@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2094

@attribute molecule_id {CHEMBL1163419,CHEMBL1253351,CHEMBL129841,CHEMBL131890,CHEMBL132722,CHEMBL133463,CHEMBL14249,CHEMBL14830,CHEMBL1628528,CHEMBL190141,CHEMBL216504,CHEMBL2180136,CHEMBL2180137,CHEMBL2180138,CHEMBL2180149,CHEMBL2180160,CHEMBL2180171,CHEMBL2180174,CHEMBL335206,CHEMBL336208,CHEMBL339385,CHEMBL339386,CHEMBL494161,CHEMBL526307,CHEMBL599760,CHEMBL605325}
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP 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 BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.007 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.011 numeric
@attribute C.012 numeric
@attribute C.016 numeric
@attribute C.019 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.030 numeric
@attribute C.032 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.038 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute C.043 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AN numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_NN numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AN numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_DN numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AN numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DN numeric
@attribute CATS2D_04_DP numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_NN numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_04_PP numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DN numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL numeric
@attribute CATS2D_05_NN numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AN numeric
@attribute CATS2D_06_AP numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DN numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_06_NN numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_DN numeric
@attribute CATS2D_07_DP numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AN numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DN numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NL numeric
@attribute CATS2D_08_NN numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AN numeric
@attribute CATS2D_09_AP numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_DN numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL 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 cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr03 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr08 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute DECC numeric
@attribute DELS 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_07 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.dm. 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.dm. 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.dm. 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.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_alpha_A 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 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.80 numeric
@attribute I.099 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.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 LLS_02 numeric
@attribute LOC numeric
@attribute LPRS numeric
@attribute MATS1e numeric
@attribute MATS1i 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 Mi numeric
@attribute MLOGP 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. numeric
@attribute N.068 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 N.076 numeric
@attribute N.077 numeric
@attribute NaaaC numeric
@attribute NaaCH numeric
@attribute NaaN numeric
@attribute NaaNH numeric
@attribute NaaO numeric
@attribute NaaS numeric
@attribute NaasC numeric
@attribute NaasN numeric
@attribute nAB numeric
@attribute nArCONHR numeric
@attribute nArCOOR numeric
@attribute nArNH2 numeric
@attribute nArNHR numeric
@attribute nArNR2 numeric
@attribute nArOCON numeric
@attribute nArOR numeric
@attribute nArX 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 nCONN numeric
@attribute nCp numeric
@attribute nCrs numeric
@attribute nCrt numeric
@attribute nCs numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nCt numeric
@attribute nDB numeric
@attribute NddsN numeric
@attribute NddssS numeric
@attribute NdO numeric
@attribute NdS numeric
@attribute NdsCH numeric
@attribute NdsN numeric
@attribute NdssC numeric
@attribute NdsssP numeric
@attribute Neoplastic.80 numeric
@attribute nH numeric
@attribute nHAcc numeric
@attribute nHDon numeric
@attribute nHet numeric
@attribute nHM numeric
@attribute nI numeric
@attribute nImidazoles numeric
@attribute nN numeric
@attribute nN.C.N. numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nOHp numeric
@attribute nOHs numeric
@attribute nOHt numeric
@attribute nOxazoles numeric
@attribute nOxolanes numeric
@attribute nP numeric
@attribute nPO4 numeric
@attribute nP..O.O2R numeric
@attribute nPyrazoles numeric
@attribute nPyrimidines numeric
@attribute nR03 numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR08 numeric
@attribute nR09 numeric
@attribute nR10 numeric
@attribute nRCONHR numeric
@attribute nRCONR2 numeric
@attribute nR.Cs numeric
@attribute nRNO2 numeric
@attribute nRNR2 numeric
@attribute nROH numeric
@attribute nROR numeric
@attribute NRS numeric
@attribute nRSR numeric
@attribute nS numeric
@attribute NsCH3 numeric
@attribute NsI numeric
@attribute nSK numeric
@attribute NsNH2 numeric
@attribute nSO2N numeric
@attribute nSO2OH numeric
@attribute NsOH numeric
@attribute NssCH2 numeric
@attribute NsSH numeric
@attribute NssNH numeric
@attribute NssO numeric
@attribute NssS numeric
@attribute NsssCH numeric
@attribute NsssN numeric
@attribute NssssC numeric
@attribute nThiazoles numeric
@attribute nThiophenes numeric
@attribute nX numeric
@attribute O. numeric
@attribute O.056 numeric
@attribute O.058 numeric
@attribute O.059 numeric
@attribute O.060 numeric
@attribute O.061 numeric
@attribute O.062 numeric
@attribute ON0 numeric
@attribute ON0V numeric
@attribute ON1 numeric
@attribute ON1V numeric
@attribute P.117 numeric
@attribute P.120 numeric
@attribute PCD numeric
@attribute PCR numeric
@attribute PDI numeric
@attribute PHI numeric
@attribute piID numeric
@attribute piPC01 numeric
@attribute piPC02 numeric
@attribute piPC03 numeric
@attribute piPC04 numeric
@attribute piPC05 numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute PJI2 numeric
@attribute Pol numeric
@attribute Psi_e_0 numeric
@attribute Psi_e_1 numeric
@attribute Psi_e_A numeric
@attribute Psi_i_0 numeric
@attribute Psi_i_1 numeric
@attribute Psi_i_A numeric
@attribute Psi_i_s numeric
@attribute Psi_i_t numeric
@attribute Psychotic.80 numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_e_2 numeric
@attribute P_VSA_e_3 numeric
@attribute P_VSA_e_5 numeric
@attribute P_VSA_i_1 numeric
@attribute P_VSA_i_2 numeric
@attribute P_VSA_i_3 numeric
@attribute P_VSA_i_4 numeric
@attribute P_VSA_LogP_1 numeric
@attribute P_VSA_LogP_2 numeric
@attribute P_VSA_LogP_3 numeric
@attribute P_VSA_LogP_4 numeric
@attribute P_VSA_LogP_5 numeric
@attribute P_VSA_LogP_6 numeric
@attribute P_VSA_LogP_7 numeric
@attribute P_VSA_LogP_8 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_m_2 numeric
@attribute P_VSA_m_3 numeric
@attribute P_VSA_m_4 numeric
@attribute P_VSA_m_5 numeric
@attribute P_VSA_MR_1 numeric
@attribute P_VSA_MR_2 numeric
@attribute P_VSA_MR_3 numeric
@attribute P_VSA_MR_5 numeric
@attribute P_VSA_MR_6 numeric
@attribute P_VSA_MR_7 numeric
@attribute P_VSA_MR_8 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_p_4 numeric
@attribute P_VSA_s_1 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_s_3 numeric
@attribute P_VSA_s_4 numeric
@attribute P_VSA_s_5 numeric
@attribute P_VSA_s_6 numeric
@attribute P_VSA_v_1 numeric
@attribute P_VSA_v_2 numeric
@attribute P_VSA_v_3 numeric
@attribute P_VSA_v_4 numeric
@attribute PW2 numeric
@attribute PW3 numeric
@attribute PW4 numeric
@attribute PW5 numeric
@attribute Qindex numeric
@attribute Ram numeric
@attribute RBF numeric
@attribute RBN numeric
@attribute Rbrid numeric
@attribute RCI numeric
@attribute RDCHI numeric
@attribute RDSQ numeric
@attribute RFD numeric
@attribute Rperim numeric
@attribute S0K numeric
@attribute S.106 numeric
@attribute S.107 numeric
@attribute S.108 numeric
@attribute S.110 numeric
@attribute S1K numeric
@attribute S2K numeric
@attribute S3K numeric
@attribute SaaaC numeric
@attribute SAacc numeric
@attribute SaaCH numeric
@attribute SaaN numeric
@attribute SaaNH numeric
@attribute SaaO numeric
@attribute SaaS numeric
@attribute SaasC numeric
@attribute SaasN numeric
@attribute SAdon numeric
@attribute SAtot numeric
@attribute SCBO numeric
@attribute SddsN numeric
@attribute SddssS numeric
@attribute SdO numeric
@attribute SdS numeric
@attribute SdsCH numeric
@attribute SdsN numeric
@attribute SdssC numeric
@attribute SdsssP numeric
@attribute Se numeric
@attribute Si numeric
@attribute SIC0 numeric
@attribute SIC1 numeric
@attribute SIC2 numeric
@attribute SIC3 numeric
@attribute SIC4 numeric
@attribute SIC5 numeric
@attribute SM02_AEA.bo. numeric
@attribute SM02_AEA.dm. numeric
@attribute SM02_AEA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute SM02_EA numeric
@attribute SM02_EA.bo. numeric
@attribute SM02_EA.dm. numeric
@attribute SM02_EA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SM03_AEA.bo. numeric
@attribute SM03_AEA.dm. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute SM03_EA numeric
@attribute SM03_EA.bo. numeric
@attribute SM03_EA.dm. numeric
@attribute SM03_EA.ed. numeric
@attribute SM03_EA.ri. numeric
@attribute SM04_AEA.bo. numeric
@attribute SM04_AEA.dm. numeric
@attribute SM04_AEA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute SM04_EA numeric
@attribute SM04_EA.bo. numeric
@attribute SM04_EA.dm. numeric
@attribute SM04_EA.ed. numeric
@attribute SM04_EA.ri. numeric
@attribute SM05_AEA.bo. numeric
@attribute SM05_AEA.dm. numeric
@attribute SM05_AEA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute SM05_EA numeric
@attribute SM05_EA.bo. numeric
@attribute SM05_EA.dm. numeric
@attribute SM05_EA.ed. numeric
@attribute SM05_EA.ri. numeric
@attribute SM06_AEA.bo. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM06_AEA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute SM06_EA numeric
@attribute SM06_EA.bo. numeric
@attribute SM06_EA.dm. numeric
@attribute SM06_EA.ed. numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_AEA.bo. numeric
@attribute SM07_AEA.dm. numeric
@attribute SM07_AEA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute SM07_EA numeric
@attribute SM07_EA.bo. numeric
@attribute SM07_EA.dm. numeric
@attribute SM07_EA.ed. numeric
@attribute SM07_EA.ri. numeric
@attribute SM08_AEA.bo. numeric
@attribute SM08_AEA.dm. numeric
@attribute SM08_AEA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute SM08_EA numeric
@attribute SM08_EA.bo. numeric
@attribute SM08_EA.dm. numeric
@attribute SM08_EA.ed. numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_AEA.bo. numeric
@attribute SM09_AEA.dm. numeric
@attribute SM09_AEA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SM09_EA numeric
@attribute SM09_EA.bo. numeric
@attribute SM09_EA.dm. numeric
@attribute SM09_EA.ed. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_AEA.bo. numeric
@attribute SM10_AEA.dm. numeric
@attribute SM10_AEA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.bo. numeric
@attribute SM10_EA.dm. numeric
@attribute SM10_EA.ed. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_AEA.bo. numeric
@attribute SM11_AEA.dm. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_AEA.ri. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.bo. numeric
@attribute SM11_EA.dm. numeric
@attribute SM11_EA.ed. numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_AEA.bo. numeric
@attribute SM12_AEA.dm. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_AEA.ri. numeric
@attribute SM12_EA numeric
@attribute SM12_EA.bo. numeric
@attribute SM12_EA.dm. numeric
@attribute SM12_EA.ed. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_AEA.bo. numeric
@attribute SM13_AEA.dm. numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_AEA.ri. numeric
@attribute SM13_EA numeric
@attribute SM13_EA.bo. numeric
@attribute SM13_EA.dm. numeric
@attribute SM13_EA.ed. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_AEA.bo. numeric
@attribute SM14_AEA.dm. numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_AEA.ri. numeric
@attribute SM14_EA numeric
@attribute SM14_EA.bo. numeric
@attribute SM14_EA.dm. numeric
@attribute SM14_EA.ed. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_AEA.bo. numeric
@attribute SM15_AEA.dm. numeric
@attribute SM15_AEA.ed. numeric
@attribute SM15_AEA.ri. numeric
@attribute SM15_EA numeric
@attribute SM15_EA.bo. numeric
@attribute SM15_EA.dm. numeric
@attribute SM15_EA.ed. numeric
@attribute SM15_EA.ri. numeric
@attribute SMTI numeric
@attribute SMTIV numeric
@attribute SNar numeric
@attribute Sp numeric
@attribute SpAD_AEA.bo. numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpAD_AEA.ed. numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpAD_EA numeric
@attribute SpAD_EA.bo. numeric
@attribute SpAD_EA.dm. numeric
@attribute SpAD_EA.ed. numeric
@attribute SpAD_EA.ri. numeric
@attribute SpDiam_AEA.bo. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpDiam_AEA.ed. numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SpDiam_EA numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpDiam_EA.ed. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SPI numeric
@attribute SpMAD_AEA.bo. numeric
@attribute SpMAD_AEA.dm. numeric
@attribute SpMAD_AEA.ed. numeric
@attribute SpMAD_AEA.ri. numeric
@attribute SpMAD_EA numeric
@attribute SpMAD_EA.bo. numeric
@attribute SpMAD_EA.dm. numeric
@attribute SpMAD_EA.ed. numeric
@attribute SpMAD_EA.ri. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax1_Bh.m. numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SpMax1_Bh.v. numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMax2_Bh.i. numeric
@attribute SpMax2_Bh.m. numeric
@attribute SpMax2_Bh.p. numeric
@attribute SpMax2_Bh.s. numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.s. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.m. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax6_Bh.m. numeric
@attribute SpMax6_Bh.p. numeric
@attribute SpMax6_Bh.s. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMax7_Bh.p. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SpMax7_Bh.v. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMax8_Bh.m. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMax_EA numeric
@attribute SpMax_EA.bo. numeric
@attribute SpMax_EA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute SpMax_EA.ri. numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.m. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin1_Bh.s. numeric
@attribute SpMin1_Bh.v. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMin2_Bh.i. numeric
@attribute SpMin2_Bh.m. numeric
@attribute SpMin2_Bh.p. numeric
@attribute SpMin2_Bh.s. numeric
@attribute SpMin2_Bh.v. numeric
@attribute SpMin3_Bh.e. numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMin4_Bh.p. numeric
@attribute SpMin4_Bh.s. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMin5_Bh.m. numeric
@attribute SpMin5_Bh.p. numeric
@attribute SpMin5_Bh.s. numeric
@attribute SpMin5_Bh.v. numeric
@attribute SpMin6_Bh.e. numeric
@attribute SpMin6_Bh.i. numeric
@attribute SpMin6_Bh.m. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin6_Bh.v. numeric
@attribute SpMin7_Bh.e. numeric
@attribute SpMin7_Bh.i. numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMin7_Bh.p. numeric
@attribute SpMin7_Bh.s. numeric
@attribute SpMin7_Bh.v. numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.s. numeric
@attribute SpMin8_Bh.v. numeric
@attribute SRW02 numeric
@attribute SRW03 numeric
@attribute SRW04 numeric
@attribute SRW05 numeric
@attribute SRW06 numeric
@attribute SRW07 numeric
@attribute SRW08 numeric
@attribute SRW09 numeric
@attribute SRW10 numeric
@attribute SsCH3 numeric
@attribute SsI numeric
@attribute SsNH2 numeric
@attribute SsOH numeric
@attribute SssCH2 numeric
@attribute SsSH numeric
@attribute SssNH numeric
@attribute SssO numeric
@attribute SssS numeric
@attribute SsssCH numeric
@attribute SsssN numeric
@attribute SssssC numeric
@attribute Sv numeric
@attribute TIC0 numeric
@attribute TIC1 numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute TIE numeric
@attribute TPC numeric
@attribute TPSA.NO. numeric
@attribute TPSA.Tot. numeric
@attribute TRS numeric
@attribute TWC numeric
@attribute Uc numeric
@attribute Ui numeric
@attribute Uindex numeric
@attribute UNIP numeric
@attribute VAR numeric
@attribute Vindex numeric
@attribute VvdwMG numeric
@attribute VvdwZAZ numeric
@attribute Vx numeric
@attribute Wap numeric
@attribute X. numeric
@attribute X0 numeric
@attribute X0A numeric
@attribute X0Av numeric
@attribute X0sol numeric
@attribute X0v numeric
@attribute X1 numeric
@attribute X1A numeric
@attribute X1Av numeric
@attribute X1Kup numeric
@attribute X1Mad numeric
@attribute X1MulPer numeric
@attribute X1Per numeric
@attribute X1sol numeric
@attribute X1v numeric
@attribute X2 numeric
@attribute X2A numeric
@attribute X2Av numeric
@attribute X2sol numeric
@attribute X2v numeric
@attribute X3 numeric
@attribute X3A numeric
@attribute X3Av numeric
@attribute X3sol numeric
@attribute X3v numeric
@attribute X4 numeric
@attribute X4A numeric
@attribute X4Av numeric
@attribute X4sol numeric
@attribute X4v numeric
@attribute X5 numeric
@attribute X5A numeric
@attribute X5Av numeric
@attribute X5sol numeric
@attribute X5v numeric
@attribute Xindex numeric
@attribute XMOD numeric
@attribute Xt numeric
@attribute Xu numeric
@attribute Yindex numeric
@attribute ZM1 numeric
@attribute ZM1Kup numeric
@attribute ZM1Mad numeric
@attribute ZM1MulPer numeric
@attribute ZM1Per numeric
@attribute ZM1V numeric
@attribute ZM2 numeric
@attribute ZM2Kup numeric
@attribute ZM2Mad numeric
@attribute ZM2MulPer numeric
@attribute ZM2Per numeric
@attribute ZM2V numeric
@attribute pXC50 numeric

@data
{1 2.124,2 12.761,3 -6.515,4 42.445,5 139.501,6 11.57,7 0.2,8 4.354,9 4.409,10 4.495,11 3.743,12 5.725,13 3.808,14 4.939,15 4.968,16 4.823,17 4.169,18 6.883,19 4.224,20 5.107,21 5.198,22 4.917,23 4.28,24 6.48,25 4.353,26 5.327,27 5.397,28 5.006,29 4.349,30 7.227,31 4.438,32 5.287,33 5.398,34 4.949,35 4.361,36 6.758,37 4.428,38 5.379,39 5.458,40 5.014,41 4.334,42 7.411,43 4.437,44 5.281,45 5.395,46 4.847,47 4.316,48 6.833,49 4.356,50 5.226,51 5.337,52 4.908,53 4.324,54 6.801,55 4.36,56 1.269,57 0.925,58 9.785,59 6.979,60 159.228,61 2.807,62 2.597,63 1.398,64 19.428,65 12.612,66 303.099,67 6.008,68 2.991,69 1.604,70 24.145,71 13.132,72 333.384,73 6.915,74 4.097,75 1.71,76 32.826,77 15.493,78 515.22,79 8.891,80 3.436,81 1.72,82 29.307,83 14.322,84 447.919,85 8.994,86 4.442,87 1.655,88 36.35,89 15.187,90 726.175,91 10.224,92 3.677,93 1.637,94 31.266,95 13.988,96 450.875,97 8.889,98 3.524,99 1.655,100 32.222,101 14.054,102 455.849,103 8.586,104 219,105 80,106 0.334,107 0.721,108 0.811,109 0.86,110 0.876,111 0.876,112 3.854,113 0.973,114 -3.7,115 -3.67,116 -3.49,117 25.8,122 1,124 3,125 1,127 1,128 2,129 2,134 1,135 1,136 1,141 1,144 1,145 1,146 1,147 1,148 1,149 5,150 9,151 4,153 14,154 4,155 1,156 1,157 11,158 1,160 1,162 2,163 10,164 10,165 7,166 1,167 1,170 5,172 2,173 22,174 2,175 1,176 2,177 11,178 3,184 1,187 18,188 4,189 6,191 1,194 3,199 21,200 4,201 9,202 1,203 7,204 2,211 19,212 2,213 1,214 1,215 4,223 13,224 4,225 7,226 1,227 2,233 2,236 25,237 4,238 7,239 1,240 9,242 2,247 4730,248 28.72,249 28.72,250 28.72,251 28.72,252 28.72,253 25.478,254 27.615,255 15.799,256 29.402,257 24.657,258 24.657,259 24.657,260 24.657,261 24.657,262 19.65,263 32.169,264 7.442,265 25.826,266 3.83,267 1.369,268 0.799,269 0.484,270 0.387,271 0.387,272 4.538,276 1237,277 6.285,279 312.936,280 275.338,281 176.265,282 185.173,284 1.716,285 137.028,287 0.25,288 0.33,289 0.33,290 0.1,292 0.33,293 0.5,294 0.26,295 114,296 587,297 4.887,298 4.431,299 8.062,300 4.703,301 3.727,302 4.581,303 2.717,304 15.655,305 3.641,306 4.679,307 3.757,308 7.058,309 4.437,310 3.439,311 4.337,312 2.628,313 12.198,314 3.433,315 4.639,316 3.676,317 6.962,318 4.206,319 3.277,320 4.038,321 2.402,322 11.806,323 3.104,324 4.392,325 3.512,326 6.61,327 4.109,328 3.116,329 3.799,330 1.808,331 10.566,332 3.034,333 4.252,334 3.453,335 6.581,336 3.94,337 2.996,338 3.731,339 1.041,340 10.449,341 2.817,342 4.117,343 3.422,344 6.092,345 3.732,346 2.735,347 3.666,348 0.532,349 8.975,350 2.726,351 4.078,352 3.153,353 6.072,354 3.619,355 2.653,356 3.392,357 0.252,358 8.326,359 2.558,360 4.07,361 3.09,362 5.967,363 3.453,364 2.491,365 3.352,367 8.086,368 2.393,369 3.71,370 2.755,371 5.919,372 3.323,373 2.397,374 3.055,376 8.009,377 2.212,378 3.544,379 2.607,380 5.366,381 3.024,382 2.072,383 2.752,385 6.336,386 1.972,387 3.069,388 2.302,389 5.241,390 2.814,391 1.879,392 2.324,394 5.754,395 1.746,396 3.041,397 2.048,398 4.835,399 2.473,400 1.564,401 2.129,403 4.759,404 1.414,405 2.892,406 1.924,407 4.28,408 2.443,409 1.537,410 1.882,412 3.674,413 1.389,414 2.837,415 1.745,416 4.088,417 2.279,418 1.286,419 1.716,421 3.271,422 1.274,423 2.657,424 1.572,425 3.936,426 2,427 1.089,428 1.641,429 3.097,430 1,431 20.533,432 0.446,433 2.11,434 0.046,435 59.5,436 1.293,437 25,438 0.543,439 34.5,440 0.75,441 46.047,442 1.001,443 54.167,444 0.874,445 70.618,446 1.535,447 11.618,448 0.253,449 9.616,450 0.209,451 0.231,452 0.17,453 0.321,454 1.106,455 1.666,456 0.737,457 1.844,458 0.914,459 0.949,460 0.567,461 1.005,462 0.677,463 0.716,464 0.372,465 0.846,466 1.142,467 1.31,468 0.916,469 1.27,470 0.791,471 1.094,472 0.795,473 0.92,474 0.915,475 0.769,476 0.723,477 1.007,478 1.011,479 1.046,480 0.949,481 0.978,482 0.99,483 1.104,484 0.806,485 0.941,486 0.944,487 0.863,488 0.763,489 1.046,490 1.004,491 0.896,492 1.023,493 0.72,494 0.966,495 1.004,496 1.104,497 1.153,498 1.063,499 1.063,500 1.069,501 1.047,502 16,503 0.841,504 7.111,505 5.931,506 3.894,507 3.39,508 1.647,509 1.45,510 1.242,511 1.164,512 31301,513 170876,514 1.946,515 25.8,517 7,518 1,519 2,520 6,524 1.842,525 1.725,526 3.554,527 3.202,532 131.695,533 2.124,534 4.585,535 5.156,536 5.47,537 5.567,538 5.567,539 2.975,540 4.942,541 5.492,542 3.824,543 3957.94,544 9.802,545 71878.4,549 369.16,550 1.873,551 5.378,552 0.32,553 0.01,554 0.089,555 0.072,556 0.041,557 0.039,558 0.018,559 0.018,560 0.015,561 0.013,562 0.635,563 0.17,564 0.63,565 1.669,566 264.147,567 -0.301,568 -0.263,569 0.237,570 -0.359,571 -0.225,572 0.007,573 0.361,574 0.13,575 0.034,576 0.195,577 0.377,578 0.005,579 -0.265,580 -0.174,581 0.015,582 -0.207,583 -0.125,584 -0.07,585 0.188,586 0.05,587 -0.074,588 0.048,589 0.176,590 -0.068,591 -0.122,592 -0.008,593 -0.033,594 -0.09,595 -0.168,596 -0.072,597 0.209,598 -0.025,599 -0.026,600 -0.028,601 0.293,602 -0.049,603 -0.064,604 0.055,605 -0.084,606 0.104,607 -0.143,608 0.034,609 -0.17,610 -0.133,611 -0.033,612 -0.036,613 -0.191,614 0.024,615 6.747,616 5.373,617 0.478,618 55.276,619 1.102,620 1.152,621 2.473,622 6.115,623 0.676,624 3.932,625 4.394,626 4.644,627 5.037,628 5.273,629 5.565,630 5.778,631 6.006,632 6.209,633 6.407,634 7.999,635 0.7,636 717.31,637 3.932,638 5.565,639 6.441,640 7.402,641 8.308,642 9.274,643 10.196,644 11.165,645 12.097,646 13.068,647 12.9,649 1,653 1,655 3,656 1,657 2,658 2,659 2,660 3,664 1,665 1,666 10,669 1,675 62,676 21,678 50,679 66,680 16,681 5,684 5,685 5,686 7,689 4,691 4,692 10,693 6,695 11,696 3,698 8,700 2,702 3,703 3,705 16,706 23,707 6,708 30,709 3,711 1,712 8,714 0.4,715 19,720 1,721 3,722 3,725 1,727 3,728 2,729 1,730 1,734 4,735 2,737 4,738 3,739 2,744 46,745 1,748 4,749 1,752 6,754 4,756 1,760 30.6,761 4,762 4,763 6,765 4,766 1,767 26.667,768 10.526,769 9.403,770 2.861,771 3,773 2.856,774 1.313,775 0.926,776 8.932,777 11.969,778 4.205,779 4.877,780 5.303,781 5.891,782 6.339,783 6.793,784 7.061,785 7.449,786 7.61,787 7.984,788 1,789 82,790 15.706,791 4.844,792 8.924,793 29.296,794 24.899,795 3.424,796 157.5,799 140.561,800 55.24,801 101.812,802 408.629,803 22.85,804 55.24,805 526.34,806 101.812,807 16.66,808 31.429,809 200.377,810 247.124,811 12.662,812 14.099,813 82.398,814 101.494,815 117.711,816 157.052,817 408.629,818 22.85,820 144.547,821 86.163,822 295.629,823 27.588,824 49.322,825 102.992,827 117.711,828 510.441,829 55.24,830 22.85,831 22.85,832 117.711,833 19.05,834 54.748,836 491.882,837 117.711,838 510.441,839 78.09,841 0.617,842 0.333,843 0.19,844 0.101,845 41,846 22,847 0.152,848 10,849 2,850 1.227,851 4.795,852 532.454,853 0.182,854 23,855 234.084,860 34.401,861 11.944,862 6.747,863 -0.037,864 491.882,865 2.088,866 11.788,870 -0.116,871 1.112,872 181.425,873 706.242,874 66,875 -3.619,877 94.6,879 0.705,881 -3.691,882 -17.428,883 68.317,884 71.42,885 0.357,886 0.77,887 0.866,888 0.919,889 0.935,890 0.935,891 5.547,892 2.491,893 6.561,894 8.326,895 5.081,896 5.566,897 3.739,898 7.541,899 4.995,900 6.85,901 2.397,902 8.239,903 8.086,904 5.198,905 5.859,906 3.534,907 9.024,908 5.122,909 8.255,910 2.072,911 10.026,912 8.009,913 6.936,914 7.88,915 5.263,916 12.092,917 6.796,918 9.688,919 1.879,920 11.878,921 6.336,922 7.754,923 8.855,924 5.687,925 14.334,926 7.621,927 11.146,928 1.564,929 13.77,930 5.754,931 9.125,932 10.495,933 7.012,934 17.089,935 8.948,936 12.62,937 1.537,938 15.691,939 4.759,940 10.204,941 11.735,942 7.698,943 19.623,944 10.025,945 14.107,946 1.286,947 17.634,948 3.674,949 11.476,950 13.258,951 8.857,952 22.324,953 11.268,954 3.727,955 1.089,956 19.597,957 3.271,958 12.66,959 14.616,960 9.671,961 24.976,962 12.442,963 3.439,964 15.655,965 21.575,966 3.097,967 13.913,968 16.101,969 10.748,970 27.684,971 13.673,972 3.277,973 12.198,974 23.567,975 4.581,976 15.143,977 17.518,978 11.633,979 30.386,980 14.889,981 3.116,982 11.806,983 25.571,984 4.337,985 16.399,986 18.994,987 12.666,988 33.109,989 16.126,990 2.996,991 10.566,992 27.586,993 4.038,994 17.652,995 20.443,996 13.592,997 35.834,998 17.363,999 2.735,1000 10.449,1001 29.61,1002 3.799,1003 18.917,1004 21.921,1005 14.602,1006 38.568,1007 18.611,1008 2.653,1009 8.975,1010 31.643,1011 3.731,1012 20.185,1013 23.39,1014 15.551,1015 41.305,1016 19.861,1017 30698,1018 71958,1019 30.63,1020 41.914,1021 79.935,1022 84.062,1023 83.041,1024 78.381,1025 78.706,1026 100.494,1027 22.76,1028 257.952,1029 75.095,1030 5.887,1031 6.431,1032 7.591,1033 5.832,1034 5.727,1035 7.581,1036 4.717,1037 24.082,1038 5.641,1039 35.401,1040 1.599,1041 1.681,1042 1.661,1043 1.568,1044 1.574,1045 2.01,1046 0.455,1047 5.159,1048 1.502,1049 4.144,1050 4.179,1051 4.655,1052 4.021,1053 7.819,1054 3.977,1055 4.044,1056 4.076,1057 4.384,1058 3.926,1059 7.811,1060 3.881,1061 3.83,1062 3.834,1063 4.119,1064 3.842,1065 7.662,1066 3.65,1067 3.765,1068 3.734,1069 4.066,1070 3.759,1071 7.486,1072 3.581,1073 3.672,1074 3.692,1075 4.03,1076 3.581,1077 7.445,1078 3.355,1079 3.605,1080 3.624,1081 3.732,1082 3.437,1083 7.41,1084 3.309,1085 3.55,1086 3.523,1087 3.671,1088 3.207,1089 6.999,1090 3.229,1091 3.34,1092 3.408,1093 3.595,1094 3.116,1095 6.999,1096 3.12,1097 0.098,1098 0.089,1099 0.161,1100 0.094,1101 0.075,1102 4.887,1103 0.092,1104 4.431,1105 0.054,1106 8.062,1107 0.313,1108 4.703,1109 0.073,1110 3.727,1111 4.581,1112 2.717,1113 15.655,1114 3.641,1115 1.907,1116 1.888,1117 1.951,1118 2.153,1119 1.195,1120 2.08,1121 1.796,1122 1.75,1123 1.843,1124 2.006,1125 1.105,1126 1.963,1127 1.61,1128 1.614,1129 1.756,1130 1.858,1131 0.995,1132 1.813,1133 1.539,1134 1.523,1135 1.644,1136 1.802,1137 0.761,1138 1.753,1139 1.481,1140 1.463,1141 1.396,1142 1.786,1143 0.526,1144 1.706,1145 1.35,1146 1.324,1147 1.323,1148 1.776,1149 0.43,1150 1.7,1151 1.282,1152 1.301,1153 1.274,1154 1.556,1155 0.329,1156 1.637,1157 1.265,1158 1.244,1159 1.146,1160 1.422,1161 0.244,1162 1.506,1163 4.615,1165 6.043,1166 3.434,1167 7.632,1168 5.9,1169 9.308,1170 8.1,1171 11.038,1174 5.798,1175 36.75,1176 -1.203,1179 29.123,1181 -6.706,1183 -3.052,1184 43.421,1185 131.695,1186 284.266,1187 319.65,1188 339.16,1189 345.16,1190 345.16,1191 189.26,1192 9.113,1193 394.59,1194 424.02,1195 27,1196 13.551,1197 4.459,1198 4.087,1199 78.597,1200 216,1201 239,1202 0.176,1203 271.541,1204 491.18,1205 654.319,1206 112927,1208 33.982,1209 0.739,1210 0.531,1211 34.732,1212 24.441,1213 21.234,1214 0.425,1215 0.324,1216 11.605,1217 17.293,1218 11.299,1219 9.114,1220 23.868,1221 16.211,1222 23.064,1223 0.288,1224 0.168,1225 27.075,1226 13.479,1227 16.223,1228 0.158,1229 0.097,1230 19.091,1231 10.011,1232 15.432,1233 0.101,1234 0.05,1235 19.393,1236 7.634,1237 11.379,1238 0.059,1239 0.025,1240 12.923,1241 4.762,1242 0.269,1243 167.103,1244 0.181,1245 39.055,1246 0.505,1247 260,1248 1302.54,1249 434.153,1250 1214.87,1251 1568.06,1252 1100,1253 313,1254 1046.1,1255 521.757,1256 1107.92,1257 1655.83,1258 1029,1259 8.561}
{0 CHEMBL1253351,1 2.03,2 19.869,3 -2.631,4 6.923,5 280.491,6 11.46,7 0.404,8 4.927,9 4.937,10 5.144,11 4.517,12 6.212,13 4.511,14 5.439,15 5.452,16 5.341,17 4.871,18 7.52,19 4.893,20 5.674,21 5.752,22 5.386,23 5.047,24 7.234,25 5.041,26 5.857,27 5.959,28 5.506,29 5.08,30 7.47,31 5.082,32 5.866,33 5.962,34 5.643,35 5.044,36 7.402,37 5.092,38 5.905,39 5.964,40 5.579,41 5.014,42 8.149,43 5.08,44 5.798,45 5.91,46 5.354,47 5.056,48 7.403,49 5.05,50 5.836,51 5.949,52 5.464,53 5.099,54 7.537,55 5.107,56 0.982,57 1.833,58 20.942,59 14.455,60 330.715,61 6.673,62 3.101,63 2.682,64 19.818,65 19.566,66 685.824,67 13.803,68 3.312,69 3.516,70 36.83,71 26.019,72 641.883,73 17.917,74 4.682,75 3.936,76 67.432,77 31.737,78 880.338,79 20.603,80 4.49,81 3.892,82 70.608,83 31.54,84 1036.62,85 20.378,86 6.448,87 3.714,88 55.6,89 28.036,90 1397.91,91 20.232,92 4.491,93 3.684,94 52.716,95 28.379,96 878.034,97 21.373,98 4.87,99 3.841,100 45.585,101 27.744,102 978.232,103 22.778,104 906,105 141,106 0.277,107 0.484,108 0.559,109 0.623,110 0.652,111 0.661,112 4.444,113 1.103,114 2.67,115 2.39,116 1.93,117 35.3,130 18,131 4,132 14,142 4,143 1,150 16,151 8,152 12,153 8,154 4,157 22,158 1,159 12,160 12,161 12,164 32,169 32,170 4,171 8,172 8,174 28,177 8,178 4,179 18,182 4,183 4,184 4,188 24,189 20,191 4,192 4,193 12,194 12,195 16,196 4,199 26,200 10,203 32,204 10,205 6,207 24,208 8,211 4,212 16,213 4,215 8,216 4,217 12,220 20,221 8,223 8,224 20,227 4,229 20,230 4,232 16,233 12,237 44,238 4,240 8,241 4,242 32,243 4,244 4,245 4,247 25978,248 50.892,249 50.892,250 50.892,251 50.892,252 50.892,253 43.673,254 60.62,255 27.891,256 52.312,257 43.914,258 43.914,259 43.914,260 43.914,261 43.914,262 31.893,263 69.218,264 13.313,265 46.229,266 4.828,267 3.313,268 2.764,269 2.293,270 2.086,271 2.017,272 5.122,276 3469,277 8.832,280 2011.29,284 2.638,285 287.43,287 0.25,289 0.33,292 0.17,294 0.11,295 200,296 1669,297 4.891,298 5.199,299 7.278,300 4.349,301 3.431,302 4.772,303 2.925,304 12.363,305 3.125,306 4.891,307 5.199,308 7.278,309 4.349,310 3.431,311 4.772,312 2.925,313 12.363,314 3.124,315 4.891,316 5.199,317 7.278,318 4.348,319 3.43,320 4.772,321 2.925,322 12.363,323 3.118,324 4.891,325 5.199,326 7.278,327 4.348,328 3.43,329 4.772,330 2.925,331 12.363,332 3.118,333 4.747,334 5.139,335 7.084,336 4.163,337 3.249,338 4.584,339 2.925,340 11.564,341 2.992,342 4.747,343 5.139,344 7.084,345 4.163,346 3.249,347 4.584,348 2.925,349 11.564,350 2.982,351 4.747,352 5.139,353 7.084,354 4.162,355 3.248,356 4.584,357 2.925,358 11.564,359 2.936,360 4.747,361 5.139,362 7.084,363 4.162,364 3.248,365 4.584,366 2.925,367 11.564,368 2.936,369 4.372,370 3.625,371 6.249,372 4.002,373 3.007,374 4.007,375 1.656,376 9.449,377 2.93,378 4.356,379 3.612,380 6.243,381 3.984,382 2.985,383 3.994,384 1.058,385 9.422,386 2.928,387 3.999,388 3.547,389 5.932,390 3.644,391 2.648,392 3.457,393 1.058,394 8.3,395 2.628,396 3.999,397 3.537,398 5.932,399 3.644,400 2.648,401 3.457,402 1.058,403 8.3,404 2.628,405 3.895,406 3.537,407 5.623,408 3.53,409 2.56,410 3.405,411 1.058,412 7.608,413 2.468,414 3.861,415 2.882,416 5.604,417 3.387,418 2.414,419 3.4,420 0.247,421 7.465,422 2.345,423 3.766,424 2.88,425 5.53,426 3.32,427 2.339,428 3.153,429 7.152,430 2.29,431 39.233,432 0.467,433 4.237,434 0.05,435 125.25,436 1.491,437 70.5,438 0.839,439 54.75,440 0.652,441 86.94,442 1.035,443 95.167,444 0.82,445 183.92,446 2.19,447 23.893,448 0.284,449 14.3,450 0.17,451 0.246,452 0.17,453 0.293,454 0.696,455 1.251,456 0.916,457 1.436,458 0.902,459 0.801,460 0.432,461 1.019,462 0.793,463 0.895,464 0.424,465 0.919,466 0.941,467 1.295,468 1.026,469 1.085,470 0.827,471 1.163,472 1.111,473 1.058,474 0.94,475 0.867,476 1.028,477 1.044,478 1.073,479 1.126,480 0.837,481 1.112,482 1.172,483 0.97,484 0.621,485 0.757,486 0.822,487 0.704,488 0.622,489 0.909,490 0.928,491 0.868,492 0.896,493 0.796,494 0.892,495 1.033,496 0.826,497 0.984,498 0.664,499 0.694,500 0.754,501 0.907,502 32.5,503 1.669,504 13.556,505 8.5,506 6.951,507 7.264,508 2.402,509 2.229,510 2.203,511 1.69,512 172429,513 895354,514 1.879,515 27.6,517 18,520 14,524 1.972,525 1.658,526 4.177,527 8.664,532 235.475,533 2.03,534 3.545,535 4.094,536 4.565,537 4.772,538 4.841,539 3.389,540 4.059,541 6.367,542 4.497,543 15678.2,544 11.554,545 470821,549 795.526,550 1.881,551 6.232,552 0.365,553 0.01,554 0.096,555 0.058,556 0.045,557 0.046,558 0.014,559 0.016,560 0.014,561 0.01,562 0.674,563 0.17,564 0.38,565 0.929,566 576.177,567 -0.029,568 -0.005,569 0.221,570 -0.127,571 -0.241,572 0.136,573 0.393,574 0.05,575 -0.089,576 0.015,577 0.399,578 -0.099,579 -0.187,580 -0.24,581 -0.191,582 -0.153,583 -0.088,584 -0.195,585 -0.229,586 -0.048,587 -0.06,588 0.018,589 -0.174,590 -0.053,591 -0.158,592 -0.127,593 0.151,594 -0.144,595 -0.265,596 0.065,597 0.436,598 0.208,599 -0.059,600 0.099,601 0.44,602 -0.037,603 -0.088,604 0.108,605 -0.08,606 0.037,607 -0.09,608 -0.013,609 0.009,610 -0.022,611 0.102,612 0.095,613 0.043,614 0.108,615 6.395,616 6.862,617 0.429,618 156.964,619 1.079,620 1.119,621 -3.904,622 15.243,623 0.718,624 4.5,625 4.956,626 5.106,627 5.338,628 5.609,629 5.79,630 5.82,631 5.905,632 5.974,633 6.146,634 13.146,635 0.726,636 1329.35,637 4.5,638 6.133,639 6.976,640 7.904,641 8.771,642 9.692,643 10.568,644 11.486,645 12.365,646 13.281,647 5.2,652 6,659 18,664 18,666 36,667 4,675 116,676 57,677 6,678 89,679 121,680 41,681 36,682 18,683 18,684 4,685 6,686 6,687 1,692 41,695 21,697 8,698 21,702 5,705 32,706 35,707 14,708 43,709 8,712 6,714 1,715 29,728 6,737 8,739 6,741 8,744 84,747 8,748 8,751 6,760 25,761 8,762 21,767 50.667,768 19.683,769 16.889,770 5.281,773 5.26,774 1.521,775 0.96,776 18.631,777 15.357,778 4.86,779 5.602,780 5.995,781 6.539,782 7.104,783 7.492,784 7.73,785 7.94,786 8.075,787 8.529,788 1,789 146,790 61.509,791 51.986,792 8.972,793 53.897,794 45.679,795 3.472,796 291.667,799 211.88,800 246.068,801 108.065,802 792.997,803 10.712,804 235.356,805 1004.88,806 108.065,808 108.065,809 494.053,810 499.047,811 41.689,812 4.276,813 211.88,815 211.88,816 343.42,817 792.997,818 10.712,820 211.88,821 480.228,822 312.769,823 108.065,824 235.356,825 10.712,827 211.88,828 901.061,829 246.068,831 10.712,832 211.88,833 64.783,834 170.572,835 108.065,836 792.997,837 211.88,838 901.061,839 246.068,841 0.626,842 0.327,843 0.154,844 0.092,845 65,846 39,847 0.149,848 18,850 1,851 7.065,852 1137,854 36,855 362.955,859 8,860 65.99,861 23.716,862 16.815,864 901.061,865 9.298,870 -18.217,872 420.833,873 1359.01,874 128,876 -42.583,877 261.52,881 -7.54,883 125.201,884 129.82,885 0.296,886 0.517,887 0.597,888 0.666,889 0.696,890 0.706,891 6.174,892 3.248,893 7.109,894 11.564,895 5.645,896 6.293,897 5.022,898 8.043,899 5.544,900 7.515,901 3.007,902 8.774,903 11.564,904 5.802,905 6.78,906 1.195,907 9.475,908 5.604,909 8.945,910 2.985,911 10.55,912 9.449,913 7.491,914 8.786,915 7.084,916 12.434,917 7.239,918 10.41,919 2.648,920 12.389,921 9.422,922 8.307,923 9.942,924 2.324,925 14.544,926 7.939,927 11.899,928 2.648,929 14.266,930 8.3,931 9.649,932 11.613,933 9.216,934 17.171,935 9.221,936 13.407,937 2.56,938 16.166,939 8.3,940 10.702,941 13.004,942 3.407,943 19.519,944 10.157,945 14.929,946 2.414,947 18.083,948 7.608,949 11.944,950 14.582,951 11.36,952 22.049,953 11.325,954 3.431,955 2.339,956 20.013,957 7.465,958 13.088,959 16.063,960 4.464,961 24.486,962 12.359,963 3.431,964 12.363,965 21.952,966 7.152,967 14.301,968 17.614,969 13.505,970 26.988,971 13.487,972 3.43,973 12.363,974 23.898,975 4.772,976 15.482,977 19.131,978 5.504,979 29.459,980 14.563,981 3.43,982 12.363,983 25.85,984 4.772,985 16.688,986 20.676,987 15.652,988 31.955,989 15.679,990 3.249,991 12.363,992 27.806,993 4.772,994 17.885,995 22.208,996 6.531,997 34.44,998 16.775,999 3.249,1000 11.564,1001 29.765,1002 4.772,1003 19.092,1004 23.752,1005 17.798,1006 36.935,1007 17.888,1008 3.248,1009 11.564,1010 31.727,1011 4.584,1012 20.298,1013 25.292,1014 7.551,1015 39.427,1016 18.994,1017 168295,1018 384088,1019 52.994,1020 83.295,1021 140.29,1022 159.399,1023 144.525,1024 139.28,1025 139.046,1026 193.19,1027 59.071,1028 448.459,1029 133.142,1030 5.781,1031 7.199,1032 6.551,1033 5.413,1034 5.431,1035 7.772,1036 5.85,1037 19.933,1038 5.125,1039 76.418,1040 1.576,1041 1.791,1042 1.624,1043 1.565,1044 1.562,1045 2.171,1046 0.664,1047 5.039,1048 1.496,1049 4.193,1050 4.167,1051 4.804,1052 4.171,1053 7.792,1054 4.095,1055 4.105,1056 4.071,1057 4.753,1058 4.098,1059 7.759,1060 4.012,1061 4.101,1062 4.061,1063 4.753,1064 4.096,1065 7.759,1066 4.008,1067 4.101,1068 4.061,1069 4.753,1070 4.096,1071 7.759,1072 4.008,1073 3.971,1074 3.978,1075 4.673,1076 3.898,1077 7.757,1078 3.892,1079 3.932,1080 3.941,1081 4.673,1082 3.866,1083 7.757,1084 3.864,1085 3.835,1086 3.726,1087 4.673,1088 3.804,1089 7.757,1090 3.645,1091 3.835,1092 3.726,1093 4.673,1094 3.804,1095 7.757,1096 3.645,1097 0.055,1098 0.058,1099 0.082,1100 0.049,1101 0.039,1102 4.891,1103 0.054,1104 5.199,1105 0.033,1106 7.278,1107 0.139,1108 4.349,1109 0.035,1110 3.431,1111 4.772,1112 2.925,1113 12.363,1114 3.125,1115 2.001,1116 2.018,1117 2.024,1118 2.084,1119 1.211,1120 2.099,1121 1.999,1122 2.018,1123 2.009,1124 2.073,1125 1.211,1126 2.096,1127 1.988,1128 2.012,1129 1.951,1130 2.049,1131 1.204,1132 2.085,1133 1.988,1134 2.012,1135 1.951,1136 2.049,1137 1.204,1138 2.085,1139 1.92,1140 1.909,1141 1.931,1142 2.004,1143 1.121,1144 2.016,1145 1.899,1146 1.889,1147 1.923,1148 1.971,1149 1.107,1150 1.983,1151 1.526,1152 1.628,1153 1.434,1154 1.686,1155 0.586,1156 1.733,1157 1.526,1158 1.628,1159 1.369,1160 1.684,1161 0.586,1162 1.733,1163 5.187,1165 6.611,1167 8.185,1169 9.828,1171 11.51,1175 77.195,1178 11.994,1184 84.203,1185 235.475,1186 411.27,1187 474.957,1188 529.526,1189 553.526,1190 561.526,1191 604.883,1192 10.097,1193 592.49,1194 659.53,1195 36,1196 13.799,1197 5.858,1198 5.322,1199 183.088,1200 661,1201 580,1202 0.127,1203 538.07,1204 986.57,1205 1304.65,1206 457555,1208 63.25,1209 0.753,1210 0.558,1211 65.25,1212 46.841,1213 38.193,1214 0.429,1215 0.368,1216 21.707,1217 30.168,1218 20.497,1219 16.846,1220 45.347,1221 32.718,1222 43.05,1223 0.305,1224 0.196,1225 54.072,1226 27.672,1227 28.466,1228 0.174,1229 0.107,1230 34.372,1231 17.512,1232 22.676,1233 0.11,1234 0.058,1235 27.437,1236 11.932,1237 18.699,1238 0.069,1239 0.034,1240 23.618,1241 9.19,1242 0.201,1243 318.04,1244 0.137,1245 63.068,1246 0.345,1247 460,1248 2058.52,1249 804.915,1250 2108.39,1251 2690.04,1252 1870,1253 535,1254 1662.79,1255 933.106,1256 1972.71,1257 2843.6,1258 1820,1259 6.3}
