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flavonoides.csv
We can make this file beautiful and searchable if this error is corrected: It looks like row 2 should actually have 118 columns, instead of 1. in line 1.
21 lines (21 loc) · 109 KB
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flavonoides.csv
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MW[2] Sv[3] Se[4] Sp[5] Ss[6] Mv[7] Me[8] Mp[9] Ms[10] nAT[11] nSK[12] nBT[13] nBO[14] nH[19] nC[20] nO[22] nCIR[48] ZM1[61] ZM2[62] BAC[75] ICR[76] S1K[89] S2K[90] S3K[91] CSI[92] PJI2[93] AECC[95] DECC[96] UNIP[97] CENT[98] VAR[99] GMTI[103] PW2[104] PW3[105] PW4[106] PW5[107] ZM1V[112] ZM2V[113] SMTIV[114] GMTIV[115] LPRS[117] PHI[118] BLI[119] W[120] WA[121] VDA[122] SMTI[123] J[125] ATS1m[231] ATS2m[232] ATS3m[233] ATS4m[234] ATS5m[235] ATS6m[236] ATS7m[237] ATS8m[238] ATS1v[239] ATS2v[240] ATS3v[241] ATS4v[242] ATS5v[243] ATS6v[244] ATS7v[245] ATS8v[246] ATS1e[247] ATS2e[248] ATS3e[249] ATS4e[250] ATS5e[251] ATS6e[252] ATS7e[253] ATS8e[254] ATS1p[255] ATS2p[256] ATS3p[257] ATS4p[258] ATS5p[259] ATS6p[260] ATS7p[261] ATS8p[262] MATS1m[263] MATS2m[264] MATS3m[265] MATS4m[266] MATS5m[267] MATS6m[268] MATS7m[269] MATS8m[270] MATS1v[271] MATS2v[272] MATS3v[273] MATS4v[274] MATS5v[275] MATS6v[276] MATS7v[277] MATS8v[278] MATS1e[279] MATS2e[280] MATS3e[281] MATS4e[282] MATS5e[283] MATS6e[284] MATS7e[285] MATS8e[286] MATS1p[287] MATS2p[288] MATS3p[289] MATS4p[290] MATS5p[291] MATS6p[292] MATS7p[293] MATS8p[294] GATS1m[295] GATS2m[296] GATS3m[297] GATS4m[298] GATS5m[299] GATS6m[300] GATS7m[301] GATS8m[302] GATS1v[303] GATS2v[304] GATS3v[305] GATS4v[306] GATS5v[307] GATS6v[308] GATS7v[309] GATS8v[310] GATS1e[311] GATS2e[312] GATS3e[313] GATS4e[314] GATS5e[315] GATS6e[316] GATS7e[317] GATS8e[318] GATS1p[319] GATS2p[320] GATS3p[321] GATS4p[322] GATS5p[323] GATS6p[324] GATS7p[325] GATS8p[326] MAXDN[382] MAXDP[383] DELS[384] ARR[853] SCBO[884] RBN[885] RBF[886] Qindex[890] SNar[891] HNar[892] GNar[893] Xt[894] Dz[895] Ram[896] Pol[897] MSD[898] Xu[899] SPI[900] Har[902] QW[903] TI1[904] TI2[905] HyDp[906] RHyDp[907] w[908] ww[909] Rww[910] D/D[911] Wap[912] WhetZ[913] Whetm[914] Whetv[915] Whete[916] Whetp[917] JhetZ[918] Jhetm[919] Jhetv[920] Jhete[921] Jhetp[922] S0K[943] ECC[944] MDDD[945] Lop[946] STN[984] D/Dr06[1051] D/Dr10[1055] T(O,,O)[1066] TIE[1172] Har2[2763] ISIZ[57] IAC[59] AAC[60] X0[63] X1[64] X2[65] X0A[66] X1A[67] X2A[68] X0v[69] X1v[70] X2v[71] X0Av[72] X1Av[73] X2Av[74] IDE[77] IDM[78] IDDE[79] IDDM[80] IDMT[81] IDET[82] IVDE[83] LP1[101] TWC[102] TPC[108] PCR[110] PCD[111] XMOD[116] MWC01[126] MWC02[127] MWC03[128] MWC04[129] MWC05[130] MWC06[131] MWC07[132] MWC08[133] MWC09[134] MWC10[135] SRW01[136] SRW02[137] SRW04[139] SRW06[141] SRW08[143] SRW10[145] GGI1[210] GGI2[211] GGI3[212] GGI4[213] GGI5[214] GGI6[215] GGI7[216] GGI8[217] GGI9[218] GGI10[219] JGI1[220] JGI2[221] JGI3[222] JGI4[223] JGI5[224] JGI6[225] JGI7[226] JGI8[227] JGI9[228] JGI10[229] JGT[230] DP01[338] DP02[339] DP03[340] DP04[341] DP05[342] DP06[343] DP07[344] DP08[345] DP09[346] DP10[347] DP11[348] DP12[349] DP13[350] DP14[351] DP15[352] DP16[353] DP17[354] DP18[355] DP19[356] DP20[357] SP01[358] SP02[359] SP03[360] SP04[361] SP05[362] SP06[363] SP07[364] SP08[365] SP09[366] SP10[367] SP11[368] SP12[369] SP13[370] SP14[371] SP15[372] SP16[373] SP17[374] SP18[375] SP19[376] SP20[377] SHP2[395] Ui[851] Hy[852] X3[923] X4[924] X5[925] X3A[926] X4A[927] X5A[928] X3v[929] X4v[930] X5v[931] X3Av[932] X4Av[933] X5Av[934] X0sol[935] X1sol[936] X2sol[937] X3sol[938] X4sol[939] X5sol[940] RDCHI[941] RDSQ[942] IVDM[947] HVcpx[948] HDcpx[949] Uindex[950] Vindex[951] Xindex[952] Yindex[953] IC0[954] TIC0[955] SIC0[956] CIC0[957] BIC0[958] IC1[959] TIC1[960] SIC1[961] CIC1[962] BIC1[963] IC2[964] TIC2[965] SIC2[966] CIC2[967] BIC2[968] IC3[969] TIC3[970] SIC3[971] CIC3[972] BIC3[973] IC4[974] TIC4[975] SIC4[976] CIC4[977] BIC4[978] IC5[979] TIC5[980] SIC5[981] CIC5[982] BIC5[983] Eig1Z[985] Eig1m[986] Eig1v[987] Eig1e[988] Eig1p[989] SEigZ[990] SEigm[991] SEigv[992] SEige[993] SEigp[994] AEigZ[995] AEigm[996] AEigv[997] AEige[998] AEigp[999] VEA1[1000] VEA2[1001] VRA1[1002] VRA2[1003] VED1[1004] VED2[1005] VRD1[1006] VRD2[1007] VEZ1[1008] VEZ2[1009] VRZ1[1010] VRZ2[1011] VEm1[1012] VEm2[1013] VRm1[1014] VRm2[1015] VEv1[1016] VEv2[1017] VRv1[1018] VRv2[1019] VEe1[1020] VEe2[1021] VRe1[1022] VRe2[1023] VEp1[1024] VEp2[1025] VRp1[1026] VRp2[1027] MPC03[1029] MPC04[1030] MPC05[1031] MPC06[1032] MPC07[1033] MPC08[1034] MPC09[1035] MPC10[1036] piPC03[1037] piPC04[1038] piPC05[1039] piPC06[1040] piPC07[1041] piPC08[1042] piPC09[1043] piPC10[1044] piID[1045] CID[1046] BID[1047] nHDon[1476] nHAcc[1477] C-005[1482] BEHm1[1094] BEHm2[1095] BEHm3[1096] BEHm4[1097] BEHm5[1098] BEHm6[1099] BEHm7[1100] BEHm8[1101] BELm1[1102] BELm2[1103] BELm3[1104] BELm4[1105] BELm5[1106] BELm6[1107] BELm7[1108] BELm8[1109] BEHv1[1110] BEHv2[1111] BEHv3[1112] BEHv4[1113] BEHv5[1114] BEHv6[1115] BEHv7[1116] BEHv8[1117] BELv1[1118] BELv2[1119] BELv3[1120] BELv4[1121] BELv5[1122] BELv6[1123] BELv7[1124] BELv8[1125] BEHe1[1126] BEHe2[1127] BEHe3[1128] BEHe4[1129] BEHe5[1130] BEHe6[1131] BEHe7[1132] BEHe8[1133] BELe1[1134] BELe2[1135] BELe3[1136] BELe4[1137] BELe5[1138] BELe6[1139] BELe7[1140] BELe8[1141] BEHp1[1142] BEHp2[1143] BEHp3[1144] BEHp4[1145] BEHp5[1146] BEHp6[1147] BEHp7[1148] BEHp8[1149] BELp1[1150] BELp2[1151] BELp3[1152] BELp4[1153] BELp5[1154] BELp6[1155] BELp7[1156] BELp8[1157] SaaCH[873,0,14,0] SaaCH,Count[873,0,17,0] SaasC[873,0,14,0] SaasC,Count[873,0,17,0] SdO[873,0,14,0] SdssC[873,0,14,0] SdssC,Count[873,0,17,0] SssO[873,0,14,0] SssO,Count[873,0,17,0] SdO(keto)[1606,0,14,0] SdssC(cyc)[1607,0,14,0] SdssC(cyc),Count[1607,0,17,0] SssO(cyc)