@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5112

@attribute molecule_id {CHEMBL12,CHEMBL130416,CHEMBL13280,CHEMBL145970,CHEMBL146075,CHEMBL146230,CHEMBL146302,CHEMBL146317,CHEMBL147312,CHEMBL147364,CHEMBL147379,CHEMBL147590,CHEMBL1522,CHEMBL174535,CHEMBL19732,CHEMBL20042,CHEMBL204738,CHEMBL286594,CHEMBL296335,CHEMBL343009,CHEMBL343471,CHEMBL344120,CHEMBL35571,CHEMBL356161,CHEMBL356806,CHEMBL358874,CHEMBL363211,CHEMBL373250,CHEMBL394710,CHEMBL443736,CHEMBL449393,CHEMBL45198,CHEMBL453066,CHEMBL453251,CHEMBL453324,CHEMBL45346,CHEMBL454095,CHEMBL454606,CHEMBL454865,CHEMBL454866,CHEMBL458144,CHEMBL458147,CHEMBL458316,CHEMBL458317,CHEMBL458319,CHEMBL458320,CHEMBL458321,CHEMBL459031,CHEMBL461511,CHEMBL461716,CHEMBL461717,CHEMBL461924,CHEMBL461925,CHEMBL471115,CHEMBL471977,CHEMBL471978,CHEMBL498936,CHEMBL499814,CHEMBL499964,CHEMBL505497,CHEMBL505768,CHEMBL509197,CHEMBL510658,CHEMBL510963,CHEMBL511684,CHEMBL511685,CHEMBL518197,CHEMBL52030,CHEMBL522055,CHEMBL58757,CHEMBL646,CHEMBL6597,CHEMBL661,CHEMBL73096,CHEMBL73416,CHEMBL911}
@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 Br.094 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.004 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.016 numeric
@attribute C.017 numeric
@attribute C.019 numeric
@attribute C.021 numeric
@attribute C.022 numeric
@attribute C.023 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.036 numeric
@attribute C.038 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute C.043 numeric
@attribute C.044 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AP numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_PN numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AN numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AP numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AN numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_LL 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 Cl.086 numeric
@attribute Cl.089 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr03 numeric
@attribute D.Dtr04 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr07 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute D.Dtr11 numeric
@attribute D.Dtr12 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.50 numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_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.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.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.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.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.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.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 F.084 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.053 numeric
@attribute HDcpx numeric
@attribute HNar numeric
@attribute HVcpx numeric
@attribute Hy numeric
@attribute Hypertens.50 numeric
@attribute Hypertens.80 numeric
@attribute Hypnotic.50 numeric
@attribute Hypnotic.80 numeric
@attribute IAC numeric
@attribute IC0 numeric
@attribute IC1 numeric
@attribute IC2 numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute ICR numeric
@attribute IDDE numeric
@attribute IDDM numeric
@attribute IDE numeric
@attribute IDET numeric
@attribute IDM numeric
@attribute IDMT numeric
@attribute Infective.50 numeric
@attribute Infective.80 numeric
@attribute Inflammat.50 numeric
@attribute Inflammat.80 numeric
@attribute ISIZ numeric
@attribute IVDE numeric
@attribute IVDM numeric
@attribute JGI1 numeric
@attribute JGI10 numeric
@attribute JGI2 numeric
@attribute JGI3 numeric
@attribute JGI4 numeric
@attribute JGI5 numeric
@attribute JGI6 numeric
@attribute JGI7 numeric
@attribute JGI8 numeric
@attribute JGI9 numeric
@attribute JGT numeric
@attribute LLS_01 numeric
@attribute 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.078 numeric
@attribute N.079 numeric
@attribute n124.Triazines 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 nArC.N numeric
@attribute nArCO numeric
@attribute nArCONR2 numeric
@attribute nArCOOR numeric
@attribute nArNH2 numeric
@attribute nArNO2 numeric
@attribute nArNR2 numeric
@attribute nArOH numeric
@attribute nArOR numeric
@attribute nArX numeric
@attribute nAT numeric
@attribute nAzetidines numeric
@attribute nBM numeric
@attribute nBnz numeric
@attribute nBO numeric
@attribute nBR numeric
@attribute nBT numeric
@attribute nC numeric
@attribute nCar numeric
@attribute nCb. numeric
@attribute nCbH numeric
@attribute nCconj numeric
@attribute nCH2RX numeric
@attribute nCIC numeric
@attribute nCIR numeric
@attribute nCL numeric
@attribute nC.N.N. numeric
@attribute nCp numeric
@attribute nCq numeric
@attribute nCrq numeric
@attribute nCrs numeric
@attribute nCrt numeric
@attribute nCs numeric
@attribute nCsp numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nCt numeric
@attribute nDB numeric
@attribute NddsN numeric
@attribute NddssS numeric
@attribute NdO numeric
@attribute NdsCH numeric
@attribute NdsN numeric
@attribute NdssC numeric
@attribute Neoplastic.50 numeric
@attribute Neoplastic.80 numeric
@attribute nF numeric
@attribute nH numeric
@attribute nHAcc numeric
@attribute nHDon numeric
@attribute nHet numeric
@attribute nHM numeric
@attribute nImidazoles numeric
@attribute nIsoxazoles numeric
@attribute nN numeric
@attribute nN. numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nOHp numeric
@attribute nPyrazines numeric
@attribute nPyrazoles numeric
@attribute nPyridazines numeric
@attribute nPyridines numeric
@attribute nPyrimidines numeric
@attribute nPyrroles numeric
@attribute nPyrrolidines numeric
@attribute nR03 numeric
@attribute nR04 numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR07 numeric
@attribute nR09 numeric
@attribute nR10 numeric
@attribute nR11 numeric
@attribute nR12 numeric
@attribute nR.C. numeric
@attribute nR.CH.X numeric
@attribute nRC.N numeric
@attribute nRCO numeric
@attribute nRCONHR numeric
@attribute nRCONR2 numeric
@attribute nRCOOR numeric
@attribute nR.Cs numeric
@attribute nR.Ct numeric
@attribute nRNR2 numeric
@attribute nROCON numeric
@attribute nROH numeric
@attribute nROR numeric
@attribute NRS numeric
@attribute nRSR numeric
@attribute nS numeric
@attribute NsBr numeric
@attribute NsCH3 numeric
@attribute NsCl numeric
@attribute NsF numeric
@attribute nSK numeric
@attribute NsNH2 numeric
@attribute nSO2N numeric
@attribute NsOH numeric
@attribute NssCH2 numeric
@attribute NssNH numeric
@attribute NssO numeric
@attribute NssS numeric
@attribute NsssCH numeric
@attribute NsssN numeric
@attribute NssssC numeric
@attribute NssssSi numeric
@attribute nTB numeric
@attribute NtCH numeric
@attribute nThiazoles numeric
@attribute nThiophenes numeric
@attribute ntH.Thiophenes numeric
@attribute nTriazoles numeric
@attribute NtsC numeric
@attribute nX numeric
@attribute O. numeric
@attribute O.056 numeric
@attribute O.057 numeric
@attribute O.058 numeric
@attribute O.059 numeric
@attribute O.060 numeric
@attribute O.061 numeric
@attribute ON0 numeric
@attribute ON0V numeric
@attribute ON1 numeric
@attribute ON1V numeric
@attribute PCD numeric
@attribute PCR numeric
@attribute PDI numeric
@attribute PHI numeric
@attribute 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.50 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_4 numeric
@attribute P_VSA_e_5 numeric
@attribute P_VSA_e_6 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_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 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.107 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 SdsCH numeric
@attribute SdsN numeric
@attribute SdssC numeric
@attribute Se numeric
@attribute Si numeric
@attribute Si.111 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 SsBr numeric
@attribute SsCH3 numeric
@attribute SsCl numeric
@attribute SsF numeric
@attribute SsNH2 numeric
@attribute SsOH numeric
@attribute SssCH2 numeric
@attribute SssNH numeric
@attribute SssO numeric
@attribute SssS numeric
@attribute SsssCH numeric
@attribute SsssN numeric
@attribute SssssC numeric
@attribute SssssSi numeric
@attribute StCH numeric
@attribute StsC 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 1.587,2 6.55,3 3.385,4 11.457,5 79.962,6 8.629,7 0.545,8 3.601,9 3.702,10 3.304,11 3.249,12 4.749,13 3.22,14 4.1,15 4.251,16 3.684,17 3.627,18 5.231,19 3.584,20 4.359,21 4.514,22 3.849,23 3.816,24 5.554,25 3.762,26 4.401,27 4.571,28 3.76,29 3.8,30 5.546,31 3.726,32 4.445,33 4.651,34 3.745,35 3.777,36 5.54,37 3.679,38 4.367,39 4.588,40 3.653,41 3.663,42 5.452,43 3.529,44 4.134,45 4.346,46 3.261,47 3.334,48 5.354,49 3.156,50 3.642,51 3.93,52 2.256,53 2.653,54 4.603,55 2.405,56 0.011,57 0.437,58 4.942,59 2.727,60 4.202,61 3.408,62 0.129,63 0.732,64 10.371,65 4.496,66 12.041,67 5.669,68 0.216,69 0.918,70 16.083,71 6.2,72 29.372,73 7.574,74 0.168,75 0.947,76 16.155,77 6.562,78 29.259,79 7.978,80 0.227,81 0.978,82 18.511,83 7.145,84 30.201,85 9.251,86 0.165,87 0.849,88 19.192,89 7.312,90 30.442,91 9.353,92 0.313,93 0.596,94 23.586,95 6.264,96 47.211,97 7.505,98 0.142,99 0.379,100 12.946,101 3.989,102 24.132,103 5.194,104 10,105 31,106 0.292,107 0.586,108 0.72,109 0.832,110 0.847,111 0.847,112 3.06,113 0.915,114 -4.59,115 -4.51,116 -4.24,118 48.5,123 1,124 1,135 8,136 2,137 2,148 1,149 1,159 8,161 1,162 4,166 11,168 2,169 5,173 10,176 6,180 5,184 9,187 7,191 4,195 7,198 4,202 5,204 1,208 2,216 432,217 13.483,218 13.483,219 13.483,220 13.483,221 13.483,222 11.691,223 13.513,224 7.927,225 13.746,226 10.833,227 10.833,228 10.833,229 10.833,230 10.833,231 8.134,232 18.186,233 3.755,234 11.286,235 3.458,236 1.867,237 1.137,238 0.531,239 0.447,240 0.447,241 3.738,243 1,244 1,245 1,246 1,247 279,248 1.871,252 90.369,253 48.391,256 77.125,258 0.995,259 16.992,261 1,262 1,263 1,264 1,265 0.6,266 0.5,267 1,268 1,269 0.87,270 42.333,271 131,272 4.541,273 3.771,274 6.831,275 4.189,276 3.217,277 4.158,278 1.988,279 11.294,280 3.126,281 4.04,282 3.224,283 6.197,284 3.697,285 2.722,286 3.567,287 0.701,288 8.98,289 2.648,290 3.793,291 2.881,292 5.543,293 3.39,294 2.436,295 3.089,296 0.485,297 7.055,298 2.329,299 3.422,300 2.619,301 4.939,302 2.938,303 2.012,304 2.744,306 5.631,307 1.846,308 3.299,309 2.092,310 4.755,311 2.846,312 1.877,313 2.528,315 4.973,316 1.727,317 2.772,318 1.569,319 3.907,320 2.325,321 1.329,322 1.887,324 3.109,325 1.322,326 2.554,327 1.366,328 3.633,329 2.036,330 1.074,331 1.506,333 2.618,334 1.025,335 2.5,336 1.186,337 3.397,338 2,339 1,340 1.5,342 2.136,343 1,344 2.034,345 1,346 3.247,347 1.617,348 0.649,349 0.832,350 1.644,351 0.611,352 1.434,353 0.708,354 2.949,355 1.16,356 0.179,357 0.213,358 0.434,359 0.172,360 1.038,361 0.359,362 2.374,363 0.581,364 -0.286,365 -0.348,366 -0.653,367 -0.201,368 0.708,369 -0.193,370 2.315,371 0.253,372 -0.724,373 -0.954,374 -1.708,375 -0.678,376 0.663,377 -0.612,378 2,379 0.143,380 -0.859,381 -1.222,382 -2.347,383 -0.835,384 0.5,385 -0.749,386 1.841,388 -1,389 -1.422,390 -2.391,391 -0.953,392 0.14,393 -0.915,394 1.555,395 -0.232,396 -1.17,397 -1.5,398 -3,399 -1,400 9.848,401 0.492,402 0.507,403 0.025,404 28.25,405 1.413,406 15.5,407 0.775,408 12.75,409 0.638,410 13.427,411 0.671,412 20.152,413 0.611,414 19.407,415 0.97,416 5.777,417 0.289,418 3.888,419 0.194,420 0.157,422 0.345,424 0.587,425 1.217,426 0.558,427 0.889,428 0.544,429 0.834,430 0.739,431 0.989,432 0.65,433 0.753,434 0.618,435 0.775,436 1.022,437 1.04,438 0.936,439 0.943,440 0.994,441 0.93,442 1.148,443 1.145,444 0.901,445 1.023,446 1.206,447 1.049,448 0.751,449 1.026,450 0.767,451 1.007,452 0.804,453 1.025,454 0.998,455 0.97,456 0.918,457 0.948,458 1.005,459 0.992,460 1.567,461 0.932,462 2.072,463 1.434,464 1.446,465 1.321,466 1.217,467 0.822,468 1.307,469 1.088,470 1.347,471 1.115,472 3.5,474 2.667,475 1.625,476 1.309,477 0.788,478 0.49,479 0.15,480 0.061,482 3225,483 9871,484 2.077,485 39.4,487 13,494 1.628,495 1.935,496 2.738,497 -0.787,499 1,501 1,502 52.359,503 1.587,504 3.177,505 3.908,506 4.514,507 4.597,508 4.597,509 2.148,510 3.922,511 4.296,512 2.839,513 539.439,514 7.391,515 5365.73,516 1,517 1,518 1,519 1,520 166.465,521 1.441,522 4.248,523 0.159,525 0.086,526 0.045,527 0.041,528 0.027,529 0.021,530 0.012,531 0.015,533 0.407,534 0.83,535 1,536 0.627,537 85.339,538 -0.008,539 -0.172,540 0.023,541 -0.048,542 -0.058,543 -0.008,544 0.03,545 0.096,546 0.051,547 0.111,548 -0.009,549 0.085,550 -0.018,551 -0.003,552 -0.089,553 -0.043,554 -0.012,555 -0.051,556 -0.166,557 -0.131,558 -0.124,559 -0.117,560 -0.136,561 -0.149,562 0.075,563 -0.029,564 0.047,565 -0.069,566 0.011,567 -0.063,568 -0.029,569 -0.054,570 0.123,571 0.068,572 0.015,573 0.035,574 -0.1,575 -0.089,576 -0.369,577 -0.313,578 -0.027,579 -0.261,580 -0.095,581 0.011,582 -0.04,583 0.028,584 -0.092,585 0.037,586 1.695,587 5.024,588 0.85,589 11.4,590 1.005,591 1.11,592 3.355,593 11.257,594 0.724,595 3.135,596 3.466,597 3.761,598 4.025,599 4.304,600 4.419,601 4.466,602 4.454,603 4.419,604 4.407,605 4.248,606 0.689,607 284.76,608 3.135,609 4.673,610 5.533,611 6.418,612 7.302,613 8.196,614 9.087,615 9.984,616 10.878,617 11.777,618 6.1,623 1,625 1,632 8,637 4,639 12,640 1,649 1,650 33,652 14,653 2,654 22,656 35,657 16,658 12,659 4,660 8,661 1,663 3,664 4,665 1,674 14,675 2,677 2,680 1,682 1,683 2,684 1,685 1,687 13,688 3,690 4,691 1,694 2,696 0.667,697 1,709 2,710 1,713 1,720 1,728 2,732 1,733 1,735 20,739 1,744 1,754 1,755 3,758 1,762 10.333,763 6.376,764 4.389,765 1.895,766 2.559,767 1.379,768 1.003,769 3.39,770 9.302,771 3.434,772 4.025,773 4.605,774 5.173,775 5.739,776 5.973,777 6.315,778 6.569,779 6.804,780 7.092,781 1,782 36,783 7.368,784 3.129,785 7.781,786 13.984,787 11.408,788 2.281,789 45.611,790 0.001,793 153.024,794 106.402,795 19.91,796 39.149,797 25.145,800 106.402,801 217.318,802 19.91,803 8.396,804 5.23,805 75.81,806 32.606,807 29.414,809 153.024,810 39.149,811 153.024,812 126.312,813 25.145,814 39.149,816 153.024,817 25.145,819 22.016,820 104.296,821 39.149,823 153.024,824 45.055,825 145.551,827 153.024,828 22.196,829 87.331,831 81.079,832 153.024,833 45.055,834 145.551,835 0.584,836 0.349,837 0.19,838 0.113,839 16,840 7,841 0.029,842 1,843 1,844 1.118,845 3.097,846 158.702,847 0.118,848 17,849 82.439,852 13.042,853 5.198,854 2.413,856 45.055,857 15.349,862 3.339,865 343.63,866 30,869 12.024,871 4.474,872 0.778,873 33.156,874 36.641,876 0.315,877 0.63,878 0.775,879 0.895,880 0.911,881 0.911,882 4.663,883 1,884 5.525,885 2.618,886 4.143,887 4.71,888 2.192,889 6.361,890 4.068,891 5.876,892 0.649,893 7.102,894 2.136,895 3.761,896 4.443,897 1.668,898 7.33,899 3.612,900 7.185,901 0.179,902 8.785,903 1.644,904 5.753,905 6.87,906 3.105,907 10.471,908 5.617,909 8.53,910 -0.286,911 10.53,912 0.434,913 6.196,914 7.4,915 3.205,916 12.284,917 6.005,918 9.906,919 -0.724,920 12.315,921 -0.653,922 7.665,923 9.301,924 4.301,925 14.952,926 7.476,927 11.304,928 -0.859,929 14.128,930 -1.708,931 8.489,932 10.227,933 4.681,934 17.11,935 8.256,936 12.72,937 -1,938 15.961,939 -2.347,940 9.755,941 11.889,942 5.592,943 19.616,944 9.513,945 3.217,946 -1.17,947 17.809,948 -2.391,949 10.757,950 13.031,951 6.113,952 21.92,953 10.479,954 2.722,955 11.294,956 19.669,957 -3,958 11.946,959 14.573,960 6.924,961 24.369,962 11.651,963 2.436,964 8.98,965 21.537,966 4.158,967 13.031,968 15.838,969 7.519,970 26.737,971 12.704,972 2.012,973 7.055,974 23.414,975 3.567,976 14.195,977 17.317,978 8.275,979 29.165,980 13.845,981 1.877,982 5.631,983 25.296,984 3.089,985 15.319,986 18.65,987 8.911,988 31.562,989 14.939,990 1.329,991 4.973,992 27.183,993 2.744,994 16.476,995 20.099,996 9.636,997 33.984,998 16.07,999 1.074,1000 3.109,1001 29.075,1002 2.528,1003 17.619,1004 21.471,1005 10.295,1006 36.394,1007 17.184,1008 3193,1009 5672,1010 14.622,1011 23.892,1012 33.505,1013 34.41,1014 34.434,1015 33.214,1016 32.99,1017 44.05,1018 6.348,1019 95.746,1020 31.61,1021 5.387,1022 5.771,1023 6.633,1024 5.213,1025 5.217,1026 7.158,1027 3.469,1028 18.773,1029 5.126,1030 8.995,1031 1.523,1032 1.564,1033 1.565,1034 1.51,1035 1.5,1036 2.002,1037 0.289,1038 4.352,1039 1.437,1040 4.03,1041 4.057,1042 4.058,1043 3.959,1044 7.427,1045 3.961,1046 3.83,1047 3.861,1048 3.818,1049 3.771,1050 4.961,1051 3.764,1052 3.558,1053 3.596,1054 3.615,1055 3.373,1056 4.778,1057 3.393,1058 3.26,1059 3.344,1060 3.192,1061 3.071,1062 4.484,1063 3.081,1064 3.012,1065 3.059,1066 3.159,1067 2.86,1068 4.215,1069 2.851,1070 2.854,1071 2.925,1072 2.764,1073 2.735,1074 3.898,1075 2.715,1076 2.797,1077 2.85,1078 2.687,1079 2.687,1080 3.674,1081 2.66,1082 2.666,1083 2.718,1084 2.57,1085 2.574,1086 3.582,1087 2.553,1088 0.206,1089 0.171,1090 0.31,1091 0.19,1092 0.146,1093 4.541,1094 0.189,1095 3.771,1096 0.09,1097 6.831,1098 0.513,1099 4.189,1100 0.142,1101 3.217,1102 4.158,1103 1.988,1104 11.294,1105 3.126,1106 1.961,1107 1.94,1108 2.046,1109 2.032,1110 1.169,1111 2.039,1112 1.833,1113 1.807,1114 1.934,1115 1.934,1116 1.035,1117 1.938,1118 1.53,1119 1.481,1120 1.712,1121 1.759,1122 0.828,1123 1.748,1124 1.23,1125 1.166,1126 1.517,1127 1.456,1128 0.609,1129 1.483,1130 0.995,1131 0.93,1132 1.22,1133 1.179,1134 0.341,1135 1.193,1136 0.886,1137 0.821,1138 1.181,1139 1.062,1140 0.218,1141 1.107,1142 0.808,1143 0.751,1144 1.059,1145 0.974,1146 0.141,1147 1.013,1148 0.684,1149 0.633,1150 0.892,1151 0.859,1152 0.031,1153 0.887,1154 3.807,1156 5.13,1158 6.655,1159 2.708,1160 8.27,1161 5.38,1162 9.933,1164 1.762,1165 6.108,1169 0.146,1174 1.63,1179 22.746,1180 52.359,1181 104.855,1182 128.955,1183 148.955,1184 151.71,1185 151.71,1186 28.276,1187 6.743,1188 32.67,1189 32.67,1190 19,1191 12.301,1192 3.907,1193 3.17,1194 29.563,1195 51,1196 50,1197 0.3,1198 144.566,1199 251.36,1200 344.502,1201 6474,1202 3,1203 14.113,1204 0.706,1205 0.588,1206 14.613,1207 11.762,1208 9.665,1209 0.439,1210 0.305,1211 6.298,1212 9.124,1213 6.075,1214 5.037,1215 9.953,1216 6.708,1217 8.722,1218 0.281,1219 0.164,1220 9.13,1221 5.082,1222 7.551,1223 0.18,1224 0.086,1225 7.813,1226 3.604,1227 6.095,1228 0.111,1229 0.045,1230 6.315,1231 2.478,1232 5.192,1233 0.071,1234 0.024,1235 5.463,1236 1.759,1237 0.438,1238 62.817,1239 0.262,1240 19.143,1241 0.932,1242 106,1243 305.229,1244 127.869,1245 330.141,1246 442.95,1247 308,1248 126,1249 301.781,1250 142.831,1251 318.827,1252 466.9,1253 300,1254 7.638}
{0 CHEMBL130416,1 1.637,2 10.357,3 3.466,4 12.014,5 103.83,6 7.717,7 0.355,8 4.014,9 4.124,10 3.736,11 3.78,12 5.092,13 3.651,14 4.564,15 4.739,16 4.026,17 4.124,18 5.647,19 3.99,20 4.811,21 4.989,22 4.14,23 4.187,24 5.93,25 4.12,26 4.923,27 5.133,28 4.221,29 4.225,30 6.073,31 4.154,32 4.792,33 4.947,34 4.128,35 4.195,36 6.018,37 4.109,38 4.805,39 4.991,40 3.97,41 4.129,42 5.962,43 4.011,44 4.792,45 5.037,46 3.813,47 3.99,48 5.891,49 3.846,50 4.589,51 4.83,52 3.69,53 3.921,54 5.581,55 3.723,56 0.009,57 0.842,58 11.418,59 6.731,60 8.648,61 6.976,62 0.437,63 1.45,64 27.197,65 14.307,66 35.993,67 13.639,68 0.28,69 1.51,70 25.269,71 10.504,72 40.574,73 13.399,74 0.461,75 1.657,76 31.448,77 12.333,78 63.664,79 15.015,80 0.422,81 1.537,82 27.014,83 11.583,84 59.568,85 12.433,86 0.308,87 1.493,88 27.389,89 11.709,90 55.703,91 13.457,92 0.624,93 1.433,94 30.91,95 11.692,96 89.859,97 14.466,98 0.187,99 1.238,100 24.54,101 11.108,102 36.791,103 12.696,104 49,105 47,106 0.273,107 0.619,108 0.787,109 0.803,110 0.803,111 0.803,112 3.376,113 1.261,114 -4.49,115 -4.42,116 -4.16,118 41.2,119 1,120 1,123 3,124 2,126 1,133 1,134 1,135 3,136 2,137 1,139 1,144 1,149 2,151 1,159 5,161 3,162 6,166 6,168 3,169 5,173 4,175 4,176 10,180 1,183 2,184 10,187 2,190 1,191 6,195 2,197 2,198 6,202 2,204 2,208 2,211 3,215 2,216 1082,217 18.455,218 18.455,219 18.455,220 18.455,221 18.455,222 16.854,223 22.861,224 10.488,225 18.877,226 15.248,227 15.248,228 15.248,229 15.248,230 15.248,231 12.441,232 25.442,233 4.876,234 15.816,235 4.035,236 1.965,237 0.957,238 0.864,239 0.864,240 0.864,241 4.062,245 1,246 1,247 617,248 4.183,250 37.229,251 45.743,252 52.049,253 57.778,254 77.34,255 87.774,256 94.83,257 107.336,258 1.862,259 33.322,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 59.833,271 290,272 4.706,273 3.859,274 7.16,275 4.381,276 3.423,277 4.38,278 1.674,279 12.539,280 3.282,281 4.381,282 3.67,283 6.538,284 4.104,285 3.105,286 3.916,287 1.23,288 10.191,289 3.104,290 4.244,291 3.179,292 6.397,293 3.906,294 2.919,295 3.481,296 0.521,297 9.96,298 2.877,299 3.948,300 3.148,301 6.329,302 3.721,303 2.772,304 3.13,306 9.492,307 2.628,308 3.731,309 2.994,310 5.773,311 3.342,312 2.376,313 2.995,315 7.582,316 2.285,317 3.584,318 2.715,319 5.287,320 3.223,321 2.224,322 2.749,324 6.701,325 2.207,326 3.051,327 2.154,328 4.706,329 2.559,330 1.602,331 2.094,333 4.389,334 1.523,335 2.919,336 1.811,337 4.566,338 2.215,339 1.265,340 1.66,342 3.836,343 1.198,344 2.619,345 1.507,346 4.027,347 2.124,348 1.188,349 1.57,350 2.979,351 1.102,352 2.484,353 1.413,354 3.72,355 1.936,356 0.943,357 1.284,358 2.408,359 0.93,360 2.377,361 1.173,362 3.375,363 1.791,364 0.814,365 1.195,366 1.69,367 0.786,368 2.059,369 0.769,370 3.297,371 1.62,372 0.63,373 0.91,374 1.338,375 0.62,376 1.538,377 0.671,378 3.071,379 1.284,380 0.322,381 0.373,382 0.845,383 0.307,384 1.353,385 0.479,386 2.937,387 1.182,388 0.182,389 0.205,390 0.462,391 0.181,392 1.106,393 0.258,394 2.692,395 0.69,396 -0.3,397 -0.381,398 -0.778,399 -0.295,400 13.95,401 0.498,402 0.96,403 0.034,404 34.5,405 1.232,406 15,407 0.536,408 19.5,409 0.696,410 25.921,411 0.926,412 29.25,413 0.574,414 27.604,415 0.986,416 6.028,417 0.215,418 7.27,419 0.26,420 0.191,421 0.09,422 0.344,424 0.801,425 1.331,426 0.838,427 1.301,428 0.583,429 1.002,430 0.79,431 1.402,432 1.285,433 2.076,434 0.492,435 1.293,436 0.76,437 0.955,438 0.754,439 0.568,440 0.767,441 0.843,442 0.964,443 0.783,444 0.673,445 0.523,446 1.321,447 0.658,448 1.391,449 1.078,450 1.131,451 0.957,452 1.596,453 1.036,454 1.164,455 1.051,456 1.093,457 0.872,458 1.188,459 1.091,460 0.932,461 0.932,462 0.835,463 0.811,464 0.781,465 0.91,466 0.915,467 1.026,468 0.907,469 0.92,470 0.874,471 0.963,472 6.5,473 0.159,474 3.556,475 2.215,476 2.368,477 1.369,478 0.898,479 0.57,480 0.409,481 0.289,482 8558,483 21318,484 2.043,485 45.1,487 17,489 1,492 3,493 2,494 1.715,495 1.856,496 3.266,497 -0.742,499 1,502 83.503,503 1.637,504 3.707,505 4.716,506 4.809,507 4.809,508 4.809,509 2.807,510 4.084,511 4.768,512 3.472,513 1312.32,514 8.325,515 16391.4,517 1,519 1,520 289.294,521 1.708,522 4.703,523 0.21,524 0.011,525 0.079,526 0.044,527 0.045,528 0.029,529 0.024,530 0.019,531 0.016,532 0.013,533 0.49,534 0.33,535 1,536 1.464,537 137.756,538 0.002,539 -0.072,540 0.141,541 0.128,542 -0.047,543 0.095,544 0.273,545 -0.031,546 -0.068,547 -0.223,548 0.16,549 -0.046,550 0.068,551 -0.061,552 0.019,553 -0.024,555 -0.033,556 0.086,557 0.117,558 0.197,559 0.117,560 -0.06,561 0.186,562 -0.105,563 -0.045,564 -0.216,565 -0.067,566 -0.158,567 -0.151,568 -0.09,569 -0.105,570 -0.21,571 -0.097,572 -0.077,573 -0.211,574 0.01,575 -0.066,576 0.107,577 -0.014,578 0.173,579 0.03,580 -0.028,581 -0.06,582 0.087,583 0.086,584 0.022,585 0.044,586 2.208,587 6.161,588 0.571,589 27.872,590 0.998,591 1.118,592 3.264,593 10.655,594 0.707,595 3.466,596 3.871,597 4.174,598 4.489,599 4.804,600 5.056,601 5.273,602 5.468,603 5.617,604 5.704,605 6.005,606 0.654,607 393.56,608 3.466,609 5.056,610 5.938,611 6.87,612 7.781,613 8.721,614 9.647,615 10.591,616 11.526,617 12.472,618 5.9,623 1,624 1,626 1,632 4,633 1,637 5,638 1,639 11,642 1,643 1,650 51,651 1,652 14,653 1,654 31,656 54,657 21,658 9,659 3,660 3,661 2,663 4,664 11,667 1,670 2,672 2,673 2,674 11,675 8,677 2,680 2,683 2,685 1,687 23,688 5,690 7,691 1,692 1,694 3,696 0.25,697 3,707 1,708 1,709 1,710 1,711 1,712 1,713 1,714 1,715 2,728 1,732 4,735 28,739 3,741 1,743 1,744 1,746 1,747 1,753 2,755 5.9,758 2,760 1,762 15.083,763 10.767,764 5.958,765 3.34,766 2.909,767 1.36,768 1.001,769 4.875,770 10.979,771 3.726,772 4.327,773 4.96,774 5.538,775 6.091,776 6.566,777 7.046,778 7.482,779 7.886,780 8.222,781 1,782 50,783 10.479,784 4.65,785 7.775,786 20.141,787 17.532,788 2.275,789 63.694,791 1,792 1,793 188.338,794 113.175,795 35.47,797 50.29,800 106.402,801 241.692,802 36.45,803 8.825,804 8.852,805 56.857,806 77.97,807 31.313,808 11.771,809 176.567,811 188.338,812 145.453,813 57.643,816 188.338,817 54.454,819 32.144,820 83.927,821 33.816,823 200.109,824 83.099,825 128.737,827 188.338,828 34.329,829 77.058,831 97.742,832 188.338,833 89.637,834 128.737,835 0.598,836 0.338,837 0.182,838 0.107,839 25,840 12,841 0.056,842 3,843 3,844 1.375,845 3.748,846 261.87,847 0.375,848 16,849 127.851,852 19.273,853 7.082,854 3.43,856 84.195,857 7.297,858 4.32,862 3.188,863 1.86,865 414.867,866 40.5,869 25.539,872 -0.474,873 50.902,874 56.999,875 1,876 0.289,877 0.654,878 0.831,879 0.848,880 0.848,881 0.848,882 5.035,883 1.265,884 5.994,885 4.389,886 4.554,887 5.014,888 2.306,889 6.915,890 4.492,891 6.29,892 1.188,893 7.626,894 3.836,895 4.443,896 4.956,897 0.325,898 8.138,899 4.377,900 7.647,901 0.943,902 9.362,903 2.979,904 6.312,905 7.231,906 3.033,907 11.22,908 6.196,909 9.035,910 0.814,911 11.157,912 2.408,913 6.967,914 7.968,915 0.74,916 13.191,917 6.841,918 10.453,919 0.63,920 12.987,921 1.69,922 8.371,923 9.747,924 3.921,925 15.856,926 8.204,927 11.89,928 0.322,929 14.84,930 1.338,931 9.331,932 10.843,933 1.168,934 18.12,935 9.144,936 13.343,937 0.182,938 16.709,939 0.845,940 10.582,941 12.428,942 4.883,943 20.661,944 10.359,945 3.423,946 -0.3,947 18.59,948 0.462,949 11.671,950 13.701,951 1.605,952 23.055,953 11.421,954 3.105,955 12.539,956 20.48,957 -0.778,958 12.874,959 15.207,960 5.881,961 25.562,962 12.589,963 2.919,964 10.191,965 22.378,966 4.38,967 14.021,968 16.571,969 2.049,970 28.018,971 13.703,972 2.772,973 9.96,974 24.283,975 3.916,976 15.213,977 18.045,978 6.895,979 30.521,980 14.859,981 2.376,982 9.492,983 26.193,984 3.481,985 16.387,986 19.456,987 2.494,988 33.008,989 15.998,990 2.224,991 7.582,992 28.109,993 3.13,994 17.581,995 20.92,996 7.918,997 35.515,998 17.154,999 1.602,1000 6.701,1001 30.029,1002 2.995,1003 18.771,1004 22.356,1005 2.938,1006 38.019,1007 18.305,1008 8433,1009 13498,1010 19.997,1011 36.051,1012 49.408,1013 50.098,1014 49.654,1015 47.502,1016 47.528,1017 59.883,1018 6.852,1019 148.825,1020 46.057,1021 5.706,1022 5.859,1023 6.929,1024 5.451,1025 5.423,1026 7.38,1027 3.349,1028 20.302,1029 5.282,1030 16.919,1031 1.594,1032 1.616,1033 1.602,1034 1.532,1035 1.533,1036 1.932,1037 0.221,1038 4.801,1039 1.486,1040 4.127,1041 4.165,1042 4.182,1043 4.563,1044 7.434,1045 4.051,1046 3.822,1047 3.849,1048 4.071,1049 3.987,1050 7.427,1051 3.935,1052 3.691,1053 3.744,1054 3.73,1055 3.701,1056 4.944,1057 3.688,1058 3.655,1059 3.698,1060 3.611,1061 3.476,1062 4.783,1063 3.504,1064 3.496,1065 3.559,1066 3.361,1067 3.272,1068 4.456,1069 3.273,1070 3.165,1071 3.182,1072 3.111,1073 3.059,1074 4.386,1075 3.059,1076 3.096,1077 3.109,1078 2.998,1079 2.887,1080 4.215,1081 2.904,1082 2.93,1083 3.009,1084 2.831,1085 2.73,1086 3.97,1087 2.763,1088 0.152,1089 0.124,1090 0.231,1091 0.141,1092 0.11,1093 4.706,1094 0.141,1095 3.859,1096 0.054,1097 7.16,1098 0.404,1099 4.381,1100 0.106,1101 3.423,1102 4.38,1103 1.674,1104 12.539,1105 3.282,1106 1.958,1107 1.941,1108 2.011,1109 2.033,1110 1.372,1111 2.027,1112 1.843,1113 1.794,1114 1.993,1115 2.011,1116 1.334,1117 2.008,1118 1.793,1119 1.764,1120 1.807,1121 1.782,1122 1.132,1123 1.78,1124 1.517,1125 1.475,1126 1.784,1127 1.616,1128 0.94,1129 1.769,1130 1.331,1131 1.284,1132 1.441,1133 1.545,1134 0.638,1135 1.522,1136 1.308,1137 1.248,1138 1.42,1139 1.5,1140 0.469,1141 1.495,1142 1.042,1143 1.015,1144 1.417,1145 1.258,1146 0.469,1147 1.308,1148 0.934,1149 0.885,1150 1.417,1151 1.239,1152 0.379,1153 1.308,1154 4.143,1156 5.557,1157 2.398,1158 7.141,1159 4.844,1160 8.807,1161 7.111,1162 10.523,1164 8.333,1169 1.759,1171 5.166,1173 -0.154,1174 1.803,1176 -1.514,1178 6.571,1179 33.361,1180 83.503,1181 189.073,1182 240.5,1183 245.255,1184 245.255,1185 245.255,1186 60.766,1187 8.07,1188 64.43,1189 64.43,1190 22,1191 12.966,1192 3.907,1193 3.392,1194 42.261,1195 102,1196 108,1197 0.217,1198 205.388,1199 371.74,1200 492.907,1201 33528,1203 20.052,1204 0.716,1205 0.628,1206 20.302,1207 17.574,1208 13.298,1209 0.429,1210 0.42,1211 9.765,1212 12.065,1213 9.029,1214 7.522,1215 14.225,1216 13.028,1217 13.119,1218 0.279,1219 0.273,1220 14.524,1221 12.854,1222 10.442,1223 0.163,1224 0.091,1225 10.889,1226 5.813,1227 8.743,1228 0.099,1229 0.045,1230 9.062,1231 3.939,1232 7.441,1233 0.061,1234 0.025,1235 7.813,1236 3.006,1237 0.331,1238 90.793,1239 0.224,1240 26.129,1241 0.628,1242 156,1243 441.643,1244 191.913,1245 432.35,1246 595.73,1247 404,1248 189,1249 437.405,1250 229.734,1251 452.123,1252 671.76,1253 424,1254 8.585}
{0 CHEMBL13280,1 1.8,2 7.217,3 2.82,4 7.954,5 82.698,6 8.952,7 0.48,8 3.692,9 3.787,10 3.402,11 3.245,12 5.011,13 3.264,14 4.183,15 4.318,16 3.777,17 3.62,18 5.614,19 3.639,20 4.444,21 4.586,22 3.971,23 3.815,24 5.847,25 3.835,26 4.545,27 4.698,28 3.912,29 3.818,30 5.953,31 3.821,32 4.55,33 4.74,34 3.84,35 3.79,36 5.832,37 3.767,38 4.507,39 4.704,40 3.81,41 3.629,42 5.926,43 3.631,44 4.349,45 4.531,46 3.67,47 3.375,48 5.976,49 3.419,50 4.212,51 4.407,52 3.109,53 2.869,54 6.151,55 2.892,56 0.181,57 0.589,58 4.494,59 2.937,60 15.554,61 3.151,62 0.387,63 0.927,64 9.521,65 4.721,66 57.381,67 5.191,68 0.488,69 1.212,70 12.929,71 6.244,72 61.456,73 6.535,74 0.669,75 1.275,76 15.834,77 6.969,78 104.705,79 7.049,80 0.584,81 1.237,82 17.563,83 7.462,84 88.443,85 8.597,86 0.756,87 1.227,88 18.328,89 6.852,90 99.924,91 7.972,92 0.7,93 0.962,94 15.231,95 5.472,96 93.791,97 5.919,98 1.176,99 0.657,100 17.766,101 4.785,102 233.964,103 4.313,104 27,105 36,106 0.324,107 0.631,108 0.757,109 0.858,110 0.878,111 0.878,112 3.19,113 0.82,114 -4.19,115 -4.14,116 -3.91,118 45.7,123 1,124 1,135 7,136 2,137 3,148 1,149 1,157 2,159 6,161 2,162 6,166 7,168 2,169 10,173 6,176 10,180 4,183 2,184 7,187 5,190 4,191 6,195 4,197 1,198 7,202 3,203 2,204 6,208 1,211 2,216 677,217 15.19,218 15.19,219 15.19,220 15.19,221 15.19,222 13.094,223 18.493,224 8.729,225 15.424,226 12.268,227 12.268,228 12.268,229 12.268,230 12.268,231 9.093,232 24.208,233 4.076,234 12.639,235 3.329,236 1.626,237 0.926,238 0.364,239 0.25,240 0.25,241 3.866,244 1,245 1,246 1,247 348,248 2.646,252 108.073,253 58.923,256 92.887,258 0.941,259 40.919,261 1,262 1,263 1,264 1,265 0.4,267 1,268 1,269 0.77,270 52,271 166,272 4.585,273 3.797,274 6.88,275 4.223,276 3.249,277 4.244,278 2.612,279 11.474,280 3.164,281 4.236,282 3.755,283 6.362,284 3.817,285 2.852,286 3.884,287 1.988,288 9.518,289 2.746,290 4.079,291 3.307,292 5.943,293 3.653,294 2.686,295 3.567,296 0.701,297 8.235,298 2.592,299 3.673,300 2.903,301 5.645,302 3.27,303 2.287,304 2.925,305 0.485,306 7.11,307 2.242,308 3.436,309 2.529,310 5.078,311 2.959,312 1.996,313 2.716,315 5.659,316 1.911,317 2.939,318 2.022,319 4.274,320 2.385,321 1.414,322 2.038,324 3.613,325 1.366,326 2.865,327 1.658,328 3.834,329 2.327,330 1.341,331 2.024,333 3.021,334 1.312,335 2.744,336 1.494,337 3.753,338 2.255,339 1.259,340 1.847,342 2.953,343 1.253,344 2.547,345 1.352,346 3.6,347 2.004,348 1.032,349 1.495,350 2.604,351 1,352 1.997,353 1.137,354 3.467,355 1.592,356 0.614,357 0.787,358 1.561,359 0.595,360 1.49,361 1,362 2.944,363 1.205,364 0.223,365 0.267,366 0.516,367 0.215,368 1.035,369 0.734,370 2.453,371 0.647,372 -0.275,373 -0.338,374 -0.634,375 -0.245,376 1,377 0.322,378 2.312,379 0.432,380 -0.538,381 -0.706,382 -1.311,383 -0.514,384 0.906,385 -0.055,386 2,387 0.167,388 -0.825,389 -1.148,390 -2,391 -0.816,392 0.639,393 -0.389,394 2,395 0.119,396 -0.885,397 -1.287,398 -2.095,399 -0.88,400 10.486,401 0.456,402 0.686,403 0.03,404 33.5,405 1.457,406 18.5,407 0.804,408 15,409 0.652,410 14.767,411 0.642,412 24.314,413 0.695,414 26.625,415 1.158,416 6.95,417 0.302,418 4.036,419 0.175,420 0.17,422 0.41,423 1,424 0.43,425 1.035,426 0.577,427 0.959,428 0.499,429 0.869,430 0.582,431 0.971,432 0.669,433 0.873,434 0.491,435 0.81,436 0.857,437 1.093,438 0.838,439 1.003,440 0.748,441 0.932,442 1.098,443 1.062,444 1.123,445 1.081,446 1.072,447 1.104,448 0.816,449 0.988,450 0.962,451 1.083,452 0.794,453 1.08,454 0.961,455 1.142,456 0.96,457 1.064,458 1.019,459 1.032,460 1.12,461 1.097,462 1.013,463 1.193,464 1.12,465 1.088,466 1.907,467 0.815,468 1.66,469 0.788,470 2.004,471 1.045,472 4.5,474 3.556,475 2.063,476 1.661,477 1.024,478 0.839,479 0.447,480 0.094,481 0.031,482 4530,483 17476,484 2.016,485 34.3,487 12,494 1.669,495 1.84,496 2.856,497 -0.686,499 1,501 1,502 62.996,503 1.8,504 3.503,505 4.203,506 4.765,507 4.879,508 4.879,509 2.173,510 4.35,511 4.497,512 2.972,513 752.04,514 7.802,515 8293.45,516 1,517 1,518 1,519 1,520 179.525,521 1.538,522 4.428,523 0.18,525 0.099,526 0.048,527 0.043,528 0.028,529 0.025,530 0.017,531 0.008,532 0.016,533 0.463,534 0.5,535 1,536 0.872,537 103.672,538 0.124,539 -0.051,540 0.05,541 0.006,542 -0.013,543 -0.011,544 0.077,545 -0.008,546 0.09,547 0.083,548 0.108,549 0.097,550 -0.076,551 -0.07,552 -0.031,553 -0.042,554 -0.015,555 -0.024,556 -0.176,557 -0.058,558 -0.237,559 -0.11,560 -0.147,561 -0.174,562 -0.046,563 -0.069,564 -0.015,565 -0.101,566 -0.06,567 -0.062,568 0.064,569 -0.068,570 0.082,571 -0.083,572 -0.043,573 -0.027,574 0.043,575 -0.092,576 0.047,577 -0.244,578 0.054,579 -0.127,580 -0.079,581 0.185,582 -0.324,583 0.19,584 0.032,585 -0.057,586 2.536,587 6.141,588 0.739,589 15.187,590 1.035,591 1.13,592 2.965,593 8.791,594 0.689,595 3.258,596 3.611,597 3.912,598 4.159,599 4.443,600 4.615,601 4.745,602 4.736,603 4.7,604 4.691,605 4.671,606 0.692,607 313.31,608 3.258,609 4.812,610 5.68,611 6.572,612 7.463,613 8.363,614 9.263,615 10.166,616 11.07,617 11.975,618 8.6,623 1,625 1,627 1,632 7,637 5,639 12,640 1,645 1,649 1,650 35,652 16,653 2,654 25,656 37,657 16,658 12,659 5,660 7,661 1,663 3,664 4,674 14,675 2,677 4,678 1,680 3,682 1,683 2,684 1,685 1,686 1,687 12,688 6,690 7,694 3,696 0.667,697 3,709 2,710 1,713 1,720 1,728 2,732 1,734 1,735 23,739 1,744 1,754 1,755 8.6,758 1,761 2,762 12.5,763 6.826,764 5.028,765 1.963,766 2.762,767 1.392,768 0.981,769 3.828,770 9.806,771 3.584,772 4.205,773 4.771,774 5.327,775 5.898,776 6.243,777 6.643,778 6.885,779 7.11,780 7.397,781 0.8,782 43,783 8.548,784 3.798,785 8.333,786 15.375,787 12.482,788 2.833,789 65.167,793 141.253,794 105.303,795 25.58,797 75.892,798 14.96,800 105.303,801 217.145,802 40.54,803 14.066,804 5.23,805 66.334,806 32.606,807 37.791,808 14.96,809 141.253,810 50.747,811 141.253,812 130.883,813 90.852,816 156.213,817 25.145,818 50.747,819 22.016,820 103.197,821 5.67,823 156.213,824 101.472,825 105.303,827 141.253,828 30.573,829 83.524,831 107.637,832 141.253,833 116.432,834 105.303,835 0.593,836 0.357,837 0.184,838 0.106,839 18,840 9,841 0.054,842 2,843 1,844 1.118,845 3.268,846 194.297,847 0.118,848 17,849 102.042,852 15.167,853 5.805,854 2.681,856 110.762,857 10.115,862 0.381,865 362.988,866 35,867 -0.536,869 34.128,871 4.19,872 -0.036,873 36.218,874 39.539,876 0.351,877 0.683,878 0.819,879 0.929,880 0.951,881 0.951,882 4.828,883 1.259,884 5.694,885 3.021,886 4.29,887 4.89,888 3.003,889 6.553,890 4.232,891 6.065,892 1.032,893 7.294,894 2.953,895 4.007,896 4.808,897 2.701,898 7.573,899 3.905,900 7.396,901 0.614,902 8.996,903 2.604,904 5.932,905 7.106,906 4.443,907 10.697,908 5.813,909 8.761,910 0.223,911 10.757,912 1.561,913 6.447,914 7.805,915 4.738,916 12.525,917 6.284,918 10.156,919 -0.275,920 12.554,921 0.516,922 7.877,923 9.604,924 6.122,925 15.185,926 7.698,927 11.571,928 -0.538,929 14.374,930 -0.634,931 8.74,932 10.658,933 6.697,934 17.343,935 8.52,936 13.002,937 -0.825,938 16.212,939 -1.311,940 9.985,941 12.254,942 7.899,943 19.847,944 9.749,945 3.249,946 -0.885,947 18.063,948 -2,949 11.005,950 13.483,951 8.632,952 22.152,953 10.733,954 2.852,955 11.474,956 19.923,957 -2.095,958 12.184,959 14.986,960 9.732,961 24.603,962 11.891,963 2.686,964 9.518,965 21.792,966 4.244,967 13.276,968 16.305,969 10.558,970 26.975,971 12.952,972 2.287,973 8.235,974 23.667,975 3.884,976 14.434,977 17.766,978 11.6,979 29.41,980 14.087,981 1.996,982 7.11,983 25.548,984 3.567,985 15.561,986 19.133,987 12.481,988 31.814,989 15.186,990 1.414,991 5.659,992 27.433,993 2.925,994 16.716,995 20.575,996 13.489,997 34.245,998 16.317,999 1.341,1000 3.613,1001 29.323,1002 2.716,1003 17.861,1004 21.969,1005 14.403,1006 36.665,1007 17.435,1008 4547,1009 9035,1010 16.126,1011 24.125,1012 38.382,1013 40.347,1014 40.198,1015 37.996,1016 37.907,1017 51.586,1018 11.573,1019 112.528,1020 36.79,1021 5.434,1022 5.797,1023 6.565,1024 5.252,1025 5.249,1026 7.244,1027 4.612,1028 19.054,1029 5.164,1030 12.96,1031 1.535,1032 1.614,1033 1.608,1034 1.52,1035 1.516,1036 2.063,1037 0.463,1038 4.501,1039 1.472,1040 4.064,1041 4.091,1042 4.034,1043 3.963,1044 8.201,1045 3.973,1046 3.873,1047 3.9,1048 3.832,1049 3.776,1050 7.815,1051 3.78,1052 3.673,1053 3.712,1054 3.636,1055 3.395,1056 7.427,1057 3.437,1058 3.36,1059 3.386,1060 3.308,1061 3.071,1062 6.999,1063 3.082,1064 3.258,1065 3.337,1066 3.159,1067 2.983,1068 4.81,1069 3.068,1070 2.987,1071 3.048,1072 2.833,1073 2.781,1074 4.597,1075 2.776,1076 2.898,1077 2.957,1078 2.791,1079 2.733,1080 4.338,1081 2.734,1082 2.732,1083 2.795,1084 2.591,1085 2.608,1086 4.001,1087 2.6,1088 0.183,1089 0.152,1090 0.275,1091 0.169,1092 0.13,1093 4.585,1094 0.17,1095 3.797,1096 0.104,1097 6.88,1098 0.459,1099 4.223,1100 0.127,1101 3.249,1102 4.244,1103 2.612,1104 11.474,1105 3.164,1106 1.97,1107 1.949,1108 2.041,1109 2.099,1110 1.176,1111 2.069,1112 1.845,1113 1.819,1114 1.947,1115 1.973,1116 1.033,1117 1.963,1118 1.535,1119 1.485,1120 1.718,1121 1.812,1122 0.829,1123 1.771,1124 1.316,1125 1.272,1126 1.53,1127 1.663,1128 0.616,1129 1.595,1130 1.044,1131 0.978,1132 1.242,1133 1.389,1134 0.346,1135 1.394,1136 0.987,1137 0.929,1138 1.19,1139 1.169,1140 0.176,1141 1.18,1142 0.86,1143 0.804,1144 1.117,1145 1.068,1146 0.155,1147 1.079,1148 0.731,1149 0.68,1150 0.949,1151 0.924,1152 0.014,1153 0.947,1154 3.932,1156 5.273,1158 6.812,1159 2.708,1160 8.44,1161 5.38,1162 10.114,1164 1.562,1166 14.141,1169 -0.15,1174 1.371,1179 24.226,1180 62.996,1181 122.612,1182 147.119,1183 166.77,1184 170.77,1185 170.77,1186 56.39,1187 7.045,1188 78.49,1189 78.49,1190 19,1191 12.494,1192 4.087,1193 3.459,1194 36.324,1195 63,1196 60,1197 0.29,1198 149.291,1199 268.16,1200 356.03,1201 9391,1202 2.9,1203 16.56,1204 0.72,1205 0.53,1206 15.69,1207 12.193,1208 10.986,1209 0.439,1210 0.273,1211 6.704,1212 10.393,1213 6.561,1214 5.422,1215 10.575,1216 6.835,1217 10.148,1218 0.282,1219 0.14,1220 9.621,1221 5.056,1222 8.744,1223 0.178,1224 0.075,1225 8.272,1226 3.683,1227 6.88,1228 0.109,1229 0.039,1230 6.515,1231 2.476,1232 5.736,1233 0.068,1234 0.02,1235 5.47,1236 1.714,1237 0.426,1238 70.335,1239 0.249,1240 21.643,1241 0.893,1242 122,1243 496.253,1244 138.357,1245 448.184,1246 586.14,1247 412,1248 146,1249 420.616,1250 162.383,1251 413.769,1252 602.56,1253 387,1254 8.523}