{0 CHEMBL129841,1 2.058,2 9.556,3 -2.319,4 5.378,5 89.494,6 9.665,7 0.345,8 3.955,9 4.042,10 3.993,11 3.357,12 5.127,13 3.371,14 4.544,15 4.646,16 4.189,17 3.692,18 6.344,19 3.726,20 4.688,21 4.846,22 4.063,23 3.816,24 5.881,25 3.784,26 4.738,27 4.905,28 4.188,29 3.907,30 5.945,31 3.851,32 4.854,33 5.027,34 4.222,35 3.897,36 6.209,37 3.849,38 4.81,39 4.985,40 4.188,41 3.826,42 6.232,43 3.735,44 4.63,45 4.816,46 4.227,47 3.723,48 5.904,49 3.639,50 4.597,51 4.729,52 4.19,53 3.602,54 6.585,55 3.58,56 0.676,57 0.627,58 12.372,59 4.724,60 76.749,61 3.499,62 1.604,63 0.917,64 19.84,65 6.869,66 187.536,67 6.368,68 1.5,69 1.029,70 25.021,71 8.452,72 142.49,73 8.132,74 1.477,75 1.097,76 27.619,77 9.525,78 152.04,79 8.941,80 1.94,81 1.065,82 33.29,83 9.803,84 202.146,85 9.867,86 1.996,87 0.946,88 34.275,89 10.279,90 191.694,91 9.113,92 1.554,93 0.841,94 30.605,95 8.456,96 161.796,97 7.508,98 1.775,99 0.737,100 27.323,101 7.824,102 258.212,103 7.003,104 64,105 44,106 0.359,107 0.699,108 0.831,109 0.847,110 0.871,111 0.887,112 3.341,113 1.095,114 -2.29,115 -2.33,116 -2.29,117 25,119 1,121 1,122 1,124 2,125 1,134 1,135 1,136 1,144 1,145 1,150 4,151 4,153 6,154 3,157 9,158 2,163 4,167 1,172 1,173 5,174 4,175 2,177 2,179 2,187 3,189 3,191 4,196 1,199 6,200 2,201 1,203 7,205 3,209 1,211 3,213 4,215 2,218 4,223 4,225 2,227 9,228 4,236 3,238 1,240 5,243 1,247 1116,248 17.143,249 17.143,250 17.143,251 17.143,252 17.143,253 15.603,254 18.185,255 9.659,256 17.7,257 14.284,258 14.284,259 14.284,260 14.284,261 14.284,262 11.78,263 23.594,264 4.523,265 15.22,266 3.402,267 1.454,268 0.699,269 0.608,270 0.472,271 0.381,272 4.011,275 1,276 533,277 4.416,279 134.364,280 74.651,282 112.761,284 1.498,285 55.764,287 0.75,288 0.83,289 0.83,290 0.9,291 0.5,292 0.67,293 0.5,294 0.71,295 64.833,296 258,297 4.638,298 3.495,299 6.826,300 4.199,301 3.258,302 4.585,303 1.041,304 11.322,305 3.12,306 4.412,307 3.231,308 6.526,309 4.114,310 3.149,311 3.735,312 0.4,313 10.404,314 3.076,315 4.377,316 3.145,317 6.397,318 4.091,319 3.098,320 3.716,322 9.963,323 2.992,324 3.981,325 3,326 6.191,327 3.775,328 2.83,329 3.277,331 9.263,332 2.658,333 3.662,334 2.615,335 5.885,336 3.347,337 2.421,338 2.812,340 8.099,341 2.233,342 3.056,343 2.051,344 5.084,345 2.72,346 1.799,347 2.325,349 5.612,350 1.652,351 2.999,352 1.877,353 4.376,354 2.451,355 1.547,356 2.101,358 4.154,359 1.398,360 2.481,361 1.549,362 4.203,363 2.342,364 1.435,365 1.474,367 3.704,368 1.289,369 2.43,370 1.311,371 4.021,372 1.94,373 1.03,374 1.408,376 2.942,377 0.933,378 2.167,379 1.009,380 3.354,381 1.787,382 0.89,383 1.094,385 1.991,386 0.797,387 1.597,388 1.002,389 3.319,390 1.403,391 0.532,392 0.546,394 1.324,395 0.458,396 1.531,397 0.477,398 3.093,399 1.21,400 0.303,401 0.364,403 0.5,404 0.275,405 0.919,406 0.142,407 2.73,408 0.703,409 -0.22,410 -0.226,412 -0.69,413 -0.2,414 0.762,415 -0.441,416 2.511,417 0.312,418 -0.596,419 -0.747,421 -1.239,422 -0.54,423 0.659,424 -0.626,425 2.429,426 0.163,427 -0.765,428 -0.875,429 -2.106,430 -0.704,431 12.5,432 0.463,433 1.1,434 0.041,435 31.75,436 1.176,437 11.5,438 0.426,439 20.25,440 0.75,441 24.035,442 0.89,443 32.5,444 0.739,445 27.392,446 1.015,447 6.068,448 0.225,449 6.504,450 0.241,451 0.2,452 0.16,453 0.272,454 1.268,455 1.983,456 0.766,457 1.899,458 1.094,459 1.059,460 0.547,461 0.92,462 0.856,463 0.86,464 0.283,465 0.861,466 1.061,467 1.115,468 0.966,469 0.807,470 0.801,471 1.006,472 0.948,473 1.072,474 1.026,475 1.04,476 0.867,477 1.096,478 0.929,479 1.098,480 0.991,481 1.003,482 0.967,483 1.099,484 0.918,485 0.834,486 0.94,487 0.745,488 0.982,489 1,490 1.208,491 1.069,492 0.971,493 1.241,494 1.189,495 0.946,496 0.753,497 1.009,498 1.032,499 1.183,500 0.748,501 0.974,502 8.5,503 0.198,504 3.333,505 2.201,506 1.793,507 1.334,508 0.795,509 0.776,510 0.456,511 0.314,512 7657,513 34865,514 1.954,515 38.6,517 7,518 1,519 2,520 5,523 2,524 1.707,525 1.761,526 3.207,527 2.841,532 90.535,533 2.058,534 4.005,535 4.76,536 4.851,537 4.988,538 5.079,539 2.685,540 3.958,541 4.724,542 3.409,543 1196.71,544 8.236,545 15269.9,549 240.215,550 1.816,551 4.629,552 0.293,553 0.012,554 0.076,555 0.056,556 0.044,557 0.033,558 0.022,559 0.024,560 0.012,561 0.014,562 0.586,563 0.17,564 0.88,565 1.487,566 132.325,567 -0.443,568 -0.553,569 0.278,570 -0.393,571 -0.345,572 -0.016,573 0.456,574 0.215,575 -0.06,576 0.028,577 0.57,578 0.023,579 -0.171,580 -0.077,581 -0.148,582 0.026,583 -0.124,584 -0.027,585 -0.118,586 0.038,587 -0.131,588 -0.064,589 -0.146,590 -0.094,591 -0.008,592 -0.112,593 -0.066,594 -0.087,595 -0.083,596 -0.103,597 0.089,598 0.079,599 0.004,600 0.13,601 -0.052,602 -0.042,603 -0.239,604 -0.073,605 0.17,606 -0.038,607 -0.232,608 0.076,609 0.396,610 -0.047,611 0.044,612 -0.06,613 0.614,614 -0.039,615 5.676,616 4.197,617 0.519,618 24.716,619 1.059,620 1.153,621 1.062,622 1.127,623 0.655,624 3.401,625 3.807,626 3.97,627 4.29,628 4.5,629 4.673,630 4.844,631 5.004,632 4.997,633 5.063,634 5.991,635 0.638,636 425.27,637 3.401,638 4.99,639 5.826,640 6.749,641 7.613,642 8.536,643 9.417,644 10.339,645 11.23,646 12.151,647 11.4,650 1,653 1,655 3,658 2,659 2,660 3,664 1,665 1,666 10,670 1,675 44,676 12,678 29,679 46,680 11,681 5,685 3,686 4,689 3,691 3,692 5,693 6,695 2,698 2,703 2,705 17,706 13,707 5,708 16,709 2,711 1,712 5,714 0.667,715 9,720 1,721 2,722 2,725 1,727 2,728 1,730 1,737 4,738 1,739 2,742 1,744 27,748 4,749 2,751 1,752 3,754 3,760 20.5,761 4,762 2,763 3,767 15.333,768 7.5,769 5.639,770 2.125,771 2,773 2.168,774 1.295,775 0.917,776 5.892,777 9.518,778 3.611,779 4.238,780 4.662,781 5.266,782 5.723,783 6.081,784 6.463,785 6.83,786 6.85,787 7.088,788 1,789 39,790 11.295,791 5.948,792 8.523,793 17.969,794 14.913,795 3.023,796 81.611,799 147.54,800 38.948,801 70.266,802 213.897,803 6.287,804 38.948,805 355.15,806 70.266,807 8.396,808 7.127,809 148.527,810 173.9,811 12.662,812 14.099,813 105.94,815 141.253,816 109.214,817 213.897,818 6.287,820 141.253,821 40.526,822 173.371,823 30.123,824 10.724,825 74.654,827 141.253,828 284.163,829 38.948,830 6.287,831 6.287,832 141.253,833 13.314,834 27.533,835 18.011,836 264.254,837 141.253,838 284.163,839 45.234,841 0.603,842 0.304,843 0.165,844 0.095,845 22,846 11,847 0.152,848 7,849 1,850 1.143,851 3.666,852 233.049,853 0.143,854 14,855 124.382,860 20.613,861 7.718,862 5.033,863 0.844,864 282.264,865 2.713,866 12.34,870 0.473,871 1.505,872 166.538,873 470.651,874 36,877 22.116,882 -9.674,883 46.589,884 50.73,885 0.377,886 0.734,887 0.872,888 0.889,889 0.914,890 0.93,891 4.916,892 1.435,893 5.916,894 4.154,895 4.489,896 4.924,897 1.249,898 6.81,899 4.369,900 6.184,901 1.03,902 7.537,903 3.704,904 4.511,905 5.139,907 8.116,908 4.412,909 7.56,910 0.89,911 9.263,912 2.942,913 6.263,914 7.203,915 1.224,916 11.04,917 6.062,918 8.967,919 0.532,920 11.045,921 1.991,922 6.986,923 8.143,925 13.014,926 6.8,927 10.4,928 0.303,929 12.858,930 1.324,931 8.335,932 9.824,933 1.268,934 15.563,935 8.074,936 11.851,937 -0.22,938 14.691,939 0.5,940 9.315,941 11.06,943 17.772,944 9.05,945 13.313,946 -0.596,947 16.537,948 -0.69,949 10.533,950 12.617,951 1.324,952 20.208,953 10.213,954 3.258,955 -0.765,956 18.391,957 -1.239,958 11.613,959 13.99,961 22.512,962 11.274,963 3.149,964 11.322,965 20.253,966 -2.106,967 12.785,968 15.507,969 1.383,970 24.911,971 12.403,972 3.098,973 10.404,974 22.119,975 4.585,976 13.907,977 16.947,979 27.259,980 13.497,981 2.83,982 9.963,983 23.989,984 3.735,985 15.064,986 18.453,987 1.444,988 29.649,989 14.617,990 2.421,991 9.263,992 25.863,993 3.716,994 16.203,995 19.929,997 32.02,998 15.725,999 1.799,1000 8.099,1001 27.739,1002 3.277,1003 17.358,1004 21.435,1005 1.506,1006 34.41,1007 16.843,1008 1.547,1009 5.612,1010 29.618,1011 2.812,1012 18.505,1013 22.931,1015 36.794,1016 17.957,1017 7733,1018 16662,1019 18.087,1020 28.812,1021 44.871,1022 45.683,1023 45.724,1024 44.33,1025 44.585,1026 54.877,1027 2.882,1028 138.556,1029 41.758,1030 5.593,1031 5.495,1032 6.415,1033 5.317,1034 5.258,1035 7.585,1036 2.082,1037 18.758,1038 5.025,1039 17.826,1040 1.547,1041 1.575,1042 1.577,1043 1.529,1044 1.537,1045 1.892,1046 0.099,1047 4.778,1048 1.44,1049 4.107,1050 4.159,1051 4.43,1052 3.924,1053 7.478,1054 3.947,1055 3.836,1056 3.853,1057 4.405,1058 3.816,1059 7.471,1060 3.666,1061 3.615,1062 3.59,1063 4.076,1064 3.777,1065 6.439,1066 3.406,1067 3.533,1068 3.544,1069 3.657,1070 3.524,1071 6.435,1072 3.325,1073 3.382,1074 3.437,1075 3.301,1076 3.143,1077 6.23,1078 3.147,1079 3.194,1080 3.284,1081 3.049,1082 2.945,1083 6.23,1084 2.946,1085 3.05,1086 3.118,1087 2.905,1088 2.849,1089 5.16,1090 2.834,1091 2.741,1092 2.815,1093 2.622,1094 2.502,1095 4.703,1096 2.514,1097 0.16,1098 0.121,1099 0.235,1100 0.145,1101 0.112,1102 4.638,1103 0.158,1104 3.495,1105 0.036,1106 6.826,1107 0.39,1108 4.199,1109 0.108,1110 3.258,1111 4.585,1112 1.041,1113 11.322,1114 3.12,1115 1.807,1116 1.76,1117 1.876,1118 2.015,1119 1.235,1120 1.977,1121 1.647,1122 1.623,1123 1.803,1124 1.827,1125 1.013,1126 1.846,1127 1.534,1128 1.493,1129 1.69,1130 1.794,1131 0.839,1132 1.776,1133 1.364,1134 1.379,1135 1.563,1136 1.552,1137 0.619,1138 1.612,1139 1.241,1140 1.236,1141 1.358,1142 1.5,1143 0.466,1144 1.549,1145 1.222,1146 1.133,1147 1.083,1148 1.356,1149 0.25,1150 1.466,1151 1.087,1152 1.02,1153 0.951,1154 1.336,1155 0.17,1156 1.352,1157 0.801,1158 0.73,1159 0.896,1160 1.062,1161 0.065,1162 1.06,1163 4.078,1165 5.46,1166 3.045,1167 6.995,1168 5.416,1169 8.602,1170 7.535,1171 10.252,1172 1.659,1175 35.835,1176 -0.667,1178 2.857,1179 14.734,1181 -3.125,1184 28.075,1185 90.535,1186 176.241,1187 209.46,1188 213.46,1189 219.46,1190 223.46,1191 67.083,1192 7.35,1193 198.38,1194 218,1195 16,1196 12.665,1197 3.7,1198 3,1199 46.673,1200 96,1201 94,1202 0.242,1203 180.192,1204 303.19,1205 431.429,1206 13684,1208 19.82,1209 0.734,1210 0.578,1211 20.32,1212 15.603,1213 12.572,1214 0.434,1215 0.365,1216 7.515,1217 10.123,1218 7.212,1219 5.878,1220 14.425,1221 10.58,1222 13.284,1223 0.302,1224 0.182,1225 16.072,1226 8.013,1227 8.798,1228 0.169,1229 0.092,1230 9.683,1231 4.797,1232 7.683,1233 0.107,1234 0.051,1235 8.51,1236 3.64,1237 6.112,1238 0.069,1239 0.028,1240 6.96,1241 2.458,1242 0.371,1243 100.001,1244 0.235,1245 25.504,1246 0.693,1247 146,1248 631.415,1249 239.686,1250 599.869,1251 784.17,1252 548,1253 169,1254 502.262,1255 278.326,1256 558.803,1257 831.15,1258 520,1259 5.939}
{0 CHEMBL131890,1 2.223,2 11.903,3 -3.552,4 12.616,5 104.644,6 11.134,7 0.303,8 4.04,9 4.107,10 4.27,11 3.52,12 5.289,13 3.482,14 4.619,15 4.669,16 4.545,17 3.879,18 6.467,19 3.851,20 4.773,21 4.893,22 4.585,23 3.975,24 6.149,25 3.926,26 4.925,27 5.036,28 4.573,29 3.967,30 6.797,31 3.944,32 4.837,33 4.997,34 4.405,35 3.938,36 6.204,37 3.847,38 4.783,39 4.905,40 4.413,41 3.815,42 6.565,43 3.805,44 4.736,45 4.877,46 4.173,47 3.753,48 6.331,49 3.671,50 4.576,51 4.725,52 4.126,53 3.653,54 6.13,55 3.566,56 0.947,57 0.692,58 13.54,59 7.279,60 118.8,61 2.865,62 1.835,63 1.011,64 21.749,65 11.204,66 193.783,67 5.641,68 2.11,69 1.14,70 30.927,71 12.808,72 240.039,73 7.432,74 2.629,75 1.125,76 34.143,77 13.157,78 342.276,79 8.426,80 2.3,81 1.063,82 35.644,83 12.899,84 263.891,85 8.415,86 2.188,87 0.947,88 32.553,89 11.412,90 296.045,91 7.876,92 2.169,93 0.882,94 27.95,95 10.454,96 264.176,97 7.028,98 1.738,99 0.794,100 29.201,101 9.858,102 236.962,103 6.736,104 108,105 52,106 0.381,107 0.731,108 0.855,109 0.909,110 0.923,111 0.923,112 3.472,113 1.231,114 -1.05,115 -1.15,116 -1.24,117 21.3,122 1,124 3,125 1,134 1,135 1,136 1,144 1,145 1,146 1,147 1,148 1,150 6,151 2,153 10,156 1,157 9,158 1,162 1,163 3,165 4,166 1,167 4,168 1,170 4,173 7,175 1,176 2,177 12,178 3,187 3,191 4,194 3,199 1,201 2,202 1,203 9,204 3,206 1,211 6,215 5,216 2,218 1,219 1,225 3,227 3,228 2,230 1,231 1,236 7,239 1,240 8,241 1,247 1597,248 19.033,249 19.033,250 19.033,251 19.033,252 19.033,253 17.282,254 13.425,255 10.487,256 19.53,257 16.255,258 16.255,259 16.255,260 16.255,261 16.255,262 13.456,263 15.015,264 4.962,265 17.167,266 3.332,267 1.288,268 0.569,269 0.255,270 0.17,271 0.17,272 4.136,276 768,277 5.099,279 168.882,280 92.668,282 140.072,284 1.848,285 77.115,287 0.25,288 0.5,289 0.5,290 0.5,291 0.5,292 0.33,293 0.5,294 0.44,295 75.5,296 369,297 4.68,298 3.591,299 7.058,300 4.437,301 3.439,302 4.581,303 1.041,304 12.198,305 3.433,306 4.641,307 3.445,308 6.924,309 4.222,310 3.298,311 4.038,313 11.609,314 3.105,315 4.392,316 3.158,317 6.594,318 4.109,319 3.116,320 3.731,322 10.554,323 3.039,324 4.143,325 3.104,326 6.525,327 3.936,328 2.995,329 3.391,331 10.111,332 2.808,333 4.07,334 2.754,335 6.092,336 3.732,337 2.734,338 3.323,340 8.974,341 2.725,342 3.66,343 2.587,344 5.891,345 3.313,346 2.387,347 2.918,349 7.929,350 2.202,351 3.058,352 2.241,353 5.236,354 2.826,355 1.9,356 2.324,358 5.87,359 1.75,360 3.029,361 1.969,362 4.787,363 2.483,364 1.591,365 2.11,367 4.714,368 1.415,369 2.731,370 1.549,371 4.144,372 2.444,373 1.542,374 1.76,376 3.671,377 1.386,378 2.413,379 1.365,380 4.069,381 1.945,382 1.04,383 1.386,385 2.926,386 0.937,387 2.101,388 1.232,389 3.791,390 1.667,391 0.773,392 0.995,394 1.835,395 0.689,396 1.756,397 0.883,398 3.353,399 1.565,400 0.706,401 0.727,403 1.746,404 0.601,405 1.099,406 0.58,407 3.3,408 0.863,409 -0.021,410 -0.022,412 -0.052,413 -0.018,414 1,415 -0.149,416 2.992,417 0.765,418 -0.199,419 -0.209,421 -0.679,422 -0.196,423 1,424 -0.188,425 2.73,426 0.587,427 -0.319,428 -0.403,429 -0.769,430 -0.288,431 14.833,432 0.478,433 1.481,434 0.048,435 36.25,436 1.169,437 13,438 0.419,439 23.25,440 0.75,441 29.479,442 0.951,443 37.367,444 0.795,445 35.073,446 1.131,447 6.774,448 0.219,449 7.417,450 0.239,451 0.263,452 0.202,453 0.263,454 1.425,455 1.733,456 0.685,457 1.672,458 1.255,459 0.916,460 0.562,461 0.959,462 0.675,463 0.732,464 0.503,465 0.846,466 1.147,467 1.26,468 0.882,469 1.182,470 0.988,471 1.093,472 0.74,473 0.86,474 0.835,475 0.781,476 0.677,477 0.975,478 1.116,479 0.894,480 0.904,481 0.874,482 1.103,483 1.001,484 0.87,485 1.042,486 0.948,487 1.052,488 0.812,489 1.045,490 1.08,491 0.761,492 1.06,493 0.765,494 1.14,495 1.039,496 1.115,497 1.16,498 1.158,499 1.176,500 1.138,501 1.16,502 11,503 0.333,504 4.444,505 4.299,506 1.833,507 1.42,508 0.981,509 0.585,510 0.511,511 0.375,512 12049,513 61402,514 1.899,515 34,517 5,518 1,519 2,520 8,524 1.736,525 1.683,526 3.498,527 5.404,532 104.462,533 2.223,534 4.267,535 4.985,536 5.299,537 5.384,538 5.384,539 2.922,540 4.543,541 4.928,542 3.735,543 1736.98,544 8.602,545 24867.1,549 261.066,550 1.883,551 4.801,552 0.333,553 0.012,554 0.085,555 0.09,556 0.035,557 0.036,558 0.022,559 0.017,560 0.016,561 0.013,562 0.66,563 0.17,564 0.63,565 1.805,566 161.519,567 -0.56,568 -0.389,569 0.295,570 -0.251,571 -0.44,572 0.066,573 0.433,574 0.148,575 0.067,576 0.146,577 0.348,578 -0.016,579 -0.231,580 -0.196,581 0.047,582 -0.151,583 -0.18,584 -0.105,585 0.275,586 0.065,588 0.027,589 0.335,590 -0.07,591 -0.178,592 0.025,593 0.027,594 0.023,595 -0.205,596 0.01,597 0.132,598 -0.11,599 -0.021,600 -0.136,601 0.206,602 -0.069,603 -0.057,604 0.106,605 -0.163,606 0.069,607 -0.123,608 -0.093,609 -0.145,610 -0.217,611 -0.12,612 -0.145,613 -0.12,614 -0.121,615 6.298,616 4.851,617 0.452,618 30.179,619 1.077,620 1.149,621 -0.18,622 0.032,623 0.692,624 3.526,625 3.97,626 4.127,627 4.454,628 4.5,629 4.673,630 4.762,631 4.905,632 4.927,633 4.956,634 7.219,635 0.667,636 523.29,637 3.526,638 5.142,639 5.984,640 6.925,641 7.784,642 8.725,643 9.593,644 10.533,645 11.408,646 12.346,647 10.6,649 1,653 1,655 3,658 2,659 2,660 3,664 1,665 1,666 10,669 1,675 47,676 13,678 33,679 49,680 10,681 5,685 3,686 4,689 3,691 3,692 5,693 5,695 3,698 2,699 1,703 3,705 16,706 16,707 8,708 21,709 4,711 1,712 5,714 0.667,715 12,717 2,720 1,721 3,722 3,725 1,727 2,728 1,730 1,737 6,738 1,739 2,741 1,744 31,745 1,748 6,749 1,752 4,754 4,760 25.5,761 6,762 2,763 4,767 18.417,768 7.35,769 6.319,770 1.996,771 3,773 2.133,774 1.284,775 0.88,776 7.259,777 9.654,778 3.738,779 4.385,780 4.761,781 5.374,782 5.704,783 6.066,784 6.399,785 6.751,786 6.717,787 6.866,788 0.875,789 48,790 24.654,791 20.653,792 8.755,793 20.166,794 17.062,795 3.255,796 100.917,799 113.876,800 69.176,801 85.153,802 298.029,803 60.866,804 28.017,805 392.198,806 85.153,808 4.592,809 266.791,810 168.074,811 12.662,812 14.099,813 58.856,814 41.159,815 94.169,816 113.17,817 298.029,818 60.866,820 94.169,821 40.526,822 257.502,823 27.588,824 35.225,825 70.063,826 41.159,827 94.169,828 383.182,829 69.176,830 19.707,831 19.707,832 94.169,833 10.78,834 19.136,836 422.442,837 94.169,838 383.182,839 88.883,841 0.618,842 0.321,843 0.176,844 0.078,845 26,846 14,847 0.163,848 8,849 1,850 1.143,851 3.948,852 279.058,853 0.143,854 14,855 149.58,858 1,860 25.046,861 8.985,862 6.057,863 0.372,864 381.283,865 2.355,866 11.714,870 0.057,871 1.238,872 266.791,873 566.234,874 41,877 23.355,878 3.967,882 -15.544,883 50.622,884 54.002,885 0.4,886 0.768,887 0.898,888 0.954,889 0.969,890 0.969,891 5.072,892 1.591,893 6.111,894 5.87,895 4.654,896 5.072,897 1.153,898 7.048,899 4.553,900 6.368,901 1.542,902 7.767,903 4.714,904 4.796,905 5.387,907 8.46,908 4.711,909 7.768,910 1.04,911 9.528,912 3.671,913 6.494,914 7.371,915 1.208,916 11.42,917 6.337,918 9.195,919 0.773,920 11.344,921 2.926,922 7.3,923 8.361,925 13.479,926 7.156,927 10.646,928 0.706,929 13.192,930 1.835,931 8.636,932 9.996,933 1.265,934 16.089,935 8.442,936 12.112,937 -0.021,938 15.06,939 1.746,940 9.679,941 11.25,943 18.381,944 9.485,945 13.589,946 -0.199,947 16.94,948 -0.052,949 10.909,950 12.78,951 1.324,952 20.886,953 10.683,954 3.439,955 -0.319,956 18.829,957 -0.679,958 12.041,959 14.153,961 23.273,962 11.808,963 3.298,964 12.198,965 20.725,966 -0.769,967 13.241,968 15.651,969 1.383,970 25.746,971 12.987,972 3.116,973 11.609,974 22.627,975 4.581,976 14.409,977 17.085,979 28.176,980 14.147,981 2.995,982 10.554,983 24.533,984 4.038,985 15.604,986 18.577,987 1.444,988 30.643,989 15.328,990 2.734,991 10.111,992 26.443,993 3.731,994 16.79,995 20.043,997 33.094,998 16.506,999 2.387,1000 8.974,1001 28.356,1002 3.391,1003 17.986,1004 21.537,1005 1.506,1006 35.562,1007 17.694,1008 1.9,1009 7.929,1010 30.272,1011 3.323,1012 19.181,1013 23.023,1015 38.026,1016 18.884,1017 12042,1018 27429,1019 19.879,1020 32.505,1021 51.529,1022 52.896,1023 53.588,1024 50.813,1025 51.042,1026 62.568,1027 2.082,1028 164.274,1029 48.18,1030 5.664,1031 5.591,1032 6.587,1033 5.553,1034 5.439,1035 7.581,1036 2.082,1037 19.908,1038 5.361,1039 23.085,1040 1.561,1041 1.603,1042 1.624,1043 1.54,1044 1.547,1045 1.896,1046 0.063,1047 4.978,1048 1.46,1049 4.105,1050 4.155,1051 4.775,1052 4.094,1053 7.455,1054 3.943,1055 3.836,1056 3.841,1057 4.506,1058 3.905,1059 7.413,1060 3.668,1061 3.748,1062 3.718,1063 4.129,1064 3.85,1065 6.64,1066 3.597,1067 3.533,1068 3.505,1069 4.077,1070 3.6,1071 6.494,1072 3.392,1073 3.338,1074 3.403,1075 3.707,1076 3.475,1077 6.4,1078 3.132,1079 3.241,1080 3.23,1081 3.264,1082 3.08,1083 6.351,1084 3.047,1085 3.056,1086 3.105,1087 2.966,1088 2.857,1089 6.34,1090 2.831,1091 2.989,1092 3.077,1093 2.878,1094 2.679,1095 6.23,1096 2.714,1097 0.142,1098 0.109,1099 0.214,1100 0.134,1101 0.104,1102 4.68,1103 0.139,1104 3.591,1105 0.032,1106 7.058,1107 0.37,1108 4.437,1109 0.104,1110 3.439,1111 4.581,1112 1.041,1113 12.198,1114 3.433,1115 1.797,1116 1.751,1117 1.849,1118 2.008,1119 1.171,1120 1.965,1121 1.625,1122 1.624,1123 1.776,1124 1.824,1125 0.996,1126 1.829,1127 1.551,1128 1.549,1129 1.65,1130 1.785,1131 0.755,1132 1.764,1133 1.49,1134 1.469,1135 1.349,1136 1.539,1137 0.568,1138 1.685,1139 1.301,1140 1.323,1141 1.148,1142 1.435,1143 0.443,1144 1.497,1145 1.12,1146 1.086,1147 1.079,1148 1.298,1149 0.292,1150 1.375,1151 0.98,1152 0.989,1153 0.928,1154 1.223,1155 0.141,1156 1.233,1157 0.81,1158 0.738,1159 0.907,1160 1.148,1162 1.208,1163 4.205,1165 5.617,1166 3.045,1167 7.177,1168 5.476,1169 8.807,1170 7.627,1171 10.478,1174 5.68,1175 56.975,1176 -0.904,1179 17.534,1181 -5.882,1184 31.33,1185 104.462,1186 200.536,1187 234.311,1188 249.066,1189 253.066,1190 253.066,1191 112.319,1192 7.521,1193 262.06,1194 323.58,1195 16,1196 12.854,1197 3.807,1198 3.17,1199 58.378,1200 135,1201 116,1202 0.212,1203 207.648,1204 350.6,1205 498.422,1206 18337,1208 23.19,1209 0.748,1210 0.594,1211 24.44,1212 18.42,1213 14.191,1214 0.43,1215 0.41,1216 8.041,1217 10.96,1218 7.643,1219 6.184,1220 17.2,1221 13.536,1222 15.636,1223 0.301,1224 0.228,1225 20.663,1226 11.863,1227 10.392,1228 0.17,1229 0.135,1230 13.459,1231 8.219,1232 9.688,1233 0.114,1234 0.075,1235 14.187,1236 6.412,1237 5.925,1238 0.067,1239 0.039,1240 7.587,1241 3.489,1242 0.336,1243 120.778,1244 0.224,1245 29.087,1246 0.575,1247 170,1248 772.902,1249 335.917,1250 763.136,1251 988.32,1252 692,1253 198,1254 602.551,1255 398.355,1256 700.101,1257 1052.04,1258 650,1259 5.638}
{0 CHEMBL132722,1 2.094,2 11.903,3 -4.906,4 24.073,5 98.799,6 10.311,7 0.303,8 4.066,9 4.144,10 4.198,11 3.536,12 5.301,13 3.502,14 4.646,15 4.719,16 4.466,17 3.942,18 6.451,19 3.883,20 4.889,21 5.017,22 4.548,23 3.99,24 6.282,25 3.969,26 4.967,27 5.099,28 4.505,29 4.022,30 6.817,31 3.971,32 4.926,33 5.102,34 4.361,35 3.955,36 6.272,37 3.888,38 4.858,39 5.005,40 4.337,41 3.856,42 6.635,43 3.831,44 4.794,45 4.951,46 4.145,47 3.793,48 6.342,49 3.711,50 4.672,51 4.85,52 4.097,53 3.676,54 6.18,55 3.597,56 0.91,57 0.704,58 13.298,59 6.381,60 124.694,61 3.616,62 1.837,63 1.05,64 28.116,65 12.319,66 230.792,67 7.11,68 2.448,69 1.134,70 33.531,71 11.531,72 303.677,73 8.114,74 2.714,75 1.153,76 39.554,77 13.437,78 385.757,79 10.378,80 2.437,81 1.063,82 38.76,83 11.878,84 314.201,85 9.846,86 2.412,87 0.961,88 36.838,89 11.031,90 342.601,91 9.601,92 2.167,93 0.894,94 30.48,95 10.177,96 289.038,97 8.306,98 1.889,99 0.788,100 33.052,101 9.143,102 270.637,103 7.776,104 108,105 52,106 0.356,107 0.712,108 0.855,109 0.906,110 0.92,111 0.92,112 3.472,113 1.204,114 -0.12,115 -0.27,116 -0.45,117 22.4,122 1,123 1,124 3,125 1,134 1,135 1,136 1,144 1,145 1,146 1,147 1,148 1,150 6,151 4,153 7,156 1,157 9,158 1,162 2,163 3,165 6,166 1,167 4,168 1,170 5,173 8,175 1,176 2,177 11,178 3,184 1,187 2,189 3,191 4,194 4,199 3,201 2,202 1,203 9,204 3,206 1,211 5,215 4,216 2,218 1,219 1,225 4,227 3,228 2,230 1,231 1,236 6,239 1,240 8,241 1,243 1,247 1597,248 19.033,249 19.033,250 19.033,251 19.033,252 19.033,253 17.282,254 13.425,255 10.487,256 19.53,257 16.255,258 16.255,259 16.255,260 16.255,261 16.255,262 13.456,263 15.015,264 4.962,265 17.167,266 3.52,267 1.424,268 0.587,269 0.286,270 0.204,271 0.204,272 4.136,276 768,277 5.099,279 168.882,280 92.668,282 140.072,284 1.848,285 83.037,287 0.25,288 0.5,289 0.5,290 0.4,291 0.5,292 0.33,293 0.5,294 0.43,295 75.5,296 369,297 4.68,298 3.591,299 7.058,300 4.437,301 3.439,302 4.581,303 1.041,304 12.198,305 3.433,306 4.641,307 3.445,308 6.924,309 4.222,310 3.298,311 4.038,313 11.609,314 3.105,315 4.392,316 3.158,317 6.594,318 4.109,319 3.116,320 3.731,322 10.554,323 3.039,324 4.143,325 3.104,326 6.525,327 3.936,328 2.995,329 3.391,331 10.111,332 2.808,333 4.07,334 2.754,335 6.092,336 3.732,337 2.734,338 3.323,340 8.974,341 2.725,342 3.66,343 2.587,344 5.891,345 3.313,346 2.387,347 2.918,349 7.929,350 2.202,351 3.058,352 2.241,353 5.236,354 2.826,355 1.9,356 2.324,358 5.87,359 1.75,360 3.029,361 1.969,362 4.787,363 2.483,364 1.591,365 2.11,367 4.714,368 1.415,369 2.731,370 1.549,371 4.144,372 2.444,373 1.542,374 1.76,376 3.671,377 1.386,378 2.413,379 1.365,380 4.069,381 1.945,382 1.04,383 1.386,385 2.926,386 0.937,387 2.101,388 1.232,389 3.791,390 1.667,391 0.773,392 0.995,394 1.835,395 0.689,396 1.756,397 0.883,398 3.353,399 1.565,400 0.706,401 0.727,403 1.746,404 0.601,405 1.099,406 0.58,407 3.3,408 0.863,409 -0.021,410 -0.022,412 -0.052,413 -0.018,414 1,415 -0.149,416 2.992,417 0.765,418 -0.199,419 -0.209,421 -0.679,422 -0.196,423 1,424 -0.188,425 2.73,426 0.587,427 -0.319,428 -0.403,429 -0.769,430 -0.288,431 14.5,432 0.468,433 1.481,434 0.048,435 35.75,436 1.153,437 13,438 0.419,439 22.75,440 0.734,441 29.97,442 0.967,443 37.7,444 0.769,445 34.581,446 1.116,447 6.597,448 0.213,449 7.594,450 0.245,451 0.234,452 0.207,453 0.269,454 1.317,455 1.823,456 0.845,457 1.812,458 1.152,459 0.98,460 0.636,461 1.13,462 0.959,463 1.04,464 0.541,465 0.986,466 1.308,467 1.184,468 0.975,469 1.145,470 1.165,471 1.066,472 0.659,473 0.927,474 0.943,475 0.892,476 0.61,477 1.039,478 1.132,479 0.946,480 0.964,481 0.942,482 1.125,483 1.028,484 0.777,485 0.971,486 0.96,487 0.992,488 0.69,489 1.011,490 1.046,491 0.909,492 1.07,493 0.826,494 1.084,495 1.116,496 1.087,497 1.06,498 1.075,499 1.083,500 1.097,501 1.043,502 11,503 0.333,504 4.444,505 4.299,506 1.833,507 1.42,508 0.981,509 0.585,510 0.511,511 0.375,512 12049,513 58618,514 1.899,515 36.7,517 5,518 3,519 2,520 8,524 1.736,525 1.683,526 3.498,527 5.373,532 102.624,533 2.094,534 4.191,535 5.028,536 5.329,537 5.411,538 5.411,539 2.922,540 4.543,541 4.928,542 3.735,543 1736.98,544 8.602,545 24867.1,549 275.121,550 1.883,551 4.801,552 0.333,553 0.012,554 0.085,555 0.09,556 0.035,557 0.036,558 0.022,559 0.017,560 0.016,561 0.013,562 0.66,563 0.17,564 0.63,565 1.805,566 161.519,567 -0.481,568 -0.358,569 0.24,570 -0.254,571 -0.372,572 0.081,573 0.329,574 0.098,575 -0.069,576 0.081,577 0.31,578 -0.052,579 -0.327,580 -0.138,581 -0.023,582 -0.12,583 -0.273,584 -0.093,585 0.32,586 0.061,587 -0.036,588 0.008,589 0.352,590 -0.082,591 -0.205,592 -0.008,593 0.003,594 -0.032,595 -0.22,596 -0.005,597 0.209,598 -0.034,599 -0.005,600 -0.077,601 0.268,602 -0.012,603 -0.063,604 0.003,605 -0.149,606 0.024,607 -0.116,608 -0.147,609 -0.128,610 -0.14,611 -0.024,612 -0.079,613 -0.111,614 -0.007,615 6.223,616 5.005,617 0.452,618 30.179,619 1.07,620 1.153,621 -1.106,622 1.224,623 0.666,624 3.526,625 3.97,626 4.127,627 4.454,628 4.5,629 4.673,630 4.762,631 4.905,632 4.927,633 4.956,634 7.219,635 0.646,636 505.25,637 3.526,638 5.142,639 5.984,640 6.925,641 7.784,642 8.725,643 9.593,644 10.533,645 11.408,646 12.346,647 10.2,649 1,653 1,655 3,658 2,659 2,660 3,664 1,665 1,666 10,669 1,675 49,676 13,678 33,679 51,680 11,681 5,685 3,686 4,689 3,691 3,692 5,693 6,695 3,698 3,703 3,705 18,706 16,707 8,708 20,709 3,711 1,712 5,714 0.667,715 12,717 2,720 1,721 3,722 1,723 2,725 1,727 2,728 1,730 1,737 6,738 1,739 2,744 31,745 1,748 6,749 2,752 3,754 4,760 24.5,761 6,762 3,763 3,767 18.417,768 7.683,769 6.319,770 2.129,771 1,772 2,773 2.133,774 1.284,775 0.875,776 6.976,777 9.654,778 3.738,779 4.385,780 4.761,781 5.374,782 5.704,783 6.066,784 6.399,785 6.751,786 6.717,787 6.866,788 0.875,789 48,790 16.529,791 11.524,792 8.798,793 20.304,794 17.529,795 3.298,796 102.25,799 136.77,800 28.017,801 85.153,802 315.449,803 19.059,804 28.017,805 433.16,806 85.153,808 4.592,809 282.707,810 168.931,811 12.662,812 37.641,813 58.856,815 117.711,816 113.17,817 315.449,818 19.059,820 117.711,821 60.79,822 254.659,823 27.588,824 35.225,825 69.416,827 117.711,828 400.602,829 28.017,830 19.059,831 19.059,832 117.711,833 10.78,834 19.136,836 398.702,837 117.711,838 400.602,839 47.076,841 0.618,842 0.321,843 0.176,844 0.078,845 26,846 14,847 0.157,848 8,849 1,850 1.143,851 3.948,852 279.058,853 0.143,854 14,855 151.58,860 24.677,861 8.764,862 5.89,863 0.38,864 398.702,865 2.362,866 11.721,870 0.059,871 1.246,872 266.791,873 565.389,874 41,877 34.262,882 -15.553,883 52.429,884 56.497,885 0.373,886 0.746,887 0.895,888 0.949,889 0.964,890 0.964,891 5.072,892 1.591,893 6.111,894 5.87,895 4.654,896 5.072,897 1.153,898 7.048,899 4.553,900 6.368,901 1.542,902 7.767,903 4.714,904 4.796,905 5.387,907 8.46,908 4.711,909 7.768,910 1.04,911 9.528,912 3.671,913 6.494,914 7.371,915 1.208,916 11.42,917 6.337,918 9.195,919 0.773,920 11.344,921 2.926,922 7.3,923 8.361,925 13.479,926 7.156,927 10.646,928 0.706,929 13.192,930 1.835,931 8.636,932 9.996,933 1.265,934 16.089,935 8.442,936 12.112,937 -0.021,938 15.06,939 1.746,940 9.679,941 11.25,943 18.381,944 9.485,945 13.589,946 -0.199,947 16.94,948 -0.052,949 10.909,950 12.78,951 1.324,952 20.886,953 10.683,954 3.439,955 -0.319,956 18.829,957 -0.679,958 12.041,959 14.153,961 23.273,962 11.808,963 3.298,964 12.198,965 20.725,966 -0.769,967 13.241,968 15.651,969 1.383,970 25.746,971 12.987,972 3.116,973 11.609,974 22.627,975 4.581,976 14.409,977 17.085,979 28.176,980 14.147,981 2.995,982 10.554,983 24.533,984 4.038,985 15.604,986 18.577,987 1.444,988 30.643,989 15.328,990 2.734,991 10.111,992 26.443,993 3.731,994 16.79,995 20.043,997 33.094,998 16.506,999 2.387,1000 8.974,1001 28.356,1002 3.391,1003 17.986,1004 21.537,1005 1.506,1006 35.562,1007 17.694,1008 1.9,1009 7.929,1010 30.272,1011 3.323,1012 19.181,1013 23.023,1015 38.026,1016 18.884,1017 12042,1018 26737,1019 19.879,1020 32.619,1021 51.529,1022 52.896,1023 53.588,1024 50.813,1025 51.042,1026 62.568,1027 2.082,1028 164.274,1029 48.18,1030 5.664,1031 5.591,1032 6.587,1033 5.553,1034 5.439,1035 7.581,1036 2.082,1037 19.908,1038 5.361,1039 23.085,1040 1.561,1041 1.603,1042 1.624,1043 1.54,1044 1.547,1045 1.896,1046 0.063,1047 4.978,1048 1.46,1049 4.105,1050 4.156,1051 4.673,1052 4.151,1053 7.484,1054 3.945,1055 3.884,1056 3.881,1057 4.391,1058 3.9,1059 7.437,1060 3.761,1061 3.777,1062 3.788,1063 4.086,1064 3.786,1065 7.41,1066 3.614,1067 3.57,1068 3.54,1069 4.065,1070 3.598,1071 6.495,1072 3.379,1073 3.351,1074 3.42,1075 3.707,1076 3.441,1077 6.437,1078 3.136,1079 3.26,1080 3.262,1081 3.264,1082 3.081,1083 6.4,1084 3.038,1085 3.06,1086 3.106,1087 2.967,1088 2.861,1089 6.348,1090 2.834,1091 2.989,1092 3.081,1093 2.878,1094 2.679,1095 6.34,1096 2.715,1097 0.142,1098 0.109,1099 0.214,1100 0.134,1101 0.104,1102 4.68,1103 0.139,1104 3.591,1105 0.032,1106 7.058,1107 0.37,1108 4.437,1109 0.104,1110 3.439,1111 4.581,1112 1.041,1113 12.198,1114 3.433,1115 1.797,1116 1.751,1117 1.849,1118 2.008,1119 1.198,1120 1.965,1121 1.748,1122 1.748,1123 1.777,1124 1.828,1125 1.14,1126 1.898,1127 1.592,1128 1.56,1129 1.651,1130 1.791,1131 0.987,1132 1.79,1133 1.499,1134 1.463,1135 1.45,1136 1.649,1137 0.751,1138 1.733,1139 1.328,1140 1.348,1141 1.339,1142 1.46,1143 0.433,1144 1.557,1145 1.134,1146 1.093,1147 1.147,1148 1.384,1149 0.267,1150 1.407,1151 0.977,1152 0.984,1153 1.071,1154 1.227,1155 0.153,1156 1.246,1157 0.811,1158 0.74,1159 0.919,1160 1.182,1162 1.209,1163 4.205,1165 5.617,1166 3.045,1167 7.177,1168 5.476,1169 8.807,1170 7.627,1171 10.478,1174 5.681,1175 56.659,1176 -2.468,1179 13.696,1181 -5.795,1184 31.67,1185 102.624,1186 205.346,1187 246.366,1188 261.121,1189 265.121,1190 265.121,1191 107.842,1192 7.521,1193 269.9,1194 299.33,1195 16,1196 12.854,1197 3.807,1198 3.17,1199 58.378,1200 135,1201 116,1202 0.212,1203 206.11,1204 349.39,1205 494.668,1206 18337,1208 23.19,1209 0.748,1210 0.577,1211 23.94,1212 17.902,1213 14.191,1214 0.43,1215 0.401,1216 8.335,1217 11.128,1218 7.891,1219 6.369,1220 16.825,1221 13.243,1222 15.636,1223 0.301,1224 0.231,1225 19.648,1226 11.987,1227 10.392,1228 0.17,1229 0.153,1230 13.26,1231 9.314,1232 9.688,1233 0.114,1234 0.086,1235 13.649,1236 7.316,1237 5.925,1238 0.067,1239 0.048,1240 7.481,1241 4.269,1242 0.336,1243 118.071,1244 0.224,1245 29.087,1246 0.575,1247 170,1248 758.041,1249 313.005,1250 727.675,1251 936.96,1252 660,1253 198,1254 576.796,1255 371.347,1256 656.296,1257 976.16,1258 610,1259 6.699}