[1607,0,14,0] SssO(cyc),Count[1607,0,17,0] SaaCH,ar[1608,0,14,0] SaaCH,ar,Count[1608,0,17,0] SaasC,ar[1608,0,14,0] SaasC,ar,Count[1608,0,17,0] SdO,2[1608,0,14,0] SdssC,2[1608,0,14,0] SdssC,2,Count[1608,0,17,0] SssO,3[1608,0,14,0] SssO,3,Count[1608,0,17,0] Se1C3C3ad[1609,0,14,0] Se1C3O2as[1609,0,14,0] Se1C3O2as,Count[1609,0,17,0] Se2C3O1s[1609,0,14,0] SeaC2C3aa[1609,0,14,0] SeaC2C3aa,Count[1609,0,17,0] SeaC3C3aa[1609,0,14,0] SeaC3C3aa,Count[1609,0,17,0] qA1 qA2 qA3 qA4 qA5 qA6 q1 q2 q3 q4 q5 qB1 qB2 qB3 qB4 qB5 qB6 SqA SqB Lumo Gap D Dx Dy Dz Pol Etotal Eli EHF Eel Enu RM Vol �rea Alog P Mol Log S Homo Log (1/ID50)
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-0.046000 -0.128000 -0.215000 0.160000 -0.133000 -0.041000 0.007000 0.133000 0.716000 1.046000 1.395000 1.295000 1.067000 0.697000 0.504000 0.000000 0.716000 1.046000 1.395000 1.295000 1.067000 0.697000 0.504000 0.000000 0.716000 1.046000 1.395000 1.295000 1.067000 0.697000 0.504000 0.000000 0.716000 1.046000 1.395000 1.295000 1.067000 0.697000 0.504000 0.000000 1.675000 4.913000 14.283000 0.632000 27.000000 1.000000 0.034000 14.000000 13.118000 2.082000 2.163000 0.276000 36.000000 5.000000 26.000000 0.253000 16.837999 4.537000 31.000999 339.552002 32.804001 2.299000 1432.000000 36.306999 1254.000000 7197.000000 6.282000 57.030998 4401.000000 367.000000 367.072998 455.457001 367.389008 471.714996 2.200000 2.199000 1.770000 2.197000 1.714000 65.487000 118.000000 9.363000 0.481000 5.347000 117.750000 62.228001 4.000000 20.997000 53.380001 128.382004 34.558998 1.280000 11.665000 8.343000 7.315000 0.686000 0.439000 0.281000 9.090000 5.428000 3.837000 0.535000 0.286000 0.148000 2.885000 6.878000 3.735000 4.063000 3438.881104 392.401001 1.166000 2.419000 107.887001 70.120003 1.507000 35.567001 51.453999 19.000000 4.511000 5.361000 6.232000 7.101000 7.980000 8.854000 9.736000 10.614000 11.497000 17.000000 38.000000 142.000000 656.000000 3334.000000 17788.000000 2.500000 1.778000 0.938000 0.898000 0.507000 0.123000 0.080000 0.032000 0.000000 0.000000 0.132000 0.068000 0.036000 0.043000 0.030000 0.009000 0.009000 0.008000 0.000000 0.000000 0.335000 4.197000 5.126000 5.806000 6.297000 6.631000 6.829000 6.907000 6.878000 6.752000 6.537000 6.240000 5.869000 5.427000 4.920000 4.354000 3.735000 3.073000 2.384000 1.701000 1.079000 3.965000 5.014000 5.794000 6.364000 6.760000 7.007000 7.123000 7.124000 7.021000 0.824000 6.541000 6.180000 5.746000 5.245000 4.683000 4.065000 3.399000 2.698000 1.989000 1.319000 0.418000 3.907000 -0.865000 6.295000 5.406000 4.478000 0.180000 0.118000 0.076000 2.693000 1.849000 1.260000 0.077000 0.040000 0.021000 11.665000 8.343000 7.315000 6.295000 5.406000 4.478000 2.991000 122.332001 4.043000 2.831000 1.572000 23.652000 0.286000 0.426000 0.850000 1.280000 34.558998 0.269000 3.475000 0.246000 2.394000 64.633003 0.503000 2.361000 0.460000 3.092000 83.487999 