@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2118

@attribute molecule_id {CHEMBL116536,CHEMBL116538,CHEMBL119195,CHEMBL120717,CHEMBL121432,CHEMBL225304,CHEMBL330979,CHEMBL331009,CHEMBL331650,CHEMBL47011,CHEMBL522,CHEMBL534467,CHEMBL534914,CHEMBL536263,CHEMBL536949,CHEMBL536953,CHEMBL537174,CHEMBL537175,CHEMBL537402,CHEMBL537405,CHEMBL537406,CHEMBL537623,CHEMBL537624,CHEMBL537628,CHEMBL537845,CHEMBL541126,CHEMBL557160,CHEMBL557976,CHEMBL559376}
@attribute ALOGP numeric
@attribute CATS2D_01_LL numeric
@attribute SaaCH numeric
@attribute Mi numeric
@attribute CATS2D_05_LL numeric
@attribute N. numeric
@attribute MLOGP numeric
@attribute SpMax1_Bh.p. numeric
@attribute Eta_alpha_A numeric
@attribute X4Av numeric
@attribute C. numeric
@attribute MATS1i numeric
@attribute CATS2D_02_LL numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.012 numeric
@attribute C.015 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.021 numeric
@attribute C.022 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.033 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AP numeric
@attribute CATS2D_01_DA numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_DP numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_02_PP numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_DP numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_03_PP numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DP numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_04_PP numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DP numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_05_PP numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DP numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_PL numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr03 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr07 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.50 numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.dm. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.dm. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.dm. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.dm. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.dm. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.dm. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.dm. numeric
@attribute Eig14_EA.ed. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.dm. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute Eta_beta numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP numeric
@attribute Eta_betaP_A numeric
@attribute Eta_betaS numeric
@attribute Eta_betaS_A numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute Eta_epsi numeric
@attribute Eta_epsi_A numeric
@attribute Eta_F numeric
@attribute Eta_F_A numeric
@attribute Eta_FL numeric
@attribute Eta_FL_A numeric
@attribute Eta_L numeric
@attribute Eta_L_A numeric
@attribute Eta_sh_p numeric
@attribute Eta_sh_x numeric
@attribute Eta_sh_y numeric
@attribute F.082 numeric
@attribute GATS1e numeric
@attribute GATS1i numeric
@attribute GATS1m numeric
@attribute GATS1p numeric
@attribute GATS1s numeric
@attribute GATS1v numeric
@attribute GATS2e numeric
@attribute GATS2i numeric
@attribute GATS2m numeric
@attribute GATS2p numeric
@attribute GATS2s numeric
@attribute GATS2v numeric
@attribute GATS3e numeric
@attribute GATS3i numeric
@attribute GATS3m numeric
@attribute GATS3p numeric
@attribute GATS3s numeric
@attribute GATS3v numeric
@attribute GATS4e numeric
@attribute GATS4i numeric
@attribute GATS4m numeric
@attribute GATS4p numeric
@attribute GATS4s numeric
@attribute GATS4v numeric
@attribute GATS5e numeric
@attribute GATS5i numeric
@attribute GATS5m numeric
@attribute GATS5p numeric
@attribute GATS5s numeric
@attribute GATS5v numeric
@attribute GATS6e numeric
@attribute GATS6i numeric
@attribute GATS6m numeric
@attribute GATS6p numeric
@attribute GATS6s numeric
@attribute GATS6v numeric
@attribute GATS7e numeric
@attribute GATS7i numeric
@attribute GATS7m numeric
@attribute GATS7p numeric
@attribute GATS7s numeric
@attribute GATS7v numeric
@attribute GATS8e numeric
@attribute GATS8i numeric
@attribute GATS8m numeric
@attribute GATS8p numeric
@attribute GATS8s numeric
@attribute GATS8v numeric
@attribute GGI1 numeric
@attribute GGI10 numeric
@attribute GGI2 numeric
@attribute GGI3 numeric
@attribute GGI4 numeric
@attribute GGI5 numeric
@attribute GGI6 numeric
@attribute GGI7 numeric
@attribute GGI8 numeric
@attribute GGI9 numeric
@attribute GMTI numeric
@attribute GMTIV numeric
@attribute GNar numeric
@attribute H. numeric
@attribute H.046 numeric
@attribute H.047 numeric
@attribute H.048 numeric
@attribute H.049 numeric
@attribute H.050 numeric
@attribute H.051 numeric
@attribute H.052 numeric
@attribute H.054 numeric
@attribute HDcpx numeric
@attribute HNar numeric
@attribute HVcpx numeric
@attribute Hy numeric
@attribute Hypertens.50 numeric
@attribute Hypertens.80 numeric
@attribute Hypnotic.50 numeric
@attribute Hypnotic.80 numeric
@attribute IAC numeric
@attribute IC0 numeric
@attribute IC1 numeric
@attribute IC2 numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute ICR numeric
@attribute IDDE numeric
@attribute IDDM numeric
@attribute IDE numeric
@attribute IDET numeric
@attribute IDM numeric
@attribute IDMT numeric
@attribute Infective.50 numeric
@attribute Infective.80 numeric
@attribute Inflammat.50 numeric
@attribute Inflammat.80 numeric
@attribute ISIZ numeric
@attribute IVDE numeric
@attribute IVDM numeric
@attribute JGI1 numeric
@attribute JGI10 numeric
@attribute JGI2 numeric
@attribute JGI3 numeric
@attribute JGI4 numeric
@attribute JGI5 numeric
@attribute JGI6 numeric
@attribute JGI7 numeric
@attribute JGI8 numeric
@attribute JGI9 numeric
@attribute JGT numeric
@attribute LLS_01 numeric
@attribute LOC numeric
@attribute LPRS numeric
@attribute MATS1e numeric
@attribute MATS1m numeric
@attribute MATS1p numeric
@attribute MATS1s numeric
@attribute MATS1v numeric
@attribute MATS2e numeric
@attribute MATS2i numeric
@attribute MATS2m numeric
@attribute MATS2p numeric
@attribute MATS2s numeric
@attribute MATS2v numeric
@attribute MATS3e numeric
@attribute MATS3i numeric
@attribute MATS3m numeric
@attribute MATS3p numeric
@attribute MATS3s numeric
@attribute MATS3v numeric
@attribute MATS4e numeric
@attribute MATS4i numeric
@attribute MATS4m numeric
@attribute MATS4p numeric
@attribute MATS4s numeric
@attribute MATS4v numeric
@attribute MATS5e numeric
@attribute MATS5i numeric
@attribute MATS5m numeric
@attribute MATS5p numeric
@attribute MATS5s numeric
@attribute MATS5v numeric
@attribute MATS6e numeric
@attribute MATS6i numeric
@attribute MATS6m numeric
@attribute MATS6p numeric
@attribute MATS6s numeric
@attribute MATS6v numeric
@attribute MATS7e numeric
@attribute MATS7i numeric
@attribute MATS7m numeric
@attribute MATS7p numeric
@attribute MATS7s numeric
@attribute MATS7v numeric
@attribute MATS8e numeric
@attribute MATS8i numeric
@attribute MATS8m numeric
@attribute MATS8p numeric
@attribute MATS8s numeric
@attribute MATS8v numeric
@attribute MAXDN numeric
@attribute MAXDP numeric
@attribute MCD numeric
@attribute MDDD numeric
@attribute Me numeric
@attribute MLOGP2 numeric
@attribute Mp numeric
@attribute MPC01 numeric
@attribute MPC02 numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute MPC05 numeric
@attribute MPC06 numeric
@attribute MPC07 numeric
@attribute MPC08 numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute MSD numeric
@attribute Mv numeric
@attribute MW numeric
@attribute MWC01 numeric
@attribute MWC02 numeric
@attribute MWC03 numeric
@attribute MWC04 numeric
@attribute MWC05 numeric
@attribute MWC06 numeric
@attribute MWC07 numeric
@attribute MWC08 numeric
@attribute MWC09 numeric
@attribute MWC10 numeric
@attribute N.066 numeric
@attribute N.069 numeric
@attribute N.070 numeric
@attribute N.071 numeric
@attribute N.072 numeric
@attribute N.073 numeric
@attribute N.074 numeric
@attribute N.075 numeric
@attribute NaaCH numeric
@attribute NaaN numeric
@attribute NaaNH numeric
@attribute NaasC numeric
@attribute nAB numeric
@attribute nArNH2 numeric
@attribute nArNHR numeric
@attribute nArNR2 numeric
@attribute nArOH numeric
@attribute nAT numeric
@attribute nBM numeric
@attribute nBnz numeric
@attribute nBO numeric
@attribute nBT numeric
@attribute nC numeric
@attribute nCar numeric
@attribute nCb. numeric
@attribute nCbH numeric
@attribute nCconj numeric
@attribute nCIC numeric
@attribute nCIR numeric
@attribute nC.N.N. numeric
@attribute nC..N.N2 numeric
@attribute nCp numeric
@attribute nCR2X2 numeric
@attribute nCrs numeric
@attribute nCrt numeric
@attribute nCs numeric
@attribute nCsp numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nCt numeric
@attribute nDB numeric
@attribute NdCH2 numeric
@attribute NdO numeric
@attribute NdsCH numeric
@attribute NdsN numeric
@attribute NdssC numeric
@attribute Neoplastic.50 numeric
@attribute Neoplastic.80 numeric
@attribute nF numeric
@attribute nH numeric
@attribute nHAcc numeric
@attribute nHDon numeric
@attribute nHet numeric
@attribute nImidazoles numeric
@attribute nN numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nPyridines numeric
@attribute nR03 numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR07 numeric
@attribute nR.C. numeric
@attribute nR.CH.X numeric
@attribute nR.Cp numeric
@attribute nR.Cs numeric
@attribute nR.Ct numeric
@attribute nRNH2 numeric
@attribute NRS numeric
@attribute NsCH3 numeric
@attribute NsF numeric
@attribute nSK numeric
@attribute NsNH2 numeric
@attribute NsOH numeric
@attribute NssCH2 numeric
@attribute NssNH numeric
@attribute NsssCH numeric
@attribute NsssN numeric
@attribute NssssC numeric
@attribute nTB numeric
@attribute NtCH numeric
@attribute NtsC numeric
@attribute nX numeric
@attribute O. numeric
@attribute O.057 numeric
@attribute O.058 numeric
@attribute ON0 numeric
@attribute ON0V numeric
@attribute ON1 numeric
@attribute ON1V numeric
@attribute PCD numeric
@attribute PCR numeric
@attribute PDI numeric
@attribute PHI numeric
@attribute pXC50 numeric

@data
{1 -0.158,2 1,3 3.309,4 1.145,6 18.8,7 -0.059,8 3.729,9 0.467,10 0.039,11 37.5,12 -0.139,14 -1.17,15 -1.26,16 -1.34,17 1.505,18 4.889,19 0.025,20 35.678,21 7.573,22 0.556,23 2.882,24 3.043,25 2.439,26 2.338,27 4.143,28 2.346,29 3.251,30 3.465,31 2.574,32 2.568,33 4.478,34 2.533,35 3.155,36 3.421,37 2.139,38 2.365,39 4.235,40 2.247,41 2.636,42 2.82,43 1.959,44 2.039,45 3.767,46 1.972,47 2.67,48 2.88,49 1.869,50 1.914,51 3.862,52 1.846,53 2.797,54 3.087,55 1.512,56 1.754,57 3.85,58 1.619,59 2.532,60 2.912,61 0.472,62 1.276,63 3.178,64 1.009,65 1.515,66 1.922,67 0.028,68 0.457,69 1.609,70 0.245,71 0.034,72 0.253,73 3.222,74 0.931,75 7.014,76 1.453,77 0.086,78 0.328,79 5.237,80 1.495,81 12.969,82 2.33,83 0.048,84 0.25,85 5.198,86 1.72,87 12.259,88 2.674,89 0.008,90 0.173,91 2.579,92 1.009,93 4.967,94 1.495,95 0.047,96 0.166,97 2.819,98 0.824,99 7.189,100 1.286,101 0.083,102 0.15,103 3.758,104 0.783,105 9.182,106 1.38,107 0.063,108 0.078,109 3.367,110 0.691,111 8.708,112 1.274,113 0.016,114 0.016,115 1.194,116 0.309,117 2.507,118 0.545,119 5,120 10,121 0.345,122 0.792,123 0.861,124 0.861,125 0.861,126 0.861,127 2.348,128 0.87,133 1,140 2,145 1,146 1,150 1,151 1,152 1,153 1,158 1,160 1,162 1,164 1,167 1,171 2,174 1,180 1,186 1,187 1,195 1,197 1,213 54,214 6.268,215 6.268,216 6.268,217 6.268,218 6.268,219 5.347,220 4.885,221 4.187,222 6.421,223 4.432,224 4.432,225 4.432,226 4.432,227 4.432,228 3.044,229 3.144,230 1.963,231 4.668,232 2.495,233 0.547,234 0.25,235 0.25,236 0.25,237 0.25,238 2.923,241 86,242 1.871,244 23.84,247 0.815,248 5.479,251 1,252 0.67,253 0.83,254 0.6,256 1,257 0.73,258 19.5,259 44,260 4.128,261 2.957,262 5.352,263 3.497,264 2.541,265 3.628,266 0.769,267 6.996,268 2.428,269 3.49,270 2.341,271 3.611,272 2.517,273 1.555,274 2.408,276 3.051,277 1.493,278 2.491,279 1.443,280 3.133,281 2.032,282 1.1,283 1.419,285 2.113,286 1.023,287 2.118,288 0.618,289 3,290 1.532,291 0.618,292 0.927,294 1.372,295 0.564,296 1.727,297 0.346,298 2.25,299 1.119,300 0.172,301 0.246,302 0.265,303 0.162,304 0.298,305 -0.226,306 1.126,307 0.046,308 -0.909,309 -0.987,310 -1.697,311 -0.865,312 -0.118,313 -1.109,314 1,315 -0.587,316 -1.53,317 -2.33,318 -3.008,319 -1.429,320 -0.156,321 -1.618,322 0.397,323 -0.682,324 -1.618,325 -2.427,327 -4.372,328 -1.513,329 -0.478,330 -1.722,331 0.131,332 -0.974,333 -1.928,334 -2.883,335 -0.769,336 -4.721,337 -1.862,392 4.2,393 0.068,394 0.008,395 11.75,396 1.306,397 6,398 0.667,399 5.75,400 0.639,401 3.72,402 0.413,403 9.6,404 0.6,405 5.579,406 0.62,407 2.604,408 0.289,409 1.828,410 0.203,411 0.095,413 0.119,415 1.331,416 1.328,417 0.871,418 0.911,419 1.287,420 0.827,421 1.136,422 0.97,423 0.981,424 0.891,425 1.018,426 0.907,427 0.659,428 0.983,429 0.863,430 1.047,431 0.661,432 0.999,433 0.579,434 1.474,435 0.911,436 1.442,437 0.945,438 1.266,439 0.98,440 1.287,441 1.265,442 1.432,443 1.017,444 1.403,445 1.417,446 0.869,447 1.448,448 1.102,449 1.299,450 1.253,451 1.23,452 0.327,453 1.055,454 0.506,455 1.233,456 0.712,463 1,465 0.444,466 0.222,467 0.125,468 0.08,469 0.056,473 360,474 1177,475 1.937,476 43.8,478 2,479 1,480 1,481 3,485 1.338,486 1.862,487 2.423,488 1.83,493 24.084,494 1.505,495 3.453,496 3.75,497 3.75,498 3.75,499 3.75,500 1.891,501 2.419,502 3.14,503 2.424,504 87.249,505 4.953,506 490.319,511 64,512 0.986,513 3.128,514 0.111,516 0.044,517 0.037,518 0.025,519 0.02,520 0.028,524 0.265,525 1,526 1.761,527 27.634,528 -0.315,529 -0.04,530 0.046,531 -0.322,532 0.05,533 -0.116,534 0.098,535 -0.092,536 0.04,537 -0.102,538 -0.012,539 0.032,540 -0.128,541 0.072,542 -0.032,543 0.121,544 0.018,545 0.047,546 -0.457,547 -0.081,548 -0.385,549 -0.2,550 -0.275,551 0.065,552 -0.256,553 -0.385,554 -0.545,555 -0.007,556 -0.543,557 -0.167,558 -0.006,559 -0.451,560 -0.324,561 -0.146,562 -0.419,563 -0.197,564 0.254,565 0.076,566 0.334,567 -0.128,568 0.265,569 0.629,570 0.286,571 1.267,572 0.995,573 0.808,574 1.203,575 1.118,576 1.134,577 0.556,578 3.778,579 1.005,580 0.003,581 0.659,582 2.303,583 2.398,584 2.485,585 2.565,586 2.197,587 1.946,588 1.609,589 1.099,592 3.14,593 0.632,594 121.16,595 2.303,596 3.664,597 4.394,598 5.153,599 5.911,600 6.681,601 7.447,602 8.221,603 8.991,604 9.765,605 1,610 1,612 1,613 2,614 1,615 1,616 1,617 5,622 16,623 6,625 9,626 16,627 6,628 3,632 1,633 1,636 1,641 2,642 3,643 1,654 7,655 2,656 3,657 3,658 1,659 3,660 1,664 1,667 2,672 1,673 1,676 9,677 1,679 1,684 1,686 2,691 4.833,692 2.7,693 2.25,694 0.783,695 1.542,696 1.361,697 0.95,698 2.027,699 5.77}
{0 CHEMBL116538,1 -0.236,2 1,3 3.38,4 1.152,6 16.7,7 -0.059,8 3.758,9 0.467,10 0.043,11 33.3,12 -0.18,14 -1.17,15 -1.26,16 -1.34,17 1.459,18 4.111,19 0.056,20 36.041,21 6.843,22 0.556,23 2.982,24 3.152,25 2.454,26 2.409,27 4.176,28 2.395,29 3.387,30 3.607,31 2.66,32 2.704,33 4.47,34 2.652,35 3.448,36 3.7,37 2.428,38 2.652,39 4.496,40 2.53,41 3.405,42 3.681,43 2.251,44 2.484,45 4.515,46 2.357,47 3.32,48 3.653,49 1.631,50 2.157,51 4.22,52 1.934,53 2.78,54 3.188,55 0.489,56 1.426,57 3.332,58 1.105,59 1.515,60 1.922,61 0.028,62 0.457,63 1.609,64 0.245,71 0.03,72 0.272,73 4.147,74 1.113,75 7.631,76 1.976,77 0.084,78 0.366,79 6.531,80 1.85,81 9.296,82 3.104,83 0.041,84 0.335,85 6.968,86 2.168,87 12.771,88 3.606,89 0.099,90 0.291,91 6.922,92 1.694,93 18.333,94 3.04,95 0.116,96 0.203,97 6.618,98 1.414,99 15.342,100 2.679,101 0.068,102 0.078,103 3.936,104 0.798,105 9.415,106 1.562,107 0.012,108 0.012,109 0.944,110 0.244,111 1.878,112 0.43,119 7,120 11,121 0.33,122 0.757,123 0.867,124 0.867,125 0.867,126 0.867,127 2.355,128 0.904,133 1,136 1,138 1,145 1,146 1,150 1,151 1,152 1,153 1,158 1,160 1,162 1,164 1,167 1,171 2,174 1,177 1,178 1,180 1,188 1,190 1,213 52,214 6.06,215 6.06,216 6.06,217 6.06,218 6.06,219 5.347,220 5.219,221 3.696,222 6.202,223 4.355,224 4.355,225 4.355,226 4.355,227 4.355,228 3.249,229 7.223,230 1.646,231 4.576,232 2.711,233 0.82,234 0.333,235 0.333,236 0.333,237 0.333,238 2.913,241 71,242 2.121,244 23.476,247 0.593,248 6.575,251 1,252 0.83,253 0.83,254 0.6,256 1,257 0.75,258 19.5,259 37,260 4.151,261 2.915,262 6.014,263 3.758,264 2.786,265 3.695,266 0.522,267 8.501,268 2.708,269 3.23,270 1.956,271 4.259,272 2.716,273 1.773,274 2.446,276 4.038,277 1.669,278 2.313,279 1.026,280 3.202,281 1.825,282 0.895,283 1.205,285 1.908,286 0.83,287 2.118,288 0.618,289 3,290 1.532,291 0.618,292 0.927,294 1.372,295 0.564,296 1.464,297 0.333,298 2.253,299 1.072,300 0.133,301 0.165,302 0.18,303 0.125,304 0.235,305 -1.014,306 1.411,307 -0.241,308 -1.209,309 -1.61,310 -2.688,311 -1.159,312 -0.118,313 -1.256,314 1,315 -0.509,316 -1.464,317 -1.778,318 -3.13,319 -1.397,320 -0.181,321 -1.618,322 0.464,323 -0.682,324 -1.618,325 -2.427,327 -4.372,328 -1.51,329 -0.712,330 -1.88,331 0.397,332 -0.97,333 -1.915,334 -2.623,335 -0.522,336 -5.808,337 -1.83,392 4.2,393 0.157,394 0.017,395 11.25,396 1.25,397 5.5,398 0.611,399 5.75,400 0.639,401 4.045,402 0.449,403 10.2,404 0.567,405 5.842,406 0.649,407 2.477,408 0.275,409 1.865,410 0.207,411 0.214,413 0.238,415 1.283,416 1.479,417 0.954,418 1.089,419 1.43,420 0.985,421 1.051,422 1.03,423 0.954,424 0.948,425 0.973,426 0.937,427 0.701,428 1.325,429 0.96,430 1.306,431 0.654,432 1.191,433 1.102,434 1.062,435 1.171,436 1.143,437 1.252,438 1.164,439 1.154,440 0.792,441 1.216,442 1.002,443 1.056,444 1.103,445 0.978,446 0.27,447 0.786,448 0.387,449 0.934,450 0.534,463 1.5,465 1.111,466 0.278,467 0.25,468 0.08,473 312,474 928,475 1.876,476 50,478 4,479 1,480 1,481 3,485 1.35,486 1.742,487 2.225,488 1.83,493 26.265,494 1.459,495 3.35,496 3.837,497 3.837,498 3.837,499 3.837,500 1.53,501 2.419,502 3.143,503 2.167,504 78.024,505 5.001,506 445.082,511 75.059,512 1.436,513 3.086,514 0.167,516 0.101,517 0.035,518 0.042,519 0.04,524 0.384,525 1,526 1.539,527 26.693,528 -0.242,529 -0.023,530 -0.001,531 -0.378,532 0.02,533 -0.055,534 0.131,535 -0.019,536 0.086,537 -0.123,538 0.045,539 0.003,540 -0.333,541 -0.062,542 -0.253,543 0.165,544 -0.179,545 -0.074,546 -0.104,547 -0.227,548 -0.234,549 -0.123,550 -0.252,551 -0.082,552 -0.024,553 -0.251,554 -0.206,555 -0.1,556 -0.249,557 -0.057,558 0.223,559 0.204,560 0.35,561 -0.002,562 0.323,563 0.522,564 0.246,565 0.987,566 0.796,567 0.606,568 0.943,575 1.037,576 1.31,577 0.556,578 3.136,579 0.998,580 0.003,581 0.628,582 2.303,583 2.485,584 2.639,585 2.639,586 2.197,587 1.946,588 1.099,592 2.744,593 0.591,594 123.18,595 2.303,596 3.714,597 4.489,598 5.283,599 6.08,600 6.88,601 7.681,602 8.483,603 9.284,604 10.086,605 1,610 1,612 1,613 2,614 1,615 1,616 1,617 5,622 18,623 6,625 9,626 18,627 6,628 3,631 2,632 1,633 1,636 1,642 5,643 1,645 1,646 1,650 1,654 9,655 2,656 3,657 3,658 1,659 3,660 1,664 1,669 1,671 1,672 1,673 1,676 9,677 1,679 1,691 5.167,692 2.95,693 2.194,694 0.846,695 1.055,696 1.247,697 0.945,698 1.774,699 5.149}