{0 CHEMBL133463,1 2.094,2 11.903,3 -4.906,4 24.073,5 98.799,6 10.311,7 0.303,8 4.066,9 4.144,10 4.198,11 3.536,12 5.301,13 3.502,14 4.646,15 4.719,16 4.466,17 3.942,18 6.443,19 3.883,20 4.889,21 5.016,22 4.551,23 3.983,24 6.293,25 3.965,26 4.972,27 5.106,28 4.507,29 3.996,30 6.829,31 3.956,32 4.894,33 5.055,34 4.365,35 3.916,36 6.27,37 3.864,38 4.813,39 4.946,40 4.343,41 3.824,42 6.637,43 3.807,44 4.778,45 4.938,46 4.141,47 3.769,48 6.337,49 3.69,50 4.631,51 4.796,52 4.089,53 3.675,54 6.137,55 3.599,56 0.91,57 0.704,58 13.298,59 6.381,60 124.694,61 3.616,62 1.837,63 1.05,64 28.116,65 12.319,66 230.562,67 7.11,68 2.437,69 1.125,70 33.32,71 11.525,72 310.901,73 8.123,74 2.79,75 1.117,76 41.096,77 13.297,78 387.811,79 10.081,80 2.45,81 1.018,82 36.814,83 11.266,84 295.592,85 8.75,86 2.318,87 0.928,88 33.652,89 10.554,90 330.912,91 8.951,92 2.168,93 0.868,94 31.297,95 9.994,96 280.13,97 8.127,98 1.77,99 0.783,100 30.237,101 9.012,102 256.431,103 7.394,104 108,105 52,106 0.356,107 0.712,108 0.852,109 0.903,110 0.92,111 0.92,112 3.472,113 1.204,114 -0.12,115 -0.27,116 -0.45,117 22.4,122 1,123 1,124 3,125 1,134 1,135 1,136 1,144 1,145 1,146 1,147 1,148 1,150 6,151 4,153 8,156 1,157 8,158 1,162 2,163 3,165 6,166 1,167 4,168 1,170 5,173 7,175 1,176 2,177 12,178 3,184 1,187 3,189 3,191 4,194 4,199 3,201 2,202 1,203 10,204 3,206 1,211 5,215 5,216 2,218 1,219 1,225 4,227 2,228 2,230 1,231 1,236 7,239 1,240 7,241 1,243 1,247 1597,248 19.033,249 19.033,250 19.033,251 19.033,252 19.033,253 17.282,254 13.425,255 10.487,256 19.53,257 16.255,258 16.255,259 16.255,260 16.255,261 16.255,262 13.456,263 15.015,264 4.962,265 17.167,266 3.52,267 1.424,268 0.602,269 0.301,270 0.204,271 0.204,272 4.136,276 768,277 5.099,279 168.882,280 92.668,282 140.072,284 1.848,285 83.605,287 0.25,288 0.5,289 0.5,290 0.4,291 0.5,292 0.33,293 0.5,294 0.43,295 75.5,296 369,297 4.68,298 3.591,299 7.058,300 4.437,301 3.439,302 4.581,303 1.041,304 12.198,305 3.433,306 4.641,307 3.445,308 6.924,309 4.222,310 3.298,311 4.038,313 11.609,314 3.105,315 4.392,316 3.158,317 6.594,318 4.109,319 3.116,320 3.731,322 10.554,323 3.039,324 4.143,325 3.104,326 6.525,327 3.936,328 2.995,329 3.391,331 10.111,332 2.808,333 4.07,334 2.754,335 6.092,336 3.732,337 2.734,338 3.323,340 8.974,341 2.725,342 3.66,343 2.587,344 5.891,345 3.313,346 2.387,347 2.918,349 7.929,350 2.202,351 3.058,352 2.241,353 5.236,354 2.826,355 1.9,356 2.324,358 5.87,359 1.75,360 3.029,361 1.969,362 4.787,363 2.483,364 1.591,365 2.11,367 4.714,368 1.415,369 2.731,370 1.549,371 4.144,372 2.444,373 1.542,374 1.76,376 3.671,377 1.386,378 2.413,379 1.365,380 4.069,381 1.945,382 1.04,383 1.386,385 2.926,386 0.937,387 2.101,388 1.232,389 3.791,390 1.667,391 0.773,392 0.995,394 1.835,395 0.689,396 1.756,397 0.883,398 3.353,399 1.565,400 0.706,401 0.727,403 1.746,404 0.601,405 1.099,406 0.58,407 3.3,408 0.863,409 -0.021,410 -0.022,412 -0.052,413 -0.018,414 1,415 -0.149,416 2.992,417 0.765,418 -0.199,419 -0.209,421 -0.679,422 -0.196,423 1,424 -0.188,425 2.73,426 0.587,427 -0.319,428 -0.403,429 -0.769,430 -0.288,431 14.5,432 0.468,433 1.481,434 0.048,435 35.75,436 1.153,437 13,438 0.419,439 22.75,440 0.734,441 29.889,442 0.964,443 37.7,444 0.769,445 34.663,446 1.118,447 6.594,448 0.213,449 7.597,450 0.245,451 0.234,452 0.207,453 0.269,454 1.317,455 1.823,456 0.845,457 1.812,458 1.152,459 0.98,460 0.636,461 1.13,462 0.959,463 1.04,464 0.555,465 0.986,466 1.302,467 1.214,468 0.969,469 1.161,470 1.202,471 1.084,472 0.72,473 0.884,474 0.942,475 0.866,476 0.616,477 0.974,478 1.219,479 0.919,480 1.01,481 0.949,482 1.153,483 1.005,484 0.741,485 1.042,486 0.976,487 1.057,488 0.698,489 1.065,490 1.045,491 0.811,492 1.056,493 0.792,494 1.046,495 1.03,496 1.139,497 1.158,498 1.116,499 1.158,500 1.107,501 1.124,502 11,503 0.333,504 4.444,505 4.299,506 1.833,507 1.42,508 0.981,509 0.585,510 0.511,511 0.375,512 12049,513 58042,514 1.899,515 36.7,517 5,518 3,519 2,520 8,524 1.736,525 1.683,526 3.498,527 5.373,532 102.624,533 2.094,534 4.191,535 5.012,536 5.314,537 5.411,538 5.411,539 2.922,540 4.543,541 4.928,542 3.735,543 1736.98,544 8.602,545 24867.1,549 275.121,550 1.883,551 4.801,552 0.333,553 0.012,554 0.085,555 0.09,556 0.035,557 0.036,558 0.022,559 0.017,560 0.016,561 0.013,562 0.66,563 0.17,564 0.63,565 1.805,566 161.519,567 -0.481,568 -0.358,569 0.24,570 -0.254,571 -0.372,572 0.081,573 0.329,574 0.098,575 -0.069,576 0.081,577 0.296,578 -0.052,579 -0.32,580 -0.169,581 -0.017,582 -0.136,583 -0.287,584 -0.111,585 0.291,586 0.07,587 -0.019,588 0.029,589 0.349,590 -0.027,591 -0.243,592 0.02,593 -0.043,594 -0.021,595 -0.25,596 -0.016,597 0.259,598 -0.075,599 -0.03,600 -0.115,601 0.288,602 -0.083,603 -0.045,604 0.084,605 -0.117,606 0.064,607 -0.09,608 -0.064,609 -0.181,610 -0.197,611 -0.078,612 -0.121,613 -0.127,614 -0.089,615 6.115,616 4.863,617 0.452,618 30.179,619 1.07,620 1.153,621 -1.106,622 1.224,623 0.666,624 3.526,625 3.97,626 4.127,627 4.454,628 4.5,629 4.673,630 4.762,631 4.905,632 4.927,633 4.956,634 7.219,635 0.646,636 505.25,637 3.526,638 5.142,639 5.984,640 6.925,641 7.784,642 8.725,643 9.593,644 10.533,645 11.408,646 12.346,647 10.2,649 1,653 1,655 3,658 2,659 2,660 3,664 1,665 1,666 10,669 1,675 49,676 13,678 33,679 51,680 11,681 5,685 3,686 4,689 3,691 3,692 5,693 6,695 3,698 3,703 3,705 18,706 16,707 8,708 20,709 3,711 1,712 5,714 0.667,715 12,717 2,720 1,721 3,722 1,723 2,725 1,727 2,728 1,730 1,737 6,738 1,739 2,744 31,745 1,748 6,749 2,752 3,754 4,760 24.5,761 6,762 3,763 3,767 18.417,768 7.683,769 6.319,770 2.129,771 1,772 2,773 2.133,774 1.284,775 0.875,776 6.976,777 9.654,778 3.738,779 4.385,780 4.761,781 5.374,782 5.704,783 6.066,784 6.399,785 6.751,786 6.717,787 6.866,788 0.875,789 48,790 15.499,791 10.425,792 8.798,793 20.304,794 17.529,795 3.298,796 102.25,799 136.77,800 28.017,801 85.153,802 315.449,803 19.059,804 28.017,805 433.16,806 85.153,808 4.592,809 275.997,810 175.641,811 12.662,812 37.641,813 58.856,815 117.711,816 113.17,817 315.449,818 19.059,820 117.711,821 60.79,822 254.659,823 27.588,824 35.225,825 69.416,827 117.711,828 400.602,829 28.017,830 19.059,831 19.059,832 117.711,833 10.78,834 19.136,836 398.702,837 117.711,838 400.602,839 47.076,841 0.618,842 0.321,843 0.176,844 0.078,845 26,846 14,847 0.157,848 8,849 1,850 1.143,851 3.948,852 279.058,853 0.143,854 14,855 151.58,860 24.677,861 8.764,862 5.89,863 0.365,864 398.702,865 2.349,866 11.705,870 0.054,871 1.234,872 266.791,873 565.389,874 41,877 34.262,882 -15.553,883 52.429,884 56.497,885 0.373,886 0.746,887 0.893,888 0.946,889 0.964,890 0.964,891 5.072,892 1.591,893 6.111,894 5.87,895 4.654,896 5.072,897 1.153,898 7.048,899 4.553,900 6.368,901 1.542,902 7.767,903 4.714,904 4.796,905 5.387,907 8.46,908 4.711,909 7.768,910 1.04,911 9.528,912 3.671,913 6.494,914 7.371,915 1.208,916 11.42,917 6.337,918 9.195,919 0.773,920 11.344,921 2.926,922 7.3,923 8.361,925 13.479,926 7.156,927 10.646,928 0.706,929 13.192,930 1.835,931 8.636,932 9.996,933 1.265,934 16.089,935 8.442,936 12.112,937 -0.021,938 15.06,939 1.746,940 9.679,941 11.25,943 18.381,944 9.485,945 13.589,946 -0.199,947 16.94,948 -0.052,949 10.909,950 12.78,951 1.324,952 20.886,953 10.683,954 3.439,955 -0.319,956 18.829,957 -0.679,958 12.041,959 14.153,961 23.273,962 11.808,963 3.298,964 12.198,965 20.725,966 -0.769,967 13.241,968 15.651,969 1.383,970 25.746,971 12.987,972 3.116,973 11.609,974 22.627,975 4.581,976 14.409,977 17.085,979 28.176,980 14.147,981 2.995,982 10.554,983 24.533,984 4.038,985 15.604,986 18.577,987 1.444,988 30.643,989 15.328,990 2.734,991 10.111,992 26.443,993 3.731,994 16.79,995 20.043,997 33.094,998 16.506,999 2.387,1000 8.974,1001 28.356,1002 3.391,1003 17.986,1004 21.537,1005 1.506,1006 35.562,1007 17.694,1008 1.9,1009 7.929,1010 30.272,1011 3.323,1012 19.181,1013 23.023,1015 38.026,1016 18.884,1017 12042,1018 26593,1019 19.879,1020 32.619,1021 51.529,1022 52.896,1023 53.588,1024 50.813,1025 51.042,1026 62.568,1027 2.082,1028 164.274,1029 48.18,1030 5.664,1031 5.591,1032 6.587,1033 5.553,1034 5.439,1035 7.581,1036 2.082,1037 19.908,1038 5.361,1039 23.085,1040 1.561,1041 1.603,1042 1.624,1043 1.54,1044 1.547,1045 1.896,1046 0.063,1047 4.978,1048 1.46,1049 4.105,1050 4.156,1051 4.672,1052 4.148,1053 7.476,1054 3.944,1055 3.875,1056 3.868,1057 4.392,1058 3.902,1059 7.445,1060 3.75,1061 3.79,1062 3.806,1063 4.085,1064 3.796,1065 7.409,1066 3.63,1067 3.574,1068 3.552,1069 4.065,1070 3.588,1071 6.495,1072 3.386,1073 3.341,1074 3.408,1075 3.707,1076 3.441,1077 6.435,1078 3.122,1079 3.256,1080 3.246,1081 3.264,1082 3.08,1083 6.4,1084 3.035,1085 3.059,1086 3.106,1087 2.966,1088 2.857,1089 6.351,1090 2.833,1091 2.989,1092 3.085,1093 2.878,1094 2.679,1095 6.34,1096 2.714,1097 0.142,1098 0.109,1099 0.214,1100 0.134,1101 0.104,1102 4.68,1103 0.139,1104 3.591,1105 0.032,1106 7.058,1107 0.37,1108 4.437,1109 0.104,1110 3.439,1111 4.581,1112 1.041,1113 12.198,1114 3.433,1115 1.797,1116 1.751,1117 1.849,1118 2.008,1119 1.172,1120 1.965,1121 1.735,1122 1.737,1123 1.776,1124 1.824,1125 1.146,1126 1.882,1127 1.609,1128 1.58,1129 1.65,1130 1.786,1131 0.996,1132 1.808,1133 1.518,1134 1.48,1135 1.456,1136 1.667,1137 0.754,1138 1.751,1139 1.311,1140 1.323,1141 1.348,1142 1.476,1143 0.456,1144 1.539,1145 1.115,1146 1.08,1147 1.148,1148 1.345,1149 0.288,1150 1.385,1151 0.985,1152 0.991,1153 1.078,1154 1.225,1155 0.132,1156 1.255,1157 0.811,1158 0.738,1159 0.918,1160 1.18,1162 1.21,1163 4.205,1165 5.617,1166 3.045,1167 7.177,1168 5.476,1169 8.807,1170 7.627,1171 10.478,1174 5.677,1175 56.773,1176 -2.613,1179 13.884,1181 -5.89,1184 31.67,1185 102.624,1186 205.346,1187 245.611,1188 260.366,1189 265.121,1190 265.121,1191 107.743,1192 7.521,1193 269.9,1194 299.33,1195 16,1196 12.854,1197 3.807,1198 3.17,1199 58.378,1200 135,1201 116,1202 0.212,1203 206.11,1204 349.39,1205 494.668,1206 18337,1208 23.19,1209 0.748,1210 0.577,1211 23.94,1212 17.902,1213 14.191,1214 0.43,1215 0.401,1216 8.335,1217 11.129,1218 7.89,1219 6.371,1220 16.825,1221 13.243,1222 15.636,1223 0.301,1224 0.231,1225 19.648,1226 12.003,1227 10.392,1228 0.17,1229 0.151,1230 13.26,1231 9.219,1232 9.688,1233 0.114,1234 0.084,1235 13.649,1236 7.111,1237 5.925,1238 0.067,1239 0.045,1240 7.481,1241 3.98,1242 0.336,1243 118.071,1244 0.224,1245 29.087,1246 0.575,1247 170,1248 758.041,1249 313.005,1250 727.798,1251 937.04,1252 660,1253 198,1254 576.796,1255 371.68,1256 656.648,1257 977.04,1258 610,1259 5.699}
{0 CHEMBL14249,1 2.114,2 11.903,3 -4.451,4 19.811,5 96.653,6 10.792,7 0.303,8 4.044,9 4.111,10 4.221,11 3.445,12 5.302,13 3.465,14 4.629,15 4.678,16 4.486,17 3.845,18 6.544,19 3.829,20 4.779,21 4.9,22 4.547,23 3.909,24 6.169,25 3.91,26 4.932,27 5.042,28 4.517,29 3.935,30 6.856,31 3.924,32 4.841,33 5.001,34 4.361,35 3.88,36 6.216,37 3.832,38 4.791,39 4.913,40 4.346,41 3.779,42 6.639,43 3.782,44 4.74,45 4.882,46 4.151,47 3.714,48 6.346,49 3.656,50 4.584,51 4.733,52 4.101,53 3.597,54 6.154,55 3.546,56 1.015,57 0.639,58 12.512,59 5.855,60 128.92,61 2.824,62 2.017,63 0.959,64 21.344,65 10.493,66 220.401,67 5.79,68 2.274,69 1.033,70 28.033,71 10.543,72 265.14,73 7.063,74 2.834,75 1.04,76 33.663,77 11.95,78 375.263,79 8.54,80 2.436,81 0.96,82 33.395,83 10.846,84 285.491,85 8.179,86 2.412,87 0.861,88 31.689,89 10.106,90 330.316,91 7.935,92 2.262,93 0.796,94 27.741,95 9.389,96 280.18,97 6.859,98 1.879,99 0.695,100 27.574,101 8.411,102 259.483,103 6.321,104 108,105 52,106 0.362,107 0.711,108 0.823,109 0.894,110 0.923,111 0.923,112 3.472,113 1.131,114 -1.58,115 -1.65,116 -1.69,117 21.3,122 1,124 3,125 1,134 1,135 1,136 1,144 1,145 1,146 1,147 1,148 1,150 8,151 4,153 11,156 1,157 11,158 1,162 2,163 3,165 7,166 1,167 4,168 1,170 5,173 9,175 1,176 2,177 13,178 3,184 1,187 3,189 3,191 4,194 4,199 3,201 2,202 1,203 10,204 3,206 1,211 6,215 5,216 2,218 1,219 1,225 4,227 3,228 2,230 1,231 1,236 8,239 1,240 8,241 1,243 1,247 1597,248 19.033,249 19.033,250 19.033,251 19.033,252 19.033,253 17.282,254 13.425,255 10.487,256 19.53,257 16.255,258 16.255,259 16.255,260 16.255,261 16.255,262 13.456,263 15.015,264 4.962,265 17.167,266 3.44,267 1.405,268 0.756,269 0.34,270 0.17,271 0.17,272 4.136,276 768,277 5.099,279 168.882,280 92.668,282 140.072,284 1.848,285 80.21,287 0.25,288 0.5,289 0.5,290 0.5,291 0.5,292 0.33,293 0.5,294 0.44,295 76.5,296 369,297 4.68,298 3.591,299 7.058,300 4.437,301 3.439,302 4.581,303 1.041,304 12.198,305 3.433,306 4.641,307 3.445,308 6.924,309 4.222,310 3.298,311 4.038,313 11.609,314 3.105,315 4.392,316 3.158,317 6.594,318 4.109,319 3.116,320 3.731,322 10.554,323 3.039,324 4.143,325 3.104,326 6.525,327 3.936,328 2.995,329 3.391,331 10.111,332 2.808,333 4.07,334 2.754,335 6.092,336 3.732,337 2.734,338 3.323,340 8.974,341 2.725,342 3.66,343 2.587,344 5.891,345 3.313,346 2.387,347 2.918,349 7.929,350 2.202,351 3.058,352 2.241,353 5.236,354 2.826,355 1.9,356 2.324,358 5.87,359 1.75,360 3.029,361 1.969,362 4.787,363 2.483,364 1.591,365 2.11,367 4.714,368 1.415,369 2.731,370 1.549,371 4.144,372 2.444,373 1.542,374 1.76,376 3.671,377 1.386,378 2.413,379 1.365,380 4.069,381 1.945,382 1.04,383 1.386,385 2.926,386 0.937,387 2.101,388 1.232,389 3.791,390 1.667,391 0.773,392 0.995,394 1.835,395 0.689,396 1.756,397 0.883,398 3.353,399 1.565,400 0.706,401 0.727,403 1.746,404 0.601,405 1.099,406 0.58,407 3.3,408 0.863,409 -0.021,410 -0.022,412 -0.052,413 -0.018,414 1,415 -0.149,416 2.992,417 0.765,418 -0.199,419 -0.209,421 -0.679,422 -0.196,423 1,424 -0.188,425 2.73,426 0.587,427 -0.319,428 -0.403,429 -0.769,430 -0.288,431 14.333,432 0.462,433 1.481,434 0.048,435 36.25,436 1.169,437 13,438 0.419,439 23.25,440 0.75,441 28.796,442 0.929,443 37.867,444 0.806,445 35.756,446 1.153,447 6.88,448 0.222,449 7.311,450 0.236,451 0.237,452 0.209,453 0.272,454 1.409,455 1.953,456 0.809,457 1.968,458 1.208,459 0.994,460 0.494,461 0.92,462 0.696,463 0.67,464 0.459,465 0.856,466 1.162,467 1.337,468 0.91,469 1.281,470 0.994,471 1.106,472 0.675,473 0.848,474 0.896,475 0.763,476 0.609,477 1.004,478 1.107,479 0.972,480 0.99,481 0.981,482 1.06,483 1.041,484 0.795,485 1.035,486 1.018,487 1.049,488 0.73,489 1.074,490 1.071,491 0.81,492 1.116,493 0.796,494 1.097,495 1.07,496 1.138,497 1.203,498 1.152,499 1.193,500 1.146,501 1.155,502 11,503 0.333,504 4.444,505 4.299,506 1.833,507 1.42,508 0.981,509 0.585,510 0.511,511 0.375,512 12049,513 61402,514 1.899,515 34,517 5,518 1,519 2,520 8,524 1.736,525 1.683,526 3.498,527 5.404,532 99.376,533 2.114,534 4.15,535 4.799,536 5.214,537 5.384,538 5.384,539 2.922,540 4.543,541 4.928,542 3.735,543 1736.98,544 8.602,545 24867.1,549 261.066,550 1.883,551 4.801,552 0.333,553 0.012,554 0.085,555 0.09,556 0.035,557 0.036,558 0.022,559 0.017,560 0.016,561 0.013,562 0.66,563 0.17,564 0.63,565 1.805,566 161.519,567 -0.562,568 -0.488,569 0.265,570 -0.406,571 -0.422,572 0.048,573 0.486,574 0.228,575 0.048,576 0.227,577 0.39,578 -0.008,579 -0.256,580 -0.224,581 0.058,582 -0.202,583 -0.193,584 -0.091,585 0.318,586 0.105,587 -0.032,588 0.061,589 0.364,590 -0.08,591 -0.188,592 -0.008,594 -0.04,595 -0.202,596 0.001,597 0.194,598 -0.076,599 -0.062,600 -0.109,601 0.257,602 -0.081,603 -0.075,604 0.083,605 -0.17,606 0.064,607 -0.132,608 -0.101,609 -0.171,610 -0.246,611 -0.088,612 -0.139,613 -0.146,614 -0.106,615 6.506,616 4.783,617 0.452,618 30.179,619 1.082,620 1.155,621 0.351,622 0.123,623 0.666,624 3.526,625 3.97,626 4.127,627 4.454,628 4.5,629 4.673,630 4.762,631 4.905,632 4.927,633 4.956,634 7.219,635 0.657,636 507.22,637 3.526,638 5.142,639 5.984,640 6.925,641 7.784,642 8.725,643 9.593,644 10.533,645 11.408,646 12.346,647 10.6,649 1,653 1,655 3,658 2,659 2,660 3,664 1,665 1,666 10,669 1,675 47,676 13,678 33,679 49,680 10,681 5,685 3,686 4,689 3,691 3,692 5,693 5,695 3,698 3,703 3,705 16,706 17,707 8,708 21,709 3,711 1,712 5,714 0.667,715 13,717 2,720 1,721 3,722 3,725 1,727 2,728 1,730 1,737 6,738 1,739 2,744 31,745 1,748 6,749 1,752 4,754 4,760 27.7,761 6,762 3,763 4,767 18.417,768 7.35,769 6.319,770 1.996,771 3,773 2.133,774 1.284,775 0.877,776 6.948,777 9.654,778 3.738,779 4.385,780 4.761,781 5.374,782 5.704,783 6.066,784 6.399,785 6.751,786 6.717,787 6.866,788 0.875,789 48,790 13.669,791 4.844,792 8.863,793 20.022,794 16.901,795 3.363,796 104.25,799 117.019,800 28.017,801 85.153,802 318.292,803 22.85,804 28.017,805 412.461,806 85.153,808 4.592,809 266.791,810 191.481,811 12.662,812 14.099,813 58.856,815 94.169,816 113.17,817 318.292,818 22.85,820 94.169,821 60.79,822 257.502,823 27.588,824 35.225,825 73.207,827 94.169,828 403.445,829 28.017,830 22.85,831 22.85,832 94.169,833 10.78,834 19.136,836 401.546,837 94.169,838 403.445,839 50.867,841 0.618,842 0.321,843 0.176,844 0.078,845 26,846 14,847 0.163,848 8,849 1,850 1.143,851 3.948,852 279.058,853 0.143,854 14,855 151.58,860 24.639,861 8.741,862 5.873,863 0.335,864 401.546,865 2.321,866 11.667,870 0.043,871 1.214,872 266.791,873 548.481,874 41,877 33.738,882 -16.678,883 50.873,884 54.291,885 0.381,886 0.747,887 0.864,888 0.939,889 0.969,890 0.969,891 5.072,892 1.591,893 6.111,894 5.87,895 4.654,896 5.072,897 1.153,898 7.048,899 4.553,900 6.368,901 1.542,902 7.767,903 4.714,904 4.796,905 5.387,907 8.46,908 4.711,909 7.768,910 1.04,911 9.528,912 3.671,913 6.494,914 7.371,915 1.208,916 11.42,917 6.337,918 9.195,919 0.773,920 11.344,921 2.926,922 7.3,923 8.361,925 13.479,926 7.156,927 10.646,928 0.706,929 13.192,930 1.835,931 8.636,932 9.996,933 1.265,934 16.089,935 8.442,936 12.112,937 -0.021,938 15.06,939 1.746,940 9.679,941 11.25,943 18.381,944 9.485,945 13.589,946 -0.199,947 16.94,948 -0.052,949 10.909,950 12.78,951 1.324,952 20.886,953 10.683,954 3.439,955 -0.319,956 18.829,957 -0.679,958 12.041,959 14.153,961 23.273,962 11.808,963 3.298,964 12.198,965 20.725,966 -0.769,967 13.241,968 15.651,969 1.383,970 25.746,971 12.987,972 3.116,973 11.609,974 22.627,975 4.581,976 14.409,977 17.085,979 28.176,980 14.147,981 2.995,982 10.554,983 24.533,984 4.038,985 15.604,986 18.577,987 1.444,988 30.643,989 15.328,990 2.734,991 10.111,992 26.443,993 3.731,994 16.79,995 20.043,997 33.094,998 16.506,999 2.387,1000 8.974,1001 28.356,1002 3.391,1003 17.986,1004 21.537,1005 1.506,1006 35.562,1007 17.694,1008 1.9,1009 7.929,1010 30.272,1011 3.323,1012 19.181,1013 23.023,1015 38.026,1016 18.884,1017 12042,1018 27429,1019 19.879,1020 31.312,1021 51.529,1022 52.896,1023 53.588,1024 50.813,1025 51.042,1026 62.568,1027 2.082,1028 164.274,1029 48.18,1030 5.664,1031 5.591,1032 6.587,1033 5.553,1034 5.439,1035 7.581,1036 2.082,1037 19.908,1038 5.361,1039 23.085,1040 1.561,1041 1.603,1042 1.624,1043 1.54,1044 1.547,1045 1.896,1046 0.063,1047 4.978,1048 1.46,1049 4.105,1050 4.155,1051 4.655,1052 4.016,1053 7.486,1054 3.943,1055 3.838,1056 3.842,1057 4.384,1058 3.898,1059 7.445,1060 3.661,1061 3.756,1062 3.728,1063 4.085,1064 3.76,1065 7.41,1066 3.576,1067 3.552,1068 3.523,1069 4.064,1070 3.588,1071 6.495,1072 3.351,1073 3.341,1074 3.407,1075 3.707,1076 3.436,1077 6.437,1078 3.122,1079 3.252,1080 3.242,1081 3.264,1082 3.08,1083 6.4,1084 3.03,1085 3.056,1086 3.105,1087 2.966,1088 2.857,1089 6.351,1090 2.83,1091 2.989,1092 3.078,1093 2.878,1094 2.679,1095 6.34,1096 2.714,1097 0.142,1098 0.109,1099 0.214,1100 0.134,1101 0.104,1102 4.68,1103 0.139,1104 3.591,1105 0.032,1106 7.058,1107 0.37,1108 4.437,1109 0.104,1110 3.439,1111 4.581,1112 1.041,1113 12.198,1114 3.433,1115 1.797,1116 1.751,1117 1.849,1118 2.008,1119 1.171,1120 1.965,1121 1.624,1122 1.619,1123 1.776,1124 1.824,1125 0.996,1126 1.83,1127 1.546,1128 1.54,1129 1.65,1130 1.785,1131 0.755,1132 1.766,1133 1.481,1134 1.462,1135 1.349,1136 1.563,1137 0.524,1138 1.702,1139 1.284,1140 1.303,1141 1.148,1142 1.46,1143 0.421,1144 1.521,1145 1.115,1146 1.079,1147 1.079,1148 1.34,1149 0.217,1150 1.385,1151 0.972,1152 0.983,1153 0.958,1154 1.225,1155 0.12,1156 1.242,1157 0.809,1158 0.738,1159 0.916,1160 1.171,1162 1.209,1163 4.205,1165 5.617,1166 3.045,1167 7.177,1168 5.476,1169 8.807,1170 7.627,1171 10.478,1174 5.667,1175 55.982,1176 -0.956,1179 16.929,1181 -6.012,1184 30.858,1185 99.376,1186 195.027,1187 225.556,1188 245.066,1189 253.066,1190 253.066,1191 110.384,1192 7.521,1193 279.13,1194 308.56,1195 16,1196 12.854,1197 3.807,1198 3.17,1199 58.378,1200 135,1201 116,1202 0.212,1203 200.514,1204 340.88,1205 481.013,1206 18337,1208 23.19,1209 0.748,1210 0.568,1211 23.94,1212 17.603,1213 14.191,1214 0.43,1215 0.377,1216 7.989,1217 11.066,1218 7.643,1219 6.184,1220 16.825,1221 12.441,1222 15.636,1223 0.301,1224 0.201,1225 19.648,1226 10.436,1227 10.392,1228 0.17,1229 0.125,1230 13.26,1231 7.619,1232 9.688,1233 0.114,1234 0.067,1235 13.649,1236 5.654,1237 5.925,1238 0.067,1239 0.036,1240 7.481,1241 3.161,1242 0.336,1243 118.778,1244 0.224,1245 29.087,1246 0.575,1247 170,1248 801.777,1249 319.866,1250 763.136,1251 988.32,1252 692,1253 198,1254 611.664,1255 381.103,1256 700.101,1257 1052.04,1258 650,1259 7.252}
{0 CHEMBL14830,1 2.091,2 10.259,3 -3.641,4 13.255,5 85.511,6 10.172,7 0.345,8 3.931,9 4.008,10 3.993,11 3.311,12 5.186,13 3.346,14 4.501,15 4.573,16 4.266,17 3.701,18 6.307,19 3.719,20 4.682,21 4.814,22 4.296,23 3.778,24 6.08,25 3.79,26 4.789,27 4.931,28 4.226,29 3.773,30 6.515,31 3.783,32 4.716,33 4.891,34 4.044,35 3.732,36 6.093,37 3.687,38 4.616,39 4.773,40 4.061,41 3.63,42 6.123,43 3.621,44 4.598,45 4.754,46 4.018,47 3.559,48 6.225,49 3.51,50 4.416,51 4.574,52 3.902,53 3.399,54 6.058,55 3.364,56 0.769,57 0.587,58 10.995,59 4.468,60 98.66,61 2.812,62 1.593,63 0.879,64 17.931,65 7.803,66 181.066,67 5.432,68 1.828,69 0.95,70 24.758,71 8.311,72 207.921,73 6.966,74 2.152,75 0.938,76 28.026,77 8.537,78 278.007,79 7.933,80 1.878,81 0.869,82 28.093,83 8.456,84 207.113,85 7.963,86 1.677,87 0.769,88 26.309,89 7.771,90 215.487,91 7.167,92 1.823,93 0.699,94 24.357,95 7.41,96 220.103,97 6.523,98 1.456,99 0.584,100 23.689,101 6.258,102 207.503,103 5.501,104 70,105 45,106 0.369,107 0.735,108 0.849,109 0.897,110 0.917,111 0.917,112 3.34,113 1.055,114 -1.3,115 -1.39,116 -1.45,117 23.8,122 1,124 3,125 1,134 1,135 1,136 1,144 1,145 1,146 1,147 1,148 1,150 5,151 3,153 8,156 1,157 8,158 1,162 1,163 3,165 3,166 1,167 4,168 1,170 3,173 5,175 1,176 2,177 9,178 2,187 3,191 4,194 1,199 1,201 2,202 1,203 5,204 1,206 1,211 5,215 6,216 2,218 1,219 1,225 3,227 2,228 3,230 1,231 1,236 6,239 1,240 6,241 2,247 1042,248 16.878,249 16.878,250 16.878,251 16.878,252 16.878,253 15.31,254 13.425,255 9.349,256 17.375,257 14.267,258 14.267,259 14.267,260 14.267,261 14.267,262 11.804,263 15.015,264 4.406,265 15.179,266 3.301,267 1.223,268 0.578,269 0.304,270 0.19,271 0.19,272 4.006,276 579,277 4.359,279 137.664,280 75.669,282 114.315,284 1.731,285 64.163,287 0.5,288 0.67,289 0.67,290 0.6,291 0.5,292 0.5,293 0.5,294 0.56,295 65.833,296 277,297 4.642,298 3.59,299 6.926,300 4.344,301 3.35,302 4.581,303 1.041,304 11.628,305 3.335,306 4.595,307 3.362,308 6.893,309 4.219,310 3.293,311 3.949,313 11.581,314 3.042,315 4.179,316 3.129,317 6.529,318 3.944,319 3.003,320 3.49,322 10.118,323 2.847,324 4.126,325 2.874,326 6.169,327 3.836,328 2.842,329 3.323,331 9.235,332 2.793,333 3.66,334 2.589,335 5.89,336 3.313,337 2.387,338 2.918,340 7.928,341 2.202,342 3.058,343 2.241,344 5.236,345 2.826,346 1.9,347 2.324,349 5.87,350 1.75,351 3.029,352 1.969,353 4.786,354 2.483,355 1.591,356 2.11,358 4.713,359 1.415,360 2.731,361 1.549,362 4.144,363 2.444,364 1.542,365 1.76,367 3.671,368 1.386,369 2.413,370 1.365,371 4.069,372 1.945,373 1.04,374 1.386,376 2.926,377 0.937,378 2.101,379 1.232,380 3.669,381 1.667,382 0.773,383 0.995,385 1.834,386 0.689,387 1.756,388 0.883,389 3.305,390 1.564,391 0.705,392 0.727,394 1.74,395 0.6,396 1.099,397 0.58,398 3.128,399 0.835,400 -0.026,401 -0.028,403 -0.063,404 -0.022,405 1,406 -0.153,407 2.74,408 0.656,409 -0.303,410 -0.349,412 -0.718,413 -0.279,414 0.978,415 -0.316,416 2.562,417 0.575,418 -0.351,419 -0.417,421 -1.181,422 -0.34,423 0.626,424 -0.459,425 2.367,426 0.184,427 -0.733,428 -0.823,429 -2.062,430 -0.665,431 12.333,432 0.457,433 1.188,434 0.044,435 31.75,436 1.176,437 11.5,438 0.426,439 20.25,440 0.75,441 23.573,442 0.873,443 32.667,444 0.778,445 28.623,446 1.06,447 6.113,448 0.226,449 6.371,450 0.236,451 0.222,452 0.162,453 0.316,454 1.341,455 1.889,456 0.787,457 1.867,458 1.183,459 0.97,460 0.596,461 0.978,462 0.752,463 0.759,464 0.498,465 0.879,466 1.083,467 1.265,468 0.925,469 1.15,470 0.94,471 1.094,472 0.821,473 0.887,474 0.961,475 0.837,476 0.706,477 1.026,478 0.974,479 0.9,480 1.003,481 0.817,482 0.946,483 1.025,484 0.991,485 1.099,486 1.02,487 1.101,488 0.969,489 1.102,490 0.947,491 0.807,492 1.015,493 0.808,494 1.007,495 1.016,496 1.124,497 1.233,498 1.188,499 1.328,500 1.135,501 1.147,502 8.5,503 0.207,504 4,505 3.299,506 1.673,507 0.976,508 0.899,509 0.554,510 0.412,511 0.24,512 8073,513 39009,514 1.933,515 35.7,517 5,518 1,519 2,520 7,524 1.701,525 1.723,526 3.313,527 4.646,532 87.826,533 2.091,534 4.169,535 4.815,536 5.089,537 5.202,538 5.202,539 2.75,540 4.134,541 4.727,542 3.535,543 1240.76,544 8.207,545 15798.1,549 226.477,550 1.846,551 4.616,552 0.293,553 0.012,554 0.089,555 0.079,556 0.04,557 0.029,558 0.026,559 0.018,560 0.016,561 0.011,562 0.613,563 0.17,564 0.75,565 1.577,566 133.396,567 -0.508,568 -0.457,569 0.238,570 -0.351,571 -0.397,572 0.052,573 0.378,574 0.19,575 0.003,576 0.151,577 0.347,578 -0.008,579 -0.165,580 -0.189,581 -0.011,582 -0.151,583 -0.134,584 -0.106,585 0.145,586 0.074,587 -0.09,588 -0.016,589 0.22,590 -0.078,591 -0.063,592 0.038,593 -0.076,594 0.033,595 -0.108,596 -0.008,597 -0.056,598 -0.121,599 -0.053,600 -0.138,601 -0.052,602 -0.079,603 0.075,604 0.081,605 -0.038,606 0.087,607 -0.008,608 -0.053,609 -0.115,610 -0.285,611 -0.072,612 -0.182,613 -0.047,614 -0.123,615 6.094,616 4.47,617 0.519,618 23.726,619 1.072,620 1.155,621 0.069,622 0.005,623 0.655,624 3.401,625 3.829,626 4.025,627 4.331,628 4.431,629 4.575,630 4.727,631 4.868,632 4.86,633 4.86,634 6.336,635 0.649,636 427.24,637 3.401,638 5.004,639 5.855,640 6.786,641 7.656,642 8.587,643 9.468,644 10.398,645 11.286,646 12.215,647 11.9,649 1,653 1,655 3,658 2,659 2,660 3,664 1,665 1,666 10,669 1,675 42,676 12,678 29,679 44,680 10,681 5,685 3,686 4,689 3,691 3,692 5,693 5,695 2,698 2,703 2,705 15,706 14,707 7,708 17,709 2,711 1,712 5,714 0.667,715 10,717 2,720 1,721 2,722 2,725 1,727 2,728 1,730 1,737 5,738 1,739 2,744 27,745 1,748 5,749 1,752 3,754 4,760 23.8,761 5,762 2,763 3,767 15.667,768 6.617,769 5.569,770 1.856,771 2,773 2.133,774 1.292,775 0.873,776 5.599,777 9.433,778 3.611,779 4.252,780 4.69,781 5.292,782 5.677,783 6.026,784 6.39,785 6.744,786 6.703,787 6.849,788 0.857,789 42,790 12.696,791 7.741,792 8.72,793 17.587,794 14.834,795 3.22,796 86.944,799 107.166,800 28.017,801 85.153,802 258.054,803 12.997,804 28.017,805 352.222,806 85.153,808 4.592,809 229.659,810 158.521,811 12.662,812 14.099,813 58.856,815 94.169,816 113.17,817 258.054,818 12.997,820 94.169,821 40.526,822 217.527,823 27.588,824 35.225,825 63.353,827 94.169,828 343.206,829 28.017,830 12.997,831 12.997,832 94.169,833 10.78,834 19.136,836 341.307,837 94.169,838 343.206,839 41.014,841 0.614,842 0.329,843 0.177,844 0.082,845 23,846 12,847 0.136,848 6,849 1,850 1.143,851 3.659,852 232.68,853 0.143,854 14,855 126.382,860 20.575,861 7.348,862 4.472,863 0.44,864 341.307,865 2.406,866 11.725,870 0.086,871 1.27,872 229.659,873 478.389,874 36,877 22.096,882 -10.419,883 45.033,884 48.524,885 0.388,886 0.773,887 0.893,888 0.944,889 0.965,890 0.965,891 4.931,892 1.542,893 5.958,894 4.713,895 4.511,896 4.938,897 1.153,898 6.88,899 4.393,900 6.208,901 1.04,902 7.603,903 3.671,904 4.575,905 5.173,907 8.22,908 4.468,909 7.592,910 0.773,911 9.353,912 2.926,913 6.312,914 7.222,915 1.208,916 11.2,917 6.12,918 9.006,919 0.705,920 11.158,921 1.834,922 7.074,923 8.174,925 13.217,926 6.889,927 10.446,928 -0.026,929 12.995,930 1.74,931 8.423,932 9.848,933 1.265,934 15.825,935 8.177,936 11.904,937 -0.303,938 14.852,939 -0.063,940 9.44,941 11.091,943 18.086,944 9.187,945 13.374,946 -0.351,947 16.723,948 -0.718,949 10.67,950 12.645,951 1.324,952 20.579,953 10.374,954 3.35,955 -0.733,956 18.603,957 -1.181,958 11.786,959 14.021,961 22.939,962 11.473,963 3.293,964 11.628,965 20.49,966 -2.062,967 12.979,968 15.535,969 1.383,970 25.394,971 12.635,972 3.003,973 11.581,974 22.383,975 4.581,976 14.134,977 16.976,979 27.798,980 13.771,981 2.842,982 10.118,983 24.281,984 3.949,985 15.318,986 18.48,987 1.444,988 30.241,989 14.931,990 2.387,991 9.235,992 26.183,993 3.49,994 16.49,995 19.955,997 32.665,998 16.085,999 1.9,1000 7.928,1001 28.088,1002 3.323,1003 17.675,1004 21.459,1005 1.506,1006 35.107,1007 17.25,1008 1.591,1009 5.87,1010 29.995,1011 2.918,1012 18.856,1013 22.952,1015 37.541,1016 18.415,1017 8088,1018 17937,1019 17.8,1020 27.506,1021 45.27,1022 46.505,1023 47.005,1024 44.686,1025 44.852,1026 55.125,1027 2.082,1028 142.489,1029 41.99,1030 5.616,1031 5.59,1032 6.455,1033 5.46,1034 5.35,1035 7.581,1036 2.082,1037 19.337,1038 5.246,1039 18.784,1040 1.561,1041 1.604,1042 1.621,1043 1.541,1044 1.547,1045 1.901,1046 0.072,1047 4.913,1048 1.448,1049 4.104,1050 4.155,1051 4.585,1052 3.958,1053 7.484,1054 3.943,1055 3.827,1056 3.838,1057 4.179,1058 3.893,1059 7.424,1060 3.652,1061 3.708,1062 3.677,1063 4.078,1064 3.621,1065 6.495,1066 3.52,1067 3.407,1068 3.437,1069 3.707,1070 3.52,1071 6.437,1072 3.191,1073 3.308,1074 3.336,1075 3.264,1076 3.08,1077 6.4,1078 3.083,1079 3.064,1080 3.11,1081 2.966,1082 2.857,1083 6.346,1084 2.836,1085 2.989,1086 3.092,1087 2.878,1088 2.679,1089 6.23,1090 2.714,1091 2.768,1092 2.818,1093 2.613,1094 2.377,1095 5.271,1096 2.416,1097 0.16,1098 0.124,1099 0.239,1100 0.15,1101 0.116,1102 4.642,1103 0.158,1104 3.59,1105 0.036,1106 6.926,1107 0.401,1108 4.344,1109 0.115,1110 3.35,1111 4.581,1112 1.041,1113 11.628,1114 3.335,1115 1.797,1116 1.751,1117 1.849,1118 2.008,1119 1.171,1120 1.965,1121 1.621,1122 1.607,1123 1.776,1124 1.824,1125 0.996,1126 1.827,1127 1.534,1128 1.512,1129 1.65,1130 1.785,1131 0.755,1132 1.762,1133 1.426,1134 1.422,1135 1.349,1136 1.535,1137 0.478,1138 1.65,1139 1.164,1140 1.154,1141 1.148,1142 1.423,1143 0.365,1144 1.434,1145 1.039,1146 1.018,1147 1.079,1148 1.248,1149 0.151,1150 1.305,1151 0.811,1152 0.739,1153 0.942,1154 1.219,1156 1.211,1157 0.786,1158 0.66,1159 0.91,1160 1.073,1162 1.078,1163 4.078,1165 5.476,1166 3.045,1167 7.033,1168 5.476,1169 8.661,1170 7.627,1171 10.331,1174 5.667,1175 46.637,1176 -0.813,1179 13.456,1181 -5.606,1184 27.263,1185 87.826,1186 175.093,1187 202.213,1188 213.722,1189 218.477,1190 218.477,1191 79.163,1192 7.3,1193 232.6,1194 252.22,1195 16,1196 12.726,1197 3.7,1198 3,1199 47.027,1200 104,1201 88,1202 0.228,1203 174.596,1204 294.68,1205 417.774,1206 13417,1208 19.983,1209 0.74,1210 0.555,1211 20.483,1212 14.998,1213 12.484,1214 0.43,1215 0.352,1216 7.162,1217 10.145,1218 6.927,1219 5.601,1220 14.264,1221 10.197,1222 13.295,1223 0.295,1224 0.184,1225 16.004,1226 8.295,1227 9.435,1228 0.172,1229 0.105,1230 11.107,1231 5.762,1232 8.33,1233 0.111,1234 0.054,1235 10.523,1236 4.078,1237 5.594,1238 0.067,1239 0.026,1240 6.336,1241 2.136,1242 0.356,1243 99.146,1244 0.237,1245 25.73,1246 0.633,1247 148,1248 660.544,1249 251.571,1250 625.482,1251 813.53,1252 570,1253 174,1254 517.606,1255 298.654,1256 574.955,1257 862.24,1258 535,1259 5}
{0 CHEMBL1628528,1 2.101,2 21.719,3 -7.718,4 59.561,5 169.635,6 10.933,7 0.161,8 4.631,9 4.69,10 4.798,11 4.036,12 5.88,13 4.069,14 5.245,15 5.292,16 5.112,17 4.478,18 7.067,19 4.463,20 5.425,21 5.538,22 5.234,23 4.561,24 6.846,25 4.569,26 5.588,27 5.681,28 5.24,29 4.606,30 7.517,31 4.591,32 5.483,33 5.621,34 5.166,35 4.577,36 6.88,37 4.534,38 5.534,39 5.625,40 5.21,41 4.553,42 7.463,43 4.536,44 5.472,45 5.589,46 5.123,47 4.499,48 7.104,49 4.446,50 5.409,51 5.499,52 5.103,53 4.422,54 7.315,55 4.384,56 1.795,57 1.201,58 19.785,59 10.617,60 210.973,61 4.858,62 3.618,63 1.839,64 35.214,65 19.537,66 353.807,67 9.998,68 4.438,69 2.025,70 53.261,71 21.253,72 500.526,73 13.242,74 5.657,75 2.037,76 64.639,77 24.835,78 709.113,79 15.16,80 4.877,81 1.956,82 64.176,83 23.145,84 555.676,85 14.651,86 5.496,87 1.865,88 67.476,89 24.654,90 706.25,91 15.092,92 5.105,93 1.732,94 61.354,95 22.629,96 635.872,97 12.791,98 5.071,99 1.574,100 64.148,101 22.063,102 689.334,103 12.327,104 257,105 98,106 0.314,107 0.643,108 0.723,109 0.771,110 0.792,111 0.802,112 4.062,113 1.088,114 -2.37,115 -2.41,116 -2.36,117 23.8,122 2,124 6,125 2,134 2,140 2,142 4,144 2,150 15,151 5,153 21,157 19,162 4,163 6,165 16,167 8,168 2,170 8,173 24,175 2,177 22,178 4,184 3,187 6,189 12,191 8,194 8,199 14,201 4,203 22,204 5,206 2,209 2,211 12,213 8,215 10,216 4,218 6,223 8,225 8,227 14,228 6,230 2,234 1,236 18,238 4,240 14,241 2,243 4,247 9124,248 35.756,249 35.756,250 35.756,251 35.756,252 35.756,253 33.098,254 34.412,255 19.659,256 36.652,257 30.516,258 30.516,259 30.516,260 30.516,261 30.516,262 25.957,263 43.542,264 9.278,265 32.126,266 4.291,267 2.094,268 1.561,269 1.237,270 1.098,271 1.033,272 4.75,276 2698,277 6.782,279 739.235,280 412.694,282 622.851,284 3.613,285 166.516,287 0.25,288 0.17,289 0.33,290 0.5,291 0.5,292 0.17,294 0.27,295 140.333,296 1238,297 4.745,298 3.667,299 7.174,300 4.511,301 3.512,302 4.219,303 1.11,304 12.631,305 3.509,306 4.615,307 3.667,308 6.996,309 4.366,310 3.37,311 4.219,312 1.11,313 11.967,314 3.358,315 4.564,316 3.537,317 6.924,318 4.228,319 3.299,320 4.107,321 1.041,322 11.61,323 3.135,324 4.563,325 3.53,326 6.923,327 4.224,328 3.295,329 3.967,330 1.041,331 11.609,332 3.061,333 4.419,334 3.506,335 6.724,336 4.141,337 3.149,338 3.758,339 0.779,340 10.986,341 3.059,342 4.203,343 3.379,344 6.531,345 3.957,346 3.005,347 3.521,348 0.779,349 10.129,350 2.885,351 4.117,352 3.175,353 6.528,354 3.946,355 2.995,356 3.319,358 10.114,359 2.834,360 4.109,361 2.97,362 6.403,363 3.873,364 2.881,365 3.208,367 9.872,368 2.823,369 4.008,370 2.944,371 6.122,372 3.656,373 2.659,374 3.208,376 8.965,377 2.652,378 3.629,379 2.892,380 5.891,381 3.34,382 2.387,383 2.809,385 7.929,386 2.258,387 3.629,388 2.673,389 5.891,390 3.34,391 2.387,392 2.808,394 7.928,395 2.258,396 3.083,397 2.374,398 5.236,399 2.844,400 1.9,401 2.162,403 5.871,404 1.78,405 3.083,406 2.373,407 5.236,408 2.844,409 1.899,410 2.162,412 5.87,413 1.78,414 3.006,415 2.206,416 4.787,417 2.497,418 1.591,419 2.044,421 4.714,422 1.429,423 3.006,424 2.205,425 4.786,426 2.497,427 1.591,428 2.044,429 4.714,430 1.429,431 26.2,432 0.46,433 2.548,434 0.045,435 66,436 1.158,437 22.5,438 0.395,439 43.5,440 0.763,441 66.112,442 1.16,443 68.6,444 0.817,445 81.441,446 1.429,447 12.637,448 0.222,449 13.745,450 0.241,451 0.204,452 0.191,453 0.298,454 1.343,455 1.961,456 0.783,457 1.959,458 1.078,459 1.009,460 0.557,461 0.905,462 0.66,463 0.608,464 0.538,465 0.855,466 1.151,467 1.344,468 0.93,469 1.399,470 0.984,471 1.109,472 0.742,473 0.798,474 0.906,475 0.742,476 0.728,477 0.952,478 1.192,479 1.073,480 1.071,481 1.274,482 1.118,483 1.067,484 0.805,485 0.97,486 1.053,487 1.064,488 0.811,489 1.047,490 1.242,491 0.916,492 1.234,493 1.226,494 1.263,495 1.094,496 1.096,497 1.092,498 1.278,499 1.319,500 1.125,501 1.083,502 19,503 0.849,504 8.667,505 8.472,506 3.747,507 3.229,508 2.084,509 1.639,510 1.145,511 0.93,512 79634,513 350665,514 1.96,515 32.1,517 10,518 2,519 4,520 11,524 1.877,525 1.749,526 4.321,527 7.004,532 176.485,533 2.101,534 4.298,535 4.832,536 5.156,537 5.294,538 5.36,539 3.762,540 4.64,541 5.806,542 4.603,543 7346.04,544 10.338,545 176804,549 536.955,550 1.867,551 5.696,552 0.306,553 0.011,554 0.088,555 0.088,556 0.036,557 0.038,558 0.021,559 0.02,560 0.014,561 0.013,562 0.635,563 0.17,564 0.38,565 0.617,566 363.588,567 -0.506,568 -0.523,569 0.26,570 -0.423,571 -0.331,572 0.011,573 0.401,574 0.235,575 0.073,576 0.272,577 0.265,578 -0.016,579 -0.218,580 -0.239,581 0.113,582 -0.231,583 -0.153,584 -0.067,585 0.307,586 0.139,587 0.016,588 0.147,589 0.302,590 -0.027,591 -0.222,592 -0.058,593 0.055,594 -0.107,595 -0.223,596 0.012,597 0.274,598 -0.021,599 -0.014,601 0.266,602 -0.07,603 -0.166,604 0.037,605 -0.082,606 -0.037,607 -0.193,608 -0.079,609 0.055,610 -0.159,611 -0.093,612 -0.058,613 0.095,614 -0.08,615 7.274,616 5.382,617 0.491,618 100.497,619 1.085,620 1.15,621 1.145,622 1.311,623 0.673,624 4.143,625 4.595,626 4.812,627 5.147,628 5.22,629 5.412,630 5.501,631 5.67,632 5.666,633 5.717,634 12.688,635 0.67,636 918.4,637 4.143,638 5.771,639 6.635,640 7.578,641 8.453,642 9.397,643 10.277,644 11.22,645 12.105,646 13.047,647 9.5,652 2,653 2,654 2,655 2,659 2,660 2,664 4,665 2,666 10,667 2,675 84,676 19,678 62,679 89,680 20,681 6,684 4,685 6,686 8,689 6,691 6,692 10,693 10,695 9,698 7,700 2,701 2,702 2,703 5,705 27,706 30,707 11,708 37,709 5,711 2,712 8,713 2,714 0.667,715 24,717 4,720 2,721 5,722 5,727 4,728 2,730 2,737 9,738 2,739 4,744 57,748 9,749 2,751 2,752 8,754 8,760 28.6,761 9,762 7,763 8,767 32.583,768 13.5,769 11.639,770 3.814,771 5,773 2.452,774 1.262,775 0.89,776 12.778,777 11.795,778 4.344,779 4.945,780 5.307,781 5.879,782 6.086,783 6.447,784 6.645,785 6.946,786 6.969,787 7.03,788 1,789 96,790 18.604,791 4.844,792 8.793,793 37.193,794 31.99,795 3.293,796 187.694,799 237.605,800 63.238,801 106.962,802 555.215,803 49.267,804 63.238,805 743.553,806 106.962,808 45.206,809 356.393,810 372.629,811 47.539,812 23.542,813 117.711,815 188.338,816 170.2,817 555.215,818 49.267,820 188.338,821 151.606,822 403.609,823 109.982,824 26.646,825 82.838,827 188.338,828 662.177,829 63.238,830 49.267,831 49.267,832 188.338,833 28.763,834 38.273,835 36.022,836 622.357,837 188.338,838 662.177,839 112.505,841 0.619,842 0.342,843 0.187,844 0.085,845 49,846 26,847 0.18,848 16,849 2,850 1.143,851 5.979,852 649.739,853 0.143,854 28,855 278.475,860 44.436,861 16.391,862 10.092,864 658.379,865 2.03,866 7.608,870 -0.591,871 2.049,872 392.414,873 963.019,874 76,877 85.432,879 1.995,880 7.752,881 -1.333,882 -30.971,883 91.146,884 96.613,885 0.329,886 0.672,887 0.756,888 0.807,889 0.828,890 0.838,891 5.699,892 2.881,893 6.749,894 10.114,895 5.283,896 5.635,897 2.541,898 7.694,899 5.188,900 6.976,901 2.659,902 8.408,903 9.872,904 5.38,905 5.897,907 9.086,908 5.302,909 8.367,910 2.387,911 10.171,912 8.965,913 7.12,914 7.846,915 2.584,916 12.082,917 6.97,918 9.784,919 2.387,920 11.99,921 7.929,922 7.909,923 8.807,925 14.144,926 7.77,927 11.228,928 1.9,929 13.842,930 7.928,931 9.262,932 10.377,933 2.672,934 16.774,935 9.075,936 12.688,937 1.899,938 15.714,939 5.871,940 10.302,941 11.599,943 19.077,944 10.114,945 14.16,946 1.591,947 17.6,948 5.87,949 11.542,950 13.056,951 2.79,952 21.598,953 11.322,954 3.512,955 1.591,956 19.495,957 4.714,958 12.677,959 14.383,961 23.999,962 12.45,963 3.37,964 12.631,965 21.397,966 4.714,967 13.885,968 15.805,969 2.927,970 26.487,971 13.637,972 3.299,973 11.967,974 23.304,975 4.219,976 15.059,977 17.178,979 28.932,980 14.804,981 3.295,982 11.61,983 25.217,984 4.219,985 16.261,986 18.592,987 3.077,988 31.414,989 15.993,990 3.149,991 11.609,992 27.133,993 4.107,994 17.454,995 19.987,997 33.882,998 17.179,999 3.005,1000 10.986,1001 29.053,1002 3.967,1003 18.658,1004 21.401,1005 3.235,1006 36.366,1007 18.376,1008 2.995,1009 10.129,1010 30.975,1011 3.758,1012 19.86,1013 22.808,1015 38.846,1016 19.575,1017 74220,1018 156264,1019 38.372,1020 56.499,1021 97.422,1022 102.662,1023 101.116,1024 95.676,1025 96.083,1026 114.388,1027 11.722,1028 310.534,1029 91.047,1030 5.745,1031 5.632,1032 6.703,1033 5.627,1034 5.512,1035 6.945,1036 2.22,1037 20.437,1038 5.478,1039 43.779,1040 1.571,1041 1.656,1042 1.631,1043 1.543,1044 1.55,1045 1.845,1046 0.189,1047 5.009,1048 1.468,1049 4.071,1050 4.114,1051 4.714,1052 4.073,1053 7.477,1054 3.896,1055 4.022,1056 4.069,1057 4.568,1058 3.932,1059 7.449,1060 3.851,1061 3.856,1062 3.838,1063 4.382,1064 3.849,1065 7.432,1066 3.675,1067 3.8,1068 3.812,1069 4.166,1070 3.807,1071 7.429,1072 3.623,1073 3.766,1074 3.759,1075 4.03,1076 3.751,1077 7.427,1078 3.591,1079 3.684,1080 3.651,1081 3.993,1082 3.596,1083 7.413,1084 3.501,1085 3.54,1086 3.515,1087 3.981,1088 3.557,1089 7.401,1090 3.344,1091 3.387,1092 3.432,1093 3.691,1094 3.501,1095 6.5,1096 3.171,1097 0.077,1098 0.059,1099 0.116,1100 0.073,1101 0.057,1102 4.745,1103 0.068,1104 3.667,1105 0.018,1106 7.174,1107 0.204,1108 4.511,1109 0.057,1110 3.512,1111 4.219,1112 1.11,1113 12.631,1114 3.509,1115 1.701,1116 1.66,1117 1.803,1118 1.938,1119 1.169,1120 1.893,1121 1.701,1122 1.66,1123 1.803,1124 1.938,1125 1.169,1126 1.893,1127 1.626,1128 1.642,1129 1.741,1130 1.818,1131 0.976,1132 1.833,1133 1.612,1134 1.599,1135 1.741,1136 1.818,1137 0.975,1138 1.822,1139 1.556,1140 1.55,1141 1.621,1142 1.771,1143 0.665,1144 1.758,1145 1.511,1146 1.492,1147 1.621,1148 1.771,1149 0.663,1150 1.738,1151 1.485,1152 1.454,1153 1.339,1154 1.587,1155 0.582,1156 1.716,1157 1.406,1158 1.405,1159 1.338,1160 1.511,1161 0.48,1162 1.621,1163 4.828,1165 6.248,1166 3.714,1167 7.82,1168 6.168,1169 9.462,1170 8.32,1171 11.144,1175 90.837,1176 -2.41,1178 4.505,1179 34.629,1181 -13.837,1184 56.266,1185 176.485,1186 361.067,1187 405.861,1188 433.08,1189 444.69,1190 450.2,1191 249.233,1192 9.343,1193 468.4,1194 517.45,1195 32,1196 13.551,1197 4.322,1198 3.907,1199 99.399,1200 440,1201 384,1202 0.105,1203 354.747,1204 635.59,1205 857.342,1206 240818,1208 41.88,1209 0.735,1210 0.559,1211 43.13,1212 31.883,1213 26.382,1214 0.426,1215 0.363,1216 15.044,1217 20.994,1218 14.506,1219 11.682,1220 30.65,1221 22.478,1222 28.315,1223 0.289,1224 0.197,1225 34.86,1226 19.28,1227 20.681,1228 0.17,1229 0.124,1230 26.287,1231 15.137,1232 19.158,1233 0.112,1234 0.068,1235 26.878,1236 11.624,1237 12.152,1238 0.066,1239 0.04,1240 15.981,1241 7.312,1242 0.173,1243 215.133,1244 0.161,1245 48.518,1246 0.267,1247 320,1248 1497.98,1249 587,1250 1407.81,1251 1833.91,1252 1284,1253 380,1254 1152.05,1255 709.284,1256 1293.44,1257 1958.36,1258 1205,1259 8.5}