{0 CHEMBL145970,1 1.609,2 9.24,3 3.463,4 11.994,5 92.086,6 7.691,7 0.552,8 3.924,9 4.041,10 3.532,11 3.467,12 4.997,13 3.462,14 4.471,15 4.65,16 3.892,17 3.862,18 5.534,19 3.83,20 4.707,21 4.923,22 3.967,23 3.971,24 5.748,25 3.926,26 4.774,27 5.013,28 3.952,29 3.945,30 5.881,31 3.895,32 4.689,33 4.913,34 3.797,35 3.895,36 5.678,37 3.82,38 4.655,39 4.905,40 3.69,41 3.809,42 5.626,43 3.73,44 4.502,45 4.723,46 3.702,47 3.681,48 5.729,49 3.627,50 4.4,51 4.628,52 3.406,53 3.551,54 5.501,55 3.479,56 0.047,57 0.761,58 8.663,59 3.964,60 7.574,61 5.026,62 0.273,63 1.242,64 17.061,65 6.567,66 20.26,67 8.835,68 0.236,69 1.501,70 23.503,71 8.429,72 29.548,73 11.472,74 0.563,75 1.554,76 26.899,77 8.615,78 58.315,79 11.76,80 0.358,81 1.4,82 23.851,83 8.364,84 38.537,85 11.374,86 0.409,87 1.243,88 24.385,89 7.868,90 39.781,91 11.001,92 0.398,93 1.184,94 19.928,95 6.843,96 58.963,97 9.323,98 0.444,99 1.057,100 18.707,101 5.774,102 49.149,103 7.352,104 5,105 43,106 0.277,107 0.652,108 0.815,109 0.862,110 0.87,111 0.87,112 3.268,113 0.906,114 -5.01,115 -4.91,116 -4.6,118 43.2,120 3,121 1,124 3,135 4,136 2,137 1,139 2,143 1,152 1,153 1,159 7,161 2,162 8,164 2,166 5,169 4,173 2,175 4,176 5,178 1,179 2,180 3,184 4,186 1,187 5,191 6,193 1,194 1,195 3,198 9,201 2,202 2,204 3,207 2,208 3,211 1,214 2,215 4,216 858,217 17.187,218 17.187,219 17.187,220 17.187,221 17.187,222 15.272,223 14.25,224 9.884,225 17.589,226 14.348,227 14.348,228 14.348,229 14.348,230 14.348,231 11.413,232 15.717,233 4.743,234 15.075,235 3.85,236 1.675,237 0.727,238 0.455,239 0.409,240 0.409,241 3.972,244 1,245 1,246 1,247 525,248 2.449,249 38.144,251 39.96,252 166.398,254 72.404,255 83.845,258 1.469,259 27.691,261 1,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 54.5,271 231,272 4.714,273 3.427,274 6.864,275 4.234,276 3.291,277 4.679,278 0.916,279 11.477,280 3.111,281 4.284,282 3.173,283 6.424,284 3.907,285 2.937,286 3.916,287 0.172,288 9.861,289 2.847,290 3.89,291 2.934,292 5.967,293 3.715,294 2.744,295 3.324,297 8.381,298 2.677,299 3.693,300 2.657,301 5.621,302 3.454,303 2.504,304 2.979,306 7.713,307 2.357,308 3.559,309 2.417,310 5.317,311 3.086,312 2.168,313 2.72,315 6.494,316 1.986,317 3.205,318 2.29,319 5.069,320 2.972,321 2.045,322 2.465,324 6.109,325 1.887,326 3.137,327 2.077,328 4.97,329 2.782,330 1.824,331 2.164,333 5.402,334 1.743,335 2.861,336 1.607,337 4.018,338 2.381,339 1.414,340 2.016,342 3.204,343 1.353,344 2.568,345 1.424,346 3.811,347 2.157,348 1.184,349 1.597,350 2.949,351 1.148,352 2.222,353 0.977,354 3.757,355 1.883,356 0.916,357 1.136,358 2.431,359 0.883,360 2.1,361 0.853,362 3.576,363 1.66,364 0.746,365 1.014,366 2.207,367 0.68,368 1.489,369 0.594,370 3.145,371 1.372,372 0.412,373 0.43,374 1.061,375 0.394,376 1.126,377 0.309,378 2.784,379 0.866,380 -0.072,381 -0.081,382 -0.179,383 -0.067,384 1.035,385 0.101,386 2.607,387 0.677,388 -0.228,389 -0.279,390 -0.517,391 -0.2,392 0.641,393 -0.364,394 2.516,395 0.269,396 -0.678,397 -0.791,398 -1.891,399 -0.638,400 11.719,401 0.469,402 0.657,403 0.026,404 32,405 1.28,406 14.5,407 0.58,408 17.5,409 0.7,410 20.482,411 0.819,412 26.681,413 0.606,414 21.811,415 0.872,416 5.922,417 0.237,418 6.264,419 0.251,420 0.053,422 0.41,423 1,424 0.73,425 1.224,426 0.72,427 1.06,428 0.627,429 0.924,430 0.623,431 1.012,432 0.834,433 0.981,434 0.476,435 0.95,436 0.887,437 1.185,438 0.865,439 1.056,440 0.744,441 0.968,442 0.981,443 0.848,444 0.928,445 0.845,446 0.916,447 0.861,448 0.966,449 1.054,450 1.049,451 1.104,452 0.95,453 1.095,454 0.959,455 0.777,456 0.945,457 0.811,458 0.842,459 0.854,460 0.851,461 1.136,462 0.902,463 1.103,464 0.811,465 1.031,466 1.617,467 0.884,468 1.373,469 0.908,470 1.657,471 1.044,472 5,473 0.054,474 2.944,475 1.75,476 1.736,477 0.848,478 0.625,479 0.295,480 0.211,481 0.097,482 7397,483 17680,484 2.225,485 43.2,486 4,487 10,488 1,490 1,491 2,492 1,494 1.684,495 2.113,496 3.196,497 -0.317,499 1,501 1,502 70.794,503 1.609,504 3.784,505 4.732,506 5.005,507 5.05,508 5.05,509 2.683,510 4.484,511 4.612,512 3.334,513 1000.18,514 8,515 11631.9,517 1,519 1,520 240.215,521 1.311,522 4.59,523 0.172,524 0.006,525 0.074,526 0.042,527 0.043,528 0.025,529 0.02,530 0.01,531 0.01,532 0.007,533 0.409,534 0.5,535 0.88,536 0.477,537 118.364,538 -0.054,539 -0.186,540 0.059,541 -0.036,542 -0.028,543 0.017,544 0.108,545 -0.009,546 0.027,547 -0.016,548 0.094,549 -0.017,550 -0.043,551 -0.201,552 0.067,553 -0.087,554 0.036,555 -0.004,556 0.066,557 0.153,558 0.066,559 0.083,560 0.064,561 0.075,562 -0.043,563 -0.096,564 -0.095,565 -0.135,566 -0.062,567 -0.128,568 -0.068,569 0.056,570 0.044,571 0.131,572 -0.035,573 0.119,574 0.198,575 -0.148,576 0.077,577 -0.136,578 0.249,579 -0.071,580 -0.264,581 0.211,582 -0.354,583 0.03,584 -0.257,585 -0.131,586 1.984,587 6.12,588 0.88,589 21.053,590 1.007,591 1.133,592 3.778,593 14.27,594 0.671,595 3.401,596 3.784,597 4.078,598 4.407,599 4.7,600 4.875,601 5.094,602 5.288,603 5.412,604 5.476,605 5.544,606 0.645,607 338.42,608 3.401,609 4.977,610 5.866,611 6.779,612 7.685,613 8.602,614 9.516,615 10.437,616 11.355,617 12.278,618 9.1,619 1,624 1,626 2,631 1,632 5,633 2,637 6,639 16,647 1,649 1,650 44,652 16,653 1,654 29,656 48,657 19,658 12,659 2,660 4,663 5,664 8,670 3,671 1,672 3,674 12,675 7,676 1,684 1,685 1,686 1,687 19,688 5,689 1,690 6,692 1,694 4,696 0.6,697 1,703 1,706 1,708 1,709 3,711 1,712 1,724 1,728 3,734 1,735 25,738 1,739 6,743 1,744 1,754 1,755 2.3,757 1,762 11.833,763 7.893,764 5.25,765 2.836,766 3.163,767 1.401,768 1.027,769 3.456,770 11.052,771 3.638,772 4.301,773 4.935,774 5.598,775 6.19,776 6.643,777 7.13,778 7.612,779 7.955,780 8.288,781 1,782 42,783 9.328,784 4.222,785 7.74,786 18.053,787 15.969,788 2.24,789 56,792 1,793 211.88,794 83.594,795 37.982,797 42.683,798 14.96,800 83.594,801 254.563,802 52.942,804 13.921,805 46.952,806 77.97,807 25.416,808 26.731,809 200.109,811 211.88,812 121.576,813 57.643,816 215.069,817 54.454,819 25.56,820 62.445,821 33.571,823 226.84,824 80.665,825 83.594,827 211.88,828 36.642,829 51.363,831 91.215,832 211.88,833 95.625,834 83.594,835 0.596,836 0.338,837 0.188,838 0.105,839 25,840 10,841 0.063,842 3,843 2,844 1.182,845 3.775,846 227.029,847 0.182,848 22,849 114.096,852 15.151,853 5.703,854 2.766,855 0.682,856 94.339,857 8.229,858 9.002,862 2.505,864 42.683,865 391.099,866 37,873 44.316,874 49.864,876 0.295,877 0.693,878 0.867,879 0.917,880 0.925,881 0.925,882 4.913,883 1.414,884 5.872,885 5.402,886 4.466,887 4.987,888 0.918,889 6.737,890 4.368,891 6.146,892 1.184,893 7.463,894 3.204,895 4.205,896 4.945,897 0.325,898 7.743,899 4.052,900 7.481,901 0.916,902 9.153,903 2.949,904 6.129,905 7.265,906 0.671,907 10.848,908 5.941,909 8.849,910 0.746,911 10.898,912 2.431,913 6.635,914 8.053,915 0.393,916 12.647,917 6.392,918 10.25,919 0.412,920 12.678,921 2.207,922 8.075,923 9.888,924 0.533,925 15.299,926 7.799,927 11.675,928 -0.072,929 14.483,930 1.061,931 8.927,932 11.07,933 0.384,934 17.44,935 8.595,936 13.119,937 -0.228,938 16.307,939 -0.179,940 10.184,941 12.716,942 0.438,943 19.937,944 9.814,945 3.291,946 -0.678,947 18.144,948 -0.517,949 11.2,950 14.086,951 0.351,952 22.232,953 10.773,954 2.937,955 11.477,956 19.993,957 -1.891,958 12.389,959 15.658,960 0.366,961 24.676,962 11.917,963 2.744,964 9.861,965 21.852,966 4.679,967 13.484,968 17.117,969 0.312,970 27.042,971 12.954,972 2.504,973 8.381,974 23.718,975 3.916,976 14.651,977 18.661,978 0.309,979 29.471,980 14.07,981 2.168,982 7.713,983 25.591,984 3.324,985 15.784,986 20.161,987 0.273,988 31.87,989 15.144,990 2.045,991 6.494,992 27.47,993 2.979,994 16.947,995 21.698,996 0.262,997 34.296,998 16.254,999 1.824,1000 6.109,1001 29.354,1002 2.72,1003 18.1,1004 23.217,1005 0.236,1006 36.711,1007 17.347,1008 6743,1009 10602,1010 19.997,1011 29.506,1012 44.823,1013 45.053,1014 45.906,1015 44.451,1016 44.369,1017 56.881,1018 2.178,1019 134.575,1020 42.135,1021 5.681,1022 5.427,1023 6.549,1024 5.313,1025 5.291,1026 7.679,1027 1.605,1028 18.995,1029 5.111,1030 8.709,1031 1.546,1032 1.554,1033 1.583,1034 1.533,1035 1.53,1036 1.961,1037 0.075,1038 4.641,1039 1.453,1040 4.159,1041 4.204,1042 4.136,1043 4.007,1044 8.201,1045 4.032,1046 3.922,1047 3.974,1048 3.835,1049 3.82,1050 6.477,1051 3.815,1052 3.86,1053 3.894,1054 3.776,1055 3.765,1056 5.004,1057 3.764,1058 3.61,1059 3.676,1060 3.504,1061 3.442,1062 4.625,1063 3.451,1064 3.212,1065 3.274,1066 3.146,1067 2.985,1068 4.419,1069 3.012,1070 3.042,1071 3.117,1072 2.871,1073 2.907,1074 4.286,1075 2.888,1076 2.934,1077 2.996,1078 2.824,1079 2.733,1080 3.979,1081 2.735,1082 2.899,1083 2.957,1084 2.801,1085 2.706,1086 3.624,1087 2.719,1088 0.163,1089 0.118,1090 0.237,1091 0.146,1092 0.113,1093 4.714,1094 0.161,1095 3.427,1096 0.032,1097 6.864,1098 0.396,1099 4.234,1100 0.107,1101 3.291,1102 4.679,1103 0.916,1104 11.477,1105 3.111,1106 1.936,1107 1.893,1108 2.037,1109 2.116,1110 1.337,1111 2.091,1112 1.899,1113 1.876,1114 1.995,1115 1.986,1116 1.084,1117 1.989,1118 1.553,1119 1.487,1120 1.712,1121 1.796,1122 1.033,1123 1.777,1124 1.355,1125 1.304,1126 1.58,1127 1.522,1128 0.836,1129 1.546,1130 1.266,1131 1.202,1132 1.513,1133 1.448,1134 0.825,1135 1.455,1136 1.153,1137 1.064,1138 1.455,1139 1.376,1140 0.63,1141 1.429,1142 1.002,1143 0.929,1144 1.286,1145 1.244,1146 0.452,1147 1.267,1148 0.861,1149 0.804,1150 1.122,1151 1.068,1152 0.242,1153 1.08,1154 4.078,1155 1.946,1156 5.442,1157 3.932,1158 7.006,1159 5.82,1160 8.661,1161 7.689,1162 10.366,1166 14.12,1168 10.283,1169 6.339,1173 0.83,1174 2.441,1179 28.398,1180 70.794,1181 166.5,1182 208.215,1183 220.215,1184 222.215,1185 222.215,1186 38.008,1187 7.889,1188 53.66,1189 53.66,1190 26,1191 12.786,1192 4.087,1193 3.17,1194 31.961,1195 82,1196 83,1197 0.193,1198 167.938,1199 283.14,1200 401.528,1201 27747,1202 2.3,1203 16.966,1204 0.679,1205 0.553,1206 16.096,1207 13.821,1208 12.187,1209 0.42,1210 0.302,1211 8.633,1212 11.701,1213 8.502,1214 6.946,1215 11.776,1216 8.759,1217 11.48,1218 0.267,1219 0.164,1220 10.952,1221 7.065,1222 9.67,1223 0.167,1224 0.084,1225 9.203,1226 4.896,1227 8.436,1228 0.104,1229 0.044,1230 8.032,1231 3.554,1232 7.143,1233 0.066,1234 0.024,1235 6.948,1236 2.626,1237 0.294,1238 76.53,1239 0.224,1240 23.872,1241 0.556,1242 144,1243 424.841,1244 159.204,1245 388.226,1246 536.67,1247 364,1248 176,1249 405.983,1250 192.337,1251 404.435,1252 604.34,1253 382,1254 7.027}
{0 CHEMBL146075,1 1.694,2 12.258,3 4.129,4 17.051,5 110.652,6 8.369,7 0.629,8 4.053,9 4.151,10 3.718,11 3.595,12 5.25,13 3.611,14 4.575,15 4.716,16 4.11,17 3.996,18 5.812,19 3.993,20 4.805,21 4.98,22 4.179,23 4.107,24 5.97,25 4.093,26 4.902,27 5.094,28 4.138,29 4.013,30 6.172,31 4.016,32 4.751,33 4.939,34 4.025,35 3.915,36 5.952,37 3.916,38 4.711,39 4.902,40 4.018,41 3.907,42 5.987,43 3.898,44 4.67,45 4.843,46 4.008,47 3.913,48 6.016,49 3.898,50 4.701,51 4.91,52 3.815,53 3.887,54 5.933,55 3.823,56 0.118,57 0.81,58 8.033,59 4.345,60 13.808,61 4.836,62 0.538,63 1.326,64 16.19,65 7.111,66 31.118,67 8.431,68 0.381,69 1.631,70 22.304,71 9.404,72 43.224,73 11.331,74 0.938,75 1.686,76 28.671,77 9.384,78 101.983,79 10.417,80 0.65,81 1.456,82 23.864,83 8.244,84 69.01,85 9.466,86 0.784,87 1.327,88 23.267,89 7.973,90 70.622,91 9.679,92 0.554,93 1.372,94 20.585,95 8.359,96 74.2,97 9.888,98 0.77,99 1.397,100 23.616,101 8.586,102 92.23,103 10.424,104 10,105 50,106 0.28,107 0.637,108 0.768,109 0.849,110 0.881,111 0.881,112 3.472,113 0.849,114 -4.86,115 -4.77,116 -4.48,118 46,120 1,124 3,135 9,136 3,137 1,139 2,143 1,150 1,152 1,153 1,159 10,161 5,162 8,164 2,166 11,169 4,173 5,175 4,176 13,178 1,179 2,180 1,184 9,186 1,187 1,190 6,191 7,193 1,194 1,195 5,198 5,201 2,202 6,204 8,206 2,207 1,208 6,211 9,215 3,216 1679,217 21.223,218 21.223,219 21.223,220 21.223,221 21.223,222 18.426,223 17.77,224 12.461,225 21.736,226 17.292,227 17.292,228 17.292,229 17.292,230 17.292,231 13.04,232 19.286,233 5.955,234 18.163,235 3.95,236 1.795,237 1.003,238 0.512,239 0.32,240 0.32,241 4.182,245 1,246 1,247 844,248 3.162,251 57.573,252 326.517,254 102.214,255 114.048,258 1.96,259 41.94,262 1,263 1,264 1,265 0.6,266 0.5,267 1,268 1,269 0.87,270 68.5,271 380,272 4.715,273 3.788,274 6.867,275 4.237,276 3.294,277 4.679,278 2.226,279 11.485,280 3.113,281 4.287,282 3.388,283 6.427,284 3.915,285 2.948,286 3.917,287 0.908,288 9.874,289 2.85,290 4.001,291 3.156,292 6.087,293 3.688,294 2.759,295 3.451,296 0.648,297 8.759,298 2.555,299 3.885,300 2.795,301 5.835,302 3.496,303 2.513,304 3.345,305 0.077,306 7.841,307 2.463,308 3.73,309 2.724,310 5.336,311 3.317,312 2.362,313 3.037,315 6.947,316 2.236,317 3.554,318 2.413,319 5.317,320 3.065,321 2.154,322 2.955,324 6.481,325 1.956,326 3.201,327 2.113,328 4.97,329 2.785,330 1.826,331 2.464,333 5.402,334 1.748,335 2.931,336 2.074,337 4.22,338 2.534,339 1.576,340 2.096,342 3.859,343 1.51,344 2.861,345 1.741,346 4.014,347 2.381,348 1.414,349 2.016,350 3.204,351 1.353,352 2.626,353 1.606,354 3.808,355 2.304,356 1.341,357 1.606,358 3.048,359 1.272,360 2.566,361 1.422,362 3.748,363 2.15,364 1.178,365 1.586,366 2.949,367 1.14,368 2.5,369 1.257,370 3.603,371 2,372 1,373 1.5,374 2.428,375 1,376 2.204,377 1,378 3.576,379 1.875,380 0.91,381 1.116,382 2.173,383 0.875,384 2.1,385 0.977,386 3.247,387 1.651,388 0.74,389 1.012,390 2.136,391 0.673,392 1.753,393 0.848,394 3.004,395 1.405,396 0.467,397 0.557,398 1.065,399 0.429,400 14.386,401 0.464,402 0.747,403 0.024,404 43.25,405 1.395,406 22,407 0.71,408 21.25,409 0.685,410 23.504,411 0.758,412 32.414,413 0.648,414 34.208,415 1.103,416 8.802,417 0.284,418 6.295,419 0.203,420 0.066,422 0.368,423 1,424 0.739,425 1.191,426 0.663,427 1.04,428 0.626,429 0.879,430 0.597,431 0.93,432 0.784,433 0.893,434 0.516,435 0.89,436 0.876,437 1.246,438 0.891,439 1.182,440 0.79,441 1.065,442 1.448,443 0.903,444 1.16,445 0.897,446 1.374,447 0.938,448 1.32,449 1.062,450 1.064,451 0.995,452 1.221,453 0.962,454 0.977,455 0.768,456 0.925,457 0.788,458 1.059,459 0.829,460 0.937,461 1.109,462 0.927,463 1.16,464 0.994,465 1.071,466 1.005,467 0.918,468 1.17,469 0.98,470 1.083,471 1.082,472 5.5,473 0.131,474 3.778,475 1.91,476 1.917,477 1.306,478 0.723,479 0.47,480 0.347,481 0.234,482 13700,483 39901,484 2.16,485 38,487 15,488 1,490 1,491 2,494 1.737,495 2.044,496 3.565,497 -0.329,499 1,502 84.685,503 1.694,504 3.849,505 4.641,506 5.132,507 5.324,508 5.324,509 3.06,510 4.696,511 4.921,512 3.729,513 1734.02,514 8.603,515 24423.1,517 1,519 1,520 282.193,521 1.332,522 4.896,523 0.157,524 0.005,525 0.076,526 0.037,527 0.041,528 0.03,529 0.017,530 0.011,531 0.01,532 0.008,533 0.392,534 0.17,535 0.88,536 0.486,537 160.811,538 -0.067,539 -0.192,540 0.043,541 -0.067,542 -0.062,543 -0.004,544 0.194,545 0.07,546 0.028,547 0.05,548 0.081,549 -0.002,550 -0.058,551 -0.25,552 0.004,553 -0.212,554 -0.024,555 -0.112,556 -0.166,557 0.096,558 -0.13,559 0.023,560 -0.148,561 -0.033,562 -0.175,563 -0.082,564 -0.068,565 -0.055,566 -0.132,567 -0.036,568 0.083,569 0.124,570 0.066,571 0.146,572 0.016,573 0.107,574 0.077,575 -0.128,576 0.021,577 -0.176,578 0.122,579 -0.111,580 0.017,581 0.092,582 -0.163,583 0.001,584 -0.012,585 -0.094,586 2.096,587 6.239,588 0.806,589 34.445,590 1.019,591 1.126,592 3.635,593 13.21,594 0.688,595 3.584,596 3.932,597 4.248,598 4.543,599 4.828,600 4.984,601 5.182,602 5.371,603 5.513,604 5.613,605 7.091,606 0.677,607 418.46,608 3.584,609 5.142,610 6.014,611 6.907,612 7.799,613 8.701,614 9.603,615 10.513,616 11.422,617 12.337,618 8,623 1,624 1,626 2,631 1,632 10,633 2,637 7,639 22,647 1,649 1,650 50,652 23,653 2,654 35,656 54,657 23,658 18,659 3,660 9,663 5,664 8,670 1,672 1,674 19,675 4,677 1,680 1,683 1,685 1,686 1,687 19,688 7,689 1,690 8,692 1,694 4,696 0.6,697 3,703 1,708 1,709 4,711 1,712 1,725 1,728 3,734 1,735 31,738 1,739 4,741 1,744 1,754 1,755 6,757 1,758 1,760 1,762 15.167,763 9.06,764 6.694,765 2.938,766 3.937,767 1.47,768 1.008,769 5.143,770 12.315,771 3.871,772 4.514,773 5.141,774 5.76,775 6.342,776 6.728,777 7.197,778 7.675,779 8.031,780 8.369,781 1,782 52,783 11.539,784 5.125,785 7.935,786 21.552,787 18.023,788 2.435,789 75.5,791 1,792 1,793 211.88,794 138.341,795 37.982,797 78.828,798 14.96,800 138.341,801 290.708,802 52.942,804 14.463,805 94.334,806 103.115,807 36.478,808 33.494,809 200.109,811 211.88,812 176.323,813 93.788,816 226.84,817 78.828,819 22.978,820 119.774,821 33.571,823 226.84,824 116.81,825 138.341,827 211.88,828 44.007,829 98.744,831 127.359,832 211.88,833 131.77,834 138.341,835 0.586,836 0.349,837 0.189,838 0.105,839 26,840 11,841 0.074,842 4,843 2,844 1.16,845 4.262,846 293.181,847 0.16,848 25,849 149.58,852 19.677,853 8.102,854 3.783,855 0.446,856 130.484,857 17.326,858 8.814,862 2.375,864 42.683,865 481.991,866 47,869 12.613,872 -0.429,873 50.971,874 56.283,876 0.3,877 0.682,878 0.822,879 0.909,880 0.943,881 0.943,882 5.115,883 1.576,884 6.004,885 5.402,886 4.615,887 5.201,888 2.476,889 6.843,890 4.516,891 6.334,892 1.414,893 7.578,894 3.859,895 4.205,896 5.037,897 1.847,898 7.781,899 4.037,900 7.652,901 1.341,902 9.254,903 3.204,904 6.232,905 7.451,906 3.609,907 10.918,908 6.034,909 9.008,910 1.178,911 10.99,912 3.048,913 6.661,914 8.148,915 3.66,916 12.699,917 6.39,918 10.398,919 1,920 12.765,921 2.949,922 8.148,923 10.028,924 5.029,925 15.353,926 7.849,927 11.813,928 0.91,929 14.566,930 2.428,931 8.962,932 11.142,933 5.398,934 17.485,935 8.593,936 13.247,937 0.74,938 16.387,939 2.173,940 10.238,941 12.807,942 6.539,943 19.978,944 9.834,945 3.294,946 0.467,947 18.222,948 2.136,949 11.236,950 14.134,951 7.079,952 22.268,953 10.766,954 2.948,955 11.485,956 20.069,957 1.065,958 12.431,959 15.712,960 8.087,961 24.709,962 11.919,963 2.759,964 9.874,965 21.925,966 4.679,967 13.516,968 17.146,969 8.727,970 27.071,971 12.942,972 2.513,973 8.759,974 23.789,975 3.917,976 14.686,977 18.692,978 9.654,979 29.496,980 14.063,981 2.362,982 7.841,983 25.659,984 3.451,985 15.814,986 20.179,987 10.356,988 31.893,989 15.131,990 2.154,991 6.947,992 27.535,993 3.345,994 16.978,995 21.715,996 11.234,997 34.317,998 16.243,999 1.826,1000 6.481,1001 29.416,1002 3.037,1003 18.129,1004 23.228,1005 11.973,1006 36.731,1007 17.335,1008 12690,1009 21829,1010 23.868,1011 34.415,1012 53.549,1013 54.479,1014 54.403,1015 53.063,1016 52.962,1017 70.672,1018 7.716,1019 155.301,1020 50.345,1021 5.661,1022 5.788,1023 6.669,1024 5.323,1025 5.294,1026 7.679,1027 3.974,1028 19.005,1029 5.113,1030 12.48,1031 1.53,1032 1.557,1033 1.554,1034 1.516,1035 1.513,1036 2.019,1037 0.22,1038 4.437,1039 1.438,1040 4.157,1041 4.201,1042 4.136,1043 4.004,1044 8.201,1045 4.03,1046 3.911,1047 3.94,1048 3.84,1049 3.844,1050 7.433,1051 3.838,1052 3.876,1053 3.907,1054 3.825,1055 3.79,1056 6.477,1057 3.794,1058 3.677,1059 3.73,1060 3.609,1061 3.472,1062 5.004,1063 3.495,1064 3.368,1065 3.39,1066 3.304,1067 3.122,1068 4.773,1069 3.162,1070 3.167,1071 3.219,1072 3.085,1073 2.96,1074 4.625,1075 2.976,1076 3.042,1077 3.116,1078 2.885,1079 2.906,1080 4.411,1081 2.889,1082 2.972,1083 2.998,1084 2.871,1085 2.737,1086 4.332,1087 2.78,1088 0.135,1089 0.108,1090 0.196,1091 0.121,1092 0.094,1093 4.715,1094 0.134,1095 3.788,1096 0.064,1097 6.867,1098 0.328,1099 4.237,1100 0.089,1101 3.294,1102 4.679,1103 2.226,1104 11.485,1105 3.113,1106 1.933,1107 1.894,1108 2.037,1109 2.115,1110 1.302,1111 2.087,1112 1.902,1113 1.877,1114 2.019,1115 1.992,1116 1.132,1117 2.005,1118 1.899,1119 1.872,1120 1.994,1121 1.985,1122 1.084,1123 1.989,1124 1.508,1125 1.452,1126 1.644,1127 1.777,1128 0.841,1129 1.739,1130 1.308,1131 1.271,1132 1.477,1133 1.517,1134 0.649,1135 1.495,1136 1.229,1137 1.184,1138 1.454,1139 1.452,1140 0.609,1141 1.455,1142 1.067,1143 0.998,1144 1.326,1145 1.3,1146 0.456,1147 1.321,1148 0.886,1149 0.821,1150 1.181,1151 1.098,1152 0.218,1153 1.107,1154 4.263,1156 5.602,1157 2.398,1158 7.143,1159 4.727,1160 8.776,1161 6.88,1162 10.461,1166 14.239,1168 10.355,1169 1.312,1171 5.449,1174 1.585,1179 33.828,1180 84.685,1181 192.444,1182 232.054,1183 256.583,1184 266.193,1185 266.193,1186 58.364,1187 8.379,1188 79.96,1189 79.96,1190 29,1191 12.85,1192 4.585,1193 3.7,1194 43.647,1195 129,1196 147,1197 0.163,1198 202.59,1199 348.46,1200 486.08,1201 55019,1202 2,1203 21.372,1204 0.689,1205 0.533,1206 20.501,1207 16.532,1208 15.097,1209 0.431,1210 0.283,1211 9.733,1212 14.425,1213 9.585,1214 7.872,1215 14.687,1216 9.903,1217 13.754,1218 0.275,1219 0.147,1220 13.226,1221 7.348,1222 12.087,1223 0.175,1224 0.078,1225 11.62,1226 5.355,1227 10.185,1228 0.11,1229 0.04,1230 9.78,1231 3.761,1232 8.532,1233 0.069,1234 0.021,1235 8.336,1236 2.639,1237 0.255,1238 95.442,1239 0.205,1240 29.129,1241 0.446,1242 170,1243 580.312,1244 191.625,1245 530.822,1246 720.96,1247 496,1248 204,1249 531.778,1250 225.985,1251 529.801,1252 784.89,1253 498,1254 6}
{0 CHEMBL146230,1 1.535,2 10.714,3 4.832,4 23.346,5 105.889,6 7.179,7 0.5,8 4.082,9 4.206,10 3.63,11 3.62,12 5.098,13 3.596,14 4.677,15 4.863,16 4.026,17 4.07,18 5.66,19 4.016,20 4.991,21 5.228,22 4.09,23 4.222,24 5.91,25 4.132,26 5.058,27 5.328,28 4.045,29 4.16,30 6.027,31 4.061,32 4.927,33 5.185,34 3.924,35 4.076,36 5.818,37 3.979,38 4.882,39 5.132,40 3.864,41 4.065,42 5.779,43 3.962,44 4.861,45 5.112,46 3.878,47 4.019,48 5.911,49 3.912,50 4.769,51 5.026,52 3.7,53 3.876,54 5.745,55 3.779,56 0.021,57 0.877,58 11.55,59 4.984,60 7.186,61 6.698,62 0.255,63 1.486,64 22.719,65 8.715,66 22.834,67 12.203,68 0.202,69 1.872,70 33.083,71 11.921,72 34.104,73 17.058,74 0.573,75 1.904,76 37.447,77 11.946,78 65.319,79 17.418,80 0.388,81 1.672,82 32.316,83 10.507,84 41.646,85 15.341,86 0.372,87 1.55,88 30.522,89 10.252,90 39.045,91 14.781,92 0.404,93 1.573,94 29.995,95 10.545,96 65.742,97 15.126,98 0.445,99 1.439,100 28.097,101 8.54,102 52.491,103 12.244,104 5,105 46,106 0.255,107 0.588,108 0.757,109 0.834,110 0.857,111 0.857,112 3.375,113 0.962,114 -5.67,115 -5.54,116 -5.16,118 41.5,120 6,121 1,124 3,135 4,136 2,137 1,139 2,143 1,152 1,153 1,159 10,161 2,162 8,164 2,166 11,169 4,173 5,175 4,176 7,178 1,179 2,180 3,184 5,186 1,187 5,191 6,193 1,194 1,195 7,198 9,201 2,202 4,204 9,207 2,208 3,211 4,214 2,215 4,216 1198,217 19.309,218 19.309,219 19.309,220 19.309,221 19.309,222 17.393,223 14.25,224 11.37,225 19.71,226 15.848,227 15.848,228 15.848,229 15.848,230 15.848,231 12.913,232 15.717,233 5.468,234 16.575,235 4.193,236 2.187,237 1.169,238 0.708,239 0.566,240 0.566,241 4.09,245 1,246 1,247 671,248 2.449,251 47.506,252 272.761,254 85.178,255 96.219,258 1.714,259 28.438,262 0.75,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.86,270 60.5,271 300,272 4.714,273 3.426,274 6.864,275 4.234,276 3.29,277 4.679,278 0.916,279 11.477,280 3.11,281 4.284,282 3.172,283 6.424,284 3.905,285 2.935,286 3.916,287 0.172,288 9.861,289 2.845,290 3.883,291 2.915,292 5.966,293 3.626,294 2.675,295 3.324,297 8.363,298 2.565,299 3.602,300 2.593,301 5.534,302 3.42,303 2.455,304 2.979,306 7.478,307 2.343,308 3.548,309 2.411,310 5.317,311 3.085,312 2.166,313 2.616,315 6.488,316 1.986,317 3.204,318 2.245,319 4.996,320 2.975,321 2.04,322 2.464,324 5.919,325 1.896,326 3.119,327 2.076,328 4.97,329 2.783,330 1.824,331 2.14,333 5.402,334 1.744,335 2.861,336 1.607,337 4.018,338 2.41,339 1.416,340 2.016,342 3.204,343 1.405,344 2.568,345 1.441,346 3.811,347 2.381,348 1.414,349 1.597,350 3.043,351 1.353,352 2.424,353 1.418,354 3.758,355 2.156,356 1.183,357 1.423,358 2.949,359 1.147,360 2.216,361 1,362 3.59,363 2,364 1,365 1.13,366 2.43,367 1,368 2.1,369 0.977,370 3.576,371 1.881,372 0.914,373 1.013,374 2.195,375 0.881,376 2,377 0.85,378 3.247,379 1.656,380 0.743,381 1,382 2.136,383 0.677,384 1.374,385 0.463,386 2.975,387 1.18,388 0.236,389 0.255,390 0.607,391 0.221,392 1.093,393 0.305,394 2.717,395 0.738,396 -0.187,397 -0.221,398 -0.435,399 -0.167,400 13.219,401 0.472,402 0.657,403 0.023,404 33.5,405 1.196,406 14.5,407 0.518,408 19,409 0.679,410 26.731,411 0.955,412 30.581,413 0.577,414 23.045,415 0.823,416 5.922,417 0.212,418 7.764,419 0.277,420 0.047,422 0.363,423 1,424 0.728,425 1.259,426 0.789,427 1.115,428 0.624,429 0.993,430 0.595,431 1.033,432 0.865,433 1.026,434 0.454,435 0.995,436 0.779,437 1.148,438 0.893,439 1.094,440 0.649,441 1.024,442 0.867,443 0.873,444 0.89,445 0.887,446 0.792,447 0.886,448 0.95,449 0.948,450 0.937,451 0.93,452 0.87,453 0.924,454 0.93,455 0.833,456 0.991,457 0.902,458 0.788,459 0.94,460 0.69,461 1.043,462 0.875,463 1.073,464 0.654,465 1.02,466 1.341,467 0.951,468 1.135,469 0.907,470 1.339,471 0.964,472 5,473 0.103,474 2.889,475 1.91,476 1.797,477 0.855,478 0.735,479 0.388,480 0.272,481 0.173,482 10123,483 22270,484 2.2,485 47.2,486 10,487 10,488 1,490 1,491 2,492 1,494 1.713,495 2.1,496 3.392,497 -0.358,502 81.376,503 1.535,504 3.541,505 4.559,506 5.02,507 5.162,508 5.162,509 2.867,510 4.45,511 4.775,512 3.531,513 1334.87,514 8.319,515 17095.1,517 1,520 303.58,521 1.264,522 4.757,523 0.156,524 0.006,525 0.063,526 0.041,527 0.042,528 0.022,529 0.02,530 0.011,531 0.009,532 0.008,533 0.377,534 0.5,535 0.75,536 0.444,537 139.077,538 -0.034,539 -0.169,540 0.063,541 -0.03,542 -0.011,543 0.018,544 0.123,545 -0.002,546 0.034,547 -0.012,548 0.105,549 -0.011,550 -0.002,551 -0.186,552 0.049,553 -0.099,554 0.065,555 -0.031,556 0.114,557 0.076,558 0.109,559 0.047,560 0.103,561 0.069,562 -0.014,563 -0.005,564 0.046,565 0.024,566 -0.021,567 0.043,568 -0.063,569 0.044,570 -0.027,571 0.056,572 -0.02,573 0.03,574 0.206,575 -0.109,576 0.095,577 -0.086,578 0.243,579 -0.028,580 -0.132,581 0.07,582 -0.116,583 0.025,584 -0.146,585 -0.027,586 1.98,587 6.23,588 0.893,589 27.27,590 0.999,591 1.134,592 4.44,593 19.717,594 0.656,595 3.497,596 3.85,597 4.174,598 4.5,599 4.787,600 4.934,601 5.153,602 5.357,603 5.505,604 5.609,605 6.265,606 0.622,607 380.51,608 3.497,609 5.056,610 5.932,611 6.832,612 7.727,613 8.636,614 9.541,615 10.455,616 11.367,617 12.286,618 7.5,619 1,624 1,626 2,631 1,632 5,633 2,637 6,639 16,647 1,649 1,650 53,652 16,653 1,654 32,656 57,657 22,658 12,659 2,660 4,663 5,664 8,670 6,671 1,672 6,674 12,675 10,676 1,686 1,687 25,688 5,689 1,690 6,692 1,694 4,696 0.6,697 1,703 1,708 1,709 4,711 1,712 1,724 1,728 3,734 1,735 28,738 1,739 9,743 1,744 1,754 1,755 1.9,757 1,762 13.333,763 9.393,764 6,765 3.586,766 3.141,767 1.381,768 1.005,769 4.716,770 11.377,771 3.714,772 4.341,773 4.978,774 5.627,775 6.211,776 6.654,777 7.138,778 7.619,779 7.967,780 8.306,781 1,782 47,783 10.468,784 4.655,785 7.661,786 20.503,787 17.969,788 2.161,789 60.5,791 1,792 1,793 282.506,794 91.198,795 37.982,797 42.683,798 14.96,800 91.198,801 325.19,802 52.942,804 21.524,805 46.952,806 77.97,807 25.416,808 26.731,809 270.735,811 282.506,812 129.18,813 57.643,816 285.695,817 54.454,819 33.164,820 62.445,821 33.571,823 297.467,824 80.665,825 91.198,827 282.506,828 44.245,829 51.363,831 91.215,832 282.506,833 95.625,834 91.198,835 0.586,836 0.348,837 0.196,838 0.11,839 25,840 10,841 0.053,842 3,843 2,844 1.16,845 4.005,846 260.494,847 0.16,848 25,849 130.606,852 17.934,853 7.363,854 3.404,855 0.689,856 94.339,857 8.277,858 9.106,862 2.538,864 42.683,865 469.329,866 40,873 52.967,874 60.11,876 0.268,877 0.618,878 0.796,879 0.876,880 0.901,881 0.901,882 4.977,883 1.416,884 5.922,885 5.402,886 4.533,887 5.027,888 0.918,889 6.765,890 4.441,891 6.178,892 1.414,893 7.494,894 3.204,895 4.111,896 4.902,897 0.325,898 7.695,899 3.942,900 7.495,901 1.183,902 9.167,903 3.043,904 6.151,905 7.272,906 0.671,907 10.845,908 5.967,909 8.85,910 1,911 10.901,912 2.949,913 6.567,914 8.037,915 0.393,916 12.625,917 6.305,918 10.243,919 0.914,920 12.674,921 2.43,922 8.066,923 9.887,924 0.533,925 15.289,926 7.787,927 11.663,928 0.743,929 14.475,930 2.195,931 8.876,932 11.064,933 0.384,934 17.427,935 8.523,936 13.105,937 0.236,938 16.296,939 2.136,940 10.16,941 12.714,942 0.438,943 19.929,944 9.78,945 3.29,946 -0.187,947 18.132,948 0.607,949 11.159,950 14.084,951 0.351,952 22.225,953 10.711,954 2.935,955 11.477,956 19.981,957 -0.435,958 12.361,959 15.657,960 0.366,961 24.671,962 11.874,963 2.675,964 9.861,965 21.84,966 4.679,967 13.45,968 17.116,969 0.312,970 27.038,971 12.899,972 2.455,973 8.363,974 23.707,975 3.916,976 14.624,977 18.661,978 0.309,979 29.468,980 14.026,981 2.166,982 7.478,983 25.581,984 3.324,985 15.756,986 20.161,987 0.273,988 31.867,989 15.096,990 2.04,991 6.488,992 27.461,993 2.979,994 16.924,995 21.698,996 0.262,997 34.294,998 16.211,999 1.824,1000 5.919,1001 29.346,1002 2.616,1003 18.077,1004 23.217,1005 0.236,1006 36.71,1007 17.305,1008 9320,1009 14111,1010 22.076,1011 34.79,1012 48.79,1013 49.176,1014 49.593,1015 48.696,1016 48.584,1017 61.104,1018 2.178,1019 143.098,1020 46.349,1021 5.714,1022 5.426,1023 6.666,1024 5.312,1025 5.29,1026 7.679,1027 1.605,1028 18.995,1029 5.11,1030 9.507,1031 1.525,1032 1.537,1033 1.55,1034 1.522,1035 1.518,1036 1.91,1037 0.068,1038 4.472,1039 1.448,1040 4.158,1041 4.204,1042 4.136,1043 4.007,1044 8.201,1045 4.032,1046 3.901,1047 3.955,1048 3.829,1049 3.804,1050 6.477,1051 3.803,1052 3.861,1053 3.897,1054 3.75,1055 3.759,1056 5.004,1057 3.751,1058 3.635,1059 3.704,1060 3.527,1061 3.46,1062 4.625,1063 3.47,1064 3.3,1065 3.372,1066 3.192,1067 3.139,1068 4.413,1069 3.132,1070 3.127,1071 3.206,1072 3.002,1073 2.941,1074 4.278,1075 2.932,1076 3.111,1077 3.184,1078 2.871,1079 2.929,1080 4.031,1081 2.91,1082 3.037,1083 3.113,1084 2.866,1085 2.879,1086 3.627,1087 2.88,1088 0.147,1089 0.107,1090 0.215,1091 0.132,1092 0.103,1093 4.714,1094 0.146,1095 3.426,1096 0.029,1097 6.864,1098 0.359,1099 4.234,1100 0.097,1101 3.29,1102 4.679,1103 0.916,1104 11.477,1105 3.11,1106 1.952,1107 1.906,1108 2.124,1109 2.125,1110 1.521,1111 2.113,1112 1.9,1113 1.876,1114 2.015,1115 2.02,1116 1.309,1117 2.034,1118 1.868,1119 1.817,1120 1.994,1121 1.985,1122 1.084,1123 1.989,1124 1.512,1125 1.446,1126 1.678,1127 1.758,1128 0.958,1129 1.743,1130 1.324,1131 1.272,1132 1.566,1133 1.492,1134 0.836,1135 1.516,1136 1.25,1137 1.178,1138 1.513,1139 1.443,1140 0.825,1141 1.455,1142 1.153,1143 1.064,1144 1.455,1145 1.376,1146 0.64,1147 1.429,1148 1.019,1149 0.941,1150 1.314,1151 1.261,1152 0.494,1153 1.289,1154 4.174,1156 5.517,1157 2.398,1158 7.064,1159 4.727,1160 8.705,1161 6.88,1162 10.397,1166 14.23,1168 10.388,1169 10.406,1173 0.783,1174 2.495,1179 32.979,1180 81.376,1181 187.65,1182 241.606,1183 266.07,1184 273.58,1185 273.58,1186 45.746,1187 8.236,1188 53.66,1189 53.66,1190 29,1191 12.797,1192 4.087,1193 3.17,1194 37.58,1195 104,1196 112,1197 0.177,1198 196.715,1199 335.04,1200 471.744,1201 44520,1202 1.9,1203 19.087,1204 0.682,1205 0.569,1206 18.217,1207 15.942,1208 13.687,1209 0.428,1210 0.321,1211 10.133,1212 13.201,1213 9.973,1214 8.196,1215 13.276,1216 10.259,1217 12.541,1218 0.273,1219 0.177,1220 12.013,1221 8.126,1222 10.987,1223 0.172,1224 0.097,1225 10.52,1226 6.212,1227 9.623,1228 0.108,1229 0.053,1230 9.219,1231 4.742,1232 8.126,1233 0.068,1234 0.03,1235 7.931,1236 3.572,1237 0.274,1238 85.53,1239 0.213,1240 26.487,1241 0.499,1242 156,1243 436.841,1244 171.204,1245 400.711,1246 553.95,1247 376,1248 188,1249 417.983,1250 204.337,1251 416.919,1252 621.61,1253 394,1254 6.636}
{0 CHEMBL146302,1 1.739,2 10.8,3 3.772,4 14.231,5 104.805,6 8.835,7 0.647,8 3.98,9 4.077,10 3.686,11 3.546,12 5.231,13 3.568,14 4.496,15 4.634,16 4.101,17 3.954,18 5.775,19 3.965,20 4.759,21 4.93,22 4.214,23 4.07,24 6.049,25 4.081,26 4.831,27 5.011,28 4.199,29 4.003,30 6.301,31 4.022,32 4.725,33 4.908,34 4.038,35 3.949,36 5.975,37 3.946,38 4.711,39 4.9,40 3.994,41 3.943,42 6.003,43 3.923,44 4.665,45 4.864,46 3.986,47 3.877,48 6.027,49 3.86,50 4.561,51 4.767,52 3.852,53 3.727,54 5.968,55 3.711,56 0.153,57 0.835,58 6.272,59 3.93,60 19.181,61 4.078,62 0.41,63 1.378,64 12.586,65 6.455,66 26.062,67 7.177,68 0.521,69 1.741,70 19.701,71 8.79,72 62.275,73 9.729,74 1.063,75 1.798,76 23.691,77 8.705,78 139.025,79 8.955,80 0.723,81 1.567,82 20.976,83 8.138,84 94.852,85 8.639,86 0.799,87 1.533,88 21.56,89 8.455,90 95.452,91 9.246,92 0.679,93 1.493,94 21.101,95 8.622,96 94.799,97 10.228,98 0.818,99 1.395,100 19.743,101 7.079,102 98.834,103 8.29,104 17,105 50,106 0.292,107 0.65,108 0.76,109 0.833,110 0.877,111 0.898,112 3.441,113 0.83,114 -5.38,115 -5.26,116 -4.92,118 47.8,120 1,124 2,135 8,136 3,137 2,139 2,143 1,149 1,152 1,153 1,159 8,161 3,162 9,164 2,166 9,169 4,173 4,175 4,176 11,178 1,179 2,180 3,184 6,186 1,187 3,190 3,191 6,193 1,194 1,195 7,198 6,201 2,202 4,204 10,206 1,207 2,208 3,211 5,214 1,215 3,216 1422,217 20.361,218 20.361,219 20.361,220 20.361,221 20.361,222 17.574,223 15.916,224 11.715,225 20.796,226 16.76,227 16.76,228 16.76,229 16.76,230 16.76,231 12.525,232 16.176,233 5.546,234 17.542,235 3.785,236 1.653,237 1,238 0.565,239 0.304,240 0.174,241 4.149,245 1,246 1,247 717,248 2.915,251 52.593,252 297.447,254 93.659,255 104.488,258 1.68,259 50.442,262 1,263 1,264 1,265 0.4,267 1,268 1,269 0.77,270 67,271 324,272 4.716,273 3.743,274 6.87,275 4.243,276 3.298,277 4.679,278 1.23,279 11.493,280 3.125,281 4.368,282 3.389,283 6.576,284 4.03,285 3.055,286 3.944,287 0.521,288 10.281,289 2.971,290 4.277,291 3.158,292 6.419,293 3.882,294 2.91,295 3.912,297 9.831,298 2.825,299 3.874,300 2.938,301 5.96,302 3.487,303 2.551,304 3.327,306 8.283,307 2.377,308 3.599,309 2.725,310 5.585,311 3.205,312 2.255,313 2.984,315 7.09,316 2.132,317 3.539,318 2.412,319 5.317,320 3.061,321 2.148,322 2.835,324 6.478,325 1.953,326 3.201,327 2.097,328 4.97,329 2.785,330 1.826,331 2.464,333 5.402,334 1.747,335 2.872,336 2.073,337 4.438,338 2.483,339 1.507,340 2.029,342 4.085,343 1.466,344 2.861,345 1.662,346 4.019,347 2.381,348 1.414,349 2.016,350 3.204,351 1.353,352 2.814,353 1.606,354 3.813,355 2.379,356 1.414,357 1.9,358 3.006,359 1.347,360 2.568,361 1.422,362 3.769,363 2.156,364 1.183,365 1.597,366 2.949,367 1.148,368 2.352,369 1.314,370 3.65,371 1.9,372 0.924,373 1.213,374 2.433,375 0.897,376 2.185,377 0.977,378 3.576,379 1.816,380 0.806,381 1.054,382 2.247,383 0.806,384 2.1,385 0.848,386 3.49,387 1.642,388 0.722,389 1.001,390 1.898,391 0.662,392 1.238,393 0.414,394 2.835,395 0.91,396 -0.018,397 -0.021,398 -0.044,399 -0.016,400 13.838,401 0.461,402 0.819,403 0.027,404 42.5,405 1.417,406 22,407 0.733,408 20.5,409 0.683,410 22.58,411 0.753,412 31.162,413 0.677,414 34.348,415 1.145,416 8.594,417 0.286,418 5.93,419 0.198,420 0.089,422 0.419,423 2,424 0.651,425 1.051,426 0.614,427 0.967,428 0.581,429 0.833,430 0.572,431 0.937,432 0.704,433 0.922,434 0.537,435 0.876,436 0.924,437 1.169,438 0.857,439 1.099,440 0.842,441 0.986,442 1.161,443 0.903,444 1.109,445 0.932,446 1.204,447 0.977,448 1.131,449 0.967,450 1.118,451 0.995,452 1.128,453 1.027,454 1.06,455 0.903,456 1.113,457 0.918,458 1.061,459 1,460 0.824,461 1.035,462 0.857,463 1.076,464 0.815,465 1.01,466 0.92,467 0.839,468 1,469 0.907,470 0.96,471 0.961,472 5.5,473 0.136,474 4.222,475 2.597,476 2.148,477 1.146,478 0.802,479 0.578,480 0.327,481 0.293,482 11633,483 37496,484 2.145,485 34.8,487 12,488 1,490 1,491 2,494 1.731,495 2,496 3.409,497 -0.316,499 1,502 79.976,503 1.739,504 3.871,505 4.524,506 4.958,507 5.219,508 5.35,509 2.857,510 4.774,511 4.878,512 3.55,513 1544.26,514 8.527,515 20644.2,517 1,519 1,520 254.084,521 1.429,522 4.837,523 0.162,524 0.006,525 0.084,526 0.048,527 0.043,528 0.026,529 0.019,530 0.014,531 0.009,532 0.01,533 0.423,534 0.33,535 0.88,536 0.551,537 151.92,538 -0.063,539 -0.141,540 0.027,541 -0.032,542 -0.054,543 0.01,544 0.082,545 -0.011,546 0.04,547 -0.005,548 0.032,549 -0.006,550 -0.089,551 -0.211,552 0.031,553 -0.146,554 -0.03,555 -0.047,556 -0.023,557 0.107,558 -0.13,559 -0.012,560 -0.036,561 -0.085,562 -0.175,563 -0.052,564 -0.169,565 -0.057,566 -0.17,567 -0.091,568 -0.08,569 0.038,570 -0.138,571 0.046,572 -0.102,573 -0.035,574 0.088,575 -0.112,576 0.15,577 -0.08,578 0.089,579 0.016,580 0.116,581 0.146,582 0.034,583 0.058,584 0.044,585 0.023,586 2.245,587 6.221,588 0.833,589 28.693,590 1.028,591 1.13,592 4.15,593 17.22,594 0.699,595 3.555,596 3.932,597 4.277,598 4.585,599 4.86,600 5.017,601 5.231,602 5.442,603 5.595,604 5.714,605 6.391,606 0.695,607 406.42,608 3.555,609 5.13,610 6.019,611 6.927,612 7.832,613 8.746,614 9.658,615 10.577,616 11.494,617 12.415,618 8.7,623 1,624 1,626 2,631 1,632 9,633 2,637 8,639 22,642 1,647 1,649 2,650 46,652 23,653 2,654 34,656 50,657 22,658 18,659 4,660 8,661 1,663 5,664 8,670 1,672 1,674 19,675 3,677 1,680 1,683 1,685 1,686 2,687 16,688 7,689 1,690 8,692 1,694 4,696 0.6,697 2,703 1,708 1,709 4,711 1,712 1,728 3,734 2,735 30,738 1,739 3,744 1,754 2,755 4.3,757 1,758 1,762 15,763 8.452,764 6.417,765 2.738,766 4.06,767 1.485,768 1.028,769 4.485,770 12.436,771 3.85,772 4.525,773 5.187,774 5.816,775 6.384,776 6.776,777 7.247,778 7.729,779 8.101,780 8.481,781 1,782 54,783 11.229,784 5.14,785 8.106,786 20.622,787 17.514,788 2.606,789 78.167,792 1,793 176.567,794 131.336,795 37.982,797 67.828,798 29.92,800 131.336,801 244.395,802 67.902,804 9.87,805 84.857,806 107.819,807 34.599,808 41.691,809 164.795,811 176.567,812 169.317,813 97.748,816 206.487,817 67.828,819 18.386,820 117.361,821 33.571,823 206.487,824 105.81,825 131.336,827 176.567,828 46.478,829 89.268,831 131.32,832 176.567,833 135.73,834 131.336,835 0.595,836 0.364,837 0.2,838 0.108,839 27,840 12,841 0.04,842 2,843 2,844 1.16,845 4.048,846 290.28,847 0.16,848 25,849 147.207,852 18.712,853 7.19,854 3.155,855 0.391,856 134.444,857 13.566,858 8.741,862 0.63,864 42.683,865 443.632,866 46,869 12.844,872 -0.425,873 47.272,874 51.998,876 0.315,877 0.701,878 0.819,879 0.898,880 0.945,881 0.969,882 5.109,883 1.507,884 6.028,885 5.402,886 4.615,887 5.212,888 1.487,889 6.903,890 4.524,891 6.348,892 1.414,893 7.629,894 4.085,895 4.29,896 5.121,897 0.325,898 7.906,899 4.13,900 7.683,901 1.414,902 9.33,903 3.204,904 6.271,905 7.499,906 1.615,907 11.053,908 6.095,909 9.055,910 1.183,911 11.09,912 3.006,913 6.77,914 8.25,915 0.74,916 12.868,917 6.53,918 10.461,919 0.924,920 12.885,921 2.949,922 8.231,923 10.105,924 1.853,925 15.533,926 7.971,927 11.89,928 0.806,929 14.705,930 2.433,931 9.094,932 11.25,933 1.168,934 17.676,935 8.778,936 13.338,937 0.722,938 16.542,939 2.247,940 10.36,941 12.899,942 2.14,943 20.175,944 10.016,945 3.298,946 -0.018,947 18.392,948 1.898,949 11.387,950 14.236,951 1.605,952 22.463,953 10.99,954 3.055,955 11.493,956 20.251,957 -0.044,958 12.58,959 15.802,960 2.456,961 24.901,962 12.147,963 2.91,964 10.281,965 22.118,966 4.679,967 13.681,968 17.235,969 2.049,970 27.255,971 13.197,972 2.551,973 9.831,974 23.991,975 3.944,976 14.85,977 18.771,978 2.793,979 29.675,980 14.324,981 2.255,982 8.283,983 25.869,984 3.912,985 15.985,986 20.252,987 2.494,988 32.061,989 15.408,990 2.148,991 7.09,992 27.751,993 3.327,994 17.148,995 21.779,996 3.145,997 34.477,998 16.524,999 1.826,1000 6.478,1001 29.637,1002 2.984,1003 18.299,1004 23.285,1005 2.938,1006 36.88,1007 17.625,1008 10833,1009 19580,1010 22.887,1011 32.137,1012 52.768,1013 53.933,1014 54.553,1015 52.219,1016 52.025,1017 69.909,1018 3.503,1019 157.359,1020 49.617,1021 5.661,1022 5.743,1023 6.555,1024 5.322,1025 5.298,1026 7.679,1027 2.335,1028 19.016,1029 5.125,1030 14.07,1031 1.552,1032 1.586,1033 1.605,1034 1.536,1035 1.53,1036 2.056,1037 0.103,1038 4.628,1039 1.459,1040 4.159,1041 4.203,1042 4.138,1043 4.008,1044 8.203,1045 4.033,1046 3.933,1047 3.959,1048 3.893,1049 3.848,1050 8.199,1051 3.853,1052 3.867,1053 3.897,1054 3.82,1055 3.782,1056 7.427,1057 3.787,1058 3.635,1059 3.696,1060 3.551,1061 3.458,1062 6.477,1063 3.473,1064 3.271,1065 3.311,1066 3.224,1067 3.07,1068 5.003,1069 3.102,1070 3.081,1071 3.125,1072 3.016,1073 2.919,1074 4.626,1075 2.907,1076 3.032,1077 3.085,1078 2.871,1079 2.842,1080 4.623,1081 2.866,1082 2.9,1083 2.958,1084 2.823,1085 2.733,1086 4.388,1087 2.735,1088 0.139,1089 0.11,1090 0.202,1091 0.125,1092 0.097,1093 4.716,1094 0.138,1095 3.743,1096 0.036,1097 6.87,1098 0.338,1099 4.243,1100 0.092,1101 3.298,1102 4.679,1103 1.23,1104 11.493,1105 3.125,1106 1.95,1107 1.914,1108 2.041,1109 2.121,1110 1.307,1111 2.095,1112 1.9,1113 1.877,1114 1.995,1115 1.99,1116 1.084,1117 1.99,1118 1.87,1119 1.842,1120 1.966,1121 1.977,1122 1.053,1123 1.973,1124 1.495,1125 1.436,1126 1.641,1127 1.739,1128 0.841,1129 1.718,1130 1.301,1131 1.256,1132 1.457,1133 1.465,1134 0.645,1135 1.458,1136 1.144,1137 1.097,1138 1.354,1139 1.372,1140 0.466,1141 1.375,1142 0.941,1143 0.89,1144 1.167,1145 1.168,1146 0.24,1147 1.162,1148 0.861,1149 0.805,1150 1.121,1151 1.068,1152 0.179,1153 1.08,1154 4.234,1156 5.595,1157 2.398,1158 7.16,1159 4.727,1160 8.818,1161 6.88,1162 10.524,1166 28.302,1168 10.334,1169 0.887,1174 1.525,1179 31.969,1180 79.976,1181 178.045,1182 208.084,1183 228.084,1184 240.084,1185 246.084,1186 67.156,1187 8.376,1188 70.73,1189 70.73,1190 29,1191 12.924,1192 4.585,1193 3.7,1194 41.471,1195 114,1196 110,1197 0.178,1198 190.2,1199 328.44,1200 455.847,1201 52251,1202 4.3,1203 20.828,1204 0.694,1205 0.524,1206 19.087,1207 15.718,1208 14.525,1209 0.427,1210 0.277,1211 9.25,1212 13.868,1213 9.131,1214 7.466,1215 13.704,1216 9.412,1217 13.48,1218 0.27,1219 0.142,1220 12.425,1221 7.093,1222 12.124,1223 0.171,1224 0.074,1225 11.197,1226 5.283,1227 10.411,1228 0.107,1229 0.039,1230 9.576,1231 3.773,1232 8.532,1233 0.067,1234 0.021,1235 8.127,1236 2.67,1237 0.275,1238 91.965,1239 0.209,1240 27.886,1241 0.505,1242 168,1243 622.688,1244 189.582,1245 550.473,1246 740.09,1247 512,1248 205,1249 542.657,1250 227.322,1251 535.265,1252 796.55,1253 505,1254 6.461}