{0 CHEMBL119195,1 -0.281,2 1,3 3.447,4 1.152,6 16.7,7 -0.059,8 3.741,9 0.467,10 0.046,11 33.3,12 -0.18,14 -1.17,15 -1.26,16 -1.34,17 1.459,18 4.889,19 0.079,20 37.433,21 6.843,22 0.556,23 2.982,24 3.152,25 2.454,26 2.409,27 4.146,28 2.395,29 3.387,30 3.606,31 2.599,32 2.678,33 4.479,34 2.613,35 3.438,36 3.731,37 2.193,38 2.542,39 4.317,40 2.385,41 3.159,42 3.439,43 2.027,44 2.291,45 4.043,46 2.159,47 3.04,48 3.328,49 1.902,50 2.095,51 4.027,52 1.966,53 2.9,54 3.212,55 1.515,56 1.803,57 3.892,58 1.646,59 2.532,60 2.912,61 0.472,62 1.276,63 3.178,64 1.009,65 1.515,66 1.922,67 0.028,68 0.457,69 1.609,70 0.245,71 0.03,72 0.272,73 4.147,74 1.113,75 6.343,76 1.976,77 0.081,78 0.357,79 6.528,80 1.834,81 10.809,82 3.098,83 0.067,84 0.292,85 7.115,86 2.075,87 11.744,88 3.5,89 0.048,90 0.227,91 5.306,92 1.477,93 7.813,94 2.554,95 0.071,96 0.19,97 4.775,98 1.184,99 9.851,100 2.105,101 0.085,102 0.141,103 4.259,104 0.801,105 9.997,106 1.603,107 0.055,108 0.066,109 2.993,110 0.553,111 7.13,112 1.132,113 0.012,114 0.012,115 0.944,116 0.244,117 1.68,118 0.43,119 5,120 10,121 0.33,122 0.757,123 0.892,124 0.892,125 0.892,126 0.892,127 2.348,128 0.929,133 1,137 2,145 1,146 1,150 1,151 1,152 1,153 1,158 1,160 1,162 1,164 1,167 1,171 2,174 1,180 1,186 1,187 1,195 1,197 1,213 54,214 6.268,215 6.268,216 6.268,217 6.268,218 6.268,219 5.464,220 4.006,221 4.187,222 6.421,223 4.432,224 4.432,225 4.432,226 4.432,227 4.432,228 3.243,229 3.835,230 1.963,231 4.668,232 2.711,233 0.82,234 0.222,235 0.222,236 0.222,237 0.222,238 2.923,241 86,242 1.871,244 23.84,247 0.815,248 5.023,251 1,252 0.83,253 0.83,254 0.6,256 1,257 0.75,258 19.5,259 44,260 3.963,261 2.556,262 5.352,263 3.497,264 2.541,265 3.541,266 0.522,267 6.996,268 2.428,269 3.036,270 1.903,271 3.611,272 2.517,273 1.555,274 2.131,276 3.051,277 1.493,278 2.44,279 1.207,280 3.133,281 2.032,282 1.1,283 1.394,285 2.113,286 1.023,287 2.118,288 0.618,289 3,290 1.532,291 0.618,292 0.927,294 1.372,295 0.564,296 1.557,297 0.32,298 2.25,299 1.119,300 0.172,301 0.228,302 0.265,303 0.162,304 0.272,305 -0.616,306 1.126,307 0.046,308 -0.909,309 -0.987,310 -1.697,311 -0.865,312 -0.118,313 -1.4,314 1,315 -0.587,316 -1.53,317 -2.131,318 -3.008,319 -1.429,320 -0.192,321 -1.618,322 0.397,323 -0.682,324 -1.618,325 -2.427,327 -4.372,328 -1.513,329 -0.577,330 -1.89,331 0.131,332 -0.974,333 -1.928,334 -2.676,335 -0.522,336 -4.721,337 -1.862,392 4.2,393 0.068,394 0.008,395 11.25,396 1.25,397 5.5,398 0.611,399 5.75,400 0.639,401 3.88,402 0.431,403 10.2,404 0.567,405 5.419,406 0.602,407 2.532,408 0.281,409 1.9,410 0.211,411 0.095,413 0.119,415 1.283,416 1.479,417 0.954,418 1.089,419 1.325,420 0.985,421 1.07,422 1.147,423 1.072,424 1.117,425 1.019,426 1.098,427 0.788,428 0.977,429 0.946,430 1.045,431 0.794,432 1.024,433 0.862,434 1.092,435 0.958,436 1.085,437 0.935,438 1.043,439 0.877,440 1.013,441 1.016,442 1.086,443 0.777,444 1.075,445 1.325,446 0.842,447 1.269,448 0.992,449 1.302,450 1.105,451 1.303,452 0.36,453 1.048,454 0.516,455 1.401,456 0.712,463 1,465 0.444,466 0.222,467 0.125,468 0.08,469 0.056,473 360,474 1048,475 1.937,476 50,478 4,479 1,480 1,481 3,485 1.338,486 1.862,487 2.423,488 1.83,493 26.265,494 1.459,495 3.35,496 3.948,497 3.948,498 3.948,499 3.948,500 1.891,501 2.419,502 3.14,503 2.424,504 87.249,505 4.953,506 490.319,511 75.059,512 0.986,513 3.128,514 0.111,516 0.044,517 0.037,518 0.025,519 0.02,520 0.028,524 0.265,525 1,526 1.761,527 27.634,528 -0.242,529 -0.023,530 -0.001,531 -0.281,532 0.02,533 -0.075,534 0.007,535 -0.145,536 -0.092,537 -0.111,538 -0.124,539 -0.047,540 -0.095,541 -0.029,542 -0.058,543 -0.014,544 -0.043,545 -0.062,546 -0.179,547 -0.035,548 -0.105,549 -0.116,550 -0.071,551 0.122,552 -0.116,553 -0.064,554 -0.19,555 0.186,556 -0.161,557 -0.068,558 -0.009,559 -0.282,560 -0.234,561 -0.05,562 -0.284,563 -0.25,564 0.215,565 -0.056,566 0.201,567 -0.253,568 0.116,569 0.522,570 0.246,571 0.987,572 0.796,573 0.611,574 0.943,575 0.938,576 1.22,577 0.556,578 3.778,579 0.998,580 0.003,581 0.628,582 2.303,583 2.398,584 2.485,585 2.565,586 2.197,587 1.946,588 1.609,589 1.099,592 3.14,593 0.591,594 123.18,595 2.303,596 3.664,597 4.394,598 5.153,599 5.911,600 6.681,601 7.447,602 8.221,603 8.991,604 9.765,605 1,610 1,612 1,613 2,614 1,615 1,616 1,617 5,622 18,623 6,625 9,626 18,627 6,628 3,631 2,632 1,633 1,636 1,642 5,643 1,645 1,648 2,654 9,655 2,656 3,657 3,658 1,659 3,660 1,664 1,670 2,672 1,673 1,676 9,677 1,679 1,691 4.833,692 2.867,693 2.25,694 0.894,695 1.275,696 1.298,697 0.945,698 2.186,699 6.699}
{0 CHEMBL120717,1 2.971,2 11,3 15.189,4 1.118,5 9,6 5,7 3.061,8 3.944,9 0.476,10 0.047,11 45,12 0.056,13 14,14 -4.29,15 -4.23,16 -3.99,17 1.469,18 7.864,19 8.825,20 85.439,21 7.359,22 0.5,23 3.778,24 3.891,25 3.335,26 3.361,27 4.92,28 3.33,29 4.282,30 4.446,31 3.701,32 3.736,33 5.369,34 3.691,35 4.53,36 4.715,37 3.748,38 3.854,39 5.66,40 3.791,41 4.593,42 4.801,43 3.738,44 3.853,45 5.675,46 3.778,47 4.63,48 4.853,49 3.662,50 3.839,51 5.673,52 3.745,53 4.57,54 4.812,55 3.574,56 3.765,57 5.615,58 3.669,59 4.474,60 4.701,61 3.468,62 3.657,63 5.725,64 3.554,65 4.327,66 4.537,67 3.029,68 3.453,69 5.488,70 3.307,71 0.049,72 0.553,73 8.066,74 3.784,75 8.202,76 4.826,77 0.092,78 0.897,79 14.434,80 6.073,81 13.593,82 8.214,83 0.231,84 1.112,85 19.706,86 7.257,87 40.5,88 9.7,89 0.218,90 1.16,91 21.559,92 7.924,93 38.94,94 10.814,95 0.273,96 1.181,97 23.013,98 8.232,99 44.844,100 11.283,101 0.219,102 1.086,103 22.123,104 7.964,105 36.498,106 10.963,107 0.259,108 0.943,109 19.976,110 7.63,111 58.03,112 10.251,113 0.257,114 0.767,115 17.549,116 6.667,117 56.794,118 8.394,119 18,120 34,121 0.26,122 0.586,123 0.729,124 0.862,125 0.892,126 0.892,127 3.148,128 0.91,129 2,130 1,134 1,141 8,142 3,143 1,147 1,148 1,154 1,157 1,158 6,162 2,166 1,167 6,171 2,173 10,176 9,178 1,180 2,182 8,185 10,187 1,193 6,196 1,198 9,200 4,201 1,202 3,203 13,205 1,206 2,207 9,210 2,211 6,213 602,214 14.637,215 14.637,216 14.637,217 14.637,218 14.637,219 12.73,220 16.23,221 8.59,222 14.736,223 11.844,224 11.844,225 11.844,226 11.844,227 11.844,228 9.066,229 21.588,230 4.068,231 12.023,232 3.853,233 2.013,234 1.207,235 0.457,236 0.288,237 0.288,238 3.823,239 1,240 1,241 367,242 2.55,244 57.596,245 141.275,247 1.174,248 21.068,249 1,250 1,251 1,252 1,253 1,254 0.8,255 0.5,256 1,257 0.9,258 47,259 173,260 4.448,261 3.763,262 6.73,263 4.176,264 3.204,265 3.982,266 1.909,267 10.98,268 3.111,269 4.184,270 3.284,271 6.372,272 3.841,273 2.861,274 3.725,275 0.782,276 9.639,277 2.802,278 3.883,279 3.017,280 5.642,281 3.517,282 2.523,283 3.234,284 0.561,285 7.406,286 2.502,287 3.428,288 2.584,289 5.056,290 3.081,291 2.073,292 2.635,294 5.752,295 2.082,296 3.349,297 2.339,298 4.948,299 2.933,300 1.96,301 2.595,302 5.577,303 1.904,304 2.864,305 1.749,306 4.212,307 2.394,308 1.414,309 2.02,310 3.532,311 1.383,312 2.761,313 1.521,314 3.851,315 2.362,316 1.36,317 1.843,318 3.035,319 1.355,320 2.647,321 1.286,322 3.588,323 2.163,324 1.162,325 1.688,327 2.677,328 1.161,329 2.327,330 1.179,331 3.531,332 1.87,333 0.883,334 1.2,336 2.34,337 0.868,338 1.924,339 0.983,340 3.464,341 1.743,342 0.736,343 0.82,345 1.99,346 0.739,347 1.092,348 0.344,349 2.568,350 0.728,351 -0.208,352 -0.252,354 -0.467,355 -0.192,356 0.944,357 0.135,358 2.472,359 0.599,360 -0.399,361 -0.505,363 -0.889,364 -0.399,365 0.713,366 -0.129,367 2,368 0.317,369 -0.674,370 -0.848,372 -1.887,373 -0.666,374 0.631,375 -0.249,376 2,377 0.171,378 -0.814,379 -1.069,381 -2,382 -0.798,383 0.464,384 -0.717,385 1.832,386 0.099,387 -1,388 -1.278,390 -2.033,391 -1.075,392 10.467,393 0.613,394 0.028,395 28.75,396 1.307,397 15.5,398 0.705,399 13.25,400 0.602,401 16.738,402 0.761,403 23.133,404 0.578,405 20.433,406 0.929,407 5.843,408 0.266,409 4.716,410 0.214,411 0.159,413 0.373,415 0.708,416 1.057,417 0.798,418 0.983,419 0.727,420 0.921,421 0.589,422 1.206,423 0.764,424 1.02,425 0.539,426 0.931,427 1.153,428 1.114,429 1.093,430 1.027,431 1.059,432 1.038,433 1.01,434 1.156,435 1.005,436 1.058,437 0.932,438 1.029,439 1.097,440 1.078,441 1.068,442 1.017,443 1.047,444 1.029,445 1.062,446 0.862,447 0.945,448 0.879,449 0.983,450 0.882,451 0.969,452 0.92,453 0.975,454 1.043,455 1.008,456 1.014,457 1.806,458 1.013,459 1.454,460 1.177,461 2.134,462 1.276,463 4.5,464 0.012,465 2.667,466 1.722,467 1.434,468 0.931,469 0.624,470 0.222,471 0.168,472 0.057,473 4425,474 11583,475 2.043,476 45,477 3,478 9,481 1,482 5,485 1.652,486 1.886,487 2.989,488 -0.354,489 1,490 1,492 1,493 58.76,494 1.469,495 3.309,496 4.115,497 4.865,498 5.034,499 5.034,500 2.431,501 4.278,502 4.431,503 3.118,504 720.148,505 7.648,506 7769.97,507 1,508 1,509 1,510 1,511 212.877,512 1.495,513 4.376,514 0.188,515 0.006,516 0.078,517 0.051,518 0.043,519 0.031,520 0.022,521 0.009,522 0.012,523 0.007,524 0.448,525 0.67,526 0.853,527 99.13,528 0.023,529 0.035,530 0.039,531 -0.086,532 0.032,533 0.117,534 -0.127,535 0.119,536 -0.026,537 0.058,538 0.03,539 -0.097,540 -0.039,541 -0.15,542 -0.078,543 -0.079,544 -0.113,545 -0.014,546 -0.123,547 -0.045,548 -0.104,549 -0.023,550 -0.083,551 -0.06,552 -0.066,553 -0.088,554 -0.067,555 -0.071,556 -0.08,557 -0.081,558 0.122,559 0.047,560 0.081,561 -0.004,562 0.09,563 0.122,564 0.01,565 0.019,566 -0.058,567 0.234,568 -0.031,569 -0.325,570 -0.139,571 -0.435,572 -0.186,573 -0.375,574 -0.312,575 1.767,576 4.933,577 0.773,578 15.851,579 0.998,580 9.369,581 0.675,582 3.219,583 3.555,584 3.829,585 4.111,586 4.317,587 4.407,588 4.511,589 4.533,590 4.522,591 4.443,592 4.955,593 0.642,594 294.38,595 3.219,596 4.762,597 5.617,598 6.506,599 7.385,600 8.281,601 9.17,602 10.07,603 10.965,604 11.867,609 1,611 1,613 8,616 4,617 12,621 1,622 40,623 14,624 2,625 24,626 42,627 18,628 12,629 4,630 8,631 1,632 3,633 3,634 1,636 2,638 2,640 2,642 14,643 4,645 2,647 1,649 1,650 2,651 1,652 1,654 18,655 4,656 1,657 4,659 2,660 1,661 2,664 1,665 2,673 3,674 2,676 22,678 1,679 1,681 1,682 1,688 5,689 1,690 1,691 11.667,692 7.767,693 4.806,694 2.354,695 2.427,696 1.358,697 0.95,698 3.886,699 5.097}
{0 CHEMBL121432,1 2.703,2 9,3 12.355,4 1.121,5 8,6 4.9,7 2.541,8 3.943,9 0.47,10 0.045,11 43.9,12 0.089,13 13,14 -3.77,15 -3.73,16 -3.55,17 1.531,18 8.565,19 7.308,20 87.133,21 7.57,22 0.48,23 3.815,24 3.92,25 3.382,26 3.37,27 5.008,28 3.353,29 4.306,30 4.46,31 3.762,32 3.749,33 5.457,34 3.719,35 4.566,36 4.737,37 3.814,38 3.874,39 5.758,40 3.828,41 4.642,42 4.844,43 3.811,44 3.878,45 5.828,46 3.813,47 4.667,48 4.885,49 3.701,50 3.856,51 5.741,52 3.77,53 4.597,54 4.833,55 3.649,56 3.78,57 5.697,58 3.697,59 4.514,60 4.726,61 3.56,62 3.678,63 5.818,64 3.596,65 4.39,66 4.596,67 3.156,68 3.487,69 5.577,70 3.365,71 0.081,72 0.568,73 8.118,74 3.873,75 12.934,76 4.714,77 0.118,78 0.914,79 14.301,80 6.152,81 16.253,82 8.099,83 0.308,84 1.134,85 19.933,86 7.365,87 49.479,88 9.479,89 0.373,90 1.194,91 22.472,92 8.201,93 62.627,94 11.102,95 0.368,96 1.201,97 23.808,98 8.389,99 57.431,100 11.346,101 0.321,102 1.097,103 22.701,104 8.071,105 47.747,106 11.09,107 0.387,108 0.963,109 20.673,110 7.637,111 67.524,112 10.043,113 0.346,114 0.803,115 18.734,116 6.841,117 66.5,118 8.512,119 27,120 36,121 0.27,122 0.61,123 0.759,124 0.878,125 0.895,126 0.895,127 3.189,128 0.89,129 2,130 1,134 1,141 7,142 3,143 2,147 1,148 1,154 1,157 1,158 6,162 4,166 1,167 6,171 2,173 9,176 9,178 1,179 1,180 3,182 8,185 9,187 1,193 5,194 1,196 2,198 9,200 4,201 2,202 3,203 12,206 3,207 6,209 1,210 5,211 4,213 664,214 15.085,215 15.085,216 15.085,217 15.085,218 15.085,219 13.153,220 18.386,221 8.723,222 15.224,223 12.327,224 12.327,225 12.327,226 12.327,227 12.327,228 9.477,229 23.914,230 4.141,231 12.583,232 3.826,233 1.898,234 1.053,235 0.378,236 0.281,237 0.281,238 3.863,239 1,240 1,241 416,242 2.646,244 61.679,245 149.772,247 1.274,248 27.674,249 1,250 1,251 1,252 1,253 1,254 0.8,255 0.5,256 1,257 0.9,258 50,259 197,260 4.46,261 3.763,262 6.731,263 4.179,264 3.207,265 4.034,266 1.909,267 10.983,268 3.114,269 4.211,270 3.292,271 6.383,272 3.871,273 2.894,274 3.735,275 0.782,276 9.69,277 2.826,278 3.907,279 3.038,280 5.644,281 3.526,282 2.533,283 3.301,284 0.561,285 7.421,286 2.509,287 3.613,288 2.683,289 5.226,290 3.222,291 2.255,292 2.905,294 6.414,295 2.174,296 3.375,297 2.444,298 4.973,299 3.056,300 2.052,301 2.598,302 5.695,303 2.052,304 3.166,305 2.204,306 4.733,307 2.723,308 1.769,309 2.342,310 4.92,311 1.678,312 2.78,313 1.745,314 4.204,315 2.365,316 1.372,317 1.872,318 3.546,319 1.355,320 2.682,321 1.341,322 3.902,323 2.193,324 1.2,325 1.75,327 2.889,328 1.191,329 2.36,330 1.281,331 3.545,332 1.943,333 0.954,334 1.255,336 2.436,337 0.939,338 1.934,339 0.986,340 3.464,341 1.743,342 0.737,343 0.826,345 2.003,346 0.739,347 1.252,348 0.355,349 2.72,350 0.882,351 -0.059,352 -0.072,354 -0.143,355 -0.055,356 0.944,357 0.253,358 2.496,359 0.6,360 -0.399,361 -0.505,363 -0.889,364 -0.399,365 0.796,366 -0.071,367 2.359,368 0.399,369 -0.515,370 -0.621,372 -1.242,373 -0.46,374 0.712,375 -0.129,376 2,377 0.314,378 -0.676,379 -0.854,381 -1.931,382 -0.668,383 0.472,384 -0.249,385 2,386 0.1,387 -1,388 -1.2,390 -2,391 -1.021,392 10.8,393 0.72,394 0.031,395 30,396 1.304,397 16,398 0.696,399 14,400 0.609,401 17.763,402 0.772,403 24.6,404 0.6,405 22.306,406 0.97,407 6.083,408 0.264,409 4.869,410 0.212,411 0.185,413 0.407,415 0.807,416 1.042,417 0.798,418 0.961,419 0.82,420 0.897,421 0.586,422 1.225,423 0.716,424 1.034,425 0.525,426 0.919,427 1.131,428 1.138,429 1.114,430 1.054,431 1.063,432 1.065,433 0.802,434 1.155,435 0.959,436 1.065,437 0.753,438 1.037,439 1.006,440 1.073,441 1.072,442 1.016,443 0.974,444 1.043,445 0.847,446 0.87,447 0.88,448 0.887,449 0.821,450 0.878,451 0.959,452 0.931,453 1.001,454 1.053,455 1.04,456 1.038,457 1.569,458 0.997,459 1.397,460 1.15,461 1.814,462 1.244,463 5.5,464 0.054,465 2.889,466 1.91,467 1.626,468 1.042,469 0.673,470 0.312,471 0.267,472 0.088,473 4992,474 14422,475 2.016,476 43.9,477 3,478 8,481 2,482 5,485 1.663,486 1.84,487 3.081,488 0.278,489 1,490 1,492 1,493 62.787,494 1.531,495 3.459,496 4.305,497 4.979,498 5.077,499 5.077,500 2.494,501 4.23,502 4.494,503 3.209,504 811.824,505 7.771,506 9014.05,507 1,508 1,510 1,511 219.66,512 1.538,513 4.428,514 0.22,515 0.013,516 0.08,517 0.053,518 0.046,519 0.034,520 0.022,521 0.012,522 0.017,523 0.007,524 0.505,525 0.5,526 0.872,527 105.648,528 -0.043,529 0.012,530 0.08,531 -0.123,532 0.052,533 0.083,534 -0.129,535 0.139,536 -0.022,537 0.07,538 0.049,539 -0.141,540 -0.054,541 -0.194,542 -0.094,543 -0.121,544 -0.142,545 0.086,546 -0.122,547 -0.013,548 -0.102,549 0.08,550 -0.079,551 -0.085,552 -0.061,553 -0.105,554 -0.06,555 -0.09,556 -0.082,557 0.005,558 0.115,559 0.101,560 0.079,561 0.037,562 0.11,563 0.096,564 0.015,565 -0.012,566 -0.072,567 0.117,568 -0.059,569 -0.282,570 -0.111,571 -0.381,572 -0.164,573 -0.339,574 -0.274,575 1.815,576 4.947,577 0.739,578 17.516,579 1.006,580 6.458,581 0.67,582 3.258,583 3.611,584 3.871,585 4.159,586 4.369,587 4.489,588 4.554,589 4.615,590 4.682,591 4.575,592 5.192,593 0.644,594 310.38,595 3.258,596 4.812,597 5.666,598 6.561,599 7.439,600 8.34,601 9.228,602 10.132,603 11.025,604 11.93,609 1,611 1,613 7,616 5,617 12,621 2,622 41,623 14,624 2,625 25,626 43,627 18,628 12,629 5,630 7,631 1,632 3,633 3,634 1,636 2,638 2,640 2,642 14,643 4,645 2,647 1,649 1,650 2,651 1,652 1,654 18,655 5,656 2,657 5,659 2,660 1,661 3,664 1,665 2,673 3,674 2,676 23,678 2,679 1,681 1,682 1,688 7.3,689 2,690 1,691 12.5,692 7.883,693 4.972,694 2.348,695 2.436,696 1.354,697 0.925,698 4.095,699 4.602}
{0 CHEMBL225304,1 -1.542,4 1.219,6 36.4,7 -1.453,8 3.193,9 0.42,11 9.1,12 -0.744,14 0.22,15 0.06,16 -0.15,17 1.322,18 2.6,19 2.378,20 19.928,21 6.737,23 2.516,24 2.766,25 1.864,26 1.546,27 4.013,28 1.619,29 2.695,30 2.976,31 1.917,32 1.654,33 4.148,34 1.638,35 2.661,36 2.956,37 1.542,38 1.492,39 4.164,40 1.452,41 2.587,42 2.96,43 0.595,44 1.248,45 3.611,46 1.056,47 2.091,48 2.539,49 0.055,50 0.77,51 2.197,52 0.441,71 0.096,72 0.057,73 2.897,74 0.237,75 16.061,76 0.792,77 0.11,78 0.043,79 3.463,80 0.444,81 15.207,82 1.094,83 0.131,84 0.022,85 3.462,86 0.272,87 20.571,88 0.854,89 0.119,90 0.007,91 3.22,92 0.199,93 20.955,94 0.733,95 0.057,96 0.001,97 1.819,98 0.169,99 8.999,100 0.487,119 13,120 4,121 0.382,122 0.54,123 0.685,124 0.685,125 0.503,126 0.283,127 1.91,128 0.794,149 1,151 3,152 3,153 3,155 1,156 1,159 2,160 2,161 1,163 2,165 1,170 2,172 4,175 2,213 11,214 2.992,215 2.992,216 2.992,217 2.992,218 2.992,219 2.439,220 3.926,221 1.919,222 3.142,223 1.894,224 1.894,225 1.894,226 1.894,227 1.894,228 1.408,229 3.909,230 0.858,231 2.076,232 2.137,233 1.592,234 1.091,235 1.091,236 1.72,237 2.482,238 2.272,241 19,242 2,247 0.48,248 3.796,251 0.75,252 0.5,253 0.67,254 0.5,255 0.5,256 0.83,257 0.68,258 12,259 13,260 3.618,261 2.748,262 4.562,263 3.078,264 2.17,265 2.856,266 1.072,267 4.842,268 1.97,269 1.382,270 0.524,271 2,272 1.278,273 0.311,274 0.322,276 0.384,277 0.3,279 -0.6,280 1,281 -0.1,282 -1,283 -1,284 -0.4,285 -2,286 -0.9,288 -0.972,289 0.438,290 -0.557,291 -1.481,292 -2.177,293 -0.672,294 -3.226,295 -1.37,392 2.1,393 0.144,394 0.029,395 4.25,396 0.85,397 1.5,398 0.3,399 2.75,400 0.55,401 2.158,402 0.432,403 6.9,404 0.627,405 2.275,406 0.455,407 1.256,408 0.251,409 1.014,410 0.203,411 0.571,413 0.238,415 1.575,416 2.128,417 1.176,418 0.999,419 1.774,420 0.966,421 0.449,422 1.502,423 0.728,424 1.767,425 0.347,426 1.229,427 1.404,428 0.85,429 1.523,430 1.328,431 1.156,432 1.49,433 1.38,434 0.332,435 1.292,436 0.509,437 1.573,438 0.958,463 1.5,465 0.444,473 36,474 215,475 1.431,476 54.5,481 6,485 1.067,486 1.304,487 1.732,488 7.612,493 14.544,494 1.322,495 1.868,496 2.369,497 2.369,498 1.74,499 0.978,500 0.971,501 1.922,502 2.291,503 1.522,504 15.219,505 3.197,506 57.549,511 38.054,512 1.371,513 2.156,514 0.375,516 0.111,524 0.486,525 0.5,526 0.971,527 9.757,528 -0.579,529 -0.207,530 0.182,531 -0.716,532 0.076,533 0.425,534 0.103,535 0.177,536 -0.356,537 0.43,538 -0.117,539 -0.401,540 0.116,541 -0.605,542 -0.547,543 -0.185,544 -0.655,545 -0.492,546 -0.079,547 -0.425,548 -0.072,549 -0.575,550 -0.265,551 0.685,552 0.02,553 0.827,554 0.593,555 0.649,556 0.787,575 1.759,576 0.694,578 1.36,579 1.026,580 2.112,581 0.526,582 1.609,583 1.609,584 1.099,592 1.949,593 0.51,594 74.11,595 1.609,596 2.833,597 3.367,598 4.007,599 4.575,600 5.22,601 5.796,602 6.444,603 7.022,604 7.671,605 2,606 1,611 1,622 11,623 1,625 4,626 10,627 1,635 1,642 1,645 1,649 1,650 1,654 6,655 4,656 6,657 4,659 4,672 2,676 5,677 3,691 3.833,692 1.45,693 1.333,694 0.283,695 0.318,696 1.115,697 0.859,698 1.677,699 6.854}