{0 CHEMBL190141,1 1.621,2 11.865,3 3.17,4 10.046,5 140.449,6 7.302,7 0.366,8 4.371,9 4.493,10 3.939,11 3.909,12 5.4,13 3.865,14 4.941,15 5.112,16 4.266,17 4.307,18 5.931,19 4.227,20 5.281,21 5.521,22 4.299,23 4.409,24 6.316,25 4.306,26 5.357,27 5.605,28 4.293,29 4.411,30 6.367,31 4.312,32 5.331,33 5.57,34 4.407,35 4.404,36 6.496,37 4.329,38 5.371,39 5.593,40 4.51,41 4.482,42 6.546,43 4.415,44 5.454,45 5.679,46 4.508,47 4.567,48 6.531,49 4.482,50 5.484,51 5.712,52 4.519,53 4.624,54 6.551,55 4.516,56 0.078,57 1.087,58 16.582,59 7.056,60 17.263,61 9.221,62 0.266,63 1.771,64 32.334,65 12.099,66 42.716,67 16.541,68 0.815,69 2.125,70 46.488,71 15.397,72 114.323,73 22.026,74 0.776,75 2.19,76 53.326,77 16.03,78 111.191,79 22.445,80 0.948,81 2.173,82 51.824,83 15.147,84 161.958,85 21.532,86 1.02,87 2.304,88 54.146,89 15.841,90 150.024,91 21.973,92 0.92,93 2.432,94 58.7,95 18.42,96 138.632,97 24.646,98 0.921,99 2.608,100 60.362,101 18.873,102 154.639,103 26.193,104 17,105 57,106 0.253,107 0.58,108 0.748,109 0.846,110 0.883,111 0.883,112 3.642,113 1.04,114 -2.56,115 -2.59,116 -2.52,117 37.5,119 9,120 2,124 4,130 4,134 2,138 1,139 1,142 2,144 1,145 1,152 13,154 3,157 3,159 4,160 10,163 1,164 3,167 3,168 4,169 8,171 7,174 3,177 1,178 1,179 8,182 2,187 2,188 4,191 3,193 12,195 4,199 2,200 6,203 3,204 2,205 10,207 5,211 1,212 7,215 1,216 1,217 7,220 11,224 7,227 2,229 9,232 12,237 11,240 3,241 1,242 5,244 4,247 2897,248 25.154,249 25.154,250 25.154,251 25.154,252 25.154,253 23.174,254 14.869,255 14.923,256 25.66,257 20.245,258 20.245,259 20.245,260 20.245,261 20.245,262 17.206,263 14.997,264 7.147,265 21.077,266 4.549,267 2.449,268 1.372,269 0.743,270 0.5,271 0.5,272 4.336,275 1,276 964,277 5,278 85.895,279 226.247,280 281.851,282 191.422,284 1.62,285 52.881,287 0.75,288 0.5,289 0.67,290 0.9,291 1,292 0.5,294 0.62,295 80.5,296 439,297 4.498,298 3.776,299 6.558,300 4.067,301 3.1,302 4.425,303 1.956,304 10.171,305 2.994,306 4.132,307 3.535,308 6.351,309 4.012,310 3.051,311 3.507,312 1.058,313 9.784,314 2.929,315 4.032,316 3.247,317 6.11,318 3.826,319 2.847,320 3.293,321 0.248,322 8.938,323 2.783,324 3.873,325 2.885,326 5.814,327 3.624,328 2.638,329 3.133,331 8.018,332 2.604,333 3.77,334 2.755,335 5.727,336 3.447,337 2.477,338 2.971,340 7.615,341 2.421,342 3.595,343 2.679,344 5.308,345 3.374,346 2.397,347 2.616,349 6.814,350 2.322,351 3.326,352 2.401,353 5.286,354 3.251,355 2.277,356 2.333,358 6.623,359 2.196,360 3.032,361 2.017,362 4.621,363 2.622,364 1.668,365 2.298,367 4.591,368 1.587,369 3.012,370 1.822,371 4.414,372 2.507,373 1.532,374 2.21,376 4.312,377 1.496,378 2.762,379 1.778,380 4.228,381 2.495,382 1.517,383 1.802,385 3.693,386 1.474,387 2.602,388 1.532,389 3.846,390 2.391,391 1.416,392 1.614,394 3.126,395 1.374,396 2.587,397 1.429,398 3.61,399 2.193,400 1.25,401 1.57,403 2.922,404 1.169,405 2.367,406 1.309,407 3.579,408 2.048,409 1.143,410 1.35,412 2.717,413 1.011,414 2.207,415 1.287,416 3.38,417 2,418 1,419 1.04,421 2.136,422 1,423 2.118,424 1.146,425 3.247,426 1.762,427 0.811,428 1,429 2.055,430 0.751,431 17.667,432 0.477,433 0.87,434 0.024,435 39,436 1.054,437 15,438 0.405,439 24,440 0.649,441 44.092,442 1.192,443 41.733,444 0.58,445 30.95,446 0.836,447 6.576,448 0.178,449 11.399,450 0.308,451 0.075,453 0.34,454 0.85,455 1.267,456 0.821,457 1.01,458 0.721,459 0.977,460 0.675,461 1.401,462 0.985,463 1.273,464 0.633,465 1.2,466 0.827,467 0.961,468 0.79,469 0.901,470 0.856,471 0.985,472 1.327,473 0.979,474 0.938,475 0.892,476 1.339,477 0.924,478 1.179,479 0.996,480 0.824,481 0.848,482 1.183,483 0.852,484 1.278,485 0.956,486 0.913,487 0.91,488 1.357,489 0.915,490 1.471,491 0.92,492 0.941,493 0.883,494 1.639,495 0.916,496 1.248,497 1.068,498 0.993,499 0.973,500 1.29,501 1.019,502 7,503 0.241,504 3.611,505 2.451,506 2.133,507 1.111,508 1.126,509 0.751,510 0.528,511 0.458,512 21054,513 50561,514 2.116,515 48.6,516 15,517 8,518 1,519 1,520 5,521 2,522 3,524 1.79,525 2,526 3.51,527 2.243,532 116.718,533 1.621,534 3.721,535 4.798,536 5.427,537 5.67,538 5.67,539 2.893,540 4.378,541 5.183,542 3.711,543 2471.23,544 9.171,545 40602.1,549 444.235,550 1.338,551 5.15,552 0.171,553 0.004,554 0.067,555 0.045,556 0.04,557 0.019,558 0.018,559 0.012,560 0.008,561 0.008,562 0.392,563 0.17,564 0.63,565 0.488,566 201.979,567 -0.098,568 -0.015,569 0.043,570 0.089,571 -0.057,572 0.071,573 0.073,574 -0.249,575 -0.067,576 -0.208,577 0.031,578 -0.169,579 0.161,580 0.019,581 0.043,582 -0.021,583 0.088,584 -0.022,585 -0.112,586 -0.035,587 -0.01,588 0.003,589 -0.104,590 0.02,591 0.081,592 -0.034,593 0.111,594 0.046,595 0.135,596 0.086,597 0.049,598 0.051,599 0.047,600 0.005,601 0.048,602 0.019,603 -0.134,604 0.036,605 0.007,606 0.048,607 -0.153,608 0.037,609 -0.091,610 -0.082,611 -0.041,612 -0.019,613 -0.061,614 -0.052,615 2.385,616 6.599,617 0.622,618 38.505,619 1.002,620 1.132,621 1.334,622 1.779,623 0.652,624 3.738,625 4.06,626 4.29,627 4.511,628 4.654,629 4.7,630 4.804,631 4.942,632 4.949,633 4.99,634 7.473,635 0.612,636 525.74,637 3.738,638 5.283,639 6.133,640 7.004,641 7.869,642 8.743,643 9.614,644 10.49,645 11.364,646 12.241,647 6.9,652 2,653 1,655 2,658 2,659 6,660 2,661 1,663 1,664 2,666 15,667 1,675 72,676 17,677 1,678 41,679 76,680 27,681 10,682 2,683 4,684 1,685 5,686 6,689 7,690 2,691 13,692 12,693 15,694 2,695 2,698 2,702 2,705 35,706 8,707 5,708 10,709 1,711 1,712 5,714 0.8,715 4,717 2,726 1,727 2,728 2,730 1,732 1,737 2,739 4,741 1,744 37,748 2,749 9,751 2,754 6,757 1,760 5.6,761 2,762 2,767 18.5,768 12.05,769 8.083,770 4.628,773 2.126,774 1.28,775 0.93,776 8.657,777 9.719,778 3.942,779 4.46,780 4.943,781 5.446,782 5.802,783 6.07,784 6.353,785 6.703,786 6.592,787 6.738,788 0.875,789 54,790 13.99,791 6.304,792 7.793,793 26.798,794 23.322,795 2.293,796 84.833,799 353.133,800 125.645,801 86.378,802 135.657,803 31.278,804 94.367,805 488.79,806 86.378,808 58.832,809 130.921,810 114.589,811 21.686,812 13.915,813 360.869,815 353.133,816 180.745,817 135.657,818 31.278,820 317.82,821 85.603,822 85.367,823 90.067,824 57.108,825 33.571,826 31.278,827 353.133,828 222.035,829 125.645,832 353.133,833 72.871,834 52.774,835 52.807,836 169.228,837 353.133,838 222.035,839 125.645,841 0.582,842 0.331,843 0.173,844 0.088,845 27,846 12,847 0.145,848 11,849 1,850 1.087,851 4.735,852 361.655,853 0.087,854 23,855 184.75,857 1,860 26.426,861 12.121,862 7.024,863 1.399,864 205.249,865 10.878,866 8.647,867 3.005,869 1.421,870 0.817,872 138.174,873 700.813,874 50.5,877 26.707,881 -0.894,883 72.149,884 81.477,885 0.263,886 0.603,887 0.778,888 0.88,889 0.919,890 0.919,891 5.197,892 1.668,893 6.111,894 6.623,895 4.745,896 5.147,897 2.286,898 6.905,899 4.674,900 6.369,901 1.532,902 7.664,903 4.591,904 4.369,905 4.902,906 1.593,907 7.784,908 4.296,909 7.656,910 1.517,911 9.317,912 4.312,913 6.34,914 7.221,915 3.142,916 10.85,917 6.212,918 8.972,919 1.416,920 11.027,921 3.693,922 6.77,923 7.846,924 3.114,925 12.515,926 6.622,927 10.322,928 1.25,929 12.772,930 3.126,931 8.214,932 9.651,933 4.251,934 15.101,935 8.028,936 11.693,937 1.143,938 14.542,939 2.922,940 8.999,941 10.702,942 4.559,943 17.091,944 8.781,945 13.082,946 1,947 16.328,948 2.717,949 10.236,950 12.306,951 5.484,952 19.502,953 9.986,954 3.1,955 0.811,956 18.127,957 2.136,958 11.188,959 13.576,960 5.961,961 21.643,962 10.899,963 3.051,964 10.171,965 19.935,966 2.055,967 12.341,968 15.099,969 6.772,970 23.985,971 12.021,972 2.847,973 9.784,974 21.75,975 4.425,976 13.372,977 16.479,978 7.337,979 26.2,980 13.012,981 2.638,982 8.938,983 23.572,984 3.507,985 14.493,986 17.974,987 8.086,988 28.514,989 14.1,990 2.477,991 8.018,992 25.399,993 3.293,994 15.563,995 19.407,996 8.698,997 30.768,998 15.13,999 2.397,1000 7.615,1001 27.23,1002 3.133,1003 16.673,1004 20.893,1005 9.413,1006 33.071,1007 16.205,1008 2.277,1009 6.814,1010 29.065,1011 2.971,1012 17.763,1013 22.353,1014 10.051,1015 35.346,1016 17.256,1017 19547,1018 30590,1019 27.739,1020 46.915,1021 62.269,1022 63.363,1023 62.539,1024 60.982,1025 61.187,1026 74.257,1027 6.525,1028 173.911,1029 58.801,1030 5.498,1031 5.776,1032 6.36,1033 5.148,1034 5.1,1035 7.425,1036 3.429,1037 17.424,1038 4.994,1039 15.745,1040 1.519,1041 1.545,1042 1.525,1043 1.487,1044 1.492,1045 1.811,1046 0.159,1047 4.242,1048 1.434,1049 4.109,1050 4.152,1051 4.196,1052 3.982,1053 7.434,1054 3.997,1055 3.977,1056 4.022,1057 4.069,1058 3.87,1059 7.424,1060 3.857,1061 3.876,1062 3.926,1063 3.86,1064 3.821,1065 6.493,1066 3.768,1067 3.853,1068 3.89,1069 3.734,1070 3.766,1071 6.4,1072 3.745,1073 3.662,1074 3.706,1075 3.644,1076 3.505,1077 5.045,1078 3.504,1079 3.546,1080 3.591,1081 3.453,1082 3.379,1083 4.838,1084 3.385,1085 3.392,1086 3.435,1087 3.324,1088 3.235,1089 4.327,1090 3.238,1091 3.202,1092 3.266,1093 3.024,1094 3.013,1095 4.308,1096 3.003,1097 0.11,1098 0.092,1099 0.16,1100 0.099,1101 0.076,1102 4.498,1103 0.108,1104 3.776,1105 0.048,1106 6.558,1107 0.248,1108 4.067,1109 0.073,1110 3.1,1111 4.425,1112 1.956,1113 10.171,1114 2.994,1115 1.913,1116 1.881,1117 2.125,1118 2.056,1119 1.535,1120 2.08,1121 1.91,1122 1.862,1123 2.01,1124 2.009,1125 1.248,1126 2.011,1127 1.738,1128 1.695,1129 1.897,1130 1.941,1131 1.138,1132 1.928,1133 1.638,1134 1.597,1135 1.819,1136 1.837,1137 1.097,1138 1.83,1139 1.47,1140 1.43,1141 1.612,1142 1.702,1143 0.985,1144 1.668,1145 1.357,1146 1.306,1147 1.553,1148 1.57,1149 0.825,1150 1.58,1151 1.254,1152 1.247,1153 1.513,1154 1.446,1155 0.825,1156 1.437,1157 1.193,1158 1.141,1159 1.513,1160 1.376,1161 0.706,1162 1.429,1163 4.419,1164 1.946,1165 5.74,1166 4.111,1167 7.238,1168 6.075,1169 8.812,1170 7.955,1171 10.425,1175 21.756,1176 8.22,1178 5.825,1181 -2.948,1184 44.055,1185 116.718,1186 267.931,1187 345.48,1188 390.725,1189 408.235,1190 408.235,1191 98.815,1192 7.593,1193 140.23,1194 168.47,1195 25,1196 12.78,1197 4.17,1198 3.392,1199 56.207,1200 161,1201 159,1202 0.159,1203 270.465,1204 468.71,1205 651.694,1206 19530,1208 25.777,1209 0.697,1210 0.584,1211 26.131,1212 21.622,1213 17.974,1214 0.438,1215 0.347,1216 13.204,1217 16.928,1218 12.929,1219 10.626,1220 18.474,1221 14.211,1222 16.164,1223 0.284,1224 0.197,1225 16.662,1226 11.205,1227 13.358,1228 0.186,1229 0.111,1230 13.891,1231 7.976,1232 10.58,1233 0.118,1234 0.065,1235 11.144,1236 5.822,1237 7.93,1238 0.076,1239 0.037,1240 8.191,1241 3.869,1242 0.248,1243 117.243,1244 0.19,1245 33.451,1246 0.445,1247 196,1248 532.92,1249 234.126,1250 531.674,1251 712.32,1252 496,1253 230,1254 494.354,1255 265.049,1256 510.009,1257 747.6,1258 481,1259 5.523}
{0 CHEMBL216504,1 1.986,2 21.227,3 -0.31,4 0.096,5 225.636,6 11.207,7 0.479,8 4.695,9 4.708,10 4.889,11 4.315,12 5.953,13 4.301,14 5.21,15 5.228,16 5.097,17 4.685,18 7.242,19 4.696,20 5.448,21 5.53,22 5.159,23 4.886,24 6.947,25 4.862,26 5.621,27 5.714,28 5.339,29 4.952,30 7.156,31 4.939,32 5.685,33 5.769,34 5.543,35 4.987,36 7.255,37 4.985,38 5.759,39 5.818,40 5.605,41 4.931,42 7.649,43 4.979,44 5.777,45 5.842,46 5.366,47 4.824,48 8.014,49 4.879,50 5.534,51 5.666,52 4.97,53 4.744,54 7.143,55 4.712,56 0.702,57 1.417,58 17.273,59 11.379,60 230.798,61 5.704,62 2.321,63 2.105,64 16.71,65 15.529,66 502.608,67 11.527,68 2.331,69 2.775,70 29.673,71 21.201,72 442.166,73 15.565,74 3.193,75 3.189,76 42.036,77 25.194,78 616,79 17.456,80 3.21,81 3.443,82 60.927,83 29.007,84 669.699,85 18.61,86 4.187,87 3.449,88 70.456,89 30.203,90 1009.27,91 18.224,92 6.027,93 3.153,94 60.144,95 26.506,96 1306.06,97 18.472,98 3.545,99 2.726,100 45.555,101 22.477,102 699.407,103 17.81,104 478,105 113,106 0.283,107 0.506,108 0.606,109 0.701,110 0.739,111 0.766,112 4.206,113 1.092,114 -0.01,115 -0.16,116 -0.35,117 38,130 16,131 6,132 10,142 2,143 1,150 12,151 6,152 14,153 6,154 2,157 16,158 1,159 10,160 18,161 12,164 28,169 24,171 12,172 10,174 30,179 22,180 2,182 8,183 6,184 2,188 22,189 8,191 6,192 4,193 12,194 6,195 14,196 6,197 4,199 8,200 18,201 18,203 12,204 4,205 8,206 10,207 20,208 4,211 22,212 8,213 2,215 26,216 8,217 8,220 24,221 6,223 4,224 12,225 2,227 2,229 10,232 16,233 8,236 4,237 24,240 2,242 20,243 2,244 8,245 8,247 11808,248 40.605,249 40.605,250 40.605,251 40.605,252 40.605,253 34.524,254 45.727,255 22.385,256 41.652,257 35.077,258 35.077,259 35.077,260 35.077,261 35.077,262 25.085,263 57.249,264 10.691,265 36.785,266 4.538,267 2.976,268 2.278,269 1.609,270 1.342,271 1.152,272 4.892,276 2965,277 7.55,280 1278.36,283 686.929,284 3.193,285 206.226,287 0.25,288 0.17,289 0.33,292 0.17,294 0.13,295 155,296 1401,297 4.999,298 5.205,299 7.434,300 4.477,301 3.541,302 4.992,303 2.925,304 13.158,305 3.306,306 4.999,307 5.205,308 7.434,309 4.477,310 3.541,311 4.992,312 2.925,313 13.158,314 3.306,315 4.805,316 5.168,317 7.206,318 4.231,319 3.318,320 4.663,321 2.925,322 12.051,323 2.997,324 4.805,325 5.168,326 7.206,327 4.231,328 3.318,329 4.663,330 2.925,331 12.051,332 2.997,333 4.752,334 5.139,335 7.091,336 4.167,337 3.252,338 4.595,339 2.925,340 11.602,341 2.946,342 4.752,343 5.139,344 7.091,345 4.167,346 3.252,347 4.595,348 2.925,349 11.602,350 2.946,351 4.323,352 3.594,353 6.417,354 3.901,355 2.914,356 4.09,357 1.656,358 9.683,359 2.871,360 4.321,361 3.581,362 6.417,363 3.883,364 2.895,365 4.09,366 1.058,367 9.683,368 2.857,369 4.212,370 3.548,371 6.073,372 3.731,373 2.758,374 3.816,375 1.058,376 8.807,377 2.663,378 4.188,379 3.149,380 6.066,381 3.711,382 2.728,383 3.795,384 0.247,385 8.766,386 2.654,387 3.84,388 3.149,389 5.536,390 3.508,391 2.525,392 3.143,394 7.46,395 2.462,396 3.672,397 2.619,398 5.413,399 3.281,400 2.299,401 3.042,403 6.901,404 2.249,405 3.523,406 2.619,407 5.373,408 3.069,409 2.083,410 2.902,412 6.593,413 2.048,414 3.458,415 2.616,416 5.245,417 3.004,418 2.018,419 2.819,421 6.401,422 1.989,423 3.308,424 2.571,425 4.898,426 2.845,427 1.834,428 2.646,429 5.372,430 1.842,431 31.1,432 0.471,433 3.202,434 0.049,435 99.25,436 1.504,437 56.5,438 0.856,439 42.75,440 0.648,441 61.681,442 0.935,443 73.3,444 0.797,445 126.862,446 1.922,447 18.861,448 0.286,449 11.367,450 0.172,451 0.225,452 0.161,453 0.305,454 0.657,455 1.176,456 0.89,457 1.382,458 0.878,459 0.783,460 0.4,461 0.945,462 0.774,463 0.864,464 0.398,465 0.89,466 0.881,467 1.127,468 0.968,469 0.971,470 0.783,471 1.052,472 1.073,473 1.137,474 0.85,475 0.887,476 0.982,477 0.999,478 0.999,479 1.125,480 0.848,481 1.072,482 1.054,483 0.987,484 0.942,485 1.173,486 1.048,487 1.315,488 1.069,489 1.043,490 0.801,491 0.696,492 0.952,493 0.752,494 0.807,495 0.965,496 1.012,497 0.852,498 0.911,499 0.748,500 0.944,501 1.047,502 23.5,503 0.818,504 10,505 7.125,506 6.258,507 6,508 4.067,509 1.427,510 1.266,511 0.925,512 104363,513 504096,514 1.92,515 28.3,517 16,520 10,524 1.909,525 1.7,526 4.265,527 5.753,532 182.683,533 1.986,534 3.547,535 4.246,536 4.914,537 5.181,538 5.371,539 3.605,540 4.582,541 6.025,542 4.577,543 9818.64,544 10.773,545 256653,549 600.168,550 1.879,551 5.894,552 0.331,553 0.009,554 0.088,555 0.059,556 0.048,557 0.042,558 0.028,559 0.011,560 0.013,561 0.01,562 0.64,563 0.17,564 0.38,565 0.932,566 433.521,568 0.017,569 0.229,570 -0.119,571 -0.234,572 0.131,573 0.416,574 0.092,575 -0.079,576 0.028,577 0.416,578 -0.079,579 -0.156,580 -0.096,581 -0.15,582 -0.054,583 -0.069,584 -0.093,585 -0.23,586 -0.135,587 0.01,588 0.018,589 -0.159,590 -0.022,591 -0.118,592 -0.076,593 0.158,594 -0.055,595 -0.174,596 -0.001,597 0.101,598 -0.144,599 0.06,600 -0.223,601 -0.003,602 -0.07,603 0.401,604 0.227,605 -0.101,606 0.102,607 0.403,608 -0.058,609 -0.112,610 0.07,611 -0.046,612 0.092,613 -0.082,614 0.021,615 6.366,616 6.436,617 0.485,618 103.361,619 1.07,620 1.114,621 -1.225,622 1.5,623 0.726,624 4.277,625 4.736,626 4.934,627 5.236,628 5.572,629 5.79,630 5.958,631 5.979,632 6.089,633 6.054,634 13.076,635 0.728,636 1031.07,637 4.277,638 5.911,639 6.77,640 7.71,641 8.6,642 9.539,643 10.443,644 11.381,645 12.294,646 13.232,647 4.3,652 4,658 4,659 16,664 12,666 34,667 2,675 92,676 49,677 6,678 71,679 97,680 35,681 32,682 16,683 16,684 2,685 6,686 8,687 1,692 35,695 15,697 6,698 15,702 3,705 26,706 25,707 10,708 31,709 6,712 4,714 0.667,715 21,728 6,731 2,737 6,739 4,741 6,744 66,747 6,748 6,751 4,760 22.8,761 6,762 15,767 38.833,768 15.783,769 13.278,770 4.367,773 7.583,774 1.727,775 0.982,776 13.153,777 18.008,778 4.644,779 5.412,780 5.893,781 6.549,782 7.222,783 7.709,784 8.202,785 8.491,786 8.903,787 9.04,788 1,789 120,790 38.499,791 28.824,792 8.836,793 42.947,794 36.902,795 3.336,796 220.167,799 188.338,800 210.334,801 72.043,802 575.889,803 8.034,804 202.299,805 764.227,806 72.043,808 72.043,809 394.231,810 350.722,811 36.994,812 4.276,813 188.338,815 188.338,816 274.342,817 575.889,818 8.034,820 188.338,821 341.312,822 234.577,823 72.043,824 202.299,825 8.034,827 188.338,828 647.932,829 210.334,831 8.034,832 188.338,833 50.68,834 151.62,835 72.043,836 575.889,837 188.338,838 647.932,839 210.334,841 0.624,842 0.331,843 0.167,844 0.106,845 55,846 31,847 0.124,848 12,849 2,850 1.125,851 6.172,852 824.177,853 0.125,854 32,855 322.93,859 6,860 49.676,861 17.476,862 11.105,863 -3.34,864 647.932,865 14.071,870 -8.948,872 306.62,873 1046.6,874 103,876 -31.886,877 185.587,881 -3.132,883 98.459,884 102.478,885 0.304,886 0.544,887 0.651,888 0.753,889 0.794,890 0.823,891 5.955,892 2.895,893 6.895,894 9.683,895 5.425,896 6.103,897 4.727,898 7.847,899 5.33,900 7.297,901 2.758,902 8.565,903 9.683,904 5.557,905 6.568,906 1.195,907 9.282,908 5.367,909 8.729,910 2.728,911 10.347,912 8.807,913 7.272,914 8.625,915 6.796,916 12.289,917 7.039,918 10.197,919 2.525,920 12.193,921 8.766,922 8.081,923 9.774,924 2.324,925 14.414,926 7.736,927 11.691,928 2.299,929 14.076,930 7.46,931 9.439,932 11.478,933 8.929,934 17.083,935 9.044,936 13.204,937 2.083,938 15.985,939 6.901,940 10.497,941 12.877,942 3.407,943 19.456,944 9.995,945 14.731,946 2.018,947 17.91,948 6.593,949 11.751,950 14.481,951 11.072,952 22.028,953 11.188,954 3.541,955 1.834,956 19.848,957 6.401,958 12.906,959 15.977,960 4.464,961 24.498,962 12.245,963 3.541,964 13.158,965 21.795,966 5.372,967 14.131,968 17.551,969 13.218,970 27.042,971 13.4,972 3.318,973 13.158,974 23.749,975 4.992,976 15.326,977 19.088,978 5.504,979 29.553,980 14.506,981 3.318,982 12.051,983 25.71,984 4.992,985 16.547,986 20.657,987 15.364,988 32.093,989 15.653,990 3.252,991 12.051,992 27.675,993 4.663,994 17.76,995 22.213,996 6.531,997 34.623,998 16.783,999 3.252,1000 11.602,1001 29.643,1002 4.663,1003 18.984,1004 23.783,1005 17.511,1006 37.166,1007 17.933,1008 2.914,1009 11.602,1010 31.615,1011 4.595,1012 20.208,1013 25.35,1014 7.551,1015 39.707,1016 19.078,1017 100225,1018 220854,1019 43.054,1020 66.829,1021 112.123,1022 126.117,1023 115.254,1024 111.458,1025 111.247,1026 156.745,1027 43.138,1028 361.472,1029 106.802,1030 5.883,1031 7.205,1032 6.982,1033 5.535,1034 5.541,1035 7.992,1036 5.85,1037 21.229,1038 5.306,1039 56.268,1040 1.579,1041 1.776,1042 1.623,1043 1.57,1044 1.567,1045 2.208,1046 0.608,1047 5.091,1048 1.504,1049 4.259,1050 4.235,1051 4.809,1052 4.255,1053 7.783,1054 4.194,1055 4.203,1056 4.178,1057 4.771,1058 4.206,1059 7.759,1060 4.144,1061 3.963,1062 3.988,1063 4.705,1064 3.91,1065 7.758,1066 3.88,1067 3.924,1068 3.93,1069 4.704,1070 3.909,1071 7.758,1072 3.837,1073 3.92,1074 3.836,1075 4.674,1076 3.877,1077 7.757,1078 3.773,1079 3.903,1080 3.835,1081 4.674,1082 3.838,1083 7.757,1084 3.773,1085 3.838,1086 3.731,1087 3.943,1088 3.81,1089 7.434,1090 3.654,1091 3.837,1092 3.729,1093 3.886,1094 3.808,1095 7.428,1096 3.653,1097 0.07,1098 0.073,1099 0.105,1100 0.063,1101 0.05,1102 4.999,1103 0.07,1104 5.205,1105 0.041,1106 7.434,1107 0.185,1108 4.477,1109 0.047,1110 3.541,1111 4.992,1112 2.925,1113 13.158,1114 3.306,1115 2.133,1116 2.148,1117 2.104,1118 2.168,1119 1.392,1120 2.195,1121 2.133,1122 2.148,1123 2.103,1124 2.168,1125 1.391,1126 2.195,1127 1.919,1128 1.895,1129 2.011,1130 2.03,1131 1.101,1132 2.025,1133 1.893,1134 1.871,1135 1.989,1136 1.982,1137 1.084,1138 1.987,1139 1.704,1140 1.767,1141 1.612,1142 1.798,1143 0.878,1144 1.851,1145 1.703,1146 1.766,1147 1.611,1148 1.797,1149 0.878,1150 1.851,1151 1.54,1152 1.638,1153 1.426,1154 1.691,1155 0.637,1156 1.738,1157 1.54,1158 1.638,1159 1.34,1160 1.684,1161 0.636,1162 1.737,1163 4.963,1165 6.389,1167 7.978,1169 9.645,1171 11.362,1175 58.526,1178 9.29,1184 67.014,1185 182.683,1186 326.354,1187 390.619,1188 452.129,1189 476.658,1190 494.168,1191 355.512,1192 10.425,1193 425.55,1194 475.83,1195 36,1196 13.734,1197 5.644,1198 5.044,1199 125.431,1200 543,1201 370,1202 0.112,1203 424.405,1204 763.99,1205 1027.31,1206 806293,1208 49.112,1209 0.744,1210 0.559,1211 50.612,1212 36.893,1213 30.228,1214 0.426,1215 0.364,1216 17.607,1217 24.298,1218 16.66,1219 13.683,1220 35.594,1221 25.846,1222 33.704,1223 0.298,1224 0.193,1225 41.952,1226 21.813,1227 22.903,1228 0.166,1229 0.103,1230 27.257,1231 14.235,1232 19.187,1233 0.103,1234 0.056,1235 22.857,1236 10.392,1237 16.676,1238 0.064,1239 0.033,1240 20.835,1241 8.522,1242 0.182,1243 247.396,1244 0.152,1245 53.442,1246 0.288,1247 368,1248 1549.43,1249 624.04,1250 1594.34,1251 2053.7,1252 1418,1253 435,1254 1288.24,1255 731.588,1256 1524.69,1257 2208.92,1258 1410,1259 6.689}
{0 CHEMBL2180136,1 1.49,2 6.45,3 3.833,4 14.689,5 74.787,6 7.695,7 0.545,8 3.67,9 3.762,10 3.274,11 3.213,12 4.807,13 3.211,14 4.184,15 4.32,16 3.656,17 3.561,18 5.361,19 3.551,20 4.416,21 4.585,22 3.725,23 3.66,24 5.502,25 3.652,26 4.394,27 4.565,28 3.733,29 3.61,30 5.609,31 3.623,32 4.352,33 4.48,34 3.66,35 3.588,36 5.731,37 3.597,38 4.267,39 4.42,40 3.388,41 3.601,42 5.392,43 3.518,44 4.307,45 4.526,46 3.012,47 3.532,48 5.205,49 3.352,50 4.244,51 4.545,52 2.218,53 3.197,54 4.932,55 2.901,56 0.024,57 0.46,58 6.616,59 3.305,60 5.215,61 3.931,62 0.279,63 0.742,64 12.819,65 5.338,66 23.235,67 6.639,68 0.33,69 0.903,70 17.85,71 6.434,72 26.551,73 7.755,74 0.26,75 0.883,76 17.466,77 6.133,78 27.828,79 7.354,80 0.576,81 0.813,82 16.705,83 5.573,84 60.985,85 5.942,86 0.209,87 0.763,88 14.464,89 6.385,90 31.675,91 7.638,92 0.17,93 0.804,94 16.048,95 7.022,96 25.798,97 9.312,98 0.242,99 0.719,100 17.641,101 6.574,102 27.907,103 9.373,104 13,105 31,106 0.273,107 0.554,108 0.639,109 0.722,110 0.743,111 0.743,112 3.06,113 0.891,114 -3.34,115 -3.32,116 -3.18,117 45.7,118 2,124 1,130 8,132 4,143 1,152 6,153 3,154 6,160 5,163 1,164 8,171 2,174 12,182 2,187 2,188 8,195 6,200 4,207 10,212 2,220 10,232 4,247 486,248 13.483,249 13.483,250 13.483,251 13.483,252 13.483,253 11.899,254 16.638,255 8.053,256 13.829,257 10.893,258 10.893,259 10.893,260 10.893,261 10.893,262 8.525,263 23.255,264 3.826,265 11.468,266 3.639,267 2.104,268 1.643,269 1.186,270 1.072,271 1.072,272 3.739,273 1,274 1,275 1,276 274,277 3.082,280 108.807,283 124.469,284 0.95,285 19.061,286 1,287 1,288 1,289 1,290 0.6,291 0.5,292 1,293 1,294 0.87,295 43.5,296 129,297 4.547,298 3.877,299 6.977,300 4.224,301 3.286,302 4.105,303 2.208,304 11.861,305 3.076,306 3.962,307 3.286,308 5.982,309 3.509,310 2.532,311 3.58,312 0.86,313 8.37,314 2.47,315 3.756,316 2.651,317 5.71,318 3.424,319 2.5,320 2.984,321 0.655,322 7.614,323 2.29,324 3.162,325 2.499,326 4.904,327 2.992,328 2.069,329 2.25,330 0.13,331 5.544,332 1.901,333 2.972,334 2.295,335 4.29,336 2.537,337 1.568,338 2.163,340 3.904,341 1.505,342 2.822,343 1.574,344 4.116,345 2.417,346 1.421,347 1.966,349 3.329,350 1.403,351 2.819,352 1.4,353 3.682,354 2.339,355 1.347,356 1.843,358 3.099,359 1.334,360 2.702,361 1.326,362 3.594,363 2.232,364 1.247,365 1.792,367 2.902,368 1.225,369 1.883,370 0.809,371 3.263,372 1.493,373 0.531,374 0.683,376 1.306,377 0.505,378 1.121,379 0.578,380 2.84,381 0.76,382 -0.158,383 -0.187,385 -0.448,386 -0.143,387 0.909,388 0.177,389 2.404,390 0.506,391 -0.445,392 -0.563,394 -1.091,395 -0.418,396 0.819,397 -0.169,398 2.24,399 0.472,400 -0.515,401 -0.64,403 -1.217,404 -0.496,405 0.591,406 -0.687,407 2,408 0.11,409 -0.879,410 -1,412 -2,413 -0.866,414 0.473,415 -0.811,416 2,417 0.006,418 -1,419 -1.257,421 -2.123,422 -1,423 0.211,424 -1,425 1.541,427 -1,428 -1.459,429 -2.517,430 -1.007,431 9.4,432 0.47,433 0.507,434 0.025,435 27.5,436 1.375,437 14.5,438 0.725,439 13,440 0.65,441 13.803,442 0.69,443 21.2,444 0.606,445 18.723,446 0.936,447 5.452,448 0.273,449 4.213,450 0.211,451 0.142,453 0.362,454 0.77,455 1.293,456 0.721,457 1.122,458 0.63,459 0.948,460 0.714,461 1.136,462 0.733,463 1.015,464 0.505,465 0.905,466 1.367,467 1.002,468 0.912,469 0.861,470 0.906,471 0.806,472 1.438,473 1.015,474 0.849,475 0.886,476 1.324,477 0.761,478 1.892,479 0.721,480 1.27,481 0.761,482 2.567,483 0.852,484 1.15,485 1.097,486 1.264,487 1.205,488 1.452,489 1.258,490 0.641,491 1.229,492 1.299,493 1.375,494 0.706,495 1.46,496 0.613,497 1.023,498 1.203,499 1.157,500 0.416,501 1.281,502 3.5,504 2,505 1.688,506 1.48,507 0.611,508 0.525,509 0.188,510 0.082,512 3202,513 8471,514 2.077,515 42.9,517 9,522 6,524 1.629,525 1.935,526 2.733,527 -0.787,529 1,530 1,532 52.167,533 1.49,534 3.025,535 3.486,536 3.943,537 4.058,538 4.058,539 2.133,540 3.209,541 4.294,542 2.848,543 541.103,544 7.391,545 5417.41,546 1,547 1,548 1,549 179.525,550 1.441,551 4.248,552 0.159,554 0.065,555 0.051,556 0.045,557 0.02,558 0.023,559 0.013,560 0.02,562 0.397,563 0.83,564 1,565 1.275,566 85.495,567 -0.018,568 -0.211,569 0.069,570 -0.116,571 -0.083,572 -0.028,573 0.283,574 -0.086,575 0.164,576 -0.046,577 0.188,578 0.014,579 -0.117,580 0.018,581 0.07,582 0.081,583 -0.075,584 0.105,585 -0.145,586 0.015,587 0.147,588 0.044,589 0.039,590 0.141,591 -0.163,592 0.322,593 -0.262,594 0.156,595 -0.194,596 -0.019,597 -0.196,598 -0.143,599 -0.367,600 -0.198,601 -0.206,602 -0.298,603 -0.06,604 -0.307,605 -0.388,606 -0.365,607 -0.112,608 -0.432,609 -0.013,610 -0.162,611 -0.172,612 -0.168,613 -0.028,614 -0.199,615 2.066,616 5.382,617 0.7,618 12.1,619 1.008,620 1.115,621 2.108,622 4.442,623 0.677,624 3.135,625 3.466,626 3.761,627 4.111,628 4.394,629 4.466,630 4.595,631 4.635,632 4.635,633 4.369,634 4.286,635 0.653,636 269.32,637 3.135,638 4.673,639 5.533,640 6.435,641 7.324,642 8.236,643 9.138,644 10.053,645 10.961,646 11.876,647 2.9,652 1,659 8,664 4,666 12,672 1,673 1,675 35,676 13,677 2,678 22,679 37,680 16,681 12,682 4,683 8,685 3,686 6,688 2,691 1,692 13,693 3,695 1,698 1,702 1,704 1,705 15,706 4,708 4,712 1,714 0.333,715 3,728 3,731 2,739 1,742 2,744 20,752 2,754 1,755 1,760 8.6,762 1,764 2,767 10.333,768 6.95,769 4.389,770 2.164,773 2.525,774 1.368,775 0.974,776 3.365,777 9.392,778 3.401,779 3.97,780 4.516,781 5.128,782 5.694,783 5.893,784 6.315,785 6.706,786 6.98,787 7.047,788 1,789 33,790 7.39,791 3.135,792 7.783,793 13.964,794 11.257,795 2.283,796 45.667,797 0.001,799 176.567,800 116.223,801 3.124,802 47.145,804 116.223,805 223.711,806 3.124,807 17.65,808 3.124,809 75.81,810 25.145,811 38,812 6.763,813 176.567,815 176.567,816 119.348,817 47.145,820 105.94,821 117.771,823 20.775,824 98.573,827 176.567,828 50.269,829 116.223,832 176.567,833 22.763,834 96.585,836 47.145,837 176.567,838 50.269,839 116.223,841 0.577,842 0.332,843 0.204,844 0.12,845 16,846 7,847 0.054,848 2,849 2,850 1.286,851 3.112,852 158.349,853 0.286,854 14,855 72.439,860 13.005,861 5.175,862 2.4,864 50.269,865 14.83,870 2.674,873 343.059,874 29,877 12.382,881 -0.4,883 35.269,884 39.033,885 0.291,886 0.59,887 0.68,888 0.769,889 0.791,890 0.791,891 4.635,892 1.247,893 5.525,894 3.099,895 4.143,896 4.654,897 2.456,898 6.378,899 4.038,900 5.83,901 0.531,902 7.102,903 2.902,904 3.761,905 4.369,906 1.847,907 7.383,908 3.577,909 7.13,910 -0.158,911 8.788,912 1.306,913 5.753,914 6.777,915 3.559,916 10.554,917 5.522,918 8.464,919 -0.445,920 10.54,921 -0.448,922 6.196,923 7.292,924 3.656,925 12.434,926 5.874,927 9.834,928 -0.515,929 12.336,930 -1.091,931 7.685,932 9.197,933 4.961,934 15.135,935 7.324,936 11.229,937 -0.879,938 14.163,939 -1.217,940 8.528,941 10.116,942 5.37,943 17.369,944 8.076,945 12.645,946 -1,947 16.013,948 -2,949 9.815,950 11.781,951 6.459,952 19.916,953 9.32,954 3.286,955 -1,956 17.879,957 -2.123,958 10.847,959 12.914,960 7.028,961 22.294,962 10.266,963 2.532,964 11.861,965 19.76,966 -2.517,967 12.06,968 14.455,969 7.994,970 24.79,971 11.428,972 2.5,973 8.37,974 21.65,975 4.105,976 13.177,977 15.706,978 8.654,979 27.225,980 12.466,981 2.069,982 7.614,983 23.549,984 3.58,985 14.367,986 17.182,987 9.549,988 29.705,989 13.596,990 1.568,991 5.544,992 25.455,993 2.984,994 15.522,995 18.499,996 10.263,997 32.162,998 14.677,999 1.421,1000 3.904,1001 27.367,1002 2.25,1003 16.706,1004 19.941,1005 11.116,1006 34.637,1007 15.799,1008 1.347,1009 3.329,1010 29.284,1011 2.163,1012 17.879,1013 21.296,1014 11.862,1015 37.104,1016 16.9,1017 3202,1018 5328,1019 14.622,1020 23.699,1021 33.523,1022 34.189,1023 34.354,1024 33.068,1025 33.005,1026 42.733,1027 7.706,1028 95.857,1029 31.418,1030 5.429,1031 5.877,1032 6.663,1033 5.337,1034 5.286,1035 7.105,1036 3.912,1037 19.392,1038 5.076,1039 9.148,1040 1.524,1041 1.554,1042 1.562,1043 1.503,1044 1.5,1045 1.942,1046 0.35,1047 4.357,1048 1.428,1049 4.032,1050 4.052,1051 3.997,1052 3.928,1053 7.433,1054 3.94,1055 3.758,1056 3.788,1057 3.686,1058 3.707,1059 4.96,1060 3.698,1061 3.645,1062 3.691,1063 3.524,1064 3.445,1065 4.615,1066 3.447,1067 3.28,1068 3.312,1069 3.188,1070 3.044,1071 4.499,1072 3.079,1073 2.999,1074 3.018,1075 2.917,1076 2.815,1077 4.19,1078 2.831,1079 2.874,1080 3.009,1081 2.717,1082 2.674,1083 3.855,1084 2.655,1085 2.823,1086 2.856,1087 2.628,1088 2.618,1089 3.636,1090 2.632,1091 2.786,1092 2.85,1093 2.499,1094 2.594,1095 3.583,1096 2.57,1097 0.207,1098 0.176,1099 0.317,1100 0.192,1101 0.149,1102 4.547,1103 0.187,1104 3.877,1105 0.1,1106 6.977,1107 0.539,1108 4.224,1109 0.14,1110 3.286,1111 4.105,1112 2.208,1113 11.861,1114 3.076,1115 1.967,1116 1.948,1117 2.05,1118 2.088,1119 1.153,1120 2.074,1121 1.772,1122 1.744,1123 1.902,1124 1.849,1125 1.051,1126 1.869,1127 1.606,1128 1.55,1129 1.887,1130 1.832,1131 0.978,1132 1.848,1133 1.159,1134 1.127,1135 1.417,1136 1.434,1137 0.469,1138 1.384,1139 0.934,1140 0.903,1141 1.277,1142 1.239,1143 0.341,1144 1.308,1145 0.933,1146 0.804,1147 1.156,1148 1.151,1149 0.199,1150 1.143,1151 0.817,1152 0.754,1153 1.109,1154 0.999,1155 0.165,1156 1.035,1157 0.717,1158 0.707,1159 0.872,1160 0.991,1162 0.976,1163 3.807,1165 5.13,1167 6.671,1169 8.324,1171 10.041,1172 3.659,1179 11.148,1181 -0.176,1182 1.55,1184 22.853,1185 52.167,1186 105.873,1187 122.015,1188 138.015,1189 142.015,1190 142.015,1191 27.984,1192 6.867,1193 44.37,1194 44.37,1195 18,1196 12.389,1197 3.807,1198 3,1199 29.552,1200 49,1201 52,1202 0.3,1203 140.359,1204 245.37,1205 334.236,1206 7600,1208 14.113,1209 0.706,1210 0.568,1211 14.113,1212 11.368,1213 9.665,1214 0.439,1215 0.297,1216 6.438,1217 9.259,1218 6.244,1219 5.219,1220 9.665,1221 6.532,1222 8.837,1223 0.285,1224 0.155,1225 8.837,1226 4.805,1227 7.03,1228 0.167,1229 0.07,1230 7.03,1231 2.951,1232 6.522,1233 0.109,1234 0.036,1235 6.522,1236 2.156,1237 5.436,1238 0.068,1239 0.019,1240 5.436,1241 1.488,1242 0.437,1243 60.699,1244 0.262,1245 19.165,1246 0.932,1247 106,1248 334.852,1249 120.041,1250 315.152,1251 437.7,1252 296,1253 126,1254 335.498,1255 139.741,1256 332.468,1257 493.93,1258 314,1259 5}
