diff --git a/README.md b/README.md index c024c85b..fbd6a33c 100644 --- a/README.md +++ b/README.md @@ -25,6 +25,11 @@ pattern matching (SMARTS).

+Docs +==== + +Link to Documentation: [![Documentation](https://img.shields.io/badge/GitBook-Docu-lightblue)](https://sulstice.gitbook.io/globalchem-your-chemical-graph-network/) + Installation ============ @@ -46,8 +51,6 @@ pip install global-chem-extensions ``` - - Rules ===== @@ -68,244 +71,6 @@ Quick Start Just with no dependencies, intialize the class and there you go! All the common and rare groups of the world at your disposal -#### Print the GlobalChem Structure - -```python - -gc = GlobalChem() -gc.print_globalchem_network() - ->>> - - ┌solvents─common_organic_solvents - ┌organic_synthesis─└protecting_groups─amino_acid_protecting_groups - │ ┌polymers─common_monomer_repeating_units - ├materials─└clay─montmorillonite_adsorption - │ ┌privileged_kinase_inhibtors - │ ├privileged_scaffolds - ├proteins─kinases─┌scaffolds─├iupac_blue_book_substituents - │ │ └common_r_group_replacements - │ └braf─inhibitors - │ ┌vitamins - │ ├open_smiles - ├miscellaneous─├amino_acids - │ └regex_patterns -global_chem──├environment─emerging_perfluoroalkyls - │ ┌schedule_one - │ ├schedule_four - │ ├schedule_five - ├narcotics─├pihkal - │ ├schedule_two - │ └schedule_three - ├interstellar_space - │ ┌cannabinoids - │ │ ┌electrophillic_warheads_for_kinases - │ ├warheads─└common_warheads_covalent_inhibitors - └medicinal_chemistry─│ ┌phase_2_hetereocyclic_rings - └rings─├iupac_blue_book_rings - └rings_in_drugs - -``` -#### To Access Nodes and Visualize the Internal Network: - -```python - -from global_chem import GlobalChem - -gc = GlobalChem() - -nodes_list = gc.check_available_nodes() -print (nodes_list) - ->>> -'emerging_perfluoro_alkyls', 'montmorillonite_adsorption', 'common_monomer_repeating_units', 'electrophilic_warheads_for_kinases', - -gc.build_global_chem_network(print_output=True) - ->>> -'global_chem': { - 'children': [ - 'environment', - 'miscellaneous', - 'organic_synthesis', - 'medicinal_chemistry', - 'narcotics', - 'interstellar_space', - 'proteins', - 'materials' - ], - 'name': 'global_chem', - 'node_value': , - 'parents': [] -}, -``` - -The algorithm uses a series of parents/children to connect nodes instead of "edges" as in traditional graph networks. This just makes it easier to code if -the graph database lives as a 1-dimensional with lists of parents and childrens connected in this fashion. - -#### Fetch the Node: - -```python - -gc = GlobalChem() -gc.build_global_chem_network(print_output=False, debugger=False) -node = gc.get_node('emerging_perfluoroalkyls').get_smiles() -print (node) - -``` - -#### Fetch the IUPAC:SMILES/SMARTS Data from the Node: - -```python - -gc = GlobalChem() -gc.build_global_chem_network(print_output=True, debugger=False) -smiles = gc.get_node_smiles('emerging_perfluoroalkyls') -smarts = gc.get_node_smarts('emerging_perfluoroalkyls') - -print (smiles) -``` - -#### Fetch All Data from Network: - -```python - -gc = GlobalChem() -print(gc.get_all_smiles()) -print(gc.get_all_smarts()) -print(gc.get_all_names()) - ->>> -['C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O', 'C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O' etc...] - -``` - -#### Remove a Node from the Network: - -Removes the Node and it's connections to any parents. - -```python - -gc = GlobalChem() -gc.build_global_chem_network(print_output=False, debugger=False) -gc.remove_node('emerging_perfluoroalkyls') - -``` - -#### Fetch a SMILES By IUPAC - -```python - -gc = GlobalChem() -definition = gc.get_smiles_by_iupac( -'benzene', -return_network_path=False, -return_all_network_paths=False -) - -``` -#### Set & Get the Node Value: - -If the user wants to put some metadata inside the node they can: - -```python - -gc = GlobalChem() -gc.build_global_chem_network(print_output=True, debugger=False) -gc.set_node_value('emerging_perfluoroalkyls', {'some_data': ['bunny']}) -print (gc.get_node_value('emerging_perfluoroalkyls')) - ->>> -{'some_data': ['bunny']} -``` - -#### To Create Your Own Chemical Graph Network (GN) And Check the Values - -```python - -from global_chem import GlobalChem - -gc = GlobalChem(verbose=False) -gc.initiate_network() -gc.add_node('global_chem', 'common_monomer_repeating_units') -gc.add_node('common_monomer_repeating_units','electrophilic_warheads_for_kinases') -values = gc.get_node_smiles('common_monomer_repeating_units') - -print (values) - ->>> -'3′-bromo-2-chloro[1,1′:4′,1′′-terphenyl]-4,4′′': 'ClC1=CC=CC=C1C2=CC=C(C3=CC=CC=C3)C(Br)=C2' - -values = gc.get_node_smarts('electrophilic_warheads_for_kinases') - ->>> -'propane-1,3-diyl': '[#6]-[#6]-[#6]', 'methylmethylene': '[#6H]-[#6]', - -``` - -#### Creating Deep Layer Chemical Graph Networks (DGN) & Print it out: - -This is for more advanced users of graph theory and understanding. - -```python - -gc = GlobalChem() -gc.initiate_deep_layer_network() -gc.add_deep_layer( - [ - 'emerging_perfluoroalkyls', - 'montmorillonite_adsorption', - 'common_monomer_repeating_units' - ] -) -gc.add_deep_layer( - [ - 'common_warhead_covalent_inhibitors', - 'privileged_scaffolds', - 'iupac_blue_book' - ] -) - -gc.print_deep_network() - - ->>> - ┌common_warhead_covalent_inhibitors - ┌emerging_perfluoroalkyls─├privileged_scaffolds - │ └iupac_blue_book - │ ┌common_warhead_covalent_inhibitors -global_chem─├montmorillonite_adsorption─├privileged_scaffolds - │ └iupac_blue_book - │ ┌common_warhead_covalent_inhibitors - └common_monomer_repeating_units─├privileged_scaffolds - └iupac_blue_book - -``` - -#### Compute Common Score for an IUPAC Name: - -Based on how many times a word is mentioned per object increases the common weight. The more weight the more common. -A score of 0 indicates it is "uncommon". - -``` - -Common Score Algorithm: - - 1.) Data mine the current state of GlobalChem - 2.) Get the Object Weights of Each mention - 3.) Determine the Mention Weight - 4.) Sum the Weights and That's How common it is. - -``` - -```python - -gc = GlobalChem() -gc.build_global_chem_network(print_output=False, debugger=False) -gc.compute_common_score('benzene', verbose=True) - -``` - Adding Your Own Chemical List ============================= @@ -324,58 +89,6 @@ smiles = { ``` -GlobalChem Extensions -===================== - -Applications of `GlobalChem` can be applied to a variety of cheminformatic usage. One of which is functional group analysos of -any SMILES dataset using the SMARTS patterns strings described in the data. GlobalChemExtensions have - - -#### Sunbursting - -Please navigate here for more documentation: https://github.com/Sulstice/global-chem-extensions -```python - -from global_chem_extensions.global_chem_extensions import GlobalChemExtensions - -test_set = [ - 'c1[n+](cc2n(c1OCCc1cc(c(cc1)F)F)c(nn2)c1ccc(cc1)OC(F)F)[O-]', - 'c1nc(c2n(c1OCCc1cc(c(cc1)F)F)c(nn2)c1ccc(cc1)OC(F)F)Cl', - 'c1ncc2n(c1CCO)c(nn2)c1ccc(cc1)OC(F)F', - 'C1NCc2n(C1CCO)c(nn2)c1ccc(cc1)OC(F)F', - 'C1(CN(C1)c1cc(c(cc1)F)F)Oc1cncc2n1c(nn2)c1ccc(cc1)OC(F)F', - 'c1ncc2n(c1N1CCC(C1)c1ccccc1)c(nn2)c1ccc(cc1)OC(F)F', -] - -GlobalChemExtensions().sunburst_chemical_list(test_set, save_file=False) - -``` - -

- -

- -#### PCA Analysis - -Conduct PCA Analysis with a SMILES list input. - -```python - -from global_chem.global_chem import GlobalChem -from global_chem_extensions.global_chem_extensions import GlobalChemExtensions - -gc = GlobalChem() -gc.build_global_chem_network(print_output=False, debugger=False) -smiles_list = list(gc.get_node_smiles('schedule_one').values()) - -GlobalChemExtensions().node_pca_analysis(smiles_list, save_file=False) - -``` - -

- -

- Nodes List ============== @@ -404,6 +117,7 @@ Nodes List | Schedule 3 United States Narcotics | 22 | ECFR :: 21 CFR Part 1308 - Schedules. | | Schedule 4 United States Narcotics | 77 | ECFR :: 21 CFR Part 1308 - Schedules. | | Schedule 5 United States Narcotics | 8 | ECFR :: 21 CFR Part 1308 - Schedules. | +| Pihkal | 179 | Shulgin, Alexander T., and Ann Shulgin. Pihkal: A Chemical Love Story. 1. ed., 8. print, Transform, 2010. | | Common Regex Patterns | 1 | | @@ -433,6 +147,5 @@ Citation It's on it's way - ## License [![FOSSA Status](https://app.fossa.com/api/projects/git%2Bgithub.com%2FSulstice%2Fglobal-chem.svg?type=large)](https://app.fossa.com/projects/git%2Bgithub.com%2FSulstice%2Fglobal-chem?ref=badge_large) diff --git a/global_chem/molecules.smi b/global_chem/molecules.smi deleted file mode 100644 index dfec7d68..00000000 --- a/global_chem/molecules.smi +++ /dev/null @@ -1,2109 +0,0 @@ -C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O perfluorohexanoic_acid -C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O perfluoroheptanoic_acid -C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O perfluorononanoic_acid -C(=O)(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O perfluorodecanoic_acid -C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F perfluorobutanesulfonic_acid -C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F perfluorohexanesulfonic_acid -C(=O)(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O perfluoroundecanoic_acid -CCN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 2-(N-ethyl-perfluorooctane_sulfanamido)_acetic_acid -CN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 2-(N-Methyl-perfluorooctane_sulfanamido)_acetic_acid -C1(C(O1)(F)F)(C(F)(F)F)F hexafluoropropylene_Oxide_Dimer_Acid -C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O perfluorotetradecanoic_acid -C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O perfluorotridecanoic_acid -C(C(C(=O)O)(F)F)(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F 4,8-dioxa-3H-perfluorononanoic -FC(Cl)(C(F)(C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(S(=O)(O[K])=O)F)F)F 6:2_chlorinated_polyfluorinated_ether_sulfonic_acid -FC(F)(C(F)(C(O)=O)F)C(F)(F)F perfluorobutanoic_acid -C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O perfluoro-n-pentanoic_acid -C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)O)(F)F)F)(F)F)F nafion_byproduct_2 -C(=O)(C(OC(OC(OC(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)O perfluoro-3,5,7,9-tetraoxadecanoic_acid -C(=O)(C(OC(OC(OC(OC(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O perfluoro-3,5,7,9,11-pentaoxadodecanoic_acid -C(=O)(C(C(F)(F)F)(OC(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)F)O 2,2,3,3-tetrafluoro-3-((1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl)oxy)propanoic_acid -C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F h,1h,2h,2h-perfluorooctanesulfonic_acid -C(CS(=O)(=O)O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 2-(perfluorooctyl)ethane-1-sulfonic_acid -C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F perfluoropentanesulfonic_acid -C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F perfluoroheptanesulfonic_acid -C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F perfluorononanesulfonic_acid -C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F perfluorodecanesulfonic_acid -C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)F hexafluoropropylene_oxide_trimer_acid -C1=CC(=C(C=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl 3,3′,4,4′,5-pentachlorobiphenyl -C1=CC(=C(C=C1C2=CC(=C(C=C2)Cl)Cl)Cl)Cl 3,4,3′,4′-tetrachlorobiphenyl -C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl 2,2′,4,4′,5,5′-hexachlorobiphenyl -CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O bisphenol_A -C1=CC(=C(C=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl 2,3,3′,4,4′,5′-hexachlorobiphenyl -C1=C(C=C(C(=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl 2,2′,4,4′,6,6′-hexachlorobiphenyl -C1=CC=C(C(=C1)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl 2,2′,4,4′,5,6′-hexachlorobiphenyl -C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl lindane -C1=CC=C2C=CC=CC2=C1 naphthalene -C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C4=CC2=C1 benz[e]acephenanthrylene -C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl dieldrin -CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC linuron -CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] trifluralin -CC1=CC=CC=C1 toluene -C1=CC=CC=C1 benzene -C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O bisphenol_S -c1cc(ccc1Cc2ccc(cc2)O)O bisphenol_F -C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3 benzo[a]pyrene -C1=CC(=C(C=C1Cl)Cl)OCC(=O)O 2,4-dichlorophenoxyacetic_acid -C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl clofenotane_(DDT) -C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2 pyrene -CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO deoxynivalenol_(vomitoxin) -C(C(=O)O)NCP(=O)(O)O glyphosate -CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O fumonisin-B1 -COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1 aflatoxin-B1 -C1=C(C=C(C(=C1Cl)O)Cl)Cl 2,4,6-trichlorophenol -CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C diazinon -C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C paraquat -C1=CC=C(C=C1)O phenol -C(N)P(=O)(O)O aminomethylphosphonic_acid -CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl chlorpyriphos -CC1CCCC(=O)CCCC=CC2=C(C(=CC(=C2)O)O)C(=O)O1 xearalenone -CC(C)(C=NOC(=O)NC)SC aldicarb -ClC1=CC=CC=C1C2=CC=C(C3=CC=CC=C3)C(Br)=C2 3′-bromo-2-chloro[1,1′:4′,1′′-terphenyl]-4,4′′ -C1(C2=CC3=CC=CC=C3N=C2)=CC4=CC=CC=C4N=C1 [3,3′-biquinoline]-6,6′ -C1(C2=CC=CN=C2)=NC=CC=C1 [2,3′-bipyridine]-4,5′ -C=CCC (Z)-but-1-enel - threo-(E)-3-(methoxycarbonyl)-4-methylbut-1-ene-1,4-diyl -C=C ethene-1,2-diyl -CCC propane-1,3-diyl -[CH]C methylmethylene -C=CC1=CC=CC=C1 1-phenylethylene -CCC(C=O)=O 1,2-dioxobutane -CCCC(CC=O)=O 1,3-dioxohexane -O=CC(O)=O oxyoxalyl -O=CCCC(O)=O