{0 CHEMBL330979,1 -0.281,2 1,3 3.447,4 1.152,6 16.7,7 -0.059,8 3.741,9 0.467,10 0.046,11 33.3,12 -0.18,14 -1.17,15 -1.26,16 -1.34,17 1.459,18 4.889,19 0.079,20 37.433,21 6.843,22 0.556,23 2.982,24 3.152,25 2.454,26 2.409,27 4.146,28 2.395,29 3.387,30 3.606,31 2.599,32 2.678,33 4.479,34 2.613,35 3.438,36 3.731,37 2.193,38 2.542,39 4.317,40 2.385,41 3.159,42 3.439,43 2.027,44 2.291,45 4.043,46 2.159,47 3.04,48 3.328,49 1.902,50 2.095,51 4.027,52 1.966,53 2.9,54 3.212,55 1.515,56 1.803,57 3.892,58 1.646,59 2.532,60 2.912,61 0.472,62 1.276,63 3.178,64 1.009,65 1.515,66 1.922,67 0.028,68 0.457,69 1.609,70 0.245,71 0.03,72 0.272,73 4.147,74 1.113,75 6.343,76 1.976,77 0.081,78 0.357,79 6.528,80 1.834,81 10.809,82 3.098,83 0.067,84 0.292,85 7.115,86 2.075,87 11.744,88 3.5,89 0.048,90 0.227,91 5.306,92 1.477,93 7.813,94 2.554,95 0.071,96 0.19,97 4.775,98 1.184,99 9.851,100 2.105,101 0.085,102 0.141,103 4.259,104 0.801,105 9.997,106 1.603,107 0.055,108 0.066,109 2.993,110 0.553,111 7.13,112 1.132,113 0.012,114 0.012,115 0.944,116 0.244,117 1.68,118 0.43,119 5,120 10,121 0.33,122 0.757,123 0.892,124 0.892,125 0.892,126 0.892,127 2.348,128 0.929,133 1,137 2,145 1,146 1,150 1,151 1,152 1,153 1,158 1,160 1,162 1,164 1,167 1,171 2,174 1,180 1,186 1,187 1,195 1,197 1,213 54,214 6.268,215 6.268,216 6.268,217 6.268,218 6.268,219 5.464,220 4.006,221 4.187,222 6.421,223 4.432,224 4.432,225 4.432,226 4.432,227 4.432,228 3.243,229 3.835,230 1.963,231 4.668,232 2.711,233 0.82,234 0.222,235 0.222,236 0.222,237 0.222,238 2.923,241 86,242 1.871,244 23.84,247 0.815,248 5.023,251 1,252 0.83,253 0.83,254 0.6,256 1,257 0.75,258 19.5,259 44,260 3.963,261 2.556,262 5.352,263 3.497,264 2.541,265 3.541,266 0.522,267 6.996,268 2.428,269 3.036,270 1.903,271 3.611,272 2.517,273 1.555,274 2.131,276 3.051,277 1.493,278 2.44,279 1.207,280 3.133,281 2.032,282 1.1,283 1.394,285 2.113,286 1.023,287 2.118,288 0.618,289 3,290 1.532,291 0.618,292 0.927,294 1.372,295 0.564,296 1.557,297 0.32,298 2.25,299 1.119,300 0.172,301 0.228,302 0.265,303 0.162,304 0.272,305 -0.616,306 1.126,307 0.046,308 -0.909,309 -0.987,310 -1.697,311 -0.865,312 -0.118,313 -1.4,314 1,315 -0.587,316 -1.53,317 -2.131,318 -3.008,319 -1.429,320 -0.192,321 -1.618,322 0.397,323 -0.682,324 -1.618,325 -2.427,327 -4.372,328 -1.513,329 -0.577,330 -1.89,331 0.131,332 -0.974,333 -1.928,334 -2.676,335 -0.522,336 -4.721,337 -1.862,392 4.2,393 0.068,394 0.008,395 11.25,396 1.25,397 5.5,398 0.611,399 5.75,400 0.639,401 3.88,402 0.431,403 10.2,404 0.567,405 5.419,406 0.602,407 2.532,408 0.281,409 1.9,410 0.211,411 0.095,413 0.119,415 1.283,416 1.479,417 0.954,418 1.089,419 1.325,420 0.985,421 1.07,422 1.147,423 1.072,424 1.117,425 1.019,426 1.098,427 0.788,428 0.977,429 0.946,430 1.045,431 0.794,432 1.024,433 0.862,434 1.092,435 0.958,436 1.085,437 0.935,438 1.043,439 0.877,440 1.013,441 1.016,442 1.086,443 0.777,444 1.075,445 1.325,446 0.842,447 1.269,448 0.992,449 1.302,450 1.105,451 1.303,452 0.36,453 1.048,454 0.516,455 1.401,456 0.712,463 1,465 0.444,466 0.222,467 0.125,468 0.08,469 0.056,473 360,474 1048,475 1.937,476 50,478 4,479 1,480 1,481 3,485 1.338,486 1.862,487 2.423,488 1.83,493 26.265,494 1.459,495 3.35,496 3.948,497 3.948,498 3.948,499 3.948,500 1.891,501 2.419,502 3.14,503 2.424,504 87.249,505 4.953,506 490.319,511 75.059,512 0.986,513 3.128,514 0.111,516 0.044,517 0.037,518 0.025,519 0.02,520 0.028,524 0.265,525 1,526 1.761,527 27.634,528 -0.242,529 -0.023,530 -0.001,531 -0.281,532 0.02,533 -0.075,534 0.007,535 -0.145,536 -0.092,537 -0.111,538 -0.124,539 -0.047,540 -0.095,541 -0.029,542 -0.058,543 -0.014,544 -0.043,545 -0.062,546 -0.179,547 -0.035,548 -0.105,549 -0.116,550 -0.071,551 0.122,552 -0.116,553 -0.064,554 -0.19,555 0.186,556 -0.161,557 -0.068,558 -0.009,559 -0.282,560 -0.234,561 -0.05,562 -0.284,563 -0.25,564 0.215,565 -0.056,566 0.201,567 -0.253,568 0.116,569 0.522,570 0.246,571 0.987,572 0.796,573 0.611,574 0.943,575 0.938,576 1.22,577 0.556,578 3.778,579 0.998,580 0.003,581 0.628,582 2.303,583 2.398,584 2.485,585 2.565,586 2.197,587 1.946,588 1.609,589 1.099,592 3.14,593 0.591,594 123.18,595 2.303,596 3.664,597 4.394,598 5.153,599 5.911,600 6.681,601 7.447,602 8.221,603 8.991,604 9.765,605 1,610 1,612 1,613 2,614 1,615 1,616 1,617 5,622 18,623 6,625 9,626 18,627 6,628 3,631 2,632 1,633 1,636 1,642 5,643 1,645 1,648 2,654 9,655 2,656 3,657 3,658 1,659 3,660 1,664 1,670 2,672 1,673 1,676 9,677 1,679 1,691 4.833,692 2.867,693 2.25,694 0.894,695 1.275,696 1.298,697 0.945,698 2.186,699 6.77}
{0 CHEMBL331009,1 2.971,2 11,3 15.108,4 1.118,5 8,6 5,7 3.061,8 3.947,9 0.476,10 0.047,11 45,12 0.056,13 14,14 -4.29,15 -4.23,16 -3.99,17 1.469,18 7.818,19 8.825,20 85.439,21 7.359,22 0.5,23 3.778,24 3.891,25 3.335,26 3.361,27 4.92,28 3.33,29 4.282,30 4.446,31 3.701,32 3.736,33 5.367,34 3.691,35 4.53,36 4.716,37 3.768,38 3.862,39 5.654,40 3.803,41 4.596,42 4.788,43 3.772,44 3.886,45 5.692,46 3.812,47 4.711,48 4.95,49 3.696,50 3.89,51 5.725,52 3.789,53 4.624,54 4.879,55 3.581,56 3.788,57 5.669,58 3.684,59 4.418,60 4.61,61 3.436,62 3.641,63 5.73,64 3.543,65 4.381,66 4.629,67 3.067,68 3.472,69 5.464,70 3.314,71 0.049,72 0.553,73 8.066,74 3.784,75 8.252,76 4.826,77 0.092,78 0.897,79 14.434,80 6.073,81 13.716,82 8.214,83 0.234,84 1.113,85 19.726,86 7.258,87 39.712,88 9.7,89 0.194,90 1.178,91 21.107,92 7.97,93 37.658,94 10.772,95 0.316,96 1.281,97 25.439,98 8.816,99 46.868,100 12.26,101 0.226,102 1.134,103 23.702,104 8.498,105 39.448,106 11.817,107 0.277,108 0.879,109 18.439,110 7.28,111 64.736,112 9.319,113 0.218,114 0.812,115 18.971,116 7.242,117 49.402,118 9.617,119 18,120 34,121 0.26,122 0.586,123 0.715,124 0.839,125 0.883,126 0.892,127 3.148,128 0.911,129 2,130 1,134 1,141 8,142 3,143 1,147 1,148 1,154 1,157 1,158 6,162 2,166 1,167 6,171 2,173 10,176 10,178 1,180 2,182 9,185 10,187 1,193 6,196 1,198 11,200 3,201 1,202 3,203 12,205 1,206 3,207 10,210 1,211 5,213 594,214 14.69,215 14.69,216 14.69,217 14.69,218 14.69,219 12.755,220 14.662,221 8.627,222 14.788,223 11.828,224 11.828,225 11.828,226 11.828,227 11.828,228 9.043,229 18.695,230 4.059,231 12.007,232 3.853,233 2.013,234 1.288,235 0.588,236 0.338,237 0.288,238 3.823,239 1,240 1,241 365,242 2.55,244 56.751,245 140.584,247 1.14,248 21.068,249 1,250 1,251 1,252 1,253 1,254 0.8,255 0.5,256 1,257 0.9,258 47,259 172,260 4.469,261 3.769,262 6.803,263 4.204,264 3.23,265 3.993,266 1.909,267 11.213,268 3.145,269 4.245,270 3.3,271 6.407,272 3.877,273 2.894,274 3.836,275 0.782,276 9.768,277 2.843,278 3.898,279 3.099,280 5.927,281 3.566,282 2.577,283 3.213,284 0.561,285 8.057,286 2.539,287 3.422,288 2.589,289 5.058,290 3.013,291 2.022,292 2.635,294 5.683,295 1.996,296 3.076,297 2.16,298 4.804,299 2.725,300 1.734,301 2.23,302 4.833,303 1.712,304 2.863,305 1.581,306 4,307 2.414,308 1.414,309 2.02,310 3.231,311 1.414,312 2.858,313 1.516,314 3.801,315 2.392,316 1.414,317 2.006,318 3.038,319 1.377,320 2.672,321 1.471,322 3.603,323 2.214,324 1.21,325 1.709,327 2.884,328 1.211,329 2.339,330 1.179,331 3.567,332 1.874,333 0.888,334 1.218,336 2.333,337 0.872,338 1.935,339 0.984,340 3.514,341 1.754,342 0.744,343 0.831,345 1.987,346 0.749,347 1.093,348 0.354,349 2.573,350 0.816,351 -0.165,352 -0.195,354 -0.369,355 -0.159,356 1.087,357 0.16,358 2.478,359 0.697,360 -0.251,361 -0.312,363 -0.565,364 -0.239,365 0.65,366 0.111,367 2,368 0.215,369 -0.78,370 -1.015,372 -1.915,373 -0.775,374 0.628,375 -0.431,376 2,377 0.169,378 -0.818,379 -1.073,381 -2,382 -0.802,383 0.464,384 -0.723,385 1.834,386 0.098,387 -1,388 -1.289,390 -2.019,391 -1.076,392 10.467,393 0.597,394 0.027,395 28.75,396 1.307,397 15.5,398 0.705,399 13.25,400 0.602,401 16.943,402 0.77,403 23.133,404 0.578,405 20.455,406 0.93,407 5.859,408 0.266,409 4.717,410 0.214,411 0.159,413 0.373,415 0.708,416 1.057,417 0.798,418 0.983,419 0.725,420 0.921,421 0.589,422 1.206,423 0.764,424 1.02,425 0.545,426 0.931,427 1.148,428 1.074,429 1.054,430 0.981,431 1.045,432 0.99,433 1.007,434 1.281,435 1.071,436 1.17,437 0.942,438 1.132,439 1.085,440 0.997,441 1.047,442 0.942,443 0.979,444 0.972,445 0.99,446 0.815,447 0.901,448 0.859,449 0.909,450 0.854,451 1.302,452 1.022,453 1.178,454 1.168,455 1.561,456 1.169,457 1.302,458 0.915,459 1.142,460 1.055,461 1.457,462 1.09,463 4,465 2.889,466 1.847,467 1.389,468 1.091,469 0.527,470 0.285,471 0.115,472 0.054,473 4357,474 11471,475 2.043,476 45,477 3,478 9,481 1,482 5,485 1.653,486 1.886,487 2.964,488 -0.354,489 1,490 1,492 1,493 58.76,494 1.469,495 3.309,496 4.034,497 4.734,498 4.984,499 5.034,500 2.379,501 4.152,502 4.432,503 3.082,504 711.901,505 7.653,506 7660.22,507 1,508 1,509 1,510 1,511 212.877,512 1.495,513 4.376,514 0.167,516 0.085,517 0.053,518 0.041,519 0.035,520 0.019,521 0.012,522 0.008,523 0.009,524 0.428,525 0.67,526 0.853,527 98.813,528 0.023,529 0.035,530 0.039,531 -0.084,532 0.032,533 0.117,534 -0.127,535 0.119,536 -0.026,537 0.053,538 0.03,539 -0.092,540 0.002,541 -0.11,542 -0.03,543 -0.066,544 -0.064,545 -0.023,546 -0.235,547 -0.129,548 -0.213,549 -0.041,550 -0.193,551 -0.068,552 0.017,553 -0.055,554 -0.002,555 -0.061,556 -0.02,557 -0.046,558 0.153,559 0.101,560 0.102,561 0.046,562 0.128,563 0.015,564 -0.1,565 -0.193,566 -0.171,567 0.065,568 -0.204,569 -0.132,570 -0.059,571 -0.121,572 -0.058,573 -0.139,574 -0.087,575 1.765,576 4.959,577 0.773,578 15.455,579 0.998,580 9.369,581 0.675,582 3.219,583 3.555,584 3.85,585 4.127,586 4.331,587 4.419,588 4.5,589 4.533,590 4.511,591 4.407,592 4.868,593 0.642,594 294.38,595 3.219,596 4.762,597 5.624,598 6.515,599 7.401,600 8.3,601 9.195,602 10.098,603 10.997,604 11.903,609 1,611 1,613 8,616 4,617 12,621 1,622 40,623 14,624 2,625 24,626 42,627 18,628 12,629 4,630 8,631 1,632 3,633 3,634 1,636 2,638 2,640 2,642 14,643 4,645 2,647 1,649 1,650 2,651 1,652 1,654 18,655 4,656 1,657 4,659 2,660 1,661 2,664 1,665 2,673 3,674 2,676 22,678 1,679 1,681 1,682 1,688 5,689 1,690 1,691 11.667,692 7.767,693 4.833,694 2.361,695 2.457,696 1.362,697 0.95,698 3.886,699 5.26}
{0 CHEMBL331650,1 2.703,2 9,3 12.279,4 1.121,5 7,6 4.9,7 2.541,8 3.946,9 0.47,10 0.046,11 43.9,12 0.089,13 13,14 -3.77,15 -3.73,16 -3.55,17 1.531,18 8.522,19 7.308,20 87.133,21 7.57,22 0.48,23 3.815,24 3.92,25 3.382,26 3.37,27 5.009,28 3.353,29 4.306,30 4.46,31 3.762,32 3.749,33 5.455,34 3.719,35 4.566,36 4.737,37 3.832,38 3.882,39 5.752,40 3.839,41 4.645,42 4.832,43 3.843,44 3.91,45 5.842,46 3.846,47 4.745,48 4.978,49 3.734,50 3.906,51 5.79,52 3.814,53 4.65,54 4.899,55 3.656,56 3.802,57 5.747,58 3.712,59 4.461,60 4.637,61 3.531,62 3.662,63 5.822,64 3.585,65 4.441,66 4.683,67 3.189,68 3.505,69 5.556,70 3.372,71 0.081,72 0.568,73 8.118,74 3.873,75 12.935,76 4.714,77 0.118,78 0.914,79 14.301,80 6.152,81 16.283,82 8.099,83 0.311,84 1.135,85 19.965,86 7.367,87 49.536,88 9.48,89 0.346,90 1.214,91 21.895,92 8.261,93 60.784,94 11.053,95 0.419,96 1.298,97 26.315,98 8.955,99 60.257,100 12.327,101 0.332,102 1.143,103 24.366,104 8.591,105 50.729,106 11.951,107 0.401,108 0.902,109 18.988,110 7.309,111 75.052,112 9.099,113 0.31,114 0.845,115 20.338,116 7.392,117 58.257,118 9.751,119 27,120 36,121 0.27,122 0.61,123 0.75,124 0.861,125 0.886,126 0.895,127 3.19,128 0.891,129 2,130 1,134 1,141 7,142 3,143 2,147 1,148 1,154 1,157 1,158 6,162 4,166 1,167 6,171 2,173 9,176 10,178 1,179 1,180 3,182 9,185 9,187 1,193 5,194 1,196 2,198 11,200 3,201 2,202 3,203 11,206 4,207 7,209 1,210 4,211 2,213 655,214 15.137,215 15.137,216 15.137,217 15.137,218 15.137,219 13.178,220 16.819,221 8.76,222 15.277,223 12.311,224 12.311,225 12.311,226 12.311,227 12.311,228 9.453,229 21.02,230 4.132,231 12.566,232 3.826,233 1.898,234 1.101,235 0.476,236 0.33,237 0.281,238 3.863,239 1,240 1,241 414,242 2.646,244 60.835,245 149.08,247 1.236,248 27.706,249 1,250 1,251 1,252 1,253 1,254 0.8,255 0.5,256 1,257 0.9,258 50,259 196,260 4.478,261 3.769,262 6.803,263 4.207,264 3.233,265 4.039,266 1.909,267 11.215,268 3.147,269 4.27,270 3.306,271 6.418,272 3.904,273 2.923,274 3.851,275 0.782,276 9.816,277 2.864,278 3.93,279 3.116,280 5.929,281 3.58,282 2.592,283 3.29,284 0.561,285 8.074,286 2.551,287 3.611,288 2.709,289 5.227,290 3.222,291 2.255,292 2.891,294 6.414,295 2.173,296 3.221,297 2.353,298 4.87,299 2.864,300 1.871,301 2.385,302 5.131,303 1.85,304 3.034,305 2.097,306 4.687,307 2.623,308 1.665,309 2.189,310 4.652,311 1.585,312 2.858,313 1.578,314 4.018,315 2.414,316 1.414,317 2.007,318 3.296,319 1.414,320 2.733,321 1.477,322 3.831,323 2.261,324 1.269,325 1.807,327 3.015,328 1.254,329 2.37,330 1.329,331 3.594,332 1.945,333 0.955,334 1.27,336 2.485,337 0.941,338 1.946,339 0.986,340 3.519,341 1.754,342 0.746,343 0.838,345 1.998,346 0.75,347 1.252,348 0.361,349 2.721,350 0.907,351 -0.045,352 -0.054,354 -0.108,355 -0.042,356 1.087,357 0.265,358 2.507,359 0.762,360 -0.221,361 -0.272,363 -0.502,364 -0.217,365 0.796,366 0.128,367 2.359,368 0.399,369 -0.515,370 -0.621,372 -1.242,373 -0.46,374 0.647,375 -0.071,376 2,377 0.209,378 -0.786,379 -1.027,381 -1.944,382 -0.78,383 0.471,384 -0.431,385 2,386 0.1,387 -1,388 -1.206,390 -2,391 -1.021,392 10.8,393 0.703,394 0.031,395 30,396 1.304,397 16,398 0.696,399 14,400 0.609,401 17.971,402 0.781,403 24.6,404 0.6,405 22.33,406 0.971,407 6.099,408 0.265,409 4.87,410 0.212,411 0.185,413 0.407,415 0.807,416 1.042,417 0.798,418 0.961,419 0.819,420 0.897,421 0.586,422 1.225,423 0.716,424 1.034,425 0.529,426 0.919,427 1.128,428 1.099,429 1.077,430 1.008,431 1.052,432 1.017,433 0.8,434 1.276,435 1.02,436 1.175,437 0.76,438 1.139,439 0.984,440 0.995,441 1.05,442 0.944,443 0.909,444 0.987,445 0.791,446 0.824,447 0.84,448 0.867,449 0.761,450 0.851,451 1.226,452 1.031,453 1.199,454 1.176,455 1.482,456 1.192,457 1.185,458 0.904,459 1.109,460 1.036,461 1.297,462 1.067,463 5,464 0.025,465 3.111,466 2.035,467 1.581,468 1.202,469 0.576,470 0.374,471 0.205,472 0.114,473 4920,474 14298,475 2.016,476 43.9,477 3,478 8,481 2,482 5,485 1.664,486 1.84,487 3.058,488 0.278,489 1,490 1,492 1,493 62.787,494 1.531,495 3.459,496 4.256,497 4.882,498 5.028,499 5.077,500 2.473,501 4.23,502 4.495,503 3.18,504 804.607,505 7.775,506 8894.65,507 1,508 1,510 1,511 219.66,512 1.538,513 4.428,514 0.2,515 0.006,516 0.086,517 0.055,518 0.044,519 0.038,520 0.019,521 0.015,522 0.012,523 0.011,524 0.487,525 0.5,526 0.872,527 105.339,528 -0.043,529 0.012,530 0.08,531 -0.122,532 0.052,533 0.083,534 -0.129,535 0.139,536 -0.022,537 0.066,538 0.049,539 -0.137,540 -0.014,541 -0.156,542 -0.046,543 -0.109,544 -0.092,545 0.076,546 -0.228,547 -0.095,548 -0.206,549 0.064,550 -0.188,551 -0.086,552 0.017,553 -0.069,554 0.002,555 -0.076,556 -0.022,557 0.033,558 0.145,559 0.153,560 0.099,561 0.076,562 0.148,563 0.004,564 -0.09,565 -0.223,566 -0.181,567 -0.032,568 -0.235,569 -0.12,570 -0.039,571 -0.083,572 -0.045,573 -0.142,574 -0.057,575 1.813,576 4.973,577 0.739,578 17.108,579 1.006,580 6.458,581 0.67,582 3.258,583 3.611,584 3.892,585 4.174,586 4.382,587 4.5,588 4.543,589 4.615,590 4.673,591 4.564,592 5.108,593 0.644,594 310.38,595 3.258,596 4.812,597 5.673,598 6.569,599 7.454,600 8.357,601 9.251,602 10.158,603 11.056,604 11.964,609 1,611 1,613 7,616 5,617 12,621 2,622 41,623 14,624 2,625 25,626 43,627 18,628 12,629 5,630 7,631 1,632 3,633 3,634 1,636 2,638 2,640 2,642 14,643 4,645 2,647 1,649 1,650 2,651 1,652 1,654 18,655 5,656 2,657 5,659 2,660 1,661 3,664 1,665 2,673 3,674 2,676 23,678 2,679 1,681 1,682 1,688 7.3,689 2,690 1,691 12.5,692 7.883,693 5,694 2.355,695 2.466,696 1.358,697 0.925,698 4.095,699 4}
{0 CHEMBL47011,1 0.492,2 1,4 1.188,6 10,7 0.915,8 3.619,9 0.437,10 0.058,11 30,12 -0.025,13 1,14 -2.14,15 -2.19,16 -2.17,17 1.685,18 4.8,19 0.242,20 34.239,21 7.409,23 3.056,24 3.225,25 2.517,26 2.409,27 4.366,28 2.415,29 3.569,30 3.777,31 2.931,32 2.674,33 5.209,34 2.68,35 3.874,36 4.14,37 2.829,38 2.723,39 5.449,40 2.696,41 3.747,42 4.028,43 2.664,44 2.534,45 5.399,46 2.501,47 3.454,48 3.767,49 2.217,50 2.193,51 5.093,52 2.133,53 2.96,54 3.298,55 1.19,56 1.721,57 4.241,58 1.533,59 2.23,60 2.619,61 0.269,62 1.054,63 2.944,64 0.762,65 1.02,66 1.365,67 0.014,68 0.255,69 1.099,70 0.13,71 0.105,72 0.38,73 4.29,74 1.659,75 34.537,76 2.16,77 0.355,78 0.655,79 8.297,80 2.546,81 85.381,82 3.375,83 0.589,84 0.494,85 12.904,86 2.865,87 131.129,88 3.922,89 0.518,90 0.416,91 11.483,92 2.363,93 111.341,94 3.37,95 0.339,96 0.265,97 8.602,98 1.663,99 83.762,100 2.503,101 0.191,102 0.063,103 5.134,104 0.832,105 42.767,106 1.588,107 0.067,108 0.012,109 2.404,110 0.427,111 16.84,112 0.894,113 0.016,114 0.001,115 0.568,116 0.083,117 3.402,118 0.191,119 34,120 12,121 0.384,122 0.715,123 0.825,124 0.87,125 0.87,126 0.821,127 2.436,128 0.937,130 1,133 1,134 1,135 1,139 1,140 1,151 2,152 2,153 2,162 2,164 2,171 2,173 1,174 2,188 1,189 1,190 2,191 1,192 1,196 1,199 1,213 72,214 6.017,215 6.017,216 6.017,217 6.017,218 6.017,219 5.886,220 6.698,221 3.409,222 6.192,223 4.254,224 4.254,225 4.254,226 4.254,227 4.254,228 3.957,229 7.562,230 1.441,231 4.63,232 2.636,233 1.18,234 0.7,235 0.5,236 0.5,237 0.716,238 2.958,241 81,242 3.464,247 0.68,248 22.325,251 1,252 0.83,253 0.83,254 1,255 1,256 1,257 0.95,258 24,259 48,260 4.21,261 3.999,262 6.722,263 4.081,264 3.201,265 3.212,266 1.51,267 10.919,268 2.801,269 3.65,270 2.972,271 4.909,272 3.13,273 2.17,274 2.486,275 0.769,276 5.584,277 2.065,278 2.585,279 0.883,280 3.36,281 1.46,282 0.503,283 0.715,285 0.715,286 0.477,287 1.436,288 0.651,289 2.71,290 1.239,291 0.311,292 0.388,294 0.403,295 0.287,296 0.56,297 0.51,298 2,299 0.42,300 -0.493,301 -0.515,302 -1.258,303 -0.443,305 -0.13,306 2,307 -0.3,308 -1,309 -1,310 -3,311 -0.7,312 -0.167,313 -0.741,314 1.218,315 -0.42,316 -1.373,317 -1.448,318 -3.038,319 -1.267,320 -0.463,321 -1.12,322 0.63,323 -0.561,324 -1.481,325 -1.685,326 -0.769,327 -4.211,328 -1.401,329 -0.81,330 -1.722,331 0.451,332 -0.85,333 -1.837,334 -2.153,335 -1.51,336 -6.114,337 -1.819,392 4.371,393 0.399,394 0.04,395 7.5,396 0.75,397 2,398 0.2,399 5.5,400 0.55,401 7.233,402 0.723,403 13.029,404 0.651,405 5.838,406 0.584,407 1.733,408 0.173,409 2.782,410 0.278,411 0.428,412 0.114,413 0.114,414 2,415 0.707,416 1.065,417 0.845,418 1.175,419 0.822,420 1.079,421 0.678,422 1.219,423 0.761,424 1.385,425 0.715,426 1.178,427 1.348,428 1.146,429 1.214,430 1.03,431 1.347,432 1.063,433 1.256,434 1.075,435 1.136,436 0.972,437 1.259,438 0.999,439 1.137,440 0.971,441 1.01,442 0.811,443 0.938,444 0.834,445 0.839,446 0.595,447 1.143,448 0.762,449 0.881,450 1.001,451 0.12,452 0.198,453 0.486,454 0.547,455 0.303,456 0.658,463 4,465 1.333,466 0.75,467 0.32,468 0.056,473 333,474 1801,475 1.578,476 50,478 3,479 1,481 4,484 2,485 1.393,486 1.412,487 2.358,488 2.838,493 33.71,494 1.685,495 3.141,496 3.622,497 3.822,498 3.822,499 3.606,500 1.761,501 2.646,502 3.292,503 2.372,504 106.756,505 5.318,506 670.03,511 86.439,512 1.685,513 3.128,514 0.444,516 0.111,517 0.075,518 0.04,519 0.011,524 0.682,525 0.83,526 1.761,527 32.053,528 -0.13,529 -0.085,530 0.088,531 -0.202,532 0.057,533 0.198,534 -0.125,535 0.125,536 -0.231,537 0.163,538 -0.119,539 -0.144,540 -0.004,541 -0.197,542 -0.057,543 -0.171,544 -0.139,545 -0.089,546 -0.022,547 -0.114,548 -0.068,549 -0.105,550 -0.104,551 -0.143,552 -0.133,553 -0.014,554 -0.006,555 0.054,556 0.041,557 -0.147,558 -0.029,559 -0.235,560 -0.057,561 -0.172,562 -0.148,563 0.203,564 -0.014,565 0.36,566 0.1,567 0.084,568 0.261,569 0.344,570 0.016,571 0.918,572 0.521,573 0.362,574 0.894,575 4.175,576 4.29,578 4.16,579 1.032,580 0.836,581 0.585,582 2.303,583 2.565,584 2.398,585 2.197,586 1.792,587 0.693,592 3.113,593 0.572,594 148.18,595 2.303,596 3.761,597 4.466,598 5.303,599 6.033,600 6.876,601 7.611,602 8.456,603 9.193,604 10.039,605 2,622 20,623 1,625 9,626 19,627 6,636 1,637 1,640 3,641 2,643 4,653 2,654 10,655 4,656 4,657 4,659 2,667 1,668 1,672 2,675 2,676 10,677 2,679 2,681 1,683 1,684 1,685 1,686 1,687 2,691 7.083,692 3.119,693 2.417,694 0.933,695 0.279,696 1.069,697 0.859,698 3.275,699 5.569}