{0 CHEMBL2180137,1 1.444,2 8.917,3 4.69,4 21.994,5 90.234,6 8.137,7 0.667,8 3.79,9 3.872,10 3.448,11 3.396,12 4.959,13 3.394,14 4.275,15 4.382,16 3.802,17 3.754,18 5.476,19 3.738,20 4.506,21 4.663,22 3.879,23 3.842,24 5.602,25 3.82,26 4.531,27 4.696,28 3.825,29 3.745,30 5.71,31 3.747,32 4.434,33 4.569,34 3.802,35 3.694,36 5.776,37 3.7,38 4.374,39 4.525,40 3.573,41 3.659,42 5.604,43 3.615,44 4.318,45 4.517,46 3.353,47 3.628,48 5.34,49 3.525,50 4.2,51 4.42,52 3.277,53 3.577,54 5.122,55 3.456,56 0.022,57 0.478,58 6.374,59 3.472,60 4.999,61 3.935,62 0.276,63 0.785,64 11.841,65 5.628,66 20.637,67 6.467,68 0.199,69 1.009,70 17.103,71 7.365,72 20.129,73 8.725,74 0.324,75 1.02,76 19.263,77 7.24,78 34.82,79 7.768,80 0.465,81 0.879,82 16.864,83 6.661,84 46.119,85 6.979,86 0.298,87 0.846,88 15.772,89 6.446,90 44.499,91 6.821,92 0.249,93 0.825,94 15.802,95 6.629,96 34.403,97 8.039,98 0.109,99 0.742,100 13.852,101 6.325,102 18.047,103 8.5,104 2,105 37,106 0.253,107 0.467,108 0.568,109 0.731,110 0.792,111 0.792,112 3.229,113 0.855,114 -4.05,115 -4,116 -3.79,117 51.3,122 1,130 13,131 1,132 4,143 1,152 12,153 3,154 5,160 10,163 1,164 10,171 5,174 12,182 2,187 2,188 13,195 6,200 8,207 8,212 3,220 10,224 2,232 14,237 2,244 14,247 856,248 16.759,249 16.759,250 16.759,251 16.759,252 16.759,253 14.424,254 17.713,255 10.164,256 17.067,257 13.376,258 13.376,259 13.376,260 13.376,261 13.376,262 9.955,263 24.579,264 4.852,265 13.894,266 3.841,267 2.621,268 2.045,269 1.119,270 0.769,271 0.769,272 3.934,274 1,275 1,276 476,277 2.828,280 211.035,283 161.234,284 1.194,285 20.258,286 1,287 1,288 1,289 1,290 0.6,292 1,293 1,294 0.8,295 51.5,296 214,297 4.546,298 3.87,299 6.976,300 4.222,301 3.284,302 4.105,303 2.224,304 11.854,305 3.075,306 3.962,307 3.28,308 5.982,309 3.528,310 2.554,311 3.58,312 0.869,313 8.37,314 2.498,315 3.909,316 2.765,317 5.695,318 3.509,319 2.532,320 3.447,321 0.86,322 7.554,323 2.47,324 3.701,325 2.651,326 5.339,327 3.325,328 2.378,329 2.951,330 0.501,331 6.942,332 2.223,333 3.038,334 2.354,335 4.677,336 2.649,337 1.714,338 2.188,340 4.732,341 1.589,342 2.957,343 1.744,344 4.116,345 2.498,346 1.515,347 2.145,349 3.329,350 1.484,351 2.888,352 1.574,353 3.743,354 2.429,355 1.432,356 2.028,358 3.208,359 1.422,360 2.819,361 1.4,362 3.62,363 2.339,364 1.347,365 1.966,367 3.07,368 1.334,369 2.702,370 1.326,371 3.594,372 2.232,373 1.247,374 1.792,376 2.902,377 1.225,378 2.5,379 1.258,380 3.379,381 2,382 1,383 1.5,385 2.136,386 1,387 1.948,388 1,389 3.247,390 1.611,391 0.684,392 0.835,394 1.665,395 0.628,396 1.721,397 0.781,398 2.923,399 1.327,400 0.367,401 0.463,403 0.846,404 0.345,405 1.12,406 0.307,407 2.752,408 0.734,409 -0.213,410 -0.267,412 -0.589,413 -0.199,414 0.909,415 0.015,416 2.404,417 0.506,418 -0.445,419 -0.563,421 -1.091,422 -0.418,423 0.789,424 -0.169,425 2.109,426 0.387,427 -0.608,428 -0.795,429 -1.338,430 -0.6,431 11.4,432 0.475,433 0.432,434 0.018,435 36,436 1.5,437 20.5,438 0.854,439 15.5,440 0.646,441 14.566,442 0.607,443 24,444 0.615,445 25.347,446 1.056,447 7.422,448 0.309,449 4.404,450 0.184,451 0.029,453 0.298,454 0.758,455 1.137,456 0.673,457 0.987,458 0.599,459 0.847,460 0.766,461 1.115,462 0.859,463 1.023,464 0.596,465 0.974,466 1.016,467 1.172,468 0.869,469 1.068,470 0.77,471 0.963,472 1.73,473 0.974,474 1.034,475 0.907,476 1.488,477 0.843,478 1.599,479 0.953,480 1.015,481 0.923,482 1.699,483 0.873,484 1.684,485 1.014,486 1.296,487 1.014,488 2.241,489 1.071,490 1.056,491 0.877,492 1.186,493 0.935,494 1.342,495 1.056,496 0.361,497 0.87,498 0.884,499 0.968,500 0.416,501 1.013,502 3,503 0.033,504 2.222,505 1.5,506 1.631,507 0.59,508 0.422,509 0.247,510 0.083,511 0.054,512 6333,513 16557,514 2.187,515 38.5,517 15,524 1.674,525 2.118,526 3.116,527 -0.823,532 56.334,533 1.444,534 2.665,535 3.24,536 4.166,537 4.516,538 4.516,539 2.442,540 3.918,541 4.556,542 3.271,543 902.705,544 7.887,545 10379.7,546 1,549 206.131,550 1.099,551 4.546,552 0.111,553 0.004,554 0.06,555 0.038,556 0.045,557 0.017,558 0.015,559 0.011,560 0.004,561 0.003,562 0.308,563 0.67,564 1,565 0.382,566 112.256,567 -0.015,568 -0.149,569 0.066,570 -0.074,571 -0.064,572 -0.007,573 0.234,574 -0.107,575 -0.028,576 -0.107,577 0.084,578 -0.122,579 0.019,580 -0.16,581 0.069,582 -0.128,583 0.007,584 -0.043,585 -0.224,586 0.058,588 0.031,589 -0.084,590 0.059,591 0.048,592 0.025,593 -0.005,594 0.022,595 0.126,596 0.007,597 -0.309,598 -0.037,599 -0.317,600 -0.062,601 -0.297,602 -0.166,603 -0.18,604 0.088,605 -0.204,606 0.054,607 -0.209,608 -0.053,609 0.056,610 0.066,611 0.065,612 0.049,613 0.047,614 0.058,615 2.095,616 5.745,617 0.833,618 18.306,619 1.007,620 1.103,621 2.821,622 7.959,623 0.71,624 3.332,625 3.638,626 3.951,627 4.263,628 4.554,629 4.575,630 4.727,631 4.844,632 4.905,633 4.812,634 5.424,635 0.689,636 317.36,637 3.332,638 4.86,639 5.72,640 6.603,641 7.486,642 8.38,643 9.273,644 10.173,645 11.073,646 11.976,647 2.6,652 1,659 13,664 5,666 18,672 1,673 1,675 39,676 19,677 3,678 27,679 42,680 20,681 18,682 5,683 13,685 4,686 7,692 19,693 1,695 1,698 1,702 1,704 1,705 15,706 4,708 4,712 1,714 0.5,715 3,728 4,731 2,739 2,744 24,749 1,752 2,755 1,760 7.7,762 1,764 2,767 11.333,768 7.033,769 5.306,770 2.261,773 3.287,774 1.443,775 1.021,776 3.931,777 10.706,778 3.638,779 4.212,780 4.773,781 5.349,782 5.916,783 6.011,784 6.419,785 6.828,786 7.136,787 7.272,788 0.833,789 39,790 8.862,791 3.801,792 7.729,793 16.811,794 13.733,795 2.229,796 53.5,799 176.567,800 153.732,801 3.124,802 47.145,804 153.732,805 223.711,806 3.124,808 7.717,809 123.191,810 25.145,811 41.186,812 6.763,813 176.567,815 176.567,816 156.856,817 47.145,820 176.567,821 47.145,823 7.717,824 149.14,827 176.567,828 50.269,829 153.732,832 176.567,833 30.541,834 126.316,836 47.145,837 176.567,838 50.269,839 153.732,841 0.571,842 0.341,843 0.2,844 0.117,845 19,846 7,847 0.071,848 3,849 2,850 1.2,851 3.649,852 203.628,853 0.2,854 20,855 94.039,860 14.79,861 6.379,862 2.895,864 50.269,865 24.463,870 3.56,873 380.568,874 37,877 12.745,881 -0.429,883 39.269,884 43.033,885 0.273,886 0.504,887 0.613,888 0.788,889 0.854,890 0.854,891 4.848,892 1.347,893 5.68,894 3.208,895 4.317,896 4.898,897 2.551,898 6.5,899 4.236,900 6.032,901 1.247,902 7.232,903 3.07,904 3.761,905 4.46,906 1.847,907 7.438,908 3.61,909 7.32,910 1,911 8.895,912 2.902,913 5.894,914 7.024,915 3.625,916 10.612,917 5.711,918 8.644,919 0.684,920 10.628,921 2.136,922 6.236,923 7.421,924 3.656,925 12.467,926 5.96,927 10.003,928 0.367,929 12.409,930 1.665,931 7.789,932 9.419,933 5.029,934 15.157,935 7.488,936 11.387,937 -0.213,938 14.224,939 0.846,940 8.571,941 10.24,942 5.393,943 17.381,944 8.17,945 12.792,946 -0.445,947 16.063,948 -0.589,949 9.885,950 11.964,951 6.536,952 19.922,953 9.448,954 3.284,955 -0.608,956 17.92,957 -1.091,958 10.881,959 13.022,960 7.074,961 22.295,962 10.348,963 2.554,964 11.854,965 19.793,966 -1.338,967 12.102,968 14.598,969 8.082,970 24.788,971 11.52,972 2.532,973 8.37,974 21.677,975 4.105,976 13.2,977 15.795,978 8.72,979 27.221,980 12.529,981 2.378,982 7.554,983 23.57,984 3.58,985 14.389,986 17.29,987 9.648,988 29.7,989 13.66,990 1.714,991 6.942,992 25.471,993 3.447,994 15.534,995 18.569,996 10.348,997 32.156,998 14.723,999 1.515,1000 4.732,1001 27.379,1002 2.951,1003 16.716,1004 20.02,1005 11.226,1006 34.63,1007 15.841,1008 1.432,1009 3.329,1010 29.292,1011 2.188,1012 17.883,1013 21.35,1014 11.964,1015 37.096,1016 16.932,1017 5932,1018 9730,1019 18.781,1020 27.699,1021 40.495,1022 41.185,1023 40.826,1024 40.142,1025 40.11,1026 54.002,1027 8.907,1028 113.217,1029 38.586,1030 5.455,1031 5.87,1032 6.778,1033 5.335,1034 5.284,1035 7.105,1036 3.973,1037 19.386,1038 5.075,1039 5.656,1040 1.5,1041 1.525,1042 1.512,1043 1.487,1044 1.486,1045 2,1046 0.33,1047 4.193,1048 1.429,1049 4.036,1050 4.056,1051 4,1052 3.933,1053 7.433,1054 3.944,1055 3.901,1056 3.93,1057 3.828,1058 3.84,1059 4.961,1060 3.833,1061 3.758,1062 3.788,1063 3.686,1064 3.707,1065 4.77,1066 3.698,1067 3.43,1068 3.437,1069 3.384,1070 3.154,1071 4.615,1072 3.203,1073 3.103,1074 3.16,1075 2.984,1076 2.951,1077 4.348,1078 2.952,1079 2.991,1080 3.015,1081 2.902,1082 2.813,1083 4.189,1084 2.827,1085 2.854,1086 2.925,1087 2.699,1088 2.735,1089 3.806,1090 2.715,1091 2.8,1092 2.856,1093 2.687,1094 2.674,1095 3.674,1096 2.655,1097 0.168,1098 0.143,1099 0.258,1100 0.156,1101 0.122,1102 4.546,1103 0.152,1104 3.87,1105 0.082,1106 6.976,1107 0.439,1108 4.222,1109 0.114,1110 3.284,1111 4.105,1112 2.224,1113 11.854,1114 3.075,1115 1.968,1116 1.949,1117 2.051,1118 2.089,1119 1.154,1120 2.074,1121 1.902,1122 1.875,1123 2.03,1124 1.988,1125 1.13,1126 2.004,1127 1.772,1128 1.744,1129 1.902,1130 1.849,1131 0.978,1132 1.869,1133 1.282,1134 1.261,1135 1.481,1136 1.577,1137 0.615,1138 1.53,1139 1.077,1140 1.026,1141 1.249,1142 1.279,1143 0.337,1144 1.283,1145 0.932,1146 0.9,1147 1.181,1148 1.146,1149 0.218,1150 1.142,1151 0.886,1152 0.821,1153 1.156,1154 1.062,1155 0.199,1156 1.107,1157 0.817,1158 0.754,1159 1.109,1160 0.991,1161 0.165,1162 1.035,1163 4.007,1165 5.313,1167 6.843,1169 8.479,1171 10.174,1176 0.224,1179 11.384,1182 1.553,1184 26.853,1185 56.334,1186 103.919,1187 126.373,1188 162.479,1189 176.131,1190 176.131,1191 31.389,1192 7.419,1193 44.37,1194 44.37,1195 24,1196 12.497,1197 4.322,1198 3.459,1199 33.685,1200 74,1201 88,1202 0.215,1203 162.553,1204 283.39,1205 388.389,1206 16958,1208 16.355,1209 0.681,1210 0.537,1211 16.355,1212 12.885,1213 11.826,1214 0.438,1215 0.285,1216 7.597,1217 11.434,1218 7.46,1219 6.189,1220 11.826,1221 7.695,1222 10.289,1223 0.278,1224 0.146,1225 10.289,1226 5.413,1227 8.942,1228 0.175,1229 0.075,1230 8.942,1231 3.82,1232 7.789,1233 0.111,1234 0.038,1235 7.789,1236 2.685,1237 6.837,1238 0.073,1239 0.02,1240 6.837,1241 1.874,1242 0.327,1243 73.761,1244 0.231,1245 23.104,1246 0.618,1247 128,1248 388.852,1249 141.377,1250 371.523,1251 516.85,1252 350,1253 152,1254 390.589,1255 166.073,1256 392.158,1257 580.3,1258 370,1259 5.186}
{0 CHEMBL2180138,1 1.428,2 9.68,3 5.176,4 26.791,5 95.275,6 7.89,7 0.643,8 3.853,9 3.941,10 3.484,11 3.454,12 5,13 3.444,14 4.35,15 4.472,16 3.848,17 3.818,18 5.517,19 3.795,20 4.568,21 4.721,22 3.93,23 3.924,24 5.662,25 3.893,26 4.644,27 4.827,28 3.859,29 3.841,30 5.778,31 3.818,32 4.527,33 4.688,34 3.829,35 3.757,36 5.809,37 3.747,38 4.411,39 4.556,40 3.618,41 3.706,42 5.639,43 3.66,44 4.433,45 4.649,46 3.398,47 3.68,48 5.41,49 3.574,50 4.243,51 4.457,52 3.369,53 3.626,54 5.196,55 3.514,56 0.012,57 0.521,58 7.377,59 3.848,60 5.112,61 4.52,62 0.276,63 0.86,64 13.964,65 6.312,66 22.165,67 7.607,68 0.166,69 1.079,70 18.433,71 7.944,72 19.315,73 9.608,74 0.305,75 1.144,76 22.506,77 8.374,78 37.13,79 9.692,80 0.463,81 0.974,82 19.859,83 7.559,84 49.131,85 8.591,86 0.246,87 0.88,88 16.424,89 6.728,90 43.012,91 7.402,92 0.311,93 0.919,94 19.094,95 7.481,96 38.855,97 9.237,98 0.065,99 0.777,100 14.302,101 6.627,102 14.946,103 8.96,104 5,105 39,106 0.247,107 0.506,108 0.629,109 0.757,110 0.79,111 0.79,112 3.268,113 0.868,114 -4.27,115 -4.21,116 -3.98,117 50,118 1,122 1,130 12,131 2,132 4,143 1,152 13,153 3,154 5,160 12,163 1,164 10,171 7,174 12,182 3,187 2,188 13,195 6,200 9,207 8,212 3,220 10,224 4,232 14,237 2,244 14,247 954,248 17.206,249 17.206,250 17.206,251 17.206,252 17.206,253 14.846,254 20.138,255 10.25,256 17.514,257 13.842,258 13.842,259 13.842,260 13.842,261 13.842,262 10.359,263 26.049,264 4.887,265 14.36,266 3.964,267 2.468,268 1.757,269 1.018,270 0.827,271 0.827,272 3.97,274 1,275 1,276 536,277 2.915,280 225.255,283 173.321,284 1.344,285 20.558,287 1,288 1,289 1,290 0.6,292 1,293 1,294 0.8,295 53.5,296 242,297 4.546,298 3.87,299 6.976,300 4.222,301 3.284,302 4.105,303 2.224,304 11.854,305 3.075,306 4.015,307 3.281,308 5.982,309 3.618,310 2.629,311 3.615,312 0.869,313 8.37,314 2.603,315 3.962,316 2.825,317 5.696,318 3.509,319 2.532,320 3.58,321 0.86,322 7.561,323 2.47,324 3.72,325 2.651,326 5.41,327 3.354,328 2.416,329 2.965,330 0.501,331 7.125,332 2.244,333 3.408,334 2.427,335 4.898,336 3.075,337 2.089,338 2.689,340 5.707,341 2.059,342 3.019,343 2.335,344 4.665,345 2.614,346 1.672,347 2.178,349 4.698,350 1.556,351 2.942,352 1.575,353 4.116,354 2.471,355 1.486,356 2.095,358 3.329,359 1.458,360 2.819,361 1.472,362 3.726,363 2.339,364 1.347,365 1.966,367 3.163,368 1.334,369 2.702,370 1.4,371 3.594,372 2.232,373 1.247,374 1.792,376 2.902,377 1.225,378 2.5,379 1.326,380 3.426,381 2,382 1,383 1.5,385 2.275,386 1,387 1.974,388 1,389 3.414,390 1.665,391 0.739,392 0.881,394 1.78,395 0.677,396 1.777,397 0.785,398 2.98,399 1.391,400 0.42,401 0.531,403 0.978,404 0.401,405 1.124,406 0.411,407 2.796,408 0.803,409 -0.143,410 -0.171,412 -0.346,413 -0.134,414 1.094,415 0.202,416 2.404,417 0.695,418 -0.29,419 -0.374,421 -0.702,422 -0.281,423 0.909,424 -0.169,425 2.196,426 0.506,427 -0.445,428 -0.563,429 -1.091,430 -0.418,431 11.9,432 0.476,433 0.538,434 0.022,435 36.5,436 1.46,437 20.5,438 0.82,439 16,440 0.64,441 16.491,442 0.66,443 25.3,444 0.602,445 26.184,446 1.047,447 7.463,448 0.299,449 4.757,450 0.19,451 0.07,453 0.328,454 0.756,455 1.15,456 0.701,457 1.008,458 0.612,459 0.874,460 0.747,461 1.056,462 0.806,463 0.963,464 0.567,465 0.91,466 1.016,467 1.223,468 0.92,469 1.127,470 0.782,471 1.026,472 1.619,473 0.992,474 1.026,475 0.938,476 1.411,477 0.882,478 1.519,479 0.902,480 0.943,481 0.87,482 1.61,483 0.82,484 1.697,485 1.124,486 1.31,487 1.122,488 2.26,489 1.146,490 1.266,491 0.765,492 1.146,493 0.805,494 1.382,495 0.929,496 0.328,497 0.99,498 0.837,499 1.038,500 0.348,501 1.029,502 4,503 0.124,504 2.667,505 1.563,506 1.822,507 0.646,508 0.461,509 0.302,510 0.115,511 0.116,512 7122,513 17856,514 2.154,515 40.5,516 3,517 14,524 1.683,525 2.055,526 3.206,527 -0.83,532 59.997,533 1.428,534 2.924,535 3.636,536 4.374,537 4.565,538 4.565,539 2.623,540 3.894,541 4.614,542 3.374,543 1012.23,544 7.997,545 12010.9,549 226.477,550 1.26,551 4.592,552 0.143,553 0.01,554 0.068,555 0.038,556 0.049,557 0.018,558 0.016,559 0.013,560 0.005,561 0.006,562 0.365,563 0.5,564 1,565 0.477,566 119.216,567 -0.008,568 -0.141,569 0.067,570 -0.069,571 -0.067,572 -0.005,573 0.253,574 -0.037,575 0.06,576 -0.024,577 0.12,578 -0.024,579 0.017,580 -0.208,582 -0.186,583 -0.008,584 -0.114,585 -0.176,586 0.027,587 0.01,588 0.005,589 -0.063,590 0.039,591 0.091,592 0.074,593 0.094,594 0.085,595 0.168,596 0.092,597 -0.286,598 -0.143,599 -0.347,600 -0.176,601 -0.272,602 -0.255,603 -0.218,604 0.201,605 -0.124,606 0.185,607 -0.226,608 0.072,609 0.084,610 -0.048,611 0.081,612 -0.028,613 0.111,614 0.016,615 2.094,616 5.812,617 0.8,618 19.926,619 1.004,620 1.106,621 3.044,622 9.267,623 0.701,624 3.367,625 3.689,626 3.989,627 4.29,628 4.595,629 4.615,630 4.745,631 4.875,632 4.934,633 4.875,634 5.732,635 0.676,636 331.39,637 3.367,638 4.905,639 5.765,640 6.65,641 7.533,642 8.427,643 9.319,644 10.218,645 11.116,646 12.018,647 2.4,652 1,659 12,664 6,666 18,672 1,673 1,675 42,676 19,677 3,678 28,679 45,680 21,681 18,682 6,683 12,685 4,686 7,688 1,692 19,693 2,695 1,698 1,702 1,705 17,706 4,708 4,712 1,714 0.5,715 3,728 4,731 2,739 2,742 1,744 25,749 1,752 2,755 1,760 7.1,762 1,764 2,767 12.167,768 7.95,769 5.472,770 2.456,773 3.315,774 1.441,775 1.013,776 4.162,777 10.827,778 3.664,779 4.256,780 4.81,781 5.38,782 5.961,783 6.064,784 6.43,785 6.849,786 7.146,787 7.3,788 1,789 41,790 9.238,791 3.951,792 7.707,793 17.585,794 14.376,795 2.207,796 55.167,798 1,799 200.109,800 156.267,801 3.124,802 47.145,804 156.267,805 247.253,806 3.124,807 8.825,808 7.717,809 113.715,810 25.145,811 44.371,812 6.763,813 200.109,815 200.109,816 159.391,817 47.145,820 200.109,821 47.145,823 16.542,824 142.849,827 200.109,828 50.269,829 156.267,832 200.109,833 33.726,834 125.664,836 47.145,837 200.109,838 50.269,839 156.267,841 0.578,842 0.342,843 0.194,844 0.117,845 20,846 8,847 0.067,848 3,849 2,850 1.2,851 3.714,852 214.68,853 0.2,854 20,855 100.096,860 15.731,861 6.614,862 3.108,864 50.269,865 22.796,870 4.743,873 406.644,874 38,877 12.812,881 -0.427,883 42.153,884 46.448,885 0.265,886 0.542,887 0.674,888 0.811,889 0.847,890 0.847,891 4.887,892 1.347,893 5.74,894 3.329,895 4.369,896 4.942,897 2.551,898 6.561,899 4.292,900 6.084,901 1.247,902 7.298,903 3.163,904 3.892,905 4.605,906 1.847,907 7.499,908 3.76,909 7.381,910 1,911 8.961,912 2.902,913 5.958,914 7.087,915 3.625,916 10.651,917 5.788,918 8.712,919 0.739,920 10.691,921 2.275,922 6.33,923 7.544,924 3.656,925 12.489,926 6.081,927 10.075,928 0.42,929 12.465,930 1.78,931 7.849,932 9.49,933 5.029,934 15.174,935 7.567,936 11.461,937 -0.143,938 14.271,939 0.978,940 8.636,941 10.345,942 5.393,943 17.389,944 8.264,945 12.866,946 -0.29,947 16.102,948 -0.346,949 9.932,950 12.038,951 6.536,952 19.928,953 9.521,954 3.284,955 -0.445,956 17.952,957 -0.702,958 10.926,959 13.114,960 7.074,961 22.298,962 10.423,963 2.629,964 11.854,965 19.818,966 -1.091,967 12.137,968 14.671,969 8.082,970 24.79,971 11.583,972 2.532,973 8.37,974 21.697,975 4.105,976 13.231,977 15.877,978 8.72,979 27.222,980 12.589,981 2.416,982 7.561,983 23.586,984 3.615,985 14.415,986 17.359,987 9.648,988 29.7,989 13.712,990 2.089,991 7.125,992 25.484,993 3.58,994 15.556,995 18.642,996 10.348,997 32.156,998 14.771,999 1.672,1000 5.707,1001 27.389,1002 2.965,1003 16.734,1004 20.084,1005 11.226,1006 34.63,1007 15.883,1008 1.486,1009 4.698,1010 29.3,1011 2.689,1012 17.898,1013 21.414,1014 11.964,1015 37.096,1016 16.969,1017 6709,1018 10782,1019 19.186,1020 29.46,1021 42.195,1022 42.913,1023 42.93,1024 41.752,1025 41.725,1026 55.797,1027 8.907,1028 119.482,1029 40.203,1030 5.456,1031 5.87,1032 6.661,1033 5.335,1034 5.284,1035 7.105,1036 3.973,1037 19.386,1038 5.075,1039 8.894,1040 1.507,1041 1.533,1042 1.533,1043 1.491,1044 1.49,1045 1.993,1046 0.318,1047 4.267,1048 1.436,1049 4.038,1050 4.057,1051 4.001,1052 3.935,1053 7.433,1054 3.946,1055 3.925,1056 3.953,1057 3.856,1058 3.867,1059 4.961,1060 3.861,1061 3.758,1062 3.788,1063 3.686,1064 3.707,1065 4.759,1066 3.698,1067 3.454,1068 3.47,1069 3.399,1070 3.214,1071 4.615,1072 3.241,1073 3.213,1074 3.271,1075 3.08,1076 3.035,1077 4.353,1078 3.05,1079 3.005,1080 3.031,1081 2.919,1082 2.818,1083 4.19,1084 2.835,1085 2.91,1086 2.982,1087 2.758,1088 2.735,1089 3.844,1090 2.715,1091 2.854,1092 2.925,1093 2.687,1094 2.706,1095 3.756,1096 2.711,1097 0.162,1098 0.138,1099 0.249,1100 0.151,1101 0.117,1102 4.546,1103 0.147,1104 3.87,1105 0.079,1106 6.976,1107 0.423,1108 4.222,1109 0.11,1110 3.284,1111 4.105,1112 2.224,1113 11.854,1114 3.075,1115 1.968,1116 1.949,1117 2.058,1118 2.089,1119 1.18,1120 2.075,1121 1.926,1122 1.9,1123 2.045,1124 2.008,1125 1.151,1126 2.024,1127 1.772,1128 1.744,1129 1.902,1130 1.849,1131 0.978,1132 1.869,1133 1.353,1134 1.315,1135 1.616,1136 1.612,1137 0.76,1138 1.594,1139 1.161,1140 1.118,1141 1.35,1142 1.403,1143 0.416,1144 1.398,1145 0.938,1146 0.907,1147 1.221,1148 1.178,1149 0.33,1150 1.196,1151 0.902,1152 0.828,1153 1.181,1154 1.133,1155 0.218,1156 1.14,1157 0.886,1158 0.821,1159 1.155,1160 1.062,1161 0.199,1162 1.107,1163 4.043,1165 5.361,1167 6.895,1169 8.531,1171 10.225,1172 2.025,1176 0.223,1179 11.437,1182 1.558,1184 28.38,1185 59.997,1186 122.829,1187 152.703,1188 183.722,1189 191.722,1190 191.722,1191 34.067,1192 7.512,1193 44.37,1194 44.37,1195 24,1196 12.539,1197 4.322,1198 3.459,1199 35.818,1200 82,1201 104,1202 0.207,1203 172.145,1204 300.69,1205 411.794,1206 19159,1208 17.225,1209 0.689,1210 0.552,1211 17.225,1212 13.807,1213 12.22,1214 0.436,1215 0.289,1216 8.008,1217 11.827,1218 7.798,1219 6.495,1220 12.22,1221 8.106,1222 10.91,1223 0.28,1224 0.152,1225 10.91,1226 5.913,1227 9.353,1228 0.176,1229 0.077,1230 9.353,1231 4.098,1232 7.931,1233 0.11,1234 0.039,1235 7.931,1236 2.795,1237 7.121,1238 0.073,1239 0.021,1240 7.121,1241 2.044,1242 0.318,1243 76.124,1244 0.228,1245 24.012,1246 0.585,1247 134,1248 396.852,1249 147.377,1250 380.38,1251 529.4,1252 358,1253 159,1254 400.589,1255 173.073,1256 403.878,1257 596.48,1258 380,1259 5}
{0 CHEMBL2180149,1 1.238,2 8.857,3 5.787,4 33.488,5 113.596,6 7.418,7 0.75,8 3.987,9 4.089,10 3.573,11 3.667,12 5.076,13 3.623,14 4.484,15 4.613,16 3.957,17 4.077,18 5.53,19 4.02,20 4.801,21 4.976,22 4.126,23 4.26,24 5.815,25 4.189,26 4.926,27 5.109,28 4.178,29 4.329,30 5.979,31 4.255,32 5.004,33 5.192,34 4.197,35 4.43,36 6.025,37 4.336,38 5.05,39 5.26,40 4.084,41 4.442,42 5.996,43 4.309,44 4.988,45 5.233,46 3.834,47 4.292,48 5.86,49 4.121,50 4.783,51 5.061,52 3.389,53 3.953,54 5.611,55 3.746,56 0.047,57 0.57,58 9.457,59 4.405,60 11.4,61 5.775,62 0.079,63 0.974,64 16.251,65 7.308,66 12.952,67 9.687,68 0.134,69 1.368,70 24.339,71 10.537,72 25.626,73 14.057,74 0.284,75 1.567,76 28.628,77 11.734,78 41.567,79 15.27,80 0.241,81 1.668,82 30.964,83 13.207,84 43.22,85 17.337,86 0.21,87 1.752,88 32.932,89 14.54,90 41.834,91 19.678,92 0.147,93 1.674,94 32.07,95 14.367,96 37.124,97 20.075,98 0.161,99 1.375,100 27.83,101 12.107,102 38.033,103 16.852,104 2,105 46,106 0.206,107 0.383,108 0.486,109 0.647,110 0.758,111 0.797,112 3.377,113 0.897,114 -6.16,115 -6.01,116 -5.58,117 53.1,122 1,126 1,130 18,131 4,132 2,152 20,154 5,159 3,160 23,164 6,169 4,171 18,174 5,177 1,179 6,182 22,188 3,193 3,195 36,200 2,205 1,207 39,212 1,217 2,220 30,229 2,232 18,242 1,244 12,247 976,248 19.592,249 19.592,250 19.592,251 19.592,252 19.592,253 16.751,254 19.716,255 11.773,256 19.708,257 15.847,258 15.847,259 15.847,260 15.847,261 15.847,262 11.778,263 29.536,264 5.583,265 16.085,266 4.377,267 3.309,268 2.69,269 1.719,270 1.051,271 0.816,272 4.091,275 1,276 554,277 2.739,280 298.795,283 177.376,284 1.439,285 14.433,287 0.75,288 0.83,289 1,290 0.6,291 0.5,292 1,293 1,294 0.81,295 57.5,296 248,297 4.921,298 4.284,299 8.178,300 4.725,301 3.753,302 4.392,303 2.169,304 15.881,305 3.643,306 4.126,307 3.246,308 6.632,309 3.864,310 2.915,311 3.58,312 0.916,313 10.479,314 2.769,315 3.962,316 2.632,317 6.233,318 3.524,319 2.532,320 3.566,321 0.172,322 8.805,323 2.512,324 3.865,325 2.63,326 5.542,327 3.454,328 2.458,329 3.424,331 7.051,332 2.449,333 3.493,334 2.229,335 5.289,336 3.096,337 2.11,338 2.798,340 6.153,341 2.075,342 3.1,343 1.754,344 4.48,345 2.662,346 1.675,347 2.338,349 3.869,350 1.651,351 2.884,352 1.525,353 4.326,354 2.44,355 1.443,356 2.048,358 3.439,359 1.439,360 2.819,361 1.386,362 3.766,363 2.345,364 1.347,365 1.966,367 3.096,368 1.343,369 2.775,370 1.379,371 3.628,372 2.315,373 1.315,374 1.899,376 2.938,377 1.314,378 2.702,379 1.317,380 3.626,381 2.242,382 1.247,383 1.792,385 2.919,386 1.24,387 2.5,388 1,389 3.442,390 2,391 1,392 1.5,394 2.136,395 1,396 2.5,397 1,398 3.44,399 2,400 1,401 1.5,403 2.136,404 1,405 2.282,406 0.972,407 3.247,408 1.842,409 0.861,410 1.199,412 2.129,413 0.842,414 1.998,415 0.857,416 3.247,417 1.648,418 0.689,419 0.873,421 1.9,422 0.657,423 1.045,424 0.059,425 2.912,426 0.743,427 -0.233,428 -0.281,429 -0.595,430 -0.226,431 13.733,432 0.49,433 0.562,434 0.02,435 41.5,436 1.482,437 24.5,438 0.875,439 17,440 0.607,441 20.442,442 0.73,443 27.067,444 0.552,445 31.618,446 1.129,447 8.341,448 0.298,449 5.441,450 0.194,451 0.024,452 0.036,453 0.248,454 0.94,455 0.952,456 0.792,457 0.838,458 1.022,459 0.812,460 0.957,461 1.112,462 0.915,463 1.003,464 0.866,465 0.959,466 1.119,467 1.125,468 0.885,469 1.007,470 0.964,471 0.939,472 1.697,473 1,474 1.01,475 0.942,476 1.508,477 0.928,478 1.536,479 0.935,480 1.049,481 0.935,482 1.423,483 0.955,484 1.023,485 1.001,486 1.113,487 1.041,488 1.06,489 1.078,490 0.501,491 1.07,492 1.07,493 1.131,494 0.572,495 1.137,496 0.773,497 0.993,498 1.055,499 1.067,500 0.903,501 1.081,502 4,503 0.016,504 3.556,505 2.813,506 2.178,507 1.09,508 0.524,509 0.373,510 0.171,511 0.024,512 8676,513 19102,514 2.213,515 42.9,517 20,520 1,524 1.722,525 2.14,526 3.068,527 -0.5,532 60.671,533 1.238,534 2.306,535 2.925,536 3.896,537 4.563,538 4.798,539 2.71,540 3.396,541 4.776,542 3.215,543 1215.26,544 8.369,545 14862.7,549 275.121,550 1.223,551 4.761,552 0.125,553 0.002,554 0.077,555 0.053,556 0.04,557 0.019,558 0.01,559 0.01,560 0.008,561 0.002,562 0.346,563 0.67,564 0.75,565 0.343,566 134.988,567 -0.04,568 0.007,569 0.047,570 0.06,571 -0.176,572 0.056,573 -0.004,574 -0.121,575 -0.044,576 -0.101,577 -0.073,578 -0.079,579 0.073,580 -0.123,581 0.059,582 -0.072,583 0.094,584 -0.017,585 0.005,586 0.027,587 -0.026,588 -0.006,589 0.036,590 -0.016,591 -0.161,592 0.053,593 -0.082,594 0.019,595 -0.079,596 -0.018,597 -0.137,598 -0.037,599 -0.153,600 -0.064,601 -0.136,602 -0.103,603 0.016,604 -0.112,605 -0.09,606 -0.126,607 0.015,608 -0.116,609 0.007,610 -0.032,611 -0.015,612 -0.033,613 0.001,614 -0.026,615 2.429,616 6.104,617 0.929,618 22.429,619 0.985,620 1.099,621 4.933,622 24.334,623 0.716,624 3.497,625 3.85,626 4.234,627 4.595,628 4.934,629 5.069,630 5.283,631 5.425,632 5.533,633 5.525,634 5.27,635 0.674,636 363.48,637 3.497,638 5.056,639 5.953,640 6.874,641 7.802,642 8.741,643 9.682,644 10.63,645 11.578,646 12.53,647 2,653 1,659 18,664 6,666 24,671 1,675 49,676 24,677 4,678 32,679 53,680 26,681 24,682 6,683 18,685 5,686 8,690 1,692 24,693 2,694 1,705 21,706 2,707 1,708 2,712 1,714 0.6,715 1,718 1,728 5,731 2,737 1,739 3,744 28,748 1,749 1,755 1,756 1,760 2,761 1,767 13.083,768 8.65,769 6.111,770 2.91,773 3.617,774 1.454,775 1.01,776 4.088,777 11.585,778 3.807,779 4.419,780 5.05,781 5.666,782 6.274,783 6.508,784 7.013,785 7.466,786 7.876,787 8.161,788 1,789 53,790 10.385,791 4.569,792 7.527,793 20.202,794 17.331,795 2.027,796 56.75,799 235.422,800 190.934,801 3.124,802 42.683,804 190.934,805 278.105,806 3.124,808 2.106,809 213.256,811 21.38,813 235.422,815 235.422,816 194.058,817 42.683,820 235.422,822 42.683,823 5.23,824 188.828,827 235.422,828 45.808,829 190.934,832 235.422,833 20.361,834 173.697,836 42.683,837 235.422,838 45.808,839 190.934,841 0.577,842 0.357,843 0.217,844 0.13,845 25,846 9,847 0.057,848 3,849 2,850 1.154,851 3.808,852 275.775,853 0.154,854 26,855 107.851,860 16.941,861 6.757,862 2.7,864 45.808,865 36.753,870 6.019,872 42.683,873 472.164,874 44,883 48.265,884 53.86,885 0.221,886 0.411,887 0.521,888 0.694,889 0.813,890 0.855,891 5.043,892 1.347,893 5.958,894 3.439,895 4.533,896 5.106,897 2.173,898 6.903,899 4.496,900 6.258,901 1.315,902 7.595,903 3.096,904 4.205,905 4.718,906 2.345,907 8.323,908 4.104,909 7.58,910 1.247,911 9.37,912 2.938,913 6.256,914 7.286,915 3.217,916 11.551,917 6.163,918 8.949,919 1,920 11.237,921 2.919,922 6.889,923 7.774,924 3.889,925 13.899,926 6.728,927 10.363,928 1,929 13.168,930 2.136,931 8.411,932 9.762,933 4.666,934 16.761,935 8.248,936 11.81,937 0.861,938 15.142,939 2.136,940 9.459,941 10.692,942 5.424,943 19.399,944 9.242,945 13.285,946 0.689,947 17.147,948 2.129,949 10.817,950 12.409,951 6.197,952 22.182,953 10.583,954 3.753,955 -0.233,956 19.175,957 1.9,958 12.031,959 13.582,960 6.969,961 24.907,962 11.755,963 2.915,964 15.881,965 21.22,966 -0.595,967 13.347,968 15.166,969 7.743,970 27.674,971 13.048,972 2.532,973 10.479,974 23.277,975 4.392,976 14.624,977 16.474,978 8.517,979 30.426,980 14.291,981 2.458,982 8.805,983 25.345,984 3.58,985 15.935,986 17.994,987 9.291,988 33.191,989 15.575,990 2.11,991 7.051,992 27.419,993 3.566,994 17.237,995 19.377,996 10.065,997 35.951,998 16.846,999 1.675,1000 6.153,1001 29.5,1002 3.424,1003 18.551,1004 20.868,1005 10.839,1006 38.716,1007 18.132,1008 1.443,1009 3.869,1010 31.584,1011 2.798,1012 19.863,1013 22.294,1014 11.613,1015 41.479,1016 19.414,1017 8052,1018 12040,1019 22.246,1020 35.074,1021 49.355,1022 48.241,1023 49.726,1024 48.75,1025 48.686,1026 65.75,1027 6.515,1028 145.863,1029 47.868,1030 5.792,1031 6.284,1032 7.98,1033 5.765,1034 5.753,1035 7.392,1036 2.978,1037 24.72,1038 5.643,1039 6.071,1040 1.542,1041 1.508,1042 1.554,1043 1.523,1044 1.521,1045 2.055,1046 0.204,1047 4.558,1048 1.496,1049 4.111,1050 4.134,1051 4.071,1052 4.047,1053 6.448,1054 4.05,1055 3.893,1056 3.924,1057 3.821,1058 3.838,1059 4.845,1060 3.83,1061 3.824,1062 3.856,1063 3.751,1064 3.766,1065 4.733,1066 3.759,1067 3.758,1068 3.788,1069 3.686,1070 3.707,1071 4.692,1072 3.698,1073 3.266,1074 3.336,1075 3.148,1076 3.116,1077 4.615,1078 3.115,1079 3.211,1080 3.237,1081 3.127,1082 3.087,1083 3.98,1084 3.09,1085 2.867,1086 2.928,1087 2.739,1088 2.76,1089 3.743,1090 2.748,1091 2.854,1092 2.925,1093 2.687,1094 2.735,1095 3.674,1096 2.715,1097 0.154,1098 0.134,1099 0.256,1100 0.148,1101 0.117,1102 4.921,1103 0.137,1104 4.284,1105 0.068,1106 8.178,1107 0.496,1108 4.725,1109 0.114,1110 3.753,1111 4.392,1112 2.169,1113 15.881,1114 3.643,1115 2.062,1116 2.043,1117 2.137,1118 2.142,1119 1.337,1120 2.142,1121 1.903,1122 1.874,1123 2.029,1124 1.983,1125 1.141,1126 2,1127 1.833,1128 1.804,1129 1.962,1130 1.914,1131 1.025,1132 1.933,1133 1.772,1134 1.744,1135 1.902,1136 1.849,1137 0.978,1138 1.869,1139 1.251,1140 1.187,1141 1.489,1142 1.447,1143 0.67,1144 1.465,1145 1.178,1146 1.149,1147 1.339,1148 1.349,1149 0.483,1150 1.341,1151 0.886,1152 0.828,1153 1.181,1154 1.062,1155 0.225,1156 1.107,1157 0.886,1158 0.821,1159 1.181,1160 1.062,1161 0.218,1162 1.107,1163 4.174,1165 5.517,1167 7.104,1169 8.808,1171 10.581,1175 12.104,1176 0.75,1182 2.303,1183 -1.179,1184 33.004,1185 60.671,1186 113.003,1187 143.333,1188 190.882,1189 223.611,1190 235.121,1191 39.451,1192 7.969,1193 23.47,1194 23.47,1195 30,1196 13.019,1197 4.644,1198 3.7,1199 37.177,1200 92,1201 96,1202 0.214,1203 198.866,1204 341.07,1205 476.993,1206 29638,1208 18.976,1209 0.678,1210 0.553,1211 18.976,1212 15.494,1213 13.782,1214 0.431,1215 0.299,1216 9.526,1217 13.639,1218 9.301,1219 7.707,1220 13.782,1221 9.567,1222 12.214,1223 0.266,1224 0.156,1225 12.214,1226 7.182,1227 11.152,1228 0.164,1229 0.082,1230 11.152,1231 5.544,1232 9.968,1233 0.102,1234 0.043,1235 9.968,1236 4.231,1237 8.855,1238 0.064,1239 0.023,1240 8.855,1241 3.199,1242 0.316,1243 83.729,1244 0.212,1245 25.712,1246 0.654,1247 156,1248 339.795,1249 161.516,1250 347.108,1251 499.32,1252 328,1253 192,1254 386.551,1255 198.986,1256 399.595,1257 597.24,1258 380,1259 6.22}
{0 CHEMBL2180160,1 1.591,2 7.875,3 4.954,4 24.54,5 93.084,6 8.652,7 0.667,8 3.791,9 3.86,10 3.668,11 3.467,12 4.891,13 3.424,14 4.304,15 4.406,16 4.002,17 3.849,18 5.644,19 3.801,20 4.552,21 4.681,22 4.162,23 4.004,24 5.763,25 3.935,26 4.643,27 4.786,28 4.17,29 3.99,30 5.941,31 3.93,32 4.596,33 4.723,34 4.071,35 3.963,36 6.027,37 3.919,38 4.495,39 4.621,40 3.782,41 3.908,42 5.799,43 3.832,44 4.504,45 4.709,46 3.364,47 3.741,48 5.579,49 3.612,50 4.2,51 4.464,52 2.874,53 3.405,54 4.978,55 3.212,56 0.073,57 0.509,58 8.547,59 3.887,60 13,61 4.022,62 0.255,63 0.838,64 12.49,65 6.275,66 38.461,67 6.931,68 0.222,69 1.109,70 20.591,71 8.895,72 24.466,73 9.091,74 0.389,75 1.22,76 27.207,77 10.027,78 52.126,79 9.198,80 0.569,81 1.097,82 24.2,83 9.232,84 77.968,85 8.662,86 0.25,87 0.972,88 20.059,89 8.554,90 51.107,91 8.769,92 0.364,93 0.991,94 18.95,95 8.047,96 60.066,97 9.474,98 0.149,99 0.748,100 15.58,101 6.719,102 20.845,103 9.227,104 10,105 40,106 0.278,107 0.489,108 0.61,109 0.749,110 0.767,111 0.767,112 3.231,113 0.999,114 -4.02,115 -3.97,116 -3.76,117 48.7,118 1,130 12,131 1,132 5,152 11,153 3,154 4,160 10,163 1,164 14,171 6,174 14,182 2,187 2,188 11,195 10,200 9,207 18,212 2,220 16,224 1,232 10,237 1,244 6,247 794,248 16.187,249 16.187,250 16.187,251 16.187,252 16.187,253 13.717,254 17.69,255 9.415,256 16.489,257 13.338,258 13.338,259 13.338,260 13.338,261 13.338,262 9.666,263 24.848,264 4.462,265 13.896,266 3.694,267 2.482,268 1.789,269 0.994,270 0.891,271 0.891,272 3.926,274 1,275 1,276 417,277 3.082,280 198.594,283 154.791,284 1.156,285 29.881,287 1,288 1,289 1,290 0.6,292 1,293 1,294 0.8,295 51.5,296 189,297 4.996,298 4.736,299 7.814,300 4.546,301 3.616,302 4.804,303 0.86,304 14.423,305 3.347,306 4.35,307 3.421,308 6.608,309 3.906,310 2.973,311 3.98,312 0.4,313 10.301,314 2.759,315 3.962,316 2.651,317 5.982,318 3.509,319 2.532,320 3.58,322 8.37,323 2.47,324 3.836,325 2.589,326 5.515,327 3.402,328 2.407,329 3.392,331 6.722,332 2.392,333 3.226,334 2.437,335 5.05,336 2.884,337 1.954,338 2.433,340 5.962,341 1.811,342 3,343 1.656,344 4.598,345 2.524,346 1.547,347 2.178,349 4.352,350 1.502,351 2.946,352 1.487,353 4.116,354 2.433,355 1.439,356 2.123,358 3.329,359 1.43,360 2.819,361 1.4,362 3.756,363 2.339,364 1.347,365 1.966,367 3.162,368 1.334,369 2.702,370 1.326,371 3.594,372 2.232,373 1.247,374 1.792,376 2.902,377 1.225,378 2.5,379 1,380 3.484,381 2,382 1,383 1.5,385 2.275,386 1,387 1.923,388 0.722,389 3.414,390 1.518,391 0.554,392 0.733,394 1.403,395 0.531,396 1.129,397 0.411,398 2.92,399 0.792,400 -0.154,401 -0.189,403 -0.396,404 -0.143,405 1.116,406 0.01,407 2.724,408 0.715,409 -0.253,410 -0.328,412 -0.633,413 -0.244,414 1,415 -0.169,416 2.411,417 0.506,418 -0.445,419 -0.563,421 -1.091,422 -0.418,423 0.909,424 -0.398,425 2.404,426 0.11,427 -0.879,428 -1.257,429 -2.123,430 -0.866,431 11.733,432 0.489,433 0.687,434 0.029,435 37,436 1.542,437 22,438 0.917,439 15,440 0.625,441 15.567,442 0.649,443 24.267,444 0.622,445 27.437,446 1.143,447 7.186,448 0.299,449 4.384,450 0.183,451 0.099,452 0.071,453 0.29,454 0.514,455 1.173,456 0.767,457 1.152,458 0.657,459 0.855,460 0.638,461 1.094,462 0.742,463 0.921,464 0.576,465 0.879,466 1.075,467 1.189,468 1.064,469 1.109,470 0.843,471 0.944,472 1.625,473 1.035,474 1.294,475 1.107,476 1.517,477 0.868,478 1.568,479 0.816,480 1.209,481 0.935,482 1.842,483 0.811,484 1.26,485 1.133,486 1.342,487 1.255,488 1.529,489 1.201,490 1.217,491 0.875,492 0.971,493 0.842,494 1.316,495 1.16,496 0.362,497 0.938,498 0.726,499 0.905,500 0.195,501 1.146,502 5,503 0.025,504 3.556,505 2.438,506 2.28,507 1.139,508 0.441,509 0.215,510 0.2,511 0.076,512 5517,513 15050,514 2.125,515 38.5,516 3,517 12,524 1.679,525 1.986,526 2.926,527 -0.782,532 62.062,533 1.591,534 2.804,535 3.496,536 4.292,537 4.394,538 4.394,539 2.428,540 3.554,541 4.557,542 3.052,543 842.43,544 7.919,545 9320.71,546 1,549 206.131,550 1.564,551 4.509,552 0.185,553 0.012,554 0.089,555 0.055,556 0.053,557 0.026,558 0.013,559 0.01,560 0.015,561 0.011,562 0.47,563 0.5,564 1,565 0.566,566 109.594,567 0.127,568 -0.162,569 0.235,570 -0.119,571 -0.166,572 0.013,573 0.282,574 -0.079,575 0.127,577 0.23,578 -0.022,579 -0.014,580 -0.139,581 0.053,582 -0.056,583 0.027,584 -0.031,585 -0.207,586 0.043,587 -0.028,588 0.012,589 -0.068,590 0.058,591 -0.047,592 0.191,593 -0.109,594 0.1,595 -0.027,596 0.09,597 -0.209,598 -0.203,599 -0.407,600 -0.284,601 -0.157,602 -0.282,603 -0.242,604 0.04,605 -0.243,606 -0.02,607 -0.274,608 -0.181,609 0.081,610 -0.059,611 0.054,612 -0.031,613 0.055,614 -0.036,615 4.669,616 6.294,617 0.833,618 15.597,619 1.009,620 1.101,621 2.789,622 7.78,623 0.727,624 3.332,625 3.714,626 4.043,627 4.369,628 4.691,629 4.779,630 4.905,631 5.017,632 5.081,633 4.963,634 4.771,635 0.693,636 337.42,637 3.332,638 4.905,639 5.79,640 6.711,641 7.622,642 8.552,643 9.474,644 10.408,645 11.335,646 12.271,647 2.6,653 1,659 12,664 6,666 18,673 1,675 39,676 20,677 3,678 27,679 42,680 19,681 18,682 6,683 12,685 4,686 7,688 1,692 18,693 1,695 2,697 1,698 2,705 15,706 4,708 5,709 1,712 1,714 0.5,715 3,728 4,731 2,739 2,741 1,742 1,744 24,746 1,752 1,755 1,760 7.7,762 2,764 1,767 12.083,768 7.367,769 5.111,770 2.244,773 3.364,774 1.451,775 1.044,776 3.502,777 10.827,778 3.664,779 4.337,780 4.903,781 5.502,782 6.097,783 6.333,784 6.715,785 7.105,786 7.445,787 7.64,788 1,789 44,790 9.157,791 4.291,792 7.851,793 16.882,794 14.39,795 2.351,796 56.417,799 176.567,800 149.084,801 1.519,802 55.313,803 5.807,804 143.277,805 231.879,806 1.519,807 8.825,809 119.522,810 44.313,811 33.255,813 176.567,815 176.567,816 144.795,817 55.313,818 5.807,820 176.567,821 55.313,823 10.344,824 134.452,825 5.807,827 176.567,828 56.831,829 149.084,831 5.807,832 176.567,833 20.737,834 124.059,836 55.313,837 176.567,838 56.831,839 149.084,841 0.594,842 0.356,843 0.201,844 0.122,845 22,846 9,847 0.048,848 2,849 2,850 1.2,851 3.434,852 216.278,853 0.2,854 20,855 92.039,859 1,860 15.095,861 5.568,862 2.471,864 56.831,865 21.126,870 3.323,873 382.482,874 38,876 -3.752,877 26.589,883 39.345,884 42.953,885 0.301,886 0.53,887 0.662,888 0.812,889 0.831,890 0.831,891 4.916,892 1.347,893 5.826,894 3.329,895 4.394,896 5.024,897 1.029,898 6.756,899 4.305,900 6.175,901 1.247,902 7.463,903 3.162,904 4.205,905 5.075,907 8.104,908 4.008,909 7.542,910 1,911 9.225,912 2.902,913 6.133,914 7.362,915 0.763,916 11.256,917 5.914,918 8.954,919 0.554,920 11.067,921 2.275,922 6.792,923 8.243,925 13.467,926 6.444,927 10.407,928 -0.154,929 12.962,930 1.403,931 8.256,932 10.053,933 0.597,934 16.251,935 7.875,936 11.889,937 -0.253,938 14.894,939 -0.396,940 9.278,941 11.299,943 18.76,944 8.774,945 13.394,946 -0.445,947 16.853,948 -0.633,949 10.592,950 12.939,951 0.47,952 21.452,953 10.035,954 3.616,955 -0.879,956 18.832,957 -1.091,958 11.764,959 14.351,961 24.063,962 11.099,963 2.973,964 14.423,965 20.827,966 -2.123,967 13.038,968 15.931,969 0.367,970 26.734,971 12.305,972 2.532,973 10.301,974 22.834,975 4.804,976 14.27,977 17.421,979 29.38,980 13.443,981 2.407,982 8.37,983 24.851,984 3.98,985 15.538,986 18.982,987 0.283,988 32.047,989 14.636,990 1.954,991 6.722,992 26.874,993 3.58,994 16.796,995 20.509,997 34.707,998 15.807,999 1.547,1000 5.962,1001 28.904,1002 3.392,1003 18.067,1004 22.067,1005 0.217,1006 37.374,1007 17,1008 1.439,1009 4.352,1010 30.939,1011 2.433,1012 19.337,1013 23.613,1015 40.038,1016 18.188,1017 5269,1018 8876,1019 18.087,1020 28.347,1021 41.556,1022 42.209,1023 42.678,1024 41.318,1025 41.232,1026 56.961,1027 2.52,1028 126.398,1029 39.6,1030 5.867,1031 6.736,1032 7.499,1033 5.659,1034 5.616,1035 7.804,1036 1.72,1037 22.948,1038 5.347,1039 9.97,1040 1.539,1041 1.563,1042 1.581,1043 1.53,1044 1.527,1045 2.11,1046 0.093,1047 4.681,1048 1.467,1049 4.142,1050 4.131,1051 4.746,1052 4.11,1053 7.715,1054 4.045,1055 3.923,1056 3.938,1057 3.918,1058 3.862,1059 6.999,1060 3.855,1061 3.758,1062 3.788,1063 3.721,1064 3.707,1065 4.956,1066 3.698,1067 3.622,1068 3.596,1069 3.686,1070 3.564,1071 4.701,1072 3.48,1073 3.07,1074 3.149,1075 2.945,1076 2.91,1077 4.615,1078 2.903,1079 3.002,1080 3.025,1081 2.864,1082 2.822,1083 4.19,1084 2.826,1085 2.88,1086 2.925,1087 2.786,1088 2.742,1089 3.849,1090 2.715,1091 2.854,1092 2.925,1093 2.687,1094 2.735,1095 3.774,1096 2.714,1097 0.185,1098 0.175,1099 0.289,1100 0.168,1101 0.134,1102 4.996,1103 0.178,1104 4.736,1105 0.032,1106 7.814,1107 0.534,1108 4.546,1109 0.124,1110 3.616,1111 4.804,1112 0.86,1113 14.423,1114 3.347,1115 2.023,1116 2.026,1117 2.052,1118 2.113,1119 1.247,1120 2.128,1121 1.909,1122 1.891,1123 2.014,1124 1.987,1125 1.118,1126 2.004,1127 1.772,1128 1.744,1129 1.902,1130 1.849,1131 0.978,1132 1.869,1133 1.467,1134 1.496,1135 1.528,1136 1.599,1137 0.744,1138 1.653,1139 1.072,1140 1.002,1141 1.208,1142 1.297,1143 0.417,1144 1.34,1145 0.936,1146 0.907,1147 1.181,1148 1.152,1149 0.218,1150 1.145,1151 0.886,1152 0.821,1153 1.153,1154 1.062,1155 0.201,1156 1.107,1157 0.839,1158 0.804,1159 1.109,1160 1.03,1161 0.165,1162 1.057,1163 4.007,1165 5.371,1167 6.957,1169 8.647,1171 10.393,1172 1.926,1179 5.852,1182 1.353,1184 27.041,1185 62.062,1186 109.337,1187 136.356,1188 167.376,1189 171.376,1190 171.376,1191 42.079,1192 7.463,1193 52.21,1194 60.59,1195 24,1196 12.77,1197 4.392,1198 3.585,1199 33.447,1200 65,1201 84,1202 0.249,1203 167.019,1204 287.24,1205 399.286,1206 16505,1208 16.734,1209 0.697,1210 0.576,1211 16.984,1212 13.825,1213 11.571,1214 0.429,1215 0.333,1216 7.601,1217 10.506,1218 7.278,1219 6.052,1220 12.359,1221 8.992,1222 10.956,1223 0.274,1224 0.185,1225 12.238,1226 7.407,1227 9.391,1228 0.168,1229 0.102,1230 10.705,1231 5.689,1232 8.09,1233 0.104,1234 0.055,1235 9.452,1236 4.256,1237 7.132,1238 0.066,1239 0.03,1240 8.472,1241 3.286,1242 0.367,1243 79.604,1244 0.235,1245 22.487,1246 0.768,1247 134,1248 395.712,1249 185.483,1250 404.568,1251 562.64,1252 374,1253 163,1254 402.715,1255 226.609,1256 444.118,1257 658.76,1258 418,1259 5}