{0 CHEMBL146317,1 1.694,2 12.129,3 3.551,4 12.606,5 111.051,6 8.369,7 0.629,8 4.053,9 4.151,10 3.718,11 3.595,12 5.259,13 3.611,14 4.573,15 4.718,16 4.115,17 3.996,18 5.779,19 4,20 4.796,21 4.959,22 4.219,23 4.129,24 6.011,25 4.125,26 4.892,27 5.074,28 4.179,29 4.096,30 6.191,31 4.086,32 4.832,33 5.035,34 4.035,35 4.044,36 5.977,37 4.004,38 4.774,39 4.979,40 4.011,41 4.005,42 5.972,43 3.956,44 4.703,45 4.899,46 4.023,47 3.928,48 6.012,49 3.905,50 4.655,51 4.847,52 3.858,53 3.81,54 5.955,55 3.797,56 0.118,57 0.81,58 8.033,59 4.345,60 12.915,61 4.836,62 0.445,63 1.327,64 16.413,65 7.085,66 26.456,67 8.3,68 0.407,69 1.637,70 21.628,71 9.117,72 42.19,73 10.681,74 0.809,75 1.754,76 26.286,77 9.463,78 91.357,79 10.685,80 0.63,81 1.602,82 25.823,83 9.439,84 73.549,85 11.505,86 0.731,87 1.43,88 24.817,89 9.244,90 68.434,91 11.924,92 0.534,93 1.421,94 22.377,95 8.823,96 71.432,97 11.117,98 0.792,99 1.342,100 22.446,101 7.316,102 95.331,103 8.043,104 18,105 51,106 0.28,107 0.652,108 0.79,109 0.856,110 0.872,111 0.872,112 3.472,113 0.843,114 -4.73,115 -4.64,116 -4.36,118 46,120 1,123 1,124 2,135 8,136 3,137 2,139 2,143 1,149 1,152 1,153 1,159 8,161 3,162 11,164 2,166 9,169 8,173 4,175 4,176 12,178 1,179 2,180 3,184 4,186 1,187 5,190 5,191 6,193 1,194 1,195 7,198 9,201 2,202 2,204 12,206 1,207 2,208 3,211 2,214 2,215 4,216 1619,217 21.179,218 21.179,219 21.179,220 21.179,221 21.179,222 18.472,223 18.602,224 12.141,225 21.741,226 17.187,227 17.187,228 17.187,229 17.187,230 17.187,231 12.963,232 19.679,233 5.677,234 18.052,235 3.95,236 1.701,237 0.87,238 0.47,239 0.375,240 0.375,241 4.181,245 1,246 1,247 832,248 3.082,251 56.969,252 316.284,254 101.124,255 112.496,258 1.827,259 42.38,262 1,263 1,264 1,265 0.6,266 0.5,267 1,268 1,269 0.87,270 68.5,271 376,272 4.716,273 3.714,274 6.869,275 4.241,276 3.296,277 4.679,278 1.23,279 11.49,280 3.121,281 4.302,282 3.383,283 6.444,284 3.972,285 2.996,286 3.917,287 0.86,288 9.928,289 2.923,290 4.241,291 3.155,292 6.372,293 3.859,294 2.884,295 3.795,296 0.521,297 9.611,298 2.81,299 3.881,300 2.833,301 5.929,302 3.485,303 2.542,304 3.333,306 8.165,307 2.385,308 3.741,309 2.744,310 5.378,311 3.332,312 2.382,313 3.119,315 6.936,316 2.252,317 3.558,318 2.413,319 5.317,320 3.071,321 2.158,322 2.973,324 6.486,325 1.964,326 3.205,327 2.158,328 5.085,329 2.858,330 1.916,331 2.465,333 5.895,334 1.799,335 3.16,336 2.076,337 4.97,338 2.781,339 1.823,340 2.301,342 5.402,343 1.74,344 2.861,345 1.938,346 4.022,347 2.381,348 1.414,349 2.016,350 3.204,351 1.353,352 2.568,353 1.606,354 3.832,355 2.161,356 1.186,357 1.598,358 2.949,359 1.152,360 2.5,361 1.422,362 3.792,363 2,364 1,365 1.5,366 2.481,367 1,368 2.417,369 1.066,370 3.671,371 1.979,372 0.981,373 1.289,374 2.4,375 0.965,376 2.191,377 1,378 3.576,379 1.86,380 0.886,381 1.081,382 2.275,383 0.858,384 2.1,385 0.977,386 3.414,387 1.646,388 0.734,389 1.007,390 2.078,391 0.667,392 1.64,393 0.848,394 2.863,395 1.332,396 0.445,397 0.511,398 0.691,399 0.39,400 14.386,401 0.464,402 0.798,403 0.026,404 43.75,405 1.411,406 22.5,407 0.726,408 21.25,409 0.685,410 23.644,411 0.763,412 32.414,413 0.648,414 35.258,415 1.137,416 8.86,417 0.286,418 6.186,419 0.2,420 0.101,422 0.403,423 1,424 0.739,425 1.191,426 0.663,427 1.04,428 0.627,429 0.879,430 0.736,431 0.927,432 0.749,433 0.842,434 0.563,435 0.807,436 0.954,437 1.221,438 0.886,439 1.101,440 0.841,441 0.996,442 1.226,443 0.977,444 1.151,445 0.998,446 1.364,447 1.038,448 1.032,449 1.003,450 1.065,451 1.014,452 1.172,453 1.034,454 0.653,455 0.82,456 0.878,457 0.895,458 0.748,459 0.937,460 0.748,461 1.114,462 0.779,463 1.105,464 0.769,465 0.988,466 1.494,467 0.929,468 1.257,469 0.839,470 1.415,471 0.94,472 6,473 0.162,474 4.222,475 2.347,476 2.108,477 1.264,478 0.904,479 0.543,480 0.325,481 0.31,482 13052,483 39085,484 2.14,485 38,487 15,488 1,490 1,491 2,494 1.738,495 2,496 3.545,497 -0.329,499 1,502 84.685,503 1.694,504 3.943,505 4.774,506 5.174,507 5.269,508 5.269,509 3.06,510 4.696,511 4.921,512 3.678,513 1710.43,514 8.609,515 23648.3,517 1,519 1,520 282.193,521 1.418,522 4.886,523 0.171,524 0.007,525 0.083,526 0.043,527 0.042,528 0.029,529 0.021,530 0.013,531 0.009,532 0.011,533 0.428,534 0.33,535 0.88,536 0.701,537 159.806,538 -0.067,539 -0.192,540 0.043,541 -0.067,542 -0.064,543 -0.004,544 0.055,545 0.07,546 0.07,547 0.102,548 0.035,549 0.085,550 -0.099,551 -0.206,552 -0.01,553 -0.138,554 -0.018,555 -0.067,556 -0.117,557 0.058,558 -0.192,559 -0.071,560 -0.136,561 -0.138,562 -0.112,563 -0.04,564 -0.094,565 -0.055,566 -0.151,567 -0.064,568 0.175,569 0.045,570 0.094,571 0.074,572 0.083,573 0.062,574 0.153,575 -0.154,576 0.195,577 -0.114,578 0.198,579 0.012,580 -0.211,581 0.13,582 -0.235,583 0.098,584 -0.134,585 -0.029,586 2.066,587 6.264,588 0.806,589 32.248,590 1.019,591 1.126,592 3.497,593 12.226,594 0.688,595 3.584,596 3.951,597 4.29,598 4.585,599 4.875,600 5.056,601 5.263,602 5.442,603 5.595,604 5.73,605 6.843,606 0.677,607 418.46,608 3.584,609 5.153,610 6.038,611 6.94,612 7.842,613 8.752,614 9.662,615 10.577,616 11.491,617 12.41,618 8,623 1,624 1,626 2,631 1,632 9,633 2,637 8,639 22,642 1,647 1,648 1,649 1,650 50,652 23,653 2,654 35,656 54,657 23,658 18,659 4,660 8,661 1,663 5,664 8,670 1,672 1,674 19,675 4,677 1,680 1,683 1,685 1,686 1,687 19,688 7,689 1,690 8,692 1,694 4,696 0.6,697 3,703 1,708 1,709 4,711 1,712 1,728 3,732 1,734 1,735 31,738 1,739 3,741 1,744 1,754 1,755 6,757 1,758 1,760 1,762 15.5,763 9.476,764 6.722,765 2.904,766 4.046,767 1.478,768 1.008,769 4.929,770 12.505,771 3.871,772 4.535,773 5.195,774 5.816,775 6.401,776 6.814,777 7.272,778 7.723,779 8.099,780 8.486,781 1,782 55,783 11.531,784 5.134,785 7.941,786 21.51,787 18.027,788 2.441,789 75.667,791 1,792 1,793 211.88,794 138.341,795 37.982,797 78.828,798 14.96,800 138.341,801 290.708,802 52.942,803 10.883,804 9.87,805 84.857,806 107.819,807 41.721,808 26.731,809 200.109,811 211.88,812 176.323,813 93.788,816 226.84,817 78.828,819 18.386,820 124.366,821 33.571,823 226.84,824 116.81,825 138.341,827 211.88,828 42.601,829 100.151,831 127.359,832 211.88,833 131.77,834 138.341,835 0.591,836 0.361,837 0.193,838 0.106,839 27,840 12,841 0.056,842 3,843 2,844 1.16,845 4.169,846 299.282,847 0.16,848 25,849 149.58,852 19.677,853 7.766,854 3.46,855 0.466,856 130.484,857 14.844,858 8.866,862 2.788,864 42.683,865 481.991,866 47,869 13.022,872 -0.111,873 50.971,874 56.283,876 0.3,877 0.699,878 0.846,879 0.917,880 0.934,881 0.934,882 5.127,883 1.823,884 6.043,885 5.895,886 4.635,887 5.223,888 1.775,889 6.905,890 4.542,891 6.36,892 1.414,893 7.636,894 5.402,895 4.29,896 5.121,897 0.325,898 7.886,899 4.14,900 7.691,901 1.186,902 9.327,903 3.204,904 6.282,905 7.502,906 1.812,907 11.016,908 6.106,909 9.06,910 1,911 11.076,912 2.949,913 6.758,914 8.238,915 0.74,916 12.807,917 6.525,918 10.461,919 0.981,920 12.86,921 2.481,922 8.222,923 10.094,924 1.972,925 15.462,926 7.965,927 11.885,928 0.886,929 14.669,930 2.4,931 9.064,932 11.225,933 1.168,934 17.592,935 8.753,936 13.326,937 0.734,938 16.495,939 2.275,940 10.328,941 12.875,942 2.208,943 20.085,944 9.987,945 3.296,946 0.445,947 18.335,948 2.078,949 11.341,950 14.204,951 1.605,952 22.368,953 10.947,954 2.996,955 11.49,956 20.185,957 0.691,958 12.531,959 15.771,960 2.493,961 24.804,962 12.1,963 2.884,964 9.928,965 22.044,966 4.679,967 13.622,968 17.202,969 2.049,970 27.158,971 13.139,972 2.542,973 9.611,974 23.909,975 3.917,976 14.788,977 18.739,978 2.812,979 29.578,980 14.261,981 2.382,982 8.165,983 25.781,984 3.795,985 15.918,986 20.221,987 2.494,988 31.966,989 15.338,990 2.158,991 6.936,992 27.657,993 3.333,994 17.079,995 21.751,996 3.155,997 34.384,998 16.45,999 1.916,1000 6.486,1001 29.538,1002 3.119,1003 18.228,1004 23.259,1005 2.938,1006 36.792,1007 17.545,1008 12203,1009 21261,1010 23.581,1011 34.415,1012 53.873,1013 55.15,1014 55.744,1015 53.372,1016 53.286,1017 71.168,1018 5.223,1019 159.982,1020 50.759,1021 5.661,1022 5.714,1023 6.553,1024 5.32,1025 5.296,1026 7.679,1027 2.335,1028 19.012,1029 5.121,1030 14.704,1031 1.539,1032 1.576,1033 1.593,1034 1.525,1035 1.522,1036 2.033,1037 0.149,1038 4.571,1039 1.45,1040 4.159,1041 4.203,1042 4.138,1043 4.008,1044 8.201,1045 4.033,1046 3.933,1047 3.955,1048 3.885,1049 3.85,1050 7.428,1051 3.854,1052 3.868,1053 3.897,1054 3.82,1055 3.782,1056 6.477,1057 3.787,1058 3.64,1059 3.698,1060 3.558,1061 3.459,1062 5.004,1063 3.475,1064 3.328,1065 3.365,1066 3.261,1067 3.102,1068 4.852,1069 3.137,1070 3.189,1071 3.253,1072 3.078,1073 2.938,1074 4.624,1075 2.954,1076 3.049,1077 3.119,1078 2.896,1079 2.899,1080 4.395,1081 2.886,1082 3.012,1083 3.046,1084 2.871,1085 2.776,1086 4.336,1087 2.794,1088 0.135,1089 0.106,1090 0.196,1091 0.121,1092 0.094,1093 4.716,1094 0.134,1095 3.714,1096 0.035,1097 6.869,1098 0.328,1099 4.241,1100 0.089,1101 3.296,1102 4.679,1103 1.23,1104 11.49,1105 3.121,1106 1.951,1107 1.917,1108 2.044,1109 2.121,1110 1.308,1111 2.095,1112 1.9,1113 1.877,1114 1.995,1115 1.992,1116 1.084,1117 1.991,1118 1.872,1119 1.846,1120 1.969,1121 1.98,1122 1.069,1123 1.978,1124 1.496,1125 1.438,1126 1.641,1127 1.745,1128 0.841,1129 1.721,1130 1.304,1131 1.261,1132 1.571,1133 1.525,1134 0.646,1135 1.536,1136 1.222,1137 1.167,1138 1.457,1139 1.46,1140 0.576,1141 1.457,1142 1.09,1143 1.014,1144 1.34,1145 1.343,1146 0.461,1147 1.353,1148 0.899,1149 0.853,1150 1.181,1151 1.137,1152 0.218,1153 1.12,1154 4.263,1156 5.617,1157 2.398,1158 7.175,1159 4.727,1160 8.825,1161 6.88,1162 10.523,1164 1.576,1166 14.264,1168 10.385,1169 1.259,1171 5.153,1174 1.723,1179 33.828,1180 84.685,1181 197.134,1182 238.683,1183 258.683,1184 263.438,1185 263.438,1186 60.028,1187 8.459,1188 79.96,1189 79.96,1190 29,1191 12.921,1192 4.585,1193 3.7,1194 43.599,1195 125,1196 155,1197 0.17,1198 202.59,1199 348.46,1200 486.08,1201 58242,1202 2,1203 21.535,1204 0.695,1205 0.54,1206 20.665,1207 16.748,1208 15.046,1209 0.43,1210 0.281,1211 9.651,1212 14.344,1213 9.465,1214 7.783,1215 14.635,1216 9.829,1217 13.743,1218 0.269,1219 0.144,1220 13.216,1221 7.342,1222 12.483,1223 0.173,1224 0.077,1225 12.016,1226 5.516,1227 10.443,1228 0.108,1229 0.04,1230 10.038,1231 3.884,1232 8.65,1233 0.067,1234 0.021,1235 8.454,1236 2.747,1237 0.264,1238 95.341,1239 0.206,1240 28.882,1241 0.472,1242 172,1243 584.312,1244 192.629,1245 534.786,1246 728.47,1247 500,1248 209,1249 538.869,1250 230.487,1251 538.361,1252 797.11,1253 506,1254 6.951}
{0 CHEMBL147312,1 1.441,2 11.25,3 4.507,4 20.315,5 109.582,6 7.41,7 0.688,8 4.025,9 4.142,10 3.608,11 3.607,12 5.096,13 3.584,14 4.557,15 4.73,16 3.989,17 4.023,18 5.586,19 3.978,20 4.794,21 4.988,22 4.029,23 4.162,24 5.76,25 4.084,26 4.917,27 5.165,28 3.961,29 4.116,30 5.853,31 4.016,32 4.797,33 5.039,34 3.859,35 4.029,36 5.677,37 3.935,38 4.724,39 4.946,40 3.825,41 4.003,42 5.702,43 3.917,44 4.699,45 4.925,46 3.761,47 3.964,48 5.661,49 3.86,50 4.625,51 4.872,52 3.633,53 3.827,54 5.567,55 3.732,56 0.037,57 0.741,58 10.127,59 4.413,60 8.636,61 5.822,62 0.268,63 1.256,64 18.963,65 7.323,66 20.34,67 10.118,68 0.13,69 1.527,70 24.674,71 9.711,72 22.069,73 13.46,74 0.405,75 1.675,76 30.794,77 10.796,78 41.63,79 15.32,80 0.232,81 1.464,82 27.053,83 9.633,84 27.8,85 13.582,86 0.315,87 1.361,88 24.771,89 8.748,90 35.868,91 12.014,92 0.17,93 1.316,94 23.907,95 9.128,96 31.349,97 12.681,98 0.263,99 1.218,100 23.26,101 7.843,102 32.857,103 10.953,104 5,105 46,106 0.239,107 0.577,108 0.731,109 0.806,110 0.842,111 0.842,112 3.375,113 0.9,114 -5.28,115 -5.17,116 -4.83,118 46,119 1,120 1,124 3,135 9,136 4,139 2,143 1,152 1,153 1,159 13,161 2,162 8,164 2,166 15,169 5,173 8,175 4,176 8,178 1,179 2,180 4,184 5,186 1,187 6,191 8,193 1,194 2,195 7,198 11,201 2,202 5,204 9,207 2,208 4,211 5,214 3,215 5,216 1226,217 19.256,218 19.256,219 19.256,220 19.256,221 19.256,222 16.617,223 17.177,224 11.298,225 19.607,226 15.847,227 15.847,228 15.847,229 15.847,230 15.847,231 11.894,232 20.788,233 5.46,234 16.467,235 4.203,236 2.171,237 1.241,238 0.79,239 0.575,240 0.575,241 4.09,245 1,246 1,247 705,248 2.449,251 48.682,252 275.922,254 87.08,255 98.053,258 1.786,259 18.07,261 1,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 59,271 315,272 4.709,273 3.422,274 6.857,275 4.225,276 3.283,277 4.675,278 0.995,279 11.451,280 3.102,281 4.175,282 3.026,283 6.165,284 3.814,285 2.835,286 3.778,287 0.359,288 9.145,289 2.781,290 3.948,291 2.827,292 5.906,293 3.613,294 2.651,295 3.459,297 8.17,298 2.562,299 3.836,300 2.648,301 5.533,302 3.422,303 2.45,304 3.329,306 7.459,307 2.375,308 3.643,309 2.463,310 5.285,311 3.236,312 2.272,313 3.056,315 6.411,316 2.181,317 3.412,318 2.268,319 5.029,320 2.978,321 2.041,322 2.747,324 5.994,325 1.913,326 3.243,327 2.211,328 4.996,329 2.972,330 2.03,331 2.346,333 5.919,334 1.891,335 2.828,336 1.59,337 4.307,338 2.411,339 1.417,340 1.942,342 3.891,343 1.407,344 2.765,345 1.513,346 3.891,347 2.34,348 1.366,349 1.874,350 3.043,351 1.327,352 2.5,353 1.146,354 3.76,355 2,356 1,357 1.5,358 2.656,359 1,360 2.5,361 1,362 3.59,363 2,364 1,365 1.5,366 2.275,367 1,368 2.224,369 1,370 3.414,371 1.931,372 0.975,373 1.145,374 2.195,375 0.929,376 2.103,377 0.851,378 3.247,379 1.657,380 0.743,381 1.015,382 2.136,383 0.677,384 1.424,385 0.488,386 2.975,387 1.181,388 0.236,389 0.268,390 0.608,391 0.222,392 1.125,393 0.063,394 2.718,395 0.803,396 -0.183,397 -0.226,398 -0.421,399 -0.179,400 13.433,401 0.48,402 0.674,403 0.024,404 39.25,405 1.402,406 20.5,407 0.732,408 18.75,409 0.67,410 21.617,411 0.772,412 28.567,413 0.571,414 27.761,415 0.991,416 7.711,417 0.275,418 5.959,419 0.213,420 0.062,422 0.357,424 0.937,425 1.303,426 0.783,427 1.01,428 0.923,429 0.904,430 0.707,431 0.982,432 0.841,433 0.873,434 0.519,435 0.865,436 0.91,437 1.304,438 1.022,439 1.183,440 0.768,441 1.122,442 0.975,443 0.944,444 0.983,445 0.957,446 0.96,447 0.963,448 1.168,449 1.052,450 0.972,451 0.953,452 1.073,453 0.938,454 1.442,455 0.916,456 1.103,457 0.903,458 1.417,459 0.953,460 1.07,461 1.162,462 1.035,463 1.116,464 1.098,465 1.081,466 1.522,467 0.917,468 1.061,469 0.847,470 1.432,471 0.89,472 5.5,473 0.112,474 2.889,475 1.535,476 1.877,477 0.886,478 0.676,479 0.405,480 0.31,481 0.213,482 10323,483 23147,484 2.2,485 44,486 3,487 15,488 1,490 1,491 2,494 1.712,495 2.1,496 3.456,497 -0.394,502 72.043,503 1.441,504 3.473,505 4.403,506 4.854,507 5.069,508 5.069,509 2.924,510 4.307,511 4.773,512 3.582,513 1353.87,514 8.312,515 17429.6,517 1,520 282.193,521 1.264,522 4.757,523 0.172,524 0.007,525 0.063,526 0.033,527 0.046,528 0.023,529 0.018,530 0.012,531 0.01,532 0.009,533 0.393,534 0.5,535 0.88,536 0.444,537 139.605,538 -0.036,539 -0.196,540 0.065,541 -0.031,542 -0.086,543 0.014,544 0.239,545 0.13,546 0.066,547 0.075,548 0.145,549 0.053,550 -0.041,551 -0.263,552 -0.099,553 -0.216,554 -0.006,555 -0.172,556 0.145,557 0.073,558 0.025,559 -0.013,560 0.046,561 -0.009,562 -0.082,563 -0.053,564 0.026,565 0.006,566 -0.081,567 0.026,568 -0.145,569 0.107,570 -0.111,571 0.049,572 -0.104,573 -0.012,574 -0.057,575 -0.184,576 -0.062,577 -0.137,578 -0.02,579 -0.107,580 -0.213,581 0.088,582 -0.038,583 0.099,584 -0.132,585 0.06,586 1.656,587 4.431,588 0.893,589 28.342,590 0.994,591 1.119,592 4.052,593 16.42,594 0.687,595 3.497,596 3.85,597 4.159,598 4.477,599 4.787,600 4.934,601 5.124,602 5.347,603 5.521,604 5.602,605 6.419,606 0.651,607 370.49,608 3.497,609 5.056,610 5.927,611 6.823,612 7.715,613 8.62,614 9.522,615 10.433,616 11.342,617 12.257,618 8,619 1,624 1,626 2,631 1,632 10,633 2,637 7,639 22,647 1,650 50,652 22,653 2,654 32,656 54,657 23,658 18,659 3,660 9,663 5,664 8,667 1,670 1,672 1,674 18,675 5,685 1,687 22,688 4,689 1,690 5,692 1,694 4,696 0.6,697 1,703 1,708 1,709 4,711 1,712 1,724 1,728 3,732 1,735 28,738 1,739 4,744 1,755 2,757 1,762 13.333,763 9.333,764 5.972,765 3.029,766 3.962,767 1.481,768 1.024,769 4.289,770 12.198,771 3.784,772 4.446,773 5.084,774 5.727,775 6.323,776 6.704,777 7.159,778 7.67,779 8.069,780 8.411,781 0.875,782 46,783 10.355,784 4.483,785 7.548,786 20.218,787 17.178,788 2.048,789 57.333,791 1,792 1,793 247.193,794 131.982,795 37.982,797 42.683,800 131.982,801 289.876,802 37.982,803 8.825,804 8.852,805 94.334,806 77.97,807 22.667,808 11.771,809 235.422,811 247.193,812 169.963,813 42.683,816 247.193,817 42.683,819 29.316,820 107.076,821 33.571,823 247.193,824 80.665,825 131.982,827 247.193,828 28.823,829 107.57,831 76.254,832 247.193,833 80.665,834 131.982,835 0.588,836 0.342,837 0.188,838 0.111,839 25,840 10,841 0.056,842 3,843 2,844 1.16,845 4.036,846 258.456,847 0.16,848 25,849 126.606,852 17.268,853 6.954,854 3.283,855 0.802,856 79.379,857 20.674,858 9.321,862 6.485,864 42.683,865 459.84,866 43,873 49.687,874 55.939,876 0.255,877 0.615,878 0.78,879 0.86,880 0.898,881 0.898,882 5.027,883 1.417,884 5.916,885 5.919,886 4.533,887 5.133,888 1.114,889 6.746,890 4.455,891 6.249,892 1.366,893 7.48,894 3.891,895 4.111,896 4.956,897 0.325,898 7.644,899 3.976,900 7.566,901 1,902 9.142,903 3.043,904 6.142,905 7.396,906 0.897,907 10.779,908 5.983,909 8.92,910 1,911 10.863,912 2.656,913 6.538,914 8.073,915 0.504,916 12.527,917 6.314,918 10.306,919 0.975,920 12.622,921 2.275,922 8.035,923 9.975,924 0.792,925 15.185,926 7.786,927 11.717,928 0.743,929 14.408,930 2.195,931 8.821,932 11.076,933 0.585,934 17.308,935 8.505,936 13.148,937 0.236,938 16.215,939 2.136,940 10.104,941 12.755,942 0.735,943 19.808,944 9.755,945 3.283,946 -0.183,947 18.039,948 0.608,949 11.086,950 14.076,951 0.622,952 22.101,953 10.668,954 2.835,955 11.451,956 19.877,957 -0.421,958 12.286,959 15.662,960 0.703,961 24.55,962 11.825,963 2.651,964 9.145,965 21.726,966 4.675,967 13.365,968 17.095,969 0.639,970 26.92,971 12.837,972 2.45,973 8.17,974 23.585,975 3.778,976 14.537,977 18.646,978 0.683,979 29.354,980 13.959,981 2.272,982 7.459,983 25.452,984 3.459,985 15.665,986 20.134,987 0.646,988 31.758,989 15.021,990 2.041,991 6.411,992 27.327,993 3.329,994 16.832,995 21.674,996 0.67,997 34.19,998 16.132,999 2.03,1000 5.994,1001 29.207,1002 3.056,1003 17.984,1004 23.188,1005 0.648,1006 36.611,1007 17.22,1008 9503,1009 14380,1010 22.076,1011 34.33,1012 48.99,1013 48.725,1014 49.41,1015 48.612,1016 48.597,1017 65.269,1018 2.707,1019 142.705,1020 46.735,1021 5.654,1022 5.422,1023 6.659,1024 5.304,1025 5.283,1026 7.675,1027 1.754,1028 18.969,1029 5.102,1030 9.799,1031 1.531,1032 1.523,1033 1.544,1034 1.519,1035 1.519,1036 2.04,1037 0.085,1038 4.46,1039 1.46,1040 4.159,1041 4.204,1042 4.135,1043 4.014,1044 6.477,1045 4.035,1046 3.92,1047 3.956,1048 3.847,1049 3.854,1050 5.017,1051 3.848,1052 3.88,1053 3.912,1054 3.815,1055 3.804,1056 4.753,1057 3.805,1058 3.64,1059 3.704,1060 3.543,1061 3.473,1062 4.698,1063 3.483,1064 3.284,1065 3.346,1066 3.203,1067 3.112,1068 4.402,1069 3.119,1070 3.145,1071 3.226,1072 2.974,1073 2.998,1074 4.076,1075 2.981,1076 3.034,1077 3.089,1078 2.919,1079 2.861,1080 3.824,1081 2.861,1082 2.962,1083 3.045,1084 2.761,1085 2.75,1086 3.685,1087 2.755,1088 0.147,1089 0.107,1090 0.214,1091 0.132,1092 0.103,1093 4.709,1094 0.146,1095 3.422,1096 0.031,1097 6.857,1098 0.358,1099 4.225,1100 0.097,1101 3.283,1102 4.675,1103 0.995,1104 11.451,1105 3.102,1106 1.958,1107 1.918,1108 2.074,1109 2.123,1110 1.336,1111 2.103,1112 1.932,1113 1.906,1114 2.046,1115 2.007,1116 1.155,1117 2.021,1118 1.879,1119 1.846,1120 1.987,1121 1.982,1122 1.121,1123 1.99,1124 1.51,1125 1.449,1126 1.664,1127 1.745,1128 0.848,1129 1.73,1130 1.368,1131 1.314,1132 1.573,1133 1.538,1134 0.722,1135 1.55,1136 1.178,1137 1.106,1138 1.471,1139 1.387,1140 0.68,1141 1.419,1142 1.076,1143 1,1144 1.364,1145 1.295,1146 0.508,1147 1.327,1148 0.91,1149 0.834,1150 1.199,1151 1.149,1152 0.319,1153 1.174,1154 4.174,1156 5.517,1157 2.398,1158 7.059,1159 4.727,1160 8.692,1161 6.88,1162 10.375,1164 2.07,1168 10.431,1169 3.43,1174 2.413,1179 32.542,1180 72.043,1181 173.636,1182 220.154,1183 242.683,1184 253.438,1185 253.438,1186 34.748,1187 8.236,1188 53.66,1189 53.66,1190 29,1191 12.77,1192 4.524,1193 3.585,1194 37.619,1195 106,1196 115,1197 0.173,1198 196.327,1199 327.45,1200 470.797,1201 44520,1203 19.087,1204 0.682,1205 0.566,1206 19.087,1207 15.838,1208 13.67,1209 0.427,1210 0.3,1211 9.503,1212 13.297,1213 9.244,1214 7.655,1215 13.67,1216 9.604,1217 12.635,1218 0.275,1219 0.162,1220 12.635,1221 7.469,1222 10.93,1223 0.173,1224 0.086,1225 10.93,1226 5.418,1227 9.37,1228 0.108,1229 0.045,1230 9.37,1231 3.892,1232 8.155,1233 0.069,1234 0.024,1235 8.155,1236 2.891,1237 0.269,1238 84.563,1239 0.213,1240 26.602,1241 0.484,1242 156,1243 382.73,1244 167.373,1245 382.034,1246 541.66,1247 360,1248 187,1249 417.65,1250 199.845,1251 428.15,1252 631.84,1253 403,1254 6.187}
{0 CHEMBL147364,1 1.734,2 10.037,3 4.18,4 17.472,5 103.591,6 8.647,7 0.677,8 3.929,9 4.03,10 3.673,11 3.543,12 5.068,13 3.518,14 4.457,15 4.608,16 4.073,17 3.962,18 5.589,19 3.917,20 4.68,21 4.862,22 4.05,23 4.028,24 5.769,25 3.972,26 4.761,27 4.981,28 4.055,29 3.995,30 5.908,31 3.935,32 4.68,33 4.89,34 3.952,35 3.968,36 5.717,37 3.881,38 4.612,39 4.813,40 3.87,41 3.92,42 5.678,43 3.834,44 4.552,45 4.76,46 3.917,47 3.812,48 5.793,49 3.74,50 4.423,51 4.633,52 3.723,53 3.673,54 5.582,55 3.591,56 0.065,57 0.745,58 7.326,59 3.984,60 8.937,61 4.426,62 0.288,63 1.266,64 15.651,65 6.823,66 18.02,67 7.827,68 0.261,69 1.538,70 23.789,71 9.128,72 28.884,73 10.521,74 0.554,75 1.639,76 24.665,77 9.218,78 58.403,79 11.193,80 0.434,81 1.491,82 26.839,83 9.551,84 42.584,85 10.805,86 0.397,87 1.32,88 22.466,89 8.372,90 37.327,91 9.573,92 0.436,93 1.306,94 21.433,95 7.992,96 60.851,97 10.067,98 0.416,99 1.171,100 18.834,101 7.021,102 48.54,103 7.748,104 5,105 45,106 0.295,107 0.669,108 0.816,109 0.891,110 0.899,111 0.899,112 3.341,113 0.935,114 -5.08,115 -4.98,116 -4.66,118 45.5,120 1,124 3,135 6,136 2,137 1,139 2,143 2,144 1,152 1,153 1,159 5,161 2,162 7,164 2,166 7,169 4,173 2,175 4,176 6,178 1,179 2,180 1,184 4,186 1,187 5,191 3,193 1,194 1,195 5,198 9,201 2,202 2,204 6,207 1,208 2,211 1,214 2,215 3,216 1080,217 18.602,218 18.602,219 18.602,220 18.602,221 18.602,222 16.064,223 16.379,224 10.87,225 19.218,226 15.348,227 15.348,228 15.348,229 15.348,230 15.348,231 11.545,232 19.98,233 5.218,234 16.419,235 3.726,236 1.534,237 0.671,238 0.227,239 0.182,240 0.182,241 4.054,245 1,246 1,247 609,248 2.449,251 110.428,252 182.753,254 80.853,255 91.953,258 1.599,259 28.324,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 58.5,271 271,272 4.714,273 3.429,274 6.864,275 4.234,276 3.29,277 4.679,278 0.995,279 11.477,280 3.11,281 4.285,282 3.177,283 6.424,284 3.905,285 2.935,286 3.916,287 0.359,288 9.861,289 2.844,290 3.969,291 2.981,292 5.966,293 3.596,294 2.682,295 3.492,297 8.364,298 2.446,299 3.842,300 2.687,301 5.54,302 3.391,303 2.465,304 3.318,306 7.492,307 2.269,308 3.562,309 2.416,310 5.317,311 3.081,312 2.167,313 2.978,315 6.488,316 1.972,317 3.236,318 2.275,319 5.005,320 2.954,321 2.042,322 2.466,324 5.942,325 1.856,326 3.195,327 2.076,328 4.97,329 2.782,330 1.824,331 2.298,333 5.402,334 1.743,335 2.861,336 1.607,337 4.018,338 2.381,339 1.414,340 2.016,342 3.204,343 1.353,344 2.569,345 1.425,346 3.811,347 2.162,348 1.192,349 1.599,350 2.949,351 1.152,352 2.557,353 1.314,354 3.758,355 2.11,356 1.159,357 1.578,358 2.587,359 1.089,360 2.218,361 0.977,362 3.576,363 1.879,364 0.913,365 1.13,366 2.428,367 0.879,368 2.118,369 0.849,370 3.433,371 1.654,372 0.742,373 1.013,374 2.182,375 0.675,376 2.1,377 0.618,378 3,379 1.464,380 0.618,381 0.927,382 1.372,383 0.507,384 1.376,385 0.419,386 2.908,387 1.105,388 0.179,389 0.206,390 0.461,391 0.164,392 1.093,393 0.303,394 2.66,395 0.699,396 -0.207,397 -0.255,398 -0.469,399 -0.181,400 13.052,401 0.483,402 0.657,403 0.024,404 37,405 1.37,406 18.5,407 0.685,408 18.5,409 0.685,410 21.502,411 0.796,412 27.748,413 0.631,414 25.817,415 0.956,416 7.16,417 0.265,418 6.027,419 0.223,420 0.047,422 0.368,423 1,424 0.742,425 1.107,426 0.673,427 0.881,428 0.65,429 0.827,430 0.653,431 0.92,432 0.838,433 0.86,434 0.51,435 0.848,436 0.931,437 1.245,438 1.079,439 1.211,440 0.8,441 1.1,442 0.981,443 0.894,444 0.796,445 0.812,446 0.956,447 0.925,448 1.055,449 0.966,450 1.175,451 1.052,452 1.003,453 1.003,454 1.054,455 0.851,456 1.089,457 0.94,458 0.931,459 1.016,460 0.718,461 1.078,462 0.732,463 1.026,464 0.743,465 0.995,466 1.445,467 0.99,468 0.999,469 0.844,470 1.541,471 0.943,472 5,473 0.087,474 2.889,475 1.944,476 1.681,477 0.897,478 0.696,479 0.353,480 0.262,481 0.143,482 9129,483 25921,484 2.208,485 38.6,487 12,488 2,490 1,491 2,494 1.704,495 2.104,496 3.311,497 -0.309,499 1,502 76.29,503 1.734,504 3.925,505 4.789,506 5.232,507 5.278,508 5.278,509 2.742,510 4.459,511 4.723,512 3.462,513 1215.29,514 8.217,515 15085.8,517 1,519 1,520 240.215,521 1.28,522 4.703,523 0.161,524 0.007,525 0.064,526 0.044,527 0.04,528 0.024,529 0.02,530 0.01,531 0.009,532 0.007,533 0.387,534 0.33,535 0.88,536 0.454,537 132.053,538 -0.066,539 -0.15,540 0.055,541 0.01,542 -0.058,543 0.021,544 0.084,545 0.063,546 0.011,547 0.055,548 0.062,549 0.027,550 -0.077,551 -0.263,552 -0.152,553 -0.259,554 0.002,555 -0.165,556 0.068,557 0.094,558 0.043,559 0.036,560 0.04,561 0.004,562 -0.087,563 0.001,564 -0.127,565 -0.046,566 -0.093,567 -0.03,568 -0.143,569 0.026,570 -0.159,571 -0.008,572 -0.099,573 -0.07,574 0.266,575 -0.144,576 0.195,577 -0.084,578 0.27,579 -0.004,580 -0.153,581 0.066,582 -0.023,583 0.107,584 -0.181,585 0.006,586 1.999,587 6.183,588 0.889,589 25.111,590 1.012,591 1.122,592 3.85,593 14.819,594 0.713,595 3.466,596 3.829,597 4.159,598 4.489,599 4.736,600 4.92,601 5.142,602 5.338,603 5.489,604 5.587,605 6.012,606 0.683,607 380.48,608 3.466,609 5.03,610 5.911,611 6.815,612 7.713,613 8.624,614 9.532,615 10.448,616 11.362,617 12.281,618 9.1,619 1,624 1,626 2,631 1,632 8,633 2,636 1,637 7,639 21,647 1,649 1,650 44,652 21,653 1,654 31,656 48,657 20,658 16,659 2,660 4,663 5,664 8,670 1,672 1,674 16,675 4,685 1,686 1,687 17,688 5,689 1,690 7,691 1,692 1,694 4,696 0.6,697 1,703 1,708 2,709 3,711 1,712 1,724 1,728 3,730 1,734 1,735 27,738 1,739 4,744 1,750 1,754 1,755 2.3,757 1,762 12.833,763 7.976,764 5.75,765 2.613,766 3.754,767 1.462,768 1.038,769 4.179,770 11.887,771 3.75,772 4.419,773 5.072,774 5.725,775 6.238,776 6.685,777 7.173,778 7.658,779 8.027,780 8.393,781 0.857,782 44,783 10.032,784 4.466,785 7.765,786 19.189,787 16.456,788 2.265,789 61.167,792 1,793 188.338,794 137.763,795 37.982,797 42.683,798 14.96,799 31.278,800 106.485,801 231.021,802 52.942,804 8.852,805 73.554,806 77.97,807 25.416,808 39.861,809 196.073,811 188.338,812 144.467,813 57.643,814 31.278,816 203.298,817 42.683,819 20.491,820 90.405,821 33.571,822 31.278,823 203.298,824 80.665,825 137.763,827 188.338,828 64.209,829 77.965,831 91.215,832 188.338,833 95.625,834 137.763,835 0.589,836 0.351,837 0.198,838 0.104,839 25,840 10,841 0.063,842 3,843 2,844 1.167,845 3.92,846 249.668,847 0.167,848 24,849 128.382,850 1,852 16.845,853 6.699,854 3.029,855 0.645,856 94.339,857 14.458,858 9.012,861 1.747,862 3.657,864 42.683,865 421.726,866 41.5,873 44.509,874 49.369,876 0.318,877 0.719,878 0.877,879 0.958,880 0.967,881 0.967,882 4.999,883 1.414,884 5.905,885 5.402,886 4.511,887 5.106,888 1.114,889 6.756,890 4.383,891 6.224,892 1.192,893 7.483,894 3.204,895 4.111,896 4.956,897 0.325,898 7.695,899 3.906,900 7.548,901 1.159,902 9.16,903 2.949,904 6.138,905 7.382,906 0.897,907 10.843,908 5.897,909 8.911,910 0.913,911 10.896,912 2.587,913 6.581,914 8.117,915 0.504,916 12.627,917 6.266,918 10.308,919 0.742,920 12.672,921 2.428,922 8.059,923 9.982,924 0.792,925 15.289,926 7.716,927 11.729,928 0.618,929 14.474,930 2.182,931 8.887,932 11.132,933 0.585,934 17.428,935 8.479,936 13.171,937 0.179,938 16.296,939 1.372,940 10.158,941 12.781,942 0.735,943 19.929,944 9.717,945 3.29,946 -0.207,947 18.133,948 0.461,949 11.167,950 14.132,951 0.622,952 22.226,953 10.667,954 2.935,955 11.477,956 19.982,957 -0.469,958 12.362,959 15.699,960 0.703,961 24.671,962 11.821,963 2.682,964 9.861,965 21.841,966 4.679,967 13.455,968 17.146,969 0.639,970 27.038,971 12.859,972 2.465,973 8.364,974 23.708,975 3.916,976 14.626,977 18.686,978 0.683,979 29.468,980 13.984,981 2.167,982 7.492,983 25.582,984 3.492,985 15.759,986 20.18,987 0.646,988 31.868,989 15.063,990 2.042,991 6.488,992 27.462,993 3.318,994 16.926,995 21.713,996 0.67,997 34.294,998 16.179,999 1.824,1000 5.942,1001 29.347,1002 2.978,1003 18.08,1004 23.228,1005 0.648,1006 36.71,1007 17.278,1008 8381,1009 14264,1010 21.383,1011 31.392,1012 47.718,1013 47.674,1014 47.889,1015 47.292,1016 47.244,1017 63.232,1018 2.707,1019 140.414,1020 44.117,1021 5.659,1022 5.429,1023 6.549,1024 5.322,1025 5.29,1026 7.679,1027 1.754,1028 18.995,1029 5.11,1030 9.242,1031 1.539,1032 1.538,1033 1.545,1034 1.526,1035 1.524,1036 2.04,1037 0.087,1038 4.529,1039 1.423,1040 4.157,1041 4.202,1042 4.224,1043 4.012,1044 8.201,1045 4.032,1046 3.895,1047 3.924,1048 4.124,1049 3.904,1050 6.477,1051 3.831,1052 3.85,1053 3.871,1054 3.824,1055 3.785,1056 5.005,1057 3.781,1058 3.619,1059 3.677,1060 3.548,1061 3.455,1062 4.674,1063 3.464,1064 3.23,1065 3.293,1066 3.169,1067 3.023,1068 4.624,1069 3.043,1070 3.045,1071 3.12,1072 2.883,1073 2.913,1074 4.392,1075 2.892,1076 2.987,1077 3.042,1078 2.871,1079 2.778,1080 4.052,1081 2.795,1082 2.9,1083 2.957,1084 2.815,1085 2.733,1086 3.625,1087 2.734,1088 0.152,1089 0.111,1090 0.221,1091 0.137,1092 0.106,1093 4.714,1094 0.151,1095 3.429,1096 0.032,1097 6.864,1098 0.37,1099 4.234,1100 0.1,1101 3.29,1102 4.679,1103 0.995,1104 11.477,1105 3.11,1106 1.937,1107 1.895,1108 2.036,1109 2.116,1110 1.329,1111 2.092,1112 1.899,1113 1.876,1114 1.995,1115 1.986,1116 1.084,1117 1.989,1118 1.602,1119 1.561,1120 1.729,1121 1.801,1122 0.945,1123 1.786,1124 1.454,1125 1.408,1126 1.626,1127 1.597,1128 0.831,1129 1.618,1130 1.369,1131 1.35,1132 1.477,1133 1.469,1134 0.657,1135 1.501,1136 1.281,1137 1.231,1138 1.448,1139 1.424,1140 0.611,1141 1.454,1142 1.033,1143 0.965,1144 1.249,1145 1.232,1146 0.429,1147 1.27,1148 0.861,1149 0.805,1150 1.12,1151 1.068,1152 0.209,1153 1.08,1154 4.143,1156 5.493,1157 3.045,1158 7.036,1159 5.283,1160 8.674,1161 7.31,1162 10.366,1166 14.183,1168 10.336,1169 3.226,1174 2.352,1179 30.058,1180 76.29,1181 172.705,1182 210.705,1183 230.215,1184 232.215,1185 232.215,1186 40.863,1187 8.133,1188 53.66,1189 81.9,1190 28,1191 12.792,1192 4.459,1193 3.524,1194 35.659,1195 96,1196 95,1197 0.182,1198 182.806,1199 302.77,1200 437.807,1201 38556,1202 2.3,1203 18.38,1204 0.681,1205 0.566,1206 17.863,1207 15.286,1208 13.187,1209 0.425,1210 0.312,1211 8.734,1212 12.2,1213 8.503,1214 6.958,1215 13.23,1216 9.663,1217 12.187,1218 0.271,1219 0.171,1220 12.269,1221 7.709,1222 10.737,1223 0.17,1224 0.092,1225 10.886,1226 5.792,1227 9.446,1228 0.107,1229 0.049,1230 9.652,1231 4.355,1232 7.514,1233 0.066,1234 0.025,1235 7.621,1236 2.87,1237 0.281,1238 87.071,1239 0.216,1240 25.611,1241 0.518,1242 152,1243 469.702,1244 189.486,1245 454.047,1246 624.54,1247 426,1248 184,1249 452.383,1250 217.318,1251 466.682,1252 691.89,1253 440,1254 6.426}