{0 CHEMBL522,1 0.936,2 6,3 9.99,4 1.127,6 5.9,7 1.591,8 3.848,9 0.488,10 0.061,11 41.2,12 0.236,13 6,14 -2.82,15 -2.83,16 -2.74,17 1.253,18 3.875,19 0.876,20 34.531,21 6.304,22 0.75,23 2.887,24 3.038,25 2.298,26 2.465,27 3.973,28 2.398,29 3.307,30 3.503,31 2.447,32 2.755,33 4.277,34 2.638,35 3.477,36 3.737,37 2.293,38 2.725,39 4.331,40 2.55,41 3.322,42 3.624,43 1.766,44 2.36,45 4.169,46 2.131,47 2.986,48 3.348,49 1.106,50 1.827,51 3.701,52 1.546,53 2.23,54 2.619,55 0.269,56 1.054,57 2.708,58 0.762,59 1.02,60 1.365,61 0.014,62 0.255,63 1.099,64 0.13,71 0.026,72 0.232,73 3.916,74 1.539,75 5.007,76 2.258,77 0.035,78 0.333,79 5.997,80 2.467,81 6.857,82 3.582,83 0.035,84 0.358,85 7.062,86 2.907,87 8.412,88 4.25,89 0.044,90 0.29,91 6.097,92 2.148,93 10.358,94 3.302,95 0.036,96 0.184,97 4.28,98 1.408,99 8.207,100 2.219,101 0.016,102 0.073,103 1.868,104 0.631,105 3.568,106 0.986,107 0.003,108 0.013,109 0.389,110 0.145,111 0.582,112 0.221,119 3,120 9,121 0.29,122 0.575,123 0.641,124 0.745,125 0.782,126 0.782,127 2.259,128 1.002,133 1,141 5,142 1,151 1,152 1,153 1,162 1,164 1,171 2,173 3,174 2,180 2,183 2,189 1,191 1,213 32,214 5.56,215 5.56,216 5.56,217 5.56,218 5.56,219 4.809,220 5.219,221 3.557,222 5.57,223 3.894,224 3.894,225 3.894,226 3.894,227 3.894,228 2.827,229 7.223,230 1.624,231 3.915,232 2.834,233 1.601,234 1.316,235 0.868,236 0.706,237 0.706,238 2.815,241 60,242 1.225,245 22.457,247 0.656,248 2.755,251 1,252 0.83,253 0.83,254 0.5,255 0.5,256 1,257 0.81,258 16.5,259 31,260 3.887,261 2.716,262 5.31,263 3.495,264 2.499,265 3.44,266 0.522,267 6.822,268 2.49,269 2.917,270 1.605,271 3.592,272 2.491,273 1.496,274 2.086,276 3.063,277 1.488,278 2.5,279 1,280 3.247,281 2,282 1,283 1.5,285 2.136,286 1,287 1.583,288 0.686,289 2.546,290 1.371,291 0.425,292 0.478,294 0.604,295 0.4,296 0.613,297 -0.547,298 1.555,299 0.222,300 -0.757,301 -0.964,302 -1.393,303 -0.742,304 0.5,305 -1,306 1.105,308 -1,309 -1.5,310 -2.347,311 -1,312 -0.5,313 -1.379,314 0.447,315 -0.679,316 -1.662,317 -2.039,318 -4.096,319 -1.636,320 -0.5,321 -2,322 0.198,323 -1,324 -2,325 -3,326 -0.522,327 -4.789,328 -2,392 3.9,393 0.068,394 0.009,395 10.25,396 1.281,397 6,398 0.75,399 4.25,400 0.531,401 3.367,402 0.421,403 8.7,404 0.512,405 4.656,406 0.582,407 2.256,408 0.282,409 1.676,410 0.21,411 0.103,413 0.128,415 1.408,416 0.95,417 1.037,418 0.917,419 1.448,420 0.945,421 1.032,422 1.049,423 1.118,424 1.104,425 1.047,426 1.115,427 0.563,428 1.156,429 0.982,430 1.153,431 0.569,432 1.107,433 1.167,434 1.196,435 1.144,436 1.164,437 1.148,438 1.154,439 1.197,440 0.807,441 0.882,442 0.78,443 1.159,444 0.803,445 1.001,446 0.418,447 0.677,448 0.486,449 1.003,450 0.546,463 1,465 0.444,466 0.188,467 0.151,468 0.063,473 234,474 563,475 1.929,476 52.9,478 7,481 2,485 1.299,486 1.846,487 2.172,488 0.728,493 21.306,494 1.253,495 2.486,496 2.772,497 3.22,498 3.382,499 3.382,500 1.561,501 2.156,502 2.978,503 2.06,504 57.67,505 4.642,506 297.106,511 69.487,512 1.061,513 2.953,514 0.125,516 0.049,517 0.027,518 0.05,519 0.063,524 0.314,525 1,526 1.125,527 22.062,528 -0.244,529 -0.039,530 0.134,531 -0.306,532 0.074,533 -0.184,534 0.014,535 -0.168,536 -0.079,537 -0.197,538 -0.115,539 0.072,540 -0.242,541 -0.066,542 -0.178,543 0.097,544 -0.14,545 -0.077,546 -0.308,547 -0.214,548 -0.287,549 -0.068,550 -0.265,551 -0.025,552 -0.005,553 0.049,554 0.04,555 -0.007,556 0.048,557 -0.005,558 0.302,559 0.234,560 0.317,561 -0.015,562 0.297,563 0.477,564 0.557,565 0.883,566 0.816,567 0.507,568 0.868,575 0.86,576 1.35,577 0.75,578 2,579 0.979,580 2.532,581 0.65,582 2.197,583 2.303,584 2.398,585 2.398,586 2.398,587 1.609,588 1.099,592 2.535,593 0.596,594 107.17,595 2.197,596 3.555,597 4.29,598 5.043,599 5.796,600 6.555,601 7.311,602 8.072,603 8.828,604 9.589,605 1,613 5,616 1,617 6,622 17,623 6,624 1,625 8,626 17,627 7,628 6,629 1,630 5,632 1,633 1,636 1,642 6,643 1,654 9,655 1,656 2,657 1,659 1,660 1,665 1,672 1,673 1,676 8,677 1,679 1,691 4.333,692 2.75,693 2,694 0.903,695 1.219,696 1.295,697 0.947,698 1.649,699 3.254}
{0 CHEMBL534467,1 -0.244,3 3.609,4 1.155,6 13.8,7 -0.139,8 3.821,9 0.469,10 0.05,11 31,12 -0.4,14 -1.09,15 -1.19,16 -1.27,17 1.391,18 4.846,19 0.059,20 56.997,21 6.217,22 0.462,23 3.428,24 3.603,25 2.817,26 2.813,27 4.497,28 2.778,29 3.924,30 4.19,31 3.054,32 3.14,33 4.824,34 3.081,35 4.019,36 4.238,37 3.195,38 3.33,39 4.951,40 3.237,41 4.227,42 4.482,43 3.175,44 3.377,45 5.174,46 3.249,47 4.329,48 4.635,49 2.831,50 3.272,51 5.242,52 3.091,53 4.188,54 4.552,55 1.92,56 2.944,57 4.92,58 2.639,59 3.727,60 4.153,61 0.808,62 2.337,63 4.06,64 1.864,65 2.831,66 3.305,67 0.12,68 1.283,69 2.944,70 0.81,71 0.045,72 0.416,73 7.23,74 2,75 8.667,76 3.536,77 0.149,78 0.576,79 11.915,80 2.925,81 13.318,82 5.319,83 0.116,84 0.679,85 12.884,86 4.364,87 10.727,88 6.88,89 0.184,90 0.721,91 15.956,92 4.68,93 20.117,94 7.805,95 0.26,96 0.647,97 17.788,98 3.938,99 31.507,100 7.481,101 0.232,102 0.426,103 14.973,104 3.446,105 29.039,106 6.374,107 0.082,108 0.191,109 8.712,110 2.75,111 11.825,112 4.474,113 0.042,114 0.05,115 3.383,116 0.918,117 4.816,118 1.586,119 26,120 17,121 0.278,122 0.602,123 0.706,124 0.777,125 0.79,126 0.79,127 2.669,128 0.975,132 3,133 1,142 1,143 2,144 2,151 1,152 1,153 1,158 1,162 2,164 1,166 1,167 1,169 1,177 1,178 2,179 1,181 1,186 1,187 1,213 143,214 8.638,215 8.638,216 8.638,217 8.638,218 8.638,219 7.911,220 14.397,221 5.048,222 8.891,223 6.244,224 6.244,225 6.244,226 6.244,227 6.244,228 5.035,229 22.044,230 2.124,231 6.591,232 3.467,233 1.847,234 1.329,235 0.975,236 0.906,237 0.906,238 3.269,240 1,241 119,242 2.55,245 42.762,247 0.675,248 6.757,251 1,252 0.83,253 0.83,254 1,255 1,256 1,257 0.95,258 28,259 63,260 4.407,261 3.286,262 6.632,263 4.047,264 3.078,265 4.049,266 0.8,267 10.537,268 2.982,269 3.524,270 2.592,271 5.551,272 3.249,273 2.312,274 2.754,275 0.522,276 6.928,277 2.163,278 2.917,279 1.87,280 4.326,281 2.487,282 1.541,283 2.088,284 0.4,285 3.739,286 1.455,287 2.556,288 1.504,289 3.765,290 2.291,291 1.37,292 1.562,294 3.045,295 1.259,296 1.851,297 0.92,298 3,299 1.61,300 0.681,301 0.773,302 1.226,303 0.631,304 1.446,305 0.612,306 2.534,307 1.245,308 0.322,309 0.353,310 0.425,311 0.297,312 0.724,313 -0.267,314 2.29,315 0.38,316 -0.561,317 -0.647,318 -1.01,319 -0.526,320 0.664,321 -0.539,322 1.877,323 0.248,324 -0.678,325 -0.87,327 -1.497,328 -0.626,330 -0.6,331 1.543,332 -0.1,333 -1,334 -1,336 -2,337 -0.9,338 -0.352,339 -1.314,340 1,341 -0.596,342 -1.545,343 -1.808,344 -0.4,345 -4.141,346 -1.453,347 -0.5,348 -1.383,349 0.576,350 -0.752,351 -1.712,352 -2.043,353 -0.4,354 -4.834,355 -1.656,356 -0.591,357 -1.602,358 0.497,359 -0.872,360 -1.807,361 -2.21,362 -0.4,363 -5.446,364 -1.687,365 -0.645,366 -2,367 0.409,368 -1.036,369 -2,370 -3,371 -0.522,372 -6.971,373 -1.939,392 6.1,393 0.298,394 0.023,395 15.5,396 1.192,397 7,398 0.538,399 8.5,400 0.654,401 8.502,402 0.654,403 15.5,404 0.534,405 9.605,406 0.739,407 3.383,408 0.26,409 2.819,410 0.217,411 0.311,413 0.311,415 1.23,416 1.816,417 1.042,418 1.374,419 1.323,420 1.205,421 1.534,422 0.877,423 0.932,424 0.624,425 1.007,426 0.685,427 0.606,428 1.348,429 0.945,430 1.319,431 0.629,432 1.197,433 0.752,434 1.367,435 1.075,436 1.383,437 0.757,438 1.288,439 1.52,440 1.062,441 1.351,442 1.116,443 1.393,444 1.198,445 1.387,446 0.625,447 1.238,448 0.838,449 1.74,450 0.995,451 0.082,452 0.482,453 0.462,454 0.648,455 0.248,456 0.613,463 2.5,465 1.778,466 1.188,467 0.893,468 0.361,473 791,474 1918,475 1.831,476 55.2,478 11,480 2,481 3,485 1.495,486 1.66,487 2.373,488 1.463,493 40.352,494 1.391,495 3.011,496 3.529,497 3.883,498 3.952,499 3.952,500 1.776,501 3.393,502 3.672,503 2.401,504 187.252,505 6.129,506 1434.21,508 1,511 140.881,512 1.577,513 3.584,514 0.192,516 0.105,517 0.063,518 0.053,519 0.036,524 0.448,525 0.83,526 1.296,527 46.325,528 -0.109,529 0.015,530 -0.152,531 -0.204,532 -0.064,533 -0.277,534 0.267,535 0.109,536 0.373,537 -0.087,538 0.305,539 0.198,540 -0.092,541 0.036,542 -0.108,543 0.065,544 -0.064,545 0.191,546 -0.241,547 -0.094,548 -0.305,549 0.141,550 -0.248,551 -0.281,552 -0.093,553 -0.351,554 -0.243,555 -0.128,556 -0.299,557 -0.325,558 0.127,559 -0.296,560 -0.054,561 -0.423,562 -0.156,563 0.297,564 -0.011,565 0.351,566 0.18,567 0.249,568 0.261,569 0.438,570 0.243,571 0.803,572 0.669,573 0.515,574 0.773,575 0.98,576 1.67,577 0.462,578 5.846,579 0.99,580 0.019,581 0.607,582 2.639,583 2.89,584 3.135,585 3.296,586 3.296,587 2.89,588 2.639,589 2.079,590 1.386,592 3.293,593 0.56,594 180.29,595 2.639,596 4.111,597 4.934,598 5.79,599 6.637,600 7.495,601 8.347,602 9.204,603 10.058,604 10.915,605 1,607 1,608 1,612 1,613 2,614 1,616 3,617 6,619 1,620 1,622 29,623 6,625 13,626 29,627 9,628 5,632 1,633 1,636 1,642 5,643 4,652 1,654 16,655 4,656 3,657 4,659 4,660 1,662 1,665 1,672 1,673 1,674 3,676 13,677 1,679 1,680 1,682 1,691 7.833,692 5.9,693 3.167,694 1.479,695 1.259,696 1.249,697 0.919,698 3.367,699 7.215}
{0 CHEMBL534914,1 -0.406,2 1,3 5.414,4 1.15,6 14.3,7 -0.249,8 3.796,9 0.47,10 0.052,11 33.3,12 -0.147,14 -0.98,15 -1.08,16 -1.18,17 1.418,18 4.2,19 0.165,20 42.568,21 6.534,22 0.6,23 3.118,24 3.288,25 2.549,26 2.556,27 4.243,28 2.525,29 3.564,30 3.801,31 2.734,32 2.852,33 4.549,34 2.783,35 3.675,36 3.921,37 2.765,38 2.924,39 4.614,40 2.821,41 3.686,42 3.938,43 2.531,44 2.813,45 4.687,46 2.67,47 3.719,48 4.06,49 1.928,50 2.553,51 4.595,52 2.314,53 3.27,54 3.673,55 0.746,56 1.916,57 3.85,58 1.545,59 2.195,60 2.648,61 0.062,62 0.835,63 2.303,64 0.485,71 0.035,72 0.311,73 4.995,74 1.452,75 7.002,76 2.491,77 0.083,78 0.423,79 8.033,80 2.214,81 10.569,82 3.836,83 0.079,84 0.45,85 8.884,86 2.881,87 9.425,88 4.64,89 0.096,90 0.413,91 9.114,92 2.535,93 14.302,94 4.367,95 0.161,96 0.315,97 9.714,98 2.186,99 21.886,100 4.065,101 0.086,102 0.145,103 6.074,104 1.483,105 12.883,106 2.679,107 0.023,108 0.03,109 1.904,110 0.524,111 3.104,112 0.9,119 9,120 12,121 0.309,122 0.718,123 0.846,124 0.867,125 0.867,126 0.867,127 2.442,128 0.957,132 1,133 1,141 1,142 1,143 1,144 2,151 1,152 1,153 1,158 1,162 2,164 1,167 1,169 1,171 2,174 1,179 1,181 1,186 1,187 1,213 64,214 6.931,215 6.931,216 6.931,217 6.931,218 6.931,219 6.179,220 9.712,221 4.212,222 7.086,223 4.793,224 4.793,225 4.793,226 4.793,227 4.793,228 3.638,229 14.566,230 1.786,231 4.991,232 2.974,233 1.101,234 0.512,235 0.417,236 0.417,237 0.417,238 3.024,241 80,242 1.732,245 30.514,247 0.64,248 5.817,251 1,252 0.83,253 0.83,254 0.8,255 0.5,256 1,257 0.85,258 21.5,259 42,260 4.187,261 3.022,262 6.121,263 3.806,264 2.828,265 3.798,266 0.522,267 8.924,268 2.765,269 2.92,270 1.917,271 4.362,272 2.58,273 1.618,274 2.097,275 0.4,276 4.115,277 1.553,278 2.916,279 1.525,280 3.621,281 2.398,282 1.466,283 2.053,285 3.03,286 1.364,287 1.831,288 0.801,289 2.826,290 1.556,291 0.618,292 0.731,294 1.031,295 0.578,296 1.434,297 0.61,298 2.467,299 1.238,300 0.315,301 0.344,302 0.407,303 0.29,304 0.669,305 -0.358,306 2,307 0.322,308 -0.618,309 -0.731,310 -1.031,311 -0.578,312 0.555,313 -0.796,314 1.32,315 0.061,316 -0.888,317 -1.222,318 -1.994,319 -0.841,320 -0.42,321 -1.378,322 0.496,323 -0.652,324 -1.618,325 -2.017,327 -4.115,328 -1.537,329 -0.5,330 -1.462,331 0.492,332 -0.773,333 -1.721,334 -2.053,335 -0.4,336 -4.381,337 -1.657,338 -0.592,339 -2,340 0.295,341 -1.036,342 -2,343 -3,344 -0.522,345 -5.987,346 -1.937,392 4.7,393 0.119,394 0.012,395 12.75,396 1.275,397 6.5,398 0.65,399 6.25,400 0.625,401 4.973,402 0.497,403 11.5,404 0.548,405 6.631,406 0.663,407 2.79,408 0.279,409 2.09,410 0.209,411 0.191,413 0.213,415 1.257,416 1.481,417 0.998,418 1.147,419 1.311,420 1.051,421 1.291,422 1.047,423 0.995,424 0.888,425 1.082,426 0.899,427 0.638,428 1.183,429 0.868,430 1.148,431 0.582,432 1.055,433 1.001,434 1.422,435 1.268,436 1.475,437 0.979,438 1.418,439 1.29,440 0.735,441 1.216,442 0.917,443 1.308,444 1.037,445 0.848,446 0.428,447 0.816,448 0.587,449 1.155,450 0.682,463 1.5,465 1.111,466 0.5,467 0.382,468 0.125,473 408,474 1105,475 1.888,476 52.4,478 6,480 2,481 3,485 1.396,486 1.765,487 2.246,488 1.69,493 29.779,494 1.418,495 3.291,496 3.88,497 3.975,498 3.975,499 3.975,500 1.522,501 2.322,502 3.294,503 2.203,504 99.12,505 5.333,506 623.945,511 92.239,512 1.371,513 3.246,514 0.15,516 0.093,517 0.042,518 0.048,519 0.042,524 0.374,525 1,526 1.261,527 31.332,528 -0.193,529 -0.016,530 -0.007,531 -0.234,532 0.011,533 -0.239,534 0.096,535 -0.021,536 0.143,537 -0.171,538 0.099,539 0.152,540 -0.116,541 0.066,542 -0.073,543 0.12,544 -0.023,545 -0.029,546 -0.376,547 -0.324,548 -0.488,549 -0.024,550 -0.453,551 -0.163,552 0.064,553 -0.254,554 -0.12,555 -0.135,556 -0.189,557 -0.026,558 0.126,559 0.109,560 0.181,561 -0.109,562 0.166,563 0.476,564 0.272,565 0.898,566 0.745,567 0.551,568 0.863,575 0.946,576 1.458,577 0.6,578 3.68,579 0.992,580 0.062,581 0.622,582 2.398,583 2.565,584 2.773,585 2.833,586 2.773,587 2.197,588 1.792,589 1.099,590 0.693,592 2.864,593 0.58,594 137.21,595 2.398,596 3.807,597 4.595,598 5.398,599 6.205,600 7.013,601 7.822,602 8.631,603 9.441,604 10.25,605 1,607 1,612 1,613 3,614 1,616 2,617 6,619 1,622 21,623 6,625 10,626 21,627 7,628 5,632 1,633 1,636 1,642 5,643 2,654 11,655 3,656 3,657 3,659 3,660 1,662 1,665 1,672 1,673 1,674 1,676 10,677 1,679 1,680 1,691 5.667,692 3.783,693 2.528,694 1.078,695 1.246,696 1.274,697 0.933,698 2.37,699 6.796}
{0 CHEMBL536263,1 -0.215,2 2,3 7.282,4 1.14,6 12.5,7 -0.035,8 3.779,9 0.475,10 0.052,11 37.5,12 -0.008,13 1,14 -1.2,15 -1.29,16 -1.36,17 1.406,18 3.875,19 0.046,20 32.375,21 6.76,22 0.75,23 2.852,24 3.007,25 2.322,26 2.364,27 4.01,28 2.328,29 3.26,30 3.469,31 2.464,32 2.634,33 4.304,34 2.553,35 3.373,36 3.628,37 2.294,38 2.606,39 4.3,40 2.466,41 3.226,42 3.516,43 1.778,44 2.257,45 4.135,46 2.051,47 2.963,48 3.343,49 1.151,50 1.67,51 3.807,52 1.416,53 1.907,54 2.298,55 0.203,56 0.721,57 2.398,58 0.517,71 0.024,72 0.239,73 3.581,74 1.227,75 5.712,76 1.896,77 0.048,78 0.325,79 5.645,80 1.877,81 8.181,82 2.928,83 0.042,84 0.322,85 6.439,86 2.264,87 8.393,88 3.5,89 0.042,90 0.243,91 5.675,92 1.755,93 10.289,94 2.865,95 0.088,96 0.147,97 4.65,98 1.085,99 12.93,100 1.918,101 0.026,102 0.039,103 1.495,104 0.286,105 3.349,106 0.563,119 3,120 9,121 0.331,122 0.706,123 0.765,124 0.765,125 0.765,126 0.765,127 2.259,128 0.946,133 1,141 2,142 1,144 2,151 1,152 1,153 1,158 2,162 1,164 1,167 1,171 2,174 2,186 1,187 1,213 32,214 5.56,215 5.56,216 5.56,217 5.56,218 5.56,219 4.809,220 5.219,221 3.557,222 5.644,223 3.894,224 3.894,225 3.894,226 3.894,227 3.894,228 2.827,229 7.223,230 1.624,231 4.015,232 2.594,233 1,234 0.75,235 0.75,236 0.75,237 0.75,238 2.815,241 60,242 1.225,245 22.457,247 0.656,248 4.32,251 1,252 0.83,253 0.83,254 0.6,256 1,257 0.75,258 17,259 31,260 3.887,261 2.716,262 5.31,263 3.489,264 2.499,265 3.44,266 0.522,267 6.822,268 2.474,269 2.917,270 1.605,271 3.592,272 2.428,273 1.496,274 2.086,276 3.063,277 1.392,278 2.5,279 1,280 3.247,281 1.984,282 1,283 1.5,285 2.136,286 0.983,287 1.583,288 0.686,289 2.546,290 1.358,291 0.425,292 0.478,294 0.604,295 0.395,296 0.613,297 -0.547,298 1.555,299 0.205,300 -0.757,301 -0.964,302 -1.393,303 -0.729,304 0.5,305 -1,306 1.105,307 -0.049,308 -1,309 -1.5,310 -2.347,311 -0.946,312 -0.5,313 -1.379,314 0.447,315 -0.681,316 -1.662,317 -2.039,318 -4.096,319 -1.633,320 -0.5,321 -2,322 0.198,323 -1.035,324 -2,325 -3,326 -0.522,327 -4.789,328 -1.936,392 3.8,393 0.068,394 0.009,395 10.75,396 1.344,397 6,398 0.75,399 4.75,400 0.594,401 3.197,402 0.4,403 8.8,404 0.55,405 4.826,406 0.603,407 2.337,408 0.292,409 1.595,410 0.199,411 0.105,413 0.132,415 1.171,416 1.235,417 0.943,418 1.013,419 1.293,420 0.959,421 1.174,422 1.07,423 1.064,424 1.025,425 1.08,426 1.03,427 0.737,428 1.128,429 0.988,430 1.162,431 0.657,432 1.115,433 0.855,434 1.309,435 1.146,436 1.348,437 1.088,438 1.293,439 1.046,440 0.396,441 0.856,442 0.532,443 1.089,444 0.649,445 1.546,446 0.087,447 0.79,448 0.113,449 0.89,450 0.319,463 1,465 0.444,466 0.188,467 0.151,468 0.063,473 234,474 669,475 1.929,476 50,478 4,480 2,481 2,485 1.299,486 1.846,487 2.172,488 0.846,493 22.49,494 1.406,495 3,496 3.25,497 3.25,498 3.25,499 3.25,500 1.561,501 2.156,502 2.978,503 2.06,504 57.67,505 4.642,506 297.106,511 64,512 1.061,513 2.953,514 0.125,516 0.049,517 0.027,518 0.05,519 0.063,524 0.314,525 1,526 1.125,527 22.062,528 -0.185,529 -0.023,530 0.048,531 -0.249,532 0.035,533 -0.231,534 0.031,535 -0.147,536 -0.018,537 -0.2,538 -0.064,539 -0.025,540 -0.192,541 -0.086,542 -0.167,543 0.042,544 -0.139,545 -0.031,546 -0.475,547 -0.231,548 -0.441,549 -0.094,550 -0.374,551 0.194,552 0.3,553 0.151,554 0.215,555 0.12,556 0.183,557 -0.241,558 0.515,559 0.244,560 0.579,561 -0.028,562 0.489,575 0.9,576 1.322,577 0.75,578 2,579 0.991,580 0.001,581 0.643,582 2.197,583 2.303,584 2.398,585 2.398,586 2.398,587 1.609,588 1.099,592 2.535,593 0.601,594 108.16,595 2.197,596 3.555,597 4.29,598 5.043,599 5.796,600 6.555,601 7.311,602 8.072,603 8.828,604 9.589,605 1,612 1,613 4,614 1,616 1,617 6,622 16,623 6,625 8,626 16,627 6,628 5,632 1,633 1,636 1,642 5,643 1,654 8,655 2,656 2,657 2,659 2,660 1,662 1,665 1,672 1,673 1,676 8,677 1,679 1,691 4.333,692 2.617,693 2,694 0.814,695 1.219,696 1.295,697 0.936,698 1.598,699 5.398}