oxysuccinyl -C12=CC=CC=C1C=CC=C2 naphthalene -C12=CCOC1=CC=CO2 2H-furo[3,2-b]pyran -C1=NC=CC=C1 pyridine -NC1(C(O)=O)CC1 1-carboxylatoethylene -N=C1CCCC1 x-iminocyclopentane -N1(C2=CC3=CN=C2)C3CCCC1 pyridine-3,5-diylpiperidine -[CH]C1=NC=CC(Cl)=C1C2=CC=CN=C2 (4-chloro[3,3′-bipyridine])methylene -O=C=C(N)SC1=CC=CC=C1 imino[1-oxo-2-(phenylsulfanyl)ethylene] -[H]O[SiH](C)C1=CC=CC=C1 methylphenylsiloxane -CCO[PH2](N)OCC diethoxyphosphazene -C/C=C1CNCCC1 piperidine-3,5-diylideneethanediylidene -O=[CH]S sulfanediylcarbonyl -C1(CC(CC2)CC3)CC32CC1 spiro[4.5]decane-2,8-diylmethylene -C1(C2)=NN=C2N1 4H-1,2,4-triazole-3,5-diylmethylene -C1(C=C2)=CC=CC2=C1C3=CC=CC=C3 (2-phenyl-1,3-phenylene)ethylene -CC1=CC=C2C=CC=CC2=C1C3=CC=C4C(Cl)=CC=CC4=C3 (5′-chloro[1,2′-binaphthalene])methylene -ClC1C=CC(C(Br)C)CC1 (6-chlorocyclohex-1-ene)(1-bromoethylene) -FC(C1=CC([CH]O)=CC=C1)(F)F oxy{[3-(trifluoromethyl)phenyl]methylene} -C1(C=C2)=CC=CC2=C1 1,3-phenyleneethylene -COC(C(OC)=CC(OC)=C1OC)=C1/C(C2=CC=CC=C2)=C/C3=CC=CC=C3 (tetramethoxy-1,4-phenylene)(1,2-diphenylethene) -O=C(C1=C2C=CC(C3=CC=C4C(OCN(C5=CC=C(C6=CC=CC=C6)C=C5)CO4)=C3)=C1)NC2=O (1,1′,3,3′-tetraoxo[5,5′-biisoindoline]-2,2′-diyl)biphenyl -C(C=C1S2)(C3=CN=CC(C4CNCCO4)=C3)=CC=C1SC5=C2C=CC=C5 morpholine-2,6-diylpyridine-3,5-diylthianthrene -C12=CC=CC=C1C=C(C3=CC=CC(C4CCCCC4)=C3)C=C2 naphthalene-1,4-phenylenecyclohexane -C1(C2=CC=CC(C3CCCC3)=C2)=CC=CN=C1 pyridine-1,4-phenylenecyclopentane -CC(N1)=NN=C1C2=NC=CC=C2 pyridine-4H-1,2,4-triazole-3,5-diylmethylene -OC1C=CC2(CCC2C3CC=CCC3)CC1 oxyspiro[3.5]nona-2,5-diene-7,1-diylcyclohex-4-ene-1,3-diyl -COC1NCCCC1 piperidine-oxymethylene -C1(OCC2=NC=CC=C2)=CC=CC=C1 pyridine-methyleneoxy-1,4-phenylene -NC(C(C1=CC=C([N+]([O-])=O)C(CCBr)=C1)=O)Cl imino(1-chloro-2-oxoethylene)(4-nitro-1,3-phenylene)(3-bromopropane) -C1(C2=C(C=C3)C(C3=C(C4=CNC=C4C5=C(C=C6)C(C6=CC=C7)=C7C=C5)C=C8)=C8C=C2)=CC=CN=C1 pyridine-acenaphthylene-3,8-diylpyrrole-diylacenaphthylene -C1(C(NC2CCCCC2)C3=CC=CC=C3)=CC=CC=N1 pyridine-(phenylmethylene)iminocyclohexane -CNCNC1=CC=CC=C1 (methylimino)methyleneimino-1,3-phenylene -C1(NC2CCC(CC3=CC=CC=C3)CC2)=CC=CC=N1 pyridine-diyliminocyclohexane(phenylmethylene) -NC(C[Si](C)(C)C)=O imino(1-oxoethylene)silanediylpropane -CCCOC(CCC1)CC1C2=CC=CN=C2 pyridine-cyclohexane-oxypropane -SCCSC(N)CC(C)C(O)=O sulfaneethylenesulfanediyl(2-amino-4-carboxypentane) -SCCSC(C(O)=O)CC(N)C sulfaneethylenesulfanediyl(4-amino-1-carboxypentane) -C1(CC2=CN=CC(C3COCCC3)=C2)=CC=CN=C1 pyridine-methylenepyridine(tetrahydropyran) -SCC(CSCCC)Cl sulfane(2-chloropropane)sulfanepropane -O=C(OC)C1=CC=CN=C1 pyridine-carbonyloxymethylene -BrC(C1CCCC(C(CCC)C)C1)C2=CC=CC=C2 1,3-phenylene(1-bromoethylene)cyclohexane(2-butylethylene) -OC(Cl)(CNCOC)Cl oxy(1,1-dichloroethylene)imino(1-oxoethylene) -SC(CC1=CC(C(C)Cl)=CC=C1)Cl sulfane(1-chloroethylene)-1,3-phenylene(1-chloroethylene) -SC(CSCCC(CCBr)Cl)I sulfane(1-iodoethylene)sulfane(5-bromo-3-chloropentane) -OCN(O)-NCCl oxymethylene-ONN-azoxy(chloromethylene) -ClC1=CC(C2=CC=C(C3=CC=C(C)C(Cl)=C3)C=C2)=CC=C1 (3-chlorobiphenyl)methylene(3-chloro-1,4-phenylene)methylene -NC1=CC(C)=CC(NC(CC=O)=O)=C1 imino(x-methyl-1,3-phenylene)iminomalonyl -OCCCCCCOC(NC1=CC(C)=C(NC=O)C=C1)=O oxyhexane-oxycarbonylimino(methylphenylene)iminocarbonyl -CC1OCC2(COC(OCCCCCCO)OC2)CO1 2,4,8,10-tetraoxaspiro[5.5]undecane-oxyhexane-1,6-diyloxy -COC1=CNC=C1CC2=CC=CN=C2 pyridine-methylenepyrrole-oxymethylene -COCNC(SC1=CC=CC(CC)=C1)=O oxymethyleneiminocarbonylsulfane-1,3-phenyleneethylene -ONCNNC oxyiminomethylenehydrazine-methylene -CC(C1)CCC1CC(C2)CCC2C(C3)NCCC3CC4NCCCC4 piperidine-methylenepiperidine-4,2-diylcyclopentane-ethylenecyclopentane-1,2-diylmethylene -OCOCNCCSCNCC 1,3-dioxa-8-thia-5,10-diazadodecane -OCOCOCNC1=CC(CNC)=CC=C1 oxymethyleneoxymethyleneoxymethyleneimino-1,3-phenylenemethyleneiminomethylene -CC(C=C1)=CC=C1OCNCOCC(C=C2)=CC=C2C3=CC=CN=C3 pyridine-1,4-phenylenemethyleneoxymethyleneiminomethyleneoxy-1,4-phenylenemethylene -SOCSCCCS(=O)(C1=CC=CC=C1)=O sulfinylmethylenesulfanediylpropane-1,3-diylsulfonyl-1,4-phenylene -OC(C1=CC=C(C(NNC(C2=CC=C(C=O)C=C2)=O)=O)C=C1)=O oxyterephthaloylhydrazine-terephthaloyl -NC1=CC=C(N=CC=CC2=CC=C(C=CCC)C=C2)C=C1 nitrilo-1,4-phenylenenitriloprop-2-en-3-yl-1-ylidene-1,4-phenyleneprop-1-en-1-yl-3-ylidene -OC(N=CCC=NC=O)=O oxycarbonylnitrilopropane-idenenitrilocarbonyl -OCCCNCSCCNC1CCCCC1 oxyethyleneiminomethylenesulfanediylethyleneiminocyclohexane -OC(C1=CC=C(C(OCCCCCC)=O)C=C1)=O iminomethyleneiminocarbonyl{2-[(2,4-dinitrophenyl)hydrazono]cyclopentane}carbonyl -NCCNC(C1/C(C(C=O)CC1)=N/NC2=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C2)=O oxyterephthaloyloxyhexane -N=C1C=CC(C=C1)=NC2=CC=C(NC3=CC=C(NC4=CC=CC=C4)C=C3)C=C2 nitrilocyclohexa-2,5-diene-idenenitrilo-1,4-phenyleneimino-1,4-phenyleneimino1,4-phenylene -CC(CC1)CCC1C=C(CC2)CCC2=CC3CCCCC3 cyclohexane-methanylylidenecyclohexane-idenemethanylylidenecyclohexane-methylene -CNC(C=C)=O methylacrylamide -COC(C=C)=O methyl_acrylate -COC(C#C)=O methyl_propiolate -N#CC(C(N)=O)=C 2-cyanoacrylamide -CN1C(C=CC1=O)=O n-methylmaleimide -O=C(C=CC1=O)N1CC n-ethylmaleimide -C/C=C/C(N)=O crotonamide -C/C=C/C(OCC)=O ethyl_crotonate -C/C=C/C#N crotononitrile -CC#CC(OC)=O methyl_methylpropiolate -CN=C=S isothiocyanatomethane -CCN=C=S isothiocyanatoethane -CC=C prop-1-ene -CC#C prop-1-yne -CC#N acetonitrile -C/C=N/\/NC(OC(C)(C)C)=O tert-butyl_(Z)-2-ethylidenehydrazine-1-carboxylate -CNC(CCl)=O n-methylchloroacetamide -CNC(C(C)Cl)=O n-methyl-2-chloropropanamide -CNC(C(C)Br)=O n-methyl-2-bromopropanamide -CC(CBr)=O bromoacetone -CC1OC1 2-methyloxirane -CF fluoromethane -CS methylsulfane -CC=O aldehyde -C#CC(N)=O propiolamide -NC(/C=C/CC(OC)=O)=O fumarate_ester -NC(C=C=C)=O allenamide -C#CC#N propiolonitrile -C#CCC(N)=O propargylamide -O=S(C12CC1C2)(C3=CC=CC=C3)=O arylsulfonyl_bicyclobutane -CBr haloalkane -CC(CCl)=O alpha-halomethyl -NC(CCl)=O alpha-haloamide -O=C(CCl)OC alpha-haloester -C1CO1 epoxide -N1CC1 aziridine -CC[N+]([O-])=O nitroalkane -C=CC(N)=O acrylamide -O=C(C)C(C#N)=C cyanoenone -O=C(C)[H] aldehyde -O=C(C)C ketone -N#CC nitrile -NC#N cyanamide -[N-]=C=S isothicyanate -CS=O sulfone -O=S(F)=O sulfonyl_fluoride -N=S(F)(F)=O sulfonimidoyl_fluoride -O=S(OCCCCC)(F)=O aryl_fluorosulfate -CC(OC)=O ester -O=S(N)=O sulfonamide -O=C(C1=CC=CC=C1B(O)O)C 2-carbonyl_arylboronic_acid -C[N+]1=CC=CO1 n-methyl_isoxazolium -O1NC1 oxaziridine -C1=CC=CC=C1 benzene -C1=CC=CN=C1 pyridine -N1CCCCC1 piperidine -N1CCNCC1 piperazine -C1CCCCC1 cyclohexane -O1CCCCC1 oxane -C1=NC=CN1 imidazole -C1CCNC1 pyrrolidine -O=C1C[C@@H]2N1C=CCS2 (R)-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one -C1CC1 cyclopropane -C1CCOC1 tetrahydrofuran -C1=NC=CS1 thiazole -C12=CC=CC=C1C=CN2 indole -C1=NC=CC=N1 diazine -O=C1N2CCS[C@@H]2C1 (R)-4-thia-1-azabicyclo[3.2.0]heptan-7-one -O=C1C=CC(C2C[C@H](CCC3)C3CC2)C(CCC)=C1 6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one -N1=NN=C[N]1 tetrazole -C1CCCC1 cyclopentane -C1=CC=CS1 thiophenyl -C12=CC=CC=C1C=CC=C2 naphthalene -C12=CC=CC=C1N=CN2 1H-benzo[d]imidazole -C12=CC=CC=C1C=CC=N2 quinoline -C12=CNC=NC1=NC=N2 1H-purine -O=C1CCC([C@@H]2C[C@H](CCC3)C3CC2)C(CCC)=C1 1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one -C1=CC=CO1 furan -N1=CN=CN1 1H-1,2,4-Triazole -C12=CC=CC=C1NC3=C(C=CC=C3)S2 10H-Phenothiazine -C12=CC=CC=C1C=NC=N2 quinazoline -C1CNCCO1 morpholine -O=C1N=CC=CN1 pyrimidin-2(1H)-one -O=C1C2=C(C=CC=C2)NC=C1 quinolin-4(1H)-one -O=C1C=CC([C@H]2CCC3[C@@H](CCC3)C2)C(CCC)=C1 (9S,14R)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one -C1=CC=NO1 isoxazole -C1=NCCN1 imidazoline -C1=CCC=CN1 1,4-dihydropyridine -O=C(N1)NC=CC1=O pyrimidine-2,4(1H,3H)-dione -O=C1N=C2C=CC=CC2=CNC1 3,4-dihydro-2H-benzo[e][1,4]diazepin-2-one -C1=CCCCC1 cyclohexene -O=C1NCCC1 pyrrolidin-2-one -O=C(CN1)NC1=O imidazolidine-2,4-dione -C1(C=CC=C2)=C2CCNC1 1,2,3,4-tetrahydroisoquinoline -O=S1(NCNC2=C1C=CC=C2)=O 3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine_1,1-dioxide -CCCC1=CC=CC=C1[C@@H]2C[C@H](CCC3)C3CC2 7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene -N1=CC=CN1 1H-pyrazole -C1(CC2)CCN2CC1 quinuclidine -C1CO1 epoxide -C1=CN=CC=N1 pyrazine -O=C1OCCN1 oxazolidinone -C1(C=CC=C2)=C2CCCC1 tetrahydronaphthalene -C1(CC(C2)C3)CC2CC3C1 adamantane -O=C(C=CN1)C2=C1N=CC=C2 1,8-naphthyridin-4(1H)-one -O=C(C(NC=N1)=C1N2)NC2=O 3,7-dihydro-1H-purine-2,6-dione -CCC[C@H]1CCCCC1[C@@H]2C[C@H](CCC3)C3CC2 hexadecahydro-1H-cyclopenta[a]phenanthrene -O=C(C(C=C(CCCC1)C1=C2)=C2C3=O)C4=C3C=CC=C4 7,8,9,10-tetrahydrotetracene-5,12-dione -C1CCC1 cyclobutane -O=C1NNC=N1 1,2-dihydro-3H-1,2,4-triazol-3-one -C1=NN=CS1 1,3,4-thiadiazole -C1NCCCCC1 azepane -C12CCCC(CC2)N1 8-azabicyclo[3.2.1]octane -O=C(N1)CCCC1=O piperidine-2,6-dione -O=C(N1)CCCC1=O 2,3-dihydro-1H-indene -C12=CC=CC=C1C=NO2 benzo[d]isoxazole -O=C1C2=C(NC=N2)N=CN1 1,9-dihydro-6H-purin-6-one -C12=CC=CC=C1C3=C(C=CC=C3)C2 9H-fluorene -C12=CC=CC=C1CCC3=C(C=CC=C3)N2 10,11-dihydro-5H-dibenzo[b,f]azepine -C12=CC=CC3=C1C(C[C@@H]4[C@@H]2CCCN4)=CN3 (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline -C1=CC=CN1 1H-pyrrole -O1CCOC1 1,3-dioxolane -[C@@H]1(C2)[C@H]2CNC1 (1R,5S)-3-azabicyclo[3.1.0]hexane -O=C1CCCC1 cyclopentanone -O=C(N1)CCC1=O pyrrolidine-2,5-dione -O=C(NN1)CC1=O pyrazolidine -O=C1N2C=CC[C@@H]2C1 (R)-1-azabicyclo[3.2.0]hept-2-en-7-one -O=C(CS1)NC1=O thiazolidine-2,4-dione -C12=CC=CC=C1C=CO2 benzofuran -C12=CC=CC=C1C=NN2 1H-indazole -O=C1NC2=CC=CC=C2C1 indolin-2-one -C12=CC=CC=C1C=CS2 benzo[b]thiophene -C12=CCCC[C@@H]1CCC=C2 (R)-1,2,3,7,8,8a-hexahydronaphthalene -C1(C=CS2)=C2CCNC1 4,5,6,7-tetrahydrothieno[3,2-c]pyridine -O=C(C=CO1)C2=C1C=CC=C2 4H-chromen-4-one -O=C(CC1)NC2=C1C=CC=C2 3,4-dihydroquino-2(1H)-one -O=C(C=CC1=O)C2=C1C=CC=C2 napthalene-1,4-dione -O=S(C1=C2C=CC=C1)(NC=N2)=O 2H-benzo[e][1,2,4]thiadiazine_1,1-dioxide -C1(N2C(CN=C3)=NN=C2)=C3C=CC=C1 4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine -C12=CC=CC=C1CC3=C(C=CC=C3)S2 9H-thioxanthene -O=C(OC1)[C@H]2[C@H]1CC3=CC4=C(C=C3C2)OCO4 (5aR,8aR)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one -C12=CC=CC=C1[C@@]34[C@H](CCC5[C@@H]3N(CC=C5)CC4)N2 (3a1S,5aS,10bS)-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole -O=C1C2=CC3[C@H](CC=CC3=O)C[C@@H]2CC4=CC=CC=C41 (4aR,5aR)-4a,5a,6,12a-tetrahydrotetracene-1,11(4H,5H)-dione -N1=NC=CN1 1H-1,2,3-triazole -O=C1NCC1 azetidin-2-one -O=C1OCC1 oxetan-2-one -C1CC1 cyclopropane -C1CC12CC2 spiropentane -C1CCC1 cyclobutane -C1CCCC1 cyclopentane -O1C=CC=C1 furan -C1=CC=CS1 thiophene -N1C=CC=C1 pyrrole -N1=CC=CC1 2H-pyrrole -N1=CCC=C1 3H-pyrrole -N1N=CC=C1 pyrazole -C1N=CC=N1 2H-imidazole -N1N=NC=C1 1,2,3-triazole -N1N=CN=C1 1,2,4-triazole -S1SC=CC1 1,2-dithiole -S1CSC=C1 1,3-dithiole -O1SCC=C1 3H-1,2-oxathiole -O1N=CC=C1 isoxazole -O1C=NC=C1 oxazole -S1C=NC=C1 thiazole -S1N=CC=C1 isothiazole -O1N=NC=C1 1,2,3-oxadiazole -O1N=CN=C1 1,2,4-oxadiazole -O1N=CC=N1 1,2,5-oxadiazole -O1C=NN=C1 1,3,4-oxadiazole -O1N=NN=C1 1,2,3,4-oxatriazole -O1N=NC=N1 1,2,3,5-oxatriazole -O1ONC=C1 3H-1,2,3-dioxazole -O1OC=NC1 1,2,4-dioxazole -O1NOC=C1 1,3,2-dioxazole -O1CON=C1 1,3,4-dioxazole -O1SC=CN1 5H-1,2,5-oxathiazole -O1CSC=C1 1,3-oxathiole -C1=CC=CC=C1 benzene -C1CCCCC1 cyclohexane -C1C=CC=CO1 2H-pyran -C1=CCC=CO1 4H-pyran -O=C1C=CC=CO1 2H-pyran-2-one -O=C1C=COC=C1 4H-pyran-4-one -O1OC=CC=C1 1,2-dioxin -O1COC=CC1 1,3-dioxin -C1=NC=CC=C1 pyridine -C1=NN=CC=C1 pyridazine -C1=NC=CC=N1 pyrimidine -C1=NC=CN=C1 pyrazine -N1CCNCC1 piperazine -N1=CN=CN=C1 1,3,5-triazine -N1=NC=NC=C1 1,2,4-triazine -N1=NN=CC=C1 1,2,3-triazine -O1N=CCC=C1 4H-1,2-Oxazine -O1CN=CC=C1 2H-1,3-Oxazine -O1C=NC=CC1 6H-1,3-Oxazine -O1N=CC=CC1 6H-1,2-Oxazine -O1C=CN=CC1 1,4-Oxazine -O1NC=CC=C1 2H-1,2-Oxazine -O1C=CNC=C1 4H-1,4-Oxazine -O1SC=CN=C1 1,2,5-Oxathiazine -O1SC=CC=N1 1,2,6-Oxathiazine -O1NC=NC=C1 1,2,4-Oxadiazine -O1C=NC=NC1 1,3,5-Oxadiazine -N1CCOCC1 morpholine -N1C=CC=CC=C1 azepine -O1C=CC=CC=C1 oxepin -S1C=CC=CC=C1 thiepin -N1=CC=CCC=N1 4H-1,2-diazepine -C12=C(CC=C2)C=CC=C1 indene -C12=CCC=C1C=CC=C2 2H-indene -C12=CC=CC=C1C=CO2 benzofuran -C12=COC=C1C=CC=C2 isobenzofuran -C12=CC=CC=C1C=CS2 benzo[b]thiophene -C12=CSC=C1C=CC=C2 benzo[c]thiophene -C12=C(NC=C2)C=CC=C1 indole -C12=C(N=CC2)C=CC=C1 3H-indole -C12=C(NC=C2)C=CC=C1 1H-indole -C12=CC=CC1=CC=CN2 cyclopenta[b]pyridine -C12=COC=CC1=CC=N2 pyrano[3,4-b]-pyrrole -C12=C(NN=C2)C=CC=C1 indazole -C12=NOC=C1C=CC=C2 benzisoxazole -C12=CC=CC=C1OC=N2 benzoxazole -C12=CON=C1C=CC=C2 2,1-benzisoxazole -C12=CC=CC=C1C=CC=C2 naphthalene -C12=C(CCCC2)C=CC=C1 1,2,3,4-tetrahydronaphthalene -C12CCCCC1=CCCC2 octahydronaphthalene -C12=CC=CC=C1OCC=C2 2H-1-benzopyran -O=C1C=CC2=CC=CC=C2O1 2H-1-benzopyran-2-one -O=C1C=COC2=CC=CC=C12 4H-1-benzopyran-4-one -O=C1C2=CC=CC=C2C=CO1 1H-2-benzopyran-1-one -O=C1C2=CC=CC=C2CCO1 3H-2-benzopyran-1-one -C12=CC=CC=C1N=CC=C2 quinoline -C12=C(C=NC=C2)C=CC=C1 isoquinoline -C12=CC=NN=C1C=CC=C2 cinnoline -C12=CN=CN=C1C=CC=C2 quinazoline -C1=CC2=C(N=C1)N=CC=C2 1,8-napthyhridine -C1=CC2=C(C=NC=C2)N=C1 1,7-napththyridine -C1=CC2=C(C=CC=N2)N=C1 1,5-napththridine -C1=CC2=C(C=CN=C2)N=C1 1,6-napthyridine -C12=CC=CC=C1OCN=C2 2H-1,3-benzoxazine -C12=CC=CC=C1OCC=N2 2H-1,4-benzoxazine -C12=CC=CC=C1CON=C2 1H-2,3-benzoxazine -C12=CC=CC=C1N=COC2 4H-3,1-benzoxazine -C12=CC=CC=C1ONC=C2 2H-1,2-benzoxazine -C12=CC=CC=C1OC=NC2 4H-1,3-benzoxazine -C12=CC=CC=C1C=C3C=CC=CC3=C2 anthracene -C12=CC=CC=C1C=CC3=CC=CC=C23 phenanthrene -C12=C3C(CC=C2)=CC=CC3=CC=C1 phenalene -C1(CC2=C3C=CC=C2)=C3C=CC=C1 fluorene -C1(NC2=C3C=CC=C2)=C3C=CC=C1 carbazole -C1(CC2=C(C=CC=C2)O3)=C3C=CC=C1 xanthene -C12=NC3=CC=CC=C3C=C1C=CC=C2 acridine -C1(C2)CCCC2C1 norpinane -C12=NC=NC=C1NC=N2 7H-purine -C12CCCCC1C3C(C(CCC4)C4CC3)CC2 steroid_ring_system -C1=CC=NC=C1 pyridine -C12=CC=CC=C1C=CN2 