{0 CHEMBL147379,1 1.59,2 9.84,3 3.972,4 15.774,5 94.017,6 7.401,7 0.571,8 3.941,9 4.065,10 3.508,11 3.46,12 5.023,13 3.447,14 4.501,15 4.691,16 3.892,17 3.871,18 5.558,19 3.835,20 4.755,21 4.981,22 3.968,23 4,24 5.776,25 3.945,26 4.818,27 5.062,28 3.943,29 3.966,30 5.909,31 3.902,32 4.747,33 4.997,34 3.794,35 3.893,36 5.709,37 3.813,38 4.658,39 4.894,40 3.702,41 3.84,42 5.653,43 3.758,44 4.633,45 4.881,46 3.682,47 3.766,48 5.787,49 3.678,50 4.491,51 4.731,52 3.429,53 3.6,54 5.559,55 3.505,56 0.036,57 0.774,58 9.579,59 4.123,60 7.359,61 5.467,62 0.272,63 1.263,64 18.71,65 6.864,66 20.814,67 9.592,68 0.23,69 1.537,70 25.665,71 8.863,72 30.843,73 12.525,74 0.53,75 1.577,76 28.633,77 9.076,78 58.582,79 12.841,80 0.397,81 1.413,82 26.819,83 8.483,84 41.443,85 12.246,86 0.359,87 1.259,88 24.033,89 7.832,90 36.311,91 11.115,92 0.437,93 1.261,94 23.969,95 7.961,96 64.395,97 11.332,98 0.392,99 1.102,100 21.016,101 6.647,102 47.43,103 9.067,104 13,105 40,106 0.273,107 0.633,108 0.817,109 0.877,110 0.885,111 0.885,112 3.268,113 0.937,114 -5.01,115 -4.91,116 -4.6,118 41.3,119 1,120 3,124 3,135 4,136 2,137 1,139 2,143 1,152 1,153 1,159 6,161 2,162 8,164 2,166 6,169 3,173 2,175 4,176 6,178 1,179 2,180 3,184 4,186 1,187 3,191 6,193 1,194 1,195 5,198 6,201 2,202 2,204 6,207 2,208 3,211 1,214 1,215 3,216 879,217 17.162,218 17.162,219 17.162,220 17.162,221 17.162,222 15.247,223 14.25,224 10.187,225 17.573,226 13.813,227 13.813,228 13.813,229 13.813,230 13.813,231 10.878,232 15.717,233 4.821,234 14.549,235 3.934,236 1.831,237 0.756,238 0.408,239 0.364,240 0.364,241 3.967,244 1,245 1,246 1,247 535,248 2.739,251 40.552,252 168.549,254 73.406,255 85.231,258 1.526,259 27.854,261 1,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 54.5,271 246,272 4.714,273 3.425,274 6.864,275 4.233,276 3.29,277 4.679,278 0.916,279 11.476,280 3.11,281 4.284,282 3.171,283 6.424,284 3.903,285 2.933,286 3.916,287 0.172,288 9.86,289 2.843,290 3.874,291 2.883,292 5.961,293 3.521,294 2.595,295 3.323,297 8.316,298 2.397,299 3.564,300 2.481,301 5.317,302 3.152,303 2.217,304 2.979,306 6.646,307 2.069,308 3.319,309 2.391,310 5.253,311 3.049,312 2.135,313 2.467,315 6.451,316 1.943,317 3.199,318 2.077,319 4.97,320 2.784,321 1.825,322 2.356,324 5.402,325 1.746,326 2.861,327 1.608,328 4.019,329 2.405,330 1.418,331 2.016,333 3.204,334 1.397,335 2.568,336 1.465,337 3.811,338 2.381,339 1.414,340 1.598,342 2.949,343 1.353,344 2.434,345 1.418,346 3.761,347 2.156,348 1.182,349 1.432,350 2.682,351 1.147,352 2.213,353 0.977,354 3.576,355 1.881,356 0.915,357 1.129,358 2.427,359 0.881,360 2.1,361 0.851,362 3.45,363 1.658,364 0.744,365 1.013,366 2.173,367 0.679,368 1.461,369 0.552,370 2.86,371 1.351,372 0.386,373 0.402,374 0.712,375 0.371,376 1.126,377 0.309,378 2.615,379 0.865,380 -0.072,381 -0.082,382 -0.149,383 -0.067,384 1.035,385 0.1,386 2.542,387 0.677,388 -0.228,389 -0.28,390 -0.507,391 -0.2,392 0.641,393 -0.365,394 2.499,395 0.269,396 -0.678,397 -0.791,398 -1.641,399 -0.638,400 11.719,401 0.469,402 0.589,403 0.024,404 31.5,405 1.26,406 14.5,407 0.58,408 17,409 0.68,410 21.226,411 0.849,412 27.281,413 0.593,414 22.031,415 0.881,416 5.932,417 0.237,418 6.237,419 0.249,420 0.095,422 0.367,423 1,424 0.742,425 1.291,426 0.768,427 1.131,428 0.653,429 0.99,430 0.619,431 1.008,432 0.799,433 0.951,434 0.483,435 0.911,436 0.875,437 1.148,438 0.847,439 1.02,440 0.736,441 0.937,442 0.941,443 0.926,444 0.934,445 0.934,446 0.903,447 0.928,448 0.983,449 0.955,450 0.95,451 0.935,452 0.927,453 0.929,454 0.996,455 0.878,456 1.034,457 0.94,458 0.881,459 0.978,460 0.791,461 0.991,462 0.904,463 1.026,464 0.742,465 0.992,466 1.394,467 1.032,468 1.234,469 1.046,470 1.485,471 1.1,472 4.5,473 0.037,474 2.889,475 1.722,476 1.726,477 0.931,478 0.635,479 0.37,480 0.241,481 0.137,482 6757,483 16568,484 2.13,485 45.7,486 5,487 10,488 1,490 1,491 2,492 2,494 1.684,495 2,496 3.253,497 -0.317,499 1,502 73.135,503 1.59,504 3.693,505 4.768,506 5.116,507 5.159,508 5.159,509 2.725,510 4.564,511 4.609,512 3.375,513 1012.37,514 7.996,515 11810,517 1,519 1,520 254.084,521 1.388,522 4.579,523 0.161,524 0.004,525 0.072,526 0.041,527 0.044,528 0.027,529 0.02,530 0.013,531 0.011,532 0.009,533 0.403,534 0.33,535 1,536 1.11,537 118.706,538 -0.047,539 -0.215,540 0.053,541 -0.063,542 -0.042,543 -0.004,544 0.124,545 0.012,546 0.09,547 0.039,548 0.094,549 0.05,550 -0.035,551 -0.158,552 0.093,553 -0.037,554 0.041,555 0.04,556 0.091,557 0.074,558 0.055,559 0.005,560 0.07,561 0.016,562 -0.033,563 -0.012,564 0.031,565 0.017,566 -0.044,567 0.035,568 -0.09,569 0.001,570 -0.075,571 0.011,572 -0.055,573 -0.018,574 0.183,575 -0.047,576 0.08,577 -0.054,578 0.237,579 -0.013,580 -0.144,581 0.013,582 -0.22,583 -0.085,584 -0.173,585 -0.153,586 1.989,587 6.109,588 0.76,589 21.926,590 1.004,591 1.137,592 3.778,593 14.27,594 0.658,595 3.367,596 3.714,597 4.043,598 4.369,599 4.663,600 4.836,601 5.037,602 5.215,603 5.323,604 5.371,605 5.648,606 0.629,607 340.44,608 3.367,609 4.92,610 5.796,611 6.698,612 7.599,613 8.513,614 9.426,615 10.345,616 11.264,617 12.187,618 8.7,619 1,624 1,626 2,631 1,632 5,633 2,637 6,639 16,647 1,649 1,650 46,652 16,653 1,654 28,656 49,657 19,658 12,659 2,660 4,663 4,664 7,667 1,670 1,672 3,674 12,675 7,685 1,686 1,687 21,688 5,689 1,690 6,692 1,694 4,696 0.5,697 1,703 1,708 1,709 3,711 1,712 1,724 1,728 2,732 1,734 1,735 25,738 1,739 6,744 1,754 1,755 2.2,757 1,762 12.5,763 8.56,764 5.5,765 3.086,766 3.172,767 1.41,768 0.991,769 4.343,770 10.915,771 3.611,772 4.259,773 4.921,774 5.587,775 6.182,776 6.635,777 7.117,778 7.596,779 7.933,780 8.257,781 0.857,782 42,783 9.311,784 4.066,785 7.767,786 17.895,787 15.092,788 2.267,789 56.667,792 1,793 235.422,794 92.419,795 37.982,797 42.683,798 14.96,800 92.419,801 278.105,802 52.942,803 8.825,804 13.921,805 46.952,806 77.97,807 25.416,808 26.731,809 223.651,811 235.422,812 130.401,813 57.643,816 226.84,817 66.226,819 34.386,820 62.445,821 33.571,823 250.382,824 80.665,825 92.419,827 235.422,828 36.642,829 60.188,831 91.215,832 235.422,833 95.625,834 92.419,835 0.579,836 0.346,837 0.194,838 0.113,839 21,840 9,841 0.082,842 4,843 2,844 1.211,845 3.659,846 218.983,847 0.211,848 19,849 114.096,852 16.345,853 6.642,854 2.975,855 0.668,856 94.339,857 8.2,858 8.973,862 2.445,864 42.683,865 423.467,866 36,873 46.2,874 52.279,876 0.288,877 0.669,878 0.863,879 0.926,880 0.934,881 0.934,882 4.86,883 1.414,884 5.79,885 3.204,886 4.394,887 4.945,888 0.918,889 6.648,890 4.289,891 6.078,892 1.182,893 7.373,894 2.949,895 4.007,896 4.856,897 0.325,898 7.618,899 3.818,900 7.404,901 0.915,902 9.059,903 2.682,904 6.023,905 7.232,906 0.671,907 10.771,908 5.814,909 8.772,910 0.744,911 10.806,912 2.427,913 6.479,914 8.018,915 0.393,916 12.578,917 6.19,918 10.176,919 0.386,920 12.591,921 2.173,922 7.96,923 9.871,924 0.533,925 15.248,926 7.649,927 11.606,928 -0.072,929 14.403,930 0.712,931 8.803,932 11.056,933 0.384,934 17.401,935 8.423,936 13.057,937 -0.228,938 16.234,939 -0.149,940 10.08,941 12.708,942 0.438,943 19.907,944 9.667,945 3.29,946 -0.678,947 18.079,948 -0.507,949 11.101,950 14.081,951 0.351,952 22.211,953 10.628,954 2.933,955 11.476,956 19.935,957 -1.641,958 12.302,959 15.655,960 0.366,961 24.66,962 11.787,963 2.595,964 9.86,965 21.801,966 4.679,967 13.405,968 17.115,969 0.312,970 27.03,971 12.832,972 2.217,973 8.316,974 23.674,975 3.916,976 14.581,977 18.66,978 0.309,979 29.462,980 13.96,981 2.135,982 6.646,983 25.553,984 3.323,985 15.722,986 20.16,987 0.273,988 31.863,989 15.044,990 1.825,991 6.451,992 27.437,993 2.979,994 16.893,995 21.697,996 0.262,997 34.291,998 16.162,999 1.418,1000 5.402,1001 29.326,1002 2.467,1003 18.052,1004 23.217,1005 0.236,1006 36.707,1007 17.264,1008 6499,1009 10390,1010 18.898,1011 30.267,1012 42.329,1013 42.634,1014 43.963,1015 42.234,1016 42.107,1017 54.619,1018 2.178,1019 124.595,1020 39.872,1021 5.659,1022 5.425,1023 6.727,1024 5.311,1025 5.29,1026 7.679,1027 1.605,1028 18.994,1029 5.11,1030 11.053,1031 1.512,1032 1.523,1033 1.57,1034 1.508,1035 1.504,1036 1.951,1037 0.078,1038 4.45,1039 1.424,1040 4.156,1041 4.202,1042 4.135,1043 4.004,1044 8.201,1045 4.029,1046 3.878,1047 3.912,1048 3.826,1049 3.792,1050 6.477,1051 3.796,1052 3.737,1053 3.805,1054 3.618,1055 3.567,1056 5.004,1057 3.566,1058 3.55,1059 3.622,1060 3.392,1061 3.401,1062 4.625,1063 3.394,1064 3.234,1065 3.308,1066 3.141,1067 3.019,1068 4.408,1069 3.031,1070 3.062,1071 3.134,1072 2.878,1073 2.915,1074 4.197,1075 2.893,1076 3.027,1077 3.101,1078 2.871,1079 2.814,1080 3.985,1081 2.822,1082 2.9,1083 2.957,1084 2.816,1085 2.733,1086 3.625,1087 2.735,1088 0.168,1089 0.122,1090 0.245,1091 0.151,1092 0.117,1093 4.714,1094 0.167,1095 3.425,1096 0.033,1097 6.864,1098 0.41,1099 4.233,1100 0.111,1101 3.29,1102 4.679,1103 0.916,1104 11.476,1105 3.11,1106 1.939,1107 1.896,1108 2.056,1109 2.12,1110 1.359,1111 2.097,1112 1.9,1113 1.876,1114 1.995,1115 1.987,1116 1.202,1117 1.989,1118 1.688,1119 1.619,1120 1.932,1121 1.886,1122 1.084,1123 1.902,1124 1.475,1125 1.41,1126 1.656,1127 1.708,1128 0.846,1129 1.71,1130 1.301,1131 1.249,1132 1.525,1133 1.468,1134 0.753,1135 1.47,1136 1.172,1137 1.081,1138 1.454,1139 1.408,1140 0.607,1141 1.446,1142 0.968,1143 0.89,1144 1.281,1145 1.222,1146 0.425,1147 1.252,1148 0.861,1149 0.804,1150 1.122,1151 1.068,1152 0.216,1153 1.08,1154 4.043,1156 5.38,1157 2.398,1158 6.925,1159 4.727,1160 8.572,1161 6.88,1162 10.275,1164 2.185,1166 14.109,1168 10.269,1169 5.866,1174 2.391,1179 28.925,1180 73.135,1181 169.871,1182 219.329,1183 235.329,1184 237.329,1185 237.329,1186 41.933,1187 7.743,1188 53.66,1189 53.66,1190 23,1191 12.695,1192 4.087,1193 3.17,1194 35.781,1195 83,1196 105,1197 0.216,1198 175.331,1199 295.5,1200 419.568,1201 23078,1202 2.2,1203 17.389,1204 0.696,1205 0.57,1206 16.518,1207 14.243,1208 12.169,1209 0.435,1210 0.312,1211 8.616,1212 11.68,1213 8.442,1214 6.99,1215 11.758,1216 8.741,1217 10.943,1218 0.274,1219 0.163,1220 10.416,1221 6.516,1222 9.561,1223 0.171,1224 0.086,1225 9.094,1226 4.799,1227 8.27,1228 0.106,1229 0.044,1230 7.865,1231 3.423,1232 7.021,1233 0.067,1234 0.024,1235 6.826,1236 2.531,1237 0.329,1238 76.424,1239 0.23,1240 23.868,1241 0.62,1242 136,1243 416.841,1244 151.204,1245 380.16,1246 523.15,1247 356,1248 164,1249 393.983,1250 180.171,1251 391.91,1252 584.21,1253 370,1254 6.536}
{0 CHEMBL147590,1 1.796,2 11.516,3 3.978,4 15.824,5 105.021,6 9.226,7 0.629,8 3.99,9 4.083,10 3.722,11 3.544,12 5.283,13 3.579,14 4.507,15 4.64,16 4.15,17 3.951,18 5.847,19 3.979,20 4.778,21 4.942,22 4.273,23 4.067,24 6.233,25 4.095,26 4.833,27 5.013,28 4.19,29 4.002,30 6.235,31 4.028,32 4.732,33 4.912,34 4.077,35 3.949,36 6.099,37 3.949,38 4.705,39 4.894,40 4.052,41 3.944,42 6.08,43 3.926,44 4.684,45 4.876,46 4.045,47 3.873,48 6.103,49 3.88,50 4.593,51 4.788,52 3.883,53 3.72,54 6.039,55 3.742,56 0.229,57 0.919,58 5.431,59 3.962,60 31.019,61 3.812,62 0.512,63 1.507,64 11.361,65 6.508,66 46.483,67 6.748,68 0.891,69 1.989,70 18.748,71 8.875,72 126.082,73 9.095,74 1.109,75 1.802,76 22.371,77 8.735,78 151.714,79 8.404,80 0.987,81 1.582,82 19.943,83 8.132,84 139.57,85 8.553,86 0.933,87 1.504,88 20.353,89 8.392,90 121.897,91 9.754,92 0.907,93 1.622,94 20.643,95 8.692,96 138.121,97 9.607,98 1.028,99 1.535,100 19.582,101 7.249,102 152.682,103 6.813,104 26,105 52,106 0.302,107 0.662,108 0.787,109 0.877,110 0.906,111 0.906,112 3.473,113 0.815,114 -5.49,115 -5.36,116 -5.01,118 47.8,120 1,124 2,135 7,136 3,137 3,139 2,143 1,149 1,152 1,153 1,159 7,161 3,162 9,164 2,166 7,169 6,173 3,175 4,176 9,178 1,179 2,180 3,184 4,186 1,187 5,190 3,191 6,193 1,194 1,195 5,198 9,201 2,202 2,204 7,206 1,207 2,208 3,211 2,214 2,215 4,216 1581,217 20.809,218 20.809,219 20.809,220 20.809,221 20.809,222 17.997,223 16.491,224 11.812,225 21.297,226 17.227,227 17.227,228 17.227,229 17.227,230 17.227,231 12.927,232 15.964,233 5.597,234 18.128,235 3.728,236 1.58,237 0.835,238 0.304,239 0.13,240 0.13,241 4.178,245 1,246 1,247 788,248 3,251 56.359,252 313.834,254 100.056,255 111.189,258 1.759,259 59.711,262 0.75,263 1,264 1,265 0.4,267 1,268 1,269 0.74,270 70.5,271 357,272 4.716,273 3.719,274 6.869,275 4.241,276 3.296,277 4.679,278 1.23,279 11.49,280 3.122,281 4.34,282 3.387,283 6.45,284 3.994,285 3.02,286 3.954,287 0.521,288 9.947,289 2.939,290 4.276,291 3.26,292 6.386,293 3.876,294 2.906,295 3.914,297 9.678,298 2.819,299 3.977,300 3.153,301 5.954,302 3.599,303 2.671,304 3.367,306 8.274,307 2.459,308 3.795,309 2.749,310 5.854,311 3.377,312 2.424,313 3.224,315 7.86,316 2.289,317 3.558,318 2.413,319 5.317,320 3.071,321 2.158,322 2.975,324 6.488,325 1.964,326 3.204,327 2.17,328 5.134,329 2.845,330 1.899,331 2.465,333 5.907,334 1.786,335 3.15,336 2.1,337 4.97,338 2.779,339 1.822,340 2.292,342 5.402,343 1.737,344 2.861,345 2.075,346 4.053,347 2.381,348 1.414,349 2.016,350 3.529,351 1.353,352 2.82,353 1.876,354 4.02,355 2.353,356 1.414,357 1.948,358 3.204,359 1.311,360 2.568,361 1.606,362 3.83,363 2.16,364 1.185,365 1.598,366 2.949,367 1.151,368 2.403,369 1.422,370 3.792,371 1.949,372 0.951,373 1.267,374 2.463,375 0.937,376 2.189,377 0.977,378 3.671,379 1.852,380 0.865,381 1.072,382 2.386,383 0.847,384 2.1,385 0.848,386 3.576,387 1.644,388 0.73,389 1.005,390 2.061,391 0.665,392 1.361,393 0.707,394 2.851,395 0.972,396 0.09,397 0.108,398 0.203,399 0.077,400 14.124,401 0.456,402 0.925,403 0.03,404 43.25,405 1.395,406 22,407 0.71,408 21.25,409 0.685,410 23.83,411 0.769,412 32.676,413 0.71,414 36.116,415 1.165,416 8.798,417 0.284,418 6.121,419 0.197,420 0.108,422 0.446,423 3,424 0.63,425 0.998,426 0.582,427 0.965,428 0.571,429 0.826,430 0.585,431 0.921,432 0.666,433 0.922,434 0.546,435 0.863,436 0.858,437 1.063,438 0.87,439 1.092,440 0.771,441 1.013,442 1.111,443 0.849,444 1.15,445 0.928,446 1.118,447 1.004,448 0.854,449 0.805,450 1.057,451 0.983,452 0.851,453 1.066,454 0.595,455 0.71,456 0.873,457 0.91,458 0.593,459 0.993,460 0.899,461 1.03,462 0.906,463 1.074,464 0.89,465 1.024,466 1.376,467 1.067,468 1.298,469 0.912,470 1.342,471 0.994,472 6.5,473 0.198,474 4.667,475 2.535,476 2.259,477 1.313,478 0.904,479 0.559,480 0.395,481 0.325,482 12816,483 46145,484 2.12,485 32.6,487 11,488 1,490 1,491 2,494 1.739,495 1.958,496 3.498,497 -0.297,499 1,502 82.618,503 1.796,504 3.944,505 4.689,506 5.219,507 5.393,508 5.393,509 2.927,510 4.825,511 4.924,512 3.63,513 1688.11,514 8.616,515 23236.1,517 1,519 1,520 254.084,521 1.476,522 4.875,523 0.186,524 0.008,525 0.09,526 0.045,527 0.045,528 0.029,529 0.021,530 0.013,531 0.011,532 0.011,533 0.458,534 0.33,535 0.75,536 0.584,537 159.295,538 -0.063,539 -0.126,540 0.018,541 -0.032,542 -0.049,543 0.009,544 0.05,545 -0.036,546 0.049,547 -0.007,548 0.028,549 0.005,550 -0.022,551 -0.116,552 0.006,553 -0.139,554 0.049,555 -0.075,556 -0.163,557 0.031,558 -0.197,559 -0.016,560 -0.157,561 -0.086,562 -0.032,563 0.007,564 -0.125,565 -0.052,566 -0.038,567 -0.103,568 0.136,569 0.026,570 0.082,571 0.039,572 0.1,573 0.028,574 0.018,575 -0.111,576 0.107,577 -0.079,578 0.018,579 0.01,580 -0.22,581 0.024,582 -0.252,583 0.06,584 -0.195,585 -0.037,586 2.764,587 6.222,588 0.806,589 30.903,590 1.039,591 1.138,592 4.256,593 18.111,594 0.697,595 3.584,596 3.97,597 4.304,598 4.595,599 4.89,600 5.063,601 5.257,602 5.447,603 5.609,604 5.746,605 6.689,606 0.703,607 424.41,608 3.584,609 5.165,610 6.052,611 6.959,612 7.864,613 8.776,614 9.688,615 10.604,616 11.52,617 12.44,618 8.7,623 1,624 1,626 2,631 1,632 8,633 2,637 9,639 22,642 1,647 1,649 3,650 46,652 23,653 2,654 35,656 50,657 22,658 18,659 5,660 7,661 1,663 5,664 8,670 1,672 1,674 19,675 3,677 1,680 1,683 1,685 1,686 3,687 15,688 8,689 1,690 9,692 1,694 4,696 0.6,697 2,703 1,708 1,709 4,711 1,712 1,728 3,734 3,735 31,738 1,739 3,744 1,754 3,755 4.3,757 1,758 1,762 15.833,763 8.512,764 6.583,765 2.718,766 4.054,767 1.479,768 1.028,769 4.677,770 12.513,771 3.871,772 4.557,773 5.212,774 5.829,775 6.418,776 6.823,777 7.267,778 7.726,779 8.105,780 8.494,781 0.875,782 56,783 11.643,784 5.407,785 8.269,786 21.043,787 17.883,788 2.769,789 85.833,792 1,793 164.795,794 130.98,795 37.982,797 67.828,798 44.88,800 130.98,801 232.624,802 82.862,804 9.87,805 75.381,806 107.819,807 43.72,808 56.651,809 153.024,811 164.795,812 168.962,813 112.709,816 209.676,817 67.828,819 18.386,820 117.006,821 33.571,823 209.676,824 105.81,825 130.98,827 164.795,828 55.599,829 79.792,831 146.28,832 164.795,833 150.69,834 130.98,835 0.601,836 0.365,837 0.191,838 0.107,839 28,840 13,841 0.04,842 2,843 2,844 1.16,845 4.118,846 302.043,847 0.16,848 25,849 153.58,852 19.591,853 7.401,854 3.334,855 0.35,856 149.404,857 10.619,858 8.686,862 -1.086,864 42.683,865 446.466,866 47,869 12.838,872 -0.461,873 47.785,874 52.338,876 0.325,877 0.714,878 0.849,879 0.945,880 0.976,881 0.976,882 5.139,883 1.822,884 6.071,885 5.907,886 4.654,887 5.244,888 1.487,889 6.942,890 4.554,891 6.386,892 1.414,893 7.674,894 5.402,895 4.369,896 5.198,897 0.325,898 7.932,899 4.195,900 7.725,901 1.414,902 9.374,903 3.529,904 6.315,905 7.538,906 1.615,907 11.063,908 6.127,909 9.101,910 1.185,911 11.128,912 3.204,913 6.825,914 8.306,915 0.74,916 12.849,917 6.568,918 10.507,919 0.951,920 12.916,921 2.949,922 8.268,923 10.141,924 1.853,925 15.505,926 7.993,927 11.935,928 0.865,929 14.727,930 2.463,931 9.128,932 11.288,933 1.168,934 17.628,935 8.792,936 13.38,937 0.73,938 16.554,939 2.386,940 10.383,941 12.926,942 2.14,943 20.12,944 10.02,945 3.296,946 0.09,947 18.394,948 2.061,949 11.403,950 14.261,951 1.605,952 22.396,953 10.985,954 3.02,955 11.49,956 20.243,957 0.203,958 12.588,959 15.821,960 2.456,961 24.83,962 12.135,963 2.906,964 9.947,965 22.1,966 4.679,967 13.682,968 17.252,969 2.049,970 27.179,971 13.176,972 2.671,973 9.678,974 23.964,975 3.954,976 14.844,977 18.784,978 2.793,979 29.597,980 14.297,981 2.424,982 8.274,983 25.833,984 3.914,985 15.973,986 20.263,987 2.494,988 31.982,989 15.374,990 2.158,991 7.86,992 27.707,993 3.367,994 17.131,995 21.788,996 3.145,997 34.399,998 16.485,999 1.899,1000 6.488,1001 29.585,1002 3.224,1003 18.279,1004 23.292,1005 2.938,1006 36.804,1007 17.58,1008 11988,1009 22888,1010 23.293,1011 32.074,1012 54.35,1013 56.159,1014 56.552,1015 53.816,1016 53.695,1017 71.771,1018 3.503,1019 163.678,1020 50.913,1021 5.661,1022 5.719,1023 6.553,1024 5.32,1025 5.296,1026 7.679,1027 2.335,1028 19.012,1029 5.122,1030 16.368,1031 1.553,1032 1.605,1033 1.616,1034 1.538,1035 1.534,1036 2.051,1037 0.1,1038 4.677,1039 1.455,1040 4.159,1041 4.203,1042 4.138,1043 4.008,1044 8.24,1045 4.033,1046 3.94,1047 3.964,1048 3.911,1049 3.847,1050 8.201,1051 3.857,1052 3.869,1053 3.898,1054 3.822,1055 3.782,1056 8.161,1057 3.787,1058 3.64,1059 3.699,1060 3.565,1061 3.458,1062 7.427,1063 3.475,1064 3.283,1065 3.318,1066 3.253,1067 3.069,1068 6.477,1069 3.11,1070 3.092,1071 3.129,1072 3.045,1073 2.919,1074 5.003,1075 2.91,1076 3.033,1077 3.094,1078 2.871,1079 2.841,1080 4.624,1081 2.869,1082 2.9,1083 2.958,1084 2.817,1085 2.733,1086 4.502,1087 2.735,1088 0.135,1089 0.106,1090 0.196,1091 0.121,1092 0.094,1093 4.716,1094 0.134,1095 3.719,1096 0.035,1097 6.869,1098 0.328,1099 4.241,1100 0.089,1101 3.296,1102 4.679,1103 1.23,1104 11.49,1105 3.122,1106 1.949,1107 1.913,1108 2.038,1109 2.121,1110 1.307,1111 2.094,1112 1.9,1113 1.877,1114 1.995,1115 1.991,1116 1.084,1117 1.99,1118 1.863,1119 1.839,1120 1.939,1121 1.978,1122 1.04,1123 1.965,1124 1.493,1125 1.435,1126 1.638,1127 1.74,1128 0.84,1129 1.716,1130 1.3,1131 1.255,1132 1.457,1133 1.465,1134 0.643,1135 1.458,1136 1.134,1137 1.089,1138 1.341,1139 1.374,1140 0.46,1141 1.368,1142 0.93,1143 0.885,1144 1.139,1145 1.17,1146 0.208,1147 1.146,1148 0.861,1149 0.804,1150 1.119,1151 1.068,1152 0.168,1153 1.079,1154 4.263,1156 5.631,1157 2.398,1158 7.198,1159 4.727,1160 8.855,1161 6.88,1162 10.558,1166 41.005,1168 10.327,1169 0.739,1174 1.477,1179 32.353,1180 82.618,1181 181.413,1182 215.677,1183 240.084,1184 248.084,1185 248.084,1186 77.985,1187 8.459,1188 70.73,1189 70.73,1190 29,1191 12.949,1192 4.585,1193 3.7,1194 43.558,1195 123,1196 130,1197 0.173,1198 191.398,1199 334.51,1200 458.771,1201 57878,1202 6.5,1203 21.698,1204 0.7,1205 0.517,1206 19.087,1207 16.018,1208 14.919,1209 0.426,1210 0.272,1211 9.324,1212 14.152,1213 9.224,1214 7.518,1215 13.704,1216 9.512,1217 14.082,1218 0.271,1219 0.139,1220 12.425,1221 7.242,1222 12.653,1223 0.173,1224 0.073,1225 11.197,1226 5.346,1227 10.387,1228 0.106,1229 0.039,1230 9.576,1231 3.78,1232 8.759,1233 0.066,1234 0.02,1235 8.127,1236 2.686,1237 0.268,1238 95.194,1239 0.207,1240 28.756,1241 0.484,1242 174,1243 716.799,1244 199.413,1245 612.705,1246 811.52,1247 568,1248 212,1249 585.991,1250 238.152,1251 572.111,1252 850.82,1253 539,1254 6.309}
{0 CHEMBL1522,1 1.84,2 9.889,3 1.381,4 1.908,5 95.369,6 8.837,7 0.4,8 3.932,9 4.041,10 3.643,11 3.398,12 5.094,13 3.427,14 4.497,15 4.671,16 4.05,17 3.792,18 5.68,19 3.809,20 4.707,21 4.889,22 4.139,23 3.928,24 5.884,25 3.923,26 4.786,27 4.982,28 4.051,29 3.852,30 6.068,31 3.848,32 4.67,33 4.87,34 4.015,35 3.739,36 5.965,37 3.772,38 4.518,39 4.67,40 4.05,41 3.762,42 5.965,43 3.789,44 4.603,45 4.775,46 4.053,47 3.829,48 5.894,49 3.818,50 4.552,51 4.745,52 3.806,53 3.76,54 5.715,55 3.694,56 0.143,57 0.71,58 6.546,59 3.389,60 10.051,61 4.086,62 0.65,63 1.107,64 16.343,65 5.18,66 30.4,67 6.697,68 0.665,69 1.248,70 23.204,71 7.533,72 53.351,73 9.478,74 1.014,75 1.179,76 27.431,77 8.318,78 97.093,79 10.416,80 0.906,81 1.068,82 24.691,83 7.035,84 77.667,85 8.633,86 0.692,87 1.047,88 16.916,89 5.878,90 77.682,91 6.94,92 0.775,93 1.099,94 22.252,95 6.358,96 72.329,97 7.294,98 0.606,99 1.048,100 19.061,101 6.284,102 65.264,103 7.885,104 17,105 43,106 0.318,107 0.645,108 0.781,109 0.839,110 0.847,111 0.847,112 3.341,113 0.882,114 -2.24,115 -2.28,116 -2.25,118 38.6,123 1,124 4,127 1,135 2,137 1,138 3,139 2,140 1,149 1,150 1,159 1,161 6,162 2,166 1,168 6,169 3,173 1,175 7,176 2,183 6,184 5,190 6,191 4,197 1,198 4,203 1,204 2,210 3,211 3,216 1188,217 18.206,218 18.206,219 18.206,220 18.206,221 18.206,222 16.531,223 23.043,224 10.594,225 18.925,226 14.776,227 14.776,228 14.776,229 14.776,230 14.776,231 12.201,232 29.26,233 5.027,234 15.978,235 3.619,236 1.73,237 0.943,238 0.608,239 0.563,240 0.563,241 4.035,243 1,244 1,245 1,246 1,247 580,248 2.915,251 56.087,252 224.442,254 108.67,258 1.243,259 38.15,262 1,263 0.83,264 1,265 0.8,266 0.5,267 1,268 1,269 0.88,270 60.333,271 267,272 4.6,273 3.959,274 7.118,275 4.324,276 3.378,277 4.107,278 2.249,279 12.362,280 3.197,281 4.029,282 3.732,283 6.077,284 3.735,285 2.806,286 3.632,287 1.411,288 8.65,289 2.591,290 3.959,291 3.008,292 6.047,293 3.566,294 2.634,295 3.121,296 0.999,297 8.634,298 2.446,299 3.595,300 2.941,301 5.584,302 3.227,303 2.308,304 2.923,305 0.8,306 6.892,307 2.114,308 3.395,309 2.758,310 5.135,311 3.136,312 2.245,313 2.521,314 0.562,315 6.185,316 1.975,317 3.288,318 2.617,319 5.017,320 2.996,321 2.039,322 2.383,323 0.122,324 5.977,325 1.913,326 3.095,327 2.157,328 4.75,329 2.637,330 1.714,331 2.257,333 4.827,334 1.54,335 2.678,336 2.031,337 4.141,338 2.274,339 1.331,340 1.726,342 3.49,343 1.241,344 2.552,345 1.346,346 3.642,347 2.164,348 1.215,349 1.516,350 2.882,351 1.135,352 2.5,353 1.275,354 3.634,355 1.967,356 1,357 1.5,358 2.275,359 0.965,360 2.344,361 1.146,362 3.414,363 1.958,364 1,365 1.216,366 2.275,367 0.955,368 2,369 1.106,370 3.414,371 1.821,372 0.883,373 1,374 2.193,375 0.818,376 1.511,377 1,378 3.13,379 1.086,380 0.16,381 0.196,382 0.397,383 0.136,384 0.95,385 0.458,386 2.58,387 0.728,388 -0.213,389 -0.223,390 -0.471,391 -0.182,392 0.932,393 0.273,394 2.321,395 0.503,396 -0.399,397 -0.484,398 -0.935,399 -0.32,400 12.614,401 0.467,402 0.716,403 0.027,404 35.5,405 1.315,406 15.5,407 0.574,408 20,409 0.741,410 21.334,411 0.79,412 29.386,413 0.668,414 28.014,415 1.038,416 7.182,417 0.266,418 5.86,419 0.217,420 0.149,422 0.373,424 0.756,425 1.791,426 0.559,427 1.206,428 0.535,429 0.976,430 0.814,431 1.037,432 0.692,433 0.698,434 0.543,435 0.73,436 0.912,437 1.047,438 0.914,439 1.111,440 0.789,441 1.024,442 1.171,443 0.967,444 0.786,445 0.923,446 1.286,447 0.909,448 1.339,449 0.784,450 0.615,451 0.679,452 1.449,453 0.644,454 1.116,455 1.115,456 0.728,457 0.874,458 1.128,459 0.842,460 1.316,461 1.009,462 1.123,463 0.954,464 1.337,465 0.984,466 1.07,467 1.122,468 1.082,469 1.142,470 1.35,471 1.266,472 5,473 0.107,474 3.556,475 2.611,476 1.637,477 1.282,478 0.755,479 0.468,480 0.253,481 0.25,482 8165,483 26147,484 2.097,485 38.6,487 13,488 1,489 3,494 1.708,495 1.952,496 3.229,497 -0.623,498 1,499 1,502 80.977,503 1.84,504 3.729,505 4.516,506 4.851,507 4.897,508 4.897,509 2.624,510 4.282,511 4.723,512 3.365,513 1181.28,514 8.241,515 14686,517 1,520 240.215,521 1.447,522 4.681,523 0.167,524 0.009,525 0.083,526 0.058,527 0.04,528 0.031,529 0.018,530 0.012,531 0.009,532 0.012,533 0.438,534 0.5,535 1,536 0.584,537 131.243,538 -0.077,539 -0.553,540 0.042,541 -0.238,542 -0.021,543 -0.094,544 0.083,545 0.114,546 0.057,547 0.189,548 0.078,549 0.135,550 0.02,551 0.009,552 -0.034,553 -0.16,554 0.011,555 -0.092,556 0.055,557 -0.058,558 0.061,559 0.02,560 0.012,561 0.05,562 -0.045,563 0.131,564 0.194,565 0.237,566 -0.035,567 0.294,568 0.024,569 -0.048,570 0.045,571 0.051,572 0.194,573 0.036,574 -0.222,575 0.038,576 -0.135,577 -0.001,578 -0.148,579 -0.082,580 -0.195,581 -0.078,582 -0.23,583 -0.193,584 -0.263,585 -0.324,586 2.359,587 5.832,588 0.778,589 22.296,590 1.028,591 1.138,592 1.009,593 1.018,594 0.678,595 3.434,596 3.784,597 4.094,598 4.394,599 4.673,600 4.771,601 4.905,602 5.011,603 5.081,604 5.106,605 5.749,606 0.665,607 388.85,608 3.434,609 4.99,610 5.861,611 6.758,612 7.653,613 8.561,614 9.467,615 10.382,616 11.295,617 12.214,618 13.6,619 1,623 2,626 3,632 5,633 3,637 4,639 12,642 1,649 1,650 44,652 14,654 30,656 47,657 17,658 9,661 1,663 4,664 5,665 1,674 11,675 6,677 2,680 2,683 2,685 1,687 17,688 9,690 10,691 1,694 6,696 0.75,697 3,699 1,702 1,708 1,709 3,711 1,724 1,725 1,728 3,732 1,733 1,735 27,739 4,741 1,743 1,744 3,754 1,755 6.8,758 2,760 1,762 13.833,763 8.343,764 5.861,765 2.563,766 2.212,767 1.294,768 0.977,769 4.955,770 9.737,771 3.664,772 4.205,773 4.727,774 5.246,775 5.764,776 5.944,777 6.308,778 6.618,779 6.906,780 7.11,781 0.857,782 45,783 10.042,784 4.414,785 7.942,786 18.659,787 15.323,788 2.442,789 65.944,793 200.109,794 85.723,795 59.73,796 39.149,797 61.29,800 85.723,801 300.547,802 59.73,803 8.396,804 14.671,805 18.952,806 140.664,807 50.281,808 20.862,809 153.024,810 39.149,811 200.109,812 145.453,813 61.29,814 39.149,816 200.109,817 61.29,819 50.452,820 44.645,821 89.505,823 200.109,824 121.019,825 124.872,827 200.109,828 31.232,829 63.864,831 150.795,832 200.109,833 121.019,834 124.872,835 0.588,836 0.349,837 0.19,838 0.113,839 22,840 10,841 0.064,842 3,843 1,844 1.095,845 3.778,846 242.806,847 0.095,848 21,849 124.382,852 18.107,853 7.389,854 3.481,856 121.019,857 7.507,858 12.486,862 1.178,865 446,866 38,869 25.498,872 -0.928,873 45.218,874 50.053,876 0.337,877 0.683,878 0.827,879 0.889,880 0.897,881 0.897,882 4.927,883 1.331,884 5.861,885 4.827,886 4.466,887 4.89,888 2.798,889 6.713,890 4.318,891 6.113,892 1.215,893 7.446,894 3.49,895 4.111,896 4.635,897 2.141,898 7.711,899 3.875,900 7.412,901 1,902 9.134,903 2.882,904 6.094,905 6.959,906 3.794,907 10.864,908 5.81,909 8.743,910 1,911 10.884,912 2.275,913 6.567,914 7.5,915 3.82,916 12.75,917 6.216,918 10.109,919 0.883,920 12.676,921 2.275,922 8.039,923 9.334,924 5.15,925 15.451,926 7.638,927 11.5,928 0.16,929 14.498,930 2.193,931 8.901,932 10.261,933 5.513,934 17.714,935 8.447,936 12.912,937 -0.213,938 16.343,939 0.397,940 10.183,941 11.883,942 6.644,943 20.278,944 9.678,945 3.378,946 -0.399,947 18.207,948 -0.471,949 11.229,950 13.015,951 7.189,952 22.694,953 10.678,954 2.806,955 12.362,956 20.086,957 -0.935,958 12.447,959 14.532,960 8.197,961 25.218,962 11.844,963 2.634,964 8.65,965 21.978,966 4.107,967 13.579,968 15.78,969 8.847,970 27.694,971 12.929,972 2.308,973 8.634,974 23.881,975 3.632,976 14.78,977 17.242,978 9.78,979 30.208,980 14.079,981 2.245,982 6.892,983 25.793,984 3.121,985 15.953,986 18.555,987 10.492,988 32.707,989 15.203,990 2.039,991 6.185,992 27.713,993 2.923,994 17.153,995 19.989,996 11.378,997 35.22,998 16.352,999 1.714,1000 5.977,1001 29.639,1002 2.521,1003 18.345,1004 21.341,1005 12.128,1006 37.728,1007 17.494,1008 7816,1009 14182,1010 19.997,1011 29.824,1012 46.157,1013 47.526,1014 47.67,1015 45.602,1016 45.426,1017 56.196,1018 12.285,1019 134.077,1020 42.051,1021 5.6,1022 5.959,1023 6.796,1024 5.435,1025 5.378,1026 7.107,1027 4.012,1028 19.876,1029 5.142,1030 13.206,1031 1.539,1032 1.584,1033 1.589,1034 1.52,1035 1.514,1036 1.873,1037 0.409,1038 4.469,1039 1.402,1040 4.016,1041 4.053,1042 4.032,1043 3.849,1044 7.434,1045 3.877,1046 3.835,1047 3.907,1048 3.891,1049 3.685,1050 7.427,1051 3.695,1052 3.797,1053 3.834,1054 3.731,1055 3.616,1056 5.029,1057 3.633,1058 3.416,1059 3.456,1060 3.411,1061 3.168,1062 4.948,1063 3.2,1064 3.289,1065 3.344,1066 3.294,1067 3.02,1068 4.477,1069 3.061,1070 3.111,1071 3.206,1072 3.102,1073 2.941,1074 4.39,1075 2.91,1076 3.035,1077 3.079,1078 2.877,1079 2.755,1080 4.282,1081 2.769,1082 2.836,1083 2.881,1084 2.866,1085 2.731,1086 3.983,1087 2.724,1088 0.153,1089 0.132,1090 0.237,1091 0.144,1092 0.113,1093 4.6,1094 0.137,1095 3.959,1096 0.075,1097 7.118,1098 0.412,1099 4.324,1100 0.107,1101 3.378,1102 4.107,1103 2.249,1104 12.362,1105 3.197,1106 1.817,1107 1.785,1108 1.981,1109 2.019,1110 1.28,1111 2.01,1112 1.773,1113 1.715,1114 1.887,1115 1.955,1116 0.968,1117 1.942,1118 1.736,1119 1.684,1120 1.812,1121 1.922,1122 0.853,1123 1.893,1124 1.327,1125 1.299,1126 1.558,1127 1.625,1128 0.825,1129 1.582,1130 1.197,1131 1.126,1132 1.513,1133 1.482,1134 0.651,1135 1.474,1136 1.153,1137 1.064,1138 1.397,1139 1.376,1140 0.549,1141 1.429,1142 1.031,1143 0.992,1144 1.172,1145 1.277,1146 0.258,1147 1.246,1148 0.838,1149 0.798,1150 1.087,1151 1.099,1152 0.237,1153 1.098,1154 4.111,1156 5.451,1157 2.398,1158 6.991,1159 4.949,1160 8.619,1161 7.222,1162 10.295,1164 1.998,1165 5.891,1169 2.639,1171 5.678,1173 -1.026,1174 5.023,1179 29.261,1180 80.977,1181 164.076,1182 198.705,1183 213.46,1184 215.46,1185 215.46,1186 52.149,1187 7.525,1188 91.76,1189 91.76,1190 23,1191 12.725,1192 3.907,1193 3.17,1194 39.878,1195 88,1196 111,1197 0.215,1198 181.935,1199 317.88,1200 435.681,1201 18022,1202 2.3,1203 18.966,1204 0.702,1205 0.568,1206 19.466,1207 15.334,1208 13.042,1209 0.435,1210 0.294,1211 8.28,1212 12.001,1213 8.107,1214 6.641,1215 13.33,1216 8.823,1217 11.965,1218 0.278,1219 0.157,1220 12.374,1221 6.763,1222 10.316,1223 0.175,1224 0.081,1225 10.604,1226 4.772,1227 8.592,1228 0.107,1229 0.039,1230 8.758,1231 3.151,1232 7.335,1233 0.069,1234 0.021,1235 7.549,1236 2.222,1237 0.326,1238 86.531,1239 0.224,1240 25.412,1241 0.624,1242 146,1243 509.281,1244 183.059,1245 508.329,1246 677.32,1247 474,1248 175,1249 471.344,1250 208.819,1251 479.629,1252 713.22,1253 449,1254 4.824}
{0 CHEMBL174535,1 1.405,2 7.095,3 3.848,4 14.803,5 83.261,6 7.838,7 0.522,8 3.646,9 3.751,10 3.271,11 3.292,12 4.843,13 3.265,14 4.123,15 4.278,16 3.611,17 3.65,18 5.245,19 3.613,20 4.384,21 4.541,22 3.803,23 3.854,24 5.587,25 3.808,26 4.461,27 4.635,28 3.719,29 3.864,30 5.62,31 3.793,32 4.51,33 4.725,34 3.64,35 3.841,36 5.587,37 3.745,38 4.425,39 4.654,40 3.476,41 3.712,42 5.519,43 3.604,44 4.218,45 4.439,46 3.166,47 3.487,48 5.42,49 3.358,50 3.952,51 4.221,52 2.451,53 3.035,54 5.162,55 2.822,56 0.01,57 0.449,58 5.944,59 2.915,60 7.354,61 3.694,62 0.122,63 0.756,64 11.058,65 4.606,66 12.078,67 5.949,68 0.175,69 0.966,70 14.782,71 6.232,72 27.372,73 7.891,74 0.132,75 1.025,76 16.594,77 6.941,78 32.027,79 8.732,80 0.13,81 1.085,82 18.8,83 7.711,84 31.244,85 10.234,86 0.136,87 0.973,88 18.063,89 7.398,90 32.827,91 9.833,92 0.114,93 0.775,94 14.464,95 6.037,96 32.91,97 7.894,98 0.092,99 0.576,100 12.267,101 5.072,102 46.724,103 6.861,104 11,105 32,106 0.253,107 0.607,108 0.73,109 0.833,110 0.848,111 0.848,112 3.105,113 0.871,114 -4.48,115 -4.41,116 -4.15,118 51.4,123 1,124 1,132 1,133 1,135 8,136 3,137 1,148 1,149 1,159 12,161 1,162 4,166 14,168 2,169 5,173 12,176 8,180 8,184 9,187 9,191 7,195 10,198 4,202 8,204 2,208 4,215 1,216 523,217 14.353,218 14.353,219 14.353,220 14.353,221 14.353,222 12.522,223 14.71,224 8.43,225 14.48,226 11.26,227 11.26,228 11.26,229 11.26,230 11.26,231 8.373,232 18.414,233 3.902,234 11.446,235 3.725,236 1.76,237 1.072,238 0.5,239 0.422,240 0.422,241 3.785,244 1,245 1,246 1,247 316,248 2.121,252 96.227,253 52.444,256 83.042,258 0.88,259 16.44,261 1,262 1,263 1,264 1,265 0.6,266 0.5,267 1,268 1,269 0.87,270 44,271 149,272 4.547,273 3.771,274 6.832,275 4.195,276 3.22,277 4.171,278 1.988,279 11.301,280 3.141,281 4.055,282 3.219,283 6.197,284 3.697,285 2.722,286 3.59,287 0.701,288 8.98,289 2.65,290 3.923,291 2.863,292 5.574,293 3.486,294 2.489,295 3.199,296 0.485,297 7.271,298 2.476,299 3.57,300 2.615,301 5.179,302 3.085,303 2.079,304 2.802,306 6.161,307 2.086,308 3.343,309 2.092,310 4.761,311 2.856,312 1.88,313 2.587,315 4.976,316 1.83,317 2.955,318 1.577,319 3.915,320 2.327,321 1.331,322 1.888,324 3.113,325 1.325,326 2.771,327 1.368,328 3.64,329 2.053,330 1.085,331 1.519,333 2.625,334 1.048,335 2.551,336 1.197,337 3.406,338 2,339 1,340 1.5,342 2.136,343 1,344 2.5,345 1,346 3.247,347 1.71,348 0.72,349 1.143,350 1.721,351 0.707,352 2.009,353 0.725,354 2.987,355 1.398,356 0.412,357 0.654,358 0.709,359 0.405,360 1.432,361 0.608,362 2.744,363 1.145,364 0.152,365 0.186,366 0.337,367 0.149,368 0.965,369 -0.124,370 2.342,371 0.473,372 -0.515,373 -0.709,374 -1.097,375 -0.505,376 0.707,377 -0.429,378 2.14,379 0.234,380 -0.766,381 -1.088,382 -1.754,383 -0.764,384 0.649,385 -0.731,386 2,387 0.136,388 -0.871,389 -1.286,390 -2.347,391 -0.868,392 0.5,393 -0.774,394 1.656,396 -1,397 -1.5,398 -2.518,399 -1,400 10.133,401 0.483,402 0.469,403 0.022,404 30.5,405 1.452,406 17.5,407 0.833,408 13,409 0.619,410 13.15,411 0.626,412 20.467,413 0.585,414 21.92,415 1.044,416 6.324,417 0.301,418 3.879,419 0.185,420 0.132,422 0.336,424 0.633,425 1.155,426 0.717,427 0.941,428 0.603,429 0.854,430 0.817,431 0.939,432 0.815,433 0.798,434 0.621,435 0.791,436 1.024,437 1.024,438 0.914,439 0.932,440 0.921,441 0.915,442 1.281,443 1.125,444 1.117,445 1.078,446 1.227,447 1.078,448 0.949,449 1.036,450 1.016,451 1.024,452 0.824,453 1.021,454 1.017,455 0.954,456 0.99,457 0.984,458 0.919,459 0.985,460 1.159,461 1.004,462 1.193,463 1.151,464 1.225,465 1.175,466 1.034,467 1.046,468 1.238,469 1.255,470 1.49,471 1.279,472 3.5,474 2.667,475 1.625,476 1.349,477 0.851,478 0.531,479 0.222,480 0.074,481 0.016,482 3672,483 10084,484 2.074,485 40,487 13,488 1,494 1.642,495 1.938,496 2.825,497 -0.844,499 1,501 1,502 49.163,503 1.405,504 3.369,505 4.058,506 4.629,507 4.708,508 4.708,509 2.147,510 4.107,511 4.364,512 2.919,513 613.053,514 7.531,515 6318.71,517 1,518 1,519 1,520 179.525,521 1.418,522 4.322,523 0.152,525 0.083,526 0.043,527 0.04,528 0.027,529 0.02,530 0.012,531 0.011,532 0.016,533 0.404,534 0.83,535 1,536 0.819,537 91.583,538 0.011,539 -0.155,540 0.051,541 -0.048,542 -0.055,543 -0.006,544 0.069,545 0.123,546 0.048,547 0.099,548 -0.03,549 0.079,550 0.079,551 0.003,552 -0.021,553 -0.02,554 0.023,555 -0.034,556 -0.164,557 -0.129,558 -0.196,559 -0.146,560 -0.15,561 -0.17,562 -0.057,563 -0.05,564 -0.044,565 -0.058,566 -0.018,567 -0.049,568 -0.046,569 -0.003,570 0.019,571 0.011,572 0.046,573 0.022,574 -0.113,575 -0.075,576 -0.191,577 -0.155,578 -0.034,579 -0.174,580 -0.037,581 -0.177,582 -0.147,583 -0.2,584 -0.032,585 -0.19,586 1.698,587 5.087,588 0.81,589 13.043,590 0.995,591 1.106,592 3.249,593 10.557,594 0.715,595 3.178,596 3.497,597 3.807,598 4.06,599 4.344,600 4.489,601 4.575,602 4.554,603 4.522,604 4.511,605 4.45,606 0.683,607 274.34,608 3.178,609 4.71,610 5.572,611 6.454,612 7.339,613 8.231,614 9.124,615 10.021,616 10.918,617 11.817,618 5.7,623 1,625 1,632 8,637 4,639 12,640 1,650 35,652 15,653 2,654 23,656 37,657 18,658 12,659 4,660 8,661 1,663 3,664 4,673 2,674 14,675 2,677 2,680 1,682 1,683 2,685 1,687 14,688 3,690 3,694 2,696 0.667,697 1,709 2,710 1,713 1,715 1,716 1,720 1,728 2,732 1,735 21,739 1,744 1,747 1,748 1,753 1,755 2.9,758 1,762 10.833,763 6.817,764 4.722,765 2.006,766 2.72,767 1.397,768 1.001,769 3.396,770 9.564,771 3.526,772 4.078,773 4.691,774 5.247,775 5.822,776 6.139,777 6.534,778 6.76,779 6.988,780 7.27,781 0.8,782 38,783 7.718,784 3.25,785 7.786,786 14.623,787 11.832,788 2.286,789 48,793 164.795,794 146.439,795 19.91,797 25.145,800 146.439,801 189.94,802 19.91,803 8.396,804 5.23,805 75.81,806 32.606,807 29.099,808 52.123,809 153.024,811 164.795,812 166.349,813 25.145,816 164.795,817 25.145,819 22.016,820 127.302,821 17.031,823 164.795,824 45.055,825 146.439,827 164.795,828 21.881,829 87.331,830 17.031,831 65.252,832 164.795,833 45.055,834 146.439,835 0.577,836 0.353,837 0.19,838 0.111,839 16,840 7,841 0.027,842 1,843 1,844 1.118,845 3.184,846 169.106,847 0.118,848 17,849 88.239,852 13.302,853 5.361,854 2.378,856 45.055,857 15.482,862 3.486,865 356.289,866 33,869 12.087,871 4.498,872 0.774,873 34.833,874 38.697,876 0.274,877 0.657,878 0.791,879 0.902,880 0.918,881 0.918,882 4.762,883 1,884 5.557,885 2.625,886 4.174,887 4.762,888 2.192,889 6.392,890 4.141,891 5.98,892 0.72,893 7.133,894 2.136,895 3.761,896 4.443,897 1.668,898 7.365,899 3.705,900 7.288,901 0.412,902 8.815,903 1.721,904 5.784,905 6.924,906 3.105,907 10.499,908 5.708,909 8.631,910 0.152,911 10.559,912 0.709,913 6.217,914 7.44,915 3.205,916 12.31,917 6.109,918 10.004,919 -0.515,920 12.344,921 0.337,922 7.694,923 9.356,924 4.301,925 14.971,926 7.57,927 11.399,928 -0.766,929 14.155,930 -1.097,931 8.511,932 10.279,933 4.681,934 17.126,935 8.353,936 12.813,937 -0.871,938 15.986,939 -1.754,940 9.779,941 11.943,942 5.592,943 19.629,944 9.602,945 3.22,946 -1,947 17.832,948 -2.347,949 10.778,950 13.087,951 6.113,952 21.931,953 10.567,954 2.722,955 11.301,956 19.69,957 -2.518,958 11.966,959 14.627,960 6.924,961 24.378,962 11.735,963 2.489,964 8.98,965 21.556,966 4.171,967 13.05,968 15.893,969 7.519,970 26.746,971 12.787,972 2.079,973 7.271,974 23.43,975 3.59,976 14.212,977 17.372,978 8.275,979 29.174,980 13.927,981 1.88,982 6.161,983 25.311,984 3.199,985 15.335,986 18.707,987 8.911,988 31.571,989 15.021,990 1.331,991 4.976,992 27.196,993 2.802,994 16.492,995 20.155,996 9.636,997 33.993,998 16.153,999 1.085,1000 3.113,1001 29.087,1002 2.587,1003 17.635,1004 21.529,1005 10.295,1006 36.404,1007 17.269,1008 3650,1009 6128,1010 15.315,1011 25.034,1012 35.755,1013 35.631,1014 35.827,1015 34.189,1016 34.178,1017 46.477,1018 6.348,1019 98.658,1020 33.632,1021 5.394,1022 5.771,1023 6.634,1024 5.217,1025 5.22,1026 7.171,1027 3.469,1028 18.779,1029 5.141,1030 9.45,1031 1.555,1032 1.549,1033 1.558,1034 1.486,1035 1.486,1036 2.021,1037 0.276,1038 4.289,1039 1.462,1040 4.036,1041 4.064,1042 3.998,1043 3.968,1044 7.427,1045 3.971,1046 3.837,1047 3.867,1048 3.771,1049 3.782,1050 5.447,1051 3.775,1052 3.589,1053 3.628,1054 3.524,1055 3.418,1056 4.846,1057 3.438,1058 3.261,1059 3.345,1060 3.159,1061 3.099,1062 4.629,1063 3.098,1064 3.179,1065 3.206,1066 3.113,1067 3.069,1068 4.331,1069 3.081,1070 2.975,1071 3.041,1072 2.779,1073 2.802,1074 3.992,1075 2.783,1076 2.854,1077 2.925,1078 2.687,1079 2.735,1080 3.674,1081 2.715,1082 2.722,1083 2.787,1084 2.577,1085 2.617,1086 3.587,1087 2.6,1088 0.198,1089 0.164,1090 0.297,1091 0.182,1092 0.14,1093 4.547,1094 0.181,1095 3.771,1096 0.086,1097 6.832,1098 0.491,1099 4.195,1100 0.137,1101 3.22,1102 4.171,1103 1.988,1104 11.301,1105 3.141,1106 1.972,1107 1.951,1108 2.056,1109 2.041,1110 1.176,1111 2.047,1112 1.85,1113 1.823,1114 1.961,1115 1.943,1116 1.041,1117 1.949,1118 1.535,1119 1.486,1120 1.72,1121 1.768,1122 0.829,1123 1.755,1124 1.333,1125 1.294,1126 1.536,1127 1.498,1128 0.614,1129 1.514,1130 1.086,1131 1.015,1132 1.349,1133 1.267,1134 0.346,1135 1.3,1136 0.991,1137 0.93,1138 1.215,1139 1.159,1140 0.218,1141 1.177,1142 0.886,1143 0.821,1144 1.181,1145 1.062,1146 0.166,1147 1.107,1148 0.75,1149 0.692,1150 1.031,1151 0.917,1152 0.061,1153 0.96,1154 3.85,1156 5.165,1158 6.688,1159 2.708,1160 8.302,1161 5.38,1162 9.964,1164 1.764,1169 0.14,1174 1.634,1177 5.498,1178 2.637,1179 23.918,1180 49.163,1181 117.915,1182 142.015,1183 162.015,1184 164.77,1185 164.77,1186 30.099,1187 6.844,1188 32.67,1189 32.67,1190 19,1191 12.34,1192 4,1193 3.459,1194 31.753,1195 55,1196 58,1197 0.293,1198 149.563,1199 265.47,1200 356.694,1201 7331,1203 14.82,1204 0.706,1205 0.557,1206 14.82,1207 11.706,1208 10.203,1209 0.444,1210 0.29,1211 6.617,1212 9.971,1213 6.407,1214 5.347,1215 10.203,1216 6.679,1217 8.891,1218 0.278,1219 0.152,1220 8.891,1221 4.86,1222 7.975,1223 0.181,1224 0.081,1225 7.975,1226 3.573,1227 6.338,1228 0.111,1229 0.043,1230 6.338,1231 2.423,1232 5.344,1233 0.07,1234 0.022,1235 5.344,1236 1.685,1237 0.429,1238 62.87,1239 0.256,1240 20.052,1241 0.903,1242 110,1243 303.026,1244 116.35,1245 303.697,1246 418.75,1247 284,1248 131,1249 308.918,1250 138.072,1251 319.228,1252 464.91,1253 300,1254 8.155}