{0 CHEMBL536949,1 0.745,2 4,3 8.016,4 1.14,6 9.1,7 1.312,8 3.862,9 0.48,10 0.059,11 36.4,12 0.073,13 4,14 -2.54,15 -2.57,16 -2.51,17 1.322,18 4.2,19 0.554,20 44.725,21 6.192,22 0.6,23 3.146,24 3.311,25 2.53,26 2.64,27 4.214,28 2.584,29 3.599,30 3.826,31 2.721,32 2.951,33 4.531,34 2.851,35 3.752,36 4.003,37 2.753,38 3.017,39 4.619,40 2.888,41 3.745,42 4,43 2.518,44 2.908,45 4.693,46 2.742,47 3.763,48 4.089,49 1.915,50 2.688,51 4.549,52 2.417,53 3.451,54 3.861,55 0.795,56 2.085,57 3.989,58 1.679,59 2.376,60 2.836,61 0.075,62 0.953,63 2.485,64 0.567,71 0.039,72 0.316,73 5.313,74 1.802,75 6.373,76 2.852,77 0.066,78 0.446,79 8.319,80 2.846,81 9.414,82 4.477,83 0.055,84 0.488,85 9.542,86 3.427,87 9.111,88 5.329,89 0.103,90 0.466,91 9.66,92 3.075,93 14.522,94 4.938,95 0.088,96 0.387,97 9.546,98 2.934,99 16,100 4.829,101 0.07,102 0.214,103 6.705,104 2.025,105 12.692,106 3.343,107 0.018,108 0.051,109 2.048,110 0.673,111 2.919,112 1.076,119 9,120 12,121 0.285,122 0.643,123 0.777,124 0.855,125 0.875,126 0.875,127 2.442,128 1.002,132 1,133 1,141 4,142 1,143 1,151 1,152 1,153 1,162 3,164 1,171 3,173 2,174 1,179 1,180 3,181 1,183 2,189 1,191 1,213 64,214 6.931,215 6.931,216 6.931,217 6.931,218 6.931,219 6.179,220 9.712,221 4.212,222 7.021,223 4.793,224 4.793,225 4.793,226 4.793,227 4.793,228 3.638,229 14.566,230 1.786,231 4.898,232 3.137,233 1.471,234 0.852,235 0.489,236 0.398,237 0.398,238 3.024,241 80,242 1.732,245 30.514,247 0.64,248 4.177,251 1,252 0.83,253 0.83,254 0.8,255 0.5,256 1,257 0.85,258 21,259 42,260 4.187,261 3.022,262 6.121,263 3.811,264 2.828,265 3.798,266 0.522,267 8.924,268 2.779,269 2.92,270 1.917,271 4.362,272 2.588,273 1.618,274 2.097,275 0.4,276 4.115,277 1.568,278 2.916,279 1.525,280 3.621,281 2.459,282 1.466,283 2.053,285 3.03,286 1.454,287 1.831,288 0.801,289 2.826,290 1.575,291 0.618,292 0.731,294 1.031,295 0.59,296 1.434,297 0.61,298 2.467,299 1.244,300 0.315,301 0.344,302 0.407,303 0.292,304 0.669,305 -0.358,306 2,307 0.339,308 -0.618,309 -0.731,310 -1.031,311 -0.59,312 0.555,313 -0.796,314 1.32,315 0.101,316 -0.888,317 -1.222,318 -1.994,319 -0.878,320 -0.42,321 -1.378,322 0.496,323 -0.647,324 -1.618,325 -2.017,327 -4.115,328 -1.554,329 -0.5,330 -1.462,331 0.492,332 -0.77,333 -1.721,334 -2.053,335 -0.4,336 -4.381,337 -1.661,338 -0.592,339 -2,340 0.295,341 -1,342 -2,343 -3,344 -0.522,345 -5.987,346 -2,392 4.8,393 0.119,394 0.012,395 12.25,396 1.225,397 6.5,398 0.65,399 5.75,400 0.575,401 5.178,402 0.518,403 11.4,404 0.518,405 6.427,406 0.643,407 2.71,408 0.271,409 2.171,410 0.217,411 0.188,413 0.208,415 1.399,416 1.229,417 1.073,418 1.051,419 1.454,420 1.033,421 1.238,422 1.011,423 1.04,424 0.965,425 1.053,426 0.98,427 0.696,428 1.227,429 0.891,430 1.119,431 0.563,432 1.039,433 1.161,434 1.286,435 1.315,436 1.348,437 1.014,438 1.347,439 1.141,440 1.036,441 1.189,442 1.127,443 1.234,444 1.157,445 0.811,446 0.461,447 0.731,448 0.572,449 1.212,450 0.632,463 1.5,465 1.111,466 0.5,467 0.382,468 0.125,473 408,474 963,475 1.888,476 54.5,478 9,481 3,485 1.396,486 1.765,487 2.246,488 1.594,493 29.088,494 1.322,495 2.988,496 3.607,497 3.971,498 4.061,499 4.061,500 1.522,501 2.322,502 3.294,503 2.203,504 99.12,505 5.333,506 623.945,511 98.107,512 1.371,513 3.246,514 0.15,516 0.093,517 0.042,518 0.048,519 0.042,524 0.374,525 1,526 1.261,527 31.332,528 -0.198,529 -0.027,530 0.075,531 -0.289,532 0.047,533 -0.186,534 0.128,535 -0.042,536 0.087,537 -0.161,538 0.045,539 0.076,540 -0.204,541 0.064,542 -0.074,543 0.118,544 -0.017,545 -0.019,546 -0.236,547 -0.336,548 -0.384,549 -0.01,550 -0.39,551 -0.167,552 -0.186,553 -0.262,554 -0.254,555 -0.139,556 -0.265,557 0.005,558 0.161,559 0.15,560 0.2,561 -0.089,562 0.191,563 0.433,564 0.395,565 0.826,566 0.731,567 0.505,568 0.804,575 0.906,576 1.486,577 0.6,578 3.68,579 0.983,580 1.721,581 0.628,582 2.398,583 2.565,584 2.773,585 2.833,586 2.773,587 2.197,588 1.792,589 1.099,590 0.693,592 2.864,593 0.576,594 136.22,595 2.398,596 3.807,597 4.595,598 5.398,599 6.205,600 7.013,601 7.822,602 8.631,603 9.441,604 10.25,605 1,607 1,613 4,616 2,617 6,619 1,622 22,623 6,624 1,625 10,626 22,627 8,628 6,629 2,630 4,632 1,633 1,636 1,642 6,643 2,654 12,655 2,656 3,657 2,659 2,660 1,665 1,672 1,673 1,674 1,676 10,677 1,679 1,680 1,691 5.667,692 3.917,693 2.528,694 1.167,695 1.246,696 1.274,697 0.942,698 2.427,699 4}
{0 CHEMBL536953,1 -0.961,2 1,3 5.093,4 1.152,6 16.7,7 -0.603,8 3.788,9 0.467,10 0.048,11 33.3,12 0.09,14 -0.63,15 -0.75,16 -0.88,17 1.459,18 3.889,19 0.924,20 37.075,21 6.843,22 0.667,23 2.982,24 3.154,25 2.441,26 2.43,27 4.199,28 2.411,29 3.376,30 3.587,31 2.645,32 2.729,33 4.464,34 2.669,35 3.521,36 3.758,37 2.623,38 2.76,39 4.61,40 2.662,41 3.526,42 3.807,43 2.206,44 2.527,45 4.64,46 2.364,47 3.38,48 3.759,49 1.346,50 2.041,51 4.277,52 1.767,53 2.489,54 2.929,55 0.237,56 1.073,57 2.833,58 0.739,71 0.039,72 0.273,73 4.156,74 1.159,75 8.893,76 1.996,77 0.049,78 0.369,79 6.35,80 1.942,81 9.022,82 3.224,83 0.064,84 0.383,85 7.482,86 2.338,87 11.893,88 3.828,89 0.1,90 0.308,91 7.853,92 1.877,93 21.126,94 3.444,95 0.149,96 0.179,97 7.285,98 1.352,99 24.029,100 2.722,101 0.049,102 0.046,103 2.939,104 0.612,105 6.918,106 1.185,119 6,120 11,121 0.332,122 0.737,123 0.848,124 0.873,125 0.873,126 0.873,127 2.356,128 0.909,133 1,141 1,142 1,143 1,144 2,151 2,152 2,153 2,158 1,162 2,164 2,167 1,168 1,169 1,171 2,174 2,179 1,181 2,184 1,186 1,187 1,213 46,214 6.06,215 6.06,216 6.06,217 6.06,218 6.06,219 5.257,220 6.55,221 3.692,222 6.152,223 4.355,224 4.355,225 4.355,226 4.355,227 4.355,228 3.212,229 8.045,230 1.638,231 4.504,232 2.711,233 0.931,234 0.444,235 0.333,236 0.333,237 0.333,238 2.92,241 67,242 1.414,245 26.324,247 0.593,248 7.288,251 1,252 0.83,253 0.83,254 0.5,256 1,257 0.74,258 19.5,259 35,260 4.155,261 2.971,262 6.011,263 3.765,264 2.783,265 3.771,266 0.522,267 8.475,268 2.731,269 2.917,270 1.778,271 4.171,272 2.494,273 1.538,274 2.089,276 3.762,277 1.469,278 2.845,279 1.458,280 3.598,281 2.363,282 1.414,283 1.978,285 2.972,286 1.336,287 1.703,288 0.746,289 2.703,290 1.455,291 0.519,292 0.598,294 0.817,295 0.485,296 0.933,297 -0.075,298 2,299 0.61,300 -0.316,301 -0.371,302 -0.549,303 -0.292,304 0.575,305 -0.719,306 1.66,307 0.106,308 -0.851,309 -1.144,310 -1.88,311 -0.812,312 -0.107,313 -1.299,314 1.061,315 -0.464,316 -1.414,317 -1.879,318 -3.459,319 -1.339,320 -0.5,321 -1.38,322 0.494,323 -0.693,324 -1.673,325 -2.041,327 -4.256,328 -1.64,329 -0.521,330 -2,331 0.302,332 -1.035,333 -2,334 -3,335 -0.522,336 -5.882,337 -1.937,392 4.2,393 0.157,394 0.017,395 12,396 1.333,397 6.5,398 0.722,399 5.5,400 0.611,401 3.961,402 0.44,403 10.2,404 0.567,405 6.037,406 0.671,407 2.574,408 0.286,409 1.768,410 0.196,411 0.19,413 0.238,415 1.365,416 1.224,417 0.987,418 0.93,419 1.486,420 0.903,421 0.998,422 1.193,423 0.932,424 1.05,425 0.883,426 0.99,427 0.667,428 1.294,429 0.952,430 1.298,431 0.702,432 1.187,433 1.071,434 1.278,435 1.281,436 1.388,437 1.07,438 1.371,439 1.227,440 0.419,441 1.061,442 0.603,443 1.346,444 0.779,445 0.629,446 0.044,447 0.386,448 0.061,449 0.334,450 0.169,463 1.5,465 1.111,466 0.5,467 0.262,468 0.063,473 303,474 930,475 1.876,476 50,478 3,480 2,481 4,485 1.354,486 1.742,487 2.148,488 2.926,493 26.265,494 1.459,495 3.239,496 3.725,497 3.837,498 3.837,499 3.837,500 1.53,501 3.17,502 3.146,503 2.075,504 74.705,505 5.017,506 431.5,511 75.059,512 1.436,513 3.086,514 0.167,516 0.101,517 0.05,518 0.052,519 0.063,524 0.433,525 0.67,526 1.187,527 26.405,528 -0.329,529 -0.059,530 0.167,531 -0.39,532 0.106,533 -0.157,534 -0.031,535 -0.022,536 0.043,537 -0.103,538 0.033,539 0.12,540 -0.238,541 -0.046,542 -0.243,543 0.089,544 -0.181,545 -0.067,546 -0.358,547 -0.346,548 -0.497,549 -0.007,550 -0.47,551 -0.09,552 0.214,553 -0.063,554 0.112,555 -0.18,556 0.039,557 0.182,558 0.308,559 0.62,560 0.665,561 0.287,562 0.706,575 1.019,576 1.489,577 0.667,578 2.79,579 0.998,580 0.363,581 0.628,582 2.303,583 2.485,584 2.639,585 2.639,586 2.565,587 1.946,588 1.386,589 0.693,592 2.625,593 0.591,594 123.18,595 2.303,596 3.714,597 4.489,598 5.283,599 6.075,600 6.874,601 7.67,602 8.469,603 9.266,604 10.066,605 1,606 1,612 1,613 3,614 1,616 2,617 6,618 1,622 18,623 6,625 9,626 18,627 6,628 5,632 1,633 1,636 1,642 5,643 1,654 9,655 3,656 4,657 3,659 3,660 1,662 1,665 1,672 1,673 1,676 9,677 2,679 1,691 5.167,692 2.867,693 2.194,694 0.849,695 1.24,696 1.285,697 0.953,698 1.774,699 6.523}
{0 CHEMBL537174,1 0.084,2 2,3 5.589,4 1.143,5 2,6 12,7 0.401,8 3.847,9 0.475,10 0.05,11 36,12 -0.02,14 -1.63,15 -1.7,16 -1.73,17 1.388,18 4.917,19 0.007,20 49.779,21 6.53,22 0.462,23 3.314,24 3.472,25 2.771,26 2.812,27 4.325,28 2.774,29 3.783,30 4.004,31 2.911,32 3.08,33 4.687,34 2.988,35 3.934,36 4.211,37 2.907,38 3.111,39 4.78,40 2.996,41 3.859,42 4.113,43 2.809,44 3.056,45 4.769,46 2.929,47 3.897,48 4.186,49 2.603,50 2.976,51 4.746,52 2.814,53 3.746,54 4.072,55 2.032,56 2.694,57 4.431,58 2.453,59 3.336,60 3.718,61 0.85,62 2.071,63 3.892,64 1.7,65 2.455,66 2.918,67 0.081,68 1.008,69 2.565,70 0.606,71 0.04,72 0.39,73 6.042,74 2.024,75 6.139,76 3.212,77 0.074,78 0.54,79 9.917,80 3.08,81 9.491,82 5.051,83 0.128,84 0.564,85 11.714,86 3.569,87 13.149,88 5.817,89 0.109,90 0.535,91 10.793,92 3.379,93 14.621,94 5.459,95 0.143,96 0.505,97 11.376,98 3.252,99 17.759,100 5.418,101 0.101,102 0.375,103 9.721,104 2.847,105 10.984,106 4.748,107 0.071,108 0.194,109 6.411,110 1.888,111 9.924,112 3.138,113 0.027,114 0.05,115 2.535,116 0.764,117 3.081,118 1.264,119 3,120 17,121 0.286,122 0.683,123 0.824,124 0.841,125 0.841,126 0.841,127 2.598,128 0.991,130 2,133 1,134 1,141 1,142 1,143 1,144 2,151 1,152 1,153 1,158 1,162 4,164 1,167 1,169 1,171 2,174 1,179 1,181 1,182 2,185 2,186 1,187 1,196 2,199 2,213 124,214 8.37,215 8.37,216 8.37,217 8.37,218 8.37,219 7.618,220 12.874,221 5.046,222 8.501,223 6.365,224 6.365,225 6.365,226 6.365,227 6.365,228 5.244,229 22.066,230 2.313,231 6.582,232 3.256,233 1.326,234 0.64,235 0.56,236 0.56,237 0.56,238 3.214,240 1,241 124,242 1.871,243 20.162,245 38.006,247 0.778,248 7.056,251 1,252 0.83,253 0.83,254 1,255 1,256 1,257 0.95,258 25.5,259 59,260 4.211,261 3.091,262 6.164,263 3.875,264 2.903,265 3.806,266 0.522,267 9.144,268 2.821,269 3.61,270 2.667,271 5.461,272 3.53,273 2.545,274 2.64,275 0.4,276 7.261,277 2.504,278 2.917,279 1.799,280 4.341,281 2.521,282 1.558,283 2.089,285 4.101,286 1.499,287 2.856,288 1.485,289 3.624,290 2.382,291 1.442,292 1.98,294 3.034,295 1.352,296 1.761,297 0.762,298 3.044,299 1.507,300 0.566,301 0.659,302 1.103,303 0.531,304 1.335,305 0.452,306 2.653,307 1.179,308 0.238,309 0.255,310 0.446,311 0.223,312 0.721,313 -0.301,314 2,315 0.442,316 -0.506,317 -0.573,318 -1.012,319 -0.478,320 0.567,321 -0.746,322 2,323 0.101,324 -0.857,325 -1,327 -1.948,328 -0.819,330 -1,331 1.804,333 -1,334 -1.127,336 -3,337 -1,338 -0.063,339 -1.21,340 1.253,341 -0.296,342 -1.266,343 -1.534,345 -3.291,346 -1.224,347 -0.5,348 -1.379,349 0.857,350 -0.679,351 -1.66,352 -2.037,354 -4.239,355 -1.629,356 -0.503,357 -1.741,358 0.494,359 -1.022,360 -1.964,361 -2.158,362 -0.4,363 -5.373,364 -1.843,365 -0.913,366 -2,367 0.305,368 -1.039,369 -2,370 -3,371 -0.522,372 -6.225,373 -1.939,392 5.7,393 0.188,394 0.016,395 14.25,396 1.188,397 6.5,398 0.542,399 7.75,400 0.646,401 7.234,402 0.603,403 13.5,404 0.54,405 6.945,406 0.579,407 2.678,408 0.223,409 3.22,410 0.268,411 0.07,413 0.263,415 1.194,416 1.328,417 0.961,418 1.067,419 1.205,420 0.998,421 1.149,422 1.367,423 1.102,424 1.225,425 0.964,426 1.168,427 0.941,428 0.927,429 0.872,430 0.874,431 0.675,432 0.866,433 0.955,434 1.181,435 1.079,436 1.181,437 0.953,438 1.151,439 1.192,440 0.949,441 1.16,442 1.036,443 1.301,444 1.086,445 1.056,446 0.912,447 1.127,448 1.04,449 1.106,450 1.084,451 0.788,452 0.625,453 0.935,454 0.826,455 1.264,456 0.888,463 2,465 1.167,466 0.403,467 0.462,468 0.198,469 0.08,473 872,474 1863,475 2.089,476 52,478 4,480 2,481 3,483 4,485 1.459,486 2,487 2.437,488 1.474,493 34.706,494 1.388,495 3.317,496 4.004,497 4.084,498 4.084,499 4.084,500 1.855,501 3.252,502 3.558,503 2.495,504 164.669,505 5.858,506 1171.68,508 1,511 116.096,512 1.189,513 3.536,514 0.154,516 0.083,517 0.029,518 0.039,519 0.022,520 0.02,524 0.347,525 1,526 0.896,527 41.847,528 -0.155,529 0.022,530 0.068,531 -0.127,532 0.066,533 -0.137,534 -0.24,535 -0.134,536 -0.189,537 -0.064,538 -0.166,539 0.056,540 0.062,541 0.097,542 0.094,543 0.086,544 0.1,545 0.025,546 -0.146,547 -0.119,548 -0.189,549 0.021,550 -0.174,551 -0.1,552 0.013,553 -0.191,554 -0.117,555 -0.155,556 -0.158,557 -0.152,558 -0.081,559 -0.185,560 -0.142,561 -0.137,562 -0.164,563 -0.03,564 0.025,565 -0.011,566 0.016,567 -0.138,568 0.006,569 0.472,570 0.345,571 0.913,572 0.78,573 0.473,574 0.882,575 0.919,576 1.579,577 0.75,578 5.389,579 0.989,580 0.161,581 0.633,582 2.639,583 2.89,584 2.996,585 3.135,586 3.258,587 3.045,588 2.773,589 2.398,590 2.079,591 1.609,592 3.384,593 0.588,594 163.25,595 2.639,596 4.111,597 4.934,598 5.778,599 6.619,600 7.467,601 8.312,602 9.161,603 10.008,604 10.857,605 1,607 1,612 1,613 3,614 1,616 2,617 6,619 1,622 25,623 6,625 13,626 26,627 9,628 5,632 2,633 2,636 1,638 3,640 3,642 5,643 4,654 13,655 3,656 3,657 3,659 3,660 1,662 1,663 1,665 1,672 1,673 2,676 12,677 1,679 3,680 1,681 1,691 6,692 4.117,693 2.778,694 1.494,695 1.24,696 1.242,697 0.977,698 2.065,699 5.301}
{0 CHEMBL537175,1 0.32,2 1,3 5.501,4 1.148,5 2,6 11.1,7 0.401,8 3.806,9 0.475,10 0.052,11 33.3,12 -0.108,13 1,14 -1.63,15 -1.7,16 -1.73,17 1.352,18 4.917,19 0.103,20 51.735,21 6.121,22 0.5,23 3.346,24 3.515,25 2.717,26 2.798,27 4.39,28 2.744,29 3.842,30 4.081,31 2.956,32 3.117,33 4.76,34 3.025,35 4.046,36 4.316,37 2.944,38 3.215,39 4.919,40 3.084,41 4.079,42 4.377,43 2.824,44 3.161,45 4.911,46 2.996,47 3.971,48 4.257,49 2.628,50 3.051,51 4.868,52 2.875,53 3.913,54 4.241,55 2.102,56 2.838,57 4.682,58 2.582,59 3.624,60 4.016,61 1.01,62 2.307,63 4.248,64 1.919,65 2.831,66 3.305,67 0.12,68 1.283,69 2.944,70 0.81,71 0.045,72 0.39,73 6.636,74 2.151,75 7.793,76 3.502,77 0.084,78 0.553,79 10.78,80 3.29,81 12.382,82 5.487,83 0.143,84 0.616,85 13.174,86 3.958,87 15.79,88 6.547,89 0.134,90 0.581,91 13.331,92 4.125,93 18.237,94 6.754,95 0.144,96 0.522,97 12.116,98 3.541,99 20.846,100 5.906,101 0.119,102 0.415,103 11.129,104 3.183,105 17.892,106 5.402,107 0.093,108 0.233,109 7.984,110 2.242,111 15.954,112 3.819,113 0.034,114 0.065,115 3.26,116 0.982,117 4.612,118 1.625,119 15,120 15,121 0.275,122 0.652,123 0.792,124 0.807,125 0.807,126 0.807,127 2.596,128 1.033,129 2,133 1,134 1,141 1,142 1,143 1,144 2,151 1,152 1,153 1,158 1,162 4,164 1,167 1,169 1,171 2,174 1,179 1,181 1,182 2,185 2,186 1,187 1,196 2,199 2,213 126,214 7.922,215 7.922,216 7.922,217 7.922,218 7.922,219 7.171,220 12.874,221 4.869,222 8.07,223 5.865,224 5.865,225 5.865,226 5.865,227 5.865,228 4.744,229 22.066,230 2.216,231 6.095,232 3.403,233 1.557,234 0.871,235 0.797,236 0.797,237 0.797,238 3.195,240 1,241 112,242 2.449,245 39.371,247 0.778,248 7.1,251 1,252 0.83,253 0.83,254 1,255 1,256 1,257 0.95,258 25.5,259 59,260 4.202,261 3.057,262 6.148,263 3.835,264 2.86,265 3.804,266 0.522,267 9.064,268 2.787,269 3.202,270 2.338,271 4.748,272 3.092,273 2.128,274 2.278,275 0.4,276 5.288,277 2.048,278 2.917,279 1.704,280 4.126,281 2.468,282 1.519,283 2.085,285 3.693,286 1.441,287 2.745,288 1.428,289 3.607,290 2.343,291 1.383,292 1.812,294 2.984,295 1.322,296 1.712,297 0.748,298 2.761,299 1.465,300 0.528,301 0.608,302 0.87,303 0.493,304 1.054,305 0.088,306 2.369,307 0.812,308 -0.122,309 -0.137,310 -0.239,311 -0.114,312 0.582,313 -0.594,314 2,315 0.165,316 -0.795,317 -0.974,318 -1.721,319 -0.763,320 0.331,321 -0.926,322 1.405,324 -1,325 -1,327 -2,328 -0.942,330 -1,331 1.037,332 -0.054,333 -1,334 -1.331,336 -2.499,337 -1,338 -0.483,339 -1.379,340 1,341 -0.673,342 -1.652,343 -2.035,345 -4.226,346 -1.612,347 -0.5,348 -1.584,349 0.494,350 -0.918,351 -1.849,352 -2.111,353 -0.4,354 -5.081,355 -1.724,356 -0.761,357 -2,358 0.305,359 -1.036,360 -2,361 -3,362 -0.522,363 -6.135,364 -1.938,392 5.7,393 0.264,394 0.022,395 13.75,396 1.146,397 6.5,398 0.542,399 7.25,400 0.604,401 8.133,402 0.678,403 14.1,404 0.522,405 7.307,406 0.609,407 2.703,408 0.225,409 3.033,410 0.253,411 0.246,413 0.263,415 1.23,416 1.484,417 1.07,418 1.224,419 1.364,420 1.142,421 1.109,422 1.272,423 0.968,424 1.072,425 0.894,426 1.013,427 1.098,428 1.076,429 1.064,430 1.057,431 0.799,432 1.057,433 0.795,434 1.037,435 0.917,436 1.025,437 0.762,438 0.991,439 1.18,440 1.063,441 1.222,442 1.155,443 1.246,444 1.188,445 1.159,446 0.965,447 1.199,448 1.093,449 1.116,450 1.143,451 0.892,452 0.598,453 0.923,454 0.766,455 1.509,456 0.837,463 2.5,465 1.111,466 0.625,467 0.622,468 0.292,469 0.08,473 702,474 1587,475 1.861,476 55.6,478 4,480 2,481 3,483 6,485 1.461,486 1.714,487 2.437,488 1.474,493 36.494,494 1.352,495 3.198,496 3.884,497 3.958,498 3.958,499 3.958,500 1.855,501 3.022,502 3.556,503 2.492,504 164.455,505 5.865,506 1178.77,508 1,511 128.382,512 1.5,513 3.491,514 0.208,516 0.074,517 0.045,518 0.052,519 0.032,520 0.02,524 0.431,525 1,526 1.528,527 41.894,528 -0.134,529 -0.008,530 -0.012,531 -0.239,532 0.002,533 -0.071,534 -0.115,535 0.045,536 0.006,537 0.017,538 0.034,539 -0.03,540 -0.004,541 -0.069,542 -0.05,543 -0.032,544 -0.062,545 0.101,546 -0.08,547 0.038,548 -0.047,549 0.119,550 -0.017,551 -0.099,552 -0.048,553 -0.242,554 -0.196,555 -0.115,556 -0.23,557 -0.202,558 -0.1,559 -0.264,560 -0.203,561 -0.117,562 -0.235,563 -0.076,564 0.046,565 -0.042,566 0.016,567 -0.247,568 -0.006,569 0.422,570 0.312,571 0.792,572 0.683,573 0.474,574 0.767,575 0.947,576 1.559,577 0.5,578 5.583,579 0.985,580 0.161,581 0.614,582 2.565,583 2.773,584 2.89,585 3.045,586 3.091,587 2.708,588 2.303,589 1.946,590 1.386,591 1.099,592 3.391,593 0.564,594 165.27,595 2.565,596 4.007,597 4.779,598 5.602,599 6.402,600 7.229,601 8.038,602 8.864,603 9.676,604 10.502,605 1,607 1,612 1,613 3,614 1,616 2,617 6,619 1,622 27,623 6,625 12,626 27,627 9,628 5,632 1,633 1,636 3,640 1,642 5,643 4,654 15,655 3,656 3,657 3,659 3,660 1,662 1,665 1,672 1,673 1,674 2,676 12,677 1,679 1,680 1,681 1,691 7,692 5.117,693 2.861,694 1.578,695 1.237,696 1.253,697 0.911,698 3.202,699 4.796}