{0 CHEMBL2180171,1 1.443,2 9.76,3 4.364,4 19.042,5 96.938,6 7.684,7 0.643,8 3.869,9 3.973,10 3.477,11 3.472,12 4.991,13 3.454,14 4.363,15 4.502,16 3.822,17 3.842,18 5.474,19 3.802,20 4.638,21 4.833,22 3.897,23 3.943,24 5.665,25 3.892,26 4.629,27 4.823,28 3.84,29 3.881,30 5.722,31 3.836,32 4.604,33 4.797,34 3.799,35 3.853,36 5.806,37 3.8,38 4.558,39 4.767,40 3.593,41 3.802,42 5.642,43 3.705,44 4.499,45 4.737,46 3.364,47 3.696,48 5.458,49 3.564,50 4.33,51 4.578,52 3.261,53 3.578,54 5.223,55 3.448,56 0.014,57 0.575,58 7.987,59 3.808,60 5.216,61 4.736,62 0.164,63 0.946,64 14.335,65 6.323,66 16.017,67 8.081,68 0.215,69 1.211,70 21.707,71 8.402,72 25.085,73 10.838,74 0.221,75 1.192,76 21.891,77 8.072,78 31.314,79 10.071,80 0.393,81 1.165,82 21.505,83 7.725,84 49.567,85 9.693,86 0.194,87 1.102,88 20.524,89 7.973,90 39.36,91 10.276,92 0.221,93 1.014,94 20.47,95 7.944,96 38.36,97 10.466,98 0.164,99 0.845,100 17.438,101 7.059,102 26.314,103 9.527,104 2,105 38,106 0.248,107 0.501,108 0.607,109 0.752,110 0.806,111 0.806,112 3.267,113 0.89,114 -4.27,115 -4.21,116 -3.98,117 48.8,119 1,122 1,130 13,131 1,132 4,143 1,152 13,153 1,154 4,157 2,159 1,160 12,163 1,164 8,169 1,171 7,174 8,179 4,182 3,187 1,188 6,191 1,193 6,195 6,200 6,205 3,207 8,212 5,220 8,224 3,232 10,237 2,244 14,247 976,248 17.466,249 17.466,250 17.466,251 17.466,252 17.466,253 15.131,254 18.666,255 10.65,256 17.714,257 13.876,258 13.876,259 13.876,260 13.876,261 13.876,262 10.455,263 23.489,264 5.08,265 14.3,266 3.984,267 2.517,268 1.901,269 1.062,270 0.744,271 0.744,272 3.972,274 1,275 1,276 542,277 3,280 229.636,283 174.635,284 1.347,285 17.86,286 1,287 1,288 1,289 1,290 0.6,292 1,293 1,294 0.8,295 53,296 244,297 4.546,298 3.803,299 6.976,300 4.225,301 3.284,302 4.105,303 1.701,304 11.854,305 3.085,306 3.962,307 3.238,308 5.982,309 3.527,310 2.532,311 3.58,312 0.86,313 8.37,314 2.521,315 3.899,316 2.72,317 5.691,318 3.509,319 2.532,320 3.445,321 0.563,322 7.529,323 2.47,324 3.719,325 2.651,326 5.34,327 3.369,328 2.416,329 2.959,330 0.075,331 6.963,332 2.29,333 3.04,334 2.349,335 4.694,336 2.698,337 1.751,338 2.185,340 4.793,341 1.65,342 2.958,343 1.696,344 4.116,345 2.525,346 1.537,347 2.14,349 3.329,350 1.512,351 2.918,352 1.574,353 3.758,354 2.467,355 1.472,356 2.071,358 3.252,359 1.46,360 2.819,361 1.4,362 3.651,363 2.339,364 1.347,365 1.966,367 3.126,368 1.334,369 2.702,370 1.365,371 3.594,372 2.232,373 1.247,374 1.792,376 2.902,377 1.225,378 2.5,379 1.326,380 3.44,381 2,382 1,383 1.5,385 2.231,386 1,387 2.217,388 1,389 3.247,390 1.983,391 1,392 1.167,394 2.136,395 0.978,396 1.867,397 0.785,398 3.089,399 1.482,400 0.51,401 0.654,403 1.232,404 0.491,405 1.139,406 0.398,407 2.834,408 0.882,409 -0.074,410 -0.086,412 -0.184,413 -0.07,414 1.112,415 0.19,416 2.406,417 0.705,418 -0.28,419 -0.362,421 -0.705,422 -0.274,423 0.909,424 -0.169,425 2.404,426 0.506,427 -0.445,428 -0.563,429 -1.091,430 -0.418,431 11.967,432 0.479,433 0.432,434 0.017,435 36.5,436 1.46,437 20.5,438 0.82,439 16,440 0.64,441 16.315,442 0.653,443 25.233,444 0.587,445 25.566,446 1.023,447 7.402,448 0.296,449 4.924,450 0.197,451 0.028,453 0.284,454 0.776,455 1.157,456 0.741,457 0.968,458 0.587,459 0.865,460 0.697,461 1.131,462 0.888,463 1.083,464 0.586,465 1.023,466 1.142,467 1.066,468 0.904,469 0.957,470 0.918,471 0.903,472 1.552,473 1.123,474 1.033,475 0.981,476 1.395,477 0.94,478 1.431,479 1.02,480 1.091,481 0.932,482 1.752,483 0.952,484 1.258,485 1.11,486 1.176,487 1.105,488 1.603,489 1.122,490 1.169,491 0.921,492 1.151,493 0.996,494 1.4,495 1.059,496 0.859,497 0.767,498 0.923,499 0.849,500 0.889,501 0.891,502 3,503 0.041,504 2.222,505 1.625,506 1.551,507 0.59,508 0.4,509 0.196,510 0.193,511 0.069,512 7374,513 18052,514 2.179,515 41.9,517 15,520 1,522 2,524 1.682,525 2.113,526 3.22,527 -0.396,529 1,532 62.032,533 1.443,534 2.91,535 3.525,536 4.365,537 4.682,538 4.682,539 2.587,540 3.894,541 4.614,542 3.403,543 1020.82,544 7.99,545 12289.3,546 1,548 1,549 233.329,550 1.078,551 4.606,552 0.107,553 0.002,554 0.058,555 0.041,556 0.042,557 0.017,558 0.014,559 0.009,560 0.009,561 0.003,562 0.303,563 0.5,564 1,565 0.372,566 119.796,567 -0.022,568 -0.1,569 0.057,570 -0.027,571 -0.046,572 0.017,573 0.21,574 -0.078,575 -0.026,576 -0.147,577 0.059,578 -0.129,579 0.007,580 -0.046,581 0.072,582 -0.008,583 -0.021,584 0.033,585 -0.157,586 -0.097,587 -0.029,588 -0.045,589 -0.053,590 -0.023,591 0.023,592 0.023,593 -0.083,594 -0.003,595 0.033,596 -0.045,597 -0.153,598 -0.116,599 -0.189,600 -0.145,601 -0.113,602 -0.166,603 -0.148,604 0.03,605 -0.131,606 -0.007,607 -0.144,608 -0.056,609 -0.046,610 0.152,611 0.09,612 0.168,613 -0.016,614 0.151,615 1.82,616 5.873,617 0.8,618 20.842,619 0.998,620 1.11,621 3.044,622 9.267,623 0.698,624 3.367,625 3.664,626 3.97,627 4.277,628 4.554,629 4.575,630 4.71,631 4.812,632 4.875,633 4.779,634 5.887,635 0.667,636 330.41,637 3.367,638 4.89,639 5.746,640 6.624,641 7.503,642 8.393,643 9.282,644 10.179,645 11.075,646 11.976,647 4.7,652 2,659 13,664 5,666 18,673 1,675 43,676 19,677 3,678 28,679 46,680 21,681 18,682 5,683 13,685 4,686 7,687 1,691 1,692 19,693 2,695 1,698 1,702 1,704 1,705 18,706 4,707 1,708 4,712 2,714 0.5,715 2,728 4,731 2,739 2,744 25,749 2,751 1,752 1,755 1,760 4.7,762 1,764 1,767 11.833,768 7.617,769 5.556,770 2.574,773 3.255,774 1.436,775 1.024,776 4.401,777 10.726,778 3.664,779 4.227,780 4.781,781 5.354,782 5.908,783 6.002,784 6.394,785 6.786,786 7.077,787 7.204,788 1,789 40,790 9.238,791 3.939,792 7.66,793 17.725,794 14.556,795 2.16,796 54,798 1,799 200.109,800 151.293,801 21.135,802 36.145,804 151.293,805 236.254,806 21.135,808 25.775,809 123.191,810 25.145,811 30.186,812 4.276,813 200.109,815 200.109,816 172.428,817 36.145,820 176.567,821 59.687,823 25.775,824 146.653,827 200.109,828 57.28,829 151.293,832 200.109,833 28.102,834 126.316,835 18.011,836 36.145,837 200.109,838 57.28,839 151.293,841 0.568,842 0.338,843 0.198,844 0.114,845 19,846 7,847 0.065,848 3,849 2,850 1.2,851 3.777,852 211.662,853 0.2,854 20,855 100.096,860 15.731,861 6.995,862 3.236,864 57.28,865 25.254,870 4.057,872 18.011,873 408.682,874 38,877 12.873,881 -0.154,883 42.927,884 47.737,885 0.266,886 0.536,887 0.65,888 0.804,889 0.863,890 0.863,891 4.871,892 1.347,893 5.7,894 3.252,895 4.344,896 4.913,897 2.069,898 6.512,899 4.278,900 6.049,901 1.247,902 7.246,903 3.126,904 3.761,905 4.46,906 1.305,907 7.438,908 3.627,909 7.332,910 1,911 8.904,912 2.902,913 5.911,914 7.03,915 2.596,916 10.614,917 5.756,918 8.653,919 1,920 10.634,921 2.231,922 6.236,923 7.421,924 2.473,925 12.467,926 5.99,927 10.009,928 0.51,929 12.413,930 2.136,931 7.798,932 9.421,933 3.415,934 15.157,935 7.532,936 11.392,937 -0.074,938 14.226,939 1.232,940 8.571,941 10.24,942 3.608,943 17.381,944 8.207,945 12.796,946 -0.28,947 16.064,948 -0.184,949 9.888,950 11.964,951 4.365,952 19.921,953 9.493,954 3.284,955 -0.445,956 17.921,957 -0.705,958 10.881,959 13.022,960 4.717,961 22.295,962 10.39,963 2.532,964 11.854,965 19.793,966 -1.091,967 12.102,968 14.598,969 5.374,970 24.788,971 11.567,972 2.532,973 8.37,974 21.677,975 4.105,976 13.198,977 15.794,978 5.808,979 27.221,980 12.575,981 2.416,982 7.529,983 23.57,984 3.58,985 14.388,986 17.289,987 6.409,988 29.699,989 13.709,990 1.751,991 6.963,992 25.471,993 3.445,994 15.532,995 18.569,996 6.887,997 32.156,998 14.773,999 1.537,1000 4.793,1001 27.379,1002 2.959,1003 16.714,1004 20.019,1005 7.458,1006 34.63,1007 15.893,1008 1.472,1009 3.329,1010 29.292,1011 2.185,1012 17.881,1013 21.349,1014 7.96,1015 37.096,1016 16.986,1017 6898,1018 10932,1019 19.474,1020 30.012,1021 41.722,1022 42.295,1023 42.255,1024 41.309,1025 41.255,1026 55.128,1027 6.4,1028 115.434,1029 40.03,1030 5.474,1031 5.803,1032 6.778,1033 5.338,1034 5.284,1035 7.105,1036 2.972,1037 19.386,1038 5.085,1039 5.866,1040 1.49,1041 1.511,1042 1.509,1043 1.475,1044 1.473,1045 1.969,1046 0.229,1047 4.123,1048 1.43,1049 4.039,1050 4.062,1051 4.001,1052 3.935,1053 7.429,1054 3.946,1055 3.914,1056 3.947,1057 3.837,1058 3.854,1059 4.959,1060 3.846,1061 3.758,1062 3.788,1063 3.686,1064 3.707,1065 4.751,1066 3.698,1067 3.554,1068 3.616,1069 3.465,1070 3.336,1071 4.615,1072 3.351,1073 3.234,1074 3.283,1075 3.118,1076 3.045,1077 4.191,1078 3.064,1079 3.003,1080 3.026,1081 2.92,1082 2.82,1083 4.131,1084 2.837,1085 2.884,1086 2.952,1087 2.762,1088 2.735,1089 3.821,1090 2.726,1091 2.854,1092 2.925,1093 2.687,1094 2.724,1095 3.674,1096 2.715,1097 0.162,1098 0.136,1099 0.249,1100 0.151,1101 0.117,1102 4.546,1103 0.147,1104 3.803,1105 0.061,1106 6.976,1107 0.423,1108 4.225,1109 0.11,1110 3.284,1111 4.105,1112 1.701,1113 11.854,1114 3.085,1115 1.97,1116 1.949,1117 2.061,1118 2.092,1119 1.229,1120 2.078,1121 1.919,1122 1.888,1123 2.045,1124 2.005,1125 1.152,1126 2.023,1127 1.772,1128 1.744,1129 1.902,1130 1.849,1131 0.978,1132 1.869,1133 1.493,1134 1.426,1135 1.728,1136 1.734,1137 0.887,1138 1.73,1139 1.167,1140 1.123,1141 1.319,1142 1.401,1143 0.381,1144 1.386,1145 0.936,1146 0.907,1147 1.181,1148 1.156,1149 0.258,1150 1.146,1151 0.886,1152 0.821,1153 1.16,1154 1.078,1155 0.218,1156 1.107,1157 0.869,1158 0.806,1159 1.124,1160 1.062,1161 0.199,1162 1.103,1163 4.043,1165 5.342,1167 6.864,1169 8.493,1171 10.183,1176 1.366,1178 3.014,1179 5.91,1182 1.68,1184 28.687,1185 62.032,1186 125.118,1187 151.572,1188 187.678,1189 201.329,1190 201.329,1191 33.598,1192 7.47,1193 47.17,1194 47.17,1195 24,1196 12.498,1197 4.322,1198 3.459,1199 35.866,1200 84,1201 100,1202 0.2,1203 174.943,1204 302.9,1205 418.621,1206 18604,1208 17.062,1209 0.682,1210 0.547,1211 17.062,1212 13.683,1213 12.326,1214 0.44,1215 0.297,1216 8.221,1217 11.988,1218 8.075,1219 6.699,1220 12.326,1221 8.306,1222 10.642,1223 0.28,1224 0.154,1225 10.642,1226 5.84,1227 9.184,1228 0.177,1229 0.08,1230 9.184,1231 4.168,1232 8.019,1233 0.113,1234 0.042,1235 8.019,1236 2.961,1237 6.88,1238 0.073,1239 0.022,1240 6.88,1241 2.06,1242 0.31,1243 76.307,1244 0.227,1245 24.174,1246 0.56,1247 132,1248 363.449,1249 143.389,1250 354.34,1251 496.73,1252 334,1253 156,1254 378.825,1255 168.084,1256 381.416,1257 562.46,1258 362,1259 5}
{0 CHEMBL2180174,1 1.429,2 7.304,3 4.41,4 19.447,5 91.012,6 6.898,7 0.48,8 3.885,9 4.006,10 3.396,11 3.417,12 4.92,13 3.384,14 4.43,15 4.618,16 3.741,17 3.781,18 5.412,19 3.726,20 4.69,21 4.916,22 3.886,23 3.905,24 5.645,25 3.854,26 4.725,27 4.936,28 3.91,29 3.924,30 5.793,31 3.893,32 4.739,33 4.919,34 3.927,35 4.016,36 5.918,37 3.957,38 4.85,39 5.072,40 3.752,41 4.079,42 5.836,43 3.956,44 4.853,45 5.103,46 3.495,47 4.049,48 5.628,49 3.856,50 4.782,51 5.077,52 3.096,53 3.832,54 5.472,55 3.578,56 0.022,57 0.629,58 9.969,59 4.246,60 6.181,61 5.772,62 0.229,63 1.024,64 18.514,65 6.851,66 17.457,67 9.664,68 0.253,69 1.246,70 25.002,71 8.39,72 24.202,73 12.015,74 0.35,75 1.277,76 26.355,77 7.975,78 39.088,79 11.148,80 0.437,81 1.304,82 26.06,83 9.04,84 57.71,85 12.283,86 0.337,87 1.417,88 29.316,89 10.803,90 54.094,91 14.905,92 0.22,93 1.38,94 29.132,95 12.073,96 33.464,97 16.881,98 0.201,99 1.214,100 27.87,101 11.183,102 32.401,103 16.049,104 20,105 34,106 0.248,107 0.525,108 0.655,109 0.717,110 0.732,111 0.732,112 3.19,113 0.985,114 -4.05,115 -4,116 -3.79,117 42.2,118 2,119 2,122 2,130 8,132 4,143 1,152 8,153 3,154 6,160 4,163 1,164 10,171 2,174 12,182 3,187 2,188 12,195 8,200 4,207 11,212 2,220 14,224 2,232 12,244 4,247 742,248 15.983,249 15.983,250 15.983,251 15.983,252 15.983,253 14.423,254 19.064,255 9.782,256 16.278,257 12.291,258 12.291,259 12.291,260 12.291,261 12.291,262 9.94,263 25.525,264 4.451,265 12.811,266 4.063,267 2.473,268 1.722,269 1.367,270 1.278,271 1.278,272 3.873,274 1,275 1,276 354,277 3.536,280 134.282,283 154.878,284 1.013,285 17.668,286 1,287 1,288 1,289 1,290 0.8,291 0.5,292 1,293 1,294 0.9,295 49,296 168,297 4.561,298 3.879,299 7.024,300 4.251,301 3.31,302 4.11,303 1.741,304 12.02,305 3.108,306 3.962,307 3.299,308 6.069,309 3.645,310 2.704,311 3.58,312 0.86,313 8.664,314 2.537,315 3.919,316 2.651,317 5.982,318 3.509,319 2.532,320 3.143,321 0.693,322 8.37,323 2.47,324 3.213,325 2.472,326 5.317,327 2.981,328 2.062,329 2.332,330 0.343,331 6.418,332 1.891,333 2.968,334 2.217,335 4.243,336 2.511,337 1.534,338 2.165,340 3.563,341 1.49,342 2.819,343 1.574,344 4.116,345 2.339,346 1.347,347 1.966,349 3.329,350 1.334,351 2.702,352 1.4,353 3.674,354 2.326,355 1.316,356 1.792,358 2.984,359 1.319,360 2.675,361 1.326,362 3.594,363 2.237,364 1.247,365 1.647,367 2.902,368 1.233,369 2.247,370 1.298,371 3.275,372 2.232,373 1.247,374 1.247,376 2.117,377 1.225,378 1.893,379 0.843,380 3.247,381 1.651,382 0.677,383 0.769,385 1.331,386 0.657,387 1.632,388 0.76,389 2.855,390 1.357,391 0.366,392 0.447,394 0.689,395 0.357,396 1.12,397 0.253,398 2.474,399 0.726,400 -0.232,401 -0.297,403 -0.626,404 -0.22,405 0.909,406 -0.169,407 2.404,408 0.521,409 -0.445,410 -0.445,412 -0.632,413 -0.418,414 0.591,415 -0.287,416 2,417 0.506,418 -0.445,419 -0.563,421 -1.091,422 -0.428,423 0.555,424 -0.457,425 2,426 0.11,427 -0.879,428 -1.072,429 -1.673,430 -0.866,431 10.967,432 0.477,433 0.414,434 0.018,435 29.25,436 1.272,437 14.5,438 0.63,439 14.75,440 0.641,441 19.086,442 0.83,443 25.033,444 0.556,445 20.602,446 0.896,447 5.542,448 0.241,449 5.715,450 0.248,451 0.122,453 0.301,454 0.761,455 1.439,456 0.839,457 1.191,458 0.582,459 1.048,460 0.749,461 1.138,462 0.859,463 1.031,464 0.558,465 0.964,466 1.119,467 1.079,468 0.775,469 0.886,470 0.814,471 0.792,472 1.876,473 0.903,474 0.999,475 0.746,476 1.784,477 0.741,478 1.505,479 1.057,480 1.127,481 1.003,482 1.995,483 1.011,484 1.349,485 0.949,486 1.224,487 1.022,488 1.901,489 1.093,490 0.716,491 1.063,492 1.166,493 1.214,494 0.642,495 1.251,496 0.541,497 1.029,498 1.056,499 1.175,500 0.342,501 1.191,502 3,504 2.444,505 1.813,506 1.88,507 0.806,508 0.444,509 0.26,510 0.172,511 0.063,512 4609,513 10220,514 2.067,515 48.9,516 6,517 12,522 4,524 1.669,525 1.944,526 2.891,527 -0.815,529 1,532 64.315,533 1.429,534 3.018,535 3.769,536 4.125,537 4.214,538 4.214,539 2.212,540 3.621,541 4.494,542 3.008,543 760.935,544 7.802,545 8457.65,546 1,548 1,549 247.133,550 1.371,551 4.458,552 0.12,554 0.072,555 0.046,556 0.047,557 0.02,558 0.013,559 0.011,560 0.012,561 0.016,562 0.358,563 0.5,564 1,565 1.586,566 104.085,567 0.019,568 -0.258,569 0.071,570 -0.112,571 -0.021,572 -0.032,573 0.221,574 -0.016,575 0.104,576 -0.038,577 0.09,578 0.006,579 0.071,580 -0.035,581 0.232,582 0.066,583 0.078,584 0.155,585 -0.226,586 0.174,587 0.056,588 0.17,589 -0.067,590 0.16,591 -0.007,592 0.012,593 -0.112,594 -0.026,595 0.046,596 -0.072,597 -0.227,598 0.06,599 -0.244,600 -0.036,601 -0.237,602 -0.124,603 -0.072,604 -0.131,605 -0.238,606 -0.19,607 -0.102,608 -0.23,609 0.017,610 -0.167,611 -0.118,612 -0.178,613 0.004,614 -0.17,615 1.656,616 6.2,617 0.609,618 15.599,619 0.993,620 1.124,621 2.821,622 7.957,623 0.656,624 3.258,625 3.555,626 3.892,627 4.22,628 4.511,629 4.585,630 4.727,631 4.812,632 4.812,633 4.615,634 4.762,635 0.616,636 310.43,637 3.258,638 4.779,639 5.645,640 6.538,641 7.435,642 8.343,643 9.251,644 10.164,645 11.078,646 11.993,647 4.4,652 2,659 8,664 4,666 12,673 1,675 45,676 13,677 2,678 25,679 47,680 19,681 12,682 4,683 8,685 3,686 6,687 1,688 2,691 2,692 13,693 6,695 1,698 1,702 1,704 1,705 22,706 4,708 4,712 2,714 0.333,715 2,728 3,731 2,739 1,742 2,744 23,749 4,752 1,755 2,760 4.4,762 1,764 1,767 11.833,768 8.65,769 5.333,770 3.15,773 2.497,774 1.352,775 0.969,776 4.868,777 9.584,778 3.497,779 4.025,780 4.59,781 5.169,782 5.74,783 5.939,784 6.365,785 6.769,786 7.049,787 7.126,788 0.8,789 39,790 8.54,791 3.555,792 7.623,793 16.537,794 13.345,795 2.123,796 48.833,798 1,799 258.964,800 123.017,801 6.249,802 36.145,804 123.017,805 295.109,806 6.249,807 17.65,808 15.529,809 75.81,810 25.145,811 27,812 4.276,813 258.964,815 258.964,816 129.266,817 36.145,820 211.88,821 83.229,823 33.18,824 96.086,827 258.964,828 42.393,829 123.017,832 258.964,833 29.557,834 99.709,836 36.145,837 258.964,838 42.393,839 123.017,841 0.557,842 0.345,843 0.213,844 0.127,845 16,846 7,847 0.085,848 4,849 2,850 1.286,851 3.35,852 190.99,853 0.286,854 14,855 86.042,860 15.879,861 7.051,862 3.062,864 42.393,865 15.362,870 3.029,873 424.375,874 32,877 13.2,881 0.011,883 44.694,884 50.567,885 0.26,886 0.55,887 0.686,888 0.751,889 0.767,890 0.767,891 4.718,892 1.247,893 5.617,894 2.984,895 4.234,896 4.71,897 2.147,898 6.475,899 4.145,900 5.89,901 1.247,902 7.197,903 2.902,904 3.761,905 4.369,906 1.404,907 7.496,908 3.583,909 7.184,910 0.677,911 8.89,912 2.117,913 5.844,914 6.815,915 2.677,916 10.681,917 5.637,918 8.517,919 0.366,920 10.652,921 1.331,922 6.275,923 7.332,924 2.602,925 12.569,926 5.971,927 9.89,928 -0.232,929 12.458,930 0.689,931 7.789,932 9.231,933 3.538,934 15.275,935 7.455,936 11.29,937 -0.445,938 14.294,939 -0.626,940 8.638,941 10.157,942 3.779,943 17.508,944 8.213,945 12.711,946 -0.445,947 16.15,948 -0.632,949 9.933,950 11.813,951 4.539,952 20.062,953 9.466,954 3.31,955 -0.879,956 18.022,957 -1.091,958 10.97,959 12.95,960 4.932,961 22.442,962 10.42,963 2.704,964 12.02,965 19.905,966 -1.673,967 12.185,968 14.484,969 5.598,970 24.947,971 11.585,972 2.532,973 8.664,974 21.798,975 4.11,976 13.306,977 15.736,978 6.067,979 27.388,980 12.629,981 2.062,982 8.37,983 23.699,984 3.58,985 14.497,986 17.208,987 6.683,988 29.878,989 13.763,990 1.534,991 6.418,992 25.607,993 3.143,994 15.656,995 18.525,996 7.191,997 32.345,998 14.85,999 1.347,1000 3.563,1001 27.52,1002 2.332,1003 16.842,1004 19.964,1005 7.779,1006 34.831,1007 15.975,1008 1.316,1009 3.329,1010 29.438,1011 2.165,1012 18.018,1013 21.319,1014 8.309,1015 37.309,1016 17.083,1017 4630,1018 7056,1019 16.701,1020 29.534,1021 37.021,1022 37.701,1023 38.955,1024 36.78,1025 36.687,1026 46.397,1027 7.275,1028 104.773,1029 35.242,1030 5.47,1031 5.879,1032 6.826,1033 5.364,1034 5.31,1035 7.11,1036 3.026,1037 19.551,1038 5.108,1039 10.18,1040 1.481,1041 1.508,1042 1.558,1043 1.471,1044 1.467,1045 1.856,1046 0.291,1047 4.191,1048 1.41,1049 4.039,1050 4.063,1051 4.002,1052 3.932,1053 7.428,1054 3.944,1055 3.758,1056 3.816,1057 3.686,1058 3.707,1059 4.958,1060 3.698,1061 3.749,1062 3.788,1063 3.63,1064 3.568,1065 4.615,1066 3.569,1067 3.501,1068 3.586,1069 3.279,1070 3.348,1071 4.247,1072 3.32,1073 3.317,1074 3.371,1075 3.21,1076 3.083,1077 4.188,1078 3.111,1079 3.023,1080 3.09,1081 2.923,1082 2.831,1083 4.04,1084 2.845,1085 2.957,1086 3.007,1087 2.792,1088 2.778,1089 3.844,1090 2.77,1091 2.786,1092 2.856,1093 2.628,1094 2.674,1095 3.621,1096 2.655,1097 0.182,1098 0.155,1099 0.281,1100 0.17,1101 0.132,1102 4.561,1103 0.164,1104 3.879,1105 0.07,1106 7.024,1107 0.481,1108 4.251,1109 0.124,1110 3.31,1111 4.11,1112 1.741,1113 12.02,1114 3.108,1115 1.97,1116 1.95,1117 2.054,1118 2.095,1119 1.247,1120 2.08,1121 1.772,1122 1.744,1123 1.966,1124 1.924,1125 1.147,1126 1.939,1127 1.717,1128 1.647,1129 1.902,1130 1.849,1131 1.09,1132 1.869,1133 1.539,1134 1.459,1135 1.861,1136 1.738,1137 0.978,1138 1.785,1139 1.229,1140 1.174,1141 1.482,1142 1.503,1143 0.606,1144 1.494,1145 0.992,1146 0.927,1147 1.24,1148 1.235,1149 0.403,1150 1.249,1151 0.929,1152 0.877,1153 1.234,1154 1.142,1155 0.333,1156 1.141,1157 0.817,1158 0.754,1159 1.155,1160 1.062,1161 0.199,1162 1.131,1163 3.932,1165 5.231,1167 6.765,1169 8.417,1171 10.133,1172 4.189,1176 3.404,1179 5.945,1182 3.693,1184 27.74,1185 64.315,1186 135.83,1187 169.624,1188 185.624,1189 189.624,1190 189.624,1191 36.228,1192 7.088,1193 38.38,1194 38.38,1195 18,1196 12.505,1197 3.807,1198 3,1199 36.314,1200 62,1201 71,1202 0.284,1203 171.934,1204 299.48,1205 411.279,1206 10051,1208 16.234,1209 0.706,1210 0.594,1211 16.234,1212 13.658,1213 11.258,1214 0.45,1215 0.328,1216 8.115,1217 10.894,1218 7.894,1219 6.65,1220 11.258,1221 8.208,1222 9.426,1223 0.277,1224 0.166,1225 9.426,1226 5.643,1227 8.2,1228 0.171,1229 0.081,1230 8.2,1231 3.881,1232 7.284,1233 0.109,1234 0.043,1235 7.284,1236 2.895,1237 6.294,1238 0.07,1239 0.022,1240 6.294,1241 2.001,1242 0.419,1243 70.014,1244 0.245,1245 21.76,1246 0.871,1247 118,1248 322.761,1249 130.083,1250 310.053,1251 435.54,1252 292,1253 141,1254 335.951,1255 154.748,1256 335.546,1257 500.88,1258 318,1259 5.695}
{0 CHEMBL335206,1 2.203,2 10.259,3 -2.669,4 7.126,5 91.638,6 10.555,7 0.345,8 3.921,9 3.997,10 4.057,11 3.412,12 5.157,13 3.37,14 4.49,15 4.562,16 4.339,17 3.74,18 6.22,19 3.743,20 4.678,21 4.809,22 4.343,23 3.842,24 6.068,25 3.805,26 4.781,27 4.924,28 4.302,29 3.809,30 6.445,31 3.806,32 4.712,33 4.886,34 4.069,35 3.771,36 6.078,37 3.702,38 4.609,39 4.765,40 4.087,41 3.685,42 6.103,43 3.641,44 4.59,45 4.746,46 4.074,47 3.619,48 6.192,49 3.537,50 4.403,51 4.56,52 3.991,53 3.507,54 5.993,55 3.411,56 0.671,57 0.646,58 13.243,59 6.058,60 86.509,61 3.046,62 1.391,63 0.93,64 18.561,65 8.496,66 153.955,67 5.28,68 1.701,69 1.044,70 26.762,71 10.241,72 191.647,73 7.164,74 1.918,75 1.024,76 28.846,77 9.711,78 246.683,79 7.825,80 1.767,81 0.956,82 28.586,83 9.558,84 191.913,85 8.15,86 1.539,87 0.867,88 27.874,89 9.161,90 197.643,91 7.567,92 1.676,93 0.795,94 25.312,95 8.593,96 204.65,97 6.768,98 1.277,99 0.708,100 25.05,101 7.871,102 181.555,103 5.936,104 70,105 45,106 0.388,107 0.77,108 0.889,109 0.925,110 0.934,111 0.934,112 3.34,113 1.179,114 -0.78,115 -0.89,116 -1.01,117 23.8,122 1,124 3,125 1,134 1,135 1,136 1,144 1,145 1,146 1,147 1,148 1,150 5,151 2,153 8,156 1,157 6,162 1,163 3,165 3,166 1,167 4,168 1,170 2,173 5,175 1,176 2,177 7,178 1,187 3,191 4,194 1,199 1,201 2,202 1,203 5,204 1,206 1,211 5,215 5,216 2,218 1,219 1,225 3,227 2,228 2,230 1,231 1,236 6,239 1,240 5,241 1,247 1042,248 16.878,249 16.878,250 16.878,251 16.878,252 16.878,253 15.31,254 13.425,255 9.349,256 17.375,257 14.267,258 14.267,259 14.267,260 14.267,261 14.267,262 11.804,263 15.015,264 4.406,265 15.179,266 3.19,267 1.024,268 0.351,269 0.143,270 0.095,271 0.095,272 4.006,276 579,277 4.359,279 137.664,280 75.669,282 114.315,284 1.731,285 61.92,287 0.5,288 0.67,289 0.67,290 0.6,291 0.5,292 0.5,293 0.5,294 0.56,295 64.833,296 277,297 4.642,298 3.59,299 6.926,300 4.344,301 3.35,302 4.581,303 1.041,304 11.628,305 3.335,306 4.595,307 3.362,308 6.893,309 4.219,310 3.293,311 3.949,313 11.581,314 3.042,315 4.179,316 3.129,317 6.529,318 3.944,319 3.003,320 3.49,322 10.118,323 2.847,324 4.126,325 2.874,326 6.169,327 3.836,328 2.842,329 3.323,331 9.235,332 2.793,333 3.66,334 2.589,335 5.89,336 3.313,337 2.387,338 2.918,340 7.928,341 2.202,342 3.058,343 2.241,344 5.236,345 2.826,346 1.9,347 2.324,349 5.87,350 1.75,351 3.029,352 1.969,353 4.786,354 2.483,355 1.591,356 2.11,358 4.713,359 1.415,360 2.731,361 1.549,362 4.144,363 2.444,364 1.542,365 1.76,367 3.671,368 1.386,369 2.413,370 1.365,371 4.069,372 1.945,373 1.04,374 1.386,376 2.926,377 0.937,378 2.101,379 1.232,380 3.669,381 1.667,382 0.773,383 0.995,385 1.834,386 0.689,387 1.756,388 0.883,389 3.305,390 1.564,391 0.705,392 0.727,394 1.74,395 0.6,396 1.099,397 0.58,398 3.128,399 0.835,400 -0.026,401 -0.028,403 -0.063,404 -0.022,405 1,406 -0.153,407 2.74,408 0.656,409 -0.303,410 -0.349,412 -0.718,413 -0.279,414 0.978,415 -0.316,416 2.562,417 0.575,418 -0.351,419 -0.417,421 -1.181,422 -0.34,423 0.626,424 -0.459,425 2.367,426 0.184,427 -0.733,428 -0.823,429 -2.062,430 -0.665,431 12.833,432 0.475,433 1.188,434 0.044,435 31.75,436 1.176,437 11.5,438 0.426,439 20.25,440 0.75,441 24.643,442 0.913,443 32.167,444 0.766,445 27.553,446 1.02,447 5.93,448 0.22,449 6.554,450 0.243,451 0.252,452 0.156,453 0.304,454 1.302,455 1.722,456 0.752,457 1.593,458 1.15,459 0.953,460 0.69,461 1.015,462 0.713,463 0.824,464 0.57,465 0.866,466 1.095,467 1.152,468 0.827,469 0.989,470 0.958,471 1.046,472 0.915,473 0.897,474 0.872,475 0.848,476 0.787,477 0.991,478 0.991,479 0.835,480 0.934,481 0.766,482 0.973,483 0.988,484 0.973,485 1.053,486 1.014,487 1.07,488 0.959,489 1.098,490 0.97,491 0.789,492 0.978,493 0.811,494 1.018,495 0.996,496 1.121,497 1.167,498 1.182,499 1.292,500 1.136,501 1.125,502 8.5,503 0.207,504 4,505 3.299,506 1.673,507 0.976,508 0.899,509 0.554,510 0.412,511 0.24,512 8073,513 39009,514 1.933,515 35.7,517 5,518 1,519 2,520 7,524 1.701,525 1.723,526 3.313,527 4.646,532 92.516,533 2.203,534 4.368,535 5.041,536 5.249,537 5.297,538 5.297,539 2.75,540 4.134,541 4.727,542 3.535,543 1240.76,544 8.207,545 15798.1,549 226.477,550 1.846,551 4.616,552 0.293,553 0.012,554 0.089,555 0.079,556 0.04,557 0.029,558 0.026,559 0.018,560 0.016,561 0.011,562 0.613,563 0.17,564 0.75,565 1.577,566 133.396,567 -0.474,568 -0.379,569 0.231,570 -0.197,571 -0.379,572 0.031,573 0.302,574 0.103,575 0.036,576 0.057,577 0.276,578 -0.016,579 -0.145,580 -0.146,581 0.014,582 -0.064,583 -0.125,584 -0.1,585 0.075,586 0.032,587 -0.037,588 -0.051,589 0.165,590 -0.065,591 -0.052,592 0.057,593 -0.073,594 0.04,595 -0.106,596 -0.004,597 -0.025,598 -0.106,599 -0.083,600 -0.14,601 -0.026,602 -0.095,603 0.073,604 0.093,605 -0.033,606 0.074,607 0.005,608 -0.043,609 -0.124,610 -0.201,611 -0.062,612 -0.147,613 -0.05,614 -0.089,615 5.762,616 4.581,617 0.519,618 23.726,619 1.066,620 1.148,621 -0.448,622 0.201,623 0.683,624 3.401,625 3.829,626 4.025,627 4.331,628 4.431,629 4.575,630 4.727,631 4.868,632 4.86,633 4.86,634 6.336,635 0.66,636 443.31,637 3.401,638 5.004,639 5.855,640 6.786,641 7.656,642 8.587,643 9.468,644 10.398,645 11.286,646 12.215,647 11.9,649 1,653 1,655 3,658 2,659 2,660 3,664 1,665 1,666 10,669 1,675 42,676 12,678 29,679 44,680 10,681 5,685 3,686 4,689 3,691 3,692 5,693 5,695 2,698 2,703 2,705 15,706 13,707 6,708 17,709 3,711 1,712 5,714 0.667,715 9,717 2,720 1,721 2,722 2,725 1,727 2,728 1,730 1,737 4,738 1,739 2,741 1,744 27,745 1,748 4,749 1,750 1,752 3,754 4,760 21.4,761 4,762 2,763 3,767 15.667,768 6.617,769 5.569,770 1.856,771 2,773 2.133,774 1.292,775 0.889,776 5.878,777 9.433,778 3.611,779 4.252,780 4.69,781 5.292,782 5.677,783 6.026,784 6.39,785 6.744,786 6.703,787 6.849,788 0.857,789 42,790 11.322,791 6.188,792 8.617,793 17.736,794 15,795 3.117,796 84.167,799 120.417,800 63.167,801 85.153,802 220.922,803 50.58,804 28.017,805 325.909,806 85.153,808 4.592,809 192.528,810 171.772,811 12.662,812 14.099,813 94.006,815 104.987,816 113.17,817 220.922,818 50.58,820 104.987,821 40.526,822 180.395,823 27.588,824 35.225,825 65.787,826 35.15,827 104.987,828 306.075,829 63.167,830 15.43,831 15.43,832 104.987,833 10.78,834 19.136,836 339.326,837 104.987,838 306.075,839 78.597,841 0.614,842 0.329,843 0.177,844 0.082,845 23,846 12,847 0.136,848 6,849 1,850 1.143,851 3.659,852 232.68,853 0.143,854 14,855 128.382,856 1,860 20.955,861 7.574,862 4.631,863 0.482,864 304.175,865 2.445,866 11.778,870 0.102,871 1.298,872 192.528,873 489.659,874 36,877 22.515,882 -9.551,883 44.782,884 48.235,885 0.408,886 0.81,887 0.935,888 0.974,889 0.982,890 0.982,891 4.931,892 1.542,893 5.958,894 4.713,895 4.511,896 4.938,897 1.153,898 6.88,899 4.393,900 6.208,901 1.04,902 7.603,903 3.671,904 4.575,905 5.173,907 8.22,908 4.468,909 7.592,910 0.773,911 9.353,912 2.926,913 6.312,914 7.222,915 1.208,916 11.2,917 6.12,918 9.006,919 0.705,920 11.158,921 1.834,922 7.074,923 8.174,925 13.217,926 6.889,927 10.446,928 -0.026,929 12.995,930 1.74,931 8.423,932 9.848,933 1.265,934 15.825,935 8.177,936 11.904,937 -0.303,938 14.852,939 -0.063,940 9.44,941 11.091,943 18.086,944 9.187,945 13.374,946 -0.351,947 16.723,948 -0.718,949 10.67,950 12.645,951 1.324,952 20.579,953 10.374,954 3.35,955 -0.733,956 18.603,957 -1.181,958 11.786,959 14.021,961 22.939,962 11.473,963 3.293,964 11.628,965 20.49,966 -2.062,967 12.979,968 15.535,969 1.383,970 25.394,971 12.635,972 3.003,973 11.581,974 22.383,975 4.581,976 14.134,977 16.976,979 27.798,980 13.771,981 2.842,982 10.118,983 24.281,984 3.949,985 15.318,986 18.48,987 1.444,988 30.241,989 14.931,990 2.387,991 9.235,992 26.183,993 3.49,994 16.49,995 19.955,997 32.665,998 16.085,999 1.9,1000 7.928,1001 28.088,1002 3.323,1003 17.675,1004 21.459,1005 1.506,1006 35.107,1007 17.25,1008 1.591,1009 5.87,1010 29.995,1011 2.918,1012 18.856,1013 22.952,1015 37.541,1016 18.415,1017 8088,1018 17937,1019 17.8,1020 28.699,1021 45.27,1022 46.505,1023 47.005,1024 44.686,1025 44.852,1026 55.125,1027 2.082,1028 142.489,1029 41.99,1030 5.616,1031 5.59,1032 6.455,1033 5.46,1034 5.35,1035 7.581,1036 2.082,1037 19.337,1038 5.246,1039 18.784,1040 1.561,1041 1.604,1042 1.621,1043 1.541,1044 1.547,1045 1.901,1046 0.072,1047 4.913,1048 1.448,1049 4.104,1050 4.155,1051 4.676,1052 4.017,1053 7.454,1054 3.943,1055 3.825,1056 3.838,1057 4.271,1058 3.898,1059 7.413,1060 3.655,1061 3.698,1062 3.665,1063 4.079,1064 3.663,1065 6.495,1066 3.542,1067 3.393,1068 3.431,1069 3.708,1070 3.551,1071 6.4,1072 3.218,1073 3.304,1074 3.322,1075 3.264,1076 3.081,1077 6.352,1078 3.089,1079 3.063,1080 3.109,1081 2.968,1082 2.858,1083 6.34,1084 2.839,1085 2.989,1086 3.09,1087 2.878,1088 2.679,1089 5.271,1090 2.714,1091 2.768,1092 2.817,1093 2.777,1094 2.377,1095 4.856,1096 2.416,1097 0.16,1098 0.124,1099 0.239,1100 0.15,1101 0.116,1102 4.642,1103 0.158,1104 3.59,1105 0.036,1106 6.926,1107 0.401,1108 4.344,1109 0.115,1110 3.35,1111 4.581,1112 1.041,1113 11.628,1114 3.335,1115 1.797,1116 1.751,1117 1.849,1118 2.008,1119 1.171,1120 1.965,1121 1.622,1122 1.61,1123 1.776,1124 1.824,1125 0.996,1126 1.826,1127 1.536,1128 1.518,1129 1.65,1130 1.785,1131 0.755,1132 1.761,1133 1.438,1134 1.431,1135 1.349,1136 1.508,1137 0.507,1138 1.628,1139 1.173,1140 1.169,1141 1.148,1142 1.389,1143 0.405,1144 1.42,1145 1.047,1146 1.021,1147 1.079,1148 1.227,1149 0.169,1150 1.288,1151 0.811,1152 0.739,1153 0.919,1154 1.191,1155 0.039,1156 1.21,1157 0.786,1158 0.66,1159 0.856,1160 1.065,1162 1.076,1163 4.078,1165 5.476,1166 3.045,1167 7.033,1168 5.476,1169 8.661,1170 7.627,1171 10.331,1174 5.682,1175 38.566,1176 -0.736,1177 3.104,1179 13.919,1181 -5.437,1184 27.736,1185 92.516,1186 183.458,1187 211.722,1188 220.477,1189 222.477,1190 222.477,1191 81.357,1192 7.3,1193 212.37,1194 270.79,1195 16,1196 12.726,1197 3.7,1198 3,1199 47.027,1200 104,1201 88,1202 0.228,1203 181.731,1204 304.4,1205 435.183,1206 13417,1208 19.983,1209 0.74,1210 0.589,1211 20.983,1212 15.892,1213 12.484,1214 0.43,1215 0.393,1216 7.22,1217 10.039,1218 6.927,1219 5.601,1220 14.639,1221 11.397,1222 13.295,1223 0.295,1224 0.218,1225 17.019,1226 9.812,1227 9.435,1228 0.172,1229 0.117,1230 11.305,1231 6.419,1232 8.33,1233 0.111,1234 0.065,1235 11.062,1236 4.908,1237 5.594,1238 0.067,1239 0.028,1240 6.435,1241 2.326,1242 0.356,1243 101.146,1244 0.237,1245 25.73,1246 0.633,1247 148,1248 640.491,1249 267.622,1250 625.482,1251 813.53,1252 570,1253 174,1254 510.011,1255 315.906,1256 574.955,1257 862.24,1258 535,1259 5.602}