{0 CHEMBL19732,1 1.509,2 7.65,3 2.432,4 5.916,5 75.798,6 8.429,7 0.522,8 3.579,9 3.679,10 3.275,11 3.225,12 4.759,13 3.218,14 4.068,15 4.191,16 3.655,17 3.617,18 5.218,19 3.6,20 4.32,21 4.502,22 3.723,23 3.671,24 5.535,25 3.652,26 4.23,27 4.422,28 3.592,29 3.533,30 5.475,31 3.514,32 4.087,33 4.268,34 3.391,35 3.431,36 5.299,37 3.394,38 3.984,39 4.175,40 3.176,41 3.303,42 5.174,43 3.237,44 3.806,45 4.013,46 2.882,47 3.121,48 4.913,49 3.023,50 3.555,51 3.782,52 2.487,53 2.882,54 4.511,55 2.737,56 0.034,57 0.45,58 4.545,59 2.462,60 4.165,61 2.896,62 0.079,63 0.737,64 8.122,65 4.021,66 10.659,67 4.786,68 0.186,69 0.953,70 13.57,71 5.32,72 27.041,73 6.378,74 0.25,75 0.899,76 12.677,77 4.634,78 29.815,79 5.421,80 0.148,81 0.719,82 10.974,83 4.387,84 25.283,85 5.004,86 0.14,87 0.621,88 10.425,89 4.31,90 26.047,91 5.059,92 0.125,93 0.517,94 9.077,95 3.76,96 22.906,97 4.582,98 0.068,99 0.403,100 7.037,101 3.091,102 12.474,103 4.078,104 2,105 33,106 0.278,107 0.546,108 0.662,109 0.808,110 0.865,111 0.865,112 3.06,113 0.842,114 -4,115 -3.95,116 -3.75,118 51.6,121 1,135 9,136 1,137 2,146 1,148 1,149 1,157 1,159 8,161 1,162 9,166 9,168 1,169 8,173 5,175 3,176 10,180 4,184 7,187 5,191 6,195 5,198 3,202 7,204 1,208 7,215 4,216 394,217 13.983,218 13.983,219 13.983,220 13.983,221 13.983,222 12.125,223 16.016,224 8.263,225 14.113,226 11.371,227 11.371,228 11.371,229 11.371,230 11.371,231 8.538,232 24.293,233 3.924,234 11.575,235 3.445,236 1.992,237 1.359,238 0.568,239 0.258,240 0.258,241 3.763,244 1,245 1,246 1,247 345,248 1.871,251 28.386,252 122.134,254 51.887,255 62.361,258 1.185,259 16.686,262 1,263 1,264 1,265 0.4,267 1,268 1,269 0.77,270 42.5,271 153,272 4.582,273 4.015,274 6.938,275 4.292,276 3.312,277 4.105,278 2.199,279 11.686,280 3.244,281 4.161,282 3.19,283 6.385,284 3.819,285 2.845,286 3.646,287 1.193,288 9.711,289 2.77,290 3.765,291 2.745,292 5.796,293 3.394,294 2.4,295 3.188,296 0.71,297 7.756,298 2.38,299 3.329,300 2.496,301 5.09,302 2.838,303 1.863,304 2.515,305 0.176,306 5.608,307 1.813,308 3.132,309 2.201,310 4.622,311 2.722,312 1.741,313 2.315,315 4.558,316 1.704,317 2.936,318 1.73,319 4.088,320 2.47,321 1.477,322 2.088,324 3.368,325 1.463,326 2.684,327 1.466,328 3.609,329 2.195,330 1.19,331 1.665,333 2.809,334 1.19,335 2.577,336 1.214,337 3.569,338 2.04,339 1.049,340 1.542,342 2.681,343 1.036,344 2.5,345 1,346 3.287,347 2,348 1,349 1.5,350 2.136,351 1,352 2.139,353 0.983,354 3.247,355 1.662,356 0.684,357 0.944,358 1.664,359 0.666,360 1.36,361 0.751,362 2.631,363 0.781,364 -0.229,365 -0.318,366 -0.577,367 -0.228,368 0.932,369 -0.185,370 2.531,371 0.476,372 -0.507,373 -0.687,374 -1.239,375 -0.497,376 0.675,377 -0.488,378 2.303,379 0.284,380 -0.7,381 -0.871,382 -1.673,383 -0.687,384 0.586,385 -0.554,386 2.06,387 0.084,388 -0.923,389 -1.406,390 -2.192,391 -0.927,392 0.5,393 -0.914,394 2,396 -1,397 -1.5,398 -2.347,399 -1,400 9.533,401 0.477,402 0.415,403 0.021,404 30.5,405 1.525,406 17.5,407 0.875,408 13,409 0.65,410 11.341,411 0.567,412 19.267,413 0.622,414 19.561,415 0.978,416 6.086,417 0.304,418 3.758,419 0.188,420 0.035,422 0.357,424 0.546,425 1.022,426 0.627,427 0.88,428 0.532,429 0.789,430 0.655,431 1.276,432 0.807,433 1.061,434 0.67,435 0.975,436 1.13,437 1.164,438 0.894,439 0.95,440 0.988,441 0.891,442 1.256,443 0.988,444 1.02,445 0.905,446 1.1,447 0.909,448 1.495,449 0.949,450 1.099,451 0.966,452 1.501,453 0.968,454 1.443,455 0.905,456 1.149,457 1.018,458 1.601,459 1.046,460 1.25,461 0.847,462 1.2,463 1,464 1.42,465 1.087,466 0.643,467 0.922,468 1.224,469 1.174,470 0.692,471 1.271,472 2.5,474 2.444,475 1.701,476 1.188,477 0.709,478 0.265,479 0.097,480 0.037,481 0.023,482 3764,483 9835,484 2.226,485 35.5,487 9,489 1,491 1,494 1.622,495 2.143,496 2.953,497 -0.787,499 1,501 1,502 46.771,503 1.509,504 2.962,505 3.595,506 4.386,507 4.696,508 4.696,509 2.441,510 4.122,511 4.294,512 3.018,513 573.328,514 7.356,515 5568.62,516 1,517 1,519 1,520 153.58,521 1.188,522 4.278,523 0.109,525 0.074,526 0.05,527 0.041,528 0.03,529 0.014,530 0.007,531 0.004,532 0.006,533 0.334,534 0.83,535 1,536 0.432,537 86.154,538 0.092,539 -0.014,540 0.067,541 -0.016,542 -0.038,543 0.009,544 0.093,545 -0.263,546 -0.046,547 -0.19,548 -0.076,549 -0.154,550 -0.01,551 -0.129,552 0.056,553 -0.033,554 0.044,555 0.013,556 0.018,557 0.102,558 -0.046,559 -0.007,560 0.046,561 -0.028,562 -0.231,563 0.034,564 -0.131,565 -0.017,566 -0.097,567 -0.043,568 -0.208,569 0.01,570 -0.141,571 -0.02,572 -0.108,573 -0.059,574 -0.203,575 0.05,576 -0.17,577 0.026,578 -0.173,579 -0.052,580 -0.058,581 -0.052,582 -0.202,583 -0.125,584 -0.1,585 -0.176,586 1.718,587 5.47,588 0.95,589 12.4,590 1.005,591 1.109,592 2.773,593 7.687,594 0.726,595 3.178,596 3.526,597 3.892,598 4.22,599 4.489,600 4.605,601 4.787,602 4.913,603 4.956,604 4.905,605 4.528,606 0.706,607 261.3,608 3.178,609 4.727,610 5.617,611 6.521,612 7.43,613 8.345,614 9.261,615 10.182,616 11.102,617 12.026,618 9.7,623 1,625 2,632 9,637 3,639 12,650 31,652 15,653 2,654 23,656 34,657 16,658 12,659 3,660 9,661 2,663 4,664 7,666 1,671 1,674 15,675 1,676 1,677 3,680 1,681 1,682 2,683 2,684 1,685 1,687 11,688 4,690 4,694 3,696 0.5,697 1,708 1,709 3,711 1,712 1,717 1,728 2,735 20,743 1,744 1,755 3.2,758 1,762 9.333,763 5.683,764 4.333,765 1.862,766 3.132,767 1.433,768 1.046,769 2.38,770 10.372,771 3.497,772 4.078,773 4.696,774 5.303,775 5.83,776 6.088,777 6.55,778 6.948,779 7.303,780 7.573,781 1,782 34,783 7.386,784 3.276,785 7.733,786 14.05,787 11.944,788 2.233,789 44.667,790 0.001,793 129.482,794 110.494,795 36.45,797 25.145,800 110.494,801 154.627,802 36.45,804 3.002,805 85.286,806 53.425,807 42.148,809 117.711,811 129.482,812 146.944,813 25.145,816 129.482,817 25.145,819 36.45,820 101.447,821 9.047,823 129.482,824 61.595,825 110.494,827 129.482,828 16.16,829 97.335,831 58.593,832 129.482,833 61.595,834 110.494,835 0.582,836 0.359,837 0.208,838 0.116,839 19,840 7,841 0.029,842 1,843 2,844 1.211,845 3.265,846 164.713,847 0.211,848 19,849 82.439,852 11.272,853 4.224,854 1.664,856 61.595,857 17.225,862 2.585,865 301.571,866 32,869 12.47,870 1.687,871 8.873,872 0.73,873 31.167,874 34.365,876 0.305,877 0.598,878 0.726,879 0.885,880 0.948,881 0.948,882 4.736,883 1.049,884 5.602,885 2.809,886 4.205,887 4.762,888 2.564,889 6.472,890 4.168,891 5.939,892 1,893 7.191,894 2.681,895 3.761,896 4.35,897 1.917,898 7.483,899 3.702,900 7.243,901 0.684,902 8.888,903 2.136,904 5.838,905 6.894,906 3.592,907 10.66,908 5.757,909 8.585,910 -0.229,911 10.651,912 1.664,913 6.293,914 7.342,915 3.713,916 12.534,917 6.188,918 9.964,919 -0.507,920 12.455,921 -0.577,922 7.808,923 9.305,924 4.926,925 15.219,926 7.683,927 11.37,928 -0.7,929 14.288,930 -1.239,931 8.672,932 10.185,933 5.4,934 17.425,935 8.523,936 12.796,937 -0.923,938 16.141,939 -1.673,940 9.97,941 11.872,942 6.397,943 19.95,944 9.801,945 3.312,946 -1,947 18.007,948 -2.192,949 11.015,950 12.983,951 7.032,952 22.292,953 10.822,954 2.845,955 11.686,956 19.884,957 -2.347,958 12.233,959 14.531,960 7.925,961 24.763,962 12.02,963 2.4,964 9.711,965 21.77,966 4.105,967 13.356,968 15.769,969 8.636,970 27.163,971 13.121,972 1.863,973 7.756,974 23.662,975 3.646,976 14.548,977 17.245,978 9.478,979 29.618,980 14.292,981 1.741,982 5.608,983 25.56,984 3.188,985 15.706,986 18.554,987 10.227,988 32.045,989 15.429,990 1.477,991 4.558,992 27.462,993 2.515,994 16.891,995 19.993,996 11.043,997 34.496,998 16.594,999 1.19,1000 3.368,1001 29.368,1002 2.315,1003 18.065,1004 21.342,1005 11.81,1006 36.937,1007 17.747,1008 3518,1009 5791,1010 16.008,1011 22.517,1012 35.784,1013 36.467,1014 35.869,1015 35.124,1016 35.122,1017 47.017,1018 8.554,1019 103.953,1020 34.531,1021 5.483,1022 6.015,1023 6.74,1024 5.332,1025 5.312,1026 7.105,1027 3.795,1028 19.318,1029 5.244,1030 5.008,1031 1.556,1032 1.586,1033 1.56,1034 1.527,1035 1.527,1036 2.044,1037 0.372,1038 4.52,1039 1.501,1040 4.053,1041 4.087,1042 4.019,1043 3.951,1044 7.427,1045 3.961,1046 3.871,1047 3.903,1048 3.807,1049 3.807,1050 4.937,1051 3.803,1052 3.62,1053 3.655,1054 3.556,1055 3.488,1056 4.753,1057 3.501,1058 3.156,1059 3.227,1060 3.089,1061 2.933,1062 4.44,1063 2.962,1064 2.916,1065 2.956,1066 2.85,1067 2.791,1068 4.339,1069 2.793,1070 2.854,1071 2.925,1072 2.699,1073 2.735,1074 3.674,1075 2.715,1076 2.797,1077 2.836,1078 2.687,1079 2.654,1080 3.651,1081 2.657,1082 2.645,1083 2.721,1084 2.499,1085 2.476,1086 3.513,1087 2.477,1088 0.199,1089 0.175,1090 0.302,1091 0.187,1092 0.144,1093 4.582,1094 0.178,1095 4.015,1096 0.096,1097 6.938,1098 0.508,1099 4.292,1100 0.141,1101 3.312,1102 4.105,1103 2.199,1104 11.686,1105 3.244,1106 1.947,1107 1.922,1108 2.034,1109 2.037,1110 1.168,1111 2.038,1112 1.884,1113 1.854,1114 2.005,1115 1.984,1116 1.067,1117 1.991,1118 1.498,1119 1.466,1120 1.643,1121 1.651,1122 0.82,1123 1.649,1124 1.164,1125 1.114,1126 1.254,1127 1.442,1128 0.294,1129 1.388,1130 0.958,1131 0.903,1132 1.181,1133 1.161,1134 0.218,1135 1.158,1136 0.886,1137 0.821,1138 1.17,1139 1.062,1140 0.212,1141 1.107,1142 0.747,1143 0.704,1144 0.972,1145 0.928,1146 0.09,1147 0.943,1148 0.592,1149 0.519,1150 0.85,1151 0.845,1153 0.861,1154 3.85,1156 5.187,1157 2.398,1158 6.746,1159 4.844,1160 8.403,1161 7.05,1162 10.109,1173 -0.37,1174 1.466,1179 21.886,1180 46.771,1181 91.831,1182 111.441,1183 135.97,1184 145.58,1185 145.58,1186 25.9,1187 7.24,1188 45.03,1189 45.03,1190 23,1191 12.533,1192 4,1193 3.322,1194 26.048,1195 56,1196 51,1197 0.246,1198 132.707,1199 232.15,1200 315.565,1201 12349,1203 13.527,1204 0.676,1205 0.53,1206 13.527,1207 10.601,1208 9.843,1209 0.428,1210 0.281,1211 6.39,1212 9.567,1213 6.284,1214 5.18,1215 9.843,1216 6.455,1217 8.77,1218 0.266,1219 0.144,1220 8.77,1221 4.744,1222 8.089,1223 0.169,1224 0.073,1225 8.089,1226 3.521,1227 7.129,1228 0.106,1229 0.038,1230 7.129,1231 2.536,1232 5.963,1233 0.068,1234 0.02,1235 5.963,1236 1.76,1237 0.367,1238 61.037,1239 0.25,1240 19.399,1241 0.737,1242 112,1243 312.671,1244 120.737,1245 308.355,1246 434.02,1247 290,1248 137,1249 333.972,1250 147.485,1251 337.002,1252 499.95,1253 320,1254 6.699}
{0 CHEMBL20042,1 1.665,2 8.333,3 3.097,4 9.59,5 80.603,6 9.54,7 0.5,8 3.588,9 3.678,10 3.378,11 3.259,12 4.789,13 3.251,14 4.079,15 4.189,16 3.793,17 3.662,18 5.273,19 3.644,20 4.336,21 4.5,22 3.863,23 3.729,24 5.601,25 3.705,26 4.244,27 4.419,28 3.681,29 3.576,30 5.519,31 3.551,32 4.094,33 4.267,34 3.498,35 3.448,36 5.322,37 3.415,38 3.997,39 4.173,40 3.407,41 3.353,42 5.236,43 3.293,44 3.829,45 4.01,46 3.311,47 3.209,48 5.109,49 3.127,50 3.582,51 3.778,52 2.89,53 2.99,54 4.634,55 2.851,56 0.057,57 0.438,58 3.213,59 2.254,60 4.417,61 2.533,62 0.122,63 0.717,64 6.072,65 3.795,66 11.127,67 4.221,68 0.283,69 0.928,70 14.26,71 5.466,72 31.039,73 5.88,74 0.328,75 0.884,76 13.118,77 4.783,78 32.077,79 4.954,80 0.231,81 0.709,82 9.91,83 4.378,84 26.408,85 4.706,86 0.221,87 0.605,88 10.099,89 4.345,90 29.136,91 4.834,92 0.228,93 0.499,94 9.697,95 3.86,96 32.363,97 4.383,98 0.116,99 0.385,100 8.1,101 3.17,102 14.737,103 3.858,104 5,105 35,106 0.307,107 0.601,108 0.735,109 0.854,110 0.865,111 0.865,112 3.105,113 0.867,114 -4.51,115 -4.44,116 -4.18,118 51.6,121 1,135 8,136 1,137 3,146 1,148 1,149 1,157 1,159 6,161 1,162 9,166 9,168 1,169 8,173 7,175 3,176 9,180 4,184 7,187 5,191 6,195 4,198 4,202 7,208 7,211 1,215 3,216 466,217 14.43,218 14.43,219 14.43,220 14.43,221 14.43,222 12.547,223 17.617,224 8.35,225 14.697,226 11.837,227 11.837,228 11.837,229 11.837,230 11.837,231 8.943,232 24.934,233 3.961,234 12.318,235 3.289,236 1.694,237 0.968,238 0.323,239 0.258,240 0.258,241 3.806,243 1,244 1,245 1,246 1,247 392,248 2,251 30.967,252 132.934,254 56.711,255 68.151,258 1.302,259 20.293,262 1,263 1,264 1,265 0.4,267 1,268 1,269 0.77,270 44.833,271 175,272 4.583,273 4.015,274 6.938,275 4.293,276 3.312,277 4.106,278 2.199,279 11.687,280 3.244,281 4.18,282 3.192,283 6.386,284 3.827,285 2.855,286 3.718,287 1.193,288 9.715,289 2.773,290 3.878,291 2.953,292 5.802,293 3.459,294 2.495,295 3.318,296 0.71,297 7.789,298 2.405,299 3.449,300 2.646,301 5.132,302 3.066,303 2.156,304 2.715,305 0.176,306 6.084,307 1.897,308 3.323,309 2.495,310 4.998,311 2.826,312 1.855,313 2.502,315 5.554,316 1.79,317 3.046,318 2.178,319 4.519,320 2.528,321 1.545,322 2.217,324 4.175,325 1.502,326 2.712,327 1.524,328 4.062,329 2.316,330 1.339,331 1.718,333 3.291,334 1.285,335 2.606,336 1.37,337 3.607,338 2.064,339 1.065,340 1.575,342 2.74,343 1.055,344 2.5,345 1.063,346 3.414,347 2,348 1,349 1.5,350 2.275,351 1,352 2.191,353 1,354 3.336,355 1.689,356 0.718,357 0.999,358 1.729,359 0.689,360 1.422,361 0.819,362 2.72,363 0.853,364 -0.076,365 -0.099,366 -0.178,367 -0.059,368 1.005,369 0.335,370 2.541,371 0.531,372 -0.406,373 -0.519,374 -0.982,375 -0.345,376 0.9,377 -0.197,378 2.311,379 0.455,380 -0.511,381 -0.688,382 -1.254,383 -0.498,384 0.624,385 -0.503,386 2.12,387 0.135,388 -0.847,389 -1.142,390 -2.106,391 -0.786,392 0.5,393 -0.661,394 2,396 -1,397 -1.47,398 -3,399 -0.999,400 10.248,401 0.488,402 0.521,403 0.025,404 31.25,405 1.488,406 17.5,407 0.833,408 13.75,409 0.655,410 13.08,411 0.623,412 20.352,413 0.657,414 20.463,415 0.974,416 6.158,417 0.293,418 4.079,419 0.194,420 0.102,422 0.381,424 0.534,425 1.02,426 0.496,427 0.789,428 0.53,429 0.737,430 0.643,431 1.275,432 0.629,433 0.951,434 0.638,435 0.912,436 1.142,437 1.17,438 0.959,439 0.971,440 1.007,441 0.926,442 1.214,443 1,444 1.018,445 0.962,446 1.12,447 0.983,448 1.14,449 0.977,450 0.709,451 0.955,452 1.368,453 0.978,454 1.165,455 0.918,456 0.821,457 0.973,458 1.471,459 1.012,460 0.969,461 0.833,462 0.937,463 0.951,464 1.149,465 0.998,466 0.87,467 0.901,468 1.284,469 1.136,470 0.811,471 1.249,472 3.5,473 0.025,474 2.889,475 1.764,476 1.379,477 0.82,478 0.355,479 0.194,480 0.095,481 0.087,482 4305,483 13576,484 2.185,485 32.3,487 8,489 1,491 1,494 1.634,495 2.066,496 3.052,497 -0.75,499 1,501 1,502 51.606,503 1.665,504 3.26,505 3.986,506 4.632,507 4.696,508 4.696,509 2.529,510 4.011,511 4.363,512 3.128,513 656.821,514 7.489,515 6619.89,516 1,517 1,518 1,519 1,520 153.58,521 1.342,522 4.334,523 0.146,524 0.008,525 0.083,526 0.049,527 0.046,528 0.033,529 0.017,530 0.011,531 0.009,532 0.012,533 0.414,534 0.67,535 1,536 0.532,537 92.672,538 0.053,539 -0.012,540 0.024,541 -0.016,542 -0.046,543 0.004,544 0.049,545 -0.259,546 -0.015,547 -0.147,548 -0.051,549 -0.132,550 -0.107,551 -0.129,552 -0.075,553 -0.06,554 -0.005,555 -0.029,556 -0.1,557 0.102,558 -0.176,559 -0.066,560 -0.037,561 -0.1,562 -0.101,563 0.021,564 -0.017,565 -0.029,566 -0.095,567 -0.038,568 -0.069,569 0.005,570 0.036,571 0.021,572 -0.082,573 -0.006,574 0.092,575 0.062,576 0.121,577 0.092,578 0.081,579 0.056,580 -0.096,581 -0.039,582 -0.117,583 -0.063,584 -0.129,585 -0.138,586 1.759,587 5.522,588 0.905,589 13.741,590 1.016,591 1.107,592 3.284,593 10.783,594 0.754,595 3.219,596 3.584,597 3.932,598 4.248,599 4.533,600 4.663,601 4.836,602 4.97,603 5.05,604 5.017,605 4.818,606 0.733,607 295.74,608 3.219,609 4.779,610 5.666,611 6.572,612 7.479,613 8.394,614 9.309,615 10.229,616 11.149,617 12.071,618 9.7,623 1,625 2,632 8,637 4,639 12,649 1,650 31,652 15,653 2,654 24,656 34,657 16,658 12,659 4,660 8,661 2,663 4,664 7,665 1,666 1,671 1,674 15,675 1,676 1,677 3,680 1,681 1,682 2,683 2,684 1,685 1,687 10,688 4,690 5,691 1,694 3,696 0.5,697 1,708 1,709 3,711 1,712 1,717 1,728 2,733 1,735 21,743 1,744 1,754 1,755 3.2,758 1,762 10.167,763 5.743,764 4.5,765 1.842,766 3.154,767 1.429,768 1.04,769 2.742,770 10.506,771 3.526,772 4.127,773 4.736,774 5.336,775 5.878,776 6.151,777 6.598,778 6.986,779 7.369,780 7.656,781 0.833,782 36,783 7.743,784 3.445,785 7.807,786 14.611,787 12.422,788 2.307,789 48.444,793 117.711,794 104.518,795 36.45,796 39.149,797 25.145,800 104.518,801 182.005,802 36.45,804 3.002,805 75.81,806 53.425,807 45.648,809 105.94,810 39.149,811 117.711,812 140.969,813 25.145,814 39.149,816 117.711,817 25.145,819 36.45,820 95.471,821 48.196,823 117.711,824 61.595,825 143.667,827 117.711,828 19.661,829 87.859,831 97.742,832 117.711,833 61.595,834 143.667,835 0.591,836 0.358,837 0.199,838 0.114,839 20,840 8,841 0.029,842 1,843 2,844 1.211,845 3.331,846 175.533,847 0.211,848 19,849 88.239,852 12.455,853 4.624,854 1.921,856 61.595,857 14.758,862 3.09,865 322.973,866 33,869 12.522,870 1.666,871 8.852,872 0.658,873 31.491,874 34.309,876 0.336,877 0.658,878 0.805,879 0.935,880 0.948,881 0.948,882 4.779,883 1.065,884 5.666,885 3.291,886 4.263,887 4.812,888 2.564,889 6.535,890 4.193,891 5.995,892 1,893 7.259,894 2.74,895 3.892,896 4.511,897 1.917,898 7.542,899 3.76,900 7.308,901 0.718,902 8.955,903 2.275,904 5.905,905 6.965,906 3.592,907 10.697,908 5.781,909 8.657,910 -0.076,911 10.712,912 1.729,913 6.382,914 7.475,915 3.713,916 12.555,917 6.219,918 10.039,919 -0.406,920 12.508,921 -0.178,922 7.867,923 9.384,924 4.926,925 15.235,926 7.701,927 11.445,928 -0.511,929 14.333,930 -0.982,931 8.731,932 10.296,933 5.4,934 17.433,935 8.54,936 12.869,937 -0.847,938 16.177,939 -1.254,940 10.014,941 11.953,942 6.397,943 19.956,944 9.813,945 3.312,946 -1,947 18.036,948 -2.106,949 11.054,950 13.079,951 7.032,952 22.295,953 10.833,954 2.855,955 11.687,956 19.908,957 -3,958 12.264,959 14.609,960 7.925,961 24.766,962 12.028,963 2.495,964 9.715,965 21.789,966 4.106,967 13.383,968 15.853,969 8.636,970 27.165,971 13.128,972 2.156,973 7.789,974 23.677,975 3.718,976 14.57,977 17.319,978 9.478,979 29.62,980 14.298,981 1.855,982 6.084,983 25.571,984 3.318,985 15.725,986 18.629,987 10.227,988 32.047,989 15.434,990 1.545,991 5.554,992 27.471,993 2.715,994 16.908,995 20.061,996 11.043,997 34.497,998 16.598,999 1.339,1000 4.175,1001 29.375,1002 2.502,1003 18.08,1004 21.41,1005 11.81,1006 36.938,1007 17.751,1008 4053,1009 7298,1010 16.414,1011 23.375,1012 37.531,1013 38.259,1014 38.054,1015 36.884,1016 36.679,1017 48.737,1018 8.554,1019 110.079,1020 35.281,1021 5.485,1022 6.015,1023 6.622,1024 5.333,1025 5.312,1026 7.106,1027 3.795,1028 19.319,1029 5.244,1030 7.796,1031 1.564,1032 1.594,1033 1.586,1034 1.537,1035 1.528,1036 2.031,1037 0.356,1038 4.587,1039 1.47,1040 4.054,1041 4.087,1042 4.049,1043 3.953,1044 7.427,1045 3.963,1046 3.876,1047 3.902,1048 3.937,1049 3.822,1050 4.972,1051 3.815,1052 3.622,1053 3.655,1054 3.619,1055 3.492,1056 4.895,1057 3.504,1058 3.159,1059 3.226,1060 3.29,1061 2.948,1062 4.511,1063 2.973,1064 2.919,1065 2.955,1066 3.031,1067 2.809,1068 4.362,1069 2.805,1070 2.854,1071 2.925,1072 2.844,1073 2.735,1074 4.199,1075 2.715,1076 2.814,1077 2.834,1078 2.687,1079 2.682,1080 3.674,1081 2.687,1082 2.653,1083 2.719,1084 2.564,1085 2.49,1086 3.585,1087 2.49,1088 0.191,1089 0.167,1090 0.289,1091 0.179,1092 0.138,1093 4.583,1094 0.171,1095 4.015,1096 0.092,1097 6.938,1098 0.487,1099 4.293,1100 0.135,1101 3.312,1102 4.106,1103 2.199,1104 11.687,1105 3.244,1106 1.947,1107 1.922,1108 2.034,1109 2.037,1110 1.168,1111 2.038,1112 1.878,1113 1.855,1114 1.963,1115 1.969,1116 1.065,1117 1.974,1118 1.498,1119 1.466,1120 1.642,1121 1.649,1122 0.819,1123 1.647,1124 1.158,1125 1.115,1126 1.216,1127 1.429,1128 0.264,1129 1.372,1130 0.957,1131 0.904,1132 1.181,1133 1.161,1134 0.218,1135 1.157,1136 0.886,1137 0.821,1138 1.153,1139 1.062,1140 0.197,1141 1.107,1142 0.731,1143 0.706,1144 0.903,1145 0.894,1146 0.061,1147 0.902,1148 0.592,1149 0.519,1150 0.85,1151 0.825,1153 0.851,1154 3.892,1156 5.242,1157 2.398,1158 6.804,1159 4.844,1160 8.459,1161 7.05,1162 10.163,1165 5.883,1173 -0.407,1174 1.421,1179 22.714,1180 51.606,1181 101.051,1182 123.58,1183 143.58,1184 145.58,1185 145.58,1186 29.493,1187 7.352,1188 45.03,1189 45.03,1190 23,1191 12.579,1192 4,1193 3.322,1194 27.933,1195 62,1196 65,1197 0.236,1198 141.04,1199 247.36,1200 335.897,1201 14206,1202 3.2,1203 14.397,1204 0.686,1205 0.555,1206 14.897,1207 11.657,1208 10.237,1209 0.427,1210 0.289,1211 6.519,1212 9.652,1213 6.378,1214 5.228,1215 10.526,1216 6.933,1217 9.392,1218 0.268,1219 0.152,1220 9.8,1221 5.321,1222 8.5,1223 0.17,1224 0.077,1225 8.788,1226 3.843,1227 7.281,1228 0.106,1229 0.039,1230 7.448,1231 2.675,1232 6.193,1233 0.067,1234 0.021,1235 6.407,1236 1.91,1237 0.355,1238 66.576,1239 0.247,1240 20.345,1241 0.694,1242 118,1243 346.874,1244 142.256,1245 370.448,1246 505.37,1247 346,1248 144,1249 360.834,1250 164.244,1251 373.513,1252 553.21,1253 354,1254 7.398}
{0 CHEMBL204738,1 1.565,2 7.182,3 1.907,4 3.635,5 82.392,6 7.928,7 0.5,8 3.715,9 3.828,10 3.331,11 3.299,12 4.903,13 3.288,14 4.2,15 4.349,16 3.686,17 3.655,18 5.423,19 3.627,20 4.493,21 4.674,22 3.821,23 3.81,24 5.724,25 3.778,26 4.481,27 4.673,28 3.795,29 3.783,30 5.687,31 3.751,32 4.495,33 4.674,34 3.83,35 3.819,36 5.836,37 3.785,38 4.549,39 4.743,40 3.661,41 3.789,42 5.76,43 3.723,44 4.469,45 4.711,46 3.353,47 3.615,48 5.593,49 3.493,50 4.173,51 4.416,52 2.847,53 3.203,54 5.374,55 3.056,56 0.038,57 0.538,58 6.466,59 3.098,60 6.935,61 3.819,62 0.18,63 0.857,64 11.749,65 5.091,66 20.596,67 6.577,68 0.392,69 1.104,70 17.949,71 6.488,72 56.2,73 8.185,74 0.255,75 1.082,76 17.809,77 6.469,78 40.394,79 8.422,80 0.327,81 1.086,82 17.684,83 6.703,84 59.832,85 8.645,86 0.303,87 1.102,88 19.58,89 7.162,90 50.655,91 8.919,92 0.237,93 0.954,94 19.872,95 7.52,96 40.897,97 10.079,98 0.231,99 0.654,100 15.456,101 5.722,102 45.556,103 7.381,104 12,105 33,106 0.28,107 0.579,108 0.683,109 0.798,110 0.858,111 0.871,112 3.149,113 0.869,114 -3.86,115 -3.82,116 -3.63,118 45.9,119 1,127 1,135 9,136 2,137 1,148 1,149 2,159 10,162 3,164 3,165 3,166 11,168 1,169 3,170 2,171 1,172 2,173 8,175 1,176 7,179 4,180 6,183 1,184 6,185 1,186 7,187 8,191 5,194 6,195 9,198 6,201 2,202 8,204 5,208 5,211 1,215 1,216 606,217 14.845,218 14.845,219 14.845,220 14.845,221 14.845,222 12.899,223 14.087,224 8.962,225 14.941,226 11.887,227 11.887,228 11.887,229 11.887,230 11.887,231 8.967,232 20.132,233 4.289,234 12.048,235 3.644,236 1.975,237 1.396,238 0.753,239 0.419,240 0.345,241 3.829,244 1,245 1,246 1,247 334,248 2.646,252 105.159,253 54.782,256 91.357,258 0.942,259 22.88,261 1,262 1,263 1,264 1,265 0.6,267 1,268 1,269 0.8,270 47.5,271 158,272 4.501,273 3.81,274 6.716,275 4.145,276 3.167,277 4.1,278 2.044,279 10.949,280 3.096,281 3.945,282 3.485,283 6.007,284 3.678,285 2.693,286 3.488,287 1.896,288 8.534,289 2.641,290 3.883,291 3.188,292 5.78,293 3.495,294 2.513,295 3.111,296 0.791,297 7.873,298 2.467,299 3.461,300 2.637,301 4.813,302 3.096,303 2.068,304 2.639,305 0.209,306 5.297,307 2.107,308 3.337,309 2.241,310 4.594,311 2.846,312 1.867,313 2.612,314 0.059,315 4.829,316 1.824,317 2.894,318 1.808,319 3.908,320 2.457,321 1.47,322 2.052,324 3.251,325 1.448,326 2.769,327 1.523,328 3.829,329 2.312,330 1.313,331 1.885,333 2.988,334 1.311,335 2.602,336 1.311,337 3.585,338 2.108,339 1.112,340 1.558,342 2.803,343 1.098,344 2.5,345 1.057,346 3.353,347 2,348 1,349 1.5,350 2.136,351 1,352 2.077,353 1,354 3.247,355 1.595,356 0.614,357 0.83,358 1.637,359 0.598,360 1.317,361 0.629,362 2.787,363 0.933,364 -0.047,365 -0.06,366 -0.119,367 -0.046,368 0.907,369 0.408,370 2.489,371 0.589,372 -0.377,373 -0.423,374 -1.005,375 -0.361,376 0.686,377 -0.084,378 2.232,379 0.262,380 -0.737,381 -0.979,382 -1.725,383 -0.734,384 0.651,385 -0.147,386 2,387 0.136,388 -0.897,389 -1.203,390 -2,391 -0.893,392 0.5,393 -0.656,394 1.769,395 0.08,396 -1,397 -1.413,398 -2.207,399 -1,400 10.367,401 0.471,402 0.524,403 0.024,404 31,405 1.409,406 17,407 0.773,408 14,409 0.636,410 14.282,411 0.649,412 22.633,413 0.612,414 23.043,415 1.047,416 6.465,417 0.294,418 4.183,419 0.19,420 0.113,422 0.338,424 0.688,425 1.164,426 0.731,427 0.946,428 0.568,429 0.853,430 0.545,431 1.16,432 0.805,433 1.046,434 0.56,435 0.983,436 1.104,437 0.964,438 0.993,439 0.866,440 1.138,441 0.903,442 1.008,443 1.105,444 0.906,445 0.948,446 0.888,447 0.904,448 0.879,449 1.074,450 0.918,451 0.994,452 0.76,453 0.957,454 1.36,455 1.042,456 1.242,457 1.085,458 1.291,459 1.127,460 0.946,461 0.943,462 1.064,463 1.103,464 0.932,465 1.106,466 1.346,467 0.953,468 1.249,469 1.192,470 1.575,471 1.222,472 4,474 2.222,475 1.438,476 1.513,477 0.65,478 0.582,479 0.286,480 0.137,481 0.031,482 4191,483 12318,484 2.07,485 40.5,487 9,488 1,490 2,491 3,494 1.656,495 1.941,496 2.861,497 0.304,498 1,499 1,501 1,502 57.905,503 1.565,504 3.235,505 3.814,506 4.456,507 4.79,508 4.865,509 2.191,510 3.88,511 4.431,512 2.97,513 686.134,514 7.67,515 7386.15,516 1,517 1,519 1,520 192.75,521 1.395,522 4.392,523 0.167,525 0.067,526 0.039,527 0.042,528 0.018,529 0.019,530 0.014,531 0.012,532 0.016,533 0.394,534 0.67,535 1,536 1,537 97.946,538 -0.067,539 -0.049,540 0.023,541 0.022,542 -0.076,543 0.038,544 0.194,545 -0.076,546 0.027,547 -0.092,548 0.05,549 -0.074,550 -0.009,551 0.097,552 -0.059,553 0.064,554 -0.108,555 -0.002,556 -0.045,557 -0.061,558 0.032,559 -0.009,560 -0.01,561 0.022,562 0.106,563 -0.04,564 0.005,565 -0.044,566 0.188,567 -0.032,568 -0.248,569 -0.046,570 -0.282,571 -0.133,572 -0.169,573 -0.194,574 -0.049,575 -0.053,576 -0.041,577 -0.096,578 0.015,579 -0.068,580 -0.14,581 -0.134,582 -0.167,583 -0.172,584 -0.137,585 -0.177,586 2.278,587 5.256,588 0.773,589 14.917,590 1.007,591 1.119,592 2.634,593 6.938,594 0.689,595 3.219,596 3.526,597 3.784,598 4.078,599 4.357,600 4.454,601 4.585,602 4.635,603 4.615,604 4.533,605 4.636,606 0.666,607 293.35,608 3.219,609 4.745,610 5.587,611 6.466,612 7.336,613 8.224,614 9.106,615 9.997,616 10.884,617 11.776,618 8.1,623 2,625 1,632 9,637 3,639 12,640 1,650 37,652 15,653 2,654 24,656 39,657 17,658 12,659 3,660 9,661 1,663 3,664 4,667 1,674 15,675 2,677 3,680 2,682 1,683 3,684 1,685 1,687 15,688 5,689 2,690 5,694 3,696 0.667,697 2,709 2,710 1,713 1,719 2,728 2,732 1,735 22,740 2,743 1,755 5.4,758 2,762 11.333,763 6.867,764 4.861,765 2.103,766 2.552,767 1.371,768 0.987,769 3.923,770 9.441,771 3.526,772 4.078,773 4.6,774 5.173,775 5.733,776 5.949,777 6.362,778 6.677,779 6.934,780 7.15,781 0.8,782 37,783 8.134,784 3.484,785 7.924,786 15.183,787 12.26,788 2.424,789 53.333,793 153.024,794 115.405,795 52.807,797 50.29,800 115.405,801 203.314,802 52.807,803 8.825,804 36.022,805 85.286,806 62.456,807 25.913,808 11.771,809 141.253,811 153.024,812 168.212,813 50.29,816 153.024,817 50.29,819 61.632,820 106.58,823 153.024,824 103.097,825 115.405,827 153.024,828 21.294,829 94.111,830 36.022,831 67.075,832 153.024,833 103.097,834 115.405,835 0.573,836 0.324,837 0.189,838 0.115,839 16,840 7,841 0.051,842 2,843 1,844 1.118,845 3.287,846 178.511,847 0.118,848 17,849 94.107,852 14.332,853 6.021,854 3.038,856 103.097,857 17.054,862 2.402,864 36.022,865 371.527,866 33,869 23.582,871 4.481,872 0.018,873 37.262,874 41.405,876 0.3,877 0.621,878 0.732,879 0.855,880 0.92,881 0.934,882 4.745,883 1.112,884 5.565,885 2.988,886 4.205,887 4.762,888 2.723,889 6.372,890 4.174,891 5.941,892 1,893 7.116,894 2.803,895 3.761,896 4.425,897 2.25,898 7.273,899 3.729,900 7.235,901 0.614,902 8.772,903 2.136,904 5.778,905 6.865,906 3.732,907 10.406,908 5.705,909 8.561,910 -0.047,911 10.493,912 1.637,913 6.155,914 7.323,915 3.859,916 12.165,917 6.07,918 9.918,919 -0.377,920 12.256,921 -0.119,922 7.647,923 9.247,924 4.948,925 14.805,926 7.53,927 11.299,928 -0.737,929 14.048,930 -1.005,931 8.417,932 10.113,933 5.343,934 16.918,935 8.28,936 12.699,937 -0.897,938 15.86,939 -1.725,940 9.69,941 11.793,942 6.246,943 19.389,944 9.526,945 3.167,946 -1,947 17.688,948 -2,949 10.652,950 12.889,951 6.777,952 21.654,953 10.464,954 2.693,955 10.949,956 19.528,957 -2.207,958 11.835,959 14.439,960 7.585,961 24.067,962 11.624,963 2.513,964 8.534,965 21.376,966 4.1,967 12.89,968 15.668,969 8.19,970 26.4,971 12.653,972 2.068,973 7.873,974 23.232,975 3.488,976 14.04,977 17.148,978 8.947,979 28.794,980 13.781,981 1.867,982 5.297,983 25.094,984 3.111,985 15.14,986 18.454,987 9.594,988 31.158,989 14.855,990 1.47,991 4.829,992 26.961,993 2.639,994 16.28,995 19.898,996 10.324,997 33.548,998 15.973,999 1.313,1000 3.251,1001 28.832,1002 2.612,1003 17.402,1004 21.247,1005 10.994,1006 35.927,1007 17.071,1008 4162,1009 7227,1010 16.008,1011 25.495,1012 36.441,1013 37.134,1014 36.736,1015 35.631,1016 35.635,1017 47.55,1018 9.998,1019 100.595,1020 35.182,1021 5.399,1022 5.81,1023 6.518,1024 5.161,1025 5.167,1026 7.1,1027 3.562,1028 18.126,1029 5.096,1030 9.856,1031 1.518,1032 1.547,1033 1.531,1034 1.485,1035 1.485,1036 1.981,1037 0.417,1038 4.191,1039 1.466,1040 4.027,1041 4.058,1042 3.985,1043 3.95,1044 7.434,1045 3.953,1046 3.824,1047 3.857,1048 3.752,1049 3.76,1050 7.424,1051 3.754,1052 3.663,1053 3.709,1054 3.591,1055 3.443,1056 4.878,1057 3.475,1058 3.404,1059 3.446,1060 3.315,1061 3.189,1062 4.686,1063 3.208,1064 3.153,1065 3.2,1066 3.099,1067 2.993,1068 4.402,1069 3.011,1070 2.895,1071 2.981,1072 2.756,1073 2.735,1074 3.938,1075 2.726,1076 2.854,1077 2.925,1078 2.687,1079 2.73,1080 3.883,1081 2.715,1082 2.744,1083 2.816,1084 2.587,1085 2.605,1086 3.674,1087 2.593,1088 0.188,1089 0.159,1090 0.28,1091 0.173,1092 0.132,1093 4.501,1094 0.171,1095 3.81,1096 0.085,1097 6.716,1098 0.456,1099 4.145,1100 0.129,1101 3.167,1102 4.1,1103 2.044,1104 10.949,1105 3.096,1106 1.961,1107 1.937,1108 2.055,1109 2.036,1110 1.161,1111 2.044,1112 1.832,1113 1.802,1114 1.956,1115 1.937,1116 1.022,1117 1.94,1118 1.595,1119 1.546,1120 1.767,1121 1.846,1122 0.827,1123 1.824,1124 1.339,1125 1.289,1126 1.558,1127 1.596,1128 0.643,1129 1.586,1130 1.131,1131 1.09,1132 1.281,1133 1.321,1134 0.365,1135 1.312,1136 0.886,1137 0.821,1138 1.181,1139 1.106,1140 0.219,1141 1.129,1142 0.882,1143 0.814,1144 1.158,1145 1.062,1146 0.218,1147 1.107,1148 0.739,1149 0.676,1150 1.021,1151 0.958,1152 0.096,1153 0.984,1154 3.892,1156 5.198,1158 6.698,1159 2.708,1160 8.287,1161 5.38,1162 9.925,1164 1.364,1170 5.377,1173 -0.944,1179 24.655,1180 57.905,1181 119.691,1182 141.101,1183 164.875,1184 177.24,1185 179.995,1186 36.688,1187 6.889,1188 70.56,1189 70.56,1190 19,1191 12.305,1192 4,1193 3.322,1194 33.99,1195 60,1196 58,1197 0.284,1198 153.689,1199 270.6,1200 366.761,1201 7842,1203 15.527,1204 0.706,1205 0.547,1206 15.527,1207 12.037,1208 10.648,1209 0.444,1210 0.29,1211 6.877,1212 10.318,1213 6.705,1214 5.579,1215 10.648,1216 6.955,1217 9.609,1218 0.291,1219 0.151,1220 9.609,1221 4.982,1222 7.601,1223 0.177,1224 0.078,1225 7.601,1226 3.334,1227 6.558,1228 0.113,1229 0.041,1230 6.558,1231 2.373,1232 5.695,1233 0.074,1234 0.022,1235 5.695,1236 1.672,1237 0.419,1238 66.267,1239 0.25,1240 20.962,1241 0.869,1242 114,1243 347.782,1244 124.646,1245 339.021,1246 458.76,1247 316,1248 133,1249 331.963,1250 142.983,1251 336.717,1252 491.75,1253 318,1254 5}
{0 CHEMBL286594,1 1.627,2 8.739,3 2.718,4 7.39,5 84.501,6 8.141,7 0.44,8 3.755,9 3.856,10 3.399,11 3.278,12 4.98,13 3.291,14 4.272,15 4.434,16 3.773,17 3.643,18 5.478,19 3.652,20 4.475,21 4.622,22 3.956,23 3.856,24 5.728,25 3.855,26 4.632,27 4.791,28 3.979,29 3.893,30 5.955,31 3.885,32 4.586,33 4.759,34 3.814,35 3.806,36 5.864,37 3.779,38 4.488,39 4.692,40 3.612,41 3.629,42 5.777,43 3.583,44 4.332,45 4.55,46 3.294,47 3.384,48 5.707,49 3.315,50 4.036,51 4.278,52 2.839,53 3.163,54 5.126,55 3.029,56 0.057,57 0.556,58 6.321,59 3.181,60 10.075,61 3.755,62 0.385,63 0.891,64 13.575,65 4.95,66 28.067,67 6.12,68 0.34,69 1.073,70 15.93,71 6.602,72 34.528,73 7.987,74 0.534,75 1.195,76 20.011,77 7.436,78 65.762,79 8.784,80 0.529,81 1.127,82 19.823,83 6.977,84 62.581,85 8.259,86 0.365,87 1.003,88 18.545,89 6.533,90 56.088,91 8.303,92 0.605,93 0.776,94 18.019,95 5.763,96 85.276,97 7.148,98 0.236,99 0.595,100 13.057,101 4.86,102 44.783,103 6.466,104 32,105 36,106 0.289,107 0.708,108 0.847,109 0.869,110 0.869,111 0.869,112 3.19,113 0.86,114 -3.57,115 -3.55,116 -3.38,118 44.7,119 1,123 1,124 2,132 1,133 1,135 3,136 2,137 1,139 1,144 1,149 2,151 1,159 6,161 3,162 5,166 7,168 3,169 4,173 6,175 4,176 8,180 2,183 2,184 8,190 1,191 9,197 2,198 6,204 3,208 2,211 3,215 2,216 584,217 15.516,218 15.516,219 15.516,220 15.516,221 15.516,222 13.982,223 20.317,224 8.95,225 15.943,226 12.187,227 12.187,228 12.187,229 12.187,230 12.187,231 9.525,232 19.841,233 4.037,234 12.739,235 3.621,236 1.262,237 0.481,238 0.356,239 0.356,240 0.356,241 3.865,244 1,245 1,246 1,247 421,248 3.162,251 37.321,252 44.41,253 48.096,255 72.759,256 79.625,258 1.38,259 29.596,260 1,261 1,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 50.5,271 201,272 4.644,273 3.77,274 6.946,275 4.269,276 3.308,277 4.348,278 1.674,279 11.728,280 3.183,281 4.285,282 3.665,283 6.483,284 3.9,285 2.915,286 3.889,287 1.23,288 9.994,289 2.857,290 3.885,291 3.119,292 5.931,293 3.474,294 2.512,295 3.178,296 0.521,297 8.029,298 2.424,299 3.74,300 2.901,301 5.503,302 3.342,303 2.373,304 2.996,306 7.06,307 2.281,308 3.437,309 2.531,310 5.197,311 3.032,312 2.062,313 2.567,315 6.204,316 1.986,317 2.967,318 1.99,319 4.503,320 2.411,321 1.473,322 1.88,324 3.959,325 1.376,326 2.798,327 1.808,328 4.086,329 2.12,330 1.181,331 1.595,333 3.123,334 1.1,335 2.573,336 1.5,337 3.936,338 2.097,339 1.151,340 1.547,342 2.903,343 1.083,344 2.48,345 1.287,346 3.435,347 1.765,348 0.784,349 1.03,350 1.542,351 0.757,352 2.133,353 1.167,354 3.049,355 1.643,356 0.618,357 0.879,358 1.363,359 0.625,360 2.057,361 0.667,362 2.835,363 1.461,364 0.469,365 0.825,366 0.757,367 0.464,368 1.207,369 0.304,370 2.669,371 0.819,372 -0.14,373 -0.17,374 -0.318,375 -0.134,376 0.842,377 0.095,378 2.226,379 0.44,380 -0.547,381 -0.685,382 -0.919,383 -0.533,384 0.67,385 -0.186,386 2.192,387 0.391,388 -0.596,389 -0.76,390 -1.276,391 -0.578,392 0.658,393 -0.539,394 2,395 0.184,396 -0.831,397 -1.222,398 -2.404,399 -0.841,400 10.7,401 0.465,402 0.61,403 0.027,404 30.5,405 1.326,406 15,407 0.652,408 15.5,409 0.674,410 16.793,411 0.73,412 24.1,413 0.634,414 24.183,415 1.051,416 6.275,417 0.273,418 4.787,419 0.208,420 0.202,422 0.402,424 0.719,425 1.47,426 0.677,427 1.15,428 0.574,429 0.948,430 0.841,431 0.885,432 0.724,433 0.693,434 0.543,435 0.666,436 0.87,437 1.071,438 0.786,439 0.958,440 0.73,441 0.874,442 1.189,443 1.076,444 1.023,445 1.016,446 1.512,447 0.994,448 1.329,449 1.073,450 1.191,451 1.01,452 1.353,453 1.057,454 1.072,455 1.133,456 1.121,457 1.193,458 0.925,459 1.158,460 1.302,461 0.755,462 1.192,463 0.852,464 1.14,465 0.97,466 0.878,467 0.921,468 1.134,469 1.102,470 0.999,471 1.168,472 4.5,473 0.029,474 3.333,475 2.035,476 1.888,477 1.199,478 0.674,479 0.275,480 0.19,481 0.066,482 4579,483 14544,484 2.016,485 39.5,487 10,488 1,489 1,492 3,494 1.665,495 1.84,496 3.046,497 -0.729,498 1,499 1,501 1,502 61.821,503 1.627,504 3.985,505 4.767,506 4.892,507 4.892,508 4.892,509 2.616,510 4.176,511 4.488,512 3.148,513 796.388,514 7.774,515 8528.33,516 1,517 1,518 1,519 1,520 199.421,521 1.538,522 4.428,523 0.18,524 0.007,525 0.093,526 0.047,527 0.045,528 0.034,529 0.025,530 0.014,531 0.016,532 0.009,533 0.471,534 0.5,535 1,536 1.375,537 104.29,538 -0.037,539 -0.348,540 0.061,541 -0.166,542 -0.048,543 -0.06,544 0.09,545 0.221,546 0.163,547 0.243,548 0.07,549 0.23,550 0.032,551 -0.011,552 0.077,553 0.012,554 0.038,555 0.042,556 -0.052,557 -0.048,558 -0.092,559 -0.069,560 -0.2,561 -0.093,562 -0.187,563 -0.054,564 -0.238,565 -0.07,566 -0.183,567 -0.149,568 -0.082,569 -0.141,570 -0.137,571 -0.249,572 0.053,573 -0.203,574 -0.007,575 0.143,576 -0.107,577 0.114,578 0.107,579 0.014,580 -0.069,581 -0.048,582 -0.102,583 -0.084,584 -0.119,585 -0.097,586 2.161,587 5.585,588 0.609,589 17.66,590 1.015,591 1.121,592 2.344,593 5.493,594 0.683,595 3.258,596 3.611,597 3.951,598 4.248,599 4.511,600 4.736,601 4.86,602 4.942,603 5.043,604 5.024,605 4.921,606 0.668,607 309.35,608 3.258,609 4.812,610 5.694,611 6.6,612 7.507,613 8.424,614 9.34,615 10.261,616 11.182,617 12.105,618 7.9,623 1,624 1,626 1,632 4,633 1,637 5,638 1,639 11,642 1,643 1,650 38,652 14,653 1,654 25,656 40,657 17,658 9,659 3,660 3,661 2,663 3,664 6,667 1,673 2,674 11,675 4,677 2,680 2,683 2,684 1,685 1,687 15,688 5,690 6,692 1,694 3,696 0.333,697 3,708 1,709 1,710 1,712 1,713 1,715 1,716 1,728 1,732 2,735 23,739 2,741 1,744 1,747 1,748 1,753 1,755 7.9,758 2,760 1,762 12.5,763 7.767,764 5.194,765 2.307,766 2.567,767 1.355,768 0.972,769 3.935,770 9.8,771 3.57,772 4.139,773 4.793,774 5.374,775 5.883,776 6.342,777 6.754,778 7.066,779 7.406,780 7.7,781 1,782 43,783 8.497,784 3.643,785 8.007,786 15.712,787 12.619,788 2.507,789 57.667,793 176.567,794 127.856,795 21.809,797 61.29,800 127.856,801 237.856,802 21.809,803 17.222,804 9.822,805 28.429,806 99.361,807 24.784,808 54.88,809 153.024,811 176.567,812 149.665,813 61.29,816 141.253,817 96.603,819 31.922,820 83.927,821 33.816,823 176.567,824 83.099,825 127.856,827 176.567,828 33.235,829 59.292,830 17.031,831 101.397,832 176.567,833 83.099,834 127.856,835 0.581,836 0.362,837 0.199,838 0.112,839 18,840 9,841 0.075,842 3,843 2,844 1.286,845 3.282,846 194.557,847 0.286,848 14,849 102.042,852 15.329,853 5.905,854 2.516,856 81.2,857 6.725,858 4.169,862 2.595,863 1.739,865 387.521,866 34.5,869 24.648,872 -0.651,873 38.589,874 42.614,876 0.31,877 0.759,878 0.908,879 0.932,880 0.932,881 0.932,882 4.834,883 1.151,884 5.707,885 3.123,886 4.29,887 4.824,888 2.306,889 6.592,890 4.215,891 6.066,892 0.784,893 7.318,894 2.903,895 4.007,896 4.718,897 0.325,898 7.642,899 3.916,900 7.396,901 0.618,902 9.03,903 1.542,904 5.953,905 7.039,906 3.033,907 10.789,908 5.811,909 8.763,910 0.469,911 10.799,912 1.363,913 6.494,914 7.786,915 0.74,916 12.648,917 6.331,918 10.162,919 -0.14,920 12.605,921 0.757,922 7.926,923 9.569,924 3.921,925 15.328,926 7.72,927 11.584,928 -0.547,929 14.435,930 -0.318,931 8.819,932 10.689,933 1.168,934 17.518,935 8.585,936 13.025,937 -0.596,938 16.282,939 -0.919,940 10.071,941 12.271,942 4.883,943 20.043,944 9.798,945 3.308,946 -0.831,947 18.143,948 -1.276,949 11.121,950 13.564,951 1.605,952 22.377,953 10.813,954 2.915,955 11.728,956 20.015,957 -2.404,958 12.314,959 15.066,960 5.881,961 24.848,962 11.968,963 2.512,964 9.994,965 21.895,966 4.348,967 13.433,968 16.441,969 2.049,970 27.245,971 13.05,972 2.373,973 8.029,974 23.782,975 3.889,976 14.61,977 17.913,978 6.895,979 29.7,980 14.188,981 2.062,982 7.06,983 25.675,984 3.178,985 15.762,986 19.328,987 2.494,988 32.127,989 15.301,990 1.473,991 6.204,992 27.572,993 2.996,994 16.937,995 20.789,996 7.918,997 34.578,998 16.437,999 1.181,1000 3.959,1001 29.475,1002 2.567,1003 18.105,1004 22.225,1005 2.938,1006 37.018,1007 17.565,1008 4649,1009 8376,1010 16.126,1011 25.949,1012 39.638,1013 40.057,1014 40.538,1015 37.733,1016 37.693,1017 49.473,1018 6.852,1019 113.326,1020 36.268,1021 5.53,1022 5.77,1023 6.715,1024 5.337,1025 5.308,1026 7.348,1027 3.349,1028 19.394,1029 5.183,1030 13.145,1031 1.586,1032 1.602,1033 1.622,1034 1.509,1035 1.508,1036 1.979,1037 0.274,1038 4.533,1039 1.451,1040 4.092,1041 4.129,1042 4.065,1043 3.971,1044 7.434,1045 3.987,1046 3.785,1047 3.808,1048 3.75,1049 3.671,1050 7.427,1051 3.689,1052 3.544,1053 3.598,1054 3.455,1055 3.314,1056 5.446,1057 3.336,1058 3.484,1059 3.554,1060 3.358,1061 3.244,1062 4.911,1063 3.256,1064 3.223,1065 3.255,1066 3.136,1067 3.136,1068 4.528,1069 3.131,1070 3.059,1071 3.07,1072 2.954,1073 2.814,1074 4.428,1075 2.835,1076 2.965,1077 3.019,1078 2.825,1079 2.762,1080 4.103,1081 2.785,1082 2.823,1083 2.931,1084 2.55,1085 2.604,1086 3.637,1087 2.576,1088 0.186,1089 0.151,1090 0.278,1091 0.171,1092 0.132,1093 4.644,1094 0.174,1095 3.77,1096 0.067,1097 6.946,1098 0.469,1099 4.269,1100 0.127,1101 3.308,1102 4.348,1103 1.674,1104 11.728,1105 3.183,1106 1.938,1107 1.919,1108 2.008,1109 2.022,1110 1.138,1111 2.017,1112 1.663,1113 1.624,1114 1.824,1115 1.879,1116 1.029,1117 1.859,1118 1.494,1119 1.433,1120 1.789,1121 1.765,1122 0.937,1123 1.767,1124 1.382,1125 1.345,1126 1.535,1127 1.564,1128 0.619,1129 1.55,1130 1.309,1131 1.251,1132 1.445,1133 1.54,1134 0.392,1135 1.526,1136 1.084,1137 1.019,1138 1.311,1139 1.261,1140 0.259,1141 1.286,1142 0.953,1143 0.899,1144 1.191,1145 1.162,1146 0.206,1147 1.174,1148 0.802,1149 0.74,1150 1.103,1151 1.122,1152 0.101,1153 1.111,1154 3.932,1156 5.273,1157 2.398,1158 6.812,1159 4.844,1160 8.443,1161 7.066,1162 10.126,1164 3.408,1169 0.523,1171 5.035,1174 1.53,1177 5.419,1178 2.527,1179 25.369,1180 61.821,1181 151.447,1182 181.157,1183 185.911,1184 185.911,1185 185.911,1186 44.206,1187 7.233,1188 64.43,1189 64.43,1190 18,1191 12.612,1192 3.907,1193 3.392,1194 36.526,1195 70,1196 78,1197 0.283,1198 157.685,1199 279.39,1200 376.512,1201 11634,1203 16.56,1204 0.72,1205 0.559,1206 16.56,1207 12.867,1208 11.062,1209 0.442,1210 0.287,1211 7.029,1212 10.529,1213 6.818,1214 5.672,1215 11.062,1216 7.163,1217 9.822,1218 0.273,1219 0.144,1220 9.822,1221 5.168,1222 8.816,1223 0.173,1224 0.073,1225 8.816,1226 3.722,1227 7.28,1228 0.106,1229 0.038,1230 7.28,1231 2.612,1232 5.843,1233 0.065,1234 0.02,1235 5.843,1236 1.77,1237 0.42,1238 70.086,1239 0.249,1240 21.79,1241 0.851,1242 122,1243 412.142,1244 136.687,1245 393.262,1246 532.29,1247 366,1248 148,1249 389.53,1250 163.801,1251 393.636,1252 581.09,1253 368,1254 9.31}