{0 CHEMBL537402,1 0.996,2 4,3 5.653,4 1.142,5 4,6 9.7,7 0.996,8 3.836,9 0.479,10 0.07,11 35.5,12 -0.014,13 3,14 -2.23,15 -2.27,16 -2.24,17 1.332,18 5.786,19 0.992,20 58.981,21 6.171,22 0.4,23 3.504,24 3.664,25 2.907,26 3.004,27 4.455,28 2.948,29 4.065,30 4.282,31 3.18,32 3.404,33 4.893,34 3.299,35 4.35,36 4.639,37 3.101,38 3.457,39 5.081,40 3.289,41 4.247,42 4.555,43 2.958,44 3.306,45 5.023,46 3.142,47 4.104,48 4.387,49 2.883,50 3.247,51 4.919,52 3.091,53 4.062,54 4.348,55 2.695,56 3.172,57 4.797,58 2.984,59 3.98,60 4.314,61 2.113,62 2.893,63 4.663,64 2.621,65 3.586,66 3.995,67 0.877,68 2.223,69 4.06,70 1.808,71 0.049,72 0.467,73 7.716,74 2.696,75 6.672,76 4.245,77 0.09,78 0.725,79 13.417,80 4.616,81 10.453,82 7.307,83 0.16,84 0.811,85 17.596,86 5.64,87 15.468,88 9.123,89 0.172,90 0.704,91 15.874,92 4.752,93 19.799,94 7.874,95 0.151,96 0.643,97 13.814,98 4.359,99 17.921,100 7.038,101 0.108,102 0.595,103 13.086,104 4.242,105 11.672,106 6.853,107 0.115,108 0.466,109 11.874,110 3.606,111 13.713,112 5.971,113 0.078,114 0.236,115 7.643,116 2.338,117 10.32,118 3.846,119 3,120 19,121 0.26,122 0.604,123 0.752,124 0.815,125 0.815,126 0.815,127 2.733,128 1.059,130 4,133 1,134 1,141 1,142 1,143 1,144 2,151 1,152 1,153 1,158 1,162 4,164 1,167 1,169 1,171 4,174 1,179 1,181 1,182 2,185 2,186 1,187 1,193 2,196 2,198 2,199 2,202 2,204 2,213 186,214 9.784,215 9.784,216 9.784,217 9.784,218 9.784,219 9.033,220 12.874,221 6.032,222 9.915,223 7.365,224 7.365,225 7.365,226 7.365,227 7.365,228 6.244,229 22.066,230 2.788,231 7.582,232 3.622,233 1.857,234 1.097,235 0.774,236 0.774,237 0.774,238 3.38,240 1,241 169,242 1.871,244 35.531,245 44.319,247 0.847,248 7.585,251 1,252 0.83,253 0.83,254 1,255 1,256 1,257 0.95,258 29.5,259 81,260 4.207,261 3.074,262 6.16,263 3.854,264 2.881,265 3.805,266 0.522,267 9.124,268 2.803,269 3.5,270 2.574,271 5.331,272 3.434,273 2.451,274 2.531,275 0.4,276 6.897,277 2.408,278 2.917,279 1.814,280 4.331,281 2.552,282 1.584,283 2.088,285 4.095,286 1.531,287 2.863,288 1.512,289 3.63,290 2.399,291 1.463,292 1.982,294 3.052,295 1.366,296 2.189,297 1.164,298 3.39,299 2.094,300 1.11,301 1.177,302 2.467,303 1.091,304 1.698,305 0.744,306 3,307 1.618,308 0.618,309 0.618,310 1.372,311 0.618,312 1.618,313 0.618,314 2.789,315 1.46,316 0.522,317 0.599,318 0.864,319 0.489,320 1.051,321 0.081,322 2.508,323 0.824,324 -0.114,325 -0.127,327 -0.233,328 -0.107,329 0.583,330 -0.565,331 2,332 0.189,333 -0.771,334 -0.914,336 -1.678,337 -0.739,338 0.38,339 -0.878,340 1.54,342 -0.948,343 -1.254,345 -2.305,346 -0.896,347 -0.418,348 -1.378,349 1.136,350 -0.563,351 -1.54,352 -1.618,354 -3.534,355 -1.493,356 -0.5,357 -1.448,358 1,359 -0.618,360 -1.618,361 -1.699,363 -4.238,364 -1.618,365 -0.541,366 -1.618,367 0.494,368 -0.686,369 -1.668,370 -2.037,372 -4.372,373 -1.639,374 -0.618,375 -1.814,376 0.388,377 -1.02,378 -1.97,379 -2.15,380 -0.4,381 -5.31,382 -1.874,383 -0.93,384 -2,385 0.305,386 -1.038,387 -2,388 -3,389 -0.522,390 -6.2,391 -1.939,392 6.7,393 0.188,394 0.013,395 15.25,396 1.089,397 6.5,398 0.464,399 8.75,400 0.625,401 10.472,402 0.748,403 16.1,404 0.519,405 7.612,406 0.544,407 2.678,408 0.191,409 4.22,410 0.301,411 0.06,413 0.224,415 1.184,416 1.358,417 1.029,418 1.144,419 1.181,420 1.081,421 1.051,422 1.312,423 1.089,424 1.214,425 0.875,426 1.164,427 0.879,428 1.125,429 0.99,430 1.095,431 0.589,432 1.06,433 1.069,434 0.888,435 0.928,436 0.862,437 0.88,438 0.877,439 1.145,440 0.919,441 1.078,442 0.976,443 1.266,444 1.013,445 1.07,446 1.121,447 1.152,448 1.163,449 1.144,450 1.166,451 1.111,452 0.95,453 1.149,454 1.061,455 1.451,456 1.101,457 0.703,458 0.501,459 0.736,460 0.628,461 1.132,462 0.676,463 2,465 1.111,466 0.597,467 0.497,468 0.181,469 0.124,470 0.056,473 1328,474 2579,475 2.076,476 54.8,477 4,478 4,480 2,481 3,483 4,485 1.509,486 2,487 2.644,488 1.314,492 1,493 41.285,494 1.332,495 3.097,496 3.857,497 4.18,498 4.18,499 4.18,500 1.924,501 3.522,502 3.783,503 2.706,504 246.267,505 6.306,506 1954.89,508 1,511 153.58,512 1.095,513 3.765,514 0.133,516 0.058,517 0.037,518 0.036,519 0.014,520 0.012,521 0.014,524 0.305,525 1,526 0.816,527 52.825,528 -0.112,529 0.025,530 0.05,531 -0.069,532 0.052,533 -0.094,534 -0.136,535 -0.083,536 -0.106,537 -0.023,538 -0.095,539 0.074,540 -0.149,541 -0.022,542 -0.118,543 0.111,544 -0.086,545 0.024,546 0.055,547 0.05,548 0.061,549 0.072,550 0.058,551 -0.058,552 0.097,553 -0.091,554 -0.007,555 -0.11,556 -0.046,557 -0.138,558 -0.139,559 -0.19,560 -0.181,561 -0.17,562 -0.19,563 -0.161,564 -0.102,565 -0.212,566 -0.174,567 -0.218,568 -0.194,569 0.036,570 0.111,571 0.142,572 0.161,573 -0.056,574 0.162,575 0.919,576 1.657,577 0.786,578 6.816,579 0.984,580 0.992,581 0.624,582 2.773,583 2.996,584 3.219,585 3.401,586 3.401,587 3.296,588 3.258,589 3.135,590 2.89,591 2.565,592 3.837,593 0.573,594 191.31,595 2.773,596 4.234,597 5.043,598 5.872,599 6.698,600 7.533,601 8.364,602 9.2,603 10.032,604 10.869,605 1,607 1,612 1,613 3,614 1,616 2,617 6,619 1,622 31,623 6,625 15,626 32,627 11,628 5,632 2,633 2,636 1,638 5,640 5,642 5,643 6,652 1,654 17,655 3,656 3,657 3,659 3,660 1,662 1,664 1,665 1,672 1,673 2,676 14,677 1,679 5,680 1,681 1,691 7,692 5.117,693 3.278,694 1.994,695 1.215,696 1.22,697 0.962,698 3.118,699 4.721}
{0 CHEMBL537405,1 1.209,3 3.73,4 1.15,6 9.8,7 1.009,8 3.839,9 0.476,10 0.05,11 31.7,12 -0.275,13 2,14 -2.24,15 -2.28,16 -2.25,17 1.305,18 6.294,19 1.461,20 75.329,21 5.766,22 0.353,23 3.746,24 3.919,25 3.063,26 3.166,27 4.719,28 3.1,29 4.294,30 4.554,31 3.362,32 3.515,33 5.119,34 3.422,35 4.512,36 4.773,37 3.476,38 3.72,39 5.347,40 3.601,41 4.678,42 4.956,43 3.509,44 3.828,45 5.496,46 3.669,47 4.748,48 5.04,49 3.435,50 3.819,51 5.583,52 3.65,53 4.731,54 5.043,55 3.132,56 3.694,57 5.544,58 3.482,59 4.62,60 4.982,61 2.514,62 3.438,63 5.29,64 3.144,65 4.279,66 4.662,67 2.039,68 3.106,69 4.71,70 2.745,71 0.066,72 0.577,73 10.426,74 3.372,75 10.439,76 5.507,77 0.149,78 0.839,79 17.222,80 4.998,81 16.352,82 8.512,83 0.244,84 1.02,85 21.442,86 6.591,87 20.859,88 10.753,89 0.245,90 1.121,91 24.459,92 8.223,93 27.526,94 12.945,95 0.271,96 1.137,97 26.27,98 7.651,99 34.95,100 12.891,101 0.28,102 1.011,103 25.43,104 6.784,105 37.586,106 11.909,107 0.264,108 0.75,109 21.477,110 5.98,111 33.205,112 10.196,113 0.095,114 0.485,115 14.06,116 5.328,117 14.265,118 8.069,119 50,120 23,121 0.239,122 0.528,123 0.687,124 0.723,125 0.786,126 0.786,127 2.908,128 1.082,129 4,132 1,133 1,134 2,142 1,143 2,144 2,151 1,152 1,153 1,158 3,162 4,164 1,166 1,167 1,169 1,177 1,178 2,179 1,181 1,182 4,185 4,186 1,187 1,193 2,196 6,199 4,207 4,213 315,214 10.836,215 10.836,216 10.836,217 10.836,218 10.836,219 10.109,220 20.722,221 6.352,222 11.094,223 8.273,224 8.273,225 8.273,226 8.273,227 8.273,228 7.108,229 35.58,230 2.851,231 8.673,232 4.052,233 2.475,234 1.604,235 1.409,236 1.068,237 1.068,238 3.525,240 1,241 203,242 3.536,245 60.476,247 1.052,248 9.693,251 1,252 1,253 1,254 1,255 1,256 1,257 1,258 36,259 107,260 4.432,261 3.356,262 6.719,263 4.097,264 3.135,265 4.059,266 0.8,267 10.837,268 3.02,269 3.72,270 2.846,271 5.915,272 3.539,273 2.594,274 2.891,275 0.522,276 8.013,277 2.445,278 3.193,279 2.342,280 5.026,281 3.098,282 2.135,283 2.232,284 0.4,285 5.597,286 2.052,287 2.917,288 1.763,289 4.491,290 2.647,291 1.671,292 2.086,294 4.377,295 1.628,296 2.881,297 1.692,298 4.041,299 2.448,300 1.51,301 1.932,302 3.453,303 1.415,304 1.997,305 1.11,306 3.374,307 1.845,308 0.907,309 0.968,310 1.956,311 0.848,312 1.594,313 0.688,314 2.824,315 1.397,316 0.46,317 0.508,318 0.847,319 0.43,320 1.057,321 0.097,322 2.452,323 0.812,324 -0.122,325 -0.137,327 -0.246,328 -0.114,329 0.695,330 -0.388,331 2.264,332 0.325,333 -0.613,334 -0.737,336 -1.352,337 -0.573,338 0.356,339 -0.776,340 1.906,341 0.018,342 -0.928,343 -1,345 -2,346 -0.875,348 -1,349 1.625,351 -1,352 -1,354 -2,355 -1,357 -1,358 1.268,360 -1,361 -1.125,363 -2.358,364 -1,365 -0.334,366 -1.115,367 1.116,368 -0.487,369 -1.408,370 -1.462,372 -3.838,373 -1.296,374 -0.483,375 -1.377,376 1,377 -0.661,378 -1.633,379 -1.916,380 -0.4,381 -4.716,382 -1.572,383 -0.5,384 -1.479,385 1,386 -0.869,387 -1.802,388 -2.046,389 -0.4,390 -5.246,391 -1.7,392 8.1,393 0.532,394 0.031,395 17.5,396 1.029,397 7,398 0.412,399 10.5,400 0.618,401 16.341,402 0.961,403 20.7,404 0.505,405 10.995,406 0.647,407 3.245,408 0.191,409 4.724,410 0.278,411 0.358,413 0.358,415 1.204,416 1.731,417 1.137,418 1.41,419 1.422,420 1.287,421 1.277,422 1.23,423 0.926,424 0.956,425 0.817,426 0.91,427 1.249,428 1.07,429 1.102,430 1.035,431 0.827,432 1.05,433 0.659,434 1.172,435 0.97,436 1.179,437 0.717,438 1.118,439 1.24,440 1.164,441 1.144,442 1.12,443 1.231,444 1.121,445 1.547,446 1.122,447 1.302,448 1.127,449 1.536,450 1.179,451 1.404,452 0.652,453 1.143,454 0.807,455 1.713,456 0.927,457 0.143,458 0.686,459 0.657,460 0.851,461 0.255,462 0.816,463 4,465 2.222,466 1.438,467 1.213,468 0.75,469 0.323,470 0.125,473 1731,474 3322,475 1.807,476 58.5,478 7,480 2,481 3,483 12,485 1.579,486 1.619,487 2.699,488 1.193,490 1,492 1,493 53.515,494 1.305,495 2.883,496 3.753,497 3.948,498 4.29,499 4.29,500 2.184,501 3.617,502 4.057,503 2.818,504 383.253,505 6.905,506 3494.06,507 1,508 1,511 219.66,512 1.58,513 3.954,514 0.235,516 0.097,517 0.058,518 0.049,519 0.034,520 0.023,521 0.021,524 0.516,525 0.67,526 1.576,527 69.11,528 -0.043,529 0.016,530 -0.108,531 -0.237,532 -0.049,533 -0.047,534 -0.05,535 0.15,536 0.119,537 0.098,538 0.151,539 -0.016,540 0.119,541 -0.029,542 0.041,543 -0.026,544 0.01,545 0.219,546 -0.082,547 0.03,548 -0.091,549 0.145,550 -0.057,551 -0.087,552 -0.103,553 -0.12,554 -0.124,555 -0.049,556 -0.125,557 -0.276,558 -0.125,559 -0.287,560 -0.21,561 -0.167,562 -0.244,563 -0.285,564 0.17,565 -0.202,566 0.012,567 -0.347,568 -0.072,569 0.166,570 0.001,571 0.145,572 0.066,573 0.193,574 0.098,575 0.982,576 1.871,577 0.353,578 10.443,579 0.982,580 1.018,581 0.601,582 2.89,583 3.178,584 3.367,585 3.555,586 3.664,587 3.526,588 3.332,589 3.178,590 2.639,591 2.197,592 4.146,593 0.545,594 236.41,595 2.89,596 4.394,597 5.209,598 6.075,599 6.923,600 7.794,601 8.651,602 9.523,603 10.385,604 11.257,605 1,607 1,608 1,612 1,613 2,614 1,616 3,617 6,619 1,620 1,622 41,623 6,625 17,626 41,627 13,628 5,632 1,633 1,636 5,640 2,642 5,643 8,652 1,654 24,655 4,656 3,657 4,659 4,660 1,662 1,665 1,672 1,673 1,674 5,676 17,677 1,679 1,680 1,681 2,682 1,691 10.5,692 8.567,693 3.944,694 2.513,695 1.245,696 1.224,697 0.894,698 5.062,699 6}
{0 CHEMBL537406,1 1.501,2 2,3 3.76,4 1.15,5 2,6 9.8,7 1.009,8 3.833,9 0.476,10 0.057,11 31.7,12 -0.275,14 -2.24,15 -2.28,16 -2.25,17 1.305,18 7.412,19 2.254,20 75.541,21 5.766,22 0.353,23 3.746,24 3.919,25 3.063,26 3.166,27 4.7,28 3.1,29 4.294,30 4.554,31 3.291,32 3.506,33 5.091,34 3.398,35 4.497,36 4.775,37 3.432,38 3.662,39 5.269,40 3.532,41 4.579,42 4.853,43 3.469,44 3.728,45 5.418,46 3.592,47 4.674,48 4.959,49 3.356,50 3.761,51 5.506,52 3.593,53 4.695,54 5.015,55 3.087,56 3.668,57 5.435,58 3.45,59 4.557,60 4.904,61 2.731,62 3.445,63 5.218,64 3.182,65 4.311,66 4.678,67 2.154,68 3.134,69 4.892,70 2.818,71 0.066,72 0.577,73 10.426,74 3.372,75 9.159,76 5.507,77 0.155,78 0.824,79 17.15,80 5.069,81 14.324,82 8.536,83 0.207,84 0.96,85 20.582,86 6.527,87 17.773,88 10.561,89 0.269,90 1.038,91 22.663,92 6.878,93 25.038,94 11.26,95 0.266,96 1.07,97 24.59,98 7.128,99 30.181,100 12.005,101 0.25,102 0.963,103 24.13,104 6.953,105 29.209,106 11.774,107 0.204,108 0.755,109 20.269,110 6.012,111 25.011,112 10.051,113 0.162,114 0.532,115 15.341,116 4.731,117 19.179,118 7.738,119 34,120 21,121 0.239,122 0.546,123 0.766,124 0.801,125 0.837,126 0.864,127 2.907,128 1.122,129 2,130 2,132 1,133 3,142 1,143 2,144 2,151 1,152 1,153 1,158 2,162 3,164 1,166 1,167 2,169 1,171 1,177 1,178 2,179 1,181 1,182 2,185 2,186 1,187 1,193 3,196 3,199 2,200 1,202 3,204 2,207 1,211 2,213 337,214 11.629,215 11.629,216 11.629,217 11.629,218 11.629,219 10.902,220 17.559,221 7.292,222 11.866,223 8.24,224 8.24,225 8.24,226 8.24,227 8.24,228 7.061,229 26.312,230 3.178,231 8.623,232 4.052,233 2.377,234 1.177,235 0.982,236 0.787,237 0.641,238 3.535,239 1,240 1,241 241,242 3.24,245 60.841,247 1.19,248 9.312,250 1,251 1,252 1,253 1,254 1,255 1,256 1,257 1,258 36,259 126,260 4.415,261 3.306,262 6.656,263 4.061,264 3.094,265 4.052,266 0.8,267 10.653,268 2.993,269 3.58,270 2.677,271 5.649,272 3.337,273 2.399,274 2.794,275 0.522,276 7.337,277 2.245,278 2.917,279 1.997,280 4.523,281 2.659,282 1.703,283 2.088,284 0.4,285 4.321,286 1.624,287 2.8,288 1.616,289 3.956,290 2.432,291 1.496,292 1.826,294 3.355,295 1.398,296 2.456,297 1.438,298 3.484,299 2.339,300 1.358,301 1.453,302 2.638,303 1.33,304 1.998,305 1.068,306 3.078,307 1.91,308 0.946,309 0.982,310 1.589,311 0.909,312 1.704,313 0.771,314 2.731,315 1.515,316 0.573,317 0.632,318 0.961,319 0.538,320 1.324,321 0.416,322 2.433,323 1.176,324 0.23,325 0.246,327 0.337,328 0.217,329 0.739,330 -0.234,331 2.259,332 0.463,333 -0.487,334 -0.525,336 -0.79,337 -0.461,338 0.716,339 -0.379,340 1.905,341 0.407,342 -0.542,343 -0.598,345 -0.932,346 -0.512,347 0.398,348 -0.499,349 1.617,350 0.257,351 -0.682,352 -0.803,354 -1.445,355 -0.637,356 -0.035,357 -1.093,358 1.258,359 -0.221,360 -1.194,361 -1.344,363 -2.364,364 -1.159,365 -0.395,366 -1.344,367 1.101,368 -0.565,369 -1.51,370 -1.589,372 -3.444,373 -1.427,374 -0.5,375 -1.38,376 0.497,377 -0.674,378 -1.65,379 -1.922,380 -0.4,381 -4.502,382 -1.608,383 -0.527,384 -1.577,385 0.485,386 -0.882,387 -1.823,388 -2.046,389 -0.4,390 -4.943,391 -1.723,392 8.1,393 0.26,394 0.015,395 17.5,396 1.029,397 7,398 0.412,399 10.5,400 0.618,401 15.063,402 0.886,403 20.7,404 0.505,405 10.737,406 0.632,407 3.265,408 0.192,409 4.975,410 0.293,411 0.235,413 0.235,415 1.204,416 1.731,417 1.137,418 1.41,419 1.302,420 1.287,421 1.359,422 1.188,423 1.045,424 1.007,425 0.954,426 0.994,427 0.822,428 1.125,429 0.879,430 1.022,431 0.606,432 0.966,433 1.043,434 1.139,435 1.058,436 1.104,437 0.838,438 1.086,439 1.384,440 1.162,441 1.251,442 1.161,443 1.388,444 1.187,445 1.32,446 1.006,447 1.179,448 1.043,449 1.539,450 1.089,451 1.06,452 0.889,453 1.03,454 0.949,455 1.115,456 0.981,457 0.996,458 0.684,459 1.004,460 0.847,461 1.253,462 0.915,463 2.5,465 2,466 1.313,467 0.893,468 0.528,469 0.284,470 0.118,471 0.025,472 0.02,473 1851,474 3498,475 1.869,476 58.5,477 6,478 9,480 2,481 3,483 4,485 1.576,486 1.729,487 2.879,488 1.193,490 1,492 1,493 53.515,494 1.305,495 2.98,496 4.18,497 4.375,498 4.571,499 4.717,500 2.419,501 3.852,502 4.05,503 2.969,504 403.82,505 6.887,506 3677.82,507 1,508 1,510 1,511 219.66,512 1.468,513 3.999,514 0.147,516 0.095,517 0.055,518 0.037,519 0.026,520 0.02,521 0.013,522 0.006,523 0.01,524 0.41,525 0.67,526 1.9,527 69.949,528 -0.043,529 0.016,530 -0.108,531 -0.124,532 -0.049,533 -0.131,534 -0.007,535 0.028,536 0.066,537 -0.034,538 0.065,539 0.187,540 -0.026,541 0.143,542 0.043,543 0.139,544 0.082,545 0.131,546 -0.009,547 -0.009,548 -0.058,549 0.129,550 -0.05,551 -0.162,552 -0.068,553 -0.211,554 -0.157,555 -0.123,556 -0.185,557 -0.211,558 -0.042,559 -0.194,560 -0.112,561 -0.252,562 -0.146,563 -0.116,564 -0.033,565 -0.098,566 -0.059,567 -0.043,568 -0.074,569 -0.142,570 0.096,571 -0.108,572 0.006,573 -0.185,574 -0.04,575 0.96,576 1.863,577 0.353,578 11.91,579 0.982,580 1.018,581 0.601,582 2.89,583 3.091,584 3.332,585 3.526,586 3.611,587 3.466,588 3.367,589 3.091,590 2.833,591 2.303,592 4.426,593 0.545,594 236.41,595 2.89,596 4.344,597 5.153,598 5.994,599 6.836,600 7.691,601 8.545,602 9.404,603 10.262,604 11.123,605 1,607 1,608 1,612 1,613 2,614 1,616 3,617 6,619 1,620 1,622 41,623 6,625 17,626 41,627 13,628 5,632 1,633 1,636 3,640 2,642 5,643 8,652 1,654 24,655 4,656 3,657 4,659 4,660 1,662 1,665 1,672 1,673 1,674 3,676 17,677 1,679 5,680 1,682 1,691 9.833,692 7.9,693 4.25,694 2.754,695 1.245,696 1.224,697 0.913,698 6.123,699 5}
{0 CHEMBL537623,1 0.454,3 3.7,4 1.152,6 11.4,7 0.456,8 3.829,9 0.473,10 0.051,11 31.4,12 -0.326,14 -1.69,15 -1.75,16 -1.78,17 1.344,18 6.067,19 0.206,20 66.493,21 5.953,22 0.4,23 3.599,24 3.773,25 2.947,26 3.005,27 4.6,28 2.952,29 4.126,30 4.388,31 3.186,32 3.331,33 4.975,34 3.245,35 4.291,36 4.557,37 3.329,38 3.502,39 5.123,40 3.397,41 4.382,42 4.626,43 3.353,44 3.593,45 5.292,46 3.462,47 4.56,48 4.858,49 3.178,50 3.582,51 5.412,52 3.409,53 4.496,54 4.827,55 2.7,56 3.387,57 5.269,58 3.146,59 4.27,60 4.651,61 1.987,62 3.032,63 4.844,64 2.696,65 3.797,66 4.198,67 1.271,68 2.532,69 4.174,70 2.124,71 0.056,72 0.497,73 8.844,74 2.686,75 8.499,76 4.525,77 0.145,78 0.698,79 14.564,80 3.938,81 14.267,82 6.905,83 0.193,84 0.815,85 17.022,86 5.245,87 15.247,88 8.549,89 0.201,90 0.894,91 18.769,92 6.01,93 21.166,94 9.647,95 0.263,96 0.895,97 22.004,98 5.797,99 30.485,100 10.187,101 0.25,102 0.719,103 20.075,104 5.11,105 31.09,106 9.117,107 0.177,108 0.466,109 15.079,110 4.355,111 21.292,112 7.313,113 0.069,114 0.255,115 8.826,116 3.106,117 9.372,118 4.84,119 30,120 19,121 0.256,122 0.578,123 0.769,124 0.813,125 0.856,126 0.856,127 2.795,128 1.072,129 2,132 1,133 3,142 1,143 2,144 2,151 1,152 1,153 1,158 2,162 3,164 1,166 1,167 1,169 1,177 1,178 2,179 1,181 1,182 2,185 2,186 1,187 1,193 1,196 3,199 2,207 1,213 225,214 10.215,215 10.215,216 10.215,217 10.215,218 10.215,219 9.488,220 17.559,221 6.162,222 10.523,223 7.202,224 7.202,225 7.202,226 7.202,227 7.202,228 6.023,229 26.312,230 2.587,231 7.607,232 3.785,233 2.096,234 1.093,235 0.865,236 0.636,237 0.636,238 3.411,240 1,241 173,242 2.915,245 51.619,247 0.889,248 8.304,251 1,252 1,253 1,254 1,255 1,256 1,257 1,258 32,259 91,260 4.414,261 3.304,262 6.654,263 4.059,264 3.092,265 4.052,266 0.8,267 10.644,268 2.992,269 3.571,270 2.664,271 5.641,272 3.319,273 2.383,274 2.789,275 0.522,276 7.281,277 2.226,278 2.917,279 1.957,280 4.488,281 2.566,282 1.618,283 2.088,284 0.4,285 4.126,286 1.53,287 2.723,288 1.581,289 3.918,290 2.402,291 1.474,292 1.745,294 3.283,295 1.366,296 2.188,297 1.216,298 3.284,299 2.015,300 1.059,301 1.162,302 1.95,303 1.01,304 1.732,305 0.86,306 2.816,307 1.557,308 0.618,309 0.671,310 0.958,311 0.578,312 1.228,313 0.333,314 2.436,315 1.133,316 0.174,317 0.18,318 0.228,319 0.166,320 0.947,321 -0.044,322 2.268,323 0.708,324 -0.236,325 -0.263,327 -0.371,328 -0.223,329 0.685,330 -0.41,331 1.883,332 0.321,333 -0.618,334 -0.743,336 -1.29,337 -0.578,338 0.306,339 -0.806,340 1.551,341 0.017,342 -0.936,343 -1.111,345 -1.835,346 -0.89,347 -0.315,348 -1.099,349 1.377,350 -0.443,351 -1.368,352 -1.405,354 -2.935,355 -1.265,356 -0.461,357 -1.376,358 0.5,359 -0.65,360 -1.618,361 -1.883,362 -0.4,363 -4.432,364 -1.548,365 -0.5,366 -1.446,367 0.498,368 -0.828,369 -1.768,370 -2.045,371 -0.4,372 -4.916,373 -1.684,374 -0.696,375 -1.655,376 0.453,377 -0.938,378 -1.873,379 -2.239,380 -0.4,381 -5.63,382 -1.742,383 -0.739,384 -2,385 0.231,386 -1.037,387 -2,388 -3,389 -0.522,390 -7.06,391 -1.94,392 7.1,393 0.26,394 0.017,395 16.5,396 1.1,397 7,398 0.467,399 9.5,400 0.633,401 11.856,402 0.79,403 18.1,404 0.517,405 10.076,406 0.672,407 3.308,408 0.221,409 3.932,410 0.262,411 0.268,413 0.268,415 1.213,416 1.767,417 1.095,418 1.395,419 1.328,420 1.252,421 1.4,422 1.144,423 0.985,424 0.903,425 0.956,426 0.895,427 0.925,428 1.022,429 0.891,430 0.945,431 0.646,432 0.918,433 0.771,434 1.387,435 1.122,436 1.398,437 0.82,438 1.315,439 1.355,440 1.121,441 1.224,442 1.119,443 1.321,444 1.151,445 1.456,446 0.93,447 1.273,448 1.023,449 1.605,450 1.112,451 0.902,452 0.595,453 0.923,454 0.762,455 1.146,456 0.834,457 0.118,458 0.622,459 0.595,460 0.798,461 0.254,462 0.76,463 2.5,465 2,466 1.188,467 0.893,468 0.528,469 0.162,470 0.031,473 1229,474 2588,475 1.852,476 57.1,478 9,480 2,481 3,483 6,485 1.54,486 1.698,487 2.634,488 1.313,490 1,493 47.033,494 1.344,495 3.033,496 4.036,497 4.265,498 4.493,499 4.493,500 2.149,501 3.774,502 3.874,503 2.691,504 282.581,505 6.538,506 2353.67,508 1,511 179.525,512 1.53,513 3.806,514 0.167,516 0.105,517 0.054,518 0.043,519 0.033,520 0.02,521 0.01,524 0.432,525 0.67,526 1.621,527 57.724,528 -0.069,529 0.016,530 -0.127,531 -0.175,532 -0.056,533 -0.158,534 0.02,535 0.073,536 0.138,537 -0.032,538 0.134,539 0.116,540 0.118,541 0.134,542 0.133,543 0.098,544 0.135,545 0.189,546 -0.191,547 -0.101,548 -0.262,549 0.106,550 -0.223,551 -0.168,552 -0.095,553 -0.214,554 -0.171,555 -0.1,556 -0.194,557 -0.3,558 -0.025,559 -0.298,560 -0.156,561 -0.272,562 -0.217,563 -0.096,564 0.112,565 -0.04,566 0.061,567 -0.138,568 0.023,569 0.215,570 -0.03,571 0.199,572 0.075,573 0.19,574 0.127,575 0.968,576 1.78,577 0.4,578 8.667,579 0.985,580 0.208,581 0.603,582 2.773,583 2.996,584 3.258,585 3.434,586 3.497,587 3.258,588 3.045,589 2.708,590 2.197,591 1.386,592 3.81,593 0.551,594 208.35,595 2.773,596 4.234,597 5.056,598 5.905,599 6.756,600 7.614,601 8.471,602 9.332,603 10.191,604 11.052,605 1,607 1,608 1,612 1,613 2,614 1,616 3,617 6,619 1,620 1,622 35,623 6,625 15,626 35,627 11,628 5,632 1,633 1,636 3,642 5,643 6,652 1,654 20,655 4,656 3,657 4,659 4,660 1,662 1,665 1,672 1,673 1,674 3,676 15,677 1,679 3,680 1,682 1,691 8.833,692 6.9,693 3.75,694 2.254,695 1.253,696 1.235,697 0.916,698 4.689,699 5.602}