indole -C1=CN=CN1 imidazole -NC1=NC=CS1 thiazol-2-amine -C1=NN=NN1 tetrazole -C1=NC=NN1 1,2,4-triazole -C1=CC=CS1 thiophene -O=C1N=C(N)C=CN1 cytosine -NC1=NC=NC2=C1N=CN2 adenine -CC1=CC=C2C(C=CN2)=C1 5-methylindole -O=C(N1C)NC2=C(N=CN2)C1=O isocaffeine -SN1N=NN=C1 tetrazolethiol -C1=CC=NO1 3-methylisoxazole -CN1C=NC=C1 1-methylimidazole -CC1=NC=CN1 2-methylimidazole -NC(N1)=NC2=C(N=CN2)C1=O guanine -C12=CC=CC=C1N=CC=C2 quinoline -C1=CC=CO1 furan -NC1=C(F)C=C2C(NC=C(C(O)=O)C2=O)=N1 tosufloxacin -C12=CC=CC=C1C=CN2 indole -C12=CC=CC=C1N=CC=C2 quinoline -C12=C(C=NC=C2)C=CC=C1 isoquinoline -C12=NC=NC=C1NC=N2 purine -C12=CC=CC=C1N=CC=N2 quinoxaline -O=C1NC2=C(C=CC=C2)C=N1 quinazolinone -C12=C(CNCC2)C=CC=C1 tetrahydroisoquinoline -C12=C(NCCC2)C=CC=C1 tetrahydraquinoline -C12=CC=CC=C1OC=N2 benzoxazole -C12=CC=CC=C1C=CO2 benzofuran -CC1(C)C=CC2=CC=CC=C2O1 3,3-dimethylbenzopyran -O=C1C=COC2=C1C=CC=C2 chromone -O=C1OC2=C(C=CC=C2)C=C1 coumarin -OCC1OC(O)C(O)C(O)C1O carbohydrate -C12CCCCC1C3C(C(CCC4)C4CC3)CC2 steroid -CCCCCCCC[C@@H]1[C@H](CCC1)CCCCCCC(O)=O prostanoic_acid -O=C1CN=C(C2=CC=CC=C2)C3=C(C=CC=C3)N1 benzodiazepine -C1(C2CCNCC2)=CC=CC=C1 arylpiperidine -C1(N2CCNCC2)=CC=CC=C1 arylpiperizine -N1(CC2=CC=CC=C2)CCCCC1 benzylpiperidine -C12=CC=CC=C1C=CS2 benzothiophene -C1CC=CC=N1 dihydropyridine -C12=CC=CC=C1NC=N2 benzimidazole -C1(C2=C(C3=CC=CC=C3)C=CC=C2)=NN=NN1 biphenyltetrazole -OC(C1=CC=CC=C1N2)C2=O 3,3-hydroxy-2-oxindole -C=C1C2CCCC3C(CC3)C2OC1=O 5,7,5-lactone -C1CCCC2(CCCCO2)O1 6,6-spiroacetal -O=C1NCC=CN1 dihydropyrimidone -N12C=CC=C1C=CC=C2 indolizine -C1(C2=CC=CC=C2)=CC=CC=C1 biphenyl -O=C(NC1)C2(CCNCC2)N1C3=CC=CC=C3 triazaspirodecanone -[H]C(/N=N/CC)=O N-acylhydrazone -O=C1C=CNC1 pyrrolinone -ONC(CCC(C)=O)=O hydroxyamate -O=C1NC2CCCC2C1 trans-lactam -O=C1OC2CCCC2C1 trans-lactone -C12CNCC1CCCC2 hexahydroisoindole -O=C1N(C2CCNCC2)C3=CC=CC=C3N1 benzimidazolone -C12=C(NCC2)C=CC=C1 indoline -C12=CC=CC=C1N=C(C3=CC=CC=C3)S2 2-arylbenzothiazole -C1(NC2)=CC=CC=C1N3C2=CN=C3 imidazolequinoxaline -C12=CC=CC=C1C3(CCNCC3)CC2 spiroindanylpiperidine -NC1=NN=CC=C1 aminopyridazine -O=C1NCCNC2=CNN=C21 1,4-pyrazolodiazepin-8-one -S=C(N1)SCC1=O rhodanine -O=C1C2=C(OCC=C2)C=CN1 pyranopyridone -O=C1C=CC2=CC=CC=C2N1 pyranoquinolone -O=C(N)C acetamido -O=C(C)CC(=O)O acetoacetyl -C(C)=O acetyl -C=CC(C)=O acryloyl -N[CH](C)C(C)=O alanyl -NCCC(C)=O beta-alanyl -[CH2]C=C allyl -[CH]C=C allylidene -NC=N amidino -N amino -[CH2]CCCC amyl -NC1=CC=CC=C1 anilino -NC1=CC=C(OC)C=C1 anisidino -NC1=CC=CC=C1[C](C)=O anthranoyl -[AsH3] arsino -O=CCCCCCCCC=O azelaoyl -[N]=[N+]=[N-] azido -C/N=N/C azo -C/N=[N+]([O-])/C azoxy -[CH]C1=CC=CC=C1 benzal -O=C(N)C1=CC=CC=C1 benzamido -OC(C1=CC=CC=C1)C2=CC=CC=C2 benzhydrol -[O]CC1=CC=CC=C1 benzoxy -O=[C]C1=CC=CC=C1 benzoyl -[CH2]C1=CC=CC=C1 benzyl -[CH]C1=CC=CC=C1 benzylidene -[C]C1=CC=CC=C1 benzylidyne -C1(C2=CC=CC=C2)=CC=CC=[C]1 biphenylyl -C12=C3C=CC=CC3=C1C=CC=C2 biphenylene -[O]CCCC butoxy -[O]C(C)CC sec-butoxy -[O]C(C)(C)C tert-butoxy -[CH2]CCC butyl -CC[CH]C sec-butyl -C[C](C)C tert-butyl -O=[C]CCC butyryl -CCCCC[C]=O caproyl -CCCCCCCC capryl -CCCCCCC[C]=O capryloyl -C(=O)(N)N carbamido -N[C]=O carbamoyl -N[C]=O carbamyl -NN[C]=O carbazoyl -O=[C]OCC carbethoxy -[CH]=O carbonyl -O=[C]O carboxy -[CH2]CCCCCCCCCCCCCCC cetyl -O=[C]Cl chloroformyl -O=[C]C=CC1=CC=CC=C1 cinnamoyl -[CH2]C=CC1=CC=CC=C1 cinnamyl -[CH]C=CC1=CC=CC=C1 cinnamylidene -OC1=CC=C(C)C=C1 cresyl -C/C=C/[C]=O crotonoyl -[CH2]/C=C/C crotyl -[NH]C#N cyanamido -[O]C#N cyanato -[C]#N cyano -O=[C]CCCCCCCC[C]=O decanedioyl -CCCCCCCCC[C]=O decanoyl -[N+]=[N-] diazo -N=NN diazoamino -[SiH2][SiH3] disilanyl -[O][SiH2]O[SiH3] disiloxanyloxy -O=[S]S=O disulfinyl -[S]S dithio -CCCCCC[C]=O enanthoyl -[O] epoxy -[CH]=C ethenyl -[C]#C ethynyl -[O]CC ethoxy -[CH2]C ethyl -C=C ethylene -[CH]C ethylidene -[S]CC ethylthio -O=C[NH] formamido -[CH]=O formyl -O=CO furmaroyl -[CH2]C1=CC=CO1 furfuryl -[CH]C1=CC=CO1 furfurylidene -N[C@@H](CC[C]=O)[C]=O glutamoyl -O=[C]CCC[C]=O glutaryl -[NH]C(CN)=O glycylamino -OC[C]=O glycoloyl -NC[C]=O glycyl -O=[C]C=O glyoxyoyl -[NH]C(N)=N guanidino -N=[C]N guanyl -CCCCCCCCCCCCCCCC[C]=O heptadecanoyl -CCCCCCC([NH])=O heptanamido -CCCCCC[C]=O.CCCCCCC([NH])=O heptanoyl -CCCCCCCCCCCCCCC[C]=O.CCCCCC[C]=O.CCCCCCC([NH])=O hexadecanoyl -CCCCCC hexamethylene -O=[C]CCCC[C]=O hexanedioyl -[CH2]CNC(C1=CC=CC=C1)=O hippuryl -N[NH] hydrazino -NN hydrazo -O=[C]CCC1=CC=CC=C1 hydrocinnamoyl -[O]O hydroperoxy -[NH]O hydroxyamino -[NH] imino -I=O iodoso -O=I=O iodyl -[CH2]CC(C)C isoamyl -[CH]=C(C)C isobutenyl -[O]CC(C)C isobutoxy -[CH2]C(C)C isobutyl -[CH]C(C)C isobutylidene -O=[C]C(C)C isobutyryl -[N]=C=O isocyanato -[N+]#[C-] isocyano -[CH2]CCC(C)C isohexyl -N[C@@H]([C@@H](C)CC)[C]=O isoleucyl -[N]O isonitroso -[CH2]CC(C)C isopentyl -[CH]CC(C)C isopentylidene -C=[C]C isopropenyl -[O]C(C)C isopropoxy -C[CH]C isopropyl -C[C]C isopropylidene -N=C=S isothiocynato -O=[C]CC(C)C isovaleryl -OC(C)[C]=O lactoyl -CCCCCCCCCCC[C]=O lauroyl -[CH2]CCCCCCCCCCC lauryl -N[C@@H](CC(C)C)[C]=O leucyl -O=C(C)CC[C]=O levulinoyl -O=[C]C[C]=O malonyl -OC(C1=CC=CC=C1)[C]=O mandeloyl -[SH] mercapto -CC1=CC(C)=CC(C)=[C]1 mesityl -CC([C]=O)=C methacryloyl -[CH2]C(C)=C methallyl -N[C@@H](CCSC)[C]=O methionyl -[O]C methoxy -[CH3] methyl -[CH2] methylene -[S]C methylthio -CCCCCCCCCCCCC[C]=O myristoyl -[CH2]CCCCCCCCCCCCC myristyl -C12=CC=C[C]=C1C=CC=C2 naphthyl -C12=CC=CC=C1C=CC=C2 naphthylene -[CH2]C(C)(C)C neopentyl -[NH][N+]([O-])=O nitramino -O=[N+][O-] nitro -[NH]N=O nitrosamino -[N]=O nitroso -CCCCCCCC[C]=O nonanoyl -CCCCCCCC/C=C\CCCCCCC[C]=O oleoyl -O=[C]C=O oxalyl -[O] oxo -CCCCCCCCCCCCCCC[C]=O palmitoyl -O=C1C(C=C)[C@@]2([H])SCCN12 pentamethylene -[CH2]CCCC pentyl -CC[C](C)C tert-pentyl -[CH2]C(C1=CC=CC=C1)=O phenacyl -[CH]C(C1=CC=CC=C1)=O phenacylidene -[CH2]CC1=CC=CC=C1 phenethyl -[O]C1=CC=CC=C1 phenoxy -[C]1=CC=CC=C1 phenyl -C1=C[C]=CC=[C]1 phenylene -[PH2] phosphino -[PH2]=O phosphinyl -O=[P](O)O phospho -O=[P](O)O phosphono -O=[C]C1=CC=CC=C1[C]=O phthaloyl -[O-][N+](C1=CC([N+]([O-])=O)=CC([N+]([O-])=O)=[C]1)=O picryl -O=[C]CCCCC[C]=O pimeloyl -[N]1CCCCC1 piperidino -CC(C)(C)[C]=O pivaloyl -[CH2]/C=C(C)\C prenyl -[CH2]C#C propargyl -[CH]=CC 1-propenyl -[CH2]C=C 2-propenyl -O=[C]CC propionyl -[O]CCC propoxy -[CH2]CC propyl -[CH]CC propylidene -N1[C]=CC=C1 pyrryl -OC1=CC=CC=C1[C]=O salicyloyl -[SeH] selenyl -N[C@@H](CO)[C]=O seryl -[O][SiH3] siloxy -[SiH3] silyl -[SiH2] silyene -CC=CC=CC(O)=O sorboyl -CCCCCCCCCCCCCCCCC[C]=O stearoyl -[CH2]CCCCCCCCCCCCCCCCC stearyl -[CH]=CC1=CC=CC=C1 styryl -O=[C]CCCCCC[C]=O suberoyl -O=[C]CC[C]=O succinyl -[NH]S(=O)(O)=O sulfamino -O=[S](N)=O sulfamoyl -O=[S](C1=CC=C(N)C=C1)=O sulfanilyl -[S]O sulfeno -[SH] sulfhydryl -S=O sulfinyl -O=[S](O)=O sulfo -O=S=O sulfonyl -O=[C]C1=CC=C([C]=O)C=C1 terephthaloyl -CCCC tetramethylene -[C]1=CC=CS1 thienyl -[CH]=S thiocarbonyl -S=[C]O thiocarboxy -[S]C#N thiocyanato -S=O thionyl -N[C@@H]([C@H](O)C)[C]=O threonyl -[NH]C1=CC=C(C)C=C1 toluidino -CC1=CC=C([C]=O)C=C1 toluoyl -CC1=CC=[C]C=C1 tolyl -[C]C1=CC=CC=C1 alpha-tolyl -[CH]C1=CC=CC=C1 tolylene -O=[S](C1=CC=C(C)C=C1)=O tosyl -[NH]N[NH] triazano -CCC trimethylene -[C](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 trityl -O=[C]CCCC valeryl -N[C@@H](C(C)C)[C]=O valyl -[CH]=C vinyl -[C]=C vinylidene -[NH]C1=CC=C(C)C=C1C xylidino -CC1=CC=[C]C(C)=C1 xylyl -NCC1=CC=CC(CN)=C1 xylylene -O water -OC methanol -N ammonia -Cl hydrogen_chloride -F hydrogen_fluoride -CC ethane -C#N hydrogen_cyanide -C(=O)O formic_acid -Br hydrogen_bromide -C(F)(F)F fluroform -C(C)C propane -Cc1ccccc1 toulene -c1cccnc1 pyridine -N(C)C dimethylamine -OCC ethanol -C(N)=O formamide -N1CCOCC1 morpholine -[N+](=O)[O-] nitro -C(C)(C)C isobutane -c1ccc(OC)cc1 anisole -c1ccc(F)cc1 flurobenzene -C1CCCCC1 cyclohexane -CC(=O)O acetic_acid -C(=O)OC methyl_formate -CCCC butane -NC(C)=O acetamide -NC methanamine -C(C)=O acetaldehyde -c1ccc(Cl)cc1 chlorobenzene -N1CCN(C)CC1 1-methylpiperazine -OCc1ccccc1 phenylmethanol -CCc1ccccc1 ethylbenzene -N1CCCCC1 piperidine -c1cccs1 thiophene -C1CC1 cyclopropane -Oc1ccccc1 phenol -Nc1ccccc1 aniline -S(C)(=O)=O hydrosulfonylmethane -N1CCNCC1 piperazine -N1CCCC1 pyrrolidine -CN1CCOCC1 4-methylmorpholine -I hydrogen_iodide -C(=O)OCC ethyl_formate -S(N)(=O)=O sulfonic_amide -NCc1ccccc1 phenylmethanamine -C(=O)NC N-methylformamide -CN(C)C trimethylamine -C(=O)N(C)C N,N-dimethylformamide -SC thiol -C(=O)c1ccccc1 benzaldehyde -CN1CCCCC1 1-methylpiperidine -C1CCCC1 cyclopentane -C(=O)NO N-hydroxyformamide -c1cncnc1 pyrimidine -c1ccco1 furan -CCN ethanamine -c1ccc(C#N)cc1 benzonitrile -CCC(=O)O propionic_acid -OC(C)C propan-2-ol -NS(C)(=O)=O methanesulfonamide -CCCCC pentane -C(=O)N1CCOCC1 morpholine-4-carbaldehyde -OC(F)(F)F trifluoromethanol -COC methoxymethane -NC1CCCCC1 cyclohexanamine -C=O formaldehyde -C(=O)Nc1ccccc1 N-phenylformamide -OCCCC butan-1-ol -c1cnccn1 pyrazine -c1ccc2ccccc2c1 naphthalene -OCCC propan-1-ol -NC(=O)c1ccccc1 benzamide -c1cnn(C)c1 1-methyl-1H-pyrazole -C(=O)NCc1ccccc1 N-benzylformamide -n1ccnc1 1H-imidazole -NC(C)C propan-2-amine -c1ccc2c(c1)OCO2 1,3-Benzodioxole -CN1CCCC1 1-methylpyrrolidine -CC1CCCCC1 methylcyclohexane -C#C ethyne -c1ccc(OC)nc1 2-methoxypyridine -CCN(C)C N,N-dimethylethanamine -c1nccs1 thiazole -c1ccc(Br)cc1 bromobenzene -Cc1ccncc1 4-methylpyridine -OCCOC 2-methoxyethan-1-ol -CCCCCC hexane -C1CCOCC1 Tetrahydropyran -c1cn[nH]c1 1H-pyrazole -Cn1ccnc1 1-methyl-1H-imidazole -c1ccc(C(=O)O)cc1 benzoic_acid -B(O)O boronic_acid -OCC(=O)O 2-hydroxyacetic_acid -C=C ethene -C(=O)N1CCCCC1 piperidine-1-carbaldehyde -C=Cc1ccccc1 styrene -Cc1ccc(F)cc1 1-fluoro-4-methylbenzene -OCCO ethylene_glycol -OCCN(C)C 2-(dimethylamino)ethan-1-ol -c1ccc(C(F)(F)F)cc1 (trifluoromethyl)benzene -N(CC)CC diethylamine -C(=O)NC1CCCCC1 N-cyclohexylformamide -c1nc2ccccc2s1 benzothiazole -CC1CC1 methylcyclopropane -CN(CC)CC N-ethyl-N-methylethanamine -c1nc2ccccc2[nH]1 1H-benzoimidazole -C(=O)NC(C)C N-isopropylformamide -NCCO 2-aminoethan-1-ol -C(=O)NCCO N-(2-hydroxyethyl)formamide -c1ccc2c(c1)OCCO2 2,3-dihydrobenzo[b][1,4]dioxine -c1cc2ccccc2s1 benzothiophene -CCCc1ccccc1 propylbenzene -C(=O)N1CCCC1 pyrrolidine-1-carbaldehyde -CN1CCN(C)CC1 1,4-dimethylpiperazine -C(=O)NCC N-ethylformamide -OCCN1CCOCC1 2-morpholinoethan-1-ol -CCN1CCOCC1 4-ethylmorpholine -c1c[nH]c2ccccc12 indole -c1cnc2ccccc2c1 quinoline -OCCCN(C)C 3-(dimethylamino)propan-1-ol -Cc1cccnc1 3-methylpyridine -C1CCC1 cyclobutane -C(=N)N formimidamide -c1cc2ccccc2o1 benzofuran -Cc1ccc(OC)cc1 1-methoxy-4-methylbenzene -Cc1ccccn1 2-methylpyridine -CC#N acetonitrile -c1ccc(Cl)c(Cl)c1 1,2-dichlorobenzene -c1ccc(N(C)C)cc1 N,N-dimethylaniline -S(=O)(=O)c1ccccc1 hydrosulfonylbenzene -CNC(C)=O N-methylacetamide -S hydrogen_sulfide -NCCc1ccccc1 2-phenylethan-1-amine -OCCN1CCCC1 2-(pyrrolidin-1-yl)ethan-1-ol -CCOC methoxyethane -c1ccc(OC)c(OC)c1 1,2-dimethoxybenzene -c1ccc([N+](=O)[O-])cc1 nitrobenzene -C#Cc1ccccc1 ethynylbenzene -C(=O)Nc1cccnc1 N-(pyridin-3-yl)formamide -OCCN1CCCCC1 2-(piperidin-1-yl)ethan-1-ol -c1ccc(S(N)(=O)=O)cc1 benzenesulfonamide -CCN1CCCC1 1-ethylpyrrolidine -c1cc[nH]n1 pyrazole -OCCCN1CCCCC1 3-(piperidin-1-yl)propan-1-ol -C(=O)N(CC)CC N,N-diethylformamide -c1ccc(C(C)=O)cc1 acetophenone -c1nc2ccccc2o1 benzooxazole -C(=O)N1CCN(C)CC1 4-methylpiperazine-1-carbaldehyde -Sc1ccccc1 benzenethiol -NS(N)(=O)=O sulfuric_diamide -Nc1ccc(OC)cc1 4-methoxyaniline -Cc1ccc(Cl)cc1 1-chloro-4-methylbenzene -CCCN propan-1-amine -c1ccc(OCC)cc1 ethoxybenzene -C=C1SC(=S)NC1=O 5-methylene-2-thioxothiazolidin-4-one -c1ccc(F)cc1F 1,3-difluorobenzene -c1ccc(OC(F)(F)F)cc1 (trifluoromethoxy)benzene -CCCCCCC heptane -c1ccc(N)nc1 pyridin-2-amine -CCN1CCCCC1 1-ethylpiperidine -C(=O)NN formohydrazide -c1ccc(Cl)s1 2-chlorothiophene -N1CCC(O)CC1 piperidin-4-ol -c1csc(C)n1 2-methylthiazole -C(=O)NC1CC1 N-cyclopropylformamide -OCC=C prop-2-en-1-ol -NC1CCCC1 cyclopentanamine -NC(N)=O urea -CC=C prop-1-ene -c1ccc(S(C)(=O)=O)cc1 (methylsulfonyl)benzene -OC(F)F difluoromethanol -NC(=O)Cc1ccccc1 2-phenylacetamide -C(=O)c1ccc(F)cc1 4-fluorobenzaldehyde -C(=O)NCCC N-propylformamide -C(=O)NC(C)(C)C N-tert-butylformamide -c1nnn[nH]1 tetrazole -N1CCC(O)C1 pyrrolidin-3-ol -c1ccc(-c2ccccc2)cc1 biphenyl -NC1CC1 cyclopropanamine -C=NO formaldehyde_oxime -NC(=O)c1ccco1 furan-2-carboxamide -OCCCN1CCOCC1 3-morpholinopropan-1-ol -NC(=O)CC propionamide -N1CCN(CCO)CC1 2-(piperazin-1-yl)ethan-1-ol -NCc1cccnc1 pyridin-3-ylmethanamine -C=CC(=O)NO N-hydroxyacrylamide -C(=O)NCCOC N-(2-methoxyethyl)formamide -Cc1cccs1 2-methylthiophene -c1ccc(C(C)(C)C)cc1 tert-butylbenzene -NC(=O)C1CCCCC1 cyclohexanecarboxamide -Oc1ccc(F)cc1 4-fluorophenol -C#Cc1ccccn1 2-ethynylpyridine -NCc1ccc(OC)cc1 (4-methoxyphenyl)methanamine -CCCC(=O)O butyric_acid -N1CCN(C(C)=O)CC1 1-Acetylpiperazine -c1c(C)noc1C 3,5-dimethylisoxazole -n1ccnc1C 2-methyl-1H-imidazole -N1CCN(CC)CC1 1-ethylpiperazine -C12CC3CC(CC(C3)C1)C2 adamantane -Cc1cccc(Cl)c1 1-chloro-3-methylbenzene -c1ccc(F)c(F)c1 1,2-difluorobenzene -NC(=O)Nc1ccccc1 1-phenylurea -OC(C)(C)C 2-methylpropan-2-ol -Cc1ccccc1Cl 1-chloro-2-methylbenzene -C(=O)NCCc1ccccc1 N-phenethylformamide -NC(=O)c1ccncc1 isonicotinamide -CNC1CCCC1 N-methylcyclopentanamine -NCCOC 2-methoxyethan-1-amine -C(=O)CC propionaldehyde -C(=O)Nc1ccc(Cl)cc1 N-(4-chlorophenyl)formamide -c1ccc(Cl)nc1 2-chloropyridine -CCCN(C)C N,N-dimethylpropan-1-amine -C=C1SC(=O)NC1=O 5-methylenethiazolidine-2,4-dione -c1cncc(OC)c1 3-methoxypyridine -c1ncccc1C(F)(F)F 3-(trifluoromethyl)pyridine -NS(=O)(=O)c1ccc(C)cc1 4-methylbenzenesulfonamide -OCCc1ccccc1 2-phenylethan-1-ol -C(=O)NC1CCCC1 N-cyclopentylformamide -c1ccc2[nH]ncc2c1 indazole -OC1CCCC1 cyclopentanol -NC(=O)c1cccnc1 nicotinamide -CCC(C)C isopentane -S(=O)(=O)CC hydrosulfonylethane -NC(=O)OC(C)(C)C tert-butyl_carbamate -OCC1CCCO1 (tetrahydrofuran-2-yl)methanol -CC(=O)N(C)C N,N-dimethylacetamide -N1CCN(c2ccccc2)CC1 1-phenylpiperazine -C(C)(C)CO 2-methylpropan-1-ol -CCNC N-methylethanamine -c1ccc(Cl)cc1Cl 1,3-dichlorobenzene -C(=O)OC(C)(C)C tert-butyl_formate -C(=O)c1cccs1 thiophene-2-carbaldehyde -N1CCCN(C)CC1 1-methyl-1,4-diazepane -c1ccc(NC(C)=O)cc1 N-phenylacetamide -CCCCCCCC octane -Cc1ccccc1OC 1-methoxy-2-methylbenzene -N1C(=O)C=CC1=O 1H-pyrrole-2,5-dione -OS(N)(=O)=O sulfamic_acid -CN1C(=O)c2ccccc2C1=O 2-methylisoindoline-1,3-dione -C(F)(F)P(=O)(O)O (difluoromethyl)phosphonic_acid -c1ccnc(N)n1 pyrimidin-2-amine -c1nc2cc(C(N)=O)ccc2[nH]1 1H-benzo[d]imidazole-5-carboxamide -NC(C)(C)C 2-methylpropan-2-amine -C(=O)Nc1ccc(F)cc1 N-(4-fluorophenyl)formamide -c1cnco1 oxazole -OCc1cccnc1 pyridin-3-ylmethanol -Oc1cccnc1 pyridin-3-ol -NC(=O)c1ccccn1 picolinamide -OCC1CC1 cyclopropylmethanol -NC(=O)OCC ethyl_carbamate -OCCN(CC)CC 2-(diethylamino)ethan-1-ol -c1ccc(O)c(O)c1 pyrocatechol -NC(=O)C=C acrylamide -N1CCC1 azetidine -Cc1ccc(C)cc1 p-xylene -OC1CCN(C)CC1 1-methylpiperidin-4-ol -S(=O)(=O)N1CCOCC1 4-hydrosulfonylmorpholine -Cc1c[nH]cn1 4-methyl-1H-imidazole -C(=O)Nc1ccncc1 N-(pyridin-4-yl)formamide -Oc1ccc(OC)cc1 4-methoxyphenol -CF fluoromethane -CNC(=O)c1ccccc1 N-methylbenzamide -Nc1cccnc1 pyridin-3-amine -NCc1ccncc1 pyridin-4-ylmethanamine -c1ncc[nH]1 imidazole -Oc1cccc(Cl)c1 3-chlorophenol -NC(=O)NCC 1-ethylurea -c1ccc(C(=O)OC)cc1 methyl_benzoate -NC(P(=O)(O)O)P(=O)(O)O (aminomethylene)bis(phosphonic_acid) -Nc1ccncc1 pyridin-4-amine -n1cccc1 pyrrole -CNC1CC1c1ccccc1 N-methyl-2-phenylcyclopropan-1-amine -Cn1nc(OC)oc1=O 5-methoxy-3-methyl-1,3,4-oxadiazol-2(3H)-one -CS(C)(=O)=O (methylsulfonyl)methane -C1CCN(C(C)=O)CC1 1-(piperidin-1-yl)ethan-1-one -CC(=O)OC methyl_acetate -Oc1ccc(Cl)cc1 4-chlorophenol -NCCN ethane-1,2-diamine -N1CCC(C)CC1 4-methylpiperidine -C(=O)OCc1ccccc1 benzyl_formate -S(=O)(=O)N(C)C N,N-dimethylsulfonic_amide -C(=O)c1ccc(OC)cc1 4-methoxybenzaldehyde -CC(=O)NO N-hydroxyacetamide -n1cncn1 1H-1,2,4-triazole -OCCF 2-fluoroethan-1-ol -Nc1ccccc1C(N)=O 2-aminobenzamide -CCC(=O)NO N-hydroxypropionamide -c1nn[nH]n1 2H-tetrazole -OCC#C prop-2-yn-1-ol -N1CCC(CO)CC1 piperidin-4-ylmethanol -C#Cc1cccnc1 3-ethynylpyridine -C(=O)c1ccc(Cl)cc1 4-chlorobenzaldehyde -CP(=O)(O)O methylphosphonic_acid -NC(=O)C(C)C isobutyramide -NCC1CC1 cyclopropylmethanamine -N1CCC(N(C)C)C1 N,N-dimethylpyrrolidin-3-amine -C1COC(N)=N1 4,5-dihydrooxazol-2-amine -N1CCc2ccccc2C1 1,2,3,4-tetrahydroisoquinoline -c1ccc(N2CCOCC2)cc1 4-phenylmorpholine -C1=NCCN1 4,5-dihydro-1H-imidazole -NCCCO 3-aminopropan-1-ol -C(=O)C(F)(F)F 2,2,2-trifluoroacetaldehyde -SC(F)(F)F trifluoromethanethiol -CCNC(C)=O N-ethylacetamide -N(C)c1ccccc1 N-methylaniline -SCc1ccccc1 phenylmethanethiol -N1CCC(N2CCCC2)CC1 4-(pyrrolidin-1-yl)piperidine -c1nccc(C(F)(F)F)n1 4-(trifluoromethyl)pyrimidine -Cc1cccc(OC)c1 1-methoxy-3-methylbenzene -C(=O)NCCCC N-butylformamide -OCC(F)(F)F 2,2,2-trifluoroethan-1-ol -Nc1ccc(C)cc1 p-toluidine -c1cc(OC)cc(OC)c1 1,3-dimethoxybenzene -CN(C)Cc1ccccc1 N,N-dimethyl-1-phenylmethanamine -Cc1ccc2ccccc2c1 2-methylnaphthalene -C1CCCO1 tetrahydrofuran -C=CC(=O)O acrylic_acid -CNCCO 2-(methylamino)ethan-1-ol -C(=O)c1ccc(C)cc1 4-methylbenzaldehyde -Cc1c(C)n[nH]c1C(=O)O 3,4-dimethyl-1H-pyrazole-5-carboxylic_acid -CCl chloromethane -NC(=O)CCC butyramide -S(=O)(=O)c1ccc(Cl)cc1 1-chloro-4-hydrosulfonylbenzene -C(F)F difluoromethane -OCCCN1CCCC1 3-(pyrrolidin-1-yl)propan-1-ol -C1CC1c1ccccc1 cyclopropylbenzene -c1ccc(C(C)C)cc1 cumene -CC1CCCO1 2-methyltetrahydrofuran -CNC(C)C N-methylpropan-2-amine -CC(N)C(=O)O alanine -C1=CCNCC1 1,2,3,6-tetrahydropyridine -c1ccc(C(F)(F)F)nc1 2-(trifluoromethyl)pyridine -Oc1ccc(O)cc1 hydroquinone -Nc1ccc(F)cc1 4-fluoroaniline -c1ccc(OC)c(F)c1 1-fluoro-2-methoxybenzene -C(C)=NNC(N)=S 2-ethylidenehydrazine-1-carbothioamide -C(=O)c1ccco1 furan-2-carbaldehyde -NCCCC butan-1-amine -N=[N+]=N triaza-1,2-dien-2-ium -OCc1ccccn1 pyridin-2-ylmethanol -c1cc(O)cc(O)c1 resorcinol -N1CCCC(O)C1 piperidin-3-ol -NC(=O)C1CC1 cyclopropanecarboxamide -Cn1cncn1 1-methyl-1H-1,2,4-triazole -Oc1ccc(Cl)cc1O 4-chlorobenzene-1,2-diol -N(C)Cc1ccccc1 N-methyl-1-phenylmethanamine -c1cnc(N)cn1 pyrazin-2-amine -NCc1cccs1 thiophen-2-ylmethanamine -NCCN1CCOCC1 2-morpholinoethan-1-amine -N1CCS(=O)(=O)CC1 thiomorpholine_1,1-dioxide -c1ccc(OC(C)C)nc1 2-isopropoxypyridine -c1ccnnc1 pyridazine -c1ccc(F)cn1 3-fluoropyridine -c1cncc2ccccc12 isoquinoline -Nc1ccc(Cl)cc1 4-chloroaniline -N1CCCC1=O pyrrolidin-2-one -N1CCC2CN(C)CC21 5-methyloctahydropyrrolo[3,4-b]pyrrole -NC(=O)c1ccc(OC)cc1 4-methoxybenzamide -Oc1cccc(C)c1 m-cresol -B1OC(C)(C)C(C)(C)O1 4,4,5,5-tetramethyl-1,3,2-dioxaborolane -NCCN(C)C N1,N1-dimethylethane-1,2-diamine -NC(=S)Nc1ccccc1 1-phenylthiourea -Cc1ccc(C(F)(F)F)cc1 1-methyl-4-(trifluoromethyl)benzene -c1ccc(OC(C)C)cc1 isopropoxybenzene -N1CCC(OC)CC1 4-methoxypiperidine -Cc1ccc(Cl)c(Cl)c1 1,2-dichloro-4-methylbenzene -NC(=O)Nc1ccc(Cl)cc1 1-(4-chlorophenyl)urea -Nc1nccs1 thiazol-2-amine -c1ccc(C)c(C)c1 o-xylene -c1nnc(C)o1 2-methyl-1,3,4-oxadiazole -Cc1cccc(F)c1 1-fluoro-3-methylbenzene -COCc1ccccc1 (methoxymethyl)benzene -NN hydrazine -NC(=O)NC1CCCCC1 1-cyclohexylurea -SCC ethanethiol -CCCCC(=O)NO N-hydroxypentanamide -NC(=O)c1cccs1 thiophene-2-carboxamide -C(=O)NCC1CC1 N-(cyclopropylmethyl)formamide -CCN1CCCC1C 1-ethyl-2-methylpyrrolidine -OCc1ccncc1 pyridin-4-ylmethanol -CCN(CC)CC triethylamine -C(O)=CC(=O)C(=O)O 4-hydroxy-2-oxobut-3-enoic_acid -C(=O)c1ccncc1 isonicotinaldehyde -CC(F)(F)F 1,1,1-trifluoroethane -N=C=S isothiocyanic_acid -P(=O)(O)O phosphonic_acid -C(=O)C=C(O)C(=O)O 2-hydroxy-4-oxobut-2-enoic_acid -CN(C)C1CCNCC1 N,N-dimethylpiperidin-4-amine -N1CCN(c2ccccn2)CC1 1-(pyridin-2-yl)piperazine -C1=CN=CN1 imidazole -OCCN1N=CC=C1 pyrazole-1-ethanol -C#N acetonitrile -CC(C)(C)C1=NC=CS1 2-(tert-butyl)thiazole -C1=CC=NC=C1 pyridine -CC(C)N1N=CC=C1 1-isopropyl-pyrazole -C12=CC=CC=C1CNC2 isoindoline -C12=CC=CN=C1C=CN2 pyrrolopyridine -C12=NC=CC=C1C=CN2 1H-pyrrolo[2,3-b]pyridine -C1=CN=CN=C1 pyrimidine -C12=CC=CC=C1CNC=N2 3,4-dihydroquinazoline -C12=NC=CC=C1C=NC=N2 1,3,8-Triazanaphthalene -C1(SC=N2)=C2C=CC=C1 benzothiazole -C12=NC=CC=C1N=CCN2 3,4-dihydropyrido[2,3-b]pyrazine -C1COCCN1 morpholine -NC1=NC=CC=N1 2-aminopyrimidine -C12=CC=CC=C1N=CN2 benzoimidazole -C1(C2=NC=CN2)=CC=CC=N1 pyridinyl_imidazole -C12=NC=NC=C1C=CC=C2 quinazoline -C1=CC=CC=C1 benzene -C=C1CCC2=C1C=CC=C2 1-methyleneindan -CC1=CC=CC=C1 toluene -FC1=CC=CC=C1 fluorobenzene -CSC1=CC=CC=C1 methyl(phenyl)sulfane -CC1=CC=CC=N1 2-methylpyridine -C12=CC=CC=C1OC3C2C3 1a,6b-dihydro-1H-cyclopropa[b]benzofuran -C12=CC=CC=C1CCCC2 1,2,3,4-tetrahydronaphthalene -FC1=CC(F)=CC=C1 1,3-difluorobenzene -FC1=CC=C(Cl)C=C1 1-chloro-4-fluorobenzene -O=S(CCC)=O sulfonylpropane -O=S(C)(N)=O methanesulfonamide -O=S(C1=C(F)C=CC=C1F)=O 1,3-difluoro-2-sulfonylbenzene -O=S(N(CC)C)=O N-ethyl-N-methylsulfonic_amide -O=S(CCC)(N)=O propanesulfonamide -O=S(N1CCCC1)=O 1-hydrosulfonylpyrrolidine -C#CCC1=CC=CC=C1 prop-2-yn-1-ylbenzene -CCC(C)(C)C neohexane -FC(F)(F)C1=CC=CC=C1 (trifluoromethyl)benzene -ClC1=CN=CC=C1C(F)(F)F 3-chloro-4-(trifluoromethyl)pyridine -C1(N2N=CC=C2)=CC=CC=C1 1-phenyl-1H-pyrazole -FC(F)(F)C1=CC=NC=C1 4-(trifluoromethyl)pyridine -CC(C)(N)C1=CC=CC=C1 2-phenylpropan-2-amine -CC1=CC=C(N=CN2)C2=C1 6-methyl-1H-benzoimidazole -CC(C(F)(F)F)(C)C1=CC=NO1 5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazole -CN(C)CCOC1=CC=CC=C1 N,N-dimethyl-2-phenoxyethan-1-amine -O=C(N)C1CC1 cyclopropanecarboxamide -ClC1=CC=CC=C1 chlorobenzene -COC(NC(C)(C)C)=O methyl_tert-butylcarbamate -C1CCCCO1 tetrahydro-2H-pyran -C1(C2CC2)=NC=CC=N1 2-cyclopropylpyrimidine -CCN1CCCCC1 1-ethylpiperidine -C12=CC=CC=C1C=CN2 indole -C12=CC=CC=C1C=CC=N2 quinoline -C1(N2CCNCC2)=CC=CC=C1 phenylpiperazine -C1(C2=CC=CC=C2)=CC=CC=C1 biphenyl -C12=CC=CC=C1NC=N2 benzimidazole -C12=CC=CC=C1C=NC=N2 quinazoline -C12=NC=NC=C1NC=N2 purine -C12=CC=CC=C1CCN2 indoline -C12=CC=CC=C1C=NC=C2 isoquinoline -N1(CC2=CC=CC=C2)CCCCC1 benzylpiperidine -NC1=CC=CN=N1 aminopyridazine -C1(C2CCNCC2)=CC=CC=C1 4-phenylpiperidine -O=C1C=COC2=CC=CC=C21 chromone -O=C1NC=NC2=CC=CC=C21 4-hydroxyquinazoline -C12=CC=CC=C1SC=C2 benzothiophene -C12=CC=CC=C1OC=C2 benzofuran -C12=CC=CC=C1N=CC=N2 quinoxaline -C12=CC=CC=C1OC=N2 benzo[d]oxazole -C12=CC=CC=C1CCNC2 1,2,3,4-tetrahydroisoquinoline -O=C(N1)SCC1=O thiazolidine-2,4-dione -C12=CC=CC=C1CCCN2 1,2,3,4-tetrahydroquinoline -O=C1OC2=CC=CC=C2C=C1 2H-chromen-2-one -O=C1N(C2CCNCC2)C3=CC=CC=C3N1 1-(piperidin-4-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one -C1(C=CC=C2)=C2NC(C=CC=C3)=C3C=N1 5H-dibenzo[b,e][1,4]diazepine -O=C1NC=CCN1 3,4-dihydropyrimidin-2(1H)-one -S=C1NC=CCN1 3,4-dihydropyrimidine-2(1H)-thione -OCC1OC(O)C(O)C(O)C1O 6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol -O=C(NC1)C2(CCNCC2)N1C3=CC=CC=C3 1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one -C1=CNC=CC1 1,4-dihydropyridine -C1(C2=CC=CC=C2C3=NN=NN3)=CC=CC=C1 2-(tetrazol-5-yl)biphenyl -CC(=O)O acetic_acid -CC(=O)C acetone -CC#N acetonitrile -C1=CC=CC=C1 benzene -CC(C)(C)O tert-butyl_alcohol -CC(C)(C)OC tert-butyl_methyl_ether -CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C butylated_hydroxytoluene -C(Cl)(Cl)Cl chloroform -C1COCCOCCOCCOCCOCCO1 18-crown-6 -C1CCCCC1 cyclohexane -C(CCl)Cl 1,2-dichloroethane -C(Cl)Cl dichloromethane -CCOCC diethyl_ether -COCCOCCOC diglyme -COCCOC 1,2-dimethoxyethane -CC(=O)N(C)C dimethylacetamide -CN(C)C=O dimethylformamide -CS(=O)C dimethyl_sulfoxide -C1COCCO1 dioxane -CCO ethanol -CCOC(=O)C ethyl_acetate -CCC(=O)C ethyl_methyl_ketone -C=C ethylene -C(CO)O ethylene_glycol -C(C(F)(F)F)OCC(F)(F)F grease -CCCCCC n-hexane -CC1=C(C(=C(C(=C1C)C)C)C)C hexamethylbenzene -CN(C)P(=O)(N(C)C)N(C)C hexamethylphosphoramide -O([Si](C)(C)C)[Si](C)(C)C hexamethyldisiloxane -CO methanol -C[N+](=O)[O-] nitromethane -CCCCC n-pentane -CC=C propylene -CC(C)O 2-propanol -C1=CC=NC=C1 pyridine -C1=CNC=C1 pyrrole -C1CCNC1 pyrrolidine -C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C silicon_grease -C1CCOC1 tetrahydrofuran -CC1=CC=CC=C1 toluene -CCN(CC)CC triethylamine -O=COC(C)(C)C tert-butyloxycarbonyl -C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 trityl -COC1=CC(C(C)(OC=O)C)=CC(OC)=C1 3,5-dimethoxyphenylisoproxycarbonyl -CC(C)(OC=O)C(C=C1)=CC=C1C2=CC=CC=C2 2-(4-biphenyl)isopropoxycarbonyl -SC1=CC=CC=C1[N+]([O-])=O 2-nitrophenylsulfenyl -O=COC(C)(C)C boc -C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 trt -COC1=CC(C(C)(OC=O)C)=CC(OC)=C1 ddz -CC(C)(OC=O)C(C=C1)=CC=C1C2=CC=CC=C2 bpoc -SC1=CC=CC=C1[N+]([O-])=O nps -O=COCC1C2=C(C3=C1C=CC=C3)C=CC=C2 9-fluorenylmethoxycarbonyl -O=COCCS(=O)(C1=CC=C([N+]([O-])=O)C=C1)=O 2-(4-nitrophenylsulfonyl)ethoxycarbonyl -O=COCC1=CC2=CC=CC=C2S1(=O)=O (1,1-dioxobenzo[b]thiophene-2-yl)methyloxycarbonyl -O=COCC1=CC2=CC=C3C=CC=CC3=C2S1(=O)=O (1,1-dioxonaptho[1,2-b]thiophene-2-yl)methyloxycarbonyl -CC(C)C/C=C1C(CC(C)(C)CC\1=O)=O 1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)-3-methylbutyl -CC1=CC(C2COC=O)=C(C=C1)C3=C2C=C(C(C)(C)C)C=C3 2,7-di-tert-butyl-fmoc -FC1=CC2=C(C(C=CC=C3)=C3C2COC=O)C=C1 2-fluoro-fmoc -O=COCC1C2=C(C=CC=C2)C3=C1C=C(C(CCCCCCC)=O)C=C3 2-monoisooctyl-fmoc -O=COCC1C2=C(C=CC(C(CCCCCCC)=O)=C2)C3=C1C=C(C(CCCCCCC)=O)C=C3 2,7-diisooctyl-fmoc -O=CC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1C=O tetrachlorophthaloyl -C[S+](CCOC=O)C1=CC=CC=C1 2-[phenyl(methyl)sulfonio])ethyloxycarbonyltetrafluoroborate -O=COC(S(=O)(CC)=O)C ethanesulfonylethoxycarbonyl -O=COCCS(=O)(C1=CC=C(S(=O)(O)=O)C=C1)=O 2-(4-sulfophenylsulfonyl)ethoxycarbonyl -O=COCC1C2=C(C3=C1C=CC=C3)C=CC=C2 fmoc -O=COCCS(=O)(C1=CC=C([N+]([O-])=O)C=C1)=O nsc -O=COCC1=CC2=CC=CC=C2S1(=O)=O bsmoc -O=COCC1=CC2=CC=C3C=CC=CC3=C2S1(=O)=O alpha-nsmoc -CC(C)C/C=C1C(CC(C)(C)CC\1=O)=O ivdde -CC1=CC(C2COC=O)=C(C=C1)C3=C2C=C(C(C)(C)C)C=C3 fmoc* -FC1=CC2=C(C(C=CC=C3)=C3C2COC=O)C=C1 fmoc(fmoc(2f)) -O=COCC1C2=C(C=CC=C2)C3=C1C=C(C(CCCCCCC)=O)C=C3 mio-fmoc -O=COCC1C2=C(C=CC(C(CCCCCCC)=O)=C2)C3=C1C=C(C(CCCCCCC)=O)C=C3 dio-fmoc -O=CC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1C=O tcp -C[S+](CCOC=O)C1=CC=CC=C1 pms -O=COC(S(=O)(CC)=O)C esc -O=COCCS(=O)(C1=CC=C(S(=O)(O)=O)C=C1)=O sps -O=COCC1=CC=CC=C1 benzyloxycarbonyl -O=COCC=C allyloxycarbonyl -O=S(C1=CC=CC=C1[N+]([O-])=O)=O o-nitrobenzenesulfonyl -O=S(C1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O)=O 2,4-dinitrobenzenesulfonyl -O=S(C1=NC2=CC=CC=C2S1)=O benzothiazole-2-sulfonyl -O=COCC(Cl)(Cl)Cl 2,2,2-trichloroethyloxycarbonyl -O=CSS[C]=O dithiasuccinoyl -O=COCC1=CC=C([N+]([O-])=O)C=C1 p-nitrobenzyloxycarbonyl -[N-]=[N+]=NCC(O)=O alpha-azidoacids -C#COC(C)=O proparglyoxycarbonyl -O=CCC1=CC=CC=C1[N+]([O-])=O o-nitrobenzylcarbonyl -O=COCC1=C([N+]([O-])=O)C=C(OC)C(OC)=C1 4-nitroveratryloxycarbonyl -O=COCC(C1=CC=CC=C1[N+]([O-])=O)C 2-(2-nitrophenyl)propyloxycarbonyl -O=COCC(C1=CC(OCO2)=C2C=C1[N+]([O-])=O)C 2-(3,4-methylenedioxy-6-nitrophenyl)propyloxycarbonyl -BrC1=CC=C(C2C3=C(C4=C2C=CC=C4)C=CC=C3)C=C1 9-(4-bromophenyl)-9-fluorenyl -O=COCN=[N+]=[N-] azidomethoxycarbonyl -O=C1OC(C(C(F)(F)F)C(F)(F)F)NC1 hexafluoroacetone -O=COCC1=CC=CC=C1 Z -O=COCC=C alloc -O=S(C1=CC=CC=C1[N+]([O-])=O)=O o-nbs -O=S(C1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O)=O d-nbs -O=S(C1=NC2=CC=CC=C2S1)=O bts -O=COCC(Cl)(Cl)Cl troc -O=CSS[C]=O dts -O=COCC1=CC=C([N+]([O-])=O)C=C1 pnz -C#COC(C)=O poc -O=CCC1=CC=CC=C1[N+]([O-])=O onz -O=COCC1=C([N+]([O-])=O)C=C(OC)C(OC)=C1 nvoc -O=COCC(C1=CC=CC=C1[N+]([O-])=O)C nppoc -O=COCC(C1=CC(OCO2)=C2C=C1[N+]([O-])=O)C mnppoc -BrC1=CC=C(C2C3=C(C4=C2C=CC=C4)C=CC=C3)C=C1 brphf -O=COCN=[N+]=[N-] azoc -O=C1OC(C(C(F)(F)F)C(F)(F)F)NC1 hfa -O=COCC1=CC=CC=C1Cl 2-chlorobenzyloxycarbonyl -CC1=CC=C(C(C2=CC=CC=C2)C3=CC=CC=C3)C=C1 4-methyltrityl -O=COCC1=CC=CC=C1Cl cl-z -CC1=CC=C(C(C2=CC=CC=C2)C3=CC=CC=C3)C=C1 mtt -O=C1/C(C(CC(C)C1)=O)=C\CC(C)C 1-(4,4-dimethyl-2,6-dioxocylohex-1-ylidene)-3-methylbutyl -O=CC(F)(F)F trifluoroacetyl -O=COCCS(=O)(C)=O 2-(methylsulfonyl)ethoxycarbonyl -O=CC(F)(F)F tfa -O=COCCS(=O)(C)=O msc -O=COC(SSC1=CC=CC=C1)C phenyldisulphanylethyloxycarbonyl -O=COC(SSC1=NC=CC=C1)C 2-pyridyldisulphanylethyloxycarbonyl -O=COC(SSC1=CC=CC=C1)C phdec -O=COC(SSC1=NC=CC=C1)C pydec -CC(C)C tert-butyl -ClC1=CC=CC=C1C(C2=CC=CC=C2)C3=CC=CC=C3 2-chlorotrityl -CC1=CC(OC)=CC(OC)=C1 2-4-dimethyoxybenzyl -CC(C)C1=CC=CC=C1 2-phenylisopropyl -CC1=C(OCCO2)C2=C(S1)C3=CC=CC=C3 5-phenyl-3,4-ethylenedioxythenyl -CC(C)C bu -ClC1=CC=CC=C1C(C2=CC=CC=C2)C3=CC=CC=C3 2-cl-trt -CC1=CC(OC)=CC(OC)=C1 dmb -CC(C)C1=CC=CC=C1 2-ph-pr -CC1=C(OCCO2)C2=C(S1)C3=CC=CC=C3 phenyl-edotn -CC1C2=C(C3=C1C=CC=C3)C=CC=C2 9-fluorenylmethyl -CC(CC(/C1=C(NC2=CC=C(C)C=C2)/CC(C)C)=O)(C)CC1=O 4-(N-[1-(4,4-dimethyl-2,6-dioxocylocheylidene)-3-methylbutyl]-amino)benzyl -C methyl -CC ethyl -CC(N)=O carbamoylmethyl -CC1C2=C(C3=C1C=CC=C3)C=CC=C2 fm -CC(CC(/C1=C(NC2=CC=C(C)C=C2)/CC(C)C)=O)(C)CC1=O dmab -C me -CC et -CC(N)=O cam -CC=C allyl -CC1=CC=CC=C1 benzyl -CC(C1=CC=CC=C1)=O phenacyl -CC1=CC=C([N+]([O-])=O)C=C1 p-nitrobenzyl -CCC[Si](C)(C)C 2-trimethylsilyethyl -CC(C1=CC=CC=C1)[Si](C)(C)C (2-phenyl-2-trimethylsilyl)ethyl -CC(C)([Si](C)(C)C)C 2-(trimethylsilyl)isopropyl -CC(Cl)(Cl)Cl 2,2,2-trichloroethyl -CC(C1=CC=C(O)C=C1)=O p-hydroxyphenacyl -CC1=CC(OC)=C(OC)C=C1[N+]([O-])=O 4,5-dimethyoxy-2-nitrobenzyl -C=CC(C)C 1,1-dimethylallyl -N[Co](N)(N)(N)(Cl)(Cl)N pentaaminecobalt_III -CC=C al -CC1=CC=CC=C1 bn -CC(C1=CC=CC=C1)=O pac -CC1=CC=C([N+]([O-])=O)C=C1 pnb -CCC[Si](C)(C)C tmse -CC(C1=CC=CC=C1)[Si](C)(C)C ptmse -CC(C)([Si](C)(C)C)C tmsi -CC(Cl)(Cl)Cl tce -CC(C1=CC=C(O)C=C1)=O php -CC1=CC(OC)=C(OC)C=C1[N+]([O-])=O dmnb -C=CC(C)C dma -C1CCCCC1 cyclohexyl -C[C@H]1[C@H](C(C)C)CC[C@@H](C)C1 b-menthyl -CCC(C)CC b-3-methylpent-3-yl -CC1=CC=C(OCCOCCOCCOC)C=C1 4-(3,6,9-trioxadecyl)oxybenzyl -C1CCCCC1 chx -C[CH]1[CH](C(C)C)CC[CH](C)C1 men -CCC(C)CC mpe -CC1=CC=C(OCCOCCOCCOC)C=C1 tegbz -CC1C2=C(C3=C1C=CC=C3)C=CC=C2 9-fluoroenylmethyl -CC(CC(/C1=C(NC2=CC=C(C)C=C2)/CC(C)C)=O)(C)CC1=O 4-(N-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methyl-butyl]-amino)benzyl -CCC[Si](C)(C)C trimethylsilylethyl -CC1=CC(OC)=C(OC)C=C1[N+]([O-])=O 4,5-dimethoxy-2-nitrobenzyloxycarbonyl -CC1(C)NC(C(O)=O)CO1 pseudoprolines -CC1=CC=C(OC)C=C1O 2-hydroxy-4-methoxybenzyl -CC1=CC=C(OC)C=C1OC 2,4-dimethoxybenzyl -CC1=C(OC)C=C(OC)C=C1OC 2,4,6-trimethoxybenzyl -CCC1=CNC2=C1C=CC=C2 1-methyl-3-indolylmethyl -CC1=C(OCCO2)C2=CS1 3,4-ethylene-dioxy-2-thenyl -CC1=CC=C(OC)C=C1O hmb -CC1=C(OC)C=C(OC)C=C1OC tmob -CCC1=CNC2=C1C=CC=C2 mim -CC1=C(OCCO2)C2=CS1 edot -CC1=CC=C(OC)C=C1[N+]([O-])=O 4-methoxy-2-nitro-benzyl -O=S1COC2=C1C=C(C)C(O)=C2 (6-hydroxy-3-oxido-1,3-benz[d]oxathiol-5-yl)methyl -CC1=CC(S(C)=O)=C(OC)C=C1O 2-hydroxy-4-methoxy-5-(methylsulfinyl)benzyl -CC(C)(OC(N(CCN(C(OC1=CC(OC)=CC=C1)=O)C)C)=O)C n-boc-n-methyl[2-(methylamino)ethyl]carbamoyl-hmb -C1(CC2=C(C=CC=C2)O3)=C3C=CC=C1 9-xanthenyl -CC(C1CC1)C cyclopropyldimethylcarbinyl -COC1=CC=C(C=C1)CC2=CC=C(OC)C=C2 4,4-dimethoxybenzhydryl -C1(CC2=C(C=CC=C2)O3)=C3C=CC=C1 xan -CC(C1CC1)C cpd -COC1=CC=C(C=C1)CC2=CC=C(OC)C=C2 mbh -O=S(C1=CC=C(C)C=C1)=O p-toluenesulfonyl -O=S(C1=C(C)C(CCC(C)(C)O2)=C2C(C)=C1C)=O 2,2,5,7,8-pentamethylchroman-6-sulfonyl -O=S(C1=C(C)C(C)=C(OC(C)(C)C2)C2=C1C)=O 2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-sulfonyl -CC1=C(S(=O)(NC(N)=N)=O)C(C)=CC(C)=C1 mesityl-2-sulfonyl -O=S(C1=C(C)C=C(OC)C(C)=C1C)=O 4-methoxy-2,3,6-trimethylphenylsulfonyl -O=S(C1=C(C)N(C)C2=C1C=CC=C2)=O 1,2-dimethylindole-3-sulfonyl -CC(C)(OC(/N=C(NC(OC(C)(C)C)=O)\N)=O)C w,w-bis-tert-butyloxycarbonyl -C12=CC=CC=C1CCC3C=CC=CC3=C2 5-dibenzosuberenyl -C12=CC=CC=C1CCC3=C(C=CC=C3)C2 5-dibenzosuberyl -COC(C=C1CC2)=CC=C1CC3=C2C=CC=C3 2-methoxy-5-dibenzosuberyl -O=[N+][O-] nitro -O=S(C1=CC=C(C)C=C1)=O tos -O=S(C1=C(C)C(CCC(C)(C)O2)=C2C(C)=C1C)=O pmc -O=S(C1=C(C)C(C)=C(OC(C)(C)C2)C2=C1C)=O pbf -CC1=C(S(=O)(NC(N)=N)=O)C(C)=CC(C)=C1 mts -O=S(C1=C(C)C=C(OC)C(C)=C1C)=O mtr -O=S(C1=C(C)N(C)C2=C1C=CC=C2)=O mis -CC(C)(OC(/N=C(NC(OC(C)(C)C)=O)\N)=O)C bis-boc -C12=CC=CC=C1CCC3C=CC=CC3=C2 suben -C12=CC=CC=C1CCC3=C(C=CC=C3)C2 sub -COC(C=C1CC2)=CC=C1CC3=C2C=CC=C3 mesub -O=[N+][O-] no2 -O=C(/N=C(NC(OCC1=CC=CC=C1)=O)\N)OCC2=CC=CC=C2 w,w-bis-benzyloxycarbonyl -O=C(/N=C(NC(OCC=C)=O)\N)OCC=C w,w-bis-allyloxycarbonyl -O=C(/N=C(NC(OCC1=CC=CC=C1)=O)\N)OCC2=CC=CC=C2 z -CC1=CC=C(C)C=C1 p-methylbenzyl -CC1=CC=C(OC)C=C1 p-methoxybenzyl -COC1=CC=C(C(C2=CC=CC=C2)C3=CC=CC=C3)C=C1 monomethoxytrityl -CC1=C(OC)C=C(OC)C=C1OC trimethoxybenzyl -CC1=C(C)C(C)=C(OC(C)(C)C2)C2=C1C 2,2,4,6,7-pentamethyl-5-dihydrobenzofuranylmethyl -C12CC3CC(C2)CC(C3)C1 1-adamantyl -CC1=CC=C(C)C=C1 meb -CC1=CC=C(OC)C=C1 mob -COC1=CC=C(C(C2=CC=CC=C2)C3=CC=CC=C3)C=C1 mmt -CC1=C(C)C(C)=C(OC(C)(C)C2)C2=C1C pmbf -C12CC3CC(C2)CC(C3)C1 1-ada -CCC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O 2-(2,4-dinitrophenyl)ethyl -O=COCC1C2=C(C3=C1C=CC=C3)C=CC=C2 9-fluororenylmethoxycarbonyl -CCC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O dnpe -CNC(C)=O acetamidomethyl -CNC(CC1=CC=CC=C1)=O phenylacetamidomethyl -CC(C)(S)C 5-tert-butylmercapto -SC1=NC=CC=C1[N+]([O-])=O 3-nitro-2-pyridinesulfenyl -SC1=NC=CC=C1 2-pyridinesulfenyl -FC1=C(F)C(SC2=CC=CC=C2)=C(F)C(F)=C1N(C(OCC=C)=O)C N-allyloxycarbonyl-N-[2,3,5,6-tetrafluoro-4-(phenylthio)phenyl]]aminomethyl -CC1=CC=CC=C1[N+]([O-])=O o-nitrobenzyl -CC1=CC=NC=C1 4-picolyl -O=C1C2(SCC(C(O)=O)N2)C(C3=C1C=CC=C3)=O ninhydrin -CNC(C)=O acm -CNC(CC1=CC=CC=C1)=O phacm -CC(C)(S)C sbu -SC1=NC=CC=C1[N+]([O-])=O npys -SC1=NC=CC=C1 s-pyr -FC1=C(F)C(SC2=CC=CC=C2)=C(F)C(F)=C1N(C(OCC=C)=O)C fsam -CC1=CC=CC=C1[N+]([O-])=O onb -O=C1C2(SCC(C(O)=O)N2)C(C3=C1C=CC=C3)=O nin -O=S(N1C=CN=C1)(C2=CC=C(C)C=C2)=O n-tosyl -N1(C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=CN=C1 n-trityl -COC(C=C1)=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4 n-monomethoxytrityl -CC(C=C1)=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4 n-methyltrityl -O=C(OC(C)(C)C)N1C=CN=C1 n-tert-butyloxycarbonyl -O=C(OC(C(C)C)C(C)C)N1C=CN=C1 n-2,4-dimethylpent-3-yloxycarbonyl -[N+]1(COCC2=CC=CC=C2)=CNC=C1 n-benzyloxymethyl -CC(C)(C)OC[N+]1=CNC=C1 n-tert-butoxymethyl -O=S(N1C=CN=C1)(C2=CC=C(C)C=C2)=O ntos -N1(C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=CN=C1 ntrt -COC(C=C1)=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4 nmtt -CC(C=C1)=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4 nmmt -O=C(OC(C)(C)C)N1C=CN=C1 nboc -O=C(OC(C(C)C)C(C)C)N1C=CN=C1 ndoc -[N+]1(COCC2=CC=CC=C2)=CNC=C1 nbom -CC(C)(C)OC[N+]1=CNC=C1 nbum -O=C(OC1C(C=CC=C2)=C2C3=C1C=CC=C3)N4C=CN=C4 N-9-fluorenylmethoxycarbonyl -O=C(C1=C(OC)C=CC=C1OC)N2C=CN=C2 2,6-dimethoxybenzoyl -O=C(C1=C(OC)C=CC=C1OC)N2C=CN=C2 dmbz -O=C(C1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1)N2C=CN=C2 N-2,4-dinitrophenyl -O=C(C1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1)N2C=CN=C2 dnp -C1CCCCC1 cyclohexyl; -CSi(C(C)(C)C)C tert-butyldimethylsilyl -C[Si](C(C)(C)C)C tbdms -CC(Si(C1=CC=CC=C1)C2=CC=CC=C2)(C)C tert-butyldiphenylsilyl -C#COC(C)=O propargyloxycarbonyl -CC([Si](C1=CC=CC=C1)C2=CC=CC=C2)(C)C tbdps -CC1=C(Cl)C=CC=C1Cl dcb -CC1=CC=CC=C1Br brbn -O=COCC1=CC=CC=C1Br brz -CCCCC pen -CC1=CC=C(OCCOCCOCCOC)C=C1 tegb -O=C(C(OC(C)(C)C)=O)N(C)CCNC boc-n-methyl-n-[2-(methylamino)ethyl]carbamoyl -O=C(C(OC(C)(C)C)=O)N(C)CCNC boc-nmec -C=O formyl -O=COC1CCCCC1 cyclohexyloxycarbonyl -C=O for -O=COC1CCCCC1 hoc -CC(CC1=CC=CC=C1)N2CCC(CC2)N(C3=CC=CC=C3)C(=O)C acetyl-alpha-methylfentanyl -CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C acetylmethadol -CC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 acetylfentanyl -C=CC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 acrylfentanyl -ClC1=CC=C(C(NCC2(CCCCC2)N(C)C)=O)C=C1Cl ah-7921 -CCC(=O)OC1(CCN(CC1CC=C)C)C2=CC=CC=C2 allylprodine -CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C alphaacetylmethadol -CCC1CN(CCC1(C2=CC=CC=C2)OC(=O)CC)C alphameprodine -CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)O alphamethadol -O=C(N(c1ccccc1)C3CCN(C(Cc2ccccc2)C)CC3)CC alpha-methylfentanyl -CCC(=O)N(C1CCN(CC1)C(C)CC2=CC=CS2)C3=CC=CC=C3 alpha-methylthiofentanyl -CCOC(=O)C1(CCN(CC1)CCOCC2=CC=CC=C2)C3=CC=CC=C3 benzethidine -CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C betacetylmethadol -CCC(=O)N(C1CCN(CC1)CC(C2=CC=CC=C2)O)C3=CC=CC=C3 beta-hydroxyfentanyl -CCC(=O)N(C1CCN(CC1C)CC(C2=CC=CC=C2)O)C3=CC=CC=C3 beta-hydroxy-3-methylfentanyl -CCC(=O)N(C1CCN(CC1)CC(C2=CC=CS2)O)C3=CC=CC=C3 beta-hydroxythiofentanyl -CCC1CN(CCC1(C2=CC=CC=C2)OC(=O)CC)C betameprodine -CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)O betamethadol -CCC(=O)N(C1CCN(CC1)CC(C)C2=CC=CC=C2)C3=CC=CC=C3 beta-methylfentanyl -O=C(CCC1=CC=CC=C1)N(C2CCN(CCC3=CC=CC=C3)CC2)C4=CC=CC=C4 beta′-phenylfentanyl -CCC(=O)OC1(CCN(CC1C)C)C2=CC=CC=C2 betaprodine -CCCC(=O)N(C2CCN(CCc1ccccc1)CC2)c3ccccc3 butyrylfentanyl -CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)Cl clonitazene -CC=CC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 crotonylfentanyl -C1CCC(C1)C(=O)N(C2CCN(CC2)CCC3=CC=CC=C3)C4=CC=CC=C4 cyclopentylfentanyl -C1CC1C(=O)N(C2CCN(CC2)CCC3=CC=CC=C3)C4=CC=CC=C4 cyclopropylfentanyl -CC(CN1CCOCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N4CCCC4 dextromoramide -CCC(=O)N(CC(C)N(C)CCC1=CC=CC=C1)C2=CC=CC=C2 diampromide -CCN(CC)C(C)C=C(C1=CC=CS1)C2=CC=CS2 diethylthiambutene -C1CN(CCC1(C2=CC=CC=C2)C(=O)O)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4 difenoxin -CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(C)C dimenoxadol -CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)O dimepheptanol -CC(C=C(C1=CC=CS1)C2=CC=CS2)N(C)C dimethylthiambutene -CCOC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1 dioxaphetylbutyrate -CCC(=O)C(CC(C)N1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3 dipipanone -CCN(C)C(C)C=C(C1=CC=CS1)C2=CC=CS2 ethylmethylthiambutene -CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)OCC etonitazene -CCOC(=O)C1(CCN(CC1)CCOCCO)C2=CC=CC=C2 etoxeridine -O=C(N(C1=CC=CC=C1)C2CCN(CCC3=CC=CC=C3)CC2)OCC fentanylcarbamate -CC(C)C(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=C(C=C3)F 4-fluoroisobutyrylfentanyl -O=C(CC)N(C1CCN(CCC2=CC=CC=C2F)CC1)C3=C(F)C=CC=C3 2′-fluoroortho-fluorofentanyl -C1CN(CCC1N(C2=CC=CC=C2)C(=O)C3=CC=CO3)CCC4=CC=CC=C4 furanylfentanyl -CCOC(=O)C1(CCN(CC1)CCOCC2CCCO2)C3=CC=CC=C3 furethidine -CCOC(=O)C1(CCN(CC1)C)C2=CC(=CC=C2)O hydroxypethidine -CC(C)C(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 isobutyrylfentanyl -CCN(CC)CCN1C(CC2=CC=C(OC(C)C)C=C2)=NC3=CC([N+]([O-])=O)=CC=C31 isotonitazene -CCC(=O)C1(CCN(CC1)C)C2=CC(=CC=C2)O ketobemidone -C[C@@H](CN1CCOCC1)C(c1ccccc1)(c1ccccc1)C(=O)N1CCCC1 levomoramide -C1CCC23CCN(C(C2C1)CC4=C3C=C(C=C4)O)CC(=O)C5=CC=CC=C5 levophenacylmorphan -c3ccccc3N(C(=O)COC)C1CCN(CC1)CCc2ccccc2 methoxyacetylfentanyl -CC(N(C1CCN(CCC2=CC=C(C)C=C2)CC1)C3=CC=CC=C3)=O 4′-methylacetylfentanyl -CCC(=O)N(C1CCN(CC1C)CCC2=CC=CC=C2)C3=CC=CC=C3 3-methylfentanyl -CCC(=O)N(C1CCN(CC1C)CCC2=CC=CS2)C3=CC=CC=C3 3-methylthiofentanyl -CCOC(=O)C1(CCN(CC1)CCN2CCOCC2)C3=CC=CC=C3 morpheridine -O=C(CC3=CC=CC=C3)N(C(C2=CC=CC=C2)CN1CCCC1)C mppp -c3ccccc3CC(c2ccccc2)N(CC1)CCN1C4CCCCC4 mt-45 -CCC(C(CC(C)NC)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C noracymethadol -C1CCC23CCNC(C2C1)CC4=C3C=C(C=C4)O norlevorphanol -CCC(=O)C(CCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 normethadone -CCC(=O)C(CCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3 norpipanone -COCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3F ocfentanil -O=C(N(C1=CC=CC=C1F)C2CCN(CCC3=CC=CC=C3)CC2)C=C ortho-fluoroacrylfentanyl -CCCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=C(C=C3)F ortho-fluorobutyrylfentanyl -CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3F ortho-fluorofentanyl -CC(C)C(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C3=C(F)C=CC=C3 ortho-fluoroisobutyrylfentanyl -CC(N(C1CCN(CCC2=CC=CC=C2)CC1)C3=C(C)C=CC=C3)=O ortho-methylacetylfentanyl -O=C(COC)N(C1CCN(CCC2=CC=CC=C2)CC1)C3=C(C)C=CC=C3 ortho-methylmethoxyacetylfentanyl -O=C(C(C)C)N(C1CCN(CCC2=CC=CC=C2)CC1)C3=CC=C(Cl)C=C3 para-chloroisobutyrylfentanyl -C1C(CCN(C1)CCc1ccccc1)N(c1ccc(cc1)F)C(=O)CCC para-fluorobutyrylfentanyl -CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=C(C=C3)F para-fluorofentanyl -O=C(C1=CC=CO1)N(C2CCN(CCC3=CC=CC=C3)CC2)C4=CC=C(F)C=C4 para-fluorofuranylfentanyl -O=C(CCC)N(C1CCN(CCC2=CC=CC=C2)CC1)C3=CC=C(OC)C=C3 para-methoxybutyrylfentanyl -O=C(CC)N(C1CCN(CCC2=CC=CC=C2)CC1)C3=CC=C(C)C=C3 para-methylfentanyl -O=C(C)OC1(CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 pepap -CCC(=O)C(CC(C)N1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3 phenadoxone -CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCCCC2 phenampromide -C1CCC23CCN(C(C2C1)CC4=C3C=C(C=C4)O)CCC5=CC=CC=C5 phenomorphan -CCOC(=O)C1(CCN(CC1)CCC(C2=CC=CC=C2)O)C3=CC=CC=C3 phenoperidine -O=C(C1=CC=CC=C1)N(C2CCN(CCC3=CC=CC=C3)CC2)C4=CC=CC=C4 phenylfentanyl -C1CCN(CC1)C2(CCN(CC2)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N piritramide -CCC(=O)OC1(CCCN(CC1C)C)C2=CC=CC=C2 proheptazine -CC(C)OC(=O)C1(CCN(CC1)C)C2=CC=CC=C2 properidine -CCC(=O)N(C1=CC=CC=N1)C(C)CN2CCCCC2 propiram -CC(CN1CCOCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N4CCCC4 racemoramide -C1CC(OC1)C(=O)N(C2CCN(CC2)CCC3=CC=CC=C3)C4=CC=CC=C4 tetrahydrofuranylfentanyl -CCC(=O)N(C1CCN(CC1)CCC2=CC=CS2)C3=CC=CC=C3 thiofentanyl -O=C(N(C1CCN(CCC2=CC=CC=C2)CC1)C3=CC=CC=C3)C4=CC=CS4 thiofuranylfentanyl -CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2 tilidine -CCC(=O)OC1(CC(N(CC1C)C)C)C2=CC=CC=C2 trimeperidine -CN(C)C1CCCCC1N(C)C(=O)C2=CC(=C(C=C2)Cl)Cl pinky -CCCCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 valerylfentanyl -CCCC(C)(C1CC23C=CC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OC(=O)C)O4)C)OC)O acetorphine -CC(=O)OC1CCC2C3CC4=C5C2(C1OC5=C(C=C4)OC)CCN3C acetyldihydrocodeine -CN1CCC23C4C1CC5=C2C(=C(C=C5)OCC6=CC=CC=C6)OC3C(C=C4)O benzylmorphine -C[N+]1(CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O)C.