{0 CHEMBL296335,1 1.576,2 9.091,3 3.42,4 11.699,5 81.83,6 8.324,7 0.84,8 3.706,9 3.8,10 3.378,11 3.282,12 4.92,13 3.291,14 4.17,15 4.296,16 3.746,17 3.652,18 5.337,19 3.657,20 4.346,21 4.498,22 3.83,23 3.734,24 5.559,25 3.733,26 4.388,27 4.569,28 3.703,29 3.68,30 5.589,31 3.652,32 4.305,33 4.512,34 3.493,35 3.576,36 5.408,37 3.514,38 4.144,39 4.344,40 3.339,41 3.403,42 5.26,43 3.345,44 3.981,45 4.17,46 3.204,47 3.256,48 5.15,49 3.205,50 3.877,51 4.087,52 2.923,53 3.136,54 4.911,55 3.043,56 0.073,57 0.509,58 5.679,59 2.955,60 7.735,61 3.278,62 0.181,63 0.806,64 10.401,65 4.626,66 13.162,67 5.274,68 0.214,69 0.964,70 13.234,71 5.434,72 20.497,73 6.373,74 0.328,75 1.02,76 14.88,77 5.504,78 30.783,79 6.477,80 0.258,81 0.876,82 15.057,83 5.819,84 27.279,85 7.346,86 0.23,87 0.719,88 12.933,89 5.119,90 25.606,91 6.351,92 0.264,93 0.62,94 10.661,95 4.073,96 25.044,97 4.914,98 0.152,99 0.549,100 9.859,101 3.954,102 17.874,103 4.913,104 6,105 36,106 0.282,107 0.603,108 0.739,109 0.841,110 0.851,111 0.851,112 3.148,113 0.825,114 -3.46,115 -3.44,116 -3.28,118 48.6,123 1,135 8,136 2,137 2,138 1,139 2,145 1,157 1,159 6,162 10,164 1,165 1,166 7,169 10,170 1,173 5,175 2,176 6,178 1,179 3,180 4,183 1,184 3,186 3,187 5,190 1,191 3,194 2,195 4,198 3,200 1,201 1,202 6,204 1,208 6,210 1,211 1,215 2,216 568,217 15.301,218 15.301,219 15.301,220 15.301,221 15.301,222 12.905,223 11.026,224 8.848,225 15.662,226 12.265,227 12.265,228 12.265,229 12.265,230 12.265,231 8.637,232 9.52,233 4.1,234 12.782,235 3.553,236 1.751,237 0.993,238 0.422,239 0.364,240 0.364,241 3.85,244 1,245 1,246 1,247 445,248 2.236,251 33.686,252 144.368,254 61.78,255 74.198,258 1.38,259 18.062,261 1,262 1,263 1,264 1,265 0.4,267 1,268 1,269 0.77,270 47.5,271 200,272 4.771,273 3.397,274 6.938,275 4.277,276 3.313,277 4.837,278 0.86,279 11.687,280 3.197,281 4.282,282 2.95,283 6.386,284 3.823,285 2.858,286 4.023,288 9.717,289 2.753,290 3.962,291 2.788,292 5.806,293 3.498,294 2.536,295 3.589,297 7.815,298 2.441,299 3.587,300 2.404,301 5.307,302 3.172,303 2.219,304 2.969,306 6.725,307 2.102,308 3.335,309 1.93,310 5.07,311 2.807,312 1.855,313 2.735,315 5.581,316 1.762,317 3.02,318 1.643,319 4.556,320 2.522,321 1.557,322 2.259,324 4.257,325 1.499,326 2.832,327 1.41,328 4.067,329 2.335,330 1.358,331 1.986,333 3.3,334 1.321,335 2.528,336 1.217,337 3.607,338 2.03,339 1.068,340 1.541,342 2.741,343 1.023,344 2.5,345 1.016,346 3.414,347 2,348 1,349 1.5,350 2.275,351 1,352 2.188,353 1,354 3.344,355 1.689,356 0.745,357 1.051,358 1.749,359 0.699,360 1.658,361 0.736,362 2.86,363 1.352,364 0.475,365 0.548,366 0.755,367 0.413,368 1.129,369 0.061,370 2.563,371 0.702,372 -0.212,373 -0.268,374 -0.489,375 -0.191,376 0.966,377 -0.281,378 2.495,379 0.46,380 -0.505,381 -0.718,382 -1.204,383 -0.484,384 0.798,385 -0.499,386 2.301,387 0.364,388 -0.59,389 -0.805,390 -1.313,391 -0.556,392 0.552,393 -0.78,394 2.058,395 0.079,396 -0.878,397 -1.232,398 -2.136,399 -0.834,400 10.367,401 0.471,402 0.483,403 0.022,404 33.5,405 1.523,406 19,407 0.864,408 14.5,409 0.659,410 12.908,411 0.587,412 22.033,413 0.63,414 22.734,415 1.033,416 6.819,417 0.31,418 3.956,419 0.18,420 0.08,422 0.376,424 0.863,425 1.073,426 0.684,427 0.928,428 0.942,429 0.808,430 0.998,431 1.154,432 0.761,433 0.88,434 0.768,435 0.799,436 1.031,437 1.244,438 0.85,439 0.996,440 0.823,441 0.904,442 1.132,443 1.047,444 1.123,445 0.996,446 1.113,447 1.031,448 0.929,449 0.937,450 1.007,451 0.973,452 1.237,453 0.991,454 1.032,455 0.956,456 0.988,457 1.006,458 1.325,459 0.999,460 1.049,461 0.897,462 1.081,463 0.957,464 1.116,465 1.001,466 1.038,467 0.901,468 1.194,469 1.09,470 1.021,471 1.152,472 3.5,473 0.045,474 2.889,475 1.764,476 1.419,477 0.882,478 0.355,479 0.225,480 0.127,481 0.087,482 4942,483 13592,484 2.176,485 37.1,487 11,489 1,490 1,494 1.646,495 2.063,496 3.152,497 -0.31,499 1,501 1,502 55.177,503 1.576,504 3.378,505 4.136,506 4.708,507 4.765,508 4.765,509 2.681,510 3.971,511 4.427,512 3.242,513 748.993,514 7.614,515 7857.2,516 1,517 1,518 1,519 1,520 179.525,521 1.322,522 4.403,523 0.14,524 0.007,525 0.08,526 0.046,527 0.044,528 0.034,529 0.016,530 0.012,531 0.009,532 0.01,533 0.399,534 0.67,535 1,536 0.72,537 99.431,538 -0.02,539 -0.027,540 0.048,541 -0.007,542 -0.15,543 0.018,544 -0.046,545 -0.112,546 0.055,547 0.041,548 -0.062,549 0.055,550 -0.046,551 -0.194,552 0.024,553 -0.083,554 0.094,555 -0.03,556 -0.086,557 0.036,558 -0.193,559 -0.098,560 -0.047,561 -0.151,562 -0.024,563 0.036,564 -0.016,565 0.002,566 -0.067,567 0.002,568 -0.005,569 -0.025,570 0.02,571 -0.012,572 -0.025,573 0.003,574 0.048,575 0.076,576 -0.094,577 0.01,578 0.048,579 -0.042,580 -0.14,581 0.028,582 -0.194,583 -0.09,584 -0.142,585 -0.133,586 1.585,587 4.458,588 0.864,589 15.802,590 1.011,591 1.114,592 2.228,593 4.964,594 0.707,595 3.258,596 3.611,597 3.97,598 4.277,599 4.554,600 4.7,601 4.883,602 5.011,603 5.1,604 5.106,605 5.151,606 0.689,607 291.33,608 3.258,609 4.812,610 5.7,611 6.603,612 7.509,613 8.422,614 9.336,615 10.254,616 11.173,617 12.094,618 8.6,624 1,626 2,631 4,632 9,633 2,637 3,638 1,639 21,647 1,648 1,650 35,652 21,653 2,654 25,656 38,657 17,658 16,659 4,660 8,663 4,664 7,674 16,675 1,684 1,685 1,687 13,688 4,689 1,690 5,694 3,696 0.5,697 2,700 1,702 1,708 1,709 3,711 1,712 1,728 2,732 1,735 22,738 1,741 1,755 5.7,757 1,760 1,762 10.667,763 6.717,764 4.833,765 1.954,766 4.309,767 1.578,768 1.016,769 2.98,770 11.763,771 3.597,772 4.314,773 5.051,774 5.754,775 6.407,776 6.891,777 7.446,778 7.962,779 8.407,780 8.749,781 1,782 38,783 8.078,784 3.499,785 7.735,786 15.298,787 12.649,788 2.235,789 49.167,793 141.253,794 113.175,795 35.225,797 53.683,800 113.175,801 194.936,802 35.225,803 10.883,805 75.81,806 87.903,807 39.258,809 129.482,811 141.253,812 148.4,813 53.683,816 141.253,817 53.683,819 15.112,820 99.839,821 33.449,823 141.253,824 88.908,825 113.175,827 141.253,828 17.434,829 97.517,831 87.132,832 141.253,833 88.908,834 113.175,835 0.584,836 0.363,837 0.2,838 0.111,839 20,840 8,841 0.053,842 2,843 2,844 1.211,845 3.431,846 185.309,847 0.211,848 19,849 94.107,852 13.105,853 5.002,854 2.039,855 3.144,856 87.132,857 16.761,858 8.923,862 1.601,863 1.512,864 42.683,865 343.336,866 35.5,873 35.378,874 38.99,876 0.307,877 0.659,878 0.806,879 0.918,880 0.929,881 0.929,882 4.822,883 1.068,884 5.694,885 3.3,886 4.29,887 5.001,888 0.908,889 6.561,890 4.213,891 6.07,892 1,893 7.286,894 2.741,895 3.892,896 4.913,898 7.57,899 3.765,900 7.41,901 0.745,902 8.98,903 2.275,904 5.932,905 7.382,906 0.739,907 10.718,908 5.784,909 8.794,910 0.475,911 10.736,912 1.749,913 6.399,914 8.177,916 12.574,917 6.198,918 10.213,919 -0.212,920 12.532,921 0.755,922 7.89,923 10.086,924 0.593,925 15.247,926 7.672,927 11.657,928 -0.505,929 14.355,930 -0.489,931 8.748,932 11.294,934 17.442,935 8.481,936 13.122,937 -0.59,938 16.197,939 -1.204,940 10.032,941 12.983,942 0.469,943 19.962,944 9.744,945 3.313,946 -0.878,947 18.055,948 -1.313,949 11.069,950 14.386,952 22.299,953 10.736,954 2.858,955 11.687,956 19.924,957 -2.136,958 12.278,959 15.991,960 0.366,961 24.769,962 11.918,963 2.536,964 9.717,965 21.803,966 4.837,967 13.394,968 17.484,970 27.167,971 12.994,972 2.219,973 7.815,974 23.689,975 4.023,976 14.58,977 19.06,978 0.283,979 29.621,980 14.149,981 1.855,982 6.725,983 25.582,984 3.589,985 15.733,986 20.594,988 32.048,989 15.264,990 1.557,991 5.581,992 27.48,993 2.969,994 16.915,995 22.162,996 0.217,997 34.498,998 16.413,999 1.358,1000 4.257,1001 29.382,1002 2.735,1003 18.086,1004 23.715,1006 36.938,1007 17.547,1008 4676,1009 7867,1010 17.107,1011 24.733,1012 38.085,1013 38.358,1014 39.391,1015 37.974,1016 37.968,1017 54.078,1018 1.72,1019 113.202,1020 36.418,1021 5.441,1022 5.397,1023 6.622,1024 5.317,1025 5.313,1026 7.837,1027 1.72,1028 19.319,1029 5.197,1030 8.178,1031 1.523,1032 1.534,1033 1.576,1034 1.519,1035 1.519,1036 2.163,1037 0.069,1038 4.528,1039 1.457,1040 4.186,1041 4.218,1042 4.167,1043 4.083,1044 6.472,1045 4.098,1046 3.902,1047 3.929,1048 3.851,1049 3.822,1050 5.08,1051 3.825,1052 3.665,1053 3.698,1054 3.61,1055 3.549,1056 4.862,1057 3.559,1058 3.263,1059 3.325,1060 3.147,1061 3.009,1062 4.601,1063 3.034,1064 3.124,1065 3.201,1066 2.992,1067 2.897,1068 4.351,1069 2.908,1070 2.92,1071 2.966,1072 2.817,1073 2.782,1074 4.251,1075 2.782,1076 2.854,1077 2.925,1078 2.687,1079 2.735,1080 3.674,1081 2.715,1082 2.737,1083 2.786,1084 2.614,1085 2.597,1086 3.65,1087 2.59,1088 0.191,1089 0.136,1090 0.278,1091 0.171,1092 0.133,1093 4.771,1094 0.193,1095 3.397,1096 0.034,1097 6.938,1098 0.467,1099 4.277,1100 0.128,1101 3.313,1102 4.837,1103 0.86,1104 11.687,1105 3.197,1106 2.044,1107 2.023,1108 2.107,1109 2.125,1110 1.235,1111 2.12,1112 1.894,1113 1.868,1114 1.991,1115 2.016,1116 1.081,1117 2.007,1118 1.527,1119 1.502,1120 1.64,1121 1.674,1122 0.74,1123 1.656,1124 1.277,1125 1.222,1126 1.571,1127 1.562,1128 0.577,1129 1.556,1130 1.123,1131 1.044,1132 1.289,1133 1.419,1134 0.333,1135 1.409,1136 0.972,1137 0.917,1138 1.181,1139 1.166,1140 0.221,1141 1.168,1142 0.886,1143 0.821,1144 1.18,1145 1.062,1146 0.218,1147 1.107,1148 0.684,1149 0.639,1150 0.902,1151 0.898,1152 0.035,1153 0.886,1154 3.932,1156 5.273,1157 2.398,1158 6.832,1159 4.844,1160 8.485,1161 7.05,1162 10.188,1164 1.618,1168 10.458,1171 5.15,1179 24.128,1180 55.177,1181 118.241,1182 144.77,1183 164.77,1184 166.77,1185 166.77,1186 27.119,1187 7.454,1188 60.17,1189 60.17,1190 23,1191 12.603,1192 4.459,1193 3.524,1194 29.883,1195 68,1196 80,1197 0.225,1198 146.295,1199 236.44,1200 348.721,1201 16229,1203 15.104,1204 0.687,1205 0.541,1206 15.104,1207 11.893,1208 10.775,1209 0.431,1210 0.275,1211 6.767,1212 10.342,1213 6.613,1214 5.488,1215 10.775,1216 6.876,1217 9.561,1218 0.266,1219 0.138,1220 9.561,1221 4.971,1222 8.908,1223 0.171,1224 0.071,1225 8.908,1226 3.706,1227 7.592,1228 0.107,1229 0.036,1230 7.592,1231 2.563,1232 6.303,1233 0.067,1234 0.019,1235 6.303,1236 1.747,1237 0.342,1238 67.744,1239 0.242,1240 21.331,1241 0.649,1242 122,1243 360.821,1244 133.615,1245 350.515,1246 493.59,1247 330,1248 149,1249 380.911,1250 162.143,1251 385.62,1252 569.14,1253 363,1254 8.301}
{0 CHEMBL343009,1 1.657,2 11.31,3 4.432,4 19.643,5 104.973,6 8.35,7 0.667,8 3.991,9 4.098,10 3.656,11 3.555,12 5.179,13 3.563,14 4.519,15 4.674,16 4.059,17 3.966,18 5.724,19 3.96,20 4.778,21 4.964,22 4.12,23 4.091,24 5.941,25 4.063,26 4.865,27 5.093,28 4.093,29 4.039,30 6.136,31 3.996,32 4.749,33 4.97,34 3.936,35 3.977,36 5.798,37 3.921,38 4.717,39 4.934,40 3.909,41 3.959,42 5.84,43 3.904,44 4.677,45 4.889,46 3.921,47 3.897,48 5.949,49 3.844,50 4.572,51 4.796,52 3.738,53 3.74,54 5.742,55 3.699,56 0.098,57 0.853,58 7.584,59 4.127,60 13.086,61 4.682,62 0.33,63 1.413,64 15.073,65 6.79,66 20.564,67 8.129,68 0.391,69 1.764,70 22.125,71 9.277,72 49.544,73 11.085,74 0.845,75 1.898,76 27.996,77 9.83,78 106.953,79 12.521,80 0.507,81 1.545,82 24.087,83 8.89,84 55.35,85 11.376,86 0.55,87 1.477,88 23.328,89 8.535,90 55.112,91 10.807,92 0.571,93 1.503,94 22.42,95 8.899,96 74.678,97 11.373,98 0.54,99 1.336,100 21.267,101 7.366,102 63.954,103 8.913,104 10,105 48,106 0.278,107 0.624,108 0.766,109 0.852,110 0.876,111 0.876,112 3.409,113 0.854,114 -5.82,115 -5.68,116 -5.29,118 46.8,120 1,124 3,135 8,136 3,137 2,139 2,143 1,152 1,153 1,159 8,161 2,162 8,164 2,166 10,169 4,173 4,175 4,176 7,178 1,179 2,180 3,184 4,186 1,187 5,191 5,193 1,194 1,195 7,198 9,201 2,202 3,204 8,207 1,208 3,211 3,214 2,215 3,216 1341,217 19.756,218 19.756,219 19.756,220 19.756,221 19.756,222 17.064,223 18.007,224 11.503,225 20.22,226 16.331,227 16.331,228 16.331,229 16.331,230 16.331,231 12.289,232 21.304,233 5.541,234 17.176,235 3.897,236 1.841,237 0.995,238 0.484,239 0.34,240 0.34,241 4.12,245 1,246 1,247 730,248 2.55,251 50.087,252 287.738,254 90.001,255 102.01,258 1.791,259 38.462,262 0.75,263 0.83,264 1,265 0.6,266 0.5,267 1,268 1,269 0.81,270 64,271 328,272 4.715,273 3.431,274 6.865,275 4.235,276 3.292,277 4.68,278 0.995,279 11.478,280 3.112,281 4.32,282 3.233,283 6.434,284 3.929,285 2.961,286 3.98,287 0.359,288 9.906,289 2.862,290 3.96,291 2.991,292 5.968,293 3.633,294 2.684,295 3.461,297 8.379,298 2.567,299 3.857,300 2.753,301 5.534,302 3.441,303 2.473,304 3.357,306 7.482,307 2.367,308 3.645,309 2.653,310 5.34,311 3.204,312 2.278,313 3.057,315 6.634,316 2.095,317 3.433,318 2.396,319 5.16,320 2.982,321 2.054,322 2.775,324 6.147,325 1.907,326 3.244,327 2.267,328 4.996,329 2.974,330 2.04,331 2.347,333 5.919,334 1.889,335 3.04,336 2.073,337 4.709,338 2.61,339 1.684,340 2.229,342 4.786,343 1.538,344 2.827,345 1.525,346 4.032,347 2.409,348 1.416,349 1.942,350 3.274,351 1.405,352 2.666,353 1.499,354 3.846,355 2.218,356 1.246,357 1.74,358 3.043,359 1.204,360 2.5,361 1.143,362 3.76,363 2,364 1,365 1.5,366 2.625,367 1,368 2.227,369 1,370 3.59,371 1.934,372 0.978,373 1.152,374 2.195,375 0.931,376 2.106,377 0.851,378 3.247,379 1.657,380 0.743,381 1.016,382 2.136,383 0.678,384 1.433,385 0.494,386 2.978,387 1.185,388 0.242,389 0.276,390 0.621,391 0.226,392 1.252,393 0.356,394 2.761,395 0.863,396 -0.055,397 -0.068,398 -0.134,399 -0.049,400 13.505,401 0.466,402 0.763,403 0.026,404 40.25,405 1.388,406 20.5,407 0.707,408 19.75,409 0.681,410 22.224,411 0.766,412 30.295,413 0.645,414 30.648,415 1.057,416 8.093,417 0.279,418 5.987,419 0.206,420 0.067,422 0.392,423 2,424 0.662,425 1.068,426 0.655,427 0.987,428 0.593,429 0.863,430 0.619,431 0.933,432 0.759,433 0.915,434 0.508,435 0.88,436 0.917,437 1.153,438 0.971,439 1.135,440 0.839,441 1.08,442 0.742,443 0.797,444 0.924,445 0.926,446 0.674,447 0.958,448 0.796,449 0.867,450 0.975,451 0.986,452 0.728,453 1.013,454 0.798,455 0.739,456 0.982,457 0.884,458 0.691,459 0.953,460 0.675,461 0.978,462 0.857,463 1.105,464 0.714,465 1.062,466 1.144,467 0.925,468 1.064,469 0.899,470 1.131,471 0.938,472 6,473 0.145,474 3.111,475 2.097,476 1.988,477 0.966,478 0.784,479 0.478,480 0.356,481 0.229,482 11080,483 32688,484 2.171,485 38.3,487 14,488 1,490 1,491 2,494 1.721,495 2.047,496 3.455,497 -0.336,499 1,502 77.9,503 1.657,504 3.714,505 4.56,506 5.07,507 5.214,508 5.214,509 2.915,510 4.513,511 4.825,512 3.592,513 1458.4,514 8.418,515 19192.5,517 1,519 1,520 261.066,521 1.361,522 4.797,523 0.182,524 0.008,525 0.065,526 0.043,527 0.044,528 0.024,529 0.02,530 0.013,531 0.011,532 0.008,533 0.418,534 0.5,535 0.75,536 0.506,537 146.024,538 -0.056,539 -0.142,540 0.037,541 -0.032,542 -0.051,543 0.011,544 0.054,545 -0.002,546 0.028,547 0.012,548 0.056,549 0.009,550 -0.092,551 -0.191,552 -0.081,553 -0.176,554 -0.044,555 -0.136,556 0.16,557 0.11,558 0.069,559 0.008,560 0.162,561 0.009,562 -0.04,563 -0.044,564 -0.024,565 -0.04,566 -0.053,567 -0.028,568 -0.029,569 0.054,570 -0.033,571 0.058,572 -0.002,573 0.025,574 0.193,575 -0.089,576 0.117,577 -0.116,578 0.153,579 -0.052,580 -0.118,581 0.006,582 -0.048,583 0.056,584 -0.129,585 0.034,586 2.361,587 6.233,588 0.862,589 28.956,590 1.018,591 1.132,592 4.588,593 21.051,594 0.69,595 3.526,596 3.892,597 4.205,598 4.533,599 4.82,600 4.984,601 5.176,602 5.394,603 5.568,604 5.666,605 6.486,606 0.676,607 392.44,608 3.526,609 5.094,610 5.969,611 6.872,612 7.766,613 8.677,614 9.581,615 10.497,616 11.408,617 12.328,618 8.5,619 1,624 1,626 2,631 1,632 9,633 2,637 8,639 22,647 1,649 2,650 47,652 22,653 2,654 33,656 51,657 22,658 18,659 4,660 8,663 5,664 8,670 1,672 1,674 18,675 4,685 1,686 2,687 18,688 6,689 1,690 7,692 1,694 4,696 0.6,697 1,703 1,708 1,709 4,711 1,712 1,724 1,728 3,734 2,735 29,738 1,739 4,744 1,754 2,755 2.1,757 1,762 14.167,763 8.536,764 6.167,765 2.802,766 4.021,767 1.483,768 1.031,769 4.442,770 12.349,771 3.807,772 4.48,773 5.12,774 5.77,775 6.353,776 6.752,777 7.207,778 7.714,779 8.115,780 8.478,781 0.875,782 49,783 10.808,784 4.861,785 7.948,786 20.286,787 17.278,788 2.448,789 71,792 1,793 200.109,794 128.737,795 37.982,797 42.683,798 29.92,800 128.737,801 242.792,802 67.902,804 8.852,805 84.857,806 77.97,807 37.723,808 41.691,809 188.338,811 200.109,812 166.718,813 72.604,816 230.029,817 42.683,819 20.491,820 112.656,821 33.571,823 230.029,824 80.665,825 128.737,827 200.109,828 43.879,829 89.268,831 106.175,832 200.109,833 110.585,834 128.737,835 0.591,836 0.346,837 0.194,838 0.109,839 26,840 11,841 0.059,842 3,843 2,844 1.16,845 4.062,846 273.014,847 0.16,848 25,849 136.881,852 18.08,853 7.126,854 3.34,855 0.545,856 109.299,857 15.107,858 8.888,862 1.921,864 42.683,865 439.431,866 44,873 47.829,874 53.204,876 0.298,877 0.669,878 0.821,879 0.913,880 0.939,881 0.939,882 5.059,883 1.684,884 5.969,885 5.919,886 4.575,887 5.168,888 1.114,889 6.815,890 4.474,891 6.29,892 1.416,893 7.545,894 4.786,895 4.205,896 5.047,897 0.325,898 7.743,899 4.02,900 7.616,901 1.246,902 9.219,903 3.274,904 6.201,905 7.444,906 0.897,907 10.883,908 6.005,909 8.977,910 1,911 10.95,912 3.043,913 6.635,914 8.159,915 0.504,916 12.648,917 6.359,918 10.371,919 0.978,920 12.719,921 2.625,922 8.113,923 10.036,924 0.792,925 15.313,926 7.823,927 11.788,928 0.743,929 14.515,930 2.195,931 8.927,932 11.16,933 0.585,934 17.442,935 8.564,936 13.225,937 0.242,938 16.33,939 2.136,940 10.202,941 12.825,942 0.735,943 19.944,944 9.812,945 3.292,946 -0.055,947 18.162,948 0.621,949 11.201,950 14.156,951 0.622,952 22.236,953 10.744,954 2.961,955 11.478,956 20.007,957 -0.134,958 12.398,959 15.734,960 0.703,961 24.683,962 11.903,963 2.684,964 9.906,965 21.862,966 4.68,967 13.486,968 17.169,969 0.639,970 27.048,971 12.928,972 2.473,973 8.379,974 23.727,975 3.98,976 14.657,977 18.714,978 0.683,979 29.478,980 14.053,981 2.278,982 7.482,983 25.598,984 3.461,985 15.788,986 20.2,987 0.646,988 31.876,989 15.124,990 2.054,991 6.634,992 27.476,993 3.357,994 16.954,995 21.735,996 0.67,997 34.303,998 16.239,999 2.04,1000 6.147,1001 29.36,1002 3.057,1003 18.107,1004 23.246,1005 0.648,1006 36.718,1007 17.332,1008 10260,1009 17838,1010 22.482,1011 32.444,1012 50.614,1013 50.897,1014 51.465,1015 50.349,1016 50.18,1017 67.019,1018 2.707,1019 149.249,1020 47.562,1021 5.66,1022 5.431,1023 6.667,1024 5.313,1025 5.292,1026 7.68,1027 1.754,1028 18.996,1029 5.112,1030 12.139,1031 1.534,1032 1.542,1033 1.56,1034 1.526,1035 1.521,1036 2.031,1037 0.082,1038 4.523,1039 1.441,1040 4.159,1041 4.204,1042 4.138,1043 4.008,1044 8.211,1045 4.033,1046 3.92,1047 3.956,1048 3.86,1049 3.85,1050 8.191,1051 3.845,1052 3.874,1053 3.903,1054 3.828,1055 3.781,1056 6.477,1057 3.79,1058 3.634,1059 3.698,1060 3.543,1061 3.459,1062 5.001,1063 3.473,1064 3.257,1065 3.319,1066 3.193,1067 3.074,1068 4.753,1069 3.086,1070 3.073,1071 3.133,1072 2.958,1073 2.919,1074 4.524,1075 2.908,1076 3.028,1077 3.089,1078 2.908,1079 2.843,1080 4.339,1081 2.86,1082 2.901,1083 2.958,1084 2.819,1085 2.735,1086 4.073,1087 2.735,1088 0.143,1089 0.104,1090 0.208,1091 0.128,1092 0.1,1093 4.715,1094 0.142,1095 3.431,1096 0.03,1097 6.865,1098 0.348,1099 4.235,1100 0.094,1101 3.292,1102 4.68,1103 0.995,1104 11.478,1105 3.112,1106 1.958,1107 1.918,1108 2.074,1109 2.123,1110 1.336,1111 2.103,1112 1.893,1113 1.872,1114 1.987,1115 1.992,1116 1.121,1117 1.993,1118 1.878,1119 1.846,1120 1.964,1121 1.979,1122 1.072,1123 1.978,1124 1.5,1125 1.437,1126 1.651,1127 1.742,1128 0.843,1129 1.726,1130 1.298,1131 1.253,1132 1.472,1133 1.468,1134 0.71,1135 1.453,1136 1.178,1137 1.106,1138 1.425,1139 1.387,1140 0.567,1141 1.419,1142 0.954,1143 0.891,1144 1.225,1145 1.181,1146 0.366,1147 1.201,1148 0.886,1149 0.821,1150 1.181,1151 1.068,1152 0.218,1153 1.107,1154 4.205,1156 5.557,1157 2.398,1158 7.106,1159 4.727,1160 8.748,1161 6.88,1162 10.441,1166 27.491,1168 10.346,1169 2.945,1174 2.295,1179 31.781,1180 77.9,1181 174.536,1182 214.311,1183 238.311,1184 245.066,1185 245.066,1186 53.928,1187 8.328,1188 53.66,1189 53.66,1190 29,1191 12.839,1192 4.524,1193 3.585,1194 39.542,1195 111,1196 120,1197 0.174,1198 189.131,1199 322.29,1200 453.239,1201 49691,1202 4.3,1203 19.957,1204 0.688,1205 0.535,1206 18.217,1207 15.517,1208 14.081,1209 0.427,1210 0.285,1211 9.247,1212 13.477,1213 9.102,1214 7.456,1215 13.276,1216 9.398,1217 13.174,1218 0.274,1219 0.151,1220 12.013,1221 7.227,1222 11.307,1223 0.171,1224 0.08,1225 10.52,1226 5.277,1227 9.967,1228 0.108,1229 0.042,1230 9.219,1231 3.856,1232 8.27,1233 0.067,1234 0.023,1235 7.931,1236 2.784,1237 0.27,1238 88.759,1239 0.211,1240 27.315,1241 0.487,1242 162,1243 562.952,1244 181.034,1245 497.323,1246 672.45,1247 464,1248 195,1249 495.317,1250 214.248,1251 490.521,1252 726.17,1253 462,1254 6.491}
{0 CHEMBL343471,1 1.64,2 11.433,3 4.053,4 16.428,5 109.629,6 8.213,7 0.647,8 4.024,9 4.128,10 3.677,11 3.597,12 5.208,13 3.6,14 4.546,15 4.699,16 4.086,17 4.009,18 5.732,19 3.997,20 4.792,21 4.964,22 4.182,23 4.139,24 5.987,25 4.117,26 4.896,27 5.096,28 4.14,29 4.081,30 6.167,31 4.057,32 4.783,33 4.987,34 4.004,35 4.001,36 5.933,37 3.966,38 4.711,39 4.906,40 3.976,41 3.982,42 5.912,43 3.937,44 4.713,45 4.918,46 3.971,47 3.93,48 6.01,49 3.894,50 4.604,51 4.805,52 3.795,53 3.831,54 5.86,55 3.781,56 0.076,57 0.797,58 8.12,59 4.249,60 11.709,61 4.932,62 0.332,63 1.325,64 16.005,65 7.057,66 21.981,67 8.752,68 0.275,69 1.65,70 21.95,71 9.29,72 37.692,73 11.312,74 0.716,75 1.762,76 27.914,77 9.752,78 90.882,79 11.576,80 0.538,81 1.545,82 25.035,83 8.925,84 69.697,85 10.838,86 0.509,87 1.386,88 22.455,89 8.61,90 54.618,91 10.842,92 0.547,93 1.433,94 23.58,95 8.799,96 81.179,97 11.018,98 0.539,99 1.34,100 20.665,101 7.587,102 75.499,103 9.155,104 17,105 50,106 0.272,107 0.637,108 0.785,109 0.853,110 0.869,111 0.869,112 3.441,113 0.857,114 -5.49,115 -5.36,116 -5.01,118 46.9,119 1,120 1,124 2,135 8,136 4,137 1,139 2,143 1,149 1,152 1,153 1,159 11,161 3,162 9,164 2,166 13,169 6,173 7,175 4,176 11,178 1,179 2,180 4,184 6,186 1,187 5,190 3,191 8,193 1,194 1,195 7,198 9,201 2,202 4,204 10,206 1,207 2,208 5,211 5,214 2,215 4,216 1454,217 20.309,218 20.309,219 20.309,220 20.309,221 20.309,222 17.55,223 16.714,224 11.643,225 20.692,226 16.759,227 16.759,228 16.759,229 16.759,230 16.759,231 12.54,232 16.498,233 5.538,234 17.433,235 3.975,236 1.777,237 0.888,238 0.48,239 0.383,240 0.383,241 4.149,245 1,246 1,247 761,248 2.915,251 53.55,252 300.716,254 95.3,255 106.473,258 1.729,259 38.945,262 0.75,263 1,264 1,265 0.6,266 0.5,267 1,268 1,269 0.84,270 65.5,271 343,272 4.716,273 3.714,274 6.869,275 4.241,276 3.296,277 4.679,278 1.23,279 11.49,280 3.121,281 4.301,282 3.383,283 6.444,284 3.972,285 2.995,286 3.917,287 0.521,288 9.928,289 2.925,290 4.238,291 3.155,292 6.371,293 3.859,294 2.883,295 3.786,297 9.61,298 2.811,299 3.868,300 2.757,301 5.929,302 3.474,303 2.517,304 3.33,306 8.162,307 2.404,308 3.702,309 2.592,310 5.317,311 3.309,312 2.327,313 3.08,315 6.55,316 2.271,317 3.557,318 2.413,319 5.271,320 3.07,321 2.157,322 2.972,324 6.454,325 1.964,326 3.203,327 2.129,328 4.97,329 2.84,330 1.878,331 2.465,333 5.566,334 1.799,335 3.132,336 2.075,337 4.913,338 2.779,339 1.821,340 2.273,342 5.402,343 1.74,344 2.861,345 1.857,346 4.021,347 2.381,348 1.414,349 2.016,350 3.204,351 1.353,352 2.568,353 1.606,354 3.826,355 2.16,356 1.185,357 1.598,358 2.949,359 1.151,360 2.5,361 1.422,362 3.788,363 2,364 1,365 1.5,366 2.457,367 1,368 2.403,369 1,370 3.652,371 1.957,372 0.951,373 1.266,374 2.377,375 0.946,376 2.189,377 0.977,378 3.576,379 1.854,380 0.863,381 1.071,382 2.275,383 0.85,384 2.1,385 0.848,386 3.414,387 1.644,388 0.729,389 1.005,390 2.051,391 0.665,392 1.238,393 0.356,394 2.837,395 0.917,396 -0.018,397 -0.021,398 -0.044,399 -0.016,400 14.052,401 0.468,402 0.836,403 0.028,404 42.25,405 1.408,406 22,407 0.733,408 20.25,409 0.675,410 23.282,411 0.776,412 30.948,413 0.632,414 33.223,415 1.107,416 8.416,417 0.281,418 6.092,419 0.203,420 0.103,422 0.413,423 1,424 0.693,425 1.149,426 0.676,427 0.989,428 0.617,429 0.865,430 0.551,431 0.941,432 0.713,433 0.878,434 0.513,435 0.839,436 0.904,437 1.23,438 0.906,439 1.146,440 0.817,441 1.045,442 1.247,443 0.94,444 1.096,445 0.961,446 1.32,447 0.984,448 1.196,449 0.975,450 1.06,451 0.95,452 1.22,453 0.963,454 0.836,455 0.898,456 0.951,457 0.968,458 0.825,459 0.983,460 0.937,461 0.999,462 0.884,463 0.982,464 0.941,465 0.936,466 1.149,467 1.041,468 1.166,469 1.028,470 1.101,471 1.078,472 6,473 0.149,474 4.222,475 2.347,476 2.068,477 1.202,478 0.863,479 0.543,480 0.325,481 0.3,482 11849,483 33082,484 2.145,485 38.8,486 3,487 12,488 1,490 1,491 2,494 1.731,495 2,496 3.475,497 -0.349,499 1,502 80.368,503 1.64,504 3.838,505 4.727,506 5.135,507 5.232,508 5.232,509 2.933,510 4.64,511 4.876,512 3.602,513 1566.81,514 8.52,515 21018.3,517 1,519 1,520 275.121,521 1.429,522 4.837,523 0.176,524 0.007,525 0.084,526 0.044,527 0.043,528 0.028,529 0.021,530 0.013,531 0.01,532 0.011,533 0.438,534 0.33,535 0.75,536 0.551,537 152.439,538 -0.056,539 -0.16,540 0.041,541 -0.031,542 -0.064,543 0.011,544 0.148,545 0.054,546 0.098,547 0.06,548 0.059,549 0.06,550 -0.064,551 -0.229,552 -0.022,553 -0.188,554 -0.014,555 -0.113,556 -0.061,557 0.069,558 -0.098,559 -0.032,560 -0.099,561 -0.069,562 -0.132,563 -0.006,564 -0.073,565 -0.001,566 -0.152,567 -0.017,568 0.066,569 -0.016,570 -0.003,571 -0.011,572 0.029,573 -0.024,574 0.103,575 -0.049,576 0.116,577 -0.006,578 0.133,579 0.044,580 -0.039,581 0.021,582 -0.182,583 -0.066,584 -0.019,585 -0.133,586 2.057,587 6.247,588 0.833,589 29.831,590 1.013,591 1.124,592 4.256,593 18.111,594 0.693,595 3.555,596 3.932,597 4.263,598 4.564,599 4.86,600 5.03,601 5.231,602 5.425,603 5.58,604 5.71,605 6.542,606 0.676,607 402.46,608 3.555,609 5.13,610 6.014,611 6.919,612 7.82,613 8.732,614 9.642,615 10.559,616 11.474,617 12.394,618 8.2,623 1,624 1,626 2,631 1,632 9,633 2,637 8,639 22,642 1,647 1,649 1,650 49,652 23,653 2,654 34,656 53,657 23,658 18,659 4,660 8,661 1,663 5,664 8,667 1,670 1,672 1,674 19,675 4,677 1,680 1,683 1,685 1,686 1,687 19,688 6,689 1,690 7,692 1,694 4,696 0.6,697 2,703 1,708 1,709 4,711 1,712 1,728 3,732 1,734 1,735 30,738 1,739 3,744 1,754 1,755 4.1,757 1,758 1,762 15,763 9.31,764 6.389,765 2.945,766 4.022,767 1.48,768 1.02,769 4.522,770 12.398,771 3.85,772 4.525,773 5.178,774 5.803,775 6.39,776 6.795,777 7.247,778 7.717,779 8.095,780 8.481,781 0.875,782 53,783 11.176,784 5.005,785 7.906,786 20.975,787 17.783,788 2.406,789 72.167,791 1,792 1,793 211.88,794 134.225,795 37.982,797 67.828,798 14.96,800 134.225,801 279.708,802 52.942,803 8.825,804 9.87,805 84.857,806 107.819,807 28.663,808 26.731,809 200.109,811 211.88,812 172.207,813 82.788,816 226.84,817 67.828,819 27.211,820 111.425,821 33.571,823 226.84,824 105.81,825 134.225,827 211.88,828 40.543,829 98.093,831 116.359,832 211.88,833 120.77,834 134.225,835 0.596,836 0.358,837 0.192,838 0.108,839 27,840 12,841 0.038,842 2,843 2,844 1.16,845 4.078,846 288.256,847 0.16,848 25,849 143.207,852 18.773,853 7.226,854 3.27,855 0.483,856 119.484,857 15.402,858 8.877,862 3.354,864 42.683,865 466.875,866 46,869 12.975,872 -0.062,873 49.643,874 55.073,876 0.292,877 0.684,878 0.842,879 0.915,880 0.932,881 0.932,882 5.109,883 1.821,884 6.023,885 5.566,886 4.615,887 5.212,888 1.487,889 6.887,890 4.537,891 6.348,892 1.414,893 7.617,894 5.402,895 4.29,896 5.121,897 0.325,898 7.865,899 4.159,900 7.681,901 1.185,902 9.309,903 3.204,904 6.263,905 7.494,906 1.615,907 11,908 6.109,909 9.05,910 1,911 11.058,912 2.949,913 6.746,914 8.232,915 0.74,916 12.792,917 6.537,918 10.451,919 0.951,920 12.843,921 2.457,922 8.205,923 10.088,924 1.853,925 15.451,926 7.971,927 11.875,928 0.863,929 14.653,930 2.377,931 9.051,932 11.219,933 1.168,934 17.584,935 8.763,936 13.316,937 0.729,938 16.48,939 2.275,940 10.315,941 12.869,942 2.14,943 20.079,944 9.994,945 3.296,946 -0.018,947 18.321,948 2.051,949 11.329,950 14.2,951 1.605,952 22.363,953 10.955,954 2.995,955 11.49,956 20.173,957 -0.044,958 12.52,959 15.768,960 2.456,961 24.801,962 12.107,963 2.883,964 9.928,965 22.033,966 4.679,967 13.613,968 17.198,969 2.049,970 27.156,971 13.146,972 2.517,973 9.61,974 23.9,975 3.917,976 14.78,977 18.737,978 2.793,979 29.576,980 14.268,981 2.327,982 8.162,983 25.772,984 3.786,985 15.911,986 20.218,987 2.494,988 31.965,989 15.344,990 2.157,991 6.55,992 27.65,993 3.33,994 17.073,995 21.749,996 3.145,997 34.384,998 16.456,999 1.878,1000 6.454,1001 29.532,1002 3.08,1003 18.223,1004 23.257,1005 2.938,1006 36.791,1007 17.551,1008 11032,1009 18607,1010 22.887,1011 33.961,1012 52.794,1013 53.619,1014 54.372,1015 52.149,1016 52.035,1017 69.915,1018 3.503,1019 156.945,1020 50.004,1021 5.661,1022 5.714,1023 6.553,1024 5.32,1025 5.296,1026 7.679,1027 2.335,1028 19.012,1029 5.121,1030 14.295,1031 1.553,1032 1.577,1033 1.599,1034 1.534,1035 1.53,1036 2.056,1037 0.103,1038 4.616,1039 1.471,1040 4.159,1041 4.203,1042 4.138,1043 4.009,1044 8.201,1045 4.034,1046 3.942,1047 3.97,1048 3.888,1049 3.873,1050 7.428,1051 3.872,1052 3.869,1053 3.9,1054 3.82,1055 3.785,1056 6.477,1057 3.79,1058 3.644,1059 3.704,1060 3.559,1061 3.464,1062 5.004,1063 3.481,1064 3.322,1065 3.366,1066 3.256,1067 3.16,1068 4.714,1069 3.172,1070 3.147,1071 3.207,1072 3.057,1073 2.94,1074 4.624,1075 2.953,1076 3.039,1077 3.115,1078 2.871,1079 2.894,1080 4.388,1081 2.884,1082 2.922,1083 2.969,1084 2.818,1085 2.735,1086 4,1087 2.735,1088 0.139,1089 0.109,1090 0.202,1091 0.125,1092 0.097,1093 4.716,1094 0.138,1095 3.714,1096 0.036,1097 6.869,1098 0.338,1099 4.241,1100 0.092,1101 3.296,1102 4.679,1103 1.23,1104 11.49,1105 3.121,1106 1.959,1107 1.927,1108 2.062,1109 2.121,1110 1.308,1111 2.097,1112 1.901,1113 1.877,1114 2.001,1115 2.001,1116 1.134,1117 2.006,1118 1.894,1119 1.861,1120 1.994,1121 1.984,1122 1.084,1123 1.988,1124 1.503,1125 1.445,1126 1.647,1127 1.749,1128 0.841,1129 1.726,1130 1.314,1131 1.272,1132 1.545,1133 1.483,1134 0.666,1135 1.493,1136 1.249,1137 1.189,1138 1.456,1139 1.444,1140 0.606,1141 1.455,1142 1.048,1143 0.968,1144 1.326,1145 1.296,1146 0.45,1147 1.321,1148 0.886,1149 0.821,1150 1.181,1151 1.086,1152 0.218,1153 1.107,1154 4.234,1156 5.595,1157 2.398,1158 7.155,1159 4.727,1160 8.806,1161 6.88,1162 10.505,1164 1.978,1166 14.247,1168 10.373,1169 1.342,1174 1.753,1179 33.113,1180 80.368,1181 188.062,1182 231.611,1183 251.611,1184 256.366,1185 256.366,1186 57.013,1187 8.376,1188 70.73,1189 70.73,1190 29,1191 12.903,1192 4.585,1193 3.7,1194 41.518,1195 116,1196 134,1197 0.175,1198 198.594,1199 339.67,1200 476.329,1201 52251,1202 2,1203 20.828,1204 0.694,1205 0.545,1206 19.957,1207 16.34,1208 14.508,1209 0.427,1210 0.286,1211 9.581,1212 13.963,1213 9.367,1214 7.715,1215 14.097,1216 9.717,1217 13.574,1218 0.271,1219 0.15,1220 13.046,1221 7.479,1222 12.075,1223 0.172,1224 0.078,1225 11.608,1226 5.478,1227 10.132,1228 0.107,1229 0.04,1230 9.728,1231 3.847,1232 8.539,1233 0.067,1234 0.022,1235 8.344,1236 2.786,1237 0.271,1238 90.998,1239 0.209,1240 28.003,1241 0.491,1242 168,1243 536.577,1244 185.751,1245 497.342,1246 680.67,1247 464,1248 204,1249 508.324,1250 222.83,1251 509.543,1252 755.79,1253 480,1254 7.046}