{0 CHEMBL537624,1 -0.057,2 1,3 5.479,4 1.149,5 1,6 12.5,7 0.084,8 3.8,9 0.473,10 0.053,11 33.3,12 -0.125,14 -1.31,15 -1.4,16 -1.46,17 1.382,18 4.818,19 0.003,20 47.316,21 6.302,22 0.545,23 3.239,24 3.408,25 2.637,26 2.684,27 4.309,28 2.641,29 3.713,30 3.95,31 2.827,32 2.984,33 4.656,34 2.897,35 3.874,36 4.149,37 2.845,38 3.047,39 4.747,40 2.931,41 3.817,42 4.076,43 2.686,44 2.969,45 4.757,46 2.828,47 3.853,48 4.163,49 2.338,50 2.833,51 4.727,52 2.634,53 3.642,54 3.997,55 1.638,56 2.48,57 4.344,58 2.192,59 3.146,60 3.55,61 0.644,62 1.82,63 3.689,64 1.44,65 2.195,66 2.648,67 0.062,68 0.835,69 2.303,70 0.485,71 0.04,72 0.351,73 5.823,74 1.802,75 6.707,76 2.999,77 0.082,78 0.484,79 9.414,80 2.746,81 11.063,82 4.663,83 0.118,84 0.516,85 11.016,86 3.316,87 12.737,88 5.485,89 0.107,90 0.481,91 10.43,92 3.084,93 14.547,94 5.157,95 0.15,96 0.42,97 10.836,98 2.857,99 19.738,100 4.964,101 0.101,102 0.28,103 8.548,104 2.328,105 14.594,106 4.026,107 0.06,108 0.129,109 5.017,110 1.391,111 9.736,112 2.381,113 0.02,114 0.031,115 1.747,116 0.505,117 2.573,118 0.85,119 10,120 13,121 0.291,122 0.691,123 0.852,124 0.87,125 0.87,126 0.87,127 2.521,128 1.023,129 1,133 2,141 1,142 1,143 1,144 2,151 1,152 1,153 1,158 1,162 3,164 1,167 1,169 1,171 2,174 1,179 1,181 1,182 1,185 1,186 1,187 1,196 1,199 1,213 96,214 7.638,215 7.638,216 7.638,217 7.638,218 7.638,219 6.886,220 11.293,221 4.821,222 7.812,223 5.331,224 5.331,225 5.331,226 5.331,227 5.331,228 4.199,229 17.066,230 2.089,231 5.563,232 3.203,233 1.298,234 0.531,235 0.448,236 0.448,237 0.448,238 3.117,241 101,242 2,245 34.943,247 0.777,248 6.481,251 1,252 0.83,253 0.83,254 1,255 1,256 1,257 0.95,258 23.5,259 53,260 4.191,261 3.03,262 6.129,263 3.812,264 2.835,265 3.8,266 0.522,267 8.976,268 2.77,269 2.948,270 1.988,271 4.401,272 2.641,273 1.683,274 2.108,275 0.4,276 4.278,277 1.609,278 2.917,279 1.559,280 3.631,281 2.41,282 1.48,283 2.069,285 3.06,286 1.374,287 2.166,288 1.12,289 3.107,290 1.964,291 1,292 1.132,294 1.757,295 0.961,296 1.657,297 0.734,298 2.658,299 1.436,300 0.499,301 0.564,302 0.748,303 0.466,304 0.946,305 -0.057,306 2,307 0.708,308 -0.237,309 -0.264,310 -0.363,311 -0.223,312 0.579,313 -0.627,314 1.803,315 0.159,316 -0.804,317 -0.976,318 -1.486,319 -0.773,320 0.286,321 -0.933,322 1.233,323 -0.049,324 -1,325 -1.311,327 -2.134,328 -0.947,329 -0.477,330 -1.379,331 0.494,332 -0.67,333 -1.648,334 -2.033,336 -4.196,337 -1.602,338 -0.5,339 -1.555,340 0.319,341 -0.874,342 -1.809,343 -2.088,344 -0.4,345 -4.613,346 -1.698,347 -0.712,348 -2,349 0.226,350 -1.036,351 -2,352 -3,353 -0.522,354 -6.028,355 -1.938,392 5.2,393 0.119,394 0.011,395 13.25,396 1.205,397 6.5,398 0.591,399 6.75,400 0.614,401 6.339,402 0.576,403 12.8,404 0.533,405 6.877,406 0.625,407 2.74,408 0.249,409 2.64,410 0.24,411 0.173,413 0.192,415 1.241,416 1.483,417 1.037,418 1.19,419 1.311,420 1.101,421 1.198,422 1.216,423 1.022,424 1.053,425 1.007,426 1.02,427 0.863,428 1.009,429 0.872,430 0.949,431 0.651,432 0.917,433 0.964,434 1.31,435 1.161,436 1.321,437 0.94,438 1.274,439 1.231,440 0.915,441 1.218,442 1.052,443 1.28,444 1.122,445 1.018,446 0.768,447 1.058,448 0.92,449 1.102,450 0.984,451 0.665,452 0.474,453 0.736,454 0.626,455 1.148,456 0.681,463 1.5,465 1.111,466 0.5,467 0.382,468 0.208,469 0.04,473 553,474 1344,475 1.898,476 54.2,478 5,480 2,481 3,483 3,485 1.43,486 1.784,487 2.403,488 1.574,493 33.178,494 1.382,495 3.287,496 4.054,497 4.137,498 4.137,499 4.137,500 1.868,501 3.278,502 3.428,503 2.418,504 132.981,505 5.604,506 885.506,508 1,511 110.039,512 1.309,513 3.391,514 0.136,516 0.085,517 0.038,518 0.038,519 0.035,520 0.02,524 0.353,525 1,526 1.523,527 36.694,528 -0.159,529 -0.011,530 -0.011,531 -0.208,532 0.005,533 -0.154,534 -0.068,535 -0.028,536 0.002,537 -0.094,538 0.003,539 0.082,540 0.013,541 0.096,542 0.057,543 0.09,544 0.076,545 0.012,546 -0.25,547 -0.195,548 -0.309,549 0.016,550 -0.282,551 -0.132,552 0.005,553 -0.255,554 -0.167,555 -0.136,556 -0.218,557 -0.139,558 -0.017,559 -0.141,560 -0.076,561 -0.111,562 -0.104,563 0.046,564 0.086,565 0.145,566 0.155,567 -0.084,568 0.161,569 0.444,570 0.294,571 0.837,572 0.709,573 0.498,574 0.808,575 0.94,576 1.513,577 0.545,578 4.975,579 0.988,580 0.007,581 0.618,582 2.485,583 2.639,584 2.833,585 2.944,586 2.944,587 2.485,588 2.079,589 1.609,590 1.099,591 0.693,592 3.197,593 0.571,594 151.24,595 2.485,596 3.892,597 4.673,598 5.476,599 6.282,600 7.094,601 7.905,602 8.719,603 9.531,604 10.344,605 1,607 1,612 1,613 3,614 1,616 2,617 6,619 1,622 24,623 6,625 11,626 24,627 8,628 5,632 1,633 1,636 2,642 5,643 3,654 13,655 3,656 3,657 3,659 3,660 1,662 1,665 1,672 1,673 1,674 1,676 11,677 1,679 2,680 1,691 6.167,692 4.283,693 2.778,694 1.453,695 1.244,696 1.263,697 0.929,698 3.019,699 6.301}
{0 CHEMBL537628,1 1.909,2 6,3 5.701,4 1.141,5 4,6 8.1,7 1.549,8 3.833,9 0.481,10 0.077,11 35.1,12 -0.01,13 5,14 -2.78,15 -2.79,16 -2.71,17 1.288,18 6.563,19 3.642,20 68.183,21 5.929,22 0.353,23 3.664,24 3.826,25 3.027,26 3.165,27 4.57,28 3.097,29 4.243,30 4.466,31 3.286,32 3.568,33 5.023,34 3.445,35 4.596,36 4.881,37 3.399,38 3.759,39 5.279,40 3.597,41 4.642,42 4.947,43 3.171,44 3.678,45 5.326,46 3.468,47 4.501,48 4.837,49 3.025,50 3.494,51 5.186,52 3.296,53 4.24,54 4.521,55 2.953,56 3.4,57 4.962,58 3.223,59 4.238,60 4.537,61 2.737,62 3.3,63 4.964,64 3.087,65 4.119,66 4.476,67 2.12,68 2.963,69 4.745,70 2.666,71 0.057,72 0.544,73 9.339,74 3.4,75 7.251,76 5.258,77 0.104,78 0.849,79 16.159,80 5.783,81 11.481,82 8.999,83 0.181,84 1.063,85 22.286,86 7.805,87 17.142,88 12.168,89 0.208,90 1.027,91 23.105,92 7.537,93 21.702,94 12.097,95 0.214,96 0.848,97 19.811,98 6.189,99 22.817,100 10.049,101 0.117,102 0.732,103 15.511,104 5.396,105 12.577,106 8.463,107 0.125,108 0.685,109 15.343,110 5.052,111 14.839,112 8.106,113 0.122,114 0.509,115 13.073,116 4.064,117 14.306,118 6.664,119 3,120 21,121 0.24,122 0.54,123 0.675,124 0.76,125 0.801,126 0.801,127 2.852,128 1.111,130 6,133 1,134 1,141 1,142 1,143 1,144 2,151 1,152 1,153 1,158 1,162 4,164 1,167 1,169 1,171 4,173 5,174 1,179 1,180 2,181 1,182 2,185 2,186 1,187 1,193 2,196 2,198 4,199 2,200 2,202 2,203 2,204 2,206 2,208 2,213 250,214 11.198,215 11.198,216 11.198,217 11.198,218 11.198,219 10.447,220 12.874,221 7.032,222 11.329,223 8.365,224 8.365,225 8.365,226 8.365,227 8.365,228 7.244,229 22.066,230 3.288,231 8.582,232 3.922,233 2.314,234 1.595,235 1.135,236 0.919,237 0.919,238 3.513,240 1,241 218,242 1.871,245 50.07,246 53.242,247 0.992,248 7.962,250 1,251 1,252 1,253 1,254 1,255 1,256 1,257 1,258 33.5,259 105,260 4.206,261 3.072,262 6.16,263 3.851,264 2.878,265 3.805,266 0.522,267 9.123,268 2.801,269 3.469,270 2.549,271 5.315,272 3.403,273 2.421,274 2.501,275 0.4,276 6.856,277 2.375,278 2.917,279 1.836,280 4.327,281 2.664,282 1.68,283 2.088,285 4.091,286 1.652,287 2.873,288 1.613,289 3.704,290 2.462,291 1.51,292 1.983,294 3.299,295 1.438,296 2.577,297 1.426,298 3.608,299 2.35,300 1.388,301 1.58,302 2.999,303 1.33,304 2.247,305 1.247,306 3.414,307 2.247,308 1.247,309 1.247,310 2.606,311 1.247,312 1.732,313 0.753,314 2.914,315 1.484,316 0.544,317 0.629,318 0.971,319 0.51,320 1.252,321 0.33,322 2.617,323 1.123,324 0.167,325 0.176,327 0.328,328 0.159,329 0.791,330 -0.225,331 2,332 0.588,333 -0.37,334 -0.405,336 -0.738,337 -0.353,338 0.574,339 -0.445,340 2,341 0.555,342 -0.445,343 -0.445,345 -1,346 -0.445,347 0.555,348 -0.672,349 1.872,350 0.139,351 -0.823,352 -1.02,354 -1.827,355 -0.791,356 0.201,357 -0.99,358 1.4,359 -0.095,360 -1.051,361 -1.341,363 -2.674,364 -1.002,365 -0.481,366 -1.379,367 1.082,368 -0.666,369 -1.644,370 -1.802,372 -3.698,373 -1.6,374 -0.5,375 -1.558,376 0.586,377 -0.748,378 -1.727,379 -1.815,381 -4.237,382 -1.675,383 -0.666,384 -1.802,385 0.494,386 -0.802,387 -1.802,388 -2.037,390 -4.606,391 -1.802,392 7.7,393 0.188,394 0.012,395 16.25,396 1.016,397 6.5,398 0.406,399 9.75,400 0.609,401 13.977,402 0.874,403 18.7,404 0.505,405 8.159,406 0.51,407 2.678,408 0.167,409 5.22,410 0.326,411 0.052,413 0.195,415 1.181,416 1.379,417 1.082,418 1.198,419 1.169,420 1.141,421 1.042,422 1.337,423 1.135,424 1.26,425 0.863,426 1.214,427 0.81,428 1.048,429 0.93,430 1.022,431 0.546,432 0.993,433 0.983,434 1.128,435 1.079,436 1.131,437 0.756,438 1.116,439 1.14,440 0.676,441 0.875,442 0.702,443 1.071,444 0.754,445 1.037,446 1.069,447 1.085,448 1.091,449 1.126,450 1.092,451 1.14,452 1.125,453 1.173,454 1.159,455 1.474,456 1.168,457 1.085,458 0.845,459 1.012,460 0.91,461 1.426,462 0.947,463 2,465 1.111,466 0.625,467 0.587,468 0.212,469 0.121,470 0.084,471 0.041,473 1924,474 3483,475 2.066,476 56.8,477 8,478 4,480 2,481 3,483 4,485 1.552,486 2,487 2.811,488 1.189,490 1,491 1,492 1,493 47.651,494 1.288,495 2.895,496 3.614,497 4.074,498 4.291,499 4.291,500 2.149,501 3.328,502 3.977,503 2.883,504 345.934,505 6.697,506 3033.83,507 1,508 1,510 1,511 192.75,512 1.014,513 3.962,514 0.118,516 0.053,517 0.027,518 0.037,519 0.014,520 0.009,521 0.008,522 0.01,524 0.276,525 1,526 0.75,527 64.318,528 -0.084,529 0.026,530 0.04,531 -0.032,532 0.043,533 -0.077,534 -0.152,535 -0.098,536 -0.131,537 -0.004,538 -0.119,539 0.091,540 -0.032,541 0.051,542 -0.001,543 0.119,544 0.017,545 0.019,546 -0.169,547 -0.109,548 -0.175,549 0.074,550 -0.157,551 -0.014,552 0.223,553 0.09,554 0.185,555 -0.016,556 0.153,557 -0.109,558 -0.045,559 -0.103,560 -0.073,561 -0.141,562 -0.085,563 -0.143,564 -0.15,565 -0.201,566 -0.193,567 -0.226,568 -0.201,569 -0.107,570 -0.035,571 -0.091,572 -0.059,573 -0.159,574 -0.071,575 0.919,576 1.719,577 0.813,578 8.672,579 0.98,580 2.399,581 0.618,582 2.89,583 3.091,584 3.296,585 3.466,586 3.611,587 3.584,588 3.401,589 3.367,590 3.332,591 3.219,592 4.271,593 0.562,594 219.37,595 2.89,596 4.344,597 5.142,598 5.958,599 6.774,600 7.599,601 8.421,602 9.25,603 10.074,604 10.904,605 1,607 1,612 1,613 3,614 1,616 2,617 6,619 1,622 37,623 6,625 17,626 38,627 13,628 5,632 2,633 2,636 1,638 7,640 7,642 5,643 8,652 1,654 21,655 3,656 3,657 3,659 3,660 1,662 1,665 1,666 1,672 1,673 2,676 16,677 1,679 7,680 1,681 1,691 8,692 6.117,693 3.778,694 2.494,695 1.185,696 1.204,697 0.952,698 4.315,699 4.745}
{0 CHEMBL537845,1 -0.597,3 3.534,4 1.157,6 15.4,7 -0.456,8 3.812,9 0.467,10 0.049,11 30.8,12 -0.253,14 -0.77,15 -0.89,16 -1,17 1.42,18 4.75,19 0.357,20 52.762,21 6.395,22 0.5,23 3.329,24 3.507,25 2.734,26 2.717,27 4.431,28 2.69,29 3.797,30 4.049,31 2.947,32 3.031,33 4.746,34 2.97,35 3.906,36 4.147,37 3.084,38 3.165,39 4.846,40 3.083,41 4.001,42 4.234,43 3.015,44 3.171,45 5.042,46 3.06,47 4.158,48 4.477,49 2.56,50 3.047,51 5.075,52 2.855,53 3.929,54 4.308,55 1.55,56 2.639,57 4.615,58 2.31,59 3.33,60 3.767,61 0.515,62 1.911,63 3.611,64 1.446,65 2.195,66 2.648,67 0.062,68 0.835,69 2.303,70 0.485,71 0.046,72 0.377,73 6.402,74 1.716,75 8.395,76 3.07,77 0.119,78 0.512,79 10.371,80 2.614,81 12.929,82 4.716,83 0.114,84 0.579,85 11.399,86 3.581,87 10.478,88 5.822,89 0.161,90 0.588,91 12.753,92 3.512,93 18.575,94 6.01,95 0.249,96 0.501,97 15.136,98 3.097,99 30.374,100 6.081,101 0.186,102 0.292,103 11.756,104 2.651,105 23.737,106 4.948,107 0.066,108 0.111,109 6.082,110 1.785,111 8.945,112 2.988,113 0.024,114 0.023,115 1.809,116 0.468,117 2.799,118 0.825,119 19,120 15,121 0.292,122 0.635,123 0.718,124 0.718,125 0.718,126 0.718,127 2.598,128 0.964,132 2,133 1,142 1,143 2,144 2,151 1,152 1,153 1,162 3,164 1,167 1,169 2,179 3,181 2,186 1,187 1,213 116,214 8.301,215 8.301,216 8.301,217 8.301,218 8.301,219 7.549,220 14.205,221 4.888,222 8.529,223 5.697,224 5.697,225 5.697,226 5.697,227 5.697,228 4.452,229 21.972,230 1.977,231 5.972,232 3.281,233 1.615,234 1.212,235 1.212,236 1.212,237 1.212,238 3.196,241 108,242 2.121,245 38.571,247 0.667,248 7.453,251 1,252 0.83,253 0.83,254 1,255 1,256 1,257 0.95,258 26,259 57,260 4.361,261 3.194,262 6.491,263 3.983,264 3.007,265 4.017,266 0.522,267 10.098,268 2.933,269 3.355,270 2.269,271 5.164,272 3.012,273 2.061,274 2.604,275 0.4,276 6.02,277 1.956,278 2.917,279 1.777,280 4.099,281 2.459,282 1.518,283 2.087,284 0.4,285 3.506,286 1.426,287 2.094,288 1.261,289 3.246,290 1.912,291 1,292 1.071,294 1.817,295 0.911,296 1.576,297 0.642,298 2.618,299 1.321,300 0.396,301 0.452,302 0.578,303 0.366,304 1.385,305 0.598,306 2.485,307 1.21,308 0.289,309 0.31,310 0.362,311 0.265,312 0.676,313 -0.284,314 2.227,315 0.356,316 -0.584,317 -0.668,318 -0.97,319 -0.547,320 0.65,321 -0.542,322 1.691,323 0.232,324 -0.694,325 -0.878,327 -1.364,328 -0.639,329 -0.336,330 -1.284,331 0.609,332 -0.58,333 -1.524,334 -1.774,336 -3.894,337 -1.429,338 -0.5,339 -1.382,340 0.53,341 -0.741,342 -1.706,343 -2.043,344 -0.4,345 -4.51,346 -1.644,347 -0.581,348 -1.569,349 0.457,350 -0.828,351 -1.764,352 -2.178,353 -0.4,354 -4.919,355 -1.659,356 -0.596,357 -2,358 0.382,359 -1.036,360 -2,361 -3,362 -0.522,363 -6.725,364 -1.939,392 5.6,393 0.171,394 0.014,395 14.75,396 1.229,397 7,398 0.583,399 7.75,400 0.646,401 7.027,402 0.586,403 14.2,404 0.546,405 8.616,406 0.718,407 3.244,408 0.27,409 2.585,410 0.215,411 0.25,413 0.268,415 1.305,416 1.658,417 1.034,418 1.245,419 1.327,420 1.116,421 1.348,422 1.042,423 0.956,424 0.806,425 1.087,426 0.82,427 0.587,428 1.229,429 0.798,430 1.146,431 0.563,432 1.021,433 0.899,434 1.492,435 1.238,436 1.551,437 0.852,438 1.458,439 1.507,440 0.928,441 1.35,442 1.035,443 1.451,444 1.153,445 1.155,446 0.553,447 1.096,448 0.763,449 1.435,450 0.902,451 0.057,452 0.354,453 0.34,454 0.491,455 0.167,456 0.462,463 2,465 1.556,466 0.938,467 0.693,468 0.243,473 646,474 1685,475 1.861,476 53.8,478 8,480 2,481 4,485 1.466,486 1.714,487 2.347,488 2.537,493 36.908,494 1.42,495 3.085,496 3.489,497 3.489,498 3.489,499 3.489,500 1.73,501 2.459,502 3.555,503 2.346,504 154.866,505 5.888,506 1118.66,511 122.211,512 1.5,513 3.491,514 0.167,516 0.104,517 0.055,518 0.05,519 0.035,524 0.41,525 0.5,526 1.299,527 41.212,528 -0.2,529 -0.011,530 -0.05,531 -0.226,532 -0.007,533 -0.244,534 0.116,535 0.048,536 0.234,537 -0.153,538 0.191,539 0.236,540 -0.061,541 0.161,542 -0.001,543 0.146,544 0.061,545 0.124,546 -0.3,547 -0.257,548 -0.474,549 0.107,550 -0.429,551 -0.305,552 -0.026,553 -0.365,554 -0.206,555 -0.205,556 -0.284,557 -0.215,558 0.113,559 -0.168,560 0.013,561 -0.301,562 -0.061,563 0.359,564 0.042,565 0.501,566 0.317,567 0.346,568 0.417,569 0.463,570 0.223,571 0.847,572 0.693,573 0.539,574 0.812,575 0.991,576 1.595,577 0.5,578 5,579 0.993,580 0.208,581 0.609,582 2.565,583 2.773,584 3.045,585 3.178,586 3.135,587 2.708,588 2.398,589 1.792,590 1.099,592 3.162,593 0.566,594 166.26,595 2.565,596 4.007,597 4.828,598 5.666,599 6.506,600 7.349,601 8.191,602 9.035,603 9.878,604 10.722,605 1,607 2,612 1,613 2,614 1,616 3,617 6,619 2,622 26,623 6,625 12,626 26,627 8,628 5,632 1,633 1,636 1,642 5,643 3,654 14,655 4,656 4,657 4,659 4,660 1,662 1,665 1,672 1,673 1,674 2,676 12,677 1,679 1,680 2,691 7,692 4.95,693 3.056,694 1.342,695 1.261,696 1.257,697 0.932,698 3.166,699 6.921}