0.650000 1.663000 0.594000 3.899000 105.263000 0.820000 0.856000 0.748000 4.357000 117.626999 0.916000 0.398000 0.836000 4.459000 120.382004 0.938000 0.296000 0.856000 44.355999 44.363998 54.837002 44.401001 56.904999 0.500000 0.499000 -1.908000 0.493000 -2.400000 88.210999 88.228996 111.927002 88.307999 117.272003 3.757000 0.221000 18.434000 1.084000 4.069000 0.239000 18.495001 1.088000 4.076000 0.240000 18.490000 1.088000 4.076000 0.240000 8.490000 1.088000 4.076000 0.240000 18.489000 1.088000 4.076000 0.240000 18.490000 1.088000 4.072000 0.240000 18.490000 1.088000 35.000000 46.000000 59.000000 58.000000 64.000000 65.000000 66.000000 52.000000 4.505000 5.059000 5.594000 5.725000 6.115000 6.422000 6.771000 6.888000 105.686996 35.290001 17.351999 0.000000 2.000000 0.000000 3.943000 3.737000 3.308000 2.888000 2.650000 2.617000 2.400000 2.238000 2.002000 1.907000 1.472000 1.082000 1.076000 0.972000 0.792000 0.360000 3.903000 3.745000 3.271000 2.790000 2.647000 2.636000 2.386000 2.038000 2.018000 1.880000 1.485000 1.070000 0.996000 0.922000 0.723000 0.566000 3.976000 3.794000 3.374000 2.938000 2.769000 2.749000 2.516000 2.353000 1.927000 1.802000 1.346000 0.881000 0.799000 0.750000 0.518000 0.175000 3.904000 3.749000 3.274000 2.793000 2.660000 2.644000 2.396000 2.029000 2.015000 1.869000 1.477000 1.064000 0.966000 0.901000 0.699000 0.563000 16.901180 9.000000 2.154060 3.000000 11.912850 0.597230 2.000000 5.728660 1.000000 11.912850 0.597230 2.000000 5.728660 1.000000 16.901180 9.000000 2.154060 3.000000 11.912850 0.597230 2.000000 5.728660 1.000000 1.412550 3.654880 1.000000 7.775890 5.905660 4.000000 0.762410 1.000000 -0.223000 0.132000 -0.200000 -0.038000 -0.262000 0.164000 0.315000 -0.292000 0.130000 -0.281000 -0.135000 -0.064000 -0.089000 -0.136000 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mol2 238.250000 19.520000 28.400000 20.170000 44.500000 0.700000 1.010000 0.720000 2.470000 28.000000 18.000000 30.000000 20.000000 10.000000 15.000000 3.000000 4.000000 96.000000 113.000000 5.000000 2.530000 10.903000 4.222000 2.006000 294.000000 1.000000 7.500000 1.278000 49.000000 300.000000 42.000000 2724.000000 0.582000 0.339000 0.188000 0.112000 274.000000 281.000000 4700.000000 8236.000000 74.980003 2.558000 0.834000 591.000000 3.863000 65.667000 2638.000000 1.627000 3.106000 3.455000 3.476000 3.312000 3.187000 2.772000 2.457000 2.037000 2.947000 3.223000 3.183000 2.963000 2.838000 2.605000 2.305000 1.796000 3.105000 3.454000 3.474000 3.310000 3.185000 2.771000 2.456000 2.035000 2.935000 3.204000 3.159000 2.936000 2.815000 2.593000 2.293000 1.776000 -0.040000 -0.143000 -0.229000 -0.009000 0.380000 -0.057000 -0.040000 -0.200000 -0.040000 -0.143000 -0.229000 -0.009000 0.380000 -0.057000 -0.040000 0.200000 -0.040000 -0.143000 -0.229000 -0.009000 0.380000 -0.057000 -0.040000 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