{0 CHEMBL344120,1 1.64,2 10.8,3 4.053,4 16.428,5 109.629,6 8.213,7 0.647,8 4.024,9 4.128,10 3.677,11 3.597,12 5.209,13 3.6,14 4.546,15 4.699,16 4.086,17 4.009,18 5.73,19 3.997,20 4.792,21 4.965,22 4.195,23 4.145,24 5.978,25 4.126,26 4.898,27 5.088,28 4.179,29 4.104,30 6.189,31 4.085,32 4.841,33 5.044,34 4.033,35 4.039,36 6.012,37 4.005,38 4.761,39 4.957,40 3.979,41 4.038,42 5.924,43 3.978,44 4.793,45 5.023,46 3.974,47 3.992,48 6.002,49 3.927,50 4.654,51 4.879,52 3.82,53 3.828,54 5.882,55 3.777,56 0.076,57 0.797,58 8.12,59 4.249,60 11.711,61 4.932,62 0.332,63 1.325,64 16.005,65 7.057,66 21.905,67 8.752,68 0.279,69 1.652,70 22.03,71 9.29,72 38.597,73 11.32,74 0.677,75 1.782,76 27.083,77 9.745,78 85.469,79 11.457,80 0.632,81 1.617,82 26.81,83 9.209,84 82.115,85 10.923,86 0.536,87 1.451,88 23.564,89 9.182,90 59.201,91 11.561,92 0.506,93 1.523,94 26.659,95 10.254,96 76.782,97 13.638,98 0.562,99 1.379,100 23.273,101 8.181,102 80.134,103 10.357,104 17,105 50,106 0.272,107 0.637,108 0.781,109 0.855,110 0.889,111 0.896,112 3.441,113 0.858,114 -5.49,115 -5.36,116 -5.01,118 46.9,119 1,120 1,124 2,135 8,136 4,137 1,139 2,143 1,149 1,152 1,153 1,159 11,161 3,162 9,164 2,166 13,169 6,173 7,175 4,176 13,178 1,179 2,180 4,184 6,186 1,187 5,190 3,191 6,193 1,194 1,195 9,198 9,201 2,202 4,204 13,206 1,207 2,208 3,211 5,214 2,215 4,216 1422,217 20.361,218 20.361,219 20.361,220 20.361,221 20.361,222 17.574,223 16.714,224 11.715,225 20.745,226 16.76,227 16.76,228 16.76,229 16.76,230 16.76,231 12.525,232 17.223,233 5.546,234 17.435,235 3.975,236 1.777,237 0.913,238 0.464,239 0.26,240 0.219,241 4.149,245 1,246 1,247 717,248 2.915,251 52.593,252 297.447,254 93.659,255 104.488,258 1.68,259 39.227,262 0.75,263 1,264 1,265 0.6,266 0.5,267 1,268 1,269 0.84,270 65.5,271 324,272 4.716,273 3.732,274 6.87,275 4.243,276 3.298,277 4.679,278 1.23,279 11.493,280 3.129,281 4.368,282 3.386,283 6.576,284 4.04,285 3.055,286 3.944,287 0.521,288 10.281,289 3.008,290 4.277,291 3.156,292 6.419,293 3.885,294 2.91,295 3.912,297 9.831,298 2.831,299 3.874,300 2.787,301 5.96,302 3.496,303 2.551,304 3.327,306 8.283,307 2.399,308 3.599,309 2.637,310 5.585,311 3.22,312 2.255,313 2.984,315 7.09,316 2.171,317 3.539,318 2.412,319 5.317,320 3.062,321 2.148,322 2.835,324 6.478,325 1.955,326 3.201,327 2.089,328 4.97,329 2.785,330 1.826,331 2.464,333 5.402,334 1.748,335 2.872,336 2.07,337 4.438,338 2.49,339 1.507,340 2.029,342 4.085,343 1.475,344 2.861,345 1.606,346 4.019,347 2.414,348 1.414,349 2.016,350 3.204,351 1.414,352 2.814,353 1.511,354 3.813,355 2.381,356 1.414,357 1.9,358 3.006,359 1.353,360 2.568,361 1.422,362 3.769,363 2.156,364 1.183,365 1.597,366 2.949,367 1.148,368 2.352,369 1.309,370 3.65,371 1.9,372 0.924,373 1.213,374 2.433,375 0.897,376 2.185,377 0.977,378 3.576,379 1.817,380 0.806,381 1.054,382 2.247,383 0.807,384 2.1,385 0.848,386 3.49,387 1.643,388 0.722,389 1.001,390 1.898,391 0.663,392 1.238,393 0.354,394 2.835,395 0.917,396 -0.018,397 -0.021,398 -0.044,399 -0.016,400 14.052,401 0.468,402 0.819,403 0.027,404 42.25,405 1.408,406 22,407 0.733,408 20.25,409 0.675,410 23.614,411 0.787,412 30.948,413 0.632,414 33.314,415 1.11,416 8.432,417 0.281,418 6.093,419 0.203,420 0.103,422 0.413,423 1,424 0.693,425 1.149,426 0.676,427 0.989,428 0.616,429 0.865,430 0.551,431 0.941,432 0.713,433 0.878,434 0.516,435 0.839,436 0.902,437 1.207,438 0.876,439 1.11,440 0.818,441 1.006,442 1.229,443 1,444 1.095,445 1.028,446 1.297,447 1.028,448 1.34,449 0.931,450 1.147,451 0.912,452 1.377,453 0.962,454 0.821,455 0.876,456 1.024,457 0.993,458 0.813,459 1.044,460 0.647,461 0.981,462 0.769,463 1.018,464 0.636,465 0.948,466 1.051,467 1.023,468 0.994,469 0.938,470 1.015,471 0.945,472 5.5,473 0.136,474 4.222,475 2.597,476 2.148,477 1.146,478 0.802,479 0.578,480 0.327,481 0.293,482 11633,483 32714,484 2.145,485 38.8,486 3,487 12,488 1,490 1,491 2,494 1.731,495 2,496 3.409,497 -0.349,499 1,502 80.368,503 1.64,504 3.838,505 4.701,506 5.15,507 5.354,508 5.395,509 2.857,510 4.774,511 4.878,512 3.55,513 1544.26,514 8.527,515 20644.2,517 1,519 1,520 275.121,521 1.429,522 4.837,523 0.162,524 0.006,525 0.084,526 0.048,527 0.043,528 0.026,529 0.019,530 0.014,531 0.009,532 0.01,533 0.423,534 0.33,535 0.75,536 0.551,537 151.92,538 -0.056,539 -0.16,540 0.041,541 -0.031,542 -0.063,543 0.011,544 0.148,545 0.054,546 0.098,547 0.06,548 0.056,549 0.06,550 -0.062,551 -0.206,552 0.008,553 -0.151,554 -0.015,555 -0.073,556 -0.051,557 0.017,558 -0.118,559 -0.102,560 -0.082,561 -0.125,562 -0.198,563 0.031,564 -0.149,565 0.026,566 -0.197,567 -0.031,568 0.043,569 -0.002,570 -0.082,571 -0.03,572 0.005,573 -0.077,574 0.204,575 -0.083,576 0.249,577 -0.013,578 0.205,579 0.096,580 0.025,581 -0.007,582 0.04,583 0.034,584 0.028,585 0.04,586 2.057,587 6.257,588 0.833,589 28.693,590 1.013,591 1.124,592 4.256,593 18.111,594 0.693,595 3.555,596 3.932,597 4.277,598 4.585,599 4.86,600 5.017,601 5.231,602 5.442,603 5.595,604 5.714,605 6.391,606 0.676,607 402.46,608 3.555,609 5.13,610 6.019,611 6.927,612 7.832,613 8.746,614 9.658,615 10.577,616 11.494,617 12.415,618 8.2,623 1,624 1,626 2,631 1,632 9,633 2,637 8,639 22,642 1,647 1,649 1,650 49,652 23,653 2,654 34,656 53,657 23,658 18,659 4,660 8,661 1,663 5,664 8,667 1,670 1,672 1,674 19,675 4,677 1,680 1,683 1,685 1,686 1,687 19,688 6,689 1,690 7,692 1,694 4,696 0.6,697 2,703 1,708 1,709 4,711 1,712 1,728 3,732 1,734 1,735 30,738 1,739 3,744 1,754 1,755 4.1,757 1,758 1,762 15,763 9.31,764 6.417,765 2.952,766 4.06,767 1.485,768 1.02,769 4.522,770 12.436,771 3.85,772 4.525,773 5.187,774 5.816,775 6.384,776 6.776,777 7.247,778 7.729,779 8.101,780 8.481,781 1,782 54,783 11.179,784 5.009,785 7.906,786 20.975,787 17.787,788 2.406,789 72.167,791 1,792 1,793 211.88,794 134.225,795 37.982,797 67.828,798 14.96,800 134.225,801 279.708,802 52.942,803 8.825,804 9.87,805 84.857,806 107.819,807 28.663,808 26.731,809 200.109,811 211.88,812 172.207,813 82.788,816 226.84,817 67.828,819 27.211,820 111.425,821 33.571,823 226.84,824 105.81,825 134.225,827 211.88,828 40.543,829 98.093,831 116.359,832 211.88,833 120.77,834 134.225,835 0.595,836 0.364,837 0.2,838 0.108,839 27,840 12,841 0.038,842 2,843 2,844 1.16,845 4.048,846 290.28,847 0.16,848 25,849 145.207,852 18.773,853 7.226,854 3.174,855 0.484,856 119.484,857 15.425,858 8.889,862 3.224,864 42.683,865 466.875,866 46,869 13.084,872 -0.05,873 49.643,874 55.073,876 0.292,877 0.684,878 0.837,879 0.917,880 0.954,881 0.961,882 5.109,883 1.507,884 6.028,885 5.402,886 4.615,887 5.212,888 1.487,889 6.903,890 4.537,891 6.348,892 1.414,893 7.629,894 4.085,895 4.29,896 5.121,897 0.325,898 7.906,899 4.159,900 7.683,901 1.414,902 9.33,903 3.204,904 6.271,905 7.499,906 1.615,907 11.053,908 6.117,909 9.055,910 1.183,911 11.09,912 3.006,913 6.77,914 8.25,915 0.74,916 12.868,917 6.566,918 10.461,919 0.924,920 12.885,921 2.949,922 8.231,923 10.105,924 1.853,925 15.533,926 8.003,927 11.89,928 0.806,929 14.705,930 2.433,931 9.094,932 11.25,933 1.168,934 17.676,935 8.821,936 13.338,937 0.722,938 16.542,939 2.247,940 10.36,941 12.899,942 2.14,943 20.175,944 10.057,945 3.298,946 -0.018,947 18.392,948 1.898,949 11.387,950 14.236,951 1.605,952 22.463,953 11.04,954 3.055,955 11.493,956 20.251,957 -0.044,958 12.58,959 15.802,960 2.456,961 24.901,962 12.198,963 2.91,964 10.281,965 22.118,966 4.679,967 13.681,968 17.235,969 2.049,970 27.255,971 13.254,972 2.551,973 9.831,974 23.991,975 3.944,976 14.85,977 18.771,978 2.793,979 29.675,980 14.383,981 2.255,982 8.283,983 25.869,984 3.912,985 15.985,986 20.252,987 2.494,988 32.061,989 15.471,990 2.148,991 7.09,992 27.751,993 3.327,994 17.148,995 21.779,996 3.145,997 34.477,998 16.591,999 1.826,1000 6.478,1001 29.637,1002 2.984,1003 18.299,1004 23.285,1005 2.938,1006 36.88,1007 17.695,1008 10833,1009 18332,1010 22.887,1011 33.961,1012 52.768,1013 53.641,1014 54.553,1015 52.137,1016 52.025,1017 69.909,1018 3.503,1019 157.359,1020 49.993,1021 5.661,1022 5.732,1023 6.555,1024 5.322,1025 5.298,1026 7.679,1027 2.335,1028 19.016,1029 5.129,1030 14.07,1031 1.552,1032 1.578,1033 1.605,1034 1.533,1035 1.53,1036 2.056,1037 0.103,1038 4.628,1039 1.47,1040 4.159,1041 4.203,1042 4.138,1043 4.01,1044 8.201,1045 4.035,1046 3.946,1047 3.972,1048 3.893,1049 3.876,1050 7.427,1051 3.876,1052 3.869,1053 3.899,1054 3.82,1055 3.785,1056 6.477,1057 3.789,1058 3.638,1059 3.699,1060 3.551,1061 3.459,1062 5.004,1063 3.475,1064 3.271,1065 3.311,1066 3.224,1067 3.074,1068 4.716,1069 3.102,1070 3.169,1071 3.256,1072 3.018,1073 3.014,1074 4.624,1075 2.995,1076 3.076,1077 3.124,1078 2.953,1079 2.918,1080 4.388,1081 2.903,1082 3.03,1083 3.079,1084 2.871,1085 2.836,1086 3.993,1087 2.861,1088 0.139,1089 0.11,1090 0.202,1091 0.125,1092 0.097,1093 4.716,1094 0.138,1095 3.732,1096 0.036,1097 6.87,1098 0.338,1099 4.243,1100 0.092,1101 3.298,1102 4.679,1103 1.23,1104 11.493,1105 3.129,1106 1.961,1107 1.93,1108 2.063,1109 2.122,1110 1.309,1111 2.098,1112 1.901,1113 1.877,1114 1.999,1115 2.002,1116 1.139,1117 2.005,1118 1.893,1119 1.861,1120 1.994,1121 1.984,1122 1.084,1123 1.988,1124 1.496,1125 1.437,1126 1.641,1127 1.742,1128 0.841,1129 1.72,1130 1.301,1131 1.256,1132 1.552,1133 1.465,1134 0.646,1135 1.469,1136 1.209,1137 1.133,1138 1.457,1139 1.418,1140 0.604,1141 1.458,1142 1.139,1143 1.085,1144 1.353,1145 1.372,1146 0.466,1147 1.374,1148 0.939,1149 0.888,1150 1.167,1151 1.164,1152 0.24,1153 1.159,1154 4.234,1156 5.595,1157 2.398,1158 7.16,1159 4.727,1160 8.818,1161 6.88,1162 10.524,1164 1.915,1166 14.257,1168 10.384,1169 1.343,1174 1.765,1179 33.113,1180 80.368,1181 188.062,1182 230.366,1183 252.366,1184 262.366,1185 264.366,1186 57.46,1187 8.376,1188 70.73,1189 70.73,1190 29,1191 12.924,1192 4.585,1193 3.7,1194 41.471,1195 114,1196 110,1197 0.178,1198 198.594,1199 339.67,1200 476.329,1201 52251,1202 2,1203 20.828,1204 0.694,1205 0.545,1206 19.957,1207 16.34,1208 14.525,1209 0.427,1210 0.286,1211 9.586,1212 13.98,1213 9.376,1214 7.719,1215 14.114,1216 9.723,1217 13.48,1218 0.27,1219 0.149,1220 12.952,1221 7.428,1222 12.124,1223 0.171,1224 0.078,1225 11.657,1226 5.555,1227 10.411,1228 0.107,1229 0.041,1230 10.007,1231 3.951,1232 8.532,1233 0.067,1234 0.022,1235 8.337,1236 2.784,1237 0.275,1238 91.099,1239 0.209,1240 27.886,1241 0.505,1242 168,1243 536.577,1244 185.751,1245 497.09,1246 681.17,1247 464,1248 205,1249 509.324,1250 223.83,1251 510.144,1252 758.03,1253 481,1254 6.955}
{0 CHEMBL35571,1 1.647,2 18.578,3 4.62,4 21.346,5 162.401,6 8.488,7 0.44,8 4.39,9 4.486,10 4.069,11 3.923,12 5.633,13 3.945,14 4.92,15 5.068,16 4.463,17 4.316,18 6.145,19 4.334,20 5.165,21 5.303,22 4.666,23 4.555,24 6.425,25 4.557,26 5.37,27 5.531,28 4.701,29 4.603,30 6.677,31 4.599,32 5.308,33 5.475,34 4.574,35 4.535,36 6.587,37 4.517,38 5.263,39 5.452,40 4.443,41 4.394,42 6.609,43 4.367,44 5.137,45 5.337,46 4.246,47 4.221,48 6.523,49 4.188,50 4.962,51 5.16,52 4.041,53 4.119,54 6.187,55 4.05,56 0.144,57 1.051,58 10.608,59 5.834,60 21.794,61 6.456,62 0.781,63 1.732,64 23.68,65 9.275,66 55.275,67 10.59,68 0.691,69 2.151,70 28.805,71 13.077,72 68.747,73 15.03,74 1.359,75 2.475,76 41.366,77 15.659,78 151.953,79 17.447,80 1.121,81 2.341,82 38.438,83 14.58,84 126.213,85 16.193,86 1.097,87 2.173,88 38.902,89 14.274,90 150.75,91 16.781,92 1.414,93 1.81,94 38.402,95 12.775,96 185.766,97 14.828,98 0.764,99 1.572,100 29.487,101 11.559,102 124.693,103 14.107,104 69,105 73,106 0.251,107 0.62,108 0.728,109 0.748,110 0.748,111 0.748,112 3.832,113 0.835,114 -4.22,115 -4.16,116 -3.93,118 46.5,120 1,123 2,124 4,132 2,133 2,135 6,136 4,137 2,139 2,144 2,149 4,151 2,159 12,161 6,162 10,166 14,168 6,169 8,173 12,175 9,176 16,180 4,183 4,184 16,190 4,191 18,197 6,198 12,203 3,204 6,208 4,210 4,211 6,215 4,216 4092,217 30.447,218 30.447,219 30.447,220 30.447,221 30.447,222 27.379,223 40.635,224 17.381,225 31.14,226 24.46,227 24.46,228 24.46,229 24.46,230 24.46,231 19.137,232 40.844,233 8.027,234 25.479,235 4.503,236 2.078,237 1.366,238 1.233,239 1.233,240 1.233,241 4.539,247 1842,248 4.583,251 179.208,252 231.89,253 245.391,255 361.817,256 405.651,258 2.406,259 66.744,262 0.5,263 0.5,264 0.67,265 0.4,266 0.5,267 0.67,268 1,269 0.6,270 99,271 836,272 4.644,273 3.77,274 6.946,275 4.269,276 3.308,277 4.348,278 1.674,279 11.728,280 3.183,281 4.644,282 3.769,283 6.946,284 4.269,285 3.308,286 4.348,287 1.674,288 11.728,289 3.183,290 4.285,291 3.667,292 6.483,293 3.901,294 2.917,295 3.889,296 1.23,297 9.995,298 2.858,299 4.284,300 3.664,301 6.483,302 3.899,303 2.915,304 3.889,305 1.23,306 9.994,307 2.857,308 3.885,309 3.121,310 5.931,311 3.474,312 2.512,313 3.178,314 0.521,315 8.03,316 2.424,317 3.885,318 3.119,319 5.931,320 3.474,321 2.512,322 3.178,323 0.521,324 8.029,325 2.424,326 3.743,327 2.901,328 5.505,329 3.349,330 2.382,331 2.998,333 7.064,334 2.285,335 3.739,336 2.9,337 5.503,338 3.34,339 2.37,340 2.996,342 7.061,343 2.28,344 3.445,345 2.533,346 5.198,347 3.051,348 2.085,349 2.574,350 6.213,351 1.999,352 3.435,353 2.531,354 5.197,355 3.028,356 2.056,357 2.564,358 6.206,359 1.982,360 2.973,361 2.096,362 4.515,363 2.622,364 1.677,365 1.904,366 4.119,367 1.575,368 2.966,369 1.986,370 4.503,371 2.392,372 1.443,373 1.877,374 3.971,375 1.362,376 2.83,377 1.967,378 4.093,379 2.316,380 1.334,381 1.71,382 3.308,383 1.302,384 2.794,385 1.691,386 4.086,387 2.105,388 1.162,389 1.592,390 3.123,391 1.091,392 2.643,393 1.5,394 3.996,395 2.103,396 1.158,397 1.586,398 3.115,399 1.09,400 20.9,401 0.464,402 1.22,403 0.027,404 61,405 1.356,406 30,407 0.667,408 31,409 0.689,410 40.246,411 0.894,412 46.3,413 0.652,414 59.778,415 1.328,416 12.506,417 0.278,418 9.204,419 0.205,420 0.159,422 0.411,424 0.728,425 1.449,426 0.644,427 1.118,428 0.566,429 0.911,430 0.853,431 0.894,432 0.758,433 0.705,434 0.55,435 0.687,436 0.828,437 1.126,438 0.82,439 1.053,440 0.701,441 0.96,442 1.223,443 1.004,444 1.06,445 0.969,446 1.439,447 0.981,448 1.281,449 1.086,450 1.183,451 1.058,452 1.266,453 1.088,454 1.14,455 1.115,456 1.146,457 1.181,458 1.062,459 1.159,460 1.3,461 0.765,462 1.15,463 0.843,464 1.106,465 0.934,466 0.97,467 1.067,468 1.157,469 1.213,470 0.937,471 1.233,472 8.5,473 0.237,474 6.444,475 3.944,476 3.857,477 2.453,478 1.347,479 0.632,480 0.491,481 0.341,482 41258,483 125064,484 2.079,485 36.6,487 20,488 2,489 2,493 2,494 1.821,495 1.915,496 4.062,497 -0.729,502 116.936,503 1.647,504 4.072,505 4.783,506 4.917,507 4.917,508 4.917,509 3.469,510 4.514,511 5.47,512 4.277,513 4234,514 9.648,515 83993.4,520 436.632,521 1.497,522 5.408,523 0.17,524 0.006,525 0.088,526 0.045,527 0.044,528 0.032,529 0.021,530 0.012,531 0.012,532 0.009,533 0.439,534 0.33,535 0.63,536 0.765,537 267.464,538 -0.047,539 -0.337,540 0.063,541 -0.157,542 -0.037,543 -0.053,544 0.062,545 0.221,546 0.102,547 0.224,548 0.055,549 0.191,550 0.036,551 -0.073,552 0.028,553 -0.083,554 0.037,555 -0.045,556 -0.048,558 -0.086,559 -0.007,560 -0.201,561 -0.052,562 -0.17,563 -0.073,564 -0.216,565 -0.098,566 -0.163,567 -0.154,568 -0.027,569 -0.135,570 -0.119,571 -0.211,572 0.041,573 -0.183,574 0.01,575 0.166,576 -0.042,577 0.143,578 0.088,579 0.067,580 0.015,581 -0.138,582 -0.123,583 -0.201,584 -0.017,585 -0.197,586 2.335,587 5.978,588 0.622,589 55.526,590 1.02,591 1.118,592 2.985,593 8.911,594 0.695,595 3.932,596 4.304,597 4.654,598 4.956,599 5.231,600 5.464,601 5.602,602 5.707,603 5.844,604 5.878,605 10.414,606 0.686,607 602.65,608 3.932,609 5.509,610 6.399,611 7.307,612 8.216,613 9.133,614 10.05,615 10.97,616 11.891,617 12.814,618 8.5,623 2,624 2,626 2,632 8,633 2,637 10,638 2,639 22,642 2,643 2,650 71,652 28,653 2,654 50,656 76,657 33,658 18,659 6,660 6,661 4,663 6,664 12,672 1,673 4,674 22,675 7,677 4,680 4,683 4,687 26,688 10,690 12,692 2,694 6,696 0.333,697 6,708 2,709 2,710 2,712 2,713 2,715 2,716 2,728 2,732 2,735 45,739 5,741 2,744 2,747 2,748 2,753 2,755 8.5,758 4,760 2,762 23.5,763 14.033,764 9.889,765 4.114,766 4.755,767 1.494,768 0.998,769 8.038,770 14.377,771 4.248,772 4.832,773 5.49,774 6.072,775 6.586,776 7.046,777 7.46,778 7.779,779 8.128,780 8.432,781 1,782 88,783 16.741,784 7.405,785 8.007,786 30.827,787 25.416,788 2.507,789 112.833,793 306.049,794 240.597,795 43.618,797 122.579,800 240.597,801 428.628,802 43.618,803 16.793,804 22.179,805 56.857,806 198.722,807 49.567,808 109.759,809 258.964,811 306.049,812 284.214,813 122.579,816 282.506,817 146.122,819 48.728,820 167.854,821 67.632,823 306.049,824 166.197,825 240.597,827 306.049,828 69.005,829 100.934,830 34.061,831 202.793,832 306.049,833 166.197,834 240.597,835 0.59,836 0.367,837 0.198,838 0.113,839 36,840 18,841 0.105,842 8,843 4,844 1.286,845 5.215,846 485.156,847 0.286,848 28,849 203.133,852 29.908,853 12.094,854 5.401,856 162.399,857 13.088,858 8.527,862 4.205,863 3.362,865 712.843,866 69,869 51.904,872 -1.805,873 72.411,874 79.398,876 0.268,877 0.662,878 0.778,879 0.8,880 0.8,881 0.8,882 5.531,883 2.37,884 6.412,885 7.064,886 4.99,887 5.521,888 2.948,889 7.295,890 4.916,891 6.765,892 2.085,893 8.021,894 7.061,895 4.691,896 5.407,897 0.57,898 8.334,899 4.599,900 8.096,901 2.056,902 9.731,903 6.213,904 6.658,905 7.736,906 3.701,907 11.485,908 6.516,909 9.461,910 1.677,911 11.498,912 6.206,913 7.186,914 8.479,915 1.16,916 13.341,917 7.023,918 10.859,919 1.443,920 13.302,921 4.119,922 8.626,923 10.264,924 4.604,925 16.022,926 8.419,927 12.281,928 1.334,929 15.13,930 3.971,931 9.512,932 11.382,933 1.692,934 18.211,935 9.278,936 13.72,937 1.162,938 16.977,939 3.308,940 10.769,941 12.965,942 5.573,943 20.736,944 10.494,945 3.308,946 1.158,947 18.837,948 3.123,949 11.815,950 14.257,951 2.193,952 23.07,953 11.507,954 3.308,955 11.728,956 20.709,957 3.115,958 13.009,959 15.76,960 6.573,961 25.542,962 12.663,963 2.917,964 11.728,965 22.588,966 4.348,967 14.127,968 17.135,969 2.675,970 27.939,971 13.743,972 2.915,973 9.995,974 24.475,975 4.348,976 15.304,977 18.606,978 7.588,979 30.394,980 14.882,981 2.512,982 9.994,983 26.368,984 3.889,985 16.455,986 20.022,987 3.145,988 32.82,989 15.994,990 2.512,991 8.03,992 28.266,993 3.889,994 17.631,995 21.482,996 8.611,997 35.271,998 17.131,999 2.382,1000 8.029,1001 30.168,1002 3.178,1003 18.799,1004 22.918,1005 3.605,1006 37.712,1007 18.259,1008 38226,1009 66764,1010 32.945,1011 49.375,1012 79.799,1013 80.938,1014 80.672,1015 76.02,1016 75.938,1017 99.476,1018 13.704,1019 229.806,1020 73.124,1021 5.598,1022 5.77,1023 6.715,1024 5.372,1025 5.308,1026 7.348,1027 3.349,1028 19.395,1029 5.183,1030 27.137,1031 1.596,1032 1.619,1033 1.613,1034 1.52,1035 1.519,1036 1.99,1037 0.274,1038 4.596,1039 1.462,1040 4.117,1041 4.154,1042 4.088,1043 3.994,1044 7.437,1045 4.01,1046 4.068,1047 4.105,1048 4.042,1049 3.949,1050 7.431,1051 3.965,1052 3.794,1053 3.815,1054 3.756,1055 3.676,1056 7.427,1057 3.694,1058 3.78,1059 3.804,1060 3.747,1061 3.668,1062 7.426,1063 3.686,1064 3.627,1065 3.676,1066 3.508,1067 3.434,1068 5.451,1069 3.439,1070 3.52,1071 3.583,1072 3.446,1073 3.283,1074 5.442,1075 3.316,1076 3.509,1077 3.577,1078 3.424,1079 3.27,1080 4.924,1081 3.3,1082 3.294,1083 3.303,1084 3.247,1085 3.14,1086 4.898,1087 3.142,1088 0.093,1089 0.075,1090 0.139,1091 0.085,1092 0.066,1093 4.644,1094 0.087,1095 3.77,1096 0.033,1097 6.946,1098 0.235,1099 4.269,1100 0.064,1101 3.308,1102 4.348,1103 1.674,1104 11.728,1105 3.183,1106 1.938,1107 1.919,1108 2.008,1109 2.022,1110 1.161,1111 2.017,1112 1.938,1113 1.919,1114 2.008,1115 2.022,1116 1.138,1117 2.017,1118 1.679,1119 1.645,1120 1.869,1121 1.9,1122 1.137,1123 1.882,1124 1.657,1125 1.616,1126 1.808,1127 1.871,1128 1.028,1129 1.852,1130 1.582,1131 1.523,1132 1.798,1133 1.82,1134 1.025,1135 1.817,1136 1.384,1137 1.35,1138 1.543,1139 1.648,1140 0.623,1141 1.591,1142 1.382,1143 1.346,1144 1.533,1145 1.565,1146 0.619,1147 1.549,1148 1.365,1149 1.327,1150 1.464,1151 1.56,1152 0.471,1153 1.549,1154 4.615,1156 5.974,1157 3.045,1158 7.518,1159 5.533,1160 9.149,1161 7.758,1162 10.83,1164 3.257,1169 0.395,1171 10.859,1174 2.959,1177 11.023,1178 5.06,1179 48.685,1180 116.936,1181 289.122,1182 339.612,1183 349.122,1184 349.122,1185 349.122,1186 111.28,1187 9.622,1188 128.86,1189 128.86,1190 36,1191 13.321,1192 4.858,1193 4.322,1194 69.087,1195 296,1196 257,1197 0.114,1198 295.007,1199 532.92,1200 711.578,1201 302322,1203 31.827,1204 0.707,1205 0.543,1206 31.827,1207 24.442,1208 21.71,1209 0.434,1210 0.278,1211 13.643,1212 20.674,1213 13.318,1214 10.997,1215 21.71,1216 13.911,1217 19.705,1218 0.27,1219 0.144,1220 19.705,1221 10.52,1222 17.963,1223 0.173,1224 0.074,1225 17.963,1226 7.648,1227 14.759,1228 0.105,1229 0.038,1230 14.759,1231 5.35,1232 12.22,1233 0.066,1234 0.02,1235 12.22,1236 3.69,1237 0.187,1238 137.688,1239 0.174,1240 40.011,1241 0.291,1242 246,1243 826.284,1244 275.374,1245 788.308,1246 1068.56,1247 734,1248 300,1249 783.06,1250 332.267,1251 791.707,1252 1170.46,1253 740,1254 7.824}
{0 CHEMBL356161,1 1.58,2 10.714,3 4.227,4 17.863,5 104.757,6 7.967,7 0.688,8 3.981,9 4.092,10 3.616,11 3.557,12 5.121,13 3.552,14 4.508,15 4.667,16 4.005,17 3.968,18 5.635,19 3.945,20 4.761,21 4.954,22 4.066,23 4.094,24 5.841,25 4.046,26 4.852,27 5.086,28 4.024,29 4.041,30 5.962,31 3.982,32 4.745,33 4.968,34 3.906,35 3.978,36 5.767,37 3.914,38 4.707,39 4.928,40 3.842,41 3.961,42 5.738,43 3.89,44 4.662,45 4.88,46 3.852,47 3.899,48 5.863,49 3.827,50 4.561,51 4.791,52 3.664,53 3.743,54 5.678,55 3.68,56 0.045,57 0.775,58 8.392,59 4.095,60 8.877,61 4.962,62 0.263,63 1.296,64 16.124,65 6.737,66 18.871,67 8.583,68 0.199,69 1.613,70 22.77,71 9.198,72 30.486,73 11.813,74 0.545,75 1.723,76 28.147,77 9.78,78 61.229,79 12.888,80 0.382,81 1.523,82 24.677,83 8.881,84 43.601,85 11.602,86 0.383,87 1.391,88 23.734,89 8.518,90 40.343,91 11.09,92 0.386,93 1.389,94 22.63,95 8.863,96 63.07,97 11.74,98 0.423,99 1.275,100 21.52,101 7.34,102 52.34,103 9.231,104 5,105 46,106 0.265,107 0.605,108 0.732,109 0.827,110 0.876,111 0.876,112 3.375,113 0.872,114 -5.44,115 -5.32,116 -4.97,118 46.8,120 1,124 3,135 9,136 3,137 1,139 2,143 1,152 1,153 1,159 10,161 2,162 8,164 2,166 11,169 4,173 5,175 4,176 7,178 1,179 2,180 3,184 5,186 1,187 5,191 6,193 1,194 1,195 7,198 9,201 2,202 4,204 9,207 2,208 3,211 4,214 2,215 4,216 1198,217 19.309,218 19.309,219 19.309,220 19.309,221 19.309,222 16.642,223 16.379,224 11.37,225 19.71,226 15.848,227 15.848,228 15.848,229 15.848,230 15.848,231 11.879,232 19.98,233 5.468,234 16.575,235 3.975,236 1.952,237 1.194,238 0.63,239 0.34,240 0.34,241 4.09,245 1,246 1,247 671,248 2.449,251 47.506,252 272.761,254 85.178,255 96.219,258 1.714,259 28.548,261 1,262 0.75,263 1,264 1,265 0.6,266 0.5,267 1,268 1,269 0.84,270 60.5,271 300,272 4.714,273 3.429,274 6.864,275 4.234,276 3.29,277 4.679,278 0.995,279 11.477,280 3.11,281 4.285,282 3.176,283 6.424,284 3.905,285 2.935,286 3.916,287 0.359,288 9.861,289 2.845,290 3.953,291 2.977,292 5.966,293 3.626,294 2.675,295 3.46,297 8.363,298 2.565,299 3.836,300 2.68,301 5.534,302 3.42,303 2.455,304 3.317,306 7.478,307 2.343,308 3.562,309 2.415,310 5.317,311 3.085,312 2.166,313 2.978,315 6.488,316 1.986,317 3.249,318 2.267,319 4.996,320 2.975,321 2.04,322 2.466,324 5.919,325 1.896,326 3.197,327 2.076,328 4.97,329 2.783,330 1.824,331 2.345,333 5.402,334 1.744,335 2.861,336 1.607,337 4.018,338 2.41,339 1.416,340 2.016,342 3.204,343 1.405,344 2.827,345 1.516,346 3.811,347 2.381,348 1.414,349 1.942,350 3.043,351 1.353,352 2.568,353 1.422,354 3.758,355 2.156,356 1.183,357 1.597,358 2.949,359 1.147,360 2.5,361 1,362 3.59,363 2,364 1,365 1.5,366 2.43,367 1,368 2.22,369 0.977,370 3.576,371 1.881,372 0.914,373 1.133,374 2.195,375 0.881,376 2.1,377 0.85,378 3.247,379 1.656,380 0.743,381 1.013,382 2.136,383 0.677,384 1.423,385 0.489,386 2.975,387 1.18,388 0.236,389 0.268,390 0.607,391 0.221,392 1.106,393 0.307,394 2.717,395 0.738,396 -0.187,397 -0.229,398 -0.435,399 -0.167,400 13.219,401 0.472,402 0.657,403 0.023,404 39.5,405 1.411,406 20.5,407 0.732,408 19,409 0.679,410 20.927,411 0.747,412 28.781,413 0.612,414 28.848,415 1.03,416 7.89,417 0.282,418 5.797,419 0.207,420 0.047,422 0.363,423 1,424 0.735,425 1.152,426 0.702,427 0.988,428 0.655,429 0.871,430 0.641,431 0.963,432 0.813,433 0.914,434 0.519,435 0.894,436 0.89,437 1.211,438 0.948,439 1.138,440 0.782,441 1.067,442 0.959,443 0.911,444 0.971,445 0.932,446 0.923,447 0.944,448 1.026,449 0.99,450 1.025,451 0.992,452 0.991,453 0.998,454 1.008,455 0.815,456 1.051,457 0.887,458 0.887,459 0.95,460 0.711,461 1.069,462 0.878,463 1.11,464 0.706,465 1.05,466 1.387,467 0.962,468 1.13,469 0.898,470 1.432,471 0.947,472 5,473 0.103,474 2.889,475 1.91,476 1.797,477 0.855,478 0.735,479 0.388,480 0.272,481 0.173,482 10123,483 26479,484 2.2,485 40.4,487 15,488 1,490 1,491 2,494 1.713,495 2.1,496 3.392,497 -0.358,499 1,502 74.248,503 1.58,504 3.602,505 4.36,506 4.925,507 5.214,508 5.214,509 2.867,510 4.45,511 4.775,512 3.531,513 1334.87,514 8.319,515 17095.1,517 1,519 1,520 261.066,521 1.264,522 4.757,523 0.156,524 0.006,525 0.063,526 0.041,527 0.042,528 0.022,529 0.02,530 0.011,531 0.009,532 0.008,533 0.377,534 0.5,535 0.75,536 0.444,537 139.077,538 -0.053,539 -0.165,540 0.049,541 -0.032,542 -0.058,543 0.012,544 0.102,545 0.036,546 0.017,547 0.015,548 0.058,549 -0.001,550 -0.054,551 -0.226,552 -0.04,553 -0.179,554 0.002,555 -0.121,556 0.083,557 0.082,558 0.037,559 0.007,560 0.049,561 0.008,562 -0.055,563 -0.029,564 -0.045,565 -0.038,566 -0.086,567 -0.038,568 -0.106,569 0.059,570 -0.084,571 0.06,572 -0.074,573 0.012,574 0.226,575 -0.135,576 0.103,577 -0.117,578 0.258,579 -0.052,580 -0.139,581 0.076,582 -0.096,583 0.062,584 -0.158,585 0.007,586 2.002,587 6.212,588 0.893,589 27.27,590 1.007,591 1.125,592 4.213,593 17.751,594 0.692,595 3.497,596 3.85,597 4.174,598 4.5,599 4.787,600 4.934,601 5.153,602 5.357,603 5.505,604 5.609,605 6.265,606 0.668,607 374.45,608 3.497,609 5.056,610 5.932,611 6.832,612 7.727,613 8.636,614 9.541,615 10.455,616 11.367,617 12.286,618 8.5,619 1,624 1,626 2,631 1,632 10,633 2,637 7,639 22,647 1,649 1,650 47,652 22,653 2,654 32,656 51,657 22,658 18,659 3,660 9,663 5,664 8,670 1,672 1,674 18,675 4,685 1,686 1,687 19,688 5,689 1,690 6,692 1,694 4,696 0.6,697 1,703 1,708 1,709 4,711 1,712 1,724 1,728 3,734 1,735 28,738 1,739 4,744 1,754 1,755 2.1,757 1,762 13.333,763 8.476,764 6,765 2.822,766 4.003,767 1.486,768 1.031,769 4.251,770 12.239,771 3.784,772 4.446,773 5.093,774 5.741,775 6.323,776 6.704,777 7.184,778 7.672,779 8.037,780 8.407,781 1,782 47,783 10.396,784 4.6,785 7.762,786 19.865,787 16.909,788 2.262,789 63.333,792 1,793 211.88,794 129.092,795 37.982,797 42.683,798 14.96,800 129.092,801 254.563,802 52.942,804 8.852,805 94.334,806 77.97,807 28.602,808 26.731,809 200.109,811 211.88,812 167.074,813 57.643,816 226.84,817 42.683,819 20.491,820 113.011,821 33.571,823 226.84,824 80.665,825 129.092,827 211.88,828 34.758,829 98.744,831 91.215,832 211.88,833 95.625,834 129.092,835 0.586,836 0.348,837 0.196,838 0.11,839 25,840 10,841 0.059,842 3,843 2,844 1.16,845 4.005,846 260.494,847 0.16,848 25,849 130.606,852 17.207,853 6.918,854 3.156,855 0.638,856 94.339,857 18.504,858 9.027,862 3.56,864 42.683,865 436.597,866 43,873 47.316,874 52.864,876 0.284,877 0.649,878 0.785,879 0.887,880 0.939,881 0.939,882 5.027,883 1.416,884 5.922,885 5.402,886 4.533,887 5.133,888 1.114,889 6.765,890 4.441,891 6.249,892 1.414,893 7.494,894 3.204,895 4.111,896 4.956,897 0.325,898 7.695,899 3.942,900 7.568,901 1.183,902 9.167,903 3.043,904 6.151,905 7.401,906 0.897,907 10.845,908 5.967,909 8.926,910 1,911 10.901,912 2.949,913 6.567,914 8.094,915 0.504,916 12.625,917 6.305,918 10.318,919 0.914,920 12.674,921 2.43,922 8.066,923 9.994,924 0.792,925 15.289,926 7.787,927 11.735,928 0.743,929 14.475,930 2.195,931 8.876,932 11.112,933 0.585,934 17.427,935 8.523,936 13.173,937 0.236,938 16.296,939 2.136,940 10.16,941 12.788,942 0.735,943 19.929,944 9.78,945 3.29,946 -0.187,947 18.132,948 0.607,949 11.159,950 14.119,951 0.622,952 22.225,953 10.711,954 2.935,955 11.477,956 19.981,957 -0.435,958 12.361,959 15.702,960 0.703,961 24.671,962 11.874,963 2.675,964 9.861,965 21.84,966 4.679,967 13.45,968 17.139,969 0.639,970 27.038,971 12.899,972 2.455,973 8.363,974 23.707,975 3.916,976 14.624,977 18.687,978 0.683,979 29.468,980 14.026,981 2.166,982 7.478,983 25.581,984 3.46,985 15.756,986 20.175,987 0.646,988 31.867,989 15.096,990 2.04,991 6.488,992 27.461,993 3.317,994 16.924,995 21.712,996 0.67,997 34.294,998 16.211,999 1.824,1000 5.919,1001 29.346,1002 2.978,1003 18.077,1004 23.226,1005 0.648,1006 36.71,1007 17.305,1008 9320,1009 15243,1010 22.076,1011 32.506,1012 48.965,1013 49.121,1014 49.593,1015 48.696,1016 48.584,1017 65.262,1018 2.707,1019 143.098,1020 46.349,1021 5.659,1022 5.429,1023 6.666,1024 5.312,1025 5.29,1026 7.679,1027 1.754,1028 18.995,1029 5.11,1030 9.507,1031 1.53,1032 1.535,1033 1.55,1034 1.522,1035 1.518,1036 2.039,1037 0.085,1038 4.472,1039 1.448,1040 4.158,1041 4.203,1042 4.136,1043 4.008,1044 8.201,1045 4.033,1046 3.919,1047 3.955,1048 3.849,1049 3.85,1050 6.477,1051 3.845,1052 3.865,1053 3.896,1054 3.813,1055 3.782,1056 5.005,1057 3.786,1058 3.632,1059 3.696,1060 3.536,1061 3.459,1062 4.753,1063 3.471,1064 3.254,1065 3.317,1066 3.178,1067 3.074,1068 4.625,1069 3.084,1070 3.065,1071 3.127,1072 2.947,1073 2.919,1074 4.395,1075 2.902,1076 3.027,1077 3.089,1078 2.871,1079 2.843,1080 4.075,1081 2.86,1082 2.9,1083 2.957,1084 2.817,1085 2.735,1086 3.685,1087 2.735,1088 0.147,1089 0.107,1090 0.215,1091 0.132,1092 0.103,1093 4.714,1094 0.146,1095 3.429,1096 0.031,1097 6.864,1098 0.359,1099 4.234,1100 0.097,1101 3.29,1102 4.679,1103 0.995,1104 11.477,1105 3.11,1106 1.958,1107 1.918,1108 2.074,1109 2.123,1110 1.336,1111 2.103,1112 1.9,1113 1.877,1114 1.995,1115 1.991,1116 1.121,1117 1.995,1118 1.879,1119 1.846,1120 1.986,1121 1.978,1122 1.084,1123 1.985,1124 1.502,1125 1.438,1126 1.653,1127 1.742,1128 0.844,1129 1.726,1130 1.306,1131 1.258,1132 1.473,1133 1.466,1134 0.711,1135 1.461,1136 1.178,1137 1.106,1138 1.443,1139 1.387,1140 0.579,1141 1.419,1142 0.957,1143 0.894,1144 1.237,1145 1.18,1146 0.385,1147 1.205,1148 0.886,1149 0.821,1150 1.181,1151 1.068,1152 0.218,1153 1.107,1154 4.174,1156 5.517,1157 2.398,1158 7.064,1159 4.727,1160 8.705,1161 6.88,1162 10.397,1166 14.212,1168 10.362,1169 3.141,1174 2.341,1179 31.398,1180 74.248,1181 169.317,1182 204.927,1183 231.456,1184 245.066,1185 245.066,1186 42.966,1187 8.236,1188 53.66,1189 53.66,1190 29,1191 12.797,1192 4.524,1193 3.585,1194 37.58,1195 104,1196 112,1197 0.177,1198 187.933,1199 316.22,1200 450.316,1201 44520,1202 2.1,1203 19.087,1204 0.682,1205 0.543,1206 18.217,1207 15.216,1208 13.687,1209 0.428,1210 0.291,1211 9.173,1212 13.201,1213 9.009,1214 7.407,1215 13.276,1216 9.298,1217 12.541,1218 0.273,1219 0.154,1220 12.013,1221 7.083,1222 10.987,1223 0.172,1224 0.082,1225 10.52,1226 5.22,1227 9.623,1228 0.108,1229 0.043,1230 9.219,1231 3.827,1232 8.126,1233 0.068,1234 0.023,1235 7.931,1236 2.769,1237 0.274,1238 85.53,1239 0.213,1240 26.487,1241 0.499,1242 156,1243 468.841,1244 171.204,1245 435.166,1246 601.08,1247 408,1248 188,1249 451.983,1250 204.337,1251 453.871,1252 672.57,1253 428,1254 7.131}
{0 CHEMBL356806,1 1.739,2 10.833,3 3.772,4 14.231,5 104.805,6 8.835,7 0.647,8 3.98,9 4.077,10 3.686,11 3.546,12 5.23,13 3.568,14 4.496,15 4.634,16 4.101,17 3.954,18 5.783,19 3.965,20 4.759,21 4.93,22 4.193,23 4.07,24 6.039,25 4.076,26 4.821,27 5.005,28 4.163,29 4.004,30 6.184,31 4.017,32 4.727,33 4.909,34 4.051,35 3.95,36 6.079,37 3.942,38 4.694,39 4.888,40 3.985,41 3.945,42 5.927,43 3.915,44 4.674,45 4.871,46 3.991,47 3.876,48 6.06,49 3.864,50 4.563,51 4.769,52 3.809,53 3.725,54 5.916,55 3.713,56 0.153,57 0.835,58 6.272,59 3.93,60 19.07,61 4.078,62 0.41,63 1.378,64 12.586,65 6.455,66 24.76,67 7.177,68 0.541,69 1.723,70 19.777,71 8.791,72 65.292,73 9.681,74 0.895,75 1.735,76 23.416,77 8.684,78 112.527,79 9.035,80 0.851,81 1.56,82 21.073,83 8.12,84 112.672,85 8.841,86 0.682,87 1.428,88 21.052,89 8.375,90 76.476,91 9.907,92 0.737,93 1.545,94 21.354,95 8.661,96 106.192,97 9.897,98 0.76,99 1.372,100 19.848,101 7.143,102 103.641,103 7.798,104 17,105 50,106 0.292,107 0.65,108 0.779,109 0.874,110 0.906,111 0.906,112 3.441,113 0.83,114 -5.38,115 -5.26,116 -4.92,118 47.8,120 1,124 2,135 8,136 3,137 2,139 2,143 1,149 1,152 1,153 1,159 8,161 3,162 9,164 2,166 9,169 6,173 4,175 4,176 9,178 1,179 2,180 3,184 6,186 1,187 5,190 3,191 6,193 1,194 1,195 5,198 9,201 2,202 4,204 7,206 1,207 2,208 3,211 5,214 2,215 4,216 1438,217 20.309,218 20.309,219 20.309,220 20.309,221 20.309,222 17.55,223 15.916,224 11.679,225 20.755,226 16.776,227 16.776,228 16.776,229 16.776,230 16.776,231 12.546,232 15.69,233 5.558,234 17.572,235 3.785,236 1.653,237 0.886,238 0.321,239 0.13,240 0.13,241 4.149,245 1,246 1,247 719,248 2.915,251 53.042,252 298.97,254 94.431,255 105.402,258 1.711,259 49.397,262 1,263 1,264 1,265 0.4,267 1,268 1,269 0.77,270 67,271 325,272 4.716,273 3.717,274 6.869,275 4.241,276 3.296,277 4.679,278 1.23,279 11.49,280 3.122,281 4.306,282 3.384,283 6.446,284 3.977,285 3.001,286 3.918,287 0.521,288 9.937,289 2.927,290 4.25,291 3.155,292 6.377,293 3.862,294 2.888,295 3.815,297 9.645,298 2.811,299 3.87,300 2.898,301 5.931,302 3.469,303 2.527,304 3.329,306 8.178,307 2.367,308 3.671,309 2.742,310 5.336,311 3.254,312 2.305,313 3.023,315 6.723,316 2.173,317 3.555,318 2.413,319 5.317,320 3.067,321 2.155,322 2.962,324 6.475,325 1.958,326 3.202,327 2.135,328 4.97,329 2.791,330 1.833,331 2.465,333 5.402,334 1.752,335 3.074,336 2.075,337 4.81,338 2.742,339 1.8,340 2.214,342 5.236,343 1.682,344 2.861,345 1.877,346 4.021,347 2.381,348 1.414,349 2.016,350 3.204,351 1.353,352 2.675,353 1.606,354 3.822,355 2.213,356 1.225,357 1.743,358 2.949,359 1.204,360 2.568,361 1.422,362 3.785,363 2.155,364 1.181,365 1.597,366 2.715,367 1.146,368 2.344,369 1.192,370 3.651,371 1.898,372 0.923,373 1.201,374 2.432,375 0.895,376 2.181,377 0.977,378 3.576,379 1.802,380 0.791,381 1.04,382 2.254,383 0.79,384 2.1,385 0.848,386 3.446,387 1.64,388 0.713,389 0.992,390 1.906,391 0.659,392 1.237,393 0.347,394 2.834,395 0.898,396 -0.038,397 -0.046,398 -0.095,399 -0.035,400 13.838,401 0.461,402 0.836,403 0.028,404 42.5,405 1.417,406 22,407 0.733,408 20.5,409 0.683,410 22.469,411 0.749,412 31.162,413 0.677,414 34.218,415 1.141,416 8.579,417 0.286,418 5.929,419 0.198,420 0.089,422 0.419,423 2,424 0.651,425 1.051,426 0.614,427 0.967,428 0.582,429 0.833,430 0.572,431 0.937,432 0.704,433 0.922,434 0.526,435 0.876,436 0.94,437 1.138,438 0.907,439 1.095,440 0.859,441 1.009,442 1.169,443 0.896,444 1.105,445 0.934,446 1.196,447 0.972,448 0.988,449 0.889,450 1.09,451 0.989,452 0.996,453 1.044,454 0.757,455 0.796,456 0.94,457 0.918,458 0.743,459 0.975,460 0.981,461 1.09,462 0.946,463 1.077,464 0.978,465 1.023,466 1.195,467 0.992,468 1.146,469 0.911,470 1.154,471 0.969,472 6,473 0.169,474 4,475 2.472,476 2.068,477 1.202,478 0.822,479 0.504,480 0.366,481 0.258,482 11741,483 38232,484 2.145,485 34.8,487 12,488 1,490 1,491 2,494 1.731,495 2,496 3.431,497 -0.316,499 1,502 79.976,503 1.739,504 3.871,505 4.638,506 5.203,507 5.393,508 5.393,509 2.896,510 4.774,511 4.877,512 3.572,513 1553.79,514 8.524,515 20833.1,517 1,519 1,520 254.084,521 1.429,522 4.837,523 0.176,524 0.008,525 0.08,526 0.047,527 0.042,528 0.027,529 0.02,530 0.012,531 0.011,532 0.009,533 0.432,534 0.33,535 0.88,536 0.551,537 152.186,538 -0.063,539 -0.141,540 0.027,541 -0.032,542 -0.055,543 0.01,544 0.082,545 -0.011,546 0.04,547 -0.005,548 0.043,549 -0.006,550 -0.106,551 -0.179,552 -0.021,553 -0.142,554 -0.048,555 -0.071,556 -0.126,557 0.041,558 -0.136,559 -0.018,560 -0.132,561 -0.065,562 -0.028,563 0.028,564 -0.14,565 -0.051,566 -0.036,567 -0.109,568 0.024,569 -0.012,570 0.016,571 0.037,572 -0.005,573 0.023,574 0.035,575 -0.086,576 0.07,577 -0.076,578 0.04,579 -0.014,580 -0.105,581 0.036,582 -0.108,583 0.056,584 -0.088,585 0.006,586 2.143,587 6.221,588 0.833,589 29.262,590 1.028,591 1.13,592 4.15,593 17.22,594 0.699,595 3.555,596 3.932,597 4.263,598 4.575,599 4.86,600 5.024,601 5.231,602 5.429,603 5.587,604 5.707,605 6.463,606 0.695,607 406.42,608 3.555,609 5.13,610 6.014,611 6.921,612 7.822,613 8.735,614 9.645,615 10.563,616 11.477,617 12.398,618 8.7,623 1,624 1,626 2,631 1,632 9,633 2,637 8,639 22,642 1,647 1,649 2,650 46,652 23,653 2,654 34,656 50,657 22,658 18,659 4,660 8,661 1,663 5,664 8,670 1,672 1,674 19,675 3,677 1,680 1,683 1,685 1,686 2,687 16,688 7,689 1,690 8,692 1,694 4,696 0.6,697 2,703 1,708 1,709 4,711 1,712 1,728 3,734 2,735 30,738 1,739 3,744 1,754 2,755 4.3,757 1,758 1,762 15,763 8.452,764 6.389,765 2.731,766 4.031,767 1.481,768 1.028,769 4.485,770 12.407,771 3.85,772 4.525,773 5.178,774 5.809,775 6.39,776 6.783,777 7.252,778 7.72,779 8.097,780 8.479,781 1,782 53,783 11.209,784 5.112,785 8.106,786 20.622,787 17.509,788 2.606,789 78.167,792 1,793 176.567,794 131.336,795 37.982,797 67.828,798 29.92,800 131.336,801 244.395,802 67.902,804 9.87,805 84.857,806 107.819,807 34.599,808 41.691,809 164.795,811 176.567,812 169.317,813 97.748,816 206.487,817 67.828,819 18.386,820 117.361,821 33.571,823 206.487,824 105.81,825 131.336,827 176.567,828 46.478,829 89.268,831 131.32,832 176.567,833 135.73,834 131.336,835 0.595,836 0.358,837 0.196,838 0.109,839 27,840 12,841 0.04,842 2,843 2,844 1.16,845 4.065,846 289.076,847 0.16,848 25,849 147.207,852 18.712,853 7.19,854 3.25,855 0.41,856 134.444,857 13.303,858 8.762,862 1.075,864 42.683,865 443.632,866 46,869 12.849,872 -0.299,873 47.272,874 51.998,876 0.315,877 0.701,878 0.84,879 0.942,880 0.976,881 0.976,882 5.109,883 1.8,884 6.023,885 5.402,886 4.615,887 5.212,888 1.487,889 6.889,890 4.524,891 6.348,892 1.414,893 7.617,894 5.236,895 4.29,896 5.121,897 0.325,898 7.865,899 4.13,900 7.681,901 1.225,902 9.31,903 3.204,904 6.263,905 7.494,906 1.615,907 11.006,908 6.089,909 9.05,910 1.181,911 11.059,912 2.949,913 6.746,914 8.232,915 0.74,916 12.797,917 6.509,918 10.451,919 0.923,920 12.845,921 2.715,922 8.207,923 10.089,924 1.853,925 15.459,926 7.95,927 11.875,928 0.791,929 14.655,930 2.432,931 9.054,932 11.222,933 1.168,934 17.591,935 8.741,936 13.318,937 0.713,938 16.483,939 2.254,940 10.319,941 12.873,942 2.14,943 20.087,944 9.978,945 3.296,946 -0.038,947 18.324,948 1.906,949 11.335,950 14.204,951 1.605,952 22.37,953 10.941,954 3.001,955 11.49,956 20.176,957 -0.095,958 12.527,959 15.772,960 2.456,961 24.808,962 12.095,963 2.888,964 9.937,965 22.037,966 4.679,967 13.621,968 17.204,969 2.049,970 27.162,971 13.137,972 2.527,973 9.645,974 23.904,975 3.918,976 14.788,977 18.741,978 2.793,979 29.582,980 14.261,981 2.305,982 8.178,983 25.777,984 3.815,985 15.919,986 20.223,987 2.494,988 31.971,989 15.339,990 2.155,991 6.723,992 27.655,993 3.329,994 17.081,995 21.753,996 3.145,997 34.389,998 16.452,999 1.833,1000 6.475,1001 29.537,1002 3.023,1003 18.231,1004 23.261,1005 2.938,1006 36.796,1007 17.549,1008 10932,1009 19855,1010 22.887,1011 32.137,1012 52.863,1013 53.831,1014 54.363,1015 52.305,1016 52.101,1017 69.989,1018 3.503,1019 157.091,1020 49.682,1021 5.661,1022 5.717,1023 6.553,1024 5.32,1025 5.296,1026 7.679,1027 2.335,1028 19.012,1029 5.122,1030 14.191,1031 1.555,1032 1.583,1033 1.599,1034 1.538,1035 1.532,1036 2.059,1037 0.103,1038 4.62,1039 1.461,1040 4.159,1041 4.203,1042 4.138,1043 4.008,1044 8.203,1045 4.033,1046 3.932,1047 3.958,1048 3.889,1049 3.848,1050 8.2,1051 3.852,1052 3.867,1053 3.897,1054 3.82,1055 3.782,1056 7.427,1057 3.787,1058 3.637,1059 3.697,1060 3.555,1061 3.458,1062 6.477,1063 3.474,1064 3.275,1065 3.313,1066 3.235,1067 3.07,1068 5.003,1069 3.105,1070 3.084,1071 3.126,1072 3.028,1073 2.919,1074 4.625,1075 2.908,1076 3.032,1077 3.087,1078 2.871,1079 2.842,1080 4.608,1081 2.866,1082 2.9,1083 2.957,1084 2.817,1085 2.733,1086 4.387,1087 2.735,1088 0.139,1089 0.109,1090 0.202,1091 0.125,1092 0.097,1093 4.716,1094 0.138,1095 3.717,1096 0.036,1097 6.869,1098 0.338,1099 4.241,1100 0.092,1101 3.296,1102 4.679,1103 1.23,1104 11.49,1105 3.122,1106 1.95,1107 1.915,1108 2.042,1109 2.121,1110 1.307,1111 2.095,1112 1.9,1113 1.877,1114 1.995,1115 1.99,1116 1.084,1117 1.99,1118 1.87,1119 1.842,1120 1.964,1121 1.977,1122 1.054,1123 1.973,1124 1.495,1125 1.436,1126 1.64,1127 1.74,1128 0.841,1129 1.717,1130 1.301,1131 1.256,1132 1.457,1133 1.465,1134 0.644,1135 1.458,1136 1.142,1137 1.095,1138 1.351,1139 1.373,1140 0.464,1141 1.373,1142 0.941,1143 0.89,1144 1.167,1145 1.168,1146 0.24,1147 1.161,1148 0.861,1149 0.804,1150 1.12,1151 1.068,1152 0.177,1153 1.079,1154 4.234,1156 5.595,1157 2.398,1158 7.155,1159 4.727,1160 8.808,1161 6.88,1162 10.508,1166 27.751,1168 10.336,1169 1.003,1174 1.591,1179 31.969,1180 79.976,1181 178.045,1182 213.329,1183 239.329,1184 248.084,1185 248.084,1186 65.383,1187 8.376,1188 70.73,1189 70.73,1190 29,1191 12.908,1192 4.585,1193 3.7,1194 41.49,1195 115,1196 112,1197 0.176,1198 190.2,1199 328.44,1200 455.847,1201 52251,1202 4.3,1203 20.828,1204 0.694,1205 0.524,1206 19.087,1207 15.718,1208 14.508,1209 0.427,1210 0.277,1211 9.244,1212 13.845,1213 9.123,1214 7.458,1215 13.704,1216 9.406,1217 13.586,1218 0.272,1219 0.142,1220 12.425,1221 7.124,1222 11.991,1223 0.171,1224 0.075,1225 11.197,1226 5.251,1227 10.279,1228 0.107,1229 0.039,1230 9.576,1231 3.772,1232 8.571,1233 0.067,1234 0.021,1235 8.127,1236 2.664,1237 0.273,1238 91.864,1239 0.209,1240 27.942,1241 0.497,1242 168,1243 622.688,1244 189.582,1245 550.643,1246 739.49,1247 512,1248 204,1249 541.657,1250 225.74,1251 534.47,1252 793.16,1253 504,1254 7.42}