{0 CHEMBL541126,1 1.783,2 7,3 5.669,4 1.141,5 3,6 8.1,7 1.549,8 3.832,9 0.481,10 0.08,11 35.1,12 -0.01,13 6,14 -2.78,15 -2.79,16 -2.71,17 1.288,18 7.313,19 3.178,20 68.313,21 5.929,22 0.353,23 3.664,24 3.826,25 3.027,26 3.165,27 4.572,28 3.097,29 4.242,30 4.466,31 3.28,32 3.574,33 5.017,34 3.451,35 4.562,36 4.848,37 3.295,38 3.703,39 5.233,40 3.523,41 4.566,42 4.88,43 3.099,44 3.575,45 5.26,46 3.368,47 4.429,48 4.763,49 2.922,50 3.403,51 5.124,52 3.202,53 4.177,54 4.478,55 2.859,56 3.305,57 4.851,58 3.126,59 4.105,60 4.383,61 2.821,62 3.269,63 4.828,64 3.09,65 4.117,66 4.432,67 2.473,68 3.117,69 4.825,70 2.881,71 0.057,72 0.544,73 9.339,74 3.4,75 7.292,76 5.258,77 0.107,78 0.849,79 16.143,80 5.837,81 11.724,82 9.032,83 0.161,84 1.007,85 21.352,86 7.669,87 15.866,88 11.852,89 0.202,90 0.937,91 21.358,92 6.722,93 21.623,94 10.949,95 0.212,96 0.787,97 18.528,98 5.526,99 21.975,100 9.147,101 0.114,102 0.663,103 14.39,104 4.984,105 12.088,106 7.819,107 0.097,108 0.64,109 13.529,110 4.751,111 10.53,112 7.433,113 0.117,114 0.577,115 13.453,116 4.304,117 13.865,118 6.983,119 3,120 21,121 0.24,122 0.56,123 0.73,124 0.803,125 0.831,126 0.831,127 2.851,128 1.106,130 5,131 1,133 2,141 1,142 1,143 1,144 2,151 1,152 1,153 1,158 1,162 3,164 1,167 1,169 1,171 4,173 3,174 1,179 1,180 2,181 1,182 1,185 1,186 1,187 1,189 1,193 2,196 1,198 4,199 1,200 2,202 2,203 3,204 2,205 1,206 2,207 1,208 2,210 1,212 1,213 256,214 11.198,215 11.198,216 11.198,217 11.198,218 11.198,219 10.447,220 11.293,221 6.977,222 11.328,223 8.348,224 8.348,225 8.348,226 8.348,227 8.348,228 7.217,229 17.066,230 3.238,231 8.552,232 3.922,233 2.209,234 1.297,235 0.906,236 0.757,237 0.757,238 3.511,240 1,241 244,242 2.121,245 104.869,247 1.063,248 7.644,250 1,251 1,252 1,253 1,254 1,255 1,256 1,257 1,258 33.5,259 117,260 4.194,261 3.037,262 6.131,263 3.822,264 2.845,265 3.8,266 0.522,267 8.988,268 2.778,269 3.512,270 2.532,271 5.337,272 3.495,273 2.499,274 2.519,275 0.4,276 6.954,277 2.489,278 2.924,279 1.928,280 4.392,281 2.635,282 1.667,283 2.096,285 4.266,286 1.612,287 2.916,288 1.571,289 3.658,290 2.455,291 1.496,292 2.051,294 3.157,295 1.441,296 2.496,297 1.435,298 3.595,299 2.378,300 1.414,301 1.496,302 3.006,303 1.352,304 2,305 1,306 3.247,307 2,308 1,309 1,310 2.136,311 1,312 1.857,313 0.829,314 3.08,315 1.627,316 0.678,317 0.778,318 1.491,319 0.641,320 1.534,321 0.678,322 2.683,323 1.361,324 0.425,325 0.462,327 0.673,328 0.397,329 0.829,330 -0.19,331 2.19,332 0.6,333 -0.357,334 -0.392,336 -0.733,337 -0.34,338 0.575,339 -0.624,340 2,341 0.213,342 -0.757,343 -0.842,345 -1.562,346 -0.735,347 0.33,348 -0.837,349 1.555,350 0.053,351 -0.903,352 -1,354 -2.065,355 -0.86,357 -1,358 1.355,360 -1,361 -1.19,363 -2.347,364 -1,365 -0.271,366 -1.342,367 1.094,368 -0.438,369 -1.414,370 -1.614,372 -3.853,373 -1.373,374 -0.5,375 -1.38,376 0.687,377 -0.681,378 -1.662,379 -2,381 -4.25,382 -1.633,383 -0.513,384 -1.756,385 0.494,386 -0.983,387 -1.93,388 -2.037,390 -4.789,391 -1.831,392 7.7,393 0.188,394 0.012,395 16.25,396 1.016,397 6.5,398 0.406,399 9.75,400 0.609,401 13.623,402 0.851,403 18.7,404 0.505,405 8.091,406 0.506,407 2.709,408 0.169,409 5.19,410 0.324,411 0.052,413 0.195,415 1.181,416 1.379,417 1.082,418 1.198,419 1.158,420 1.141,421 1.078,422 1.263,423 1.144,424 1.221,425 0.882,426 1.194,427 0.658,428 1.145,429 0.955,430 1.133,431 0.491,432 1.081,433 1.025,434 1.07,435 1.018,436 1.041,437 0.793,438 1.03,439 1.303,440 0.713,441 0.954,442 0.737,443 1.16,444 0.802,445 0.999,446 0.885,447 0.957,448 0.91,449 1.066,450 0.926,451 0.965,452 1.154,453 1.101,454 1.166,455 1.114,456 1.149,457 1.194,458 1.063,459 1.175,460 1.115,461 1.555,462 1.139,463 2,465 1.333,466 0.438,467 0.453,468 0.354,469 0.083,470 0.071,471 0.065,472 0.016,473 2053,474 3696,475 2.066,476 56.8,477 10,478 5,480 2,481 3,483 1,485 1.548,486 2,487 2.924,488 1.189,490 1,491 1,492 1,493 47.651,494 1.288,495 3.001,496 3.913,497 4.304,498 4.453,499 4.453,500 2.227,501 3.156,502 3.976,503 3.01,504 361.177,505 6.677,506 3204.78,507 1,508 1,510 1,511 192.75,512 1.014,513 3.962,514 0.118,516 0.063,517 0.022,518 0.03,519 0.027,520 0.006,521 0.006,522 0.009,523 0.008,524 0.29,525 0.83,526 0.75,527 65.237,528 -0.084,529 0.026,530 0.04,531 -0.022,532 0.043,533 -0.114,534 -0.076,535 -0.108,536 -0.091,537 -0.024,538 -0.098,539 0.135,540 -0.151,541 0.009,542 -0.105,543 0.149,544 -0.066,545 0.041,546 -0.129,547 -0.047,548 -0.112,549 0.089,550 -0.091,551 -0.061,552 0.198,553 0.023,554 0.132,555 -0.043,556 0.093,557 -0.084,558 0.09,559 0.011,560 0.077,561 -0.133,562 0.056,563 -0.08,564 -0.128,565 -0.121,566 -0.137,567 -0.126,568 -0.133,569 -0.164,570 -0.13,571 -0.213,572 -0.187,573 -0.235,574 -0.202,575 0.921,576 1.692,577 0.75,578 9,579 0.98,580 2.399,581 0.618,582 2.89,583 3.091,584 3.296,585 3.434,586 3.555,587 3.332,588 3.332,589 3.296,590 3.296,591 3.178,592 4.575,593 0.562,594 219.37,595 2.89,596 4.344,597 5.142,598 5.953,599 6.765,600 7.582,601 8.398,602 9.217,603 10.035,604 10.855,605 1,607 1,612 1,613 3,614 1,616 2,617 6,619 1,622 37,623 6,625 17,626 38,627 13,628 5,632 2,633 2,636 1,638 5,639 1,640 5,642 5,643 8,644 1,652 1,654 21,655 3,656 3,657 3,659 3,660 1,662 1,665 2,672 1,673 2,676 16,677 1,679 7,680 1,681 1,691 8,692 6.117,693 3.778,694 2.453,695 1.18,696 1.205,697 0.953,698 4.315,699 4.301}
{0 CHEMBL557160,1 1.452,2 5,3 5.677,4 1.142,5 4,6 8.8,7 1.277,8 3.834,9 0.48,10 0.073,11 35.3,12 -0.012,13 4,14 -2.51,15 -2.53,16 -2.48,17 1.308,18 6.467,19 2.109,20 63.582,21 6.039,22 0.375,23 3.588,24 3.748,25 2.969,26 3.088,27 4.514,28 3.025,29 4.158,30 4.378,31 3.235,32 3.489,33 4.96,34 3.375,35 4.475,36 4.763,37 3.242,38 3.606,39 5.179,40 3.439,41 4.442,42 4.75,43 3.063,44 3.486,45 5.169,46 3.299,47 4.298,48 4.608,49 2.956,50 3.368,51 5.049,52 3.193,53 4.155,54 4.438,55 2.833,56 3.292,57 4.883,58 3.111,59 4.117,60 4.432,61 2.473,62 3.117,63 4.825,64 2.881,65 3.887,66 4.264,67 1.681,68 2.66,69 4.46,70 2.326,71 0.053,72 0.505,73 8.533,74 3.049,75 6.965,76 4.753,77 0.097,78 0.787,79 14.801,80 5.202,81 10.973,82 8.158,83 0.171,84 0.927,85 19.814,86 6.649,87 16.334,88 10.549,89 0.188,90 0.847,91 19.095,92 5.97,93 20.646,94 9.737,95 0.181,96 0.737,97 16.547,98 5.171,99 20.202,100 8.388,101 0.113,102 0.664,103 14.293,104 4.818,105 12.118,106 7.655,107 0.119,108 0.576,109 13.571,110 4.324,111 14.188,112 7.026,113 0.1,114 0.372,115 10.343,116 3.198,117 12.243,118 5.25,119 3,120 20,121 0.249,122 0.57,123 0.712,124 0.793,125 0.824,126 0.824,127 2.794,128 1.086,130 5,133 1,134 1,141 1,142 1,143 1,144 2,151 1,152 1,153 1,158 1,162 4,164 1,167 1,169 1,171 4,173 2,174 1,179 1,180 1,181 1,182 2,185 2,186 1,187 1,193 2,196 2,198 3,199 2,200 1,202 2,203 1,204 2,206 1,208 1,213 220,214 10.491,215 10.491,216 10.491,217 10.491,218 10.491,219 9.74,220 12.874,221 6.532,222 10.622,223 7.865,224 7.865,225 7.865,226 7.865,227 7.865,228 6.744,229 22.066,230 3.038,231 8.082,232 3.779,233 2.095,234 1.352,235 0.927,236 0.765,237 0.765,238 3.449,240 1,241 202,242 1.871,245 93.176,247 0.969,248 7.773,251 1,252 1,253 1,254 1,255 1,256 1,257 1,258 31.5,259 97,260 4.206,261 3.072,262 6.16,263 3.852,264 2.879,265 3.805,266 0.522,267 9.123,268 2.801,269 3.48,270 2.558,271 5.319,272 3.414,273 2.432,274 2.511,275 0.4,276 6.866,277 2.387,278 2.917,279 1.824,280 4.328,281 2.593,282 1.618,283 2.088,285 4.093,286 1.575,287 2.868,288 1.548,289 3.642,290 2.424,291 1.484,292 1.982,294 3.106,295 1.393,296 2.424,297 1.35,298 3.551,299 2.29,300 1.31,301 1.421,302 2.893,303 1.281,304 2,305 1,306 3.247,307 2,308 1,309 1,310 2.136,311 1,312 1.718,313 0.749,314 2.859,315 1.472,316 0.533,317 0.615,318 0.91,319 0.499,320 1.133,321 0.192,322 2.58,323 0.942,329 0.607,330 -0.433,331 2,332 0.342,333 -0.618,334 -0.686,336 -1.26,337 -0.591,338 0.53,339 -0.77,340 1.642,341 0.095,342 -0.864,343 -1,345 -1.952,346 -0.825,348 -1,349 1.555,351 -1,352 -1.114,354 -2.347,355 -1,356 -0.045,357 -1.166,358 1.217,359 -0.238,360 -1.21,361 -1.454,363 -3.066,364 -1.175,365 -0.496,366 -1.379,367 0.903,368 -0.677,369 -1.657,370 -2,372 -4.234,373 -1.624,374 -0.5,375 -1.666,376 0.494,377 -0.972,378 -1.907,379 -2.037,381 -4.789,382 -1.783,383 -0.842,384 -2,385 0.305,386 -1,387 -2,388 -2.133,389 -0.4,390 -5.284,391 -1.938,392 7.2,393 0.188,394 0.013,395 15.75,396 1.05,397 6.5,398 0.433,399 9.25,400 0.617,401 12.141,402 0.809,403 17.4,404 0.512,405 7.885,406 0.526,407 2.678,408 0.179,409 4.72,410 0.315,411 0.056,413 0.208,415 1.182,416 1.369,417 1.057,418 1.173,419 1.174,420 1.113,421 1.045,422 1.325,423 1.113,424 1.239,425 0.868,426 1.191,427 0.844,428 1.088,429 0.961,430 1.059,431 0.567,432 1.028,433 1.025,434 1.01,435 0.997,436 0.995,437 0.814,438 0.994,439 1.163,440 0.794,441 0.98,442 0.832,443 1.175,444 0.879,445 1.052,446 1.093,447 1.115,448 1.124,449 1.133,450 1.125,451 1.123,452 1.047,453 1.161,454 1.116,455 1.458,456 1.138,457 0.921,458 0.712,459 0.905,460 0.805,461 1.291,462 0.846,463 2,465 1.111,466 0.563,467 0.613,468 0.188,469 0.1,470 0.092,471 0.02,473 1620,474 3025,475 2.071,476 55.9,477 6,478 4,480 2,481 3,483 4,485 1.531,486 2,487 2.777,488 1.247,492 1,493 44.489,494 1.308,495 2.993,496 3.735,497 4.161,498 4.323,499 4.323,500 2.149,501 3.64,502 3.882,503 2.831,504 297.269,505 6.505,506 2471.99,508 1,511 172.974,512 1.053,513 3.867,514 0.125,516 0.056,517 0.03,518 0.041,519 0.013,520 0.008,521 0.013,522 0.01,524 0.296,525 1,526 0.781,527 58.617,528 -0.096,529 0.026,530 0.045,531 -0.049,532 0.047,533 -0.084,534 -0.145,535 -0.091,536 -0.12,537 -0.012,538 -0.108,539 0.083,540 -0.094,541 0.012,542 -0.062,543 0.117,544 -0.037,545 0.027,546 -0.061,547 -0.025,548 -0.058,549 0.078,550 -0.048,551 -0.041,552 0.166,553 0.001,554 0.096,555 -0.063,556 0.059,557 -0.123,558 -0.088,559 -0.143,560 -0.122,561 -0.155,562 -0.133,563 -0.153,564 -0.128,565 -0.209,566 -0.186,567 -0.224,568 -0.2,569 -0.053,570 0.021,571 -0.006,572 0.021,573 -0.121,574 0.014,575 0.919,576 1.688,577 0.8,578 7.778,579 0.982,580 1.631,581 0.621,582 2.833,583 3.045,584 3.258,585 3.434,586 3.584,587 3.367,588 3.332,589 3.296,590 3.178,591 2.944,592 4.094,593 0.567,594 205.34,595 2.833,596 4.29,597 5.094,598 5.916,599 6.737,600 7.567,601 8.393,602 9.225,603 10.053,604 10.886,605 1,607 1,612 1,613 3,614 1,616 2,617 6,619 1,622 34,623 6,625 16,626 35,627 12,628 5,632 2,633 2,636 1,638 6,640 6,642 5,643 7,652 1,654 19,655 3,656 3,657 3,659 3,660 1,662 1,665 2,672 1,673 2,676 15,677 1,679 6,680 1,681 1,691 7.5,692 5.617,693 3.528,694 2.244,695 1.2,696 1.212,697 0.957,698 3.701,699 4.796}
{0 CHEMBL557976,1 1.093,2 4,3 8.101,4 1.14,5 2,6 8,7 1.629,8 3.865,9 0.482,10 0.059,11 36,12 0.066,13 4,14 -2.86,15 -2.87,16 -2.77,17 1.291,18 4.818,19 1.196,20 49.473,21 6.01,22 0.545,23 3.263,24 3.429,25 2.619,26 2.759,27 4.282,28 2.693,29 3.743,30 3.972,31 2.815,32 3.071,33 4.64,34 2.958,35 3.938,36 4.215,37 2.834,38 3.13,39 4.751,40 2.991,41 3.87,42 4.13,43 2.675,44 3.051,45 4.767,46 2.89,47 3.891,48 4.191,49 2.314,50 2.949,51 4.673,52 2.721,53 3.762,54 4.116,55 1.665,56 2.628,57 4.407,58 2.304,59 3.32,60 3.74,61 0.663,62 1.931,63 3.807,64 1.519,65 2.195,66 2.648,67 0.062,68 0.835,69 2.303,70 0.485,71 0.043,72 0.354,73 6.115,74 2.144,75 6.059,76 3.359,77 0.069,78 0.509,79 9.678,80 3.371,81 9.991,82 5.296,83 0.086,84 0.562,85 11.529,86 3.851,87 11.876,88 6.159,89 0.111,90 0.529,91 10.912,92 3.611,93 15.016,94 5.723,95 0.088,96 0.48,97 10.78,98 3.621,99 14.042,100 5.755,101 0.069,102 0.354,103 9.04,104 3.147,105 13.243,106 4.932,107 0.055,108 0.181,109 5.546,110 1.726,111 9.565,112 2.821,113 0.013,114 0.042,115 1.56,116 0.529,117 2.016,118 0.836,119 10,120 13,121 0.268,122 0.63,123 0.793,124 0.86,125 0.877,126 0.877,127 2.521,128 1.064,129 1,133 2,141 4,142 1,143 1,151 1,152 1,153 1,162 4,164 1,171 3,173 2,174 1,179 1,180 3,181 1,182 2,183 2,189 1,191 1,196 1,198 1,199 1,213 96,214 7.638,215 7.638,216 7.638,217 7.638,218 7.638,219 6.886,220 11.293,221 4.821,222 7.746,223 5.331,224 5.331,225 5.331,226 5.331,227 5.331,228 4.199,229 17.066,230 2.089,231 5.47,232 3.353,233 1.616,234 0.83,235 0.51,236 0.43,237 0.43,238 3.117,241 101,242 2,245 34.943,247 0.777,248 4.931,251 1,252 0.83,253 0.83,254 1,255 1,256 1,257 0.95,258 23,259 53,260 4.191,261 3.03,262 6.129,263 3.817,264 2.835,265 3.8,266 0.522,267 8.976,268 2.784,269 2.948,270 1.988,271 4.401,272 2.645,273 1.683,274 2.108,275 0.4,276 4.278,277 1.617,278 2.917,279 1.559,280 3.631,281 2.473,282 1.48,283 2.069,285 3.06,286 1.469,287 2.166,288 1.12,289 3.107,290 1.97,291 1,292 1.132,294 1.757,295 0.968,296 1.657,297 0.734,298 2.658,299 1.452,300 0.499,301 0.564,302 0.748,303 0.474,304 0.946,305 -0.057,306 2,307 0.721,308 -0.237,309 -0.264,310 -0.363,311 -0.226,312 0.579,313 -0.627,314 1.803,315 0.176,316 -0.804,317 -0.976,318 -1.486,319 -0.787,320 0.286,321 -0.933,322 1.233,323 -0.017,324 -1,325 -1.311,327 -2.134,328 -0.982,329 -0.477,330 -1.379,331 0.494,332 -0.667,333 -1.648,334 -2.033,336 -4.196,337 -1.611,338 -0.5,339 -1.555,340 0.319,341 -0.871,342 -1.809,343 -2.088,344 -0.4,345 -4.613,346 -1.705,347 -0.712,348 -2,349 0.226,350 -1,351 -2,352 -3,353 -0.522,354 -6.028,355 -2,392 5.3,393 0.119,394 0.011,395 12.75,396 1.159,397 6.5,398 0.591,399 6.25,400 0.568,401 6.559,402 0.596,403 12.7,404 0.508,405 6.657,406 0.605,407 2.66,408 0.242,409 2.721,410 0.247,411 0.17,413 0.189,415 1.388,416 1.257,417 1.107,418 1.101,419 1.463,420 1.082,421 1.149,422 1.184,423 1.066,424 1.1,425 0.988,426 1.079,427 1.003,428 1.059,429 0.897,430 0.946,431 0.656,432 0.917,433 1.124,434 1.194,435 1.21,436 1.227,437 0.963,438 1.226,439 1.139,440 1.082,441 1.211,442 1.168,443 1.248,444 1.192,445 0.709,446 0.902,447 0.975,448 1.014,449 1.03,450 1.018,451 0.76,452 0.404,453 0.636,454 0.488,455 1.134,456 0.541,463 1.5,465 1.111,466 0.5,467 0.382,468 0.208,469 0.04,473 553,474 1184,475 1.898,476 56,478 8,481 3,483 3,485 1.43,486 1.784,487 2.403,488 1.486,493 32.264,494 1.291,495 3.028,496 3.814,497 4.134,498 4.214,499 4.214,500 1.868,501 3.278,502 3.428,503 2.418,504 132.981,505 5.604,506 885.506,508 1,511 116.096,512 1.309,513 3.391,514 0.136,516 0.085,517 0.038,518 0.038,519 0.035,520 0.02,524 0.353,525 1,526 1.523,527 36.694,528 -0.172,529 -0.022,530 0.063,531 -0.273,532 0.038,533 -0.104,534 -0.043,535 -0.047,536 -0.03,537 -0.089,538 -0.033,539 0.001,540 -0.049,541 0.086,542 0.044,543 0.078,544 0.068,545 0.021,546 -0.132,547 -0.212,548 -0.239,549 0.043,550 -0.245,551 -0.183,552 -0.14,553 -0.265,554 -0.227,555 -0.177,556 -0.249,557 -0.015,558 -0.132,559 -0.094,560 -0.135,561 -0.049,562 -0.124,563 0.041,564 0.201,565 0.215,566 0.257,567 -0.043,568 0.253,569 0.415,570 0.406,571 0.779,572 0.7,573 0.465,574 0.761,575 0.9,576 1.541,577 0.545,578 4.975,579 0.98,580 2.654,581 0.623,582 2.485,583 2.639,584 2.833,585 2.944,586 2.944,587 2.485,588 2.079,589 1.609,590 1.099,591 0.693,592 3.197,593 0.568,594 150.25,595 2.485,596 3.892,597 4.673,598 5.476,599 6.282,600 7.094,601 7.905,602 8.719,603 9.531,604 10.344,605 1,607 1,613 4,616 2,617 6,619 1,622 25,623 6,624 1,625 11,626 25,627 9,628 6,629 2,630 4,632 1,633 1,636 2,642 6,643 3,654 14,655 2,656 3,657 2,659 2,660 1,665 1,672 1,673 1,674 1,676 11,677 1,679 2,680 1,691 6.167,692 4.417,693 2.778,694 1.542,695 1.244,696 1.263,697 0.937,698 3.08,699 4}
{0 CHEMBL559376,1 2.752,2 7,3 5.998,4 1.138,5 16,6 6.8,7 2.318,8 3.89,9 0.484,10 0.073,11 36.4,12 -0.08,13 6,14 -3.55,15 -3.52,16 -3.36,17 1.258,18 5.895,19 7.572,20 79.628,21 5.896,22 0.286,23 3.846,24 4.001,25 3.224,26 3.367,27 4.689,28 3.296,29 4.469,30 4.688,31 3.551,32 3.812,33 5.19,34 3.696,35 4.8,36 5.091,37 3.54,38 3.923,39 5.414,40 3.753,41 4.746,42 5.029,43 3.639,44 3.952,45 5.42,46 3.813,47 4.837,48 5.074,49 3.744,50 4.133,51 5.573,52 3.98,53 5.072,54 5.364,55 3.561,56 4.166,57 5.725,58 3.943,59 5.007,60 5.368,61 2.84,62 3.825,63 5.587,64 3.495,65 4.447,66 4.875,67 1.366,68 2.985,69 4.875,70 2.51,71 0.063,72 0.654,73 11.263,74 4.243,75 7.368,76 6.476,77 0.133,78 1.086,79 20.435,80 7.32,81 11.989,82 11.383,83 0.233,84 1.304,85 27.34,86 9.205,87 16.79,88 14.59,89 0.226,90 1.284,91 26.073,92 9.098,93 18.764,94 14.172,95 0.207,96 1.496,97 29.042,98 11.099,99 20.069,100 16.715,101 0.244,102 1.652,103 35.373,104 12.784,105 24.308,106 19.763,107 0.265,108 1.288,109 31.652,110 10.52,111 28.888,112 16.787,113 0.152,114 0.59,115 16.935,116 5.574,117 17.854,118 8.91,119 3,120 28,121 0.224,122 0.482,123 0.608,124 0.681,125 0.681,126 0.681,127 3.013,128 1.116,130 8,133 1,134 2,141 1,142 1,143 1,144 2,151 1,152 1,153 1,158 6,162 1,164 1,166 1,167 6,171 1,174 1,177 1,178 1,182 8,185 4,186 1,187 1,193 4,196 4,198 8,199 4,202 4,204 4,213 452,214 13.405,215 13.405,216 13.405,217 13.405,218 13.405,219 12.679,220 16.229,221 8.167,222 13.575,223 10.336,224 10.336,225 10.336,226 10.336,227 10.336,228 9.24,229 26.709,230 3.77,231 10.635,232 4.201,233 2.754,234 2.045,235 1.636,236 1.636,237 1.636,238 3.689,239 1,240 1,241 240,242 2.449,244 101.551,245 62.314,247 0.776,248 8.222,250 1,251 1,252 1,253 1,254 1,255 1,256 1,257 1,258 39.5,259 112,260 4.379,261 3.445,262 6.89,263 4.153,264 3.204,265 3.887,266 0.8,267 11.556,268 3.043,269 3.781,270 2.76,271 5.887,272 3.565,273 2.582,274 2.905,275 0.522,276 8.117,277 2.536,278 3.303,279 2.347,280 5.262,281 3.293,282 2.303,283 2.303,285 6.449,286 2.279,287 2.917,288 1.854,289 4.546,290 2.661,291 1.683,292 2.088,294 4.381,295 1.642,296 2.883,297 1.566,298 3.838,299 2.422,300 1.488,301 1.984,302 3.169,303 1.386,304 2.383,305 1.237,306 3.593,307 2.168,308 1.187,309 1.371,310 2.746,311 1.163,312 2,313 1.049,314 3.34,315 1.989,316 1,317 1,318 2.249,319 0.988,320 1.695,321 0.743,322 3,323 1.618,324 0.618,325 0.618,327 1.372,328 0.618,329 1.618,330 0.618,331 3,332 1.618,333 0.618,334 0.618,336 1.372,337 0.618,338 1.618,339 0.618,340 2.974,341 1.467,342 0.526,343 0.6,345 0.932,346 0.494,347 1.198,348 0.232,349 2.666,350 1.056,351 0.099,352 0.106,354 0.215,355 0.094,356 0.62,357 -0.46,358 2.118,359 0.276,360 -0.678,361 -0.806,363 -1.43,364 -0.645,365 0.531,366 -0.842,367 2,368 0.044,369 -0.906,370 -1.247,372 -2.192,373 -0.858,374 -0.303,375 -1.136,376 2,377 -0.335,378 -1.303,379 -1.303,381 -2.936,382 -1.251,383 -0.438,384 -1.378,385 1.272,386 -0.581,387 -1.564,388 -1.618,390 -3.481,391 -1.525,392 9.2,393 0.274,394 0.014,395 18.5,396 0.974,397 6.5,398 0.342,399 12,400 0.632,401 19.493,402 1.026,403 22,404 0.5,405 9.357,406 0.492,407 2.778,408 0.146,409 6.621,410 0.348,411 0.043,413 0.261,415 1.092,416 1.426,417 1.056,418 1.222,419 1.108,420 1.15,421 1.162,422 1.33,423 1.118,424 1.208,425 0.827,426 1.167,427 1.085,428 1.065,429 0.99,430 1.002,431 0.517,432 0.991,433 1.116,434 0.835,435 0.886,436 0.804,437 0.739,438 0.823,439 0.976,440 1.206,441 1.199,442 1.257,443 1.045,444 1.248,445 0.995,446 1.189,447 1.182,448 1.232,449 1.132,450 1.224,451 1.052,452 0.88,453 1.023,454 0.948,455 1.443,456 0.977,457 0.75,458 0.432,459 0.633,460 0.509,461 1.302,462 0.553,463 2,465 1.778,466 1.181,467 0.802,468 0.396,469 0.248,470 0.111,473 2905,474 4780,475 2.145,476 56.8,477 8,478 5,480 2,481 2,483 8,485 1.615,486 2.073,487 2.605,488 0.29,490 1,492 1,493 55.364,494 1.258,495 2.705,496 3.414,497 3.823,498 3.823,499 3.823,500 1.871,501 3.301,502 4.223,503 2.721,504 465.313,505 7.25,506 4668.92,508 1,510 1,511 240.215,512 1.105,513 4.207,514 0.095,516 0.063,517 0.045,518 0.026,519 0.012,520 0.01,521 0.014,524 0.266,525 0.83,526 0.671,527 79.762,528 0.001,529 0.063,530 0.011,531 0.021,532 0.037,533 -0.057,534 -0.141,535 -0.056,536 -0.096,537 0.002,538 -0.08,539 0.046,540 -0.054,541 0.011,542 -0.028,543 0.108,544 -0.014,545 0.016,546 0.211,547 0.128,548 0.196,549 0.09,550 0.175,551 -0.055,552 -0.071,553 -0.173,554 -0.154,555 -0.059,556 -0.17,557 -0.103,558 -0.202,559 -0.211,560 -0.234,561 -0.122,562 -0.231,563 -0.094,564 -0.063,565 -0.105,566 -0.088,567 -0.142,568 -0.096,569 0.05,570 0.198,571 0.211,572 0.245,573 -0.063,574 0.241,575 0.881,576 1.931,577 0.842,578 10.199,579 0.978,580 5.374,581 0.623,582 3.091,583 3.367,584 3.689,585 3.989,586 4.078,587 4.143,588 4.159,589 4.025,590 3.761,591 3.367,592 4.149,593 0.565,594 259.44,595 3.091,596 4.595,597 5.451,598 6.326,599 7.206,600 8.092,601 8.979,602 9.868,603 10.757,604 11.648,605 1,608 1,612 1,613 3,614 1,616 2,617 6,620 1,622 44,623 6,625 21,626 46,627 16,628 5,632 3,633 3,636 1,638 10,640 10,642 5,643 11,651 1,652 1,654 25,655 3,656 2,657 3,659 3,660 1,662 1,664 2,665 1,672 1,673 3,676 19,677 1,679 9,681 2,682 1,691 9.167,692 7.4,693 4.361,694 3.115,695 1.089,696 1.175,697 0.966,698 4.145,699 4}