[Br-] codeinemethylbromide -C[N+]1(CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O)[O-] codeine-n-oxide -CC(C)(C1CC23C=CC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O cyprenorphine -CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3CCC4 desomorphine -CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(CC4)O dihydromorphine -CN1CCC23CC(CCC2(C1CC4=C3C(=C(C=C4)OC)OC)O)O drotebanol -CCCC(C)(C1CC23C=CC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)C)OC)O etorphine -CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CCN3C heroin -CN1CCC23C4C(CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)O hydromorphinol -CC1=CCC2C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3C methyldesorphine -CC1(CCC2C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3C)O methyldihydromorphine -C[N+]1(CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O)C.[Br-] morphinemethylbromide -CN1CCC23C4C1CC5=C2C(=C(C=C5)OS(=O)(=O)C)OC3C(C=C4)O morphinemethylsulfonate -C[N+]1(CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O)[O-] morphine-n-oxide -CCCCCCCCCCCCCC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OCC6=CC=CC=C6)CCN3C myrophine -CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)OC(=O)C6=CN=CC=C6 nicocodeine -CN1CCC23C4C1CC5=C2C(=C(C=C5)OC(=O)C6=CN=CC=C6)OC3C(C=C4)OC(=O)C7=CN=CC=C7 nicomorphine -C1CNC2CC3=C4C15C2C=CC(C5OC4=C(C=C3)O)O normorphine -CN1CCC23C4C1CC5=C2C(=C(C=C5)OCCN6CCOCC6)OC3C(C=C4)O pholcodine -CC(=O)OC1=CCC2C3CC4=C5C2(C1OC5=C(C=C4)OC)CCN3C thebacon -CCC(CC1=CNC2=CC=CC=C21)N alpha-ethyltryptamine -CC(CC1=CC(=C(C=C1OC)Br)OC)N 4-bromo-2,5-dimethoxy-amphetamine -COC1=CC(=C(C=C1CCN)OC)Br 4-bromo-2,5-dimethoxyphenethylamine -CC(CC1=C(C=CC(=C1)OC)OC)N 2,5-dimethoxyamphetamine -CCC1=CC(=C(C=C1OC)CC(C)N)OC 2,5-dimethoxy-4-ethylamphet-amine -CCCSC1=C(C=C(C(=C1)OC)CCN)OC 2,5-dimethoxy-4-(n)-propylthiophenethylamine -CC(CC1=CC=C(C=C1)OC)N 4-methoxyamphetamine -CC(CC1=CC2=C(C(=C1)OC)OCO2)N 5-methoxy-3,4-methylenedioxy-amphetamine -CC(CC1=CC(=C(C=C1OC)SC)OC)N 4-methyl-2,5-dimethoxy-amphetamine -CC(CC1=CC2=C(C=C1)OCO2)N 3,4-methylenedioxyamphetamine -CC(CC1=CC2=C(C=C1)OCO2)NC 3,4-methylenedioxymethamphetamine -CCNC(C)CC1=CC2=C(C=C1)OCO2 3,4-methylenedioxy-n-ethylamphetamine -CC(CC1=CC2=C(C=C1)OCO2)NO n-hydroxy-3,4-methylenedioxyamphetamine -CC(CC1=CC(=C(C(=C1)OC)OC)OC)N 3,4,5-trimethoxyamphetamine -CN(C)CCC1=CNC2=C1C=C(C=C2)OC 5-methoxy-n,n-dimethyltryptamine -CC(CC1=CNC2=CC=CC=C21)N alpha-methyltryptamine -CN(C)CCC1=CNC2=C1C=C(C=C2)O bufotenine -CCN(CC)CCC1=CNC2=CC=CC=C21 diethyltryptamine -CN(C)CCC1=CNC2=CC=CC=C21 dimethyltryptamine -CC(C)N(CCC1=CNC2=C1C=C(C=C2)OC)C(C)C 5-methoxy-n,n-diisopropyltryptamine -CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC ibogaine -CCN(CC)C(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C lysergicaciddiethylamide -CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O marihuana -COC1=CC(=CC(=C1OC)OC)CCN mescaline -CCCCCCC1=CC(=C2C3=C(CCC(C3)C)C(OC2=C1)(C)C)O parahexyl -COC1=CC(=CC(=C1OC)OC)CCN peyote -O=C(OC1CCCN(CC)C1)C(O)(c2ccccc2)c3ccccc3 n-ethyl-3-piperidylbenzilate -CN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O n-methyl-3-piperidylbenzilate -CN(C)CCC1=CNC2=C1C(=CC=C2)OP(=O)(O)O psilocybin -CN(C)CCC1=CNC2=C1C(=CC=C2)O psilocyn -CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O tetrahydrocannabinols -ClC(Cl)=C(Cl)Cl n-ethyl-1-phenylcyclohexylamine -c1ccccc1C3(N2CCCC2)CCCCC3 pyrrolidine-phencyclidine -C1CCC(CC1)(C2=CC=CS2)N3CCCCC3 thiophene-phencyclidine -C1CCC(CC1)(C2=CC=CS2)N3CCCC3 1-[1-(2-thienyl)cyclohexyl]pyrrolidine -CC1=CC=C(C=C1)C(=O)C(C)NC mephedrone -CCCC(C(=O)C1=CC2=C(C=C1)OCO2)N3CCCC3 mdpv -COc1cc(CC)c(cc1CCN)OC 2c-e -O(c1cc(c(OC)cc1CCN)C)C 2c-d -COc1cc(CCN)c(cc1Cl)OC 2c-c -Ic1cc(OC)c(cc1OC)CCN 2c-i -CCSc1cc(OC)c(cc1OC)CCN 2c-t-2 -CC(C)Sc1cc(OC)c(cc1OC)CCN 2c-t-4 -O(c1ccc(OC)cc1CCN)C 2c-h -[O-][N+](=O)c1cc(OC)c(cc1OC)CCN 2c-n -COC1=C(CCN)C=C(OC)C(CCC)=C1 2c-p -CC(C(=O)C1=CC2=C(C=C1)OCO2)NC methylone -CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3C(C3(C)C)(C)C ur-144 -FCCCCCN1C=C(C(C2C(C)(C)C2(C)C)=O)C3=C1C=CC=C3 5-fluoro-ur-144 -C3C4CC2CC3CC(C4)(C2)NC(=O)c(nn1CCCCC)c5c1cccc5 apinaca -CCCCCN1C=C(C2=C1C=CC(=C2)F)C(=O)OC3=CC=CC4=C3N=CC=C4 quinolin-8-yl_5-fluoro-1-pentylindole-3-carboxylate -C1=CC=C2C(=C1)C(=CN2CCCCCF)C(=O)OC3=CC=CC4=C3N=CC=C4 quinolin-8-yl1-(5-fluoropentyl)-1h-indole-3-carboxylate -CC(C)C(C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)F n-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1h-indazole-3-carboxamide -O=C(C1=NN(CCCCC)C2=C1C=CC=C2)NC(C(C)(C)C)C(N)=O n-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1h-indazole-3-carboxamide -COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)I)OC 2c-i-nbome -COc2ccccc2CNCCc(cc1OC)c(OC)cc1Cl 2c-c-nbome -COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)Br)OC 2c-b-nbome -CCNC(C)C(=O)C1=CC=C(C=C1)C 4-mec -CC1=CC=C(C=C1)C(=O)C(C)N2CCCC2 4-meppp -CCCC(C(C1=CC=CC=C1)=O)N2CCCC2 alpha-pvp -CCC(C(=O)C1=CC2=C(C=C1)OCO2)NC butylone -CCCC(C(=O)C1=CC=CC=C1)NC pentedrone -CCCC(C(=O)C1=CC2=C(C=C1)OCO2)NC pentylone -CC(C(=O)C1=CC=C(C=C1)F)NC flephedrone -FC1=CC=CC(=C1)C(C(C)NC)=O 3-fmc -CCCC(C(C1=CC2=C(C=C1)C=CC=C2)=O)N3CCCC3 naphyrone -C2CCCN2C(CC)C(=O)c1ccccc1 alpha-pbp -CC(C)C(C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CC3CCCCC3 ab-chminaca -CCCCCN1C2=CC=CC=C2C(=N1)C(=O)NC(C(C)C)C(=O)N ab-pinaca -O=C(C1=CC=CC2=C1C=CC=C2)C3=NN(CCCCCF)C4=C3C=CC=C4 thj-2201 -O=C(NC(C(N)=O)C(C)(C)C)C1=NN(CC2CCCCC2)C3=C1C=CC=C3 mab-chminaca -COC(=O)C(NC(=O)c1nn(CCCCCF)c2ccccc12)C(C)(C)C 5f-mdmb-pinaca -CC(C)C(C(=O)OC)NC(=O)C1=NN(C2=CC=CC=C21)CCCCCF 5f-amb -O=C(C1=NN(C2=C1C=CC=C2)CCCCCF)NC34CC5CC(C4)CC(C5)C3 5f-apinaca -CC(C)(C)C(C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)F adb-fubinaca -COC(=O)[C@@H](NC(=O)c1cn(CC2CCCCC2)c3ccccc13)C(C)(C)C mdmb-chmica -CC(C)(C)C(C(=O)OC)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)F mdmb-fubinaca -FC(C=C1)=CC=C1CN2N=C(C(N[C@H](C(OC)=O)C(C)C)=O)C3=CC=CC=C32 mmb-fubinaca -CCNC(C)C(=O)C1=CC2=C(C=C1)OCO2 ethylone -FCCCCCN1C=C(C(OC2=C(C=CC=C3)C3=CC=C2)=O)C4=CC=CC=C41 nm2201 -CC(C)C(C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CCCCCF 5f-ab-pinaca -O=C(NC(C)(C)C1=CC=CC=C1)C2=NN(CCCCC#N)C3=C2C=CC=C3 4-cn-cumyl-butinaca -CC(C)C(C(=O)OC)NC(=O)C1=CN(C2=CC=CC=C21)CC3CCCCC3 mmb-chmica -CC(C)(C1=CC=CC=C1)NC(=O)C2=CN(C3=C2C=CC=N3)CCCCCF 5f-cumyl-p7aica -CCCC(C(=O)C1=CC2=C(C=C1)OCO2)NCC n-ethylpentylone -O=C(N[C@H](C(OC)=O)C(C)(C)C)C1=NN(CCCCF)C2=C1C=CC=C2 4f-mdmb-binaca -CC(CC1=CC=C(C=C1)OC)NC para-methoxymethamphetamine -C(CC(=O)O)CO gamma-hydroxybutyricacid -CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3Cl mecloqualone -CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C methaqualone -C1C(OC(=N1)N)C2=CC=CC=C2 aminorex -C1CN(CCN1)CC2=CC=CC=C2 n-benzylpiperazine -CC(C(=O)C1=CC=CC=C1)N cathinone -CC(N=C(N)O1)C1C2=CC=C(C)C=C2 4,4′-dimethylaminorex -CC(CC1=CC=CC=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C fenethylline -CC(C(=O)C1=CC=CC=C1)NC methcathinone -CC1C(OC(=N1)N)C2=CC=CC=C2 (±)cis-4-methylaminorex -CC(NCC)CC1=CC=CC=C1 n-ethylamphetamine -CC(CC1=CC=CC=C1)N(C)C n,n-dimethylamphetamine -CCCCCCC(C)(C)c1ccc(c(c1)O)[C@H]2CCC[C@H](C2)O cp-47,479 -CCCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(C2)O)O cannabicyclohexanol -CCCCCN1C=C(C(C2=CC=CC3=CC=CC=C32)=O)C4=CC=CC=C41 jwh-018 -CCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43 jwh-073 -c3cccc2c3cccc2C(=O)c1cn(CCCCCC)c4c1cccc4 jwh-019 -O=C(C1=CC=CC2=C1C=CC=C2)C3=CN(C4=C3C=CC=C4)CCN5CCOCC5 jwh-200 -COc2ccccc2CC(=O)c(c3ccccc13)cn1CCCCC jwh-250 -CCCCCn3c1ccccc1c(c3)C(=O)c4c2ccccc2c(OC)cc4 jwh-081 -CCCCCn1cc(c2c1cccc2)C(=O)c3ccc(c4c3cccc4)C jwh-122 -c14ccccc1n(CCCCC)cc4C(=O)c(cc3)c2ccccc2c3Cl jwh-398 -O=C(C1=CN(CCCCCF)C2=C1C=CC=C2)C3=CC=CC4=C3C=CC=C4 am-2201 -Ic2ccccc2C(=O)c1cn(CCCCCF)c3ccccc13 am-694 -CCCCCn1cc(c2c1cccc2)C(=O)c3ccc(cc3)OC rcs-4 -COc1ccccc1CC(=O)c2cn(c3c2cccc3)CCC4CCCCC4 rcs-8 -Clc2ccccc2CC(=O)c1cn(CCCCC)c3ccccc13 jwh-203 -CC(C)(C)C(NC(C1=NN(CCCCCF)C2=C1C=CC=C2)=O)C(OCC)=O 5f-edmb-pinaca -O=C(N[C@H](C(OC)=O)C(C)(C)C)C1=CN(CCCCCF)C2=C1C=CC=C2 5f-mdmb-pica -C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C5=CC=CC=C54)CC6=CC=C(C=C6)F fub-apinaca -CC(C)(C1=CC=CC=C1)NC(=O)C2=NN(C3=CC=CC=C32)CCCCCF 5f-cumyl-pinaca -Fc1ccc(cc1)Cn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C fub-144 -CCCCC(C(=O)C1=CC=CC=C1)NCC 2-(ethylamino)-1-phenylhexan-1-one -C1(=CC=CC=C1)C(C(CCCC)N2CCCC2)=O alpha-pyrrolidinohexiophenone -CC1=CC=C(C(C(CCC)NCC)=O)C=C1 4-meap -CC1=CC=C(C(C(CCCC)N2CCCC2)=O)C=C1 4′-methyl-alpha-pyrrolidinohexanophenone -CCCCCC(C(=O)C1=CC=CC=C1)N2CCCC2 1-phenyl-2-(pyrrolidin-1-yl)heptan-1-one -CCCC(C(=O)C1=CC=C(C=C1)Cl)N2CCCC2 4′-chloro-alpha-pvp -CC(C1=CC=C(Br)C=C1)N2CCC(N3C(NC4=C3C=CC=C4)=O)CC2 brorphine -CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O codeine -CCCC(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)C)OC)O dihydroetorphine -CCOC1=C2C3=C(CC4C5C3(CCN4C)C(O2)C(C=C5)O)C=C1 ethylmorphine -CCCC(C)(C1CC23C=CC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)C)OC)O.Cl etorphinehydrochloride -CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O granulated-opium -CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=O)CC4 hydrocodone -CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(=O)CC4 hydromorphone -CC12C(=O)CCC3C14CCN(C3CC5=C4C(=C(C=C5)O)O2)C metopon -CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O morphine -C1CC2(C3CC4=C5C2(CCN3)C(C1=O)OC5=C(C=C4)O)O noroxymorphone -CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)O)O4)OC oripavine -CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O oxycodone -CN1CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@]2(O)CCC4=O)=C35 oxymorphone -CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC thebaine -CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC alfentanil -CCC(=O)OC1(CCN(CC1C)C)C2=CC=CC=C2 alphaprodine -CCOC(=O)C1(CCN(CC1)CCC2=CC=C(C=C2)N)C3=CC=CC=C3 anileridine -CCC(=O)N1C2=CC=CC=C2N(C1=O)C3CCN(CC3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5 bezitramide -CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C dextropropoxyphene -CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)OC carfentanil -CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(CC4)O dihydrocodeine -CCOC(=O)C1(CCN(CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4 diphenoxylate -CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3 fentanyl -CCC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C isomethadone -CC[C@]([H])(C(C[C@@]([H])(C)N(C)C)(c1ccccc1)c2ccccc2)OC(=O)C levo-alphacetylmethadol -CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC levomethorphan -CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O levorphanol -CC1C2CC3=C(C1(CCN2C)C)C=C(C=C3)O metazocine -CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2 methadone -CC(CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)N(C)C methadone-intermediate -O=C(O)C(c1ccccc1)(c2ccccc2)C(C)CN3CCOCC3 moramide-intermediate -COC1=C(SC=C1)CNCCC2(CCOC3(C2)CCCC3)C4=CC=CC=N4 oliceridine -O=C(C1(CCN(CC1)C)C2=CC=CC=C2)OCC pethidine -CN1CCC(CC1)(C#N)c2ccccc2 pethidine-intermediate-a -O=C(OCC)C2(c1ccccc1)CCNCC2 pethidine-intermediate-b -CN1CCC(CC1)(C2=CC=CC=C2)C(=O)O pethidine-intermediate-c -CC1C2CC3=C(C1(CCN2CCC4=CC=CC=C4)C)C=C(C=C3)O phenazocine -CCOC(=O)C1(CCN(CC1)CCCNC2=CC=CC=C2)C3=CC=CC=C3 piminodine -CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC racemethorphan -CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O racemorphan -CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC remifentanil -CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC sufentanil -CCC(C1=CC(=CC=C1)O)C(C)CN(C)C tapentadol -COCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)C(=O)OC thiafentanil -CC(CC1=CC=CC=C1)N amphetamine -CC(CC1=CC=CC=C1)NC methamphetamine -CC1C(OCCN1)C2=CC=CC=C2 phenmetrazine -COC(=O)C(C1CCCCN1)C2=CC=CC=C2 methylphenidate -CC(CC1=CC=CC=C1)NC(=O)C(CCCCN)N lisdexamfetamine -CCC1(C(=O)NC(=O)NC1=O)CCC(C)C amobarbital -CCC1(CCC(=O)NC1=O)C2=CC=CC=C2 glutethimide -CCCC(C)C1(C(=O)NC(=O)NC1=O)CC pentobarbital -C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3 phencyclidine -CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C secobarbital -CCCCCCC(C)(C)C1=CC(=C2C3CC(=O)CCC3C(OC2=C1)(C)C)O nabilone -CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O dronabinol -CC(=O)CC1=CC=CC=C1 phenylacetone -C1CCC(CC1)(C2=CC=CC=C2)N 1-phenylcyclohexylamine -C1CCC(CC1)(C#N)N2CCCCC2 1-piperidinocyclohexanecarbonitrile -C1CN(CCC1NC2=CC=CC=C2)CCC3=CC=CC=C3 4-anilino-n-phenethylpiperidine -CCC(=O)N(C1CCNCC1)C2=CC=CC=C2 norfentanyl -CC(CC1=CC=CC=C1)N(C)CC2=CC=CC=C2 benzphetamine -CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2 chlorphentermine -CC(C)(CC1=CC=CC=C1Cl)N clortermine -CC1C(OCCN1C)C2=CC=CC=C2 phendimetrazine -CCC1(C(=O)NC(=O)NC1=O)CCC(C)C amobarbital -CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C secobarbital -CCCC(C)C1(C(=O)NC(=O)NC1=O)CC pentobarbital -CC(CC(C)(C)O)OC(C(Cl)(Cl)Cl)O chlorhexadol -CCC(CC)(CNC(=O)CCCO)C1=CC(=CC=C1)OC embutramide -CNC1(CCCCC1=O)C2=CC=CC=C2Cl ketamine -CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)O lysergicacid -CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)N lysergicacidamide -CCC1(C(=O)C(CNC1=O)C)CC methyprylon -C1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4 perampanel -CCC(CC)(S(=O)(=O)CC)S(=O)(=O)CC sulfondiethylmethane -CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC sulfonethylmethane -O=S(=O)(C(C)(C)S(=O)(=O)CC)CC sulfonmethane -CCNC1(CCCCC1=O)C2=CC=CS2 tiletamine -C=CCN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O nalorphine_9400 -CC1=NN(C2=C1C(=NCC(=O)N2C)C3=CC=CC=C3F)C flupyrazapon -CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O buprenorphine -CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C dextropropoxyphene -CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol -CC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C alfaxalone -CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4 alprazolam -CCC1(C(=O)NC(=O)NC1=O)CC barbital -CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C brexanolone -C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3 bromazepam -CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC(=O)N(C)C)C3=CC=CC=C3 camazepam -CCCC(C)(COC(=O)N)COC(=O)NC(C)C carisoprodol -C[N+](C)(C)CC(=O)[O-].C(C(Cl)(Cl)Cl)(O)O chloralbetaine -C(C(Cl)(Cl)Cl)(O)O chloralhydrate -CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O chlordiazepoxide -CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 clobazam -C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl clonazepam -C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)O clorazepate -CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=CC=C3Cl)C clotiazepam -C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl cloxazolam -C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl delorazepam -CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 diazepam -CC1=CC(=O)N(N1C)C2=CC=CC=C2.C(C(Cl)(Cl)Cl)(O)O.C(C(Cl)(Cl)Cl)(O)O dichloralphenazone -C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4 estazolam -CCC(C=CCl)(C#C)O ethchlorvynol -O=C(OC1(C#C)CCCCC1)N ethinamate -CCOC(=O)C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F ethyl_loflazepate -CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F fludiazepam -CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F flunitrazepam -CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F flurazepam -CC(C)C1=C(C(=CC=C1)C(C)C)OCOP(=O)(O)O fospropofol -C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(F)(F)F halazepam -C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Br)C4=CC=CC=C4F haloxazolam -CC1=CC(=O)N2CC(=O)N(C3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl)C ketazolam -CC1=NC(=NC=C1OCC2(CC2C(=O)NC3=NC=C(C=C3)F)C4=CC(=CC=C4)F)C lemborexant -CN1CCN(CC1)C=C2C(=O)N3C(=N2)CN=C(C4=C3C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5Cl loprazolam -C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl lorazepam -CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl lormetazepam -CCC(C)C(C)(COC(=O)N)COC(=O)N mebutamate -CN1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 medazepam -CCCC(C)(COC(=O)N)COC(=O)N meprobamate -CCC#CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C methohexital -CCC1(C(=O)NC(=O)N(C1=O)C)C2=CC=CC=C2 methylphenobarbital -CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F midazolam -CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3 nimetazepam -C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3 nitrazepam -C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3 nordiazepam -C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O oxazepam -CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl oxazolam -CC1OC(OC(O1)C)C paraldehyde -C(C(COC(C(Cl)(Cl)Cl)O)(COC(C(Cl)(Cl)Cl)O)COC(C(Cl)(Cl)Cl)O)OC(C(Cl)(Cl)Cl)O petrichloral -CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2 phenobarbital -C#CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 pinazepam -C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4 prazepam -C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F quazepam -CC1=CN=C2N1C3=C(C=C(C=C3)Br)C(=NC2CCC(=O)OC)C4=CC=CC=N4 remimazolam -CC1CCN(CCN1C(=O)C2=C(C=CC(=C2)C)N3N=CC=N3)C4=NC5=C(O4)C=CC(=C5)Cl suvorexant -CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3 temazepam -CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CCCCC3 tetrazepam -CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl triazolam -CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C zaleplon -CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C zolpidem -CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl zopiclone -CCNC(C)CC1=CC(=CC=C1)C(F)(F)F fenfluramine -CC1CNCCC2=C1C=C(C=C2)Cl lorcaserin -CC(C(C1=CC=CC=C1)O)N (+)-norpseudoephedrine -CCN(CC)C(C)C(=O)C1=CC=CC=C1 diethylpropion -CCNC1C2CCC(C2)C1C3=CC=CC=C3 fencamfamin -CC(CC1=CC=CC=C1)NCCC#N fenproporex -C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O mazindol -CC(CC1=CC=CC=C1)NCCCCl mefenorex -C1=CC=C(C=C1)C2C(=O)N=C(O2)N pemoline -CC(C)(CC1=CC=CC=C1)N phentermine -C1CCNC(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O pipradrol -COC(=O)C(C1CCCCN1C(=O)OC[N+]2=CC=CC(=C2)C(=O)NC(CO)C(=O)[O-])C3=CC=CC=C3 serdexmethylphenidate -CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C sibutramine -C1=CC=C(C=C1)CC(COC(=O)N)N solriamfetol -CN(C)C(CC1=CC=CC=C1)C2=CC=CC=C2 spa((-)-1-dimethylamino-1,2-diphenylethane) -CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O pentazocine -C1CCC2(C3CC4=C(C2(C1)CCN3CC5CCC5)C=C(C=C4)O)O butorphanol -CC1=CC(=CC(=C1CC(C(=O)N(CC2=CC(=C(C=C2)OC)C(=O)O)C(C)C3=NC=C(N3)C4=CC=CC=C4)N)C)C(=O)N eluxadoline -CCCC(C(=O)C1=CC=C(C=C1)C)N2CCCC2 pyrovalerone -CCCC1CC(=O)N(C1)C(CC)C(=O)N brivaracetam -C1=CC=C(C(=C1)C(CN2N=CN=N2)OC(=O)N)Cl cenobamate -CCOC(=O)NC1=C(C=C(C=C1)NCC2=CC=C(C=C2)F)N ezogabine -CC(=O)NC(COC)C(=O)NCC1=CC=CC=C1 lacosamide -CN1CCC(CC1)C(=O)C2=NC(=CC=C2)NC(=O)C3=C(C=C(C=C3F)F)F lasmiditan -CC(C)CC(CC(=O)O)CN pregabalin -[Al]Cl aluminum_monochloride -[Al]F aluminum_monofluoride -[Al][C-]#[NH+] aluminum_isocyanide -[CH] methylidyne -[C+] methyliumylidene -CN hydrogen_cyanide -[C-]#[NH+] hydrogen_isocyanide -O=C=N isocyanic_acid -[C+]=O oxomethyl -[C-]=O oxomethylium -[C+]O hydroxymethylidyne -O#[C+]O hydroxyoxomethylium -S#[C+]O thiooxomethylium -[CH2] methylene -C#[NH+] iminomethylium -C=[N] methylene_amidogen -C(#N)N cyanamide -C=O formaldehyde -C(=O)O formic_acid -C=S thioformaldehyde -[CH3] methyl -C=N methanimine -C(=O)N formamide -C=[OH+] hydroxy_methylium_ion -C methane -CO methanol -CS methanethiol -CN methylamine -[C-]#N.[C-]#N.[Mg+2] magnesium_cyanide -[C-]#[N+].[C-]#[N+].[Mg+2] magnesium_isocyanide -[C]#N cyanide_radical -[C]#[N+] cyanide_radical_ion -[C-]#N.[Na+] sodium_cyanide -[C-]#N.[Si+] silicon_cyanide -[C-]#N.[N+] cyanoimidogen -[C-]#O carbon_monoxide -[C-]#[O+] carbon_monoxide_ion - carbon_oxysulfide -O=C=O carbon_dioxide -O=C=[O+] carbon_dioxide_ion -[C-]#[P+] carbon_phosphide -[C-]#[S+] carbon_monosulfide -[C-]#[Si+] silicon_carbide -C#[C+] dicarbon -C#[C] ethynyl -CC#N cyanomethylene -C#C acetylene -[CH2]C#N cyanomethyl -C=C=O ketene -CC#N acetonitrile -C[N+]#[C-] isocyanomethane -C=C ethylene -CC=O acetaldehyde -C1CO1 ethylene_oxide -OC=C ethenol -COC=O methyl_formate -CC(=O)O acetic_acid -C(C=O)O glycolaldehyde -CC ethane -COC dimethyl_ether -C(CO)O ethylene_glycol -O=C=C oxoethenylidene -S=C=C thioxoethenylidene -[C-]#[Si++]#[C-] silicon_dicarbide -[C]=C=[C] tricarbon -C1=CC1 cyclopropenylidyne -C=CC propenylidyne -C#CC#N cyanoacetylene -C#C[C-]#[NH+] isocyanoacetylene -C1=C[C]1 cyclopropenylidene -C=C=C propadienylidene -C#CC#[NH+] protonated_cyanoacetylene -C#CC=O 2-propynal -C=CC#N acrylonitrile -CC#C propyne -N#CCC propanenitrile -CC(=O)C acetone -C[CH]C#N cyanoethynl -C=CCO 1,2-propadienylidene,_3-oxo -C=CCS 1,2-propadienylidene,_thioxo -[C]=C=C.[Si+] silicon_tricarbon -C#CC#C 1,3-butadiynyl -C=C=C=[C] butatrienylidene -CC#CC#N 2-butynenitrile -[C]=C=C=C.[Si+] silicon_tetracarbide -C=C=C=C=C pentacarbon - 2,4-pentadiynylidyne - 2,4-pentadiynenitrile - 1,3-pentadiyne - 1,3-butadiynylium,_4-cyano - 1,3,5-hexatriynyl - 1,3,5-hexatriyne - 1,2,3,4,5-hexapentaenylidene -C1=CC=CC=C1 benzene - 2,4,6-heptatriynylidyne - 2,4,6-heptatriynenitrile - 1,3,5,7-octatetraynyl - 2,4,6,8-nonatetraynenitrile - 2,4,6,8,10-undecapentaynenitrile -HCl hydrogen_chloride -[Cl-].[K+] potassium_chloride -[Cl-].[Na+] sodium_chloride -HF hydrogen_fluoride -O.[Fe] iron_monoxide -[H-].[Li+] lithium_hydride -[NH] imidogen -N=O nitrosyl_hydride -N#[NH+] hydrodinitrogen -OH hydroxyl - oxoniumylidene -[SH] mercapto -[H] hydrogen -[NH2] amidogen -O water -[OH2+] oxoniumyl -S hydrogen_sulfide -[H+]1[H][H]1 trihydrogen_ion -N ammonia -[OH3+] oxonium_hydride -[SiH4] silane -[N]=O nitric_oxide -N#P phosphorous_nitride -[N]=S nitrogen_sulfide -N12[Si]34N5[Si]16N3[Si]25N46 silicon_nitride -N#N nitrogen_ion -[N-]=[N+]=O nitrous_oxide -O=S sulfur_monoxide -O.[Si] silicon_monoxide -O=S=O sulfur_dioxide -[Si]=S silicon_monosulfide -S=S disulfur -CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C vitamin_A -C(C(C1C(=C(C(=O)O1)O)O)O)O vitamin_C -CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C vitamin_D -CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C vitamin_E -CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C vitamin_K -OCCC1=C(C)[N+](CC2=CN=C(C)N=C2N)=CS1 thiamine -OC[C@H](O)[C@H](O)[C@H](O)CN(C(C=C1C)=C(C=C1C)N=C2C(N3)=O)C2=NC3=O riboflavin -C1=CC(=CN=C1)C(=O)O niacin -CC(C)(CO)C(C(=O)NCCC(=O)O)O pantothenic_acid -C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2 biotin -CC1=NC=C(C(=C1O)CO)CO b6 -CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O b12 -C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N folate -CC(F)(F)F 1,1,1-trifluoroethane -C1(C2=CC=CC=C2)=CC=CC=C1 1,1'-biphenyl -C1(CC=C2)=C2C=CC=C1 1H-indene -[NH]1CCCC1 1H-pyrrole -CC#CC 2-butyne -CCC(CC)CO 2-ethyl-1-butanol -CC=C=C(C)C 2-methylpenta-2,3-diene -C/N=N/C (E)-1,2-dimethyldiazene -CC(N(C)C)=O N,N-dimethylacetamide -C/C(C)=N/C N-methylpropan-2-imine -C/C(N(C)C)=N/C (Z)-N,N,N'-trimethylacetimidamide -CC(=O)OC(=O)C acetic_anydride -C(=O)Br acyl_bromide -C(=O)Cl acyl_chloride -C(=O)F acyl_fluoride -C(=O)I acyl_iodide -CC=O aldehyde -C(=O)N amide -*N amino -C12=CC=CC=C1C=C3C(C=CC=C3)=C2 anthracene -C([N-][N+]#N) azide -C1=CC=CC=C1 benzene -C1=CC=C(C=C1)S benzene_thiol -C1CCCCC1C1CCCCC1 bicyclohexyl -Br bromine -CCC=C but-1-ene -CCC#C but-1-yne -O=C=O carbon_dioxide -C(=O)O carboxylic_acid -Cl chlorine -COCCl chloromethyl_methyl_ether -C1=CC=C1 cyclobutadiene -C1CCC1 cyclobutane -C1CCCCCC1 cycloheptane -C1CCCCC1 cyclohexane -C1=CCCC=C1 cyclohexa-1,3-diene -C1=CCC=CC1 cyclohexa-1,4-diene -C=1CCCCC=1 cyclohexene -C1CCCC1 cyclopentane -C1=CCC=C1 cyclopenta-1,3-diene -C1CC1 cyclopropane -C1=CC1 cyclopropene -[2H][CH2]C deuteroethane -COC dimethyl_ether -CCOCC diethyl_ether -CC(C)OC(C)C diisopropyl_ether -C&1&1&1&1 diamond -C=[N+]=[N-] diazomethane -[NH4+].[NH4+].[O-]S(=O)(=O)[S-] diammonium_thiosulfate -N enamine -CC ethane -CCS ethanethiol -CCO ethanol -C=C ethene -COC ether -C(=O)OC ester -F fluorine -C=O formaldehyde -C1OC=CC=1 furan -C&1&1&1 graphite -C#N hydrogen_cyanide -[OH-] hydroxide -NO hydroxyl_amine -C1=CC=CC(CCC2)=C12 indane -CC(=O)C ketone -C methane -CS methanethiol -CC(OC)=O methyl_acetate -CN1CCCC1 methyl_pyrrole -CC(C)(C)OC methyl_tert-butyl_ether -C12=CC=CC=C1C=CC=C2 naphthalene -[N+](=O)[O-] nitro -C[N+]([O-])=O nitromethane -C12=CC=CC1=CC=C2 pentalene -N1CC2CCCC2CC1 perhydroisoquinoline -OC1CCCCC1 phenol -C=1(C=CC=CC1) phenyl -c1ccccc1C&1&1 polystyrene -O primary_alcohol -N primary_amine -CC(C)=O propan-2-one -CCC=O propanol -CC=C prop-1-ene -CC#C prop-1-yne -N1CCCCC1 pyridine -O=N1CCCCC1 pyridine-n-oxide -NC secondary_amine -C12(CCCCC1)CCCCC2 spiro[5.5]undecane -S(=O)(=O) sulfoxide -C[N+](C)(C)C tetramethylammonium -S thiol -OS(=O)(=S)O thiosulfate -CN(C)C trimethylamine -C1(C=CC=C2)=C2C(C=CC=C3)=C3C4=C1C=CC=C4 triphenylene -C alanine -CCCCNC(N)=N arginine -CCC(N)=O asparagine -CC(O)=O aspartic_acid -CS cysteine -CCC(O)=O glutamic_acid -CCC(N)=O glutamine -[H] glycine -CC1=CNC=N1 histidine -C(CC)([H])C isoleucine -CC(C)C leucine -CCCCN lysine -CCSC methionine -CC1=CC=CC=C1 phenylalanine -C2CCCN2 proline -CO serine -C(C)([H])O threonine -CCC1=CNC2=C1C=CC=C2 tryptophan -CC1=CC=C(O)C=C1 tyrosine -C(C)C valine diff --git a/global_chem/narcotics/test.csv b/global_chem/narcotics/test.csv deleted file mode 100644 index 7a5a14c8..00000000 --- a/global_chem/narcotics/test.csv +++ /dev/null @@ -1,179 +0,0 @@ -AEM - alpha-Ethyl-3,4,5-trimethoxy-PEA -AL - 4-Allyloxy-3,5-dimethoxy-PEA -ALEPH - 4-Methylthio-2,5-dimethoxy-A -ALEPH-2 - 4-Ethylthio-2,5-dimethoxy-A -ALEPH-4 - 4-Isopropylthio-2,5-dimethoxy-A -ALEPH-6 - 4-Phenylthio-2,5-dimethoxy-A -ALEPH-7 - 4-Propylthio-2,5-dimethoxy-A -ARIADNE - 2,5-Dimethoxy-alpha-ethyl-4-methyl-PEA -ASB - 3,4-Diethoxy-5-methoxy-PEA -B - 4-Butoxy-3,5-dimethoxy-PEA -BEATRICE - 2,5-Dimethoxy-4,N-dimethyl-A -BIS-TOM - 2,5-Bismethylthio-4-methyl-A -BOB - 4-Bromo-2,5,beta-trimethoxy-PEA -BOD - 2,5,beta-Trimethoxy-4-methyl-PEA -BOH - beta-Methoxy-3,4-methylenedioxy-PEA -BOHD - 2,5-Dimethoxy-beta-hydroxy-4-methyl-PEA -BOM - 3,4,5,beta-Tetramethoxy-PEA -4-Br-3,5-DMA - 4-Bromo-3,5-dimethoxy-A -2-Br-4,5-MDA - 2-Bromo-4,5-methylenedioxy-A -2C-B - 4-Bromo-2,5-dimethoxy-PEA -3C-BZ - 4-Benzyloxy-3,5-dimethoxy-A -2C-C - 4-Chloro-2,5-dimethoxy-PEA -2C-D - 4-Methyl-2,5-dimethoxy-PEA -2C-E - 4-Ethyl-2,5-dimethoxy-PEA -3C-E - 4-Ethoxy-3,5-dimethoxy-A -2C-F - 4-Fluoro-2,5-dimethoxy-PEA -2C-G - 3,4-Dimethyl-2,5-dimethoxy-PEA -2C-G-3 - 3,4-Trimethylene-2,5-dimethoxy-PEA -2C-G-4 - 3,4-Tetramethylene-2,5-dimethoxy-PEA -2C-G-5 - 3,4-Norbornyl-2,5-dimethoxy-PEA -2C-G-N - 1,4-Dimethoxynaphthyl-2-ethylamine -2C-H - 2,5-Dimethoxy-PEA -2C-I - 4-Iodo-2,5-dimethoxy-PEA -2C-N - 4-Nitro-2,5-dimethoxy-PEA -2C-O-4 - 4-Isopropoxy-2,5-dimethoxy-PEA -2C-P - 4-Propyl-2,5-dimethoxy-PEA -CPM - 4-Cyclopropylmethoxy-3,5-dimethoxy-PEA -2C-SE - 4-Methylseleno-2,5-dimethoxy-PEA -2C-T - 4-Methylthio-2,5-dimethoxy-PEA -2C-T-2 - 4-Ethylthio-2,5-dimethoxy-PEA -2C-T-4 - 4-Isopropylthio-2,5-dimethoxy-PEA -psi-2C-T-4 - 4-Isopropylthio-2,6-dimethoxy-PEA -2C-T-7 - 4-Propylthio-2,5-dimethoxy-PEA -2C-T-8 - 4-Cyclopropylmethylthio-2,5-dimethoxy-PEA -2C-T-9 - 4-(t)-Butylthio-2,5-dimethoxy-PEA -2C-T-13 - 4-(2-Methoxyethylthio)-2,5-dimethoxy-PEA -2C-T-15 - 4-Cyclopropylthio-2,5-dimethoxy-PEA -2C-T-17 - 4-(s)-Butylthio-2,5-dimethoxy-PEA -2C-T-21 - 4-(2-Fluoroethylthio)-2,5-dimethoxy-PEA -4-D - 4-Trideuteromethyl-3,5-dimethoxy-PEA -beta-D - beta,beta-Dideutero-3,4,5-trimethoxy-PEA -DESOXY - 4-Methyl-3,5-Dimethoxy-PEA -2,4-DMA - 2,4-Dimethoxy-A -2,5-DMA - 2,5-Dimethoxy-A -3,4-DMA - 3,4-Dimethoxy-A -DMCPA - 2-(2,5-Dimethoxy-4-methylphenyl)-cyclopropylamine -DME - 3,4-Dimethoxy-beta-hydroxy-PEA -DMMDA - 2,5-Dimethoxy-3,4-methylenedioxy-A -DMMDA-2 - 2,3-Dimethoxy-4,5-methylenedioxy-A -DMPEA - 3,4-Dimethoxy-PEA -DOAM - 4-Amyl-2,5-dimethoxy-A -DOB - 4-Bromo-2,5-dimethoxy-A -DOBU - 4-Butyl-2,5-dimethoxy-A -DOC - 4-Chloro-2,5-dimethoxy-A -DOEF - 4-(2-Fluoroethyl)-2,5-dimethoxy-A -DOET - 4-Ethyl-2,5-dimethoxy-A -DOI - 4-Iodo-2,5-dimethoxy-A -DOM (STP) - 4-Methyl-2,5-dimethoxy-A -psi-DOM - 4-Methyl-2,6-dimethoxy-A -DON - 4-Nitro-2,5-dimethoxy-A -DOPR - 4-Propyl-2,5-dimethoxy-A -E - 4-Ethoxy-3,5-dimethoxy-PEA -EEE - 2,4,5-Triethoxy-A -EEM - 2,4-Diethoxy-5-methoxy-A -EME - 2,5-Diethoxy-4-methoxy-A -EMM - 2-Ethoxy-4,5-dimethoxy-A -ETHYL-J - N,alpha-diethyl-3,4-methylenedioxy-PEA -ETHYL-K - N-Ethyl-alpha-propyl-3,4-methylenedioxy-PEA -F-2 - Benzofuran-2-methyl-5-methoxy-6-(2-aminopropane) -F-22 - Benzofuran-2,2-dimethyl-5-methoxy-6-(2-aminopropane) -FLEA - N-Hydroxy-N-methyl-3,4-methylenedioxy-A -G-3 - 3,4-Trimethylene-2,5-dimethoxy-A -G-4 - 3,4-Tetramethylene-2,5-dimethoxy-A -G-5 - 3,4-Norbornyl-2,5-dimethoxy-A -GANESHA - 3,4-Dimethyl-2,5-dimethoxy-A -G-N - 1,4-Dimethoxynaphthyl-2-isopropylamine -HOT-2 - 2,5-Dimethoxy-N-hydroxy-4-ethylthio-PEA -HOT-7 - 2,5-Dimethoxy-N-hydroxy-4-(n)-propylthio-PEA -HOT-17 - 2,5-Dimethoxy-N-hydroxy-4-(s)-butylthio-PEA -IDNNA - 2,5-Dimethoxy-N,N-dimethyl-4-iodo-A -IM - 2,3,4-Trimethoxy-PEA -IP - 3,5-Dimethoxy-4-isopropoxy-PEA -IRIS - 5-Ethoxy-2-methoxy-4-methyl-A -J - alpha-Ethyl-3,4-methylenedioxy-PEA -LOPHOPHINE - 3-Methoxy-4,5-methylenedioxy-PEA -M - 3,4,5-Trimethoxy-PEA -4-MA - 4-Methoxy-A -MADAM-6 - 2,N-Dimethyl-4,5-methylenedioxy-A -MAL - 3,5-Dimethoxy-4-methallyloxy-PEA -MDA - 3,4-Methylenedioxy-A -MDAL - N-Allyl-3,4-methylenedioxy-A -MDBU - N-Butyl-3,4-methylenedioxy-A -MDBZ - N-Benzyl-3,4-methylenedioxy-A -MDCPM - N-Cyclopropylmethyl-3,4-methylenedioxy-A -MDDM - N,N-Dimethyl-3,4-methylenedioxy-A -MDE - N-Ethyl-3,4-methylenedioxy-A -MDHOET - N-(2-Hydroxyethyl)-3,4-methylenedioxy-A -MDIP - N-Isopropyl-3,4-methylenedioxy-A -MDMA - N-Methyl-3,4-methylenedioxy-A -MDMC - N-Methyl-3,4-ethylenedioxy-A -MDMEO - N-Methoxy-3,4-methylenedioxy-A -MDMEOET - N-(2-Methoxyethyl)-3,4-methylenedioxy-A -MDMP - alpha,alpha,N-Trimethyl-3,4-methylenedioxy-PEA -MDOH - N-Hydroxy-3,4-methylenedioxy-A -MDPEA - 3,4-Methylenedioxy-PEA -MDPH - alpha,alpha-Dimethyl-3,4-methylenedioxy-PEA -MDPL - N-Propargyl-3,4-methylenedioxy-A -MDPR - N-Propyl-3,4-methylenedioxy-A -ME - 3,4-Dimethoxy-5-ethoxy-PEA -MEDA - 3-methoxy-4,5-Ethylenedioxy-A -MEE - 2-Methoxy-4,5-diethoxy-A -MEM - 2,5-Dimethoxy-4-ethoxy-A -MEPEA - 3-Methoxy-4-ethoxy-PEA -META-DOB - 5-Bromo-2,4-dimethoxy-A -META-DOT - 5-Methylthio-2,4-dimethoxy-A -METHYL-DMA - N-Methyl-2,5-dimethoxy-A -METHYL-DOB - 4-Bromo-2,5-dimethoxy-N-methyl-A -METHYL-J - N-Methyl-alpha-ethyl-3,4-methylenedioxy-PEA -METHYL-K - N-Methyl-alpha-propyl-3,4-methylenedioxy-PEA -METHYL-MA - N-Methyl-4-methoxy-A -METHYL-MMDA-2 - N-Methyl-2-methoxy-4,5-methylenedioxy-A -MMDA - 3-Methoxy-4,5-methylenedioxy-A -MMDA-2 - 2-Methoxy-4,5-methylenedioxy-A -MMDA-3a - 2-Methoxy-3,4-methylenedioxy-A -MMDA-3b - 4-Methoxy-2,3-methylenedioxy-A -MME - 2,4-Dimethoxy-5-ethoxy-A -MP - 3,4-Dimethoxy-5-propoxy-PEA -MPM - 2,5-Dimethoxy-4-propoxy-A -ORTHO-DOT - 2-Methylthio-4,5-dimethoxy-A -P - 3,5-Dimethoxy-4-propoxy-PEA -PE - 3,5-Dimethoxy-4-phenethyloxy-PEA -PEA - PEA -PROPYNYL - 4-Propynyloxy-3,5-dimethoxy-PEA -SB - 3,5-Diethoxy-4-methoxy-PEA -TA - 2,3,4,5-Tetramethoxy-A -3-TASB - 4-Ethoxy-3-ethylthio-5-methoxy-PEA -4-TASB - 3-Ethoxy-4-ethylthio-5-methoxy-PEA -5-TASB - 3,4-Diethoxy-5-methylthio-PEA -TB - 4-Thiobutoxy-3,5-dimethoxy-PEA -3-TE - 4-Ethoxy-5-methoxy-3-methylthio-PEA -4-TE - 3,5-Dimethoxy-4-ethylthio-PEA -2-TIM - 2-Methylthio-3,4-dimethoxy-PEA -3-TIM - 3-Methylthio-2,4-dimethoxy-PEA -4-TIM - 4-Methylthio-2,3-dimethoxy-PEA -3-TM - 3-Methylthio-4,5-dimethoxy-PEA -4-TM - 4-Methylthio-3,5-dimethoxy-PEA -TMA - 3,4,5-Trimethoxy-A -TMA-2 - 2,4,5-Trimethoxy-A -TMA-3 - 2,3,4-Trimethoxy-A -TMA-4 - 2,3,5-Trimethoxy-A -TMA-5 - 2,3,6-Trimethoxy-A -TMA-6 - 2,4,6-Trimethoxy-A -3-TME - 4,5-Dimethoxy-3-ethylthio-PEA -4-TME - 3-Ethoxy-5-methoxy-4-methylthio-PEA -5-TME - 3-Ethoxy-4-methoxy-5-methylthio-PEA -2T-MMDA-3a - 2-Methylthio-3,4-methylenedioxy-A -4T-MMDA-2 - 4,5-Thiomethyleneoxy-2-methoxy-A -TMPEA - 2,4,5-Trimethoxy-PEA -2-TOET - 4-Ethyl-5-methoxy-2-methylthio-A -5-TOET - 4-Ethyl-2-methoxy-5-methylthio-A -2-TOM - 5-Methoxy-4-methyl-2-methylthio-A -5-TOM - 2-Methoxy-4-methyl-5-methylthio-A -TOMSO - 2-Methoxy-4-methyl-5-methylsulfinyl-A -TP - 4-Propylthio-3,5-dimethoxy-PEA -TRIS - 3,4,5-Triethoxy-PEA -3-TSB - 3-Ethoxy-5-ethylthio-4-methoxy-PEA -4-TSB - 3,5-Diethoxy-4-methylthio-PEA -3-T-TRIS - 4,5-Diethoxy-3-ethylthio-PEA -4-T-TRIS - 3,5-Diethoxy-4-ethylthio-PEA \ No newline at end of file diff --git a/global_chem/narcotics/test2.csv b/global_chem/narcotics/test2.csv deleted file mode 100644 index 93c2da7f..00000000 --- a/global_chem/narcotics/test2.csv +++ /dev/null @@ -1,179 +0,0 @@ -'alpha-Ethyl-3,4,5-trimethoxy-PEA': '', -'4-Allyloxy-3,5-dimethoxy-PEA': '', -'4-Methylthio-2,5-dimethoxy-A': '', -'4-Ethylthio-2,5-dimethoxy-A': '', -'4-Isopropylthio-2,5-dimethoxy-A': '', -'4-Phenylthio-2,5-dimethoxy-A': '', -'4-Propylthio-2,5-dimethoxy-A': '', -'2,5-Dimethoxy-alpha-ethyl-4-methyl-PEA': '', -'3,4-Diethoxy-5-methoxy-PEA': '', -'4-Butoxy-3,5-dimethoxy-PEA': '', -'2,5-Dimethoxy-4,N-dimethyl-A': '', -'2,5-Bismethylthio-4-methyl-A': '', -'4-Bromo-2,5,beta-trimethoxy-PEA': '', -'2,5,beta-Trimethoxy-4-methyl-PEA': '', -'beta-Methoxy-3,4-methylenedioxy-PEA': '', -'2,5-Dimethoxy-beta-hydroxy-4-methyl-PEA': '', -'3,4,5,beta-Tetramethoxy-PEA': '', -'4-Bromo-3,5-dimethoxy-A': '', -'2-Bromo-4,5-methylenedioxy-A': '', -'4-Bromo-2,5-dimethoxy-PEA': '', -'4-Benzyloxy-3,5-dimethoxy-A': '', -'4-Chloro-2,5-dimethoxy-PEA': '', -'4-Methyl-2,5-dimethoxy-PEA': '', -'4-Ethyl-2,5-dimethoxy-PEA': '', -'4-Ethoxy-3,5-dimethoxy-A': '', -'4-Fluoro-2,5-dimethoxy-PEA': '', -'3,4-Dimethyl-2,5-dimethoxy-PEA': '', -'3,4-Trimethylene-2,5-dimethoxy-PEA': '', -'3,4-Tetramethylene-2,5-dimethoxy-PEA': '', -'3,4-Norbornyl-2,5-dimethoxy-PEA': '', -'1,4-Dimethoxynaphthyl-2-ethylamine': '', -'2,5-Dimethoxy-PEA': '', -'4-Iodo-2,5-dimethoxy-PEA': '', -'4-Nitro-2,5-dimethoxy-PEA': '', -'4-Isopropoxy-2,5-dimethoxy-PEA': '', -'4-Propyl-2,5-dimethoxy-PEA': '', -'4-Cyclopropylmethoxy-3,5-dimethoxy-PEA': '', -'4-Methylseleno-2,5-dimethoxy-PEA': '', -'4-Methylthio-2,5-dimethoxy-PEA': '', -'4-Ethylthio-2,5-dimethoxy-PEA': '', -'4-Isopropylthio-2,5-dimethoxy-PEA': '', -'4-Isopropylthio-2,6-dimethoxy-PEA': '', -'4-Propylthio-2,5-dimethoxy-PEA': '', -'4-Cyclopropylmethylthio-2,5-dimethoxy-PEA': '', -'4-(t)-Butylthio-2,5-dimethoxy-PEA': '', -'4-(2-Methoxyethylthio)-2,5-dimethoxy-PEA': '', -'4-Cyclopropylthio-2,5-dimethoxy-PEA': '', -'4-(s)-Butylthio-2,5-dimethoxy-PEA': '', -'4-(2-Fluoroethylthio)-2,5-dimethoxy-PEA': '', -'4-Trideuteromethyl-3,5-dimethoxy-PEA': '', -'beta,beta-Dideutero-3,4,5-trimethoxy-PEA': '', -'4-Methyl-3,5-Dimethoxy-PEA': '', -'2,4-Dimethoxy-A': '', -'2,5-Dimethoxy-A': '', -'3,4-Dimethoxy-A': '', -'2-(2,5-Dimethoxy-4-methylphenyl)-cyclopropylamine': '', -'3,4-Dimethoxy-beta-hydroxy-PEA': '', -'2,5-Dimethoxy-3,4-methylenedioxy-A': '', -'2,3-Dimethoxy-4,5-methylenedioxy-A': '', -'3,4-Dimethoxy-PEA': '', -'4-Amyl-2,5-dimethoxy-A': '', -'4-Bromo-2,5-dimethoxy-A': '', -'4-Butyl-2,5-dimethoxy-A': '', -'4-Chloro-2,5-dimethoxy-A': '', -'4-(2-Fluoroethyl)-2,5-dimethoxy-A': '', -'4-Ethyl-2,5-dimethoxy-A': '', -'4-Iodo-2,5-dimethoxy-A': '', -'4-Methyl-2,5-dimethoxy-A': '', -'4-Methyl-2,6-dimethoxy-A': '', -'4-Nitro-2,5-dimethoxy-A': '', -'4-Propyl-2,5-dimethoxy-A': '', -'4-Ethoxy-3,5-dimethoxy-PEA': '', -'2,4,5-Triethoxy-A': '', -'2,4-Diethoxy-5-methoxy-A': '', -'2,5-Diethoxy-4-methoxy-A': '', -'2-Ethoxy-4,5-dimethoxy-A': '', -'N,alpha-diethyl-3,4-methylenedioxy-PEA': '', -'N-Ethyl-alpha-propyl-3,4-methylenedioxy-PEA': '', -'Benzofuran-2-methyl-5-methoxy-6-(2-aminopropane)': '', -'Benzofuran-2,2-dimethyl-5-methoxy-6-(2-aminopropane)': '', -'N-Hydroxy-N-methyl-3,4-methylenedioxy-A': '', -'3,4-Trimethylene-2,5-dimethoxy-A': '', -'3,4-Tetramethylene-2,5-dimethoxy-A': '', -'3,4-Norbornyl-2,5-dimethoxy-A': '', -'3,4-Dimethyl-2,5-dimethoxy-A': '', -'1,4-Dimethoxynaphthyl-2-isopropylamine': '', -'2,5-Dimethoxy-N-hydroxy-4-ethylthio-PEA': '', -'2,5-Dimethoxy-N-hydroxy-4-(n)-propylthio-PEA': '', -'2,5-Dimethoxy-N-hydroxy-4-(s)-butylthio-PEA': '', -'2,5-Dimethoxy-N,N-dimethyl-4-iodo-A': '', -'2,3,4-Trimethoxy-PEA': '', -'3,5-Dimethoxy-4-isopropoxy-PEA': '', -'5-Ethoxy-2-methoxy-4-methyl-A': '', -'alpha-Ethyl-3,4-methylenedioxy-PEA': '', -'3-Methoxy-4,5-methylenedioxy-PEA': '', -'3,4,5-Trimethoxy-PEA': '', -'4-Methoxy-A': '', -'2,N-Dimethyl-4,5-methylenedioxy-A': '', -'3,5-Dimethoxy-4-methallyloxy-PEA': '', -'3,4-Methylenedioxy-A': '', -'N-Allyl-3,4-methylenedioxy-A': '', -'N-Butyl-3,4-methylenedioxy-A': '', -'N-Benzyl-3,4-methylenedioxy-A': '', -'N-Cyclopropylmethyl-3,4-methylenedioxy-A': '', -'N,N-Dimethyl-3,4-methylenedioxy-A': '', -'N-Ethyl-3,4-methylenedioxy-A': '', -'N-(2-Hydroxyethyl)-3,4-methylenedioxy-A': '', -'N-Isopropyl-3,4-methylenedioxy-A': '', -'N-Methyl-3,4-methylenedioxy-A': '', -'N-Methyl-3,4-ethylenedioxy-A': '', -'N-Methoxy-3,4-methylenedioxy-A': '', -'N-(2-Methoxyethyl)-3,4-methylenedioxy-A': '', -'alpha,alpha,N-Trimethyl-3,4-methylenedioxy-PEA': '', -'N-Hydroxy-3,4-methylenedioxy-A': '', -'3,4-Methylenedioxy-PEA': '', -'alpha,alpha-Dimethyl-3,4-methylenedioxy-PEA': '', -'N-Propargyl-3,4-methylenedioxy-A': '', -'N-Propyl-3,4-methylenedioxy-A': '', -'3,4-Dimethoxy-5-ethoxy-PEA': '', -'3-methoxy-4,5-Ethylenedioxy-A': '', -'2-Methoxy-4,5-diethoxy-A': '', -'2,5-Dimethoxy-4-ethoxy-A': '', -'3-Methoxy-4-ethoxy-PEA': '', -'5-Bromo-2,4-dimethoxy-A': '', -'5-Methylthio-2,4-dimethoxy-A': '', -'N-Methyl-2,5-dimethoxy-A': '', -'4-Bromo-2,5-dimethoxy-N-methyl-A': '', -'N-Methyl-alpha-ethyl-3,4-methylenedioxy-PEA': '', -'N-Methyl-alpha-propyl-3,4-methylenedioxy-PEA': '', -'N-Methyl-4-methoxy-A': '', -'N-Methyl-2-methoxy-4,5-methylenedioxy-A': '', -'3-Methoxy-4,5-methylenedioxy-A': '', -'2-Methoxy-4,5-methylenedioxy-A': '', -'2-Methoxy-3,4-methylenedioxy-A': '', -'4-Methoxy-2,3-methylenedioxy-A': '', -'2,4-Dimethoxy-5-ethoxy-A': '', -'3,4-Dimethoxy-5-propoxy-PEA': '', -'2,5-Dimethoxy-4-propoxy-A': '', -'2-Methylthio-4,5-dimethoxy-A': '', -'3,5-Dimethoxy-4-propoxy-PEA': '', -'3,5-Dimethoxy-4-phenethyloxy-PEA': '', -'PEA': '', -'4-Propynyloxy-3,5-dimethoxy-PEA': '', -'3,5-Diethoxy-4-methoxy-PEA': '', -'2,3,4,5-Tetramethoxy-A': '', -'4-Ethoxy-3-ethylthio-5-methoxy-PEA': '', -'3-Ethoxy-4-ethylthio-5-methoxy-PEA': '', -'3,4-Diethoxy-5-methylthio-PEA': '', -'4-Thiobutoxy-3,5-dimethoxy-PEA': '', -'4-Ethoxy-5-methoxy-3-methylthio-PEA': '', -'3,5-Dimethoxy-4-ethylthio-PEA': '', -'2-Methylthio-3,4-dimethoxy-PEA': '', -'3-Methylthio-2,4-dimethoxy-PEA': '', -'4-Methylthio-2,3-dimethoxy-PEA': '', -'3-Methylthio-4,5-dimethoxy-PEA': '', -'4-Methylthio-3,5-dimethoxy-PEA': '', -'3,4,5-Trimethoxy-A': '', -'2,4,5-Trimethoxy-A': '', -'2,3,4-Trimethoxy-A': '', -'2,3,5-Trimethoxy-A': '', -'2,3,6-Trimethoxy-A': '', -'2,4,6-Trimethoxy-A': '', -'4,5-Dimethoxy-3-ethylthio-PEA': '', -'3-Ethoxy-5-methoxy-4-methylthio-PEA': '', -'3-Ethoxy-4-methoxy-5-methylthio-PEA': '', -'2-Methylthio-3,4-methylenedioxy-A': '', -'4,5-Thiomethyleneoxy-2-methoxy-A': '', -'2,4,5-Trimethoxy-PEA': '', -'4-Ethyl-5-methoxy-2-methylthio-A': '', -'4-Ethyl-2-methoxy-5-methylthio-A': '', -'5-Methoxy-4-methyl-2-methylthio-A': '', -'2-Methoxy-4-methyl-5-methylthio-A': '', -'2-Methoxy-4-methyl-5-methylsulfinyl-A': '', -'4-Propylthio-3,5-dimethoxy-PEA': '', -'3,4,5-Triethoxy-PEA': '', -'3-Ethoxy-5-ethylthio-4-methoxy-PEA': '', -'3,5-Diethoxy-4-methylthio-PEA': '', -'4,5-Diethoxy-3-ethylthio-PEA': '', -'3,5-Diethoxy-4-ethylthio-PEA': '', diff --git a/setup.py b/setup.py index 313bbd53..ec34ccb1 100644 --- a/setup.py +++ b/setup.py @@ -30,7 +30,7 @@ # ---- setup( name="global_chem", - version="1.5.0", + version="1.5.1", packages=find_packages(), license='MPL 2.0', author="Suliman Sharif", diff --git a/tests/test_global_chem.py b/tests/test_global_chem.py index 8c6dd1a6..8901899c 100644 --- a/tests/test_global_chem.py +++ b/tests/test_global_chem.py @@ -164,7 +164,7 @@ def test_deep_layer_networks(): ) gc.add_deep_layer( [ - 'common_warhead_covalent_inhibitors', + 'common_warheads_covalent_inhibitors', 'privileged_scaffolds', 'iupac_blue_book' ]