{0 CHEMBL336208,1 2.19,2 12.545,3 -3.388,4 11.48,5 109.474,6 10.849,7 0.286,8 4.112,9 4.178,10 4.299,11 3.566,12 5.345,13 3.552,14 4.695,15 4.75,16 4.57,17 3.945,18 6.566,19 3.903,20 4.824,21 4.941,22 4.626,23 4.004,24 6.204,25 3.99,26 4.995,27 5.107,28 4.632,29 4.051,30 6.886,31 4.027,32 4.914,33 5.061,34 4.509,35 4.047,36 6.274,37 3.976,38 4.908,39 5.033,40 4.475,41 3.961,42 6.693,43 3.937,44 4.894,45 5.05,46 4.326,47 3.926,48 6.419,49 3.835,50 4.742,51 4.892,52 4.264,53 3.81,54 6.248,55 3.731,56 0.998,57 0.74,58 12.811,59 6.919,60 125.503,61 3.42,62 2.061,63 1.099,64 28,65 11.922,66 229.932,67 6.99,68 2.22,69 1.198,70 28.239,71 11.772,72 256.215,73 7.583,74 2.858,75 1.258,76 35.371,77 12.936,78 376.385,79 9.051,80 2.363,81 1.224,82 35.732,83 12.903,84 276.856,85 9.351,86 2.42,87 1.126,88 35.344,89 12.125,90 337.767,91 9.251,92 2.383,93 1.06,94 34.296,95 12.048,96 291.573,97 9.25,98 1.987,99 0.929,100 35.737,101 11.226,102 268.205,103 8.308,104 132,105 55,106 0.369,107 0.702,108 0.823,109 0.888,110 0.914,111 0.914,112 3.532,113 1.218,114 -2.14,115 -2.18,116 -2.16,117 21.6,121 1,122 1,124 3,125 1,134 1,135 1,137 1,144 1,145 1,146 1,147 1,148 1,150 8,151 4,153 11,154 2,156 1,157 11,158 1,162 2,163 3,165 7,166 1,167 4,168 1,170 5,173 9,174 1,175 1,176 2,177 13,178 3,179 1,184 1,185 1,187 3,188 1,189 3,191 4,194 4,199 3,200 1,201 2,202 1,203 10,204 3,206 1,211 6,215 5,216 2,217 1,218 1,219 1,225 4,227 3,228 2,229 1,230 1,231 1,236 8,237 1,239 1,240 8,241 1,243 1,247 1892,248 20.35,249 20.35,250 20.35,251 20.35,252 20.35,253 18.627,254 15.754,255 11.179,256 21.132,257 17.183,258 17.183,259 17.183,260 17.183,261 17.183,262 14.298,263 17.291,264 5.234,265 18.432,266 3.482,267 1.511,268 0.79,269 0.407,270 0.25,271 0.25,272 4.196,276 855,277 5.244,279 180.825,280 98.548,282 149.904,284 1.983,285 83.087,287 0.25,288 0.5,289 0.33,290 0.5,291 0.5,292 0.33,293 0.5,294 0.42,295 80.5,296 414,297 4.68,298 4.332,299 7.058,300 4.437,301 3.439,302 4.611,303 2.95,304 12.198,305 3.433,306 4.664,307 3.589,308 6.931,309 4.232,310 3.308,311 4.038,312 1.041,313 11.647,314 3.105,315 4.392,316 3.445,317 6.595,318 4.11,319 3.117,320 3.731,322 10.555,323 3.046,324 4.157,325 3.154,326 6.538,327 3.957,328 3.02,329 3.393,331 10.176,332 2.818,333 4.071,334 3.1,335 6.092,336 3.732,337 2.735,338 3.371,340 8.974,341 2.725,342 3.733,343 2.754,344 5.904,345 3.352,346 2.45,347 3.024,349 8.015,350 2.219,351 3.54,352 2.612,353 5.274,354 3.074,355 2.206,356 2.868,358 6.614,359 1.887,360 3.041,361 2.418,362 5.238,363 2.824,364 1.898,365 2.12,367 5.908,368 1.747,369 2.744,370 2.239,371 4.798,372 2.477,373 1.587,374 1.783,376 4.754,377 1.405,378 2.546,379 1.968,380 4.146,381 2.04,382 1.15,383 1.559,385 3.017,386 1.019,387 2.185,388 1.365,389 3.792,390 1.804,391 0.921,392 1.123,394 2.543,395 0.808,396 1.758,397 1.272,398 3.763,399 1.573,400 0.716,401 0.729,403 1.76,404 0.607,405 1.565,406 1.172,407 3.35,408 1.181,409 0.403,410 0.454,412 0.616,413 0.309,414 1.092,415 0.642,416 3.002,417 0.86,418 -0.021,419 -0.022,421 -0.05,422 -0.018,423 1,424 0.401,425 2.886,426 0.763,427 -0.198,428 -0.208,429 -0.695,430 -0.194,431 15.667,432 0.475,433 1.549,434 0.047,435 37.75,436 1.144,437 13.5,438 0.409,439 24.25,440 0.735,441 33.485,442 1.015,443 40.133,444 0.787,445 37.344,446 1.132,447 6.819,448 0.207,449 8.303,450 0.252,451 0.249,452 0.191,453 0.281,454 1.375,455 1.782,456 0.804,457 1.812,458 1.187,459 0.968,460 0.472,461 1.024,462 0.816,463 0.778,464 0.442,465 0.872,466 1.177,467 1.289,468 0.84,469 1.2,470 1.005,471 1.025,472 0.695,473 0.835,474 0.843,475 0.728,476 0.619,477 0.916,478 1.087,479 1.061,480 1.012,481 1.008,482 1.039,483 1.064,484 0.78,485 1.046,486 1.027,487 1.032,488 0.715,489 1.112,490 0.976,491 0.808,492 1.015,493 0.778,494 0.984,495 1.046,496 1.107,497 1.154,498 1.16,499 1.158,500 1.056,501 1.146,502 12,503 0.383,504 4.444,505 4.486,506 2.224,507 1.618,508 1.077,509 0.72,510 0.591,511 0.375,512 14043,513 71168,514 1.888,515 35.3,517 8,518 1,519 1,520 8,524 1.752,525 1.671,526 3.562,527 5.294,532 111.711,533 2.19,534 4.161,535 4.883,536 5.265,537 5.422,538 5.422,539 3.083,540 4.658,541 5.017,542 3.802,543 2007.57,544 8.785,545 30052.6,549 289.294,550 1.876,551 4.889,552 0.343,553 0.013,554 0.081,555 0.086,556 0.039,557 0.035,558 0.022,559 0.018,560 0.016,561 0.011,562 0.665,563 0.17,564 0.63,565 1.843,566 175.408,567 -0.532,568 -0.385,569 0.224,570 -0.342,571 -0.407,572 0.054,573 0.519,574 0.109,575 0.017,576 0.156,577 0.415,578 0.006,579 -0.26,580 -0.2,581 0.055,582 -0.167,583 -0.198,584 -0.056,585 0.304,586 0.131,587 -0.022,588 0.081,589 0.357,590 -0.031,591 -0.187,592 -0.046,593 -0.054,594 -0.056,595 -0.195,596 -0.049,597 0.171,598 -0.049,599 -0.124,600 -0.127,601 0.235,602 -0.15,603 -0.019,604 0.1,605 -0.089,606 0.056,607 -0.073,608 -0.063,609 -0.153,610 -0.19,611 -0.109,612 -0.137,613 -0.098,614 -0.097,615 6.516,616 4.851,617 0.424,618 34.04,619 1.075,620 1.15,621 0.91,622 0.829,623 0.681,624 3.584,625 4.025,626 4.19,627 4.522,628 4.605,629 4.804,630 4.898,631 5.037,632 5.1,633 5.136,634 7.524,635 0.658,636 553.32,637 3.584,638 5.198,639 6.043,640 6.984,641 7.847,642 8.789,643 9.661,644 10.603,645 11.483,646 12.423,647 9.8,649 1,653 1,655 3,658 2,659 1,660 3,664 2,665 1,666 10,669 1,675 51,676 13,678 35,679 53,680 11,681 5,685 3,686 4,689 3,691 3,692 5,693 6,695 3,698 3,703 3,705 18,706 17,707 8,708 22,709 4,711 1,712 5,714 0.667,715 13,717 2,720 1,721 3,722 3,725 1,727 2,728 1,730 1,737 6,738 1,739 2,740 1,741 1,742 1,744 33,745 1,748 6,749 1,752 4,753 1,754 4,760 25.5,761 6,762 3,763 4,767 19.75,768 8.433,769 6.819,770 2.171,771 3,773 2.153,774 1.279,775 0.881,776 7.983,777 9.867,778 3.784,779 4.434,780 4.823,781 5.45,782 5.832,783 6.248,784 6.582,785 6.928,786 6.987,787 7.108,788 1,789 52,790 14.917,791 4.844,792 8.765,793 21.535,794 18.073,795 3.265,796 107.75,799 140.561,800 59.501,801 85.153,802 318.292,803 55.07,804 27.282,805 436.003,806 85.153,807 7.19,808 4.592,809 266.791,810 179.71,811 4.043,812 14.792,813 126.388,815 117.711,816 112.435,817 318.292,818 55.07,820 117.711,821 60.79,822 257.502,823 19.663,824 42.415,825 73.207,826 32.22,827 117.711,828 403.445,829 59.501,830 22.85,831 22.85,832 117.711,833 43.692,834 17.708,836 401.546,837 117.711,838 403.445,839 82.351,841 0.615,842 0.324,843 0.177,844 0.083,845 27,846 15,847 0.17,848 9,849 1,850 1.143,851 4.068,852 305.09,853 0.143,854 14,855 164.465,857 1,860 26.947,861 9.776,862 6.522,863 0.353,864 401.546,865 1.213,866 12.284,870 0.347,871 1.242,872 266.791,873 603.507,874 43,877 33.896,882 -16.709,883 54.833,884 58.626,885 0.386,886 0.734,887 0.861,888 0.928,889 0.956,890 0.956,891 5.121,892 1.898,893 6.168,894 6.614,895 4.71,896 5.121,897 3.024,898 7.102,899 4.589,900 6.416,901 1.587,902 7.821,903 5.908,904 4.844,905 5.447,907 8.494,908 4.742,909 7.816,910 1.15,911 9.578,912 4.754,913 6.544,914 7.424,915 5.042,916 11.457,917 6.362,918 9.243,919 0.921,920 11.39,921 3.017,922 7.34,923 8.416,925 13.5,926 7.174,927 10.692,928 0.716,929 13.232,930 2.543,931 8.675,932 10.047,933 7.187,934 16.113,935 8.458,936 12.157,937 0.403,938 15.094,939 1.76,940 9.711,941 11.301,943 18.397,944 9.497,945 13.632,946 -0.021,947 16.969,948 0.616,949 10.939,950 12.83,951 9.348,952 20.904,953 10.694,954 3.439,955 -0.198,956 18.855,957 -0.05,958 12.068,959 14.207,961 23.289,962 11.817,963 3.308,964 12.198,965 20.747,966 -0.695,967 13.267,968 15.707,969 11.511,970 25.763,971 12.995,972 3.117,973 11.647,974 22.646,975 4.611,976 14.435,977 17.146,979 28.193,980 14.154,981 3.02,982 10.555,983 24.55,984 4.038,985 15.629,986 18.642,987 13.675,988 30.66,989 15.335,990 2.735,991 10.176,992 26.459,993 3.731,994 16.814,995 20.115,997 33.112,998 16.513,999 2.45,1000 8.974,1001 28.371,1002 3.393,1003 18.011,1004 21.615,1005 15.838,1006 35.58,1007 17.7,1008 2.206,1009 8.015,1010 30.286,1011 3.371,1012 19.206,1013 23.108,1015 38.044,1016 18.89,1017 14116,1018 32051,1019 20.978,1020 34.721,1021 54.208,1022 59.497,1023 57.245,1024 53.521,1025 53.901,1026 65.607,1027 7.982,1028 173.554,1029 50.259,1030 5.664,1031 6.332,1032 6.592,1033 5.553,1034 5.439,1035 7.611,1036 5.9,1037 19.913,1038 5.361,1039 25.395,1040 1.549,1041 1.7,1042 1.636,1043 1.529,1044 1.54,1045 1.874,1046 0.228,1047 4.959,1048 1.436,1049 4.106,1050 4.154,1051 4.655,1052 4.017,1053 7.486,1054 3.949,1055 3.838,1056 3.841,1057 4.384,1058 3.91,1059 7.445,1060 3.663,1061 3.757,1062 3.728,1063 4.129,1064 3.761,1065 7.41,1066 3.578,1067 3.553,1068 3.525,1069 4.069,1070 3.596,1071 6.495,1072 3.353,1073 3.385,1074 3.433,1075 3.795,1076 3.438,1077 6.437,1078 3.22,1079 3.267,1080 3.281,1081 3.636,1082 3.308,1083 6.4,1084 3.058,1085 3.178,1086 3.233,1087 3.169,1088 3,1089 6.351,1090 2.96,1091 3.049,1092 3.079,1093 2.95,1094 2.823,1095 6.34,1096 2.806,1097 0.134,1098 0.124,1099 0.202,1100 0.127,1101 0.098,1102 4.68,1103 0.132,1104 4.332,1105 0.084,1106 7.058,1107 0.349,1108 4.437,1109 0.098,1110 3.439,1111 4.611,1112 2.95,1113 12.198,1114 3.433,1115 1.798,1116 1.759,1117 1.828,1118 1.993,1119 1.171,1120 1.954,1121 1.624,1122 1.62,1123 1.769,1124 1.823,1125 1,1126 1.829,1127 1.547,1128 1.541,1129 1.645,1130 1.784,1131 0.785,1132 1.764,1133 1.481,1134 1.463,1135 1.519,1136 1.563,1137 0.642,1138 1.702,1139 1.284,1140 1.303,1141 1.343,1142 1.463,1143 0.523,1144 1.522,1145 1.243,1146 1.19,1147 1.112,1148 1.415,1149 0.421,1150 1.502,1151 1.101,1152 1.068,1153 1.05,1154 1.33,1155 0.217,1156 1.375,1157 0.966,1158 0.972,1159 0.956,1160 1.208,1161 0.116,1162 1.234,1163 4.263,1165 5.673,1166 3.045,1167 7.233,1168 5.476,1169 8.865,1170 7.627,1171 10.54,1172 1.699,1174 5.83,1175 56.36,1176 -0.96,1179 17.069,1180 1.182,1181 -6.056,1184 33.572,1185 111.711,1186 212.235,1187 249.029,1188 268.539,1189 276.539,1190 276.539,1191 122.463,1192 7.714,1193 279.13,1194 333.86,1195 16,1196 12.93,1197 3.807,1198 3.17,1199 64.376,1200 150,1201 132,1202 0.211,1203 221.237,1204 376.69,1205 531.578,1206 23159,1208 24.767,1209 0.751,1210 0.599,1211 25.871,1212 19.751,1213 15.123,1214 0.432,1215 0.406,1216 8.642,1217 11.522,1218 8.104,1219 6.589,1220 18.314,1221 14.209,1222 16.451,1223 0.299,1224 0.21,1225 20.955,1226 11.546,1227 11.083,1228 0.171,1229 0.129,1230 14.406,1231 8.39,1232 10.235,1233 0.112,1234 0.068,1235 14.59,1236 6.16,1237 6.487,1238 0.066,1239 0.036,1240 8.457,1241 3.6,1242 0.334,1243 129.854,1244 0.218,1245 30.598,1246 0.573,1247 180,1248 828.637,1249 350.586,1250 809.66,1251 1050.79,1252 736,1253 210,1254 644.083,1255 407.132,1256 744.706,1257 1119.26,1258 690,1259 7.268}
{0 CHEMBL339385,1 2.106,2 20.245,3 -6.515,4 42.444,5 167.512,6 10.327,7 0.345,8 4.589,9 4.665,10 4.675,11 3.979,12 5.83,13 4.015,14 5.184,15 5.254,16 4.996,17 4.414,18 6.92,19 4.409,20 5.369,21 5.494,22 5.11,23 4.511,24 6.754,25 4.516,26 5.542,27 5.663,28 5.107,29 4.565,30 7.339,31 4.545,32 5.469,33 5.63,34 5.039,35 4.541,36 6.83,37 4.489,38 5.465,39 5.581,40 5.072,41 4.486,42 7.274,43 4.471,44 5.428,45 5.564,46 4.983,47 4.45,48 7.022,49 4.386,50 5.349,51 5.474,52 4.95,53 4.363,54 7.085,55 4.321,56 1.473,57 1.176,58 20.371,59 9.054,60 174.542,61 5.265,62 3.17,63 1.795,64 35.18,65 16.887,66 312.362,67 10.37,68 3.695,69 1.984,70 51.111,71 18.477,72 394.789,73 13.609,74 4.905,75 2.028,76 61.958,77 21.647,78 591.414,79 15.858,80 4.234,81 1.916,82 65.34,83 20.843,84 451.066,85 16.038,86 4.619,87 1.771,88 64,89 21.004,90 586.967,91 15.234,92 4.412,93 1.677,94 60.865,95 20.082,96 515.056,97 13.719,98 4.147,99 1.518,100 60.858,101 18.471,102 545.432,103 12.839,104 197,105 91,106 0.317,107 0.633,108 0.731,109 0.776,110 0.791,111 0.791,112 3.991,113 1.049,114 -2.77,115 -2.78,116 -2.7,117 24.7,122 2,124 6,125 2,134 2,135 2,136 2,144 2,145 2,146 2,147 2,148 2,150 12,151 4,153 20,156 2,157 14,162 3,163 6,165 12,166 2,167 8,168 2,170 6,173 18,175 2,176 4,177 20,178 3,184 2,187 6,189 8,191 8,194 6,199 10,201 4,202 2,203 18,204 4,206 2,209 1,211 12,213 4,215 10,216 4,218 4,219 2,223 4,225 8,227 10,228 5,230 2,231 2,236 18,239 2,240 14,241 2,243 2,247 7316,248 33.601,249 33.601,250 33.601,251 33.601,252 33.601,253 30.515,254 26.849,255 18.521,256 34.596,257 28.528,258 28.528,259 28.528,260 28.528,261 28.528,262 23.647,263 30.029,264 8.722,265 30.352,266 4.234,267 2.133,268 1.485,269 1.185,270 1.086,271 1.086,272 4.682,276 2350,277 6.245,279 666.415,280 372.22,282 561.642,284 3.288,285 141.813,287 0.25,288 0.17,289 0.33,290 0.5,291 0.5,292 0.17,294 0.27,295 128.667,296 1073,297 4.726,298 3.592,299 7.147,300 4.49,301 3.491,302 4.581,303 1.041,304 12.527,305 3.486,306 4.642,307 3.59,308 6.926,309 4.29,310 3.313,311 4.581,312 1.041,313 11.626,314 3.277,315 4.641,316 3.495,317 6.924,318 4.222,319 3.298,320 4.087,322 11.61,323 3.045,324 4.545,325 3.315,326 6.893,327 4.217,328 3.275,329 3.892,331 11.577,332 3.041,333 4.293,334 3.139,335 6.55,336 4.003,337 3.029,338 3.618,340 10.33,341 2.979,342 4.143,343 3.126,344 6.529,345 3.938,346 2.999,347 3.357,349 10.117,350 2.809,351 4.136,352 3.022,353 6.512,354 3.924,355 2.965,356 3.323,358 10.098,359 2.802,360 4.039,361 2.73,362 6.169,363 3.696,364 2.7,365 3.32,367 9.112,368 2.688,369 3.66,370 2.591,371 5.891,372 3.313,373 2.387,374 2.919,376 7.93,377 2.202,378 3.66,379 2.584,380 5.89,381 3.312,382 2.386,383 2.918,385 7.928,386 2.202,387 3.058,388 2.242,389 5.236,390 2.826,391 1.9,392 2.324,394 5.871,395 1.75,396 3.058,397 2.239,398 5.236,399 2.825,400 1.899,401 2.324,403 5.87,404 1.749,405 3.029,406 1.969,407 4.787,408 2.483,409 1.591,410 2.11,412 4.714,413 1.415,414 3.029,415 1.969,416 4.786,417 2.483,418 1.591,419 2.11,421 4.713,422 1.415,423 2.731,424 1.549,425 4.145,426 2.444,427 1.542,428 1.76,429 3.671,430 1.386,431 24.333,432 0.459,433 2.255,434 0.043,435 63.5,436 1.198,437 23,438 0.434,439 40.5,440 0.764,441 59.154,442 1.116,443 63.267,444 0.781,445 72.919,446 1.376,447 12.117,448 0.229,449 12.558,450 0.237,451 0.197,452 0.164,453 0.321,454 1.336,455 1.902,456 0.775,457 1.891,458 1.153,459 0.982,460 0.614,461 0.927,462 0.67,463 0.64,464 0.56,465 0.839,466 1.122,467 1.344,468 0.939,469 1.389,470 0.96,471 1.112,472 0.805,473 0.837,474 0.936,475 0.794,476 0.767,477 0.996,478 1.134,479 1.012,480 1.065,481 1.211,482 1.105,483 1.043,484 0.904,485 1.009,486 1.087,487 1.165,488 0.905,489 1.054,490 1.207,491 0.893,492 1.246,493 1.173,494 1.266,495 1.074,496 1.206,497 1.142,498 1.325,499 1.446,500 1.245,501 1.118,502 16.5,503 0.783,504 8.222,505 7.472,506 3.587,507 2.785,508 2.002,509 1.389,510 1.096,511 0.77,512 64982,513 264314,514 1.983,515 34.6,517 10,518 2,519 4,520 12,524 1.861,525 1.777,526 4.232,527 7.995,532 170.553,533 2.106,534 4.207,535 4.855,536 5.155,537 5.253,538 5.253,539 3.652,540 4.341,541 5.702,542 4.501,543 6202,544 10.13,545 140136,549 513.528,550 1.841,551 5.599,552 0.284,553 0.012,554 0.09,555 0.083,556 0.038,557 0.035,558 0.022,559 0.019,560 0.015,561 0.011,562 0.61,563 0.17,564 0.38,565 0.615,566 330.717,567 -0.495,568 -0.474,569 0.251,570 -0.379,571 -0.373,572 0.032,573 0.38,574 0.221,575 0.085,576 0.257,577 0.278,578 0.024,579 -0.176,580 -0.228,581 0.076,582 -0.22,583 -0.128,584 -0.095,585 0.254,586 0.115,587 -0.011,588 0.105,589 0.279,590 -0.061,591 -0.153,592 -0.023,593 0.042,594 -0.07,595 -0.177,596 0.015,597 0.207,598 -0.05,599 -0.024,600 -0.052,601 0.238,602 -0.07,603 -0.087,604 0.045,605 -0.107,606 0.007,607 -0.138,608 -0.083,609 -0.051,610 -0.191,611 -0.111,612 -0.133,613 0.008,614 -0.103,615 6.998,616 5.411,617 0.528,618 86.155,619 1.072,620 1.153,621 1.542,622 2.378,623 0.664,624 4.078,625 4.522,626 4.762,627 5.088,628 5.187,629 5.366,630 5.476,631 5.635,632 5.645,633 5.684,634 11.867,635 0.658,636 836.46,637 4.078,638 5.7,639 6.569,640 7.508,641 8.39,642 9.329,643 10.216,644 11.154,645 12.046,646 12.983,647 12.3,649 2,653 2,655 6,658 4,659 4,660 6,664 2,665 2,666 20,669 2,675 81,676 24,678 58,679 86,680 20,681 10,685 6,686 8,689 6,691 6,692 10,693 10,695 4,698 4,703 4,705 28,706 27,707 12,708 33,709 4,711 2,712 10,714 0.667,715 19,717 4,720 2,721 4,722 4,725 2,727 4,728 2,730 2,737 8,738 2,739 4,744 53,745 2,748 8,749 2,752 7,754 8,760 23.5,761 8,762 4,763 7,767 29.833,768 13,769 10.889,770 3.699,771 4,773 3.628,774 1.391,775 0.899,776 11.43,777 12.906,778 4.29,779 4.945,780 5.415,781 6.027,782 6.395,783 6.76,784 7.098,785 7.454,786 7.415,787 7.566,788 1,789 90,790 17.633,791 4.844,792 8.621,793 34.892,794 29.949,795 3.121,796 165.389,799 227.751,800 56.034,801 170.306,802 444.687,803 39.414,804 56.034,805 633.024,806 170.306,808 9.185,809 385.055,810 333.305,811 25.324,812 28.198,813 117.711,815 188.338,816 226.34,817 444.687,818 39.414,820 188.338,821 81.053,822 363.634,823 55.176,824 70.45,825 140.127,827 188.338,828 614.993,829 56.034,830 39.414,831 39.414,832 188.338,833 21.56,834 38.273,836 611.194,837 188.338,838 614.993,839 95.447,841 0.617,842 0.347,843 0.188,844 0.089,845 46,846 24,847 0.163,848 14,849 2,850 1.143,851 5.732,852 593.059,853 0.143,854 28,855 251.58,860 40.392,861 14.998,862 8.758,863 0.405,864 611.194,865 4.465,866 23.407,870 -0.028,871 2.32,872 385.055,873 898.778,874 72,877 49.478,882 -23.92,883 86.855,884 93.424,885 0.332,886 0.664,887 0.766,888 0.813,889 0.829,890 0.829,891 5.628,892 2.7,893 6.671,894 10.098,895 5.209,896 5.635,897 1.674,898 7.609,899 5.093,900 6.906,901 2.387,902 8.325,903 9.112,904 5.263,905 5.864,907 8.965,908 5.156,909 8.294,910 2.386,911 10.083,912 7.93,913 7.027,914 7.927,915 1.74,916 11.975,917 6.841,918 9.712,919 1.9,920 11.897,921 7.928,922 7.792,923 8.881,925 14.018,926 7.612,927 11.157,928 1.899,929 13.744,930 5.871,931 9.154,932 10.558,933 1.807,934 16.649,935 8.919,936 12.62,937 1.591,938 15.612,939 5.87,940 10.181,941 11.805,943 18.941,944 9.942,945 14.096,946 1.591,947 17.493,948 4.714,949 11.422,950 13.36,951 1.874,952 21.459,953 11.146,954 3.491,955 1.542,956 19.385,957 4.713,958 12.55,959 14.739,961 23.851,962 12.263,963 3.313,964 12.527,965 21.284,966 3.671,967 13.756,968 16.254,969 1.942,970 26.334,971 13.445,972 3.298,973 11.626,974 23.188,975 4.581,976 14.925,977 17.696,979 28.772,980 14.602,981 3.275,982 11.61,983 25.098,984 4.581,985 16.123,986 19.199,987 2.012,988 31.247,989 15.785,990 3.029,991 11.577,992 27.011,993 4.087,994 17.311,995 20.674,997 33.708,998 16.964,999 2.999,1000 10.33,1001 28.928,1002 3.892,1003 18.511,1004 22.177,1005 2.082,1006 36.185,1007 18.154,1008 2.965,1009 10.117,1010 30.847,1011 3.618,1012 19.709,1013 23.669,1015 38.658,1016 19.346,1017 60348,1018 122184,1019 36.293,1020 53.795,1021 90.701,1022 93.2,1023 94.585,1024 89.564,1025 89.895,1026 110.402,1027 4.164,1028 288.761,1029 84.171,1030 5.726,1031 5.592,1032 6.676,1033 5.606,1034 5.491,1035 7.581,1036 2.082,1037 20.252,1038 5.444,1039 39.003,1040 1.564,1041 1.607,1042 1.631,1043 1.544,1044 1.55,1045 1.903,1046 0.072,1047 4.979,1048 1.451,1049 4.126,1050 4.176,1051 4.693,1052 4.056,1053 7.471,1054 3.963,1055 4.084,1056 4.136,1057 4.501,1058 3.913,1059 7.442,1060 3.925,1061 3.86,1062 3.855,1063 4.259,1064 3.891,1065 7.42,1066 3.682,1067 3.811,1068 3.828,1069 4.094,1070 3.865,1071 7.402,1072 3.639,1073 3.764,1074 3.746,1075 4.064,1076 3.668,1077 6.5,1078 3.59,1079 3.639,1080 3.606,1081 4.016,1082 3.588,1083 6.489,1084 3.45,1085 3.454,1086 3.461,1087 3.71,1088 3.551,1089 6.4,1090 3.249,1091 3.338,1092 3.411,1093 3.703,1094 3.386,1095 6.4,1096 3.12,1097 0.081,1098 0.062,1099 0.123,1100 0.077,1101 0.06,1102 4.726,1103 0.079,1104 3.592,1105 0.018,1106 7.147,1107 0.216,1108 4.49,1109 0.06,1110 3.491,1111 4.581,1112 1.041,1113 12.527,1114 3.486,1115 1.797,1116 1.751,1117 1.849,1118 2.008,1119 1.171,1120 1.965,1121 1.797,1122 1.751,1123 1.849,1124 2.008,1125 1.171,1126 1.965,1127 1.632,1128 1.639,1129 1.776,1130 1.824,1131 0.996,1132 1.837,1133 1.617,1134 1.595,1135 1.776,1136 1.824,1137 0.996,1138 1.823,1139 1.558,1140 1.545,1141 1.65,1142 1.786,1143 0.755,1144 1.77,1145 1.526,1146 1.493,1147 1.65,1148 1.785,1149 0.755,1150 1.758,1151 1.482,1152 1.453,1153 1.349,1154 1.574,1155 0.567,1156 1.703,1157 1.355,1158 1.364,1159 1.348,1160 1.495,1161 0.467,1162 1.574,1163 4.762,1165 6.176,1166 3.714,1167 7.746,1168 6.168,1169 9.389,1170 8.32,1171 11.071,1174 11.448,1175 81.431,1176 -2.217,1179 31.644,1181 -13.042,1184 53.285,1185 170.553,1186 340.734,1187 393.263,1188 417.528,1189 425.528,1190 425.528,1191 200.016,1192 9.278,1193 433.97,1194 473.21,1195 32,1196 13.489,1197 4.644,1198 3.907,1199 88.66,1200 384,1201 329,1202 0.108,1203 334.425,1204 572.01,1205 807.757,1206 215506,1208 38.673,1209 0.73,1210 0.557,1211 39.673,1212 29.51,1213 24.675,1214 0.425,1215 0.35,1216 14.285,1217 20.133,1218 13.827,1219 11.159,1220 28.089,1221 20.29,1222 25.974,1223 0.285,1224 0.189,1225 31.216,1226 17.194,1227 19.723,1228 0.17,1229 0.115,1230 24.134,1231 13.323,1232 17.8,1233 0.111,1234 0.062,1235 23.753,1236 10.062,1237 11.814,1238 0.066,1239 0.035,1240 14.839,1241 6.29,1242 0.177,1243 194.924,1244 0.166,1245 45.749,1246 0.276,1247 298,1248 1302.52,1249 516.441,1250 1229.89,1251 1618.46,1252 1126,1253 356,1254 1043.39,1255 624.791,1256 1158.43,1257 1751.28,1258 1080,1259 6.74}
{0 CHEMBL339386,1 1.996,2 15.2,3 -0.889,4 0.791,5 151.113,6 9.963,7 0.449,8 4.394,9 4.464,10 4.447,11 3.902,12 5.622,13 3.904,14 4.955,15 5.017,16 4.733,17 4.295,18 6.718,19 4.269,20 5.14,21 5.27,22 4.804,23 4.39,24 6.404,25 4.368,26 5.279,27 5.397,28 4.802,29 4.404,30 7.032,31 4.386,32 5.257,33 5.409,34 4.726,35 4.398,36 6.6,37 4.362,38 5.241,39 5.371,40 4.742,41 4.381,42 6.893,43 4.373,44 5.291,45 5.44,46 4.69,47 4.378,48 6.734,49 4.347,50 5.188,51 5.333,52 4.706,53 4.35,54 6.626,55 4.323,56 0.951,57 1.04,58 16.842,59 8.57,60 112.456,61 5.096,62 2.326,63 1.572,64 27.616,65 14.328,66 235.333,67 9.649,68 2.302,69 1.854,70 38.573,71 16.269,72 237.972,73 12.529,74 3.217,75 1.912,76 43.998,77 17.787,78 408.392,79 14.017,80 2.804,81 1.891,82 46.106,83 17.184,84 312.771,85 13.922,86 2.728,87 1.87,88 42.775,89 16.951,90 368.592,91 14.845,92 2.934,93 1.89,94 44.142,95 16.577,96 311.184,97 13.904,98 2.328,99 1.824,100 42.54,101 16.23,102 287.166,103 13.236,104 108,105 74,106 0.309,107 0.655,108 0.761,109 0.846,110 0.892,111 0.892,112 3.832,113 1.044,114 -4.68,115 -4.6,116 -4.32,117 33.3,122 1,124 3,125 1,130 9,131 3,134 1,135 1,136 1,142 1,144 1,145 1,146 1,147 1,148 1,150 8,151 4,152 13,153 12,154 2,156 1,157 11,158 1,160 16,162 2,163 5,164 4,165 7,166 1,167 3,170 5,171 14,173 9,174 4,175 1,176 2,177 13,178 3,182 10,184 1,187 8,188 4,189 3,191 2,193 1,194 4,195 8,199 3,200 6,201 3,202 1,203 10,204 3,205 2,207 4,211 12,212 11,214 1,215 4,217 2,218 1,220 1,224 12,225 6,227 3,228 2,229 1,231 1,233 1,236 13,237 13,239 2,240 9,242 3,243 1,245 2,246 1,247 5208,248 28.894,249 28.894,250 28.894,251 28.894,252 28.894,253 25.64,254 16.689,255 16.426,256 29.45,257 24.191,258 24.191,259 24.191,260 24.191,261 24.191,262 19.168,263 18.676,264 7.807,265 25.169,266 4.112,267 1.876,268 1.193,269 0.642,270 0.348,271 0.348,272 4.523,276 1457,277 5.612,279 252.989,280 482.788,282 206.176,284 2.356,285 97.106,287 0.25,288 0.33,289 0.33,290 0.1,292 0.17,294 0.17,295 105.5,296 684,297 4.68,298 3.75,299 7.058,300 4.437,301 3.439,302 4.581,303 1.674,304 12.198,305 3.433,306 4.644,307 3.516,308 6.957,309 4.24,310 3.317,311 4.038,312 1.041,313 11.775,314 3.105,315 4.392,316 3.443,317 6.598,318 4.109,319 3.116,320 3.926,322 10.556,323 3.052,324 4.293,325 3.157,326 6.567,327 3.97,328 3.025,329 3.731,331 10.334,332 2.904,333 4.178,334 3.103,335 6.164,336 3.891,337 2.896,338 3.521,340 9.107,341 2.822,342 4.073,343 2.845,344 6.092,345 3.733,346 2.736,347 3.39,349 8.975,350 2.727,351 3.998,352 2.754,353 5.986,354 3.659,355 2.666,356 3.324,358 8.46,359 2.639,360 3.662,361 2.588,362 5.891,363 3.313,364 2.387,365 2.942,367 7.929,368 2.202,369 3.393,370 2.315,371 5.308,372 2.948,373 1.997,374 2.754,376 6.223,377 1.912,378 3.08,379 2.116,380 4.86,381 2.822,382 1.852,383 2.324,385 4.983,386 1.768,387 3.046,388 1.969,389 4.528,390 2.524,391 1.62,392 2.157,394 4.646,395 1.461,396 2.914,397 1.716,398 4.156,399 2.448,400 1.544,401 2.024,403 3.671,404 1.396,405 2.714,406 1.549,407 4.095,408 2.357,409 1.376,410 1.753,412 3.439,413 1.332,414 2.516,415 1.461,416 4.055,417 2.036,418 1.068,419 1.5,421 2.919,422 1.027,423 2.5,424 1.255,425 3.791,426 2,427 1.016,428 1.5,429 2.595,430 1,431 21.167,432 0.47,433 1.72,434 0.038,435 58.25,436 1.294,437 26.5,438 0.589,439 31.75,440 0.706,441 43.426,442 0.965,443 50.833,444 0.737,445 61.409,446 1.365,447 11.382,448 0.253,449 9.742,450 0.216,451 0.161,452 0.142,453 0.279,454 1.197,455 1.516,456 0.752,457 1.751,458 1.042,459 0.924,460 0.463,461 0.865,462 0.711,463 0.725,464 0.41,465 0.896,466 1.042,467 1.161,468 0.88,469 1.224,470 0.886,471 1.065,472 0.739,473 0.894,474 0.903,475 0.832,476 0.676,477 1.021,478 1.077,479 0.885,480 0.961,481 0.934,482 1.057,483 0.983,484 0.767,485 1.077,486 0.921,487 1.031,488 0.74,489 1.067,490 1.039,491 0.822,492 0.952,493 0.723,494 1.072,495 0.945,496 1.091,497 1.168,498 0.985,499 1.096,500 1.006,501 1.027,502 13,503 0.655,504 6,505 4.861,506 2.327,507 2.125,508 1.578,509 1.013,510 0.867,511 0.733,512 35069,513 141601,514 2.001,515 34.8,517 14,518 1,519 2,520 7,524 1.833,525 1.818,526 3.807,527 3.847,532 137.74,533 1.996,534 4.232,535 4.916,536 5.467,537 5.761,538 5.761,539 3.337,540 5.031,541 5.458,542 4.073,543 4031.92,544 9.709,545 76403.1,549 421.488,550 1.771,551 5.379,552 0.265,553 0.009,554 0.081,555 0.068,556 0.03,557 0.031,558 0.021,559 0.015,560 0.013,561 0.01,562 0.544,564 0.38,565 1.459,566 262.503,567 -0.388,568 -0.25,569 0.269,570 -0.342,571 -0.324,572 0.033,573 0.546,574 0.235,575 0.053,576 0.177,577 0.414,578 -0.045,579 -0.146,580 -0.111,581 0.076,582 -0.179,583 -0.146,584 -0.073,585 0.311,586 0.077,587 -0.027,588 0.022,589 0.339,590 -0.096,591 -0.105,592 0.078,593 -0.006,594 -0.009,595 -0.153,596 0.011,597 0.199,598 -0.105,599 -0.014,600 -0.126,601 0.239,602 -0.084,603 -0.015,604 0.113,605 -0.052,606 0.092,607 -0.108,608 0.012,609 -0.137,610 -0.183,611 -0.006,612 -0.109,613 -0.071,614 -0.027,615 6.602,616 6.19,617 0.578,618 64.047,619 1.054,620 1.133,621 3.448,622 11.889,623 0.693,624 3.912,625 4.317,626 4.522,627 4.836,628 4.977,629 5.147,630 5.303,631 5.468,632 5.598,633 5.733,634 9.113,635 0.677,636 687.43,637 3.912,638 5.509,639 6.358,640 7.279,641 8.143,642 9.067,643 9.94,644 10.866,645 11.746,646 12.673,647 7.2,649 1,653 1,655 3,658 2,659 11,660 3,664 4,665 1,666 22,668 1,669 1,675 69,676 26,677 2,678 49,679 73,680 23,681 17,682 3,683 9,684 1,685 5,686 6,689 3,691 3,692 18,693 5,695 4,698 4,702 1,703 3,705 24,706 18,707 7,708 22,709 3,711 1,712 5,714 0.8,715 14,717 1,720 1,721 3,722 3,725 1,727 2,728 3,730 1,737 5,738 1,739 4,744 45,745 1,748 5,749 1,752 5,754 4,760 20.3,761 5,762 4,763 4,764 1,767 24.75,768 11.483,769 9.375,770 3.36,771 3,773 3.635,774 1.419,775 0.945,776 9.734,777 12.303,778 4.174,779 4.806,780 5.267,781 5.859,782 6.288,783 6.587,784 6.986,785 7.319,786 7.499,787 7.783,788 1,789 72,790 15.026,791 4.844,792 8.465,793 29.988,794 25.203,795 2.965,796 133.417,799 222.959,800 130.051,801 85.153,802 311.753,803 22.85,804 130.051,805 511.862,806 85.153,808 4.592,809 309.394,810 223.817,811 33.218,812 14.099,813 164.795,815 200.109,816 215.204,817 311.753,818 22.85,820 200.109,821 96.934,822 214.819,823 27.588,824 137.259,825 73.207,827 200.109,828 396.906,829 130.051,830 22.85,831 22.85,832 200.109,833 27.528,834 104.423,836 395.007,837 200.109,838 396.906,839 152.901,841 0.604,842 0.326,843 0.179,844 0.087,845 36,846 18,847 0.164,848 12,849 1,850 1.077,851 5.107,852 479.171,853 0.077,854 26,855 237.133,860 33.479,861 13.084,862 8.103,863 0.26,864 395.007,865 18.105,866 12.054,870 1.847,871 1.262,872 224.108,873 749.916,874 64,877 47.996,881 -0.876,882 -16.979,883 72.735,884 78.161,885 0.327,886 0.693,887 0.805,888 0.895,889 0.943,890 0.943,891 5.47,892 2.387,893 6.435,894 8.46,895 5.004,896 5.495,897 2.172,898 7.334,899 4.928,900 6.735,901 1.997,902 8.059,903 7.929,904 4.977,905 5.602,907 8.632,908 4.905,909 8.102,910 1.852,911 9.79,912 6.223,913 6.772,914 7.747,915 2.948,916 11.618,917 6.644,918 9.5,919 1.62,920 11.581,921 4.983,922 7.474,923 8.581,925 13.625,926 7.346,927 10.926,928 1.544,929 13.408,930 4.646,931 8.85,932 10.306,933 3.863,934 16.233,935 8.681,936 12.371,937 1.376,938 15.257,939 3.671,940 9.834,941 11.454,943 18.501,944 9.657,945 13.829,946 1.068,947 17.122,948 3.439,949 11.074,950 13.026,951 4.847,952 21,953 10.868,954 3.439,955 1.016,956 18.997,957 2.919,958 12.174,959 14.331,961 23.376,962 11.955,963 3.317,964 12.198,965 20.881,966 2.595,967 13.372,968 15.843,969 5.859,970 25.844,971 13.131,972 3.116,973 11.775,974 22.772,975 4.581,976 14.522,977 17.232,979 28.269,980 14.268,981 3.025,982 10.556,983 24.668,984 4.038,985 15.711,986 18.723,987 6.883,988 30.733,989 15.44,990 2.896,991 10.334,992 26.57,993 3.926,994 16.886,995 20.16,997 33.183,998 16.602,999 2.736,1000 9.107,1001 28.475,1002 3.731,1003 18.076,1004 21.648,1005 7.911,1006 35.65,1007 17.781,1008 2.666,1009 8.975,1010 30.384,1011 3.521,1012 19.264,1013 23.114,1015 38.114,1016 18.959,1017 33568,1018 68061,1019 31.205,1020 47.812,1021 76.132,1022 77.901,1023 77.137,1024 74.867,1025 75.127,1026 96.225,1027 5.431,1028 231.907,1029 72.092,1030 5.664,1031 5.75,1032 6.86,1033 5.56,1034 5.439,1035 7.581,1036 3.349,1037 19.912,1038 5.433,1039 29.734,1040 1.554,1041 1.59,1042 1.574,1043 1.528,1044 1.533,1045 1.964,1046 0.111,1047 4.733,1048 1.471,1049 4.114,1050 4.161,1051 4.655,1052 4.023,1053 7.487,1054 3.977,1055 4.001,1056 4.024,1057 4.384,1058 3.96,1059 7.445,1060 3.924,1061 3.84,1062 3.848,1063 4.09,1064 3.892,1065 7.432,1066 3.704,1067 3.782,1068 3.785,1069 4.065,1070 3.76,1071 7.41,1072 3.653,1073 3.736,1074 3.725,1075 3.95,1076 3.702,1077 6.45,1078 3.576,1079 3.553,1080 3.524,1081 3.744,1082 3.586,1083 6.437,1084 3.353,1085 3.342,1086 3.407,1087 3.664,1088 3.436,1089 6.351,1090 3.126,1091 3.286,1092 3.281,1093 3.264,1094 3.085,1095 6.34,1096 3.088,1097 0.096,1098 0.077,1099 0.144,1100 0.091,1101 0.07,1102 4.68,1103 0.093,1104 3.75,1105 0.034,1106 7.058,1107 0.249,1108 4.437,1109 0.07,1110 3.439,1111 4.581,1112 1.674,1113 12.198,1114 3.433,1115 1.992,1116 1.972,1117 2.089,1118 2.058,1119 1.2,1120 2.068,1121 1.8,1122 1.759,1123 1.899,1124 2.007,1125 1.18,1126 1.966,1127 1.768,1128 1.738,1129 1.845,1130 1.878,1131 1.001,1132 1.88,1133 1.623,1134 1.619,1135 1.773,1136 1.804,1137 0.952,1138 1.823,1139 1.547,1140 1.542,1141 1.648,1142 1.783,1143 0.762,1144 1.76,1145 1.481,1146 1.463,1147 1.352,1148 1.564,1149 0.524,1150 1.702,1151 1.286,1152 1.304,1153 1.199,1154 1.476,1155 0.427,1156 1.522,1157 1.161,1158 1.144,1159 1.181,1160 1.359,1161 0.308,1162 1.4,1163 4.595,1165 5.979,1166 3.045,1167 7.527,1168 5.476,1169 9.148,1170 7.636,1171 10.81,1174 5.855,1175 47.731,1176 -1.023,1179 23.395,1181 -6.211,1184 46.68,1185 137.74,1186 292.011,1187 339.184,1188 377.224,1189 397.488,1190 397.488,1191 142.936,1192 8.669,1193 285.2,1194 314.63,1195 28,1196 13.186,1197 4.755,1198 4,1199 76.277,1200 234,1201 284,1202 0.149,1203 293.932,1204 509.57,1205 708.953,1206 76841,1208 32.57,1209 0.724,1210 0.559,1211 33.32,1212 25.169,1213 21.124,1214 0.431,1215 0.348,1216 12.58,1217 17.882,1218 12.132,1219 9.911,1220 23.757,1221 17.058,1222 21.727,1223 0.294,1224 0.186,1225 25.738,1226 13.759,1227 15.694,1228 0.172,1229 0.111,1230 18.562,1231 10.065,1232 14.298,1233 0.114,1234 0.059,1235 18.259,1236 7.385,1237 9.923,1238 0.069,1239 0.031,1240 11.479,1241 4.414,1242 0.235,1243 161.19,1244 0.179,1245 39.41,1246 0.407,1247 246,1248 1009.1,1249 400.294,1250 966.606,1251 1274.29,1252 884,1253 288,1254 828.392,1255 475.422,1256 921.006,1257 1376.6,1258 859,1259 8.699}
{0 CHEMBL494161,1 1.747,2 10.846,3 2.44,4 5.952,5 109.434,6 9.68,7 0.444,8 3.986,9 4.104,10 3.756,11 3.467,12 5.159,13 3.43,14 4.487,15 4.662,16 4.179,17 3.844,18 5.597,19 3.77,20 4.708,21 4.895,22 4.453,23 4.016,24 5.855,25 3.918,26 4.808,27 5.013,28 4.419,29 4.042,30 5.962,31 3.923,32 4.806,33 5.024,34 4.243,35 4.056,36 5.938,37 3.902,38 4.715,39 4.919,40 4.44,41 4.069,42 5.781,43 3.893,44 4.738,45 4.956,46 4.367,47 3.973,48 5.908,49 3.752,50 4.678,51 4.979,52 3.657,53 3.601,54 5.715,55 3.404,56 0.131,57 0.696,58 7.545,59 4.576,60 18.854,61 5.423,62 0.392,63 1.043,64 19.224,65 8.111,66 43.277,67 9.288,68 0.58,69 1.245,70 35.568,71 10.437,72 52.277,73 11.661,74 0.647,75 1.307,76 40.508,77 11.587,78 77.338,79 12.868,80 0.825,81 1.322,82 49.825,83 11.955,84 74.216,85 13.345,86 0.401,87 1.285,88 34.683,89 11.634,90 41.886,91 12.605,92 0.485,93 1.267,94 80.065,95 12.573,96 68.021,97 13.036,98 0.97,99 0.954,100 48.586,101 9.031,102 92.603,103 10.935,104 68,105 37,106 0.301,107 0.669,108 0.825,109 0.832,110 0.832,111 0.832,112 3.304,113 1.014,114 -2.96,115 -2.96,116 -2.86,117 34.7,118 2,120 1,121 1,122 2,124 1,130 2,131 1,132 4,133 1,135 1,137 1,146 1,147 1,148 1,152 4,153 1,154 3,156 1,157 3,160 6,163 2,164 5,166 1,167 1,168 2,171 5,174 4,176 1,177 1,178 2,181 1,182 3,187 1,188 6,191 5,193 2,195 1,198 2,200 4,205 2,207 2,210 2,212 6,216 2,217 5,219 2,222 3,223 2,226 1,227 3,229 2,242 3,247 1000,248 17.196,249 17.196,250 17.196,251 17.196,252 17.196,253 15.667,254 24.133,255 9.924,256 17.909,257 13.083,258 13.083,259 13.083,260 13.083,261 13.083,262 10.683,263 33.769,264 4.428,265 14.317,266 3.868,267 1.732,268 0.822,269 0.781,270 0.781,271 0.781,272 3.963,274 1,275 1,276 567,277 3.808,280 189.171,284 1.716,285 30.506,287 1,288 0.83,289 1,290 1,291 1,292 1,293 1,294 0.98,295 57.4,296 282,297 4.435,298 3.409,299 6.507,300 4.046,301 3.097,302 4.104,303 0.86,304 10.186,305 2.945,306 4.228,307 3.106,308 6.075,309 3.788,310 2.861,311 3.876,312 0.86,313 8.805,314 2.649,315 3.804,316 2.916,317 5.885,318 3.458,319 2.547,320 3.155,321 0.4,322 7.986,323 2.347,324 3.641,325 2.761,326 5.506,327 3.41,328 2.483,329 2.886,331 7.365,332 2.177,333 3.243,334 2.344,335 5.012,336 2.982,337 2.058,338 2.369,340 5.837,341 1.893,342 3.139,343 2.139,344 4.887,345 2.804,346 1.864,347 2.257,349 5.352,350 1.743,351 2.825,352 1.946,353 4.185,354 2.341,355 1.441,356 1.953,358 3.731,359 1.296,360 2.577,361 1.543,362 4.092,363 2.24,364 1.351,365 1.588,367 3.379,368 1.052,369 1.909,370 1.296,371 3.337,372 1.613,373 0.749,374 0.841,376 1.633,377 0.595,378 1.618,379 1.093,380 3.016,381 1.477,382 0.618,383 0.618,385 0.881,386 0.525,387 1.614,388 0.884,389 2.782,390 1.298,391 0.427,392 0.486,394 0.791,395 0.361,396 1.22,397 0.603,398 2.621,399 0.973,400 0.108,401 0.118,403 0.183,404 0.093,405 1.074,406 0.408,407 2.618,408 0.714,409 -0.124,410 -0.142,412 -0.226,413 -0.047,414 0.845,415 -0.047,416 2.332,417 0.378,418 -0.468,419 -0.572,421 -1.173,422 -0.274,423 0.721,424 -0.261,425 2.211,426 0.33,427 -0.546,428 -0.62,429 -1.223,430 -0.482,431 13.076,432 0.503,433 0.698,434 0.027,435 30.75,436 1.183,437 14,438 0.538,439 16.75,440 0.644,441 26.005,442 1,443 29.524,444 0.603,445 22.002,446 0.846,447 5.798,448 0.223,449 6.59,450 0.253,451 0.322,453 0.344,454 1.057,455 1.341,456 0.5,457 0.702,458 1.123,459 0.909,460 1.05,461 0.924,462 0.572,463 0.642,464 0.915,465 0.786,466 0.929,467 1.059,468 0.889,469 0.939,470 0.76,471 0.933,472 1.116,473 1.027,474 0.821,475 0.886,476 1.009,477 0.957,478 0.896,479 0.899,480 1.073,481 0.982,482 0.764,483 0.992,484 0.972,485 1.248,486 1.082,487 1.032,488 0.789,489 1.076,490 0.947,491 1.561,492 2.183,493 2.027,494 0.917,495 1.513,496 0.984,497 0.494,498 0.766,499 0.632,500 1.004,501 0.707,502 6.5,503 0.157,504 3.111,505 2.063,506 1.818,507 1.153,508 0.811,509 0.394,510 0.234,511 0.151,512 6999,513 23523,514 1.91,515 46.9,516 7,517 10,519 1,520 5,524 1.691,525 1.733,526 3.36,527 2.634,529 1,531 1,532 85.592,533 1.747,534 3.883,535 4.793,536 4.834,537 4.834,538 4.834,539 2.907,540 4.239,541 4.668,542 3.56,543 1157.06,544 8.095,545 14570.9,549 275.121,550 1.57,551 4.592,552 0.241,553 0.01,554 0.084,555 0.05,556 0.048,557 0.032,558 0.023,559 0.015,560 0.013,561 0.009,562 0.524,563 0.17,564 0.88,565 1.467,566 127.624,567 -0.154,568 -0.11,569 -0.005,570 0.004,571 -0.212,572 0.018,573 -0.044,574 0.167,575 0.03,576 0.111,577 -0.039,578 0.144,579 0.08,580 0.024,581 0.016,582 0.001,583 0.048,584 0.027,585 -0.059,586 -0.016,587 0.012,588 0.004,589 -0.011,590 -0.005,591 0.076,592 0.143,593 -0.062,594 0.016,595 0.047,596 -0.022,597 -0.135,598 -0.169,599 -0.004,600 0.029,601 -0.067,602 -0.069,603 -0.06,604 -0.47,605 -0.169,606 -0.378,607 -0.004,608 -0.409,609 0.093,610 0.365,611 -0.008,612 0.151,613 -0.008,614 0.19,615 1.892,616 3.112,617 0.462,618 25.148,619 1.013,620 1.137,621 1.732,622 2.998,623 0.676,624 3.332,625 3.638,626 3.871,627 4.06,628 4.277,629 4.344,630 4.331,631 4.357,632 4.382,633 4.344,634 6.41,635 0.623,636 474.34,637 3.332,638 4.86,639 5.694,640 6.561,641 7.418,642 8.29,643 9.154,644 10.03,645 10.897,646 11.774,647 8.2,649 1,650 1,655 2,659 3,660 2,664 7,666 12,669 1,670 1,673 2,674 1,675 49,676 12,677 1,678 27,679 50,680 17,681 10,682 4,683 2,685 2,686 2,688 4,691 1,692 10,693 7,694 1,704 1,705 23,706 8,707 5,708 9,709 1,710 1,712 4,714 1,715 4,716 2,725 1,728 2,737 2,739 2,742 3,743 1,744 26,745 1,748 2,749 2,751 1,752 2,754 2,759 1,760 8.2,761 2,764 2,767 15,768 9.276,769 6.028,770 2.661,773 2.308,774 1.339,775 0.895,776 7.841,777 9.117,778 3.526,779 4.094,780 4.62,781 5.125,782 5.666,783 5.851,784 6.038,785 6.341,786 6.642,787 6.897,788 1,789 41,790 9.57,791 3.893,792 7.921,793 17.889,794 13.842,795 2.421,796 62.953,799 211.88,800 138.118,801 84.479,802 107.366,803 56.782,804 81.336,805 319.246,806 84.479,807 28.533,809 137.216,810 63.353,811 51.623,812 4.227,813 256.891,815 211.88,816 165.815,817 107.366,819 56.782,820 211.88,821 22,822 85.367,823 28.597,824 85.636,825 51.582,826 56.782,827 211.88,828 191.845,829 81.336,830 56.782,832 211.88,833 24.803,834 113.315,835 18.011,836 173.835,837 211.88,838 191.845,839 81.336,840 56.782,841 0.575,842 0.346,843 0.175,844 0.095,845 15,846 9,847 0.16,848 8,850 1,851 3.607,852 205.902,854 12,855 116.211,860 21.109,861 9.657,862 5.405,864 191.845,865 5.285,866 8.244,870 4.006,872 136.275,873 541.843,874 33,883 49.622,884 55.703,885 0.311,886 0.692,887 0.854,888 0.861,889 0.861,890 0.861,891 4.762,892 1.351,893 5.694,894 3.731,895 4.317,896 4.779,897 1.454,898 6.497,899 4.145,900 5.965,901 0.749,902 7.262,903 3.379,904 4.007,905 4.677,907 7.405,908 3.753,909 7.273,910 0.618,911 8.924,912 1.633,913 5.916,914 6.946,915 1.175,916 10.445,917 5.614,918 8.615,919 0.427,920 10.638,921 0.881,922 6.365,923 7.598,925 12.102,926 5.986,927 9.985,928 0.108,929 12.383,930 0.791,931 7.777,932 9.4,933 0.966,934 14.677,935 7.356,936 11.374,937 -0.124,938 14.149,939 0.183,940 8.566,941 10.401,943 16.664,944 8.077,945 12.779,946 -0.468,947 15.929,948 -0.226,949 9.786,950 12.005,951 0.788,952 19.066,953 9.256,954 3.097,955 -0.546,956 17.721,957 -1.173,958 10.737,959 13.185,961 21.214,962 10.147,963 2.861,964 10.186,965 19.522,966 -1.223,967 11.88,968 14.69,969 0.634,970 23.549,971 11.249,972 2.547,973 8.805,974 21.331,975 4.104,976 12.909,977 15.967,979 25.776,980 12.225,981 2.483,982 7.986,983 23.146,984 3.876,985 14.024,986 17.421,987 0.504,988 28.088,989 13.297,990 2.058,991 7.365,992 24.967,993 3.155,994 15.092,995 18.751,997 30.355,998 14.315,999 1.864,1000 5.837,1001 26.792,1002 2.886,1003 16.199,1004 20.178,1005 0.395,1006 32.66,1007 15.378,1008 1.441,1009 5.352,1010 28.621,1011 2.369,1012 17.288,1013 21.537,1015 34.949,1016 16.419,1017 7266,1018 13437,1019 16.819,1020 33.114,1021 39.177,1022 40.872,1023 42.272,1024 39.349,1025 39.21,1026 48.503,1027 4.24,1028 112.26,1029 35.351,1030 5.263,1031 5.409,1032 6.125,1033 5.134,1034 5.097,1035 7.104,1036 1.72,1037 17,1038 4.945,1039 17.462,1040 1.451,1041 1.514,1042 1.566,1043 1.457,1044 1.452,1045 1.796,1046 0.157,1047 4.158,1048 1.309,1049 3.984,1050 4.006,1051 10.695,1052 4.037,1053 6.469,1054 3.914,1055 3.839,1056 3.889,1057 3.914,1058 3.672,1059 6.443,1060 3.688,1061 3.624,1062 3.674,1063 3.775,1064 3.557,1065 5.218,1066 3.438,1067 3.513,1068 3.571,1069 3.505,1070 3.428,1071 4.869,1072 3.381,1073 3.233,1074 3.296,1075 3.309,1076 3.127,1077 4.727,1078 2.97,1079 3.035,1080 3.125,1081 3.074,1082 2.953,1083 4.517,1084 2.761,1085 3.014,1086 3.089,1087 2.886,1088 2.706,1089 4.197,1090 2.696,1091 2.908,1092 3.009,1093 2.826,1094 2.657,1095 4.039,1096 2.679,1097 0.164,1098 0.126,1099 0.241,1100 0.15,1101 0.115,1102 4.435,1103 0.152,1104 3.409,1105 0.032,1106 6.507,1107 0.377,1108 4.046,1109 0.109,1110 3.097,1111 4.104,1112 0.86,1113 10.186,1114 2.945,1115 1.927,1116 1.914,1117 2.023,1118 2.033,1119 1.256,1120 2.026,1121 1.748,1122 1.698,1123 1.874,1124 1.957,1125 1.127,1126 1.941,1127 1.566,1128 1.517,1129 1.76,1130 1.796,1131 0.904,1132 1.788,1133 1.521,1134 1.466,1135 1.71,1136 1.693,1137 0.724,1138 1.72,1139 1.179,1140 1.106,1141 1.547,1142 1.48,1143 0.568,1144 1.504,1145 0.934,1146 0.852,1147 1.417,1148 1.333,1149 0.469,1150 1.318,1151 0.922,1152 0.807,1153 1.305,1154 1.29,1155 0.403,1156 1.308,1157 0.887,1158 0.804,1159 1.185,1160 1.239,1161 0.164,1162 1.27,1163 4.007,1165 5.313,1167 6.817,1169 8.412,1171 10.055,1172 5.752,1173 2.18,1174 5.98,1175 18.225,1176 -0.5,1178 2.789,1179 11.335,1181 -0.342,1184 30.53,1185 85.592,1186 190.253,1187 234.856,1188 236.856,1189 236.856,1190 236.856,1191 62.18,1192 6.809,1193 122.75,1194 122.75,1195 12,1196 12.315,1197 3.7,1198 2.807,1199 55.018,1200 100,1201 98,1202 0.276,1203 202.236,1204 344.74,1205 485.216,1206 7089,1207 2,1208 19.267,1209 0.741,1210 0.655,1211 20.767,1212 17.019,1213 12.388,1214 0.459,1215 0.338,1216 7.947,1217 11.063,1218 7.616,1219 6.383,1220 13.254,1221 9.13,1222 10.855,1223 0.293,1224 0.192,1225 11.968,1226 7.093,1227 8.923,1228 0.19,1229 0.096,1230 9.983,1231 4.526,1232 6.893,1233 0.121,1234 0.051,1235 7.904,1236 2.888,1237 5.286,1238 0.074,1239 0.025,1240 5.928,1241 1.795,1242 0.432,1243 92.8,1244 0.244,1245 25.092,1246 0.757,1247 128,1248 430.354,1249 293.951,1250 444.164,1251 584.85,1252 414,1253 148,1254 389.256,1255 225.978,1256 406.536,1257 593.21,1258 379,1259 5}
{0 CHEMBL526307,1 1.753,2 8.476,3 2.934,4 8.611,5 91.686,6 10.533,7 0.545,8 3.735,9 3.86,10 3.594,11 3.277,12 4.922,13 3.227,14 4.211,15 4.387,16 4.045,17 3.649,18 5.357,19 3.564,20 4.378,21 4.537,22 4.312,23 3.811,24 5.542,25 3.701,26 4.465,27 4.653,28 4.255,29 3.836,30 5.546,31 3.686,32 4.517,33 4.732,34 4.025,35 3.844,36 5.535,37 3.649,38 4.433,39 4.646,40 4.281,41 3.851,42 5.422,43 3.63,44 4.395,45 4.61,46 4.215,47 3.767,48 5.468,49 3.497,50 4.357,51 4.68,52 3.399,53 3.351,54 5.313,55 3.1,56 0.067,57 0.564,58 3.982,59 3.409,60 11.107,61 3.988,62 0.245,63 0.83,64 13.387,65 6.443,66 25.684,67 7.161,68 0.333,69 0.96,70 24.375,71 8.198,72 28.881,73 8.221,74 0.27,75 1.005,76 27.625,77 9.473,78 32.398,79 9.777,80 0.458,81 1.025,82 42.763,83 10.637,84 39.771,85 10.764,86 0.297,87 0.988,88 28.372,89 9.843,90 28.995,91 9.838,92 0.197,93 1.011,94 73.129,95 11.294,96 28.186,97 10.043,98 0.495,99 0.783,100 40.923,101 7.813,102 50.538,103 8.778,104 41,105 31,106 0.319,107 0.674,108 0.801,109 0.83,110 0.83,111 0.83,112 3.104,113 1.013,114 -3.76,115 -3.72,116 -3.54,117 36.8,118 2,120 1,121 1,130 2,131 1,132 4,133 1,135 1,137 1,146 2,147 2,148 2,152 4,153 1,154 3,156 3,157 3,160 6,163 2,164 5,166 1,167 1,171 5,174 4,176 1,177 1,178 1,181 2,182 3,186 1,187 1,188 6,190 1,191 1,193 2,195 1,198 2,200 4,205 2,207 2,210 2,212 6,217 5,222 5,223 2,226 1,227 1,229 2,235 2,242 3,246 3,247 567,248 13.593,249 13.593,250 13.593,251 13.593,252 13.593,253 12.012,254 19.189,255 7.8,256 14.242,257 10.744,258 10.744,259 10.744,260 10.744,261 10.744,262 8.317,263 22.658,264 3.588,265 11.823,266 3.494,267 1.546,268 0.849,269 0.691,270 0.691,271 0.691,272 3.755,274 1,275 1,276 361,277 2.915,280 141.588,284 1.12,285 19.093,287 1,288 1,289 1,290 1,291 1,292 1,293 1,294 1,295 45.4,296 178,297 4.435,298 3.408,299 6.507,300 4.045,301 3.096,302 4.104,303 0.86,304 10.185,305 2.944,306 4.211,307 3.094,308 6.06,309 3.758,310 2.829,311 3.863,312 0.86,313 8.719,314 2.624,315 3.797,316 2.889,317 5.884,318 3.422,319 2.522,320 3.15,322 7.966,323 2.177,324 3.464,325 2.419,326 5.041,327 3.059,328 2.15,329 2.767,331 5.972,332 1.948,333 3.161,334 2.167,335 4.868,336 2.816,337 1.876,338 2.348,340 5.319,341 1.756,342 2.825,343 1.946,344 4.178,345 2.341,346 1.441,347 1.953,349 3.72,350 1.296,351 2.577,352 1.543,353 4.089,354 2.24,355 1.351,356 1.588,358 3.379,359 1.052,360 1.904,361 1.09,362 3.328,363 1.606,364 0.744,365 0.835,367 1.604,368 0.586,369 1.551,370 0.68,371 2.885,372 1.197,373 0.325,374 0.384,376 0.679,377 0.277,378 1.102,379 0.422,380 2.622,381 0.746,382 -0.103,383 -0.118,385 -0.188,386 -0.041,387 0.847,388 -0.045,389 2.359,390 0.395,391 -0.464,392 -0.57,394 -1.222,395 -0.256,396 0.791,397 -0.314,398 2.307,399 0.36,400 -0.516,401 -0.621,403 -1.245,404 -0.466,405 0.431,406 -0.563,407 2,408 0.046,409 -0.884,410 -1,412 -2,413 -0.814,414 0.086,415 -0.756,416 1.654,418 -1,419 -1.108,421 -2.438,422 -0.826,424 -1,425 1.391,426 -0.292,427 -1.133,428 -1.329,429 -3.043,430 -1,431 10.91,432 0.52,433 0.668,434 0.032,435 27.5,436 1.31,437 14,438 0.667,439 13.5,440 0.643,441 18.81,442 0.896,443 22.69,444 0.597,445 17.234,446 0.821,447 5.046,448 0.24,449 4.872,450 0.232,451 0.361,453 0.367,454 1.042,455 1.221,456 0.484,457 0.629,458 1.272,459 0.829,460 0.991,461 0.764,462 0.561,463 0.588,464 0.59,465 0.668,466 1.127,467 1.034,468 0.964,469 0.998,470 0.838,471 0.958,472 1.101,473 1.041,474 0.877,475 0.983,476 0.881,477 1.071,478 1.032,479 0.951,480 1.099,481 1.055,482 0.953,483 1.07,484 1.159,485 1.068,486 1.106,487 0.981,488 0.937,489 0.98,490 0.913,491 1.679,492 2.389,493 2.266,494 1.032,495 1.655,496 0.824,497 0.588,498 0.792,499 0.717,500 1.197,501 0.788,502 5.5,503 0.029,504 2.889,505 1.688,506 1.618,507 0.924,508 0.568,509 0.339,510 0.209,511 0.061,512 3642,513 12032,514 1.915,515 44.7,516 7,517 5,519 1,520 4,524 1.637,525 1.726,526 3.036,527 1.968,528 1,529 1,531 1,532 66.631,533 1.753,534 3.702,535 4.399,536 4.557,537 4.557,538 4.557,539 2.392,540 4.297,541 4.364,542 3.148,543 661.077,544 7.504,545 6933.24,546 1,548 1,549 199.421,550 1.575,551 4.277,552 0.25,553 0.014,554 0.093,555 0.051,556 0.056,557 0.036,558 0.022,559 0.017,560 0.017,561 0.008,562 0.564,563 0.17,564 1,565 1.049,566 93.614,567 -0.133,568 -0.055,569 -0.004,570 0.005,571 -0.288,572 0.023,573 0.093,574 0.268,575 0.041,576 0.136,577 0.279,578 0.234,579 0.058,580 0.028,581 -0.005,582 -0.03,583 0.071,584 -0.021,585 -0.055,586 -0.058,587 0.001,588 -0.063,589 0.003,590 -0.106,591 0.015,592 0.003,593 -0.07,594 -0.032,595 -0.053,596 -0.077,597 -0.173,598 -0.093,600 0.097,601 -0.095,602 0.028,603 -0.119,604 -0.597,605 -0.211,606 -0.463,607 -0.118,608 -0.5,609 0.08,610 0.296,611 -0.01,612 0.1,613 -0.043,614 0.152,615 1.548,616 2.371,617 0.571,618 14.952,619 1.008,620 1.133,621 2.526,622 6.38,623 0.708,624 3.135,625 3.466,626 3.689,627 3.892,628 4.111,629 4.143,630 4.043,631 4.025,632 4.025,633 3.85,634 4.981,635 0.645,636 400.25,637 3.135,638 4.673,639 5.509,640 6.385,641 7.245,642 8.124,643 8.99,644 9.87,645 10.74,646 11.619,647 10.5,649 2,655 2,659 3,660 2,664 7,666 12,669 2,673 2,674 1,675 38,676 12,677 1,678 22,679 39,680 14,681 10,682 4,683 2,685 2,686 2,688 2,692 10,693 4,694 1,704 1,705 17,706 6,707 4,708 7,709 1,710 1,712 4,714 1,715 2,725 1,728 2,739 2,742 3,743 1,744 21,745 2,752 2,754 1,759 1,760 5.3,764 2,767 12.167,768 7.626,769 4.694,770 2.065,773 2.305,774 1.362,775 0.959,776 5.235,777 8.67,778 3.367,779 3.989,780 4.527,781 5.042,782 5.58,783 5.716,784 5.83,785 6.129,786 6.448,787 6.668,788 0.833,789 33,790 7.679,791 3.094,792 7.791,793 14.441,794 11.111,795 2.291,796 48.12,799 153.024,800 138.118,801 99.365,802 22,803 56.782,804 81.336,805 175.024,806 99.365,807 28.533,809 84.747,810 45.342,811 51.623,812 4.227,813 198.035,815 153.024,816 180.701,817 22,819 56.782,820 153.024,821 22,823 28.597,824 118.533,825 33.571,826 56.782,827 153.024,828 121.365,829 81.336,830 56.782,832 153.024,833 24.803,834 113.315,836 121.365,837 153.024,838 121.365,839 81.336,840 56.782,841 0.588,842 0.344,843 0.177,844 0.099,845 14,846 8,847 0.103,848 4,850 1,851 3.142,852 156.307,854 12,855 90.239,860 16.257,861 6.763,862 3.75,864 121.365,865 5.347,866 7.795,870 4.194,872 65.794,873 412.507,874 28,883 38.316,884 43.039,885 0.334,886 0.706,887 0.838,888 0.868,889 0.868,890 0.868,891 4.605,892 0.744,893 5.525,894 3.379,895 4.143,896 4.673,897 1.376,898 6.34,899 3.964,900 5.836,901 0.325,902 7.102,903 1.604,904 3.892,905 4.62,907 7.265,908 3.617,909 7.158,910 -0.103,911 8.774,912 0.679,913 5.753,914 6.886,915 1.159,916 10.317,917 5.445,918 8.512,919 -0.464,920 10.497,921 -0.188,922 6.236,923 7.556,925 11.992,926 5.843,927 9.892,928 -0.516,929 12.251,930 -1.222,931 7.634,932 9.365,933 0.963,934 14.582,935 7.212,936 11.29,937 -0.884,938 14.026,939 -1.245,940 8.447,941 10.371,943 16.586,944 7.954,945 12.702,946 -1,947 15.816,948 -2,949 9.665,950 11.98,951 0.787,952 18.999,953 9.139,954 3.096,955 -1.133,956 17.618,957 -2.438,958 10.633,959 13.162,961 21.159,962 10.047,963 2.829,964 10.185,965 19.428,966 -3.043,967 11.779,968 14.67,969 0.634,970 23.502,971 11.157,972 2.522,973 8.719,974 21.245,975 4.104,976 12.819,977 15.947,979 25.736,980 12.145,981 2.15,982 7.966,983 23.068,984 3.863,985 13.938,986 17.403,987 0.504,988 28.054,989 13.225,990 1.876,991 5.972,992 24.896,993 3.15,994 15.015,995 18.732,997 30.326,998 14.252,999 1.441,1000 5.319,1001 26.728,1002 2.767,1003 16.126,1004 20.161,1005 0.395,1006 32.635,1007 15.322,1008 1.351,1009 3.72,1010 28.563,1011 2.348,1012 17.22,1013 21.519,1015 34.927,1016 16.369,1017 3803,1018 7043,1019 13.641,1020 26.921,1021 32.94,1022 33.67,1023 34.952,1024 32.852,1025 32.669,1026 41.983,1027 3.44,1028 95.086,1029 29.32,1030 5.222,1031 5.408,1032 6.028,1033 5.119,1034 5.096,1035 7.104,1036 1.72,1037 16.998,1038 4.944,1039 13.6,1040 1.497,1041 1.53,1042 1.589,1043 1.493,1044 1.485,1045 1.908,1046 0.156,1047 4.322,1048 1.333,1049 3.979,1050 3.998,1051 10.695,1052 4.036,1053 5.307,1054 3.913,1055 3.813,1056 3.865,1057 3.905,1058 3.649,1059 4.988,1060 3.664,1061 3.513,1062 3.572,1063 3.759,1064 3.553,1065 4.869,1066 3.381,1067 3.243,1068 3.305,1069 3.309,1070 3.129,1071 4.596,1072 2.979,1073 3.098,1074 3.211,1075 3.102,1076 2.96,1077 4.375,1078 2.828,1079 2.923,1080 3.028,1081 2.941,1082 2.777,1083 4.141,1084 2.702,1085 2.874,1086 3.009,1087 2.766,1088 2.625,1089 3.95,1090 2.635,1091 2.78,1092 2.847,1093 2.588,1094 2.618,1095 3.738,1096 2.57,1097 0.202,1098 0.155,1099 0.296,1100 0.184,1101 0.141,1102 4.435,1103 0.187,1104 3.408,1105 0.039,1106 6.507,1107 0.463,1108 4.045,1109 0.134,1110 3.096,1111 4.104,1112 0.86,1113 10.185,1114 2.944,1115 1.927,1116 1.913,1117 2.023,1118 2.027,1119 1.256,1120 2.025,1121 1.718,1122 1.671,1123 1.801,1124 1.929,1125 0.904,1126 1.902,1127 1.523,1128 1.467,1129 1.726,1130 1.694,1131 0.722,1132 1.723,1133 1.181,1134 1.109,1135 1.548,1136 1.487,1137 0.568,1138 1.507,1139 0.986,1140 0.892,1141 1.417,1142 1.375,1143 0.469,1144 1.358,1145 0.934,1146 0.804,1147 1.267,1148 1.239,1149 0.164,1150 1.308,1151 0.827,1152 0.749,1153 1.139,1154 1.193,1155 0.002,1156 1.187,1157 0.797,1158 0.714,1159 1.057,1160 0.977,1162 1.01,1163 3.807,1165 5.13,1167 6.648,1169 8.258,1171 9.915,1172 5.808,1173 2.195,1174 11.292,1179 11.222,1181 0.266,1184 24.52,1185 66.631,1186 140.692,1187 167.157,1188 173.157,1189 173.157,1190 173.157,1191 34.33,1192 6.365,1193 96.28,1194 96.28,1195 12,1196 12.157,1197 3.7,1198 2.807,1199 39.05,1200 61,1201 64,1202 0.318,1203 165.467,1204 275.26,1205 395.498,1206 3862,1207 2.6,1208 15.569,1209 0.741,1210 0.677,1211 17.069,1212 14.21,1213 9.918,1214 0.451,1215 0.338,1216 6.299,1217 8.776,1218 5.975,1219 5.049,1220 10.784,1221 7.431,1222 9.176,1223 0.296,1224 0.191,1225 10.289,1226 5.921,1227 7.255,1228 0.186,1229 0.097,1230 8.316,1231 3.771,1232 5.743,1233 0.12,1234 0.052,1235 6.755,1236 2.501,1237 4.411,1238 0.074,1239 0.026,1240 5.053,1241 1.571,1242 0.482,1243 76.447,1244 0.271,1245 20.447,1246 0.925,1247 106,1248 339.034,1249 268.045,1250 366.124,1251 489.05,1252 340,1253 123,1254 337.099,1255 196.711,1256 355.487,1257 516.44,1258 331,1259 5}
{0 CHEMBL599760,1 1.621,2 13.133,3 2.518,4 6.342,5 120.133,6 7.467,7 0.455,8 4.135,9 4.264,10 3.749,11 3.679,12 5.173,13 3.631,14 4.705,15 4.903,16 4.152,17 4.084,18 5.701,19 4.017,20 4.938,21 5.153,22 4.208,23 4.224,24 5.917,25 4.124,26 5.022,27 5.255,28 4.063,29 4.231,30 5.972,31 4.101,32 5.018,33 5.266,34 4.058,35 4.197,36 5.982,37 4.05,38 4.944,39 5.202,40 3.979,41 4.134,42 5.852,43 3.969,44 4.835,45 5.081,46 3.838,47 3.979,48 5.827,49 3.84,50 4.666,51 4.879,52 3.782,53 3.885,54 5.756,55 3.757,56 0.038,57 0.892,58 12.664,59 5.335,60 7.534,61 7.059,62 0.297,63 1.463,64 25.933,65 8.418,66 24.698,67 11.808,68 0.43,69 1.729,70 35.666,71 11.05,72 43.338,73 15.051,74 0.322,75 1.74,76 39.139,77 13.333,78 49.822,79 17.732,80 0.57,81 1.704,82 38.722,83 12.903,84 64.901,85 17.395,86 0.388,87 1.629,88 40.915,89 13.03,90 41.753,91 17.153,92 0.38,93 1.383,94 33.312,95 10.616,96 59.097,97 13.939,98 0.415,99 1.232,100 29.689,101 9.4,102 53.439,103 11.778,104 27,105 47,106 0.265,107 0.577,108 0.742,109 0.818,110 0.826,111 0.826,112 3.44,113 1.004,114 -3.28,115 -3.27,116 -3.13,117 38.6,118 2,121 1,122 5,124 1,130 6,131 2,134 1,139 1,140 1,142 2,149 1,152 7,153 1,154 6,157 1,159 1,160 9,163 1,164 9,167 1,169 2,171 6,174 6,179 1,182 5,187 3,188 4,191 1,195 7,199 1,200 5,203 2,205 1,207 4,212 4,217 2,220 1,223 2,224 4,227 1,229 3,232 2,236 1,237 4,242 1,244 2,247 1522,248 20.016,249 20.016,250 20.016,251 20.016,252 20.016,253 18.009,254 20.113,255 11.694,256 20.487,257 16.288,258 16.288,259 16.288,260 16.288,261 16.288,262 13.173,263 25.48,264 5.578,265 17.083,266 4.212,267 2.299,268 1.294,269 0.825,270 0.777,271 0.777,272 4.132,274 1,275 1,276 855,277 3.873,279 150.837,280 208.567,281 123.419,284 2.009,285 25.977,287 1,288 1,289 1,290 0.8,291 0.5,292 1,293 1,294 0.9,295 64.5,296 394,297 4.726,298 3.67,299 6.87,300 4.237,301 3.289,302 4.706,303 1.94,304 11.491,305 3.127,306 4.093,307 3.591,308 6.089,309 3.764,310 2.813,311 3.617,312 1.058,313 8.823,314 2.676,315 3.915,316 3.242,317 5.931,318 3.709,319 2.748,320 3.309,321 0.8,322 8.248,323 2.622,324 3.867,325 2.895,326 5.857,327 3.488,328 2.531,329 3.048,330 0.555,331 7.935,332 2.417,333 3.54,334 2.571,335 5.442,336 3.362,337 2.407,338 2.64,340 7.182,341 2.287,342 3.297,343 2.327,344 5.052,345 2.954,346 2.007,347 2.583,349 5.655,350 1.896,351 3.18,352 2.082,353 4.816,354 2.805,355 1.835,356 2.358,358 5.263,359 1.771,360 2.953,361 2.024,362 4.469,363 2.588,364 1.61,365 2.007,367 4.272,368 1.566,369 2.67,370 1.803,371 3.911,372 2.238,373 1.245,374 1.723,376 2.995,377 1.219,378 2.5,379 1.377,380 3.743,381 2.115,382 1.167,383 1.5,385 2.835,386 1.086,387 2.499,388 1.146,389 3.65,390 2,391 1,392 1.433,394 2.575,395 1,396 2.4,397 1.103,398 3.414,399 1.967,400 1,401 1.284,403 2.275,404 0.965,405 2,406 1,407 3.337,408 1.889,409 0.924,410 1,412 2.136,413 0.873,414 1.918,415 0.538,416 3.247,417 1.372,418 0.485,419 0.68,421 1.359,422 0.421,423 1.089,424 0.527,425 2.803,426 0.944,427 -0.022,428 -0.023,429 -0.055,430 -0.021,431 14.5,432 0.483,433 0.839,434 0.028,435 34.75,436 1.158,437 15,438 0.5,439 19.75,440 0.658,441 29.429,442 0.981,443 32.9,444 0.577,445 25.907,446 0.864,447 6.781,448 0.226,449 7.638,450 0.255,451 0.149,453 0.359,454 0.683,455 1.398,456 0.769,457 1.063,458 0.539,459 1.009,460 0.866,461 1.09,462 0.809,463 0.832,464 0.505,465 0.822,466 1.146,467 0.992,468 1.031,469 0.992,470 1.002,471 0.98,472 1.088,473 1.11,474 1.08,475 1.106,476 1.135,477 1.057,478 1.058,479 0.907,480 0.963,481 0.889,482 1.247,483 0.963,484 0.721,485 0.996,486 1.235,487 1.203,488 0.6,489 1.014,490 1.45,491 0.956,492 1.084,493 0.95,494 1.605,495 0.964,496 1.364,497 1.062,498 1.401,499 1.214,500 1.553,501 1.098,502 6.5,503 0.166,504 3.556,505 2.424,506 1.758,507 1.081,508 0.786,509 0.428,510 0.26,511 0.266,512 12849,513 32629,514 2.067,515 47.4,517 20,520 1,521 3,522 3,524 1.724,525 1.915,526 3.662,527 -0.316,529 1,532 92.376,533 1.621,534 3.533,535 4.539,536 5.008,537 5.056,538 5.056,539 3.127,540 4.44,541 4.876,542 3.842,543 1671.35,544 8.485,545 23895,546 1,549 332.475,550 1.475,551 4.828,552 0.197,553 0.007,554 0.076,555 0.053,556 0.042,557 0.028,558 0.022,559 0.014,560 0.009,561 0.011,562 0.456,563 0.33,564 1,565 0.758,566 156.424,567 0.038,568 -0.176,569 0.081,570 -0.034,571 -0.023,572 -0.012,573 0.043,574 0.06,575 0.142,576 0.144,577 0.088,578 0.134,579 -0.099,580 0.094,581 -0.01,582 0.013,583 -0.071,584 -0.018,585 -0.095,586 -0.13,587 -0.075,588 -0.09,589 -0.057,590 -0.062,591 0.028,592 0.054,593 0.022,594 0.083,595 -0.082,596 0.013,597 0.092,598 0.005,599 -0.024,600 -0.07,601 0.083,602 0.008,603 -0.192,604 -0.006,605 -0.039,606 0.043,607 -0.16,608 0.005,609 -0.055,610 -0.026,611 -0.201,612 -0.103,613 -0.068,614 -0.119,615 1.718,616 5.863,617 0.667,618 32.48,619 0.999,620 1.13,621 2.05,622 4.202,623 0.666,624 3.526,625 3.871,626 4.143,627 4.419,628 4.625,629 4.745,630 4.86,631 4.913,632 4.92,633 4.977,634 7.599,635 0.623,636 425.61,637 3.526,638 5.081,639 5.938,640 6.825,641 7.704,642 8.599,643 9.489,644 10.389,645 11.286,646 12.191,647 8.8,648 1,652 2,653 1,655 1,658 2,659 6,660 1,663 1,664 3,665 1,666 15,667 1,675 57,676 17,677 1,678 33,679 60,680 22,681 11,682 1,683 5,684 1,685 4,686 5,688 2,691 1,692 13,693 9,695 2,698 2,702 2,704 1,705 27,706 6,707 1,708 8,709 1,712 5,714 0.75,715 2,724 1,727 2,728 2,729 1,733 1,736 1,739 3,741 1,742 3,744 30,749 5,751 1,754 1,755 2,758 1,760 3.5,762 2,767 15.667,768 11.133,769 6.5,770 3.48,773 2.893,774 1.373,775 0.981,776 6.325,777 10.655,778 3.773,779 4.363,780 4.947,781 5.566,782 6.068,783 6.501,784 6.936,785 7.235,786 7.54,787 7.773,788 0.889,789 46,790 11.143,791 4.736,792 7.694,793 21.56,794 17.896,795 2.194,796 65.833,798 1,799 306.049,800 144.31,801 42.699,802 50.29,803 31.278,804 113.033,805 356.339,806 42.699,807 26.047,808 31.664,809 56.857,810 76.362,811 13.733,812 1.358,813 337.326,815 306.049,816 155.732,817 50.29,818 31.278,820 270.735,821 85.603,823 57.289,824 81.78,825 16.663,826 31.278,827 306.049,828 92.989,829 144.31,832 306.049,833 61.406,834 90.929,835 18.011,836 66.953,837 306.049,838 92.989,839 144.31,841 0.589,842 0.34,843 0.181,844 0.099,845 23,846 11,847 0.083,848 5,849 1,850 1.1,851 4.184,852 264.284,853 0.1,854 20,855 139.207,857 1,860 21.165,861 8.965,862 4.664,863 1.999,864 91.212,865 11.988,866 4.638,869 1.47,870 2.647,871 1.844,872 18.011,873 543.348,874 42.5,877 24.329,881 0.079,883 56.96,884 64.398,885 0.278,886 0.606,887 0.778,888 0.859,889 0.867,890 0.867,891 5.029,892 1.61,893 5.938,894 5.263,895 4.554,896 5.05,897 2.388,898 6.763,899 4.46,900 6.234,901 1.245,902 7.508,903 4.272,904 4.205,905 4.924,906 1.738,907 7.681,908 4.066,909 7.544,910 1.167,911 9.177,912 2.995,913 6.163,914 7.247,915 3.11,916 10.791,917 5.97,918 8.889,919 1,920 10.903,921 2.835,922 6.621,923 8.009,924 3.144,925 12.559,926 6.375,927 10.271,928 1,929 12.667,930 2.575,931 8.072,932 9.837,933 4.18,934 15.196,935 7.779,936 11.68,937 0.924,938 14.456,939 2.275,940 8.897,941 11.022,942 4.541,943 17.333,944 8.548,945 13.112,946 0.485,947 16.266,948 2.136,949 10.153,950 12.666,951 5.397,952 19.819,953 9.76,954 3.289,955 -0.022,956 18.09,957 1.359,958 11.154,959 14.052,960 5.912,961 22.124,962 10.704,963 2.813,964 11.491,965 19.928,966 -0.055,967 12.339,968 15.628,969 6.674,970 24.566,971 11.844,972 2.748,973 8.823,974 21.777,975 4.706,976 13.425,977 17.104,978 7.263,979 26.945,980 12.875,981 2.531,982 8.248,983 23.635,984 3.617,985 14.589,986 18.658,987 7.977,988 29.379,989 13.992,990 2.407,991 7.935,992 25.501,993 3.309,994 15.718,995 20.173,996 8.602,997 31.791,998 15.067,999 2.007,1000 7.182,1001 27.374,1002 3.048,1003 16.881,1004 21.721,1005 9.292,1006 34.225,1007 16.181,1008 1.835,1009 5.655,1010 29.253,1011 2.64,1012 18.033,1013 23.254,1014 9.936,1015 36.652,1016 17.281,1017 12238,1018 19654,1019 21.789,1020 37.961,1021 51.057,1022 51.691,1023 51.897,1024 50.08,1025 50.123,1026 63.777,1027 8.708,1028 146.088,1029 47.856,1030 5.726,1031 5.67,1032 6.672,1033 5.395,1034 5.289,1035 7.706,1036 3.348,1037 18.804,1038 5.127,1039 16.278,1040 1.547,1041 1.566,1042 1.573,1043 1.518,1044 1.519,1045 1.933,1046 0.264,1047 4.427,1048 1.45,1049 4.146,1050 4.171,1051 4.372,1052 4.106,1053 7.431,1054 4.073,1055 3.881,1056 3.952,1057 3.819,1058 3.789,1059 7.427,1060 3.767,1061 3.829,1062 3.857,1063 3.778,1064 3.675,1065 5.015,1066 3.689,1067 3.654,1068 3.719,1069 3.56,1070 3.447,1071 4.687,1072 3.46,1073 3.441,1074 3.494,1075 3.402,1076 3.218,1077 4.39,1078 3.236,1079 3.34,1080 3.408,1081 3.244,1082 3.149,1083 4.208,1084 3.144,1085 3.111,1086 3.206,1087 2.995,1088 2.941,1089 4.102,1090 2.91,1091 3.094,1092 3.161,1093 2.932,1094 2.924,1095 3.78,1096 2.907,1097 0.143,1098 0.111,1099 0.208,1100 0.128,1101 0.1,1102 4.726,1103 0.143,1104 3.67,1105 0.059,1106 6.87,1107 0.348,1108 4.237,1109 0.095,1110 3.289,1111 4.706,1112 1.94,1113 11.491,1114 3.127,1115 1.917,1116 1.893,1117 2.026,1118 2.04,1119 1.326,1120 2.036,1121 1.811,1122 1.744,1123 2.01,1124 1.99,1125 1.12,1126 2.002,1127 1.644,1128 1.606,1129 1.848,1130 1.855,1131 1.094,1132 1.854,1133 1.584,1134 1.553,1135 1.717,1136 1.794,1137 0.876,1138 1.784,1139 1.508,1140 1.462,1141 1.663,1142 1.656,1143 0.825,1144 1.657,1145 1.356,1146 1.29,1147 1.629,1148 1.59,1149 0.762,1150 1.61,1151 1.247,1152 1.203,1153 1.513,1154 1.403,1155 0.711,1156 1.429,1157 1.153,1158 1.064,1159 1.347,1160 1.376,1161 0.524,1162 1.408,1163 4.205,1165 5.541,1166 3.045,1167 7.055,1168 5.476,1169 8.65,1170 7.636,1171 10.293,1172 5.554,1176 3.964,1178 3.127,1181 0.026,1182 4.169,1184 35.518,1185 92.376,1186 201.407,1187 258.726,1188 285.455,1189 288.21,1190 288.21,1191 53.912,1192 7.762,1193 70.47,1194 98.71,1195 22,1196 12.712,1197 4.17,1198 3.392,1199 47.327,1200 137,1201 138,1202 0.167,1203 221.904,1204 376.99,1205 533.206,1206 26642,1208 21.25,1209 0.708,1210 0.614,1211 21.604,1212 18.407,1213 14.419,1214 0.437,1215 0.335,1216 10.15,1217 13.415,1218 9.743,1219 8.079,1220 14.827,1221 11.044,1222 13.413,1223 0.285,1224 0.189,1225 14.029,1226 8.88,1227 11.029,1228 0.178,1229 0.108,1230 11.953,1231 6.71,1232 9.222,1233 0.112,1234 0.06,1235 10.093,1236 4.91,1237 7.187,1238 0.071,1239 0.034,1240 8.048,1241 3.398,1242 0.269,1243 94.413,1244 0.214,1245 28.741,1246 0.442,1247 160,1248 445.245,1249 201.293,1250 450.526,1251 616.99,1252 422,1253 189,1254 440.731,1255 231.17,1256 460.753,1257 676.43,1258 433,1259 5}
{0 CHEMBL605325,1 1.523,2 13.938,3 3.446,4 11.871,5 124.151,6 7.01,7 0.486,8 4.214,9 4.347,10 3.734,11 3.699,12 5.252,13 3.679,14 4.777,15 4.981,16 4.07,17 4.072,18 5.77,19 4.027,20 5.026,21 5.268,22 4.106,23 4.2,24 5.962,25 4.119,26 5.094,27 5.347,28 4.097,29 4.19,30 6.046,31 4.113,32 5.057,33 5.287,34 4.038,35 4.195,36 6.045,37 4.113,38 5.066,39 5.304,40 3.977,41 4.201,42 5.994,43 4.088,44 5.06,45 5.322,46 3.886,47 4.131,48 6.006,49 4.014,50 4.955,51 5.199,52 3.843,53 4.092,54 5.885,55 3.97,56 0.02,57 0.949,58 13.775,59 5.29,60 9.104,61 7.619,62 0.357,63 1.491,64 26.391,65 8.443,66 30.011,67 12.698,68 0.506,69 1.742,70 35.125,71 10.833,72 47.586,73 16.586,74 0.509,75 1.76,76 38.499,77 11.088,78 56.196,79 16.986,80 0.619,81 1.71,82 36.923,83 10.906,84 64.624,85 15.991,86 0.474,87 1.692,88 36.973,89 12.203,90 50.869,91 17.738,92 0.502,93 1.638,94 37.472,95 11.259,96 67.123,97 16.938,98 0.458,99 1.513,100 33.126,101 11.13,102 55.577,103 16.15,104 12,105 47,106 0.245,107 0.563,108 0.737,109 0.822,110 0.829,111 0.829,112 3.502,113 0.963,114 -3.96,115 -3.92,116 -3.71,117 38.7,118 2,119 2,122 5,124 1,130 6,131 1,133 2,134 1,137 1,139 1,142 1,145 1,152 8,153 4,154 5,157 1,159 1,160 7,163 2,164 7,167 2,171 3,173 1,174 9,177 1,179 1,182 1,187 3,188 6,193 2,195 3,199 1,200 5,203 1,205 3,207 6,211 1,212 4,217 2,220 7,223 1,224 5,227 2,229 1,232 6,236 1,237 3,244 3,247 1864,248 22.007,249 22.007,250 22.007,251 22.007,252 22.007,253 19.907,254 22.801,255 13.406,256 22.452,257 17.296,258 17.296,259 17.296,260 17.296,261 17.296,262 14.138,263 31.208,264 6.338,265 18.013,266 4.432,267 2.453,268 1.371,269 0.843,270 0.799,271 0.799,272 4.199,274 1,275 1,276 968,277 3.674,279 102.907,280 367.516,284 2.133,285 27.793,287 1,288 1,289 1,290 1,291 0.5,292 1,293 1,294 0.93,295 69,296 446,297 4.482,298 3.616,299 6.555,300 4.107,301 3.122,302 4.172,303 1.058,304 10.397,305 3.074,306 4.082,307 3.144,308 6.143,309 3.786,310 2.875,311 3.55,312 0.8,313 9.057,314 2.66,315 4.01,316 2.967,317 6.035,318 3.67,319 2.684,320 3.514,321 0.8,322 8.63,323 2.612,324 3.637,325 2.794,326 5.492,327 3.473,328 2.531,329 2.786,331 7.391,332 2.377,333 3.444,334 2.554,335 5.147,336 3.147,337 2.193,338 2.599,340 6.192,341 2.085,342 3.183,343 2.206,344 4.704,345 2.857,346 1.883,347 2.375,349 5.007,350 1.827,351 3.115,352 1.911,353 4.415,354 2.73,355 1.74,356 2.276,358 4.391,359 1.723,360 2.898,361 1.794,362 4.394,363 2.666,364 1.712,365 1.937,367 4.291,368 1.625,369 2.599,370 1.433,371 3.778,372 2.213,373 1.214,374 1.63,376 2.782,377 1.21,378 2.5,379 1.244,380 3.5,381 2.093,382 1.145,383 1.5,385 2.68,386 1.081,387 2.5,388 1.146,389 3.478,390 2,391 1,392 1.5,394 2.275,395 1,396 2.455,397 1.02,398 3.414,399 1.967,400 1,401 1.445,403 2.229,404 0.965,405 2.294,406 1,407 3.247,408 1.917,409 1,410 1.147,412 2.136,413 0.916,414 2.054,415 1,416 3.247,417 1.889,418 0.896,419 1,421 2.136,422 0.888,423 2,424 0.876,425 3.11,426 1.747,427 0.771,428 0.99,429 1.571,430 0.747,431 15.067,432 0.471,433 0.623,434 0.019,435 39.75,436 1.242,437 18,438 0.563,439 21.75,440 0.68,441 29.593,442 0.925,443 35.333,444 0.57,445 29.384,446 0.918,447 7.688,448 0.24,449 7.947,450 0.248,451 0.088,453 0.285,454 0.826,455 1.604,456 0.831,457 1.268,458 0.615,459 1.08,460 0.892,461 1.124,462 0.919,463 1.019,464 0.587,465 0.969,466 0.915,467 1.044,468 0.946,469 0.989,470 0.783,471 0.964,472 1.334,473 0.993,474 0.979,475 0.914,476 1.133,477 0.895,478 1.681,479 0.893,480 1.222,481 0.939,482 1.878,483 1.009,484 1.298,485 1.06,486 1.112,487 1.098,488 1.251,489 1.097,490 1.396,491 0.918,492 1.116,493 0.955,494 2.01,495 0.992,496 1.188,497 0.992,498 1.091,499 1.063,500 1.496,501 1.081,502 5.5,503 0.166,504 3.111,505 1.944,506 1.429,507 1.178,508 0.674,509 0.434,510 0.296,511 0.215,512 15832,513 37974,514 2.101,515 48.4,516 5,517 17,519 2,520 1,521 2,522 3,524 1.742,525 2,526 3.746,527 -0.341,529 1,532 94.405,533 1.523,534 3.501,535 4.583,536 5.111,537 5.156,538 5.156,539 3.215,540 4.328,541 4.97,542 3.929,543 1948.62,544 8.679,545 29751.7,546 1,549 369.16,550 1.259,551 4.947,552 0.157,553 0.006,554 0.066,555 0.041,556 0.031,557 0.027,558 0.017,559 0.012,560 0.008,561 0.007,562 0.374,563 0.33,564 1,565 0.789,566 171.095,567 -0.011,568 -0.339,569 0.073,570 -0.143,571 0.003,572 -0.042,573 0.127,574 0.031,575 0.049,576 -0.02,577 0.122,578 0.001,579 0.113,580 -0.002,581 0.04,582 -0.016,583 0.094,584 0.004,585 -0.073,586 -0.005,587 0.041,588 0.028,589 0.027,590 0.052,591 -0.221,592 0.128,593 -0.195,594 0.016,595 -0.253,596 -0.071,597 -0.094,598 -0.095,599 -0.116,600 -0.094,601 -0.055,602 -0.112,603 -0.176,604 0.034,605 -0.102,606 -0.002,607 -0.211,608 -0.034,609 -0.05,610 -0.033,611 -0.101,612 -0.057,613 -0.119,614 -0.09,615 1.869,616 5.986,617 0.719,618 38.109,619 0.998,620 1.135,621 2.732,622 7.463,623 0.646,624 3.584,625 3.871,626 4.127,627 4.382,628 4.564,629 4.605,630 4.7,631 4.745,632 4.754,633 4.779,634 8.085,635 0.611,636 434.6,637 3.584,638 5.106,639 5.943,640 6.806,641 7.661,642 8.531,643 9.394,644 10.267,645 11.134,646 12.01,647 9.7,648 1,651 1,652 1,655 3,659 8,660 3,662 1,664 5,666 17,667 1,671 1,675 62,676 18,677 1,678 35,679 65,680 24,681 13,682 1,683 5,684 1,685 4,686 4,688 2,691 3,692 14,693 10,695 1,698 1,702 1,704 1,705 30,706 8,707 1,708 8,712 6,714 1,715 2,719 1,725 1,727 1,728 3,736 1,739 4,742 2,744 32,749 7,751 1,754 1,755 2,760 3.2,762 1,764 1,767 16,768 11.583,769 7.194,770 4.05,773 2.664,774 1.348,775 0.966,776 7.512,777 10.321,778 3.818,779 4.334,780 4.863,781 5.395,782 5.81,783 5.974,784 6.277,785 6.519,786 6.749,787 6.88,788 1,789 47,790 11.872,791 4.952,792 7.62,793 22.991,794 18.623,795 2.12,796 67.833,798 1,799 341.362,800 131.215,801 74.616,802 34.652,804 131.215,805 376.014,806 74.616,807 17.65,808 33.608,809 56.857,810 108.768,811 39.793,812 7.348,813 317.82,815 341.362,816 205.831,817 34.652,820 306.049,821 69.966,823 82.154,824 73.321,825 50.357,827 341.362,828 109.268,829 131.215,832 341.362,833 38.612,834 98.851,835 18.011,836 85.009,837 341.362,838 109.268,839 131.215,841 0.566,842 0.329,843 0.186,844 0.102,845 21,846 9,847 0.123,848 8,850 1,851 4.44,852 280.659,854 23,855 148,860 22.441,861 10.711,862 5.743,864 109.268,865 15.055,866 13.259,868 5.912,870 3.177,872 18.011,873 581.845,874 44.5,877 12.986,881 -0.202,883 61.869,884 70.391,885 0.256,886 0.588,887 0.77,888 0.858,889 0.866,890 0.866,891 5.039,892 1.712,893 5.9,894 4.391,895 4.554,896 5.021,897 1.641,898 6.673,899 4.475,900 6.197,901 1.214,902 7.43,903 4.291,904 4.007,905 4.59,906 0.57,907 7.486,908 3.888,909 7.468,910 1.145,911 9.061,912 2.782,913 6.103,914 7.085,915 1.488,916 10.589,917 5.943,918 8.773,919 1,920 10.755,921 2.68,922 6.415,923 7.54,924 0.479,925 12.264,926 6.222,927 10.116,928 1,929 12.489,930 2.275,931 7.938,932 9.469,933 1.47,934 14.85,935 7.709,936 11.483,937 1,938 14.251,939 2.229,940 8.655,941 10.362,942 0.346,943 16.877,944 8.403,945 12.872,946 0.896,947 16.033,948 2.136,949 9.934,950 12.031,951 1.501,952 19.283,953 9.65,954 3.122,955 0.771,956 17.829,957 2.136,958 10.851,959 13.157,960 0.237,961 21.465,962 10.55,963 2.875,964 10.397,965 19.637,966 1.571,967 12.024,968 14.698,969 1.556,970 23.807,971 11.698,972 2.684,973 9.057,974 21.454,975 4.172,976 13.039,977 15.953,978 0.158,979 26.06,980 12.7,981 2.531,982 8.63,983 23.277,984 3.55,985 14.17,986 17.428,987 1.626,988 28.383,989 13.812,990 2.193,991 7.391,992 25.106,993 3.514,994 15.233,995 18.755,996 0.104,997 30.671,998 14.864,999 1.883,1000 6.192,1001 26.94,1002 2.786,1003 16.35,1004 20.199,1005 1.706,1006 32.99,1007 15.966,1008 1.74,1009 5.007,1010 28.778,1011 2.599,1012 17.439,1013 21.567,1014 0.068,1015 35.297,1016 17.045,1017 14932,1018 23295,1019 23.75,1020 40.08,1021 52.362,1022 52.614,1023 53.035,1024 51.578,1025 51.573,1026 64.885,1027 5.317,1028 142.432,1029 49.623,1030 5.482,1031 5.616,1032 6.357,1033 5.176,1034 5.122,1035 7.172,1036 2.117,1037 17.224,1038 5.074,1039 12.846,1040 1.496,1041 1.503,1042 1.515,1043 1.474,1044 1.474,1045 1.854,1046 0.152,1047 4.069,1048 1.418,1049 4.027,1050 4.053,1051 3.992,1052 3.898,1053 7.429,1054 3.911,1055 3.911,1056 3.973,1057 3.843,1058 3.723,1059 5.115,1060 3.741,1061 3.794,1062 3.835,1063 3.724,1064 3.664,1065 5.002,1066 3.678,1067 3.728,1068 3.787,1069 3.633,1070 3.558,1071 4.679,1072 3.567,1073 3.569,1074 3.643,1075 3.43,1076 3.388,1077 4.371,1078 3.385,1079 3.467,1080 3.531,1081 3.291,1082 3.283,1083 4.152,1084 3.279,1085 3.12,1086 3.206,1087 3.047,1088 2.941,1089 4.109,1090 2.913,1091 3.111,1092 3.169,1093 2.866,1094 2.883,1095 3.962,1096 2.91,1097 0.128,1098 0.103,1099 0.187,1100 0.117,1101 0.089,1102 4.482,1103 0.119,1104 3.616,1105 0.03,1106 6.555,1107 0.297,1108 4.107,1109 0.088,1110 3.122,1111 4.172,1112 1.058,1113 10.397,1114 3.074,1115 1.897,1116 1.872,1117 2.014,1118 2.058,1119 1.326,1120 2.047,1121 1.833,1122 1.767,1123 2.012,1124 1.984,1125 1.202,1126 1.994,1127 1.726,1128 1.68,1129 1.94,1130 1.923,1131 1.093,1132 1.915,1133 1.68,1134 1.62,1135 1.864,1136 1.86,1137 1.077,1138 1.875,1139 1.553,1140 1.484,1141 1.783,1142 1.771,1143 0.825,1144 1.781,1145 1.331,1146 1.296,1147 1.522,1148 1.564,1149 0.766,1150 1.546,1151 1.178,1152 1.139,1153 1.513,1154 1.418,1155 0.644,1156 1.429,1157 1.153,1158 1.064,1159 1.354,1160 1.376,1161 0.525,1162 1.392,1163 4.263,1165 5.557,1166 2.398,1167 7.043,1168 4.727,1169 8.612,1170 6.843,1171 10.224,1172 4.097,1176 5.919,1178 3.097,1181 -0.012,1182 4.545,1184 37.88,1185 94.405,1186 217.047,1187 284.166,1188 316.896,1189 319.65,1190 319.65,1191 55.441,1192 7.657,1193 87.39,1194 87.39,1195 23,1196 12.551,1197 4.248,1198 3.392,1199 52.092,1200 156,1201 156,1202 0.159,1203 233.825,1204 401.44,1205 562.292,1206 24504,1208 22.338,1209 0.698,1210 0.584,1211 22.338,1212 18.698,1213 15.635,1214 0.447,1215 0.321,1216 11.073,1217 14.995,1218 10.805,1219 9.003,1220 15.635,1221 11.24,1222 13.575,1223 0.289,1224 0.173,1225 13.575,1226 8.122,1227 11.211,1228 0.184,1229 0.091,1230 11.211,1231 5.528,1232 9.568,1233 0.121,1234 0.05,1235 9.568,1236 3.947,1237 7.409,1238 0.078,1239 0.028,1240 7.409,1241 2.645,1242 0.257,1243 98.118,1244 0.205,1245 30.501,1246 0.417,1247 164,1248 464.029,1249 182.744,1250 445.684,1251 616.71,1252 420,1253 190,1254 462.557,1255 210.603,1256 463.463,1257 680.96,1258 437,1259 5}