{0 CHEMBL358874,1 1.693,2 10.037,3 2.542,4 6.463,5 97.34,6 8.282,7 0.677,8 3.941,9 4.06,10 3.603,11 3.455,12 5.11,13 3.475,14 4.469,15 4.637,16 3.998,17 3.876,18 5.629,19 3.877,20 4.685,21 4.881,22 4.013,23 3.982,24 5.793,25 3.952,26 4.767,27 4.993,28 4.006,29 3.946,30 5.923,31 3.911,32 4.688,33 4.913,34 3.888,35 3.882,36 5.749,37 3.843,38 4.625,39 4.842,40 3.808,41 3.834,42 5.711,43 3.794,44 4.562,45 4.783,46 3.815,47 3.745,48 5.829,49 3.702,50 4.432,51 4.654,52 3.623,53 3.572,54 5.62,55 3.539,56 0.105,57 0.804,58 7.491,59 3.483,60 10.758,61 4.166,62 0.364,63 1.3,64 14.859,65 5.771,66 21.384,67 7.302,68 0.357,69 1.523,70 20.395,71 7.833,72 34.863,73 9.992,74 0.643,75 1.567,76 24.839,77 8.299,78 61.878,79 10.874,80 0.521,81 1.419,82 22.91,83 7.48,84 49.794,85 9.862,86 0.504,87 1.29,88 20.979,89 6.716,90 43.247,91 8.677,92 0.535,93 1.259,94 20.255,95 7.291,96 65.948,97 9.696,98 0.521,99 1.113,100 18.29,101 5.956,102 52.343,103 7.404,104 5,105 45,106 0.288,107 0.688,108 0.837,109 0.891,110 0.899,111 0.899,112 3.341,113 0.845,114 -4.14,115 -4.08,116 -3.86,118 43.2,120 1,124 3,135 4,136 2,137 1,139 3,143 2,151 1,152 1,153 1,159 4,161 2,162 7,164 3,166 5,168 1,169 2,173 2,175 4,176 5,178 2,179 2,180 1,184 6,186 1,187 1,191 3,193 1,194 3,195 3,197 3,198 3,201 2,202 2,204 3,206 3,207 1,208 2,211 2,213 1,215 1,216 1080,217 18.602,218 18.602,219 18.602,220 18.602,221 18.602,222 16.064,223 16.379,224 10.87,225 19.139,226 15.348,227 15.348,228 15.348,229 15.348,230 15.348,231 11.545,232 19.98,233 5.218,234 16.279,235 3.766,236 1.418,237 0.545,238 0.227,239 0.182,240 0.182,241 4.054,244 1,245 1,246 1,247 609,248 2.449,251 110.428,252 182.753,254 80.853,255 91.953,258 1.599,259 30.923,261 1,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 59.5,271 271,272 4.714,273 3.429,274 6.864,275 4.234,276 3.29,277 4.679,278 0.995,279 11.477,280 3.11,281 4.285,282 3.177,283 6.424,284 3.905,285 2.935,286 3.916,287 0.359,288 9.861,289 2.845,290 3.969,291 2.981,292 5.966,293 3.616,294 2.682,295 3.492,297 8.364,298 2.503,299 3.842,300 2.687,301 5.54,302 3.41,303 2.465,304 3.318,306 7.492,307 2.32,308 3.562,309 2.416,310 5.317,311 3.082,312 2.167,313 2.978,315 6.488,316 1.978,317 3.236,318 2.275,319 5.005,320 2.961,321 2.042,322 2.466,324 5.942,325 1.871,326 3.195,327 2.076,328 4.97,329 2.782,330 1.824,331 2.298,333 5.402,334 1.743,335 2.861,336 1.607,337 4.018,338 2.381,339 1.414,340 2.016,342 3.204,343 1.353,344 2.569,345 1.425,346 3.811,347 2.16,348 1.192,349 1.599,350 2.949,351 1.151,352 2.557,353 1.314,354 3.758,355 2.087,356 1.159,357 1.578,358 2.587,359 1.073,360 2.218,361 0.977,362 3.576,363 1.878,364 0.913,365 1.13,366 2.428,367 0.879,368 2.118,369 0.849,370 3.433,371 1.654,372 0.742,373 1.013,374 2.182,375 0.676,376 2.1,377 0.618,378 3,379 1.532,380 0.618,381 0.927,382 1.372,383 0.564,384 1.376,385 0.419,386 2.908,387 1.109,388 0.179,389 0.206,390 0.461,391 0.166,392 1.093,393 0.303,394 2.66,395 0.7,396 -0.207,397 -0.255,398 -0.469,399 -0.181,400 12.519,401 0.464,402 0.657,403 0.024,404 38,405 1.407,406 18.5,407 0.685,408 19.5,409 0.722,410 19.918,411 0.738,412 28.281,413 0.643,414 27.4,415 1.015,416 7.581,417 0.281,418 5.606,419 0.208,420 0.049,422 0.383,423 1,424 0.804,425 1.29,426 0.68,427 1.044,428 0.66,429 0.874,430 0.694,431 0.96,432 0.791,433 0.874,434 0.532,435 0.848,436 0.916,437 1.162,438 0.965,439 1.136,440 0.821,441 1.072,442 0.946,443 0.904,444 0.971,445 0.959,446 0.949,447 0.968,448 1.06,449 0.983,450 1.03,451 0.97,452 1.03,453 0.979,454 1.116,455 0.869,456 1.133,457 0.91,458 0.956,459 0.988,460 0.718,461 0.993,462 0.841,463 1.078,464 0.73,465 1.017,466 1.328,467 0.994,468 1.116,469 0.977,470 1.513,471 1.005,472 5,473 0.087,474 2.889,475 1.944,476 1.681,477 0.897,478 0.696,479 0.353,480 0.262,481 0.143,482 9129,483 26009,484 2.208,485 38.6,487 10,488 2,489 1,490 2,491 2,494 1.704,495 2.104,496 3.311,497 0.304,498 1,499 1,502 74.508,503 1.693,504 4.041,505 4.914,506 5.232,507 5.278,508 5.278,509 2.742,510 4.459,511 4.723,512 3.462,513 1215.29,514 8.217,515 15085.8,517 1,519 1,520 240.215,521 1.28,522 4.703,523 0.161,524 0.007,525 0.064,526 0.044,527 0.04,528 0.024,529 0.02,530 0.01,531 0.009,532 0.007,533 0.387,534 0.5,535 0.88,536 0.454,537 132.053,538 -0.103,539 -0.252,540 0.043,541 -0.068,542 -0.06,543 0.002,544 0.058,545 0.058,546 0.022,547 0.063,548 0.053,549 0.04,550 -0.083,551 -0.169,552 -0.068,553 -0.155,554 -0.018,555 -0.114,556 0.057,557 0.076,558 0.018,559 -0.005,560 0.032,561 -0.007,562 -0.108,563 -0.036,564 -0.052,565 -0.01,566 -0.116,567 -0.01,568 -0.194,569 0.012,570 -0.18,571 0.025,572 -0.121,573 -0.045,574 0.257,575 -0.051,576 0.154,577 -0.083,578 0.277,579 -0.014,580 -0.079,581 0.044,582 -0.088,583 -0.01,584 -0.172,585 -0.052,586 2.012,587 6.172,588 0.889,589 25.111,590 1.017,591 1.137,592 2.905,593 8.441,594 0.682,595 3.466,596 3.829,597 4.159,598 4.489,599 4.736,600 4.92,601 5.142,602 5.338,603 5.489,604 5.587,605 6.012,606 0.668,607 364.42,608 3.466,609 5.03,610 5.911,611 6.815,612 7.713,613 8.624,614 9.532,615 10.448,616 11.362,617 12.281,618 13.6,619 1,624 2,626 3,631 1,632 7,633 3,634 1,637 7,639 21,647 1,649 1,650 44,652 21,653 1,654 31,656 48,657 19,658 15,659 2,660 4,663 5,664 8,670 1,672 1,674 15,675 4,684 1,685 1,686 1,687 17,688 6,689 2,690 8,692 2,694 6,696 0.6,697 1,703 1,708 2,709 3,711 1,712 1,724 1,728 3,734 1,735 27,738 1,739 4,744 1,754 1,755 2.3,757 1,762 12.833,763 7.926,764 5.75,765 2.577,766 3.754,767 1.462,768 1.039,769 3.921,770 11.887,771 3.75,772 4.419,773 5.072,774 5.725,775 6.238,776 6.685,777 7.173,778 7.658,779 8.027,780 8.393,781 0.857,782 44,783 10.009,784 4.455,785 7.827,786 18.953,787 16.111,788 2.327,789 62.833,792 1,793 176.567,794 98.948,795 71.553,797 42.683,798 14.96,800 98.948,801 219.25,802 86.513,804 8.852,805 56,806 115.145,807 44.959,808 38.502,809 141.253,811 176.567,812 170.501,813 57.643,816 191.527,817 42.683,819 48.652,820 71.492,821 50.357,823 191.527,824 114.236,825 98.948,827 176.567,828 34.329,829 69.029,830 16.786,831 108,832 176.567,833 129.196,834 98.948,835 0.589,836 0.351,837 0.198,838 0.104,839 25,840 10,841 0.063,842 3,843 2,844 1.167,845 3.92,846 249.668,847 0.167,848 24,849 128.382,852 16.423,853 6.446,854 2.891,855 0.613,856 111.124,857 11.663,858 13.244,859 2.967,862 3.168,864 59.469,865 404.711,866 41.5,873 44.752,874 50.03,876 0.31,877 0.74,878 0.9,879 0.958,880 0.967,881 0.967,882 4.999,883 1.414,884 5.905,885 5.402,886 4.511,887 5.106,888 1.114,889 6.756,890 4.396,891 6.224,892 1.192,893 7.483,894 3.204,895 4.111,896 4.956,897 0.325,898 7.695,899 3.93,900 7.548,901 1.159,902 9.16,903 2.949,904 6.138,905 7.382,906 0.897,907 10.843,908 5.919,909 8.911,910 0.913,911 10.896,912 2.587,913 6.581,914 8.117,915 0.504,916 12.627,917 6.298,918 10.308,919 0.742,920 12.672,921 2.428,922 8.059,923 9.982,924 0.792,925 15.289,926 7.742,927 11.729,928 0.618,929 14.474,930 2.182,931 8.887,932 11.132,933 0.585,934 17.428,935 8.51,936 13.171,937 0.179,938 16.296,939 1.372,940 10.158,941 12.781,942 0.735,943 19.929,944 9.742,945 3.29,946 -0.207,947 18.133,948 0.461,949 11.167,950 14.132,951 0.622,952 22.226,953 10.693,954 2.935,955 11.477,956 19.982,957 -0.469,958 12.362,959 15.699,960 0.703,961 24.671,962 11.844,963 2.682,964 9.861,965 21.841,966 4.679,967 13.455,968 17.146,969 0.639,970 27.038,971 12.88,972 2.465,973 8.364,974 23.708,975 3.916,976 14.626,977 18.686,978 0.683,979 29.468,980 14.002,981 2.167,982 7.492,983 25.582,984 3.492,985 15.759,986 20.18,987 0.646,988 31.868,989 15.079,990 2.042,991 6.488,992 27.462,993 3.318,994 16.926,995 21.713,996 0.67,997 34.294,998 16.193,999 1.824,1000 5.942,1001 29.347,1002 2.978,1003 18.08,1004 23.228,1005 0.648,1006 36.71,1007 17.29,1008 8381,1009 14285,1010 21.383,1011 29.995,1012 47.718,1013 47.674,1014 47.889,1015 47.301,1016 47.244,1017 63.232,1018 2.707,1019 140.414,1020 44.461,1021 5.659,1022 5.429,1023 6.549,1024 5.314,1025 5.29,1026 7.679,1027 1.754,1028 18.995,1029 5.11,1030 9.242,1031 1.539,1032 1.538,1033 1.545,1034 1.526,1035 1.524,1036 2.04,1037 0.087,1038 4.529,1039 1.434,1040 4.158,1041 4.204,1042 4.136,1043 4.005,1044 8.201,1045 4.031,1046 3.916,1047 3.98,1048 3.857,1049 3.796,1050 6.477,1051 3.801,1052 3.863,1053 3.898,1054 3.814,1055 3.693,1056 5.016,1057 3.721,1058 3.626,1059 3.696,1060 3.532,1061 3.441,1062 4.976,1063 3.455,1064 3.234,1065 3.301,1066 3.166,1067 3.007,1068 4.625,1069 3.035,1070 3.047,1071 3.12,1072 2.886,1073 2.911,1074 4.396,1075 2.891,1076 2.993,1077 3.053,1078 2.871,1079 2.761,1080 4.065,1081 2.783,1082 2.9,1083 2.957,1084 2.816,1085 2.733,1086 3.64,1087 2.734,1088 0.152,1089 0.111,1090 0.221,1091 0.137,1092 0.106,1093 4.714,1094 0.151,1095 3.429,1096 0.032,1097 6.864,1098 0.37,1099 4.234,1100 0.1,1101 3.29,1102 4.679,1103 0.995,1104 11.477,1105 3.11,1106 1.937,1107 1.894,1108 2.037,1109 2.117,1110 1.327,1111 2.092,1112 1.899,1113 1.876,1114 1.995,1115 1.986,1116 1.084,1117 1.989,1118 1.593,1119 1.535,1120 1.726,1121 1.82,1122 0.912,1123 1.798,1124 1.429,1125 1.368,1126 1.61,1127 1.701,1128 0.825,1129 1.678,1130 1.339,1131 1.263,1132 1.523,1133 1.568,1134 0.618,1135 1.564,1136 1.277,1137 1.214,1138 1.454,1139 1.455,1140 0.489,1141 1.456,1142 1.03,1143 0.955,1144 1.284,1145 1.275,1146 0.392,1147 1.289,1148 0.861,1149 0.805,1150 1.122,1151 1.068,1152 0.184,1153 1.08,1154 4.143,1156 5.493,1157 3.045,1158 7.036,1159 5.283,1160 8.674,1161 7.31,1162 10.366,1166 14.172,1168 10.32,1169 2.901,1174 2.259,1179 29.387,1180 74.508,1181 177.809,1182 216.215,1183 230.215,1184 232.215,1185 232.215,1186 41.03,1187 8.133,1188 82.34,1189 82.34,1190 28,1191 12.792,1192 4.459,1193 3.524,1194 35.659,1195 96,1196 95,1197 0.182,1198 175.672,1199 288.96,1200 420.399,1201 38556,1202 2.3,1203 18.38,1204 0.681,1205 0.534,1206 17.51,1207 14.431,1208 13.187,1209 0.425,1210 0.282,1211 8.574,1212 12.56,1213 8.454,1214 6.927,1215 12.776,1216 8.736,1217 12.187,1218 0.271,1219 0.148,1220 11.659,1221 6.658,1222 10.737,1223 0.17,1224 0.078,1225 10.27,1226 4.911,1227 9.446,1228 0.107,1229 0.041,1230 9.042,1231 3.592,1232 7.514,1233 0.066,1234 0.022,1235 7.319,1236 2.493,1237 0.281,1238 83.484,1239 0.216,1240 25.611,1241 0.518,1242 152,1243 488.819,1244 170.367,1245 450.317,1246 620.08,1247 422,1248 184,1249 467.138,1250 203.557,1251 466.212,1252 690.22,1253 439,1254 6.358}
{0 CHEMBL363211,1 1.684,2 9.296,3 2.732,4 7.466,5 101.565,6 7.839,7 0.667,8 3.992,9 4.12,10 3.615,11 3.411,12 5.16,13 3.435,14 4.516,15 4.712,16 4.004,17 3.788,18 5.596,19 3.816,20 4.633,21 4.803,22 3.99,23 3.913,24 5.733,25 3.895,26 4.864,27 5.109,28 4.059,29 3.951,30 5.897,31 3.921,32 4.77,33 4.98,34 3.964,35 3.86,36 5.855,37 3.859,38 4.66,39 4.871,40 3.916,41 3.889,42 5.697,43 3.851,44 4.766,45 5.017,46 3.877,47 3.877,48 5.755,49 3.829,50 4.679,51 4.901,52 3.799,53 3.844,54 5.749,55 3.798,56 0.175,57 0.768,58 9.208,59 3.665,60 11.354,61 4.977,62 0.402,63 1.156,64 18.817,65 5.501,66 24.943,67 8.194,68 0.526,69 1.281,70 19.882,71 6.624,72 29.251,73 9.252,74 0.632,75 1.378,76 29.33,77 7.964,78 45.726,79 12.628,80 0.917,81 1.253,82 26.662,83 6.025,84 53.296,85 8.896,86 0.433,87 1.273,88 21.581,89 6.615,90 31.109,91 10.003,92 0.624,93 1.3,94 26.54,95 6.543,96 43.69,97 10.809,98 0.546,99 1.244,100 22.334,101 5.718,102 36.844,103 8.822,104 27,105 45,106 0.285,107 0.641,108 0.779,109 0.779,110 0.779,111 0.779,112 3.341,113 0.849,114 -5.06,115 -4.96,116 -4.65,118 36.2,119 4,122 1,123 1,124 1,135 1,136 1,138 1,139 1,140 1,141 1,144 2,152 2,157 4,159 4,161 4,162 6,166 7,168 7,169 7,175 6,176 13,183 6,184 9,187 1,190 4,191 11,195 1,197 2,198 11,202 4,203 4,204 7,208 1,210 4,211 2,215 3,216 1057,217 17.764,218 17.764,219 17.764,220 17.764,221 17.764,222 15.395,223 15.879,224 10.145,225 18.23,226 14.819,227 14.819,228 14.819,229 14.819,230 14.819,231 11.206,232 16.532,233 4.806,234 15.589,235 3.871,236 1.766,237 0.953,238 0.953,239 0.953,240 0.953,241 4.029,244 1,245 1,246 1,247 544,248 3.536,251 190.748,252 71.313,254 106.573,258 1.462,259 23.486,261 1,262 1,263 0.83,264 1,265 0.8,266 0.5,267 1,268 1,269 0.88,270 60,271 251,272 4.814,273 3.71,274 7.45,275 4.487,276 3.508,277 4.719,278 1.151,279 13.207,280 3.442,281 4.33,282 3.091,283 6.649,284 4.002,285 3.04,286 3.881,288 10.596,289 2.918,290 4.187,291 3.054,292 6.037,293 3.748,294 2.82,295 3.813,297 8.601,298 2.614,299 3.952,300 2.727,301 5.911,302 3.587,303 2.612,304 3.376,306 8.244,307 2.543,308 3.53,309 2.509,310 5.392,311 3.176,312 2.23,313 2.753,315 6.696,316 2.114,317 3.319,318 2.122,319 5.083,320 2.885,321 1.946,322 2.626,324 5.87,325 1.809,326 2.914,327 1.723,328 4.632,329 2.428,330 1.479,331 2.087,333 4.371,334 1.4,335 2.781,336 1.483,337 4.143,338 2.359,339 1.403,340 1.891,342 3.683,343 1.336,344 2.688,345 1.386,346 3.978,347 2.251,348 1.302,349 1.748,350 3.218,351 1.231,352 2.557,353 1.193,354 3.706,355 2.024,356 1.121,357 1.581,358 2.431,359 1.011,360 2.219,361 0.862,362 3.424,363 1.74,364 0.758,365 1.09,366 1.968,367 0.743,368 2.027,369 0.77,370 3.27,371 1.552,372 0.596,373 0.829,374 1.6,375 0.567,376 1.741,377 0.58,378 3.14,379 1.354,380 0.469,381 0.59,382 1.165,383 0.413,384 0.995,385 -0.064,386 2.805,387 0.62,388 -0.34,389 -0.421,390 -0.896,391 -0.322,392 0.69,393 -0.343,394 2.457,395 0.359,396 -0.577,397 -0.706,398 -1.363,399 -0.54,400 12.367,401 0.458,402 0.916,403 0.034,404 35.25,405 1.306,406 16.5,407 0.611,408 18.75,409 0.694,410 24.404,411 0.904,412 29.633,413 0.63,414 25.895,415 0.959,416 6.818,417 0.253,418 6.024,419 0.223,420 0.202,421 0.04,422 0.348,424 0.678,425 1.446,426 0.694,427 1.29,428 0.738,429 1.047,430 0.953,431 1.135,432 0.591,433 0.82,434 0.693,435 0.654,436 1.005,437 1.174,438 1.091,439 1.223,440 1.099,441 1.192,442 0.802,443 1.097,444 0.772,445 1.028,446 0.737,447 0.909,448 1.756,449 0.846,450 1.216,451 0.723,452 1.449,453 0.853,454 0.83,455 1.17,456 0.999,457 1.164,458 0.919,459 1.112,460 0.953,461 1.071,462 0.987,463 0.918,464 1.096,465 0.933,466 1.21,467 0.95,468 1.369,469 1.094,470 1.211,471 1.207,472 6.5,473 0.06,474 3.778,475 2.924,476 1.763,477 1.101,478 0.879,479 0.684,480 0.416,481 0.1,482 8133,483 22973,484 2.066,485 42.6,486 9,487 6,489 2,491 3,494 1.707,495 1.895,496 3.171,497 -0.623,498 1,499 1,502 79.14,503 1.684,504 3.789,505 4.602,506 4.602,507 4.602,508 4.602,509 2.666,510 4.236,511 4.724,512 3.365,513 1181.05,514 8.239,515 14697.8,517 1,519 1,520 261.066,521 1.675,522 4.66,523 0.217,524 0.005,525 0.084,526 0.07,527 0.04,528 0.028,529 0.023,530 0.018,531 0.013,532 0.005,533 0.502,534 0.17,535 1,536 0.803,537 131.281,538 0.184,539 -0.167,540 0.107,541 -0.183,542 0.056,543 -0.082,544 0.046,545 -0.038,546 0.334,547 0.195,548 0.232,549 0.308,550 0.013,551 -0.016,552 -0.214,553 -0.184,554 -0.17,555 -0.245,556 0.153,557 -0.142,558 0.219,559 -0.05,560 0.25,561 0.082,562 -0.27,563 0.147,564 -0.2,565 0.185,566 -0.216,567 0.027,568 -0.021,569 -0.072,570 -0.096,571 -0.149,572 -0.038,573 -0.136,574 -0.066,575 -0.079,576 -0.011,577 0.032,578 -0.108,579 0.034,580 -0.287,581 0.17,582 -0.449,583 -0.17,584 -0.271,585 -0.303,586 1.475,587 2.515,588 0.704,589 23.191,590 1.016,591 1.147,592 3.832,593 14.688,594 0.649,595 3.434,596 3.829,597 4.111,598 4.443,599 4.585,600 4.754,601 4.956,602 5.118,603 5.165,604 5.209,605 5.764,606 0.633,607 368.45,608 3.434,609 5.017,610 5.889,611 6.81,612 7.704,613 8.63,614 9.535,615 10.464,616 11.376,617 12.307,618 17,624 2,626 6,630 1,631 1,632 3,633 6,635 1,637 6,638 1,639 20,648 1,650 47,652 20,654 30,656 50,657 17,658 10,663 4,664 5,667 4,668 1,674 10,675 7,684 1,685 1,687 20,688 8,690 10,693 1,694 8,696 0.75,697 2,700 1,708 3,709 1,711 1,728 3,732 5,735 27,739 1,741 1,745 1,752 1,755 4.3,760 2,762 14.25,763 10.433,764 5.667,765 2.695,766 3.537,767 1.467,768 0.953,769 4.291,770 11.108,771 3.714,772 4.404,773 5.051,774 5.718,775 6.139,776 6.586,777 7.087,778 7.555,779 7.845,780 8.186,781 1,782 42,783 9.894,784 4.173,785 7.701,786 18.737,787 15.093,788 2.201,789 59.417,792 1,793 235.422,794 98.438,795 105.975,797 20.734,800 98.438,801 256.156,802 105.975,803 43.697,804 4.592,805 9.476,806 131.232,807 47.283,808 12.408,809 211.88,811 235.422,812 204.412,813 20.734,816 235.422,817 20.734,819 67.912,820 33.466,821 103.034,823 235.422,824 126.709,825 98.438,827 235.422,828 27.598,829 73.78,831 123.768,832 235.422,833 126.709,834 98.438,835 0.601,836 0.345,837 0.192,838 0.095,839 24,840 11,841 0.1,842 5,843 1,844 1.105,845 3.746,846 244.679,847 0.105,848 19,849 123.627,852 17.774,853 6.518,854 3.245,855 0.807,856 123.768,857 4.965,858 25.264,860 5.174,862 3.876,863 1.666,865 460.568,866 40,873 47.771,874 53.896,876 0.303,877 0.682,878 0.828,879 0.828,880 0.828,881 0.828,882 4.984,883 1.403,884 5.938,885 4.371,886 4.511,887 5.091,888 1.294,889 6.843,890 4.417,891 6.247,892 1.302,893 7.561,894 3.683,895 4.369,896 5.075,898 8.076,899 4.271,900 7.6,901 1.121,902 9.295,903 3.218,904 6.236,905 7.402,906 1.506,907 11.166,908 6.073,909 8.992,910 0.758,911 11.096,912 2.431,913 6.899,914 8.228,916 13.223,917 6.738,918 10.418,919 0.596,920 12.941,921 1.968,922 8.307,923 10.039,924 1.731,925 15.92,926 8.098,927 11.868,928 0.469,929 14.816,930 1.6,931 9.296,932 11.246,934 18.289,935 9.087,936 13.336,937 -0.34,938 16.715,939 1.165,940 10.561,941 12.866,942 1.968,943 20.883,944 10.32,945 3.508,946 -0.577,947 18.632,948 -0.896,949 11.685,950 14.25,952 23.373,953 11.439,954 3.04,955 13.207,956 20.563,957 -1.363,958 12.911,959 15.804,960 2.214,961 25.943,962 12.644,963 2.82,964 10.596,965 22.506,966 4.719,967 14.094,968 17.27,970 28.481,971 13.817,972 2.612,973 8.601,974 24.459,975 3.881,976 15.316,977 18.805,978 2.468,979 31.05,980 15.023,981 2.23,982 8.244,983 26.419,984 3.813,985 16.527,986 20.31,988 33.609,989 16.222,990 1.946,991 6.696,992 28.387,993 3.376,994 17.754,995 21.844,996 2.727,997 36.18,998 17.435,999 1.479,1000 5.87,1001 30.36,1002 2.753,1003 18.979,1004 23.369,1006 38.749,1007 18.648,1008 7812,1009 13343,1010 19.592,1011 30.523,1012 47.453,1013 46.811,1014 47.632,1015 46.483,1016 46.57,1017 61.971,1018 2.302,1019 143.296,1020 44.281,1021 5.669,1022 5.71,1023 6.981,1024 5.594,1025 5.508,1026 7.719,1027 2.302,1028 21.138,1029 5.39,1030 14.632,1031 1.582,1032 1.56,1033 1.588,1034 1.549,1035 1.552,1036 2.066,1037 0.077,1038 4.777,1039 1.476,1040 4.143,1041 4.191,1042 4.128,1043 3.965,1044 5.279,1045 3.998,1046 3.899,1047 3.976,1048 3.859,1049 3.669,1050 5.114,1051 3.695,1052 3.835,1053 3.859,1054 3.793,1055 3.62,1056 5.053,1057 3.666,1058 3.612,1059 3.681,1060 3.484,1061 3.434,1062 4.707,1063 3.439,1064 3.263,1065 3.318,1066 3.186,1067 2.983,1068 4.273,1069 3.019,1070 3.053,1071 3.155,1072 2.869,1073 2.864,1074 4.155,1075 2.855,1076 3.027,1077 3.128,1078 2.844,1079 2.776,1080 3.876,1081 2.768,1082 2.934,1083 3.028,1084 2.773,1085 2.663,1086 3.836,1087 2.683,1088 0.16,1089 0.124,1090 0.248,1091 0.15,1092 0.117,1093 4.814,1094 0.157,1095 3.71,1096 0.038,1097 7.45,1098 0.44,1099 4.487,1100 0.115,1101 3.508,1102 4.719,1103 1.151,1104 13.207,1105 3.442,1106 1.879,1107 1.84,1108 2.016,1109 2.055,1110 1.256,1111 2.023,1112 1.703,1113 1.651,1114 1.82,1115 1.908,1116 0.917,1117 1.897,1118 1.566,1119 1.499,1120 1.76,1121 1.837,1122 0.895,1123 1.82,1124 1.507,1125 1.461,1126 1.717,1127 1.717,1128 0.782,1129 1.717,1130 1.302,1131 1.228,1132 1.533,1133 1.598,1134 0.613,1135 1.575,1136 1.213,1137 1.157,1138 1.417,1139 1.441,1140 0.469,1141 1.411,1142 1.069,1143 1.015,1144 1.417,1145 1.372,1146 0.469,1147 1.323,1148 0.934,1149 0.804,1150 1.362,1151 1.239,1152 0.459,1153 1.308,1154 4.111,1156 5.485,1157 3.434,1158 7.029,1159 5.778,1160 8.659,1161 7.854,1162 10.341,1164 9.931,1169 0.253,1171 6.015,1175 -0.225,1179 29.762,1180 79.14,1181 178.069,1182 216.272,1183 216.272,1184 216.272,1185 216.272,1186 39.036,1187 7.57,1188 109.05,1189 109.05,1190 21,1191 12.812,1192 4.392,1193 3.459,1194 39.917,1195 93,1196 91,1197 0.215,1198 183.194,1199 294.08,1200 438.754,1201 18568,1203 19.181,1204 0.71,1205 0.586,1206 19.181,1207 15.833,1208 12.842,1209 0.428,1210 0.283,1211 8.288,1212 11.998,1213 7.904,1214 6.67,1215 12.842,1216 8.486,1217 12.734,1218 0.283,1219 0.162,1220 12.734,1221 7.307,1222 10.007,1223 0.167,1224 0.07,1225 10.007,1226 4.172,1227 8.927,1228 0.106,1229 0.034,1230 8.927,1231 2.893,1232 6.506,1233 0.067,1234 0.017,1235 6.506,1236 1.672,1237 0.327,1238 82.792,1239 0.226,1240 25.402,1241 0.625,1242 150,1243 488.632,1244 172.517,1245 464.924,1246 651.65,1247 436,1248 180,1249 519.385,1250 205.959,1251 515.208,1252 748.48,1253 479,1254 8.854}
{0 CHEMBL373250,1 1.771,2 9.621,3 4.175,4 17.428,5 106.039,6 8.322,7 0.656,8 4.009,9 4.133,10 3.668,11 3.472,12 5.232,13 3.497,14 4.535,15 4.717,16 4.076,17 3.851,18 5.743,19 3.882,20 4.709,21 4.88,22 4.114,23 3.985,24 5.97,25 3.983,26 4.903,27 5.141,28 4.108,29 3.966,30 6.066,31 3.951,32 4.807,33 5.031,34 4.11,35 3.85,36 6.169,37 3.876,38 4.642,39 4.839,40 4.028,41 3.887,42 5.894,43 3.889,44 4.758,45 4.999,46 3.942,47 3.889,48 5.879,49 3.857,50 4.616,51 4.813,52 3.927,53 3.88,54 5.812,55 3.858,56 0.179,57 0.913,58 8.033,59 4.031,60 9.613,61 4.828,62 0.481,63 1.413,64 17.532,65 6.321,66 33.71,67 8.1,68 0.612,69 1.662,70 19.861,71 7.789,72 44.779,73 9.393,74 0.866,75 1.639,76 30.42,77 8.938,78 76.625,79 12.478,80 1.305,81 1.618,82 28.42,83 6.689,84 120.268,85 9.147,86 0.606,87 1.521,88 19.061,89 6.005,90 43.163,91 8.019,92 0.762,93 1.447,94 25.477,95 7.295,96 65.678,97 10.401,98 0.674,99 1.419,100 19.023,101 6.445,102 48.043,103 8.15,104 38,105 48,106 0.298,107 0.639,108 0.757,109 0.792,110 0.799,111 0.799,112 3.409,113 0.836,114 -7.42,115 -7.2,116 -6.65,118 39.6,119 3,122 1,123 1,124 1,135 4,136 2,137 2,140 1,141 1,152 3,157 3,159 7,161 5,162 6,166 9,168 5,169 11,173 5,175 1,176 13,180 1,183 4,184 14,187 2,190 3,191 11,195 3,197 1,198 9,202 6,203 4,204 6,208 5,210 2,211 3,215 4,216 1312,217 18.919,218 18.919,219 18.919,220 18.919,221 18.919,222 16.388,223 16.709,224 10.72,225 19.473,226 15.776,227 15.776,228 15.776,229 15.776,230 15.776,231 11.934,232 16.386,233 5.083,234 16.737,235 3.814,236 1.785,237 1.084,238 0.876,239 0.834,240 0.834,241 4.096,245 1,246 1,247 600,248 3.606,251 142.924,252 163.13,254 115.708,258 1.453,259 40.365,262 0.75,263 0.83,264 0.83,265 0.7,266 0.5,267 0.83,268 1,269 0.78,270 65.5,271 279,272 4.709,273 3.638,274 7.262,275 4.397,276 3.414,277 4.618,278 1.151,279 12.335,280 3.366,281 4.445,282 3.301,283 6.793,284 4.123,285 3.165,286 3.966,288 11.163,289 3.021,290 4.187,291 3.066,292 6.086,293 3.749,294 2.821,295 3.814,297 8.755,298 2.615,299 4.114,300 2.933,301 6.035,302 3.668,303 2.717,304 3.646,306 8.592,307 2.573,308 3.551,309 2.723,310 5.529,311 3.2,312 2.278,313 2.833,315 7.112,316 2.094,317 3.469,318 2.579,319 5.083,320 3.024,321 2.104,322 2.758,324 5.94,325 1.92,326 3.216,327 2.022,328 4.882,329 2.747,330 1.815,331 2.483,333 5.343,334 1.673,335 2.819,336 1.761,337 4.438,338 2.375,339 1.436,340 1.95,342 4.053,343 1.345,344 2.724,345 1.423,346 4.157,347 2.356,348 1.378,349 1.788,350 3.718,351 1.339,352 2.565,353 1.224,354 3.905,355 2.05,356 1.129,357 1.594,358 2.789,359 1.042,360 2.553,361 1.12,362 3.782,363 2.02,364 1.072,365 1.577,366 2.499,367 1.01,368 2.2,369 0.976,370 3.422,371 1.755,372 0.82,373 1.095,374 2.27,375 0.762,376 1.733,377 0.836,378 3.109,379 1.334,380 0.436,381 0.555,382 1.069,383 0.388,384 1.371,385 0.603,386 2.898,387 0.968,388 0.098,389 0.119,390 0.22,391 0.083,392 0.961,393 -0.016,394 2.642,395 0.598,396 -0.339,397 -0.417,398 -0.885,399 -0.314,400 13.205,401 0.455,402 1.022,403 0.035,404 38,405 1.31,406 18.5,407 0.638,408 19.5,409 0.672,410 25.854,411 0.892,412 31.795,413 0.662,414 30.3,415 1.045,416 7.47,417 0.258,418 6.266,419 0.216,420 0.195,421 0.038,422 0.364,423 2,424 0.597,425 1.142,426 0.636,427 1.188,428 0.551,429 0.992,430 0.758,431 0.972,432 0.587,433 0.831,434 0.561,435 0.693,436 0.966,437 1.206,438 1.032,439 1.249,440 0.974,441 1.185,442 0.924,443 1.003,444 0.851,445 1.043,446 0.827,447 0.95,448 1.116,449 0.646,450 0.918,451 0.592,452 0.668,453 0.677,454 0.841,455 0.956,456 1.028,457 1.024,458 0.654,459 1.048,460 0.803,461 0.894,462 0.945,463 0.91,464 0.661,465 0.937,466 0.864,467 0.836,468 1.139,469 0.959,470 0.722,471 1.075,472 7.5,473 0.14,474 4.444,475 2.576,476 2.063,477 1.295,478 0.948,479 0.729,480 0.528,481 0.26,482 9866,483 31586,484 2.041,485 39.6,486 9,487 9,489 1,494 1.726,495 1.861,496 3.253,497 -0.649,499 1,502 85.005,503 1.771,504 3.8,505 4.501,506 4.709,507 4.751,508 4.751,509 2.682,510 4.349,511 4.829,512 3.444,513 1398.19,514 8.447,515 18523.6,517 1,519 1,520 268.078,521 1.694,522 4.757,523 0.234,524 0.007,525 0.093,526 0.055,527 0.046,528 0.029,529 0.022,530 0.019,531 0.014,532 0.009,533 0.527,534 0.17,535 0.88,536 0.805,537 144.959,538 0.042,539 -0.105,540 0.07,541 -0.134,542 -0.038,543 -0.057,544 0.031,545 -0.033,546 0.267,547 0.159,548 0.074,549 0.256,550 -0.045,551 -0.135,552 -0.183,553 -0.231,554 -0.085,555 -0.249,556 0.017,557 -0.145,558 0.154,559 -0.077,560 0.001,561 0.05,562 0.089,563 0.217,564 0.115,565 0.292,566 0.218,567 0.221,568 -0.059,569 0.023,570 -0.18,571 -0.103,572 0.027,573 -0.156,574 -0.027,575 -0.06,576 0.01,577 0.026,578 0.003,579 0.041,580 -0.07,581 0.137,582 -0.286,583 -0.009,584 -0.04,585 -0.16,586 2.288,587 6.283,588 0.69,589 26.473,590 1.026,591 1.152,592 6.192,593 38.342,594 0.66,595 3.497,596 3.892,597 4.159,598 4.443,599 4.654,600 4.804,601 5.011,602 5.182,603 5.252,604 5.328,605 6.125,606 0.652,607 399.45,608 3.497,609 5.081,610 5.948,611 6.86,612 7.748,613 8.662,614 9.56,615 10.476,616 11.38,617 12.298,618 14.6,624 2,626 5,631 1,632 5,633 5,637 7,638 1,639 21,648 1,649 2,650 48,652 21,653 1,654 32,656 51,657 19,658 13,659 3,660 3,663 4,664 5,667 3,668 1,674 13,675 6,685 1,686 2,687 19,688 8,690 10,694 7,696 0.75,697 1,701 1,708 2,709 2,711 1,728 3,732 4,734 2,735 29,739 1,741 1,745 1,752 2,754 2,755 2.1,760 1,762 15.583,763 10.269,764 6.083,765 2.736,766 3.779,767 1.487,768 0.969,769 4.794,770 11.54,771 3.773,772 4.466,773 5.095,774 5.727,775 6.246,776 6.671,777 7.171,778 7.649,779 7.977,780 8.368,781 1,782 47,783 10.747,784 4.7,785 8.003,786 19.814,787 16.106,788 2.503,789 72.583,792 1,793 223.651,794 121.787,795 86.378,797 11,798 29.92,800 121.787,801 234.651,802 116.298,803 34.872,804 4.592,805 37.905,806 101.58,807 47.172,808 34.735,809 211.88,811 223.651,812 208.165,813 40.92,816 253.571,817 11,819 48.998,820 75.729,821 83.438,823 253.571,824 97.378,825 121.787,827 223.651,828 40.391,829 84.336,831 124.358,832 223.651,833 127.298,834 121.787,835 0.605,836 0.346,837 0.18,838 0.096,839 25,840 12,841 0.098,842 5,843 1,844 1.1,845 3.883,846 268.034,847 0.1,848 20,849 136.127,852 19.409,853 7.162,854 3.705,855 0.402,856 124.358,857 6.367,858 20.757,862 0.588,863 1.599,865 472.736,866 42.5,873 49.251,874 55.283,876 0.317,877 0.68,878 0.806,879 0.843,880 0.851,881 0.851,882 5.045,883 1.436,884 5.999,885 5.343,886 4.575,887 5.153,888 1.294,889 6.889,890 4.464,891 6.312,892 1.378,893 7.618,894 4.053,895 4.443,896 5.156,898 8.084,899 4.304,900 7.664,901 1.129,902 9.345,903 3.718,904 6.293,905 7.46,906 1.506,907 11.14,908 6.106,909 9.054,910 1.072,911 11.134,912 2.789,913 6.938,914 8.256,916 13.125,917 6.737,918 10.473,919 0.82,920 12.965,921 2.499,922 8.337,923 10.067,924 1.731,925 15.776,926 8.101,927 11.913,928 0.436,929 14.823,930 2.27,931 9.3,932 11.226,934 18.061,935 9.054,936 13.369,937 0.098,938 16.702,939 1.069,940 10.551,941 12.843,942 1.968,943 20.593,944 10.282,945 3.414,946 -0.339,947 18.597,948 0.22,949 11.645,950 14.178,952 22.998,953 11.368,954 3.165,955 12.335,956 20.504,957 -0.885,958 12.85,959 15.719,960 2.214,961 25.496,962 12.556,963 2.821,964 11.163,965 22.421,966 4.618,967 14.002,968 17.14,970 27.951,971 13.699,972 2.717,973 8.755,974 24.347,975 3.966,976 15.197,977 18.655,978 2.468,979 30.441,980 14.882,981 2.278,982 8.592,983 26.28,984 3.814,985 16.375,986 20.12,988 32.918,989 16.051,990 2.104,991 7.112,992 28.218,993 3.646,994 17.571,995 21.629,996 2.727,997 35.409,998 17.237,999 1.815,1000 5.94,1001 30.162,1002 2.833,1003 18.763,1004 23.118,1006 37.897,1007 18.42,1008 9510,1009 17252,1010 20.69,1011 31.699,1012 50.125,1013 50.722,1014 50.965,1015 49.282,1016 49.368,1017 65.59,1018 2.302,1019 151.715,1020 46.463,1021 5.563,1022 5.638,1023 6.793,1024 5.502,1025 5.414,1026 7.618,1027 2.302,1028 19.907,1029 5.366,1030 16.942,1031 1.566,1032 1.585,1033 1.593,1034 1.54,1035 1.543,1036 2.05,1037 0.072,1038 4.741,1039 1.452,1040 4.132,1041 4.183,1042 4.118,1043 3.962,1044 8.206,1045 3.991,1046 3.904,1047 3.978,1048 3.865,1049 3.782,1050 8.196,1051 3.788,1052 3.86,1053 3.892,1054 3.822,1055 3.62,1056 5.22,1057 3.669,1058 3.664,1059 3.73,1060 3.56,1061 3.494,1062 5.064,1063 3.505,1064 3.264,1065 3.311,1066 3.177,1067 3.021,1068 4.678,1069 3.048,1070 3.048,1071 3.146,1072 2.97,1073 2.853,1074 4.444,1075 2.855,1076 2.99,1077 3.056,1078 2.857,1079 2.755,1080 4.29,1081 2.756,1082 2.935,1083 3.009,1084 2.782,1085 2.73,1086 4.057,1087 2.748,1088 0.147,1089 0.114,1090 0.227,1091 0.137,1092 0.107,1093 4.709,1094 0.144,1095 3.638,1096 0.036,1097 7.262,1098 0.385,1099 4.397,1100 0.105,1101 3.414,1102 4.618,1103 1.151,1104 12.335,1105 3.366,1106 1.94,1107 1.909,1108 2.045,1109 2.098,1110 1.264,1111 2.072,1112 1.856,1113 1.83,1114 1.955,1115 1.967,1116 1.069,1117 1.963,1118 1.577,1119 1.511,1120 1.768,1121 1.845,1122 0.898,1123 1.824,1124 1.536,1125 1.466,1126 1.708,1127 1.766,1128 0.798,1129 1.762,1130 1.278,1131 1.194,1132 1.509,1133 1.571,1134 0.605,1135 1.547,1136 1.171,1137 1.114,1138 1.417,1139 1.438,1140 0.469,1141 1.38,1142 0.981,1143 0.909,1144 1.417,1145 1.282,1146 0.469,1147 1.308,1148 0.934,1149 0.804,1150 1.262,1151 1.239,1152 0.327,1153 1.308,1154 4.174,1156 5.549,1157 3.045,1158 7.099,1159 5.352,1160 8.734,1161 7.391,1162 10.417,1164 7.801,1166 27.954,1169 0.143,1171 5.933,1175 -0.305,1179 31.319,1180 85.005,1181 182.411,1182 216.039,1183 226.039,1184 228.039,1185 228.039,1186 62.376,1187 7.762,1188 83.02,1189 83.02,1190 22,1191 12.811,1192 4.459,1193 3.524,1194 44.405,1195 106,1196 94,1197 0.207,1198 191.057,1199 318.39,1200 457.94,1201 23909,1202 4.2,1203 20.759,1204 0.716,1205 0.565,1206 19.018,1207 16.389,1208 13.736,1209 0.429,1210 0.279,1211 8.71,1212 12.871,1213 8.386,1214 7.017,1215 12.932,1216 8.919,1217 13.674,1218 0.285,1219 0.159,1220 12.513,1221 7.619,1222 10.857,1223 0.172,1224 0.071,1225 10.042,1226 4.48,1227 9.04,1228 0.108,1229 0.034,1230 8.483,1231 2.88,1232 7.165,1233 0.069,1234 0.017,1235 6.463,1236 1.804,1237 0.316,1238 88.479,1239 0.22,1240 27.032,1241 0.593,1242 160,1243 619.474,1244 185.303,1245 543.256,1246 734.62,1247 506,1248 191,1249 554.38,1250 218.179,1251 544.029,1252 795.65,1253 507,1254 8.638}
{0 CHEMBL394710,1 1.685,2 17.571,3 4.21,4 17.726,5 146.618,6 9.041,7 0.468,8 4.277,9 4.363,10 4.007,11 3.812,12 5.576,13 3.853,14 4.786,15 4.915,16 4.42,17 4.205,18 6.084,19 4.245,20 4.98,21 5.095,22 4.584,23 4.382,24 6.351,25 4.414,26 5.141,27 5.27,28 4.611,29 4.433,30 6.547,31 4.459,32 5.146,33 5.298,34 4.48,35 4.331,36 6.58,37 4.344,38 5.042,39 5.22,40 4.28,41 4.133,42 6.537,43 4.144,44 4.837,45 5.004,46 4.11,47 4.031,48 6.2,49 4.017,50 4.824,51 5.015,52 3.977,53 3.923,54 6.119,55 3.9,56 0.195,57 0.929,58 7.493,59 4.819,60 23.343,61 4.725,62 0.801,63 1.532,64 17.726,65 7.7,66 56.711,67 7.686,68 0.782,69 1.79,70 19.86,71 10.102,72 68.959,73 10.303,74 1.207,75 2.031,76 25.833,77 11.211,78 116.213,79 10.482,80 1.15,81 1.965,82 28.708,83 12.138,84 137.918,85 11.991,86 1.454,87 1.708,88 31.495,89 10.868,90 202.167,91 10.816,92 0.874,93 1.413,94 22.503,95 9.353,96 94.059,97 9.94,98 0.871,99 1.315,100 26.485,101 10.215,102 138.734,103 11.322,104 69,105 70,106 0.262,107 0.639,108 0.713,109 0.737,110 0.737,111 0.737,112 3.765,113 0.799,114 -4.46,115 -4.39,116 -4.14,118 48.4,123 2,124 2,132 2,133 2,135 6,136 4,137 2,139 2,145 2,149 4,151 2,159 12,161 8,162 8,166 14,168 7,169 8,173 12,175 10,176 14,180 4,183 4,184 14,190 6,191 16,197 5,198 10,203 2,204 6,210 7,211 8,216 3380,217 28.43,218 28.43,219 28.43,220 28.43,221 28.43,222 25.411,223 37.719,224 16.035,225 29.117,226 22.952,227 22.952,228 22.952,229 22.952,230 22.952,231 17.665,232 38.654,233 7.349,234 23.982,235 4.269,236 1.85,237 1.371,238 1.218,239 1.218,240 1.218,241 4.473,247 1636,248 4.472,251 167.698,252 413.853,254 301.733,255 346.726,258 2.259,259 65.016,262 0.5,263 0.5,264 0.67,265 0.2,267 0.67,268 1,269 0.5,270 93,271 738,272 4.714,273 3.835,274 7.128,275 4.349,276 3.397,277 4.403,278 1.674,279 12.367,280 3.239,281 4.713,282 3.832,283 7.128,284 4.348,285 3.397,286 4.403,287 1.674,288 12.367,289 3.239,290 4.244,291 3.646,292 6.432,293 3.843,294 2.858,295 3.854,296 1.2,297 9.833,298 2.8,299 4.241,300 3.631,301 6.432,302 3.837,303 2.852,304 3.853,305 1.2,306 9.831,307 2.797,308 3.874,309 3.028,310 5.928,311 3.425,312 2.449,313 3.172,314 0.293,315 7.916,316 2.391,317 3.871,318 3.025,319 5.928,320 3.42,321 2.443,322 3.169,323 0.293,324 7.916,325 2.389,326 3.681,327 2.905,328 5.646,329 3.311,330 2.357,331 2.944,333 7.257,334 2.238,335 3.678,336 2.902,337 5.641,338 3.302,339 2.342,340 2.94,342 7.241,343 2.233,344 3.489,345 2.515,346 5.224,347 3.054,348 2.092,349 2.636,350 6.329,351 1.996,352 3.467,353 2.51,354 5.223,355 3.02,356 2.049,357 2.616,358 6.316,359 1.971,360 2.97,361 2.105,362 4.357,363 2.485,364 1.573,365 1.876,366 3.911,367 1.423,368 2.962,369 1.768,370 4.303,371 2.3,372 1.356,373 1.847,374 3.592,375 1.274,376 2.793,377 1.762,378 4.094,379 2.215,380 1.251,381 1.656,382 3.14,383 1.199,384 2.759,385 1.5,386 4.091,387 2.004,388 1.064,389 1.5,390 2.93,391 0.991,392 2.573,393 1.497,394 3.9,395 1.916,396 0.945,397 1.39,398 2.487,399 0.91,400 19.4,401 0.462,402 1.186,403 0.028,404 60.5,405 1.44,406 31,407 0.738,408 29.5,409 0.702,410 33.731,411 0.803,412 42.4,413 0.684,414 57.565,415 1.371,416 12.374,417 0.295,418 7.87,419 0.187,420 0.172,422 0.443,424 0.746,425 1.447,426 0.596,427 1.092,428 0.582,429 0.868,430 0.818,431 0.822,432 0.69,433 0.645,434 0.57,435 0.616,436 0.82,437 1.163,438 0.752,439 1.029,440 0.746,441 0.914,442 1.153,443 1.017,444 1.098,445 0.992,446 1.424,447 1.019,448 1.22,449 1.192,450 1.183,451 1.226,452 1.241,453 1.198,454 1.364,455 0.838,456 1.214,457 0.863,458 1.117,459 0.952,460 1.056,461 0.947,462 1.161,463 1.133,464 0.913,465 1.165,466 1.265,467 0.997,468 1.101,469 1.086,470 1.264,471 1.079,472 7.5,473 0.255,474 6,475 3.806,476 4.43,477 2.251,478 1.174,479 0.611,480 0.481,481 0.332,482 33705,483 106867,484 2.085,485 32.3,487 16,488 2,489 2,494 1.805,495 1.909,496 4.009,497 -0.71,502 104.495,503 1.685,504 4.104,505 4.583,506 4.736,507 4.736,508 4.736,509 3.427,510 4.392,511 5.368,512 4.187,513 3605.43,514 9.451,515 66585,520 369.16,521 1.51,522 5.304,523 0.16,524 0.006,525 0.086,526 0.047,527 0.055,528 0.034,529 0.022,530 0.013,531 0.012,532 0.008,533 0.443,534 0.17,535 0.63,536 0.793,537 243.575,538 -0.068,539 -0.364,540 0.059,541 -0.177,542 -0.06,543 -0.063,544 0.087,545 0.286,546 0.128,547 0.262,548 0.038,549 0.225,550 0.08,551 -0.123,552 0.059,553 -0.088,554 0.031,555 -0.046,556 -0.044,557 0.029,558 -0.204,559 -0.064,560 -0.224,561 -0.155,562 -0.086,563 -0.211,564 -0.187,565 -0.257,566 -0.083,567 -0.247,568 -0.052,569 0.126,570 -0.087,571 0.121,572 0.117,573 0.047,574 0.015,575 0.007,576 -0.127,577 -0.135,578 0.031,579 -0.158,580 -0.098,581 -0.134,582 0.067,583 -0.028,584 -0.142,585 0.034,586 2.476,587 5.977,588 0.619,589 50.068,590 1.028,591 1.115,592 3.234,593 10.457,594 0.711,595 3.871,596 4.263,597 4.644,598 4.977,599 5.268,600 5.451,601 5.595,602 5.746,603 5.826,604 5.784,605 9.677,606 0.711,607 560.56,608 3.871,609 5.46,610 6.365,611 7.288,612 8.213,613 9.144,614 10.076,615 11.012,616 11.947,617 12.885,618 9.7,623 2,624 2,626 2,632 8,633 2,637 10,638 2,639 22,642 2,643 2,650 62,652 28,653 2,654 47,656 67,657 30,658 18,659 6,660 6,661 4,663 6,664 12,673 4,674 22,675 4,677 4,680 4,683 4,687 20,688 10,690 12,692 2,694 6,696 0.333,697 6,708 2,709 4,711 2,712 2,715 2,716 2,728 2,732 2,735 42,739 2,741 2,744 2,747 2,748 2,753 2,755 9.7,758 4,760 2,762 22,763 12.533,764 9.194,765 3.514,766 4.787,767 1.504,768 1.011,769 6.67,770 14.285,771 4.205,772 4.808,773 5.494,774 6.103,775 6.639,776 7.089,777 7.507,778 7.875,779 8.23,780 8.472,781 0.917,782 81,783 15.603,784 6.994,785 8.079,786 28.377,787 23.425,788 2.579,789 108.333,793 235.422,794 232.993,795 43.618,797 122.579,800 232.993,801 358.002,802 43.618,803 16.793,804 15.433,805 56.857,806 198.722,807 54.223,808 104.246,809 188.338,811 235.422,812 276.611,813 122.579,816 235.422,817 122.579,819 46.638,820 162.34,821 67.632,823 235.422,824 166.197,825 232.993,827 235.422,828 61.402,829 100.934,830 34.061,831 202.793,832 235.422,833 166.197,834 232.993,835 0.594,836 0.377,837 0.209,838 0.119,839 36,840 18,841 0.104,842 7,843 4,844 1.308,845 4.993,846 448.325,847 0.308,848 26,849 184.477,852 27.048,853 10.357,854 4.296,856 162.399,857 12.76,858 8.314,862 3.19,863 3.192,865 634.612,866 66,869 51.702,872 -2.334,873 63.76,874 69.153,876 0.283,877 0.689,878 0.77,879 0.795,880 0.795,881 0.795,882 5.495,883 2.342,884 6.389,885 7.257,886 4.949,887 5.497,888 2.889,889 7.303,890 4.868,891 6.741,892 2.092,893 8.017,894 7.241,895 4.691,896 5.407,897 0.57,898 8.401,899 4.588,900 8.081,901 2.049,902 9.746,903 6.329,904 6.645,905 7.735,906 3.676,907 11.578,908 6.487,909 9.457,910 1.573,911 11.533,912 6.316,913 7.216,914 8.496,915 1.045,916 13.492,917 7.027,918 10.865,919 1.356,920 13.357,921 3.911,922 8.656,923 10.283,924 4.59,925 16.216,926 8.417,927 12.297,928 1.251,929 15.205,930 3.592,931 9.584,932 11.419,933 1.491,934 18.468,935 9.304,936 13.748,937 1.064,938 17.073,939 3.14,940 10.854,941 13.006,942 5.564,943 21.046,944 10.526,945 3.397,946 0.945,947 18.954,948 2.93,949 11.941,950 14.317,951 1.928,952 23.443,953 11.565,954 3.397,955 12.367,956 20.847,957 2.487,958 13.159,959 15.827,960 6.567,961 25.973,962 12.734,963 2.858,964 12.367,965 22.75,966 4.403,967 14.314,968 17.22,969 2.356,970 28.434,971 13.839,972 2.852,973 9.833,974 24.661,975 4.403,976 15.521,977 18.703,978 7.584,979 30.949,980 14.996,981 2.449,982 9.831,983 26.578,984 3.854,985 16.708,986 20.135,987 2.776,988 33.437,989 16.132,990 2.443,991 7.916,992 28.501,993 3.853,994 17.915,995 21.608,996 8.609,997 35.948,998 17.288,999 2.357,1000 7.916,1001 30.43,1002 3.172,1003 19.117,1004 23.06,1005 3.188,1006 38.449,1007 18.439,1008 31130,1009 55656,1010 30.865,1011 44.091,1012 75.676,1013 76.954,1014 77.067,1015 72.13,1016 72.108,1017 95.604,1018 12.669,1019 223.208,1020 69.242,1021 5.66,1022 5.835,1023 6.811,1024 5.463,1025 5.397,1026 7.403,1027 3.349,1028 20.367,1029 5.239,1030 25.666,1031 1.61,1032 1.637,1033 1.64,1034 1.535,1035 1.534,1036 2.034,1037 0.27,1038 4.749,1039 1.473,1040 4.124,1041 4.161,1042 4.102,1043 3.995,1044 7.438,1045 4.014,1046 4.079,1047 4.116,1048 4.059,1049 3.954,1050 7.431,1051 3.972,1052 3.773,1053 3.795,1054 3.737,1055 3.644,1056 7.427,1057 3.667,1058 3.755,1059 3.782,1060 3.723,1061 3.634,1062 7.426,1063 3.656,1064 3.558,1065 3.591,1066 3.466,1067 3.316,1068 5.451,1069 3.343,1070 3.413,1071 3.461,1072 3.36,1073 3.21,1074 5.442,1075 3.237,1076 3.383,1077 3.445,1078 3.307,1079 3.166,1080 4.933,1081 3.186,1082 3.243,1083 3.267,1084 3.188,1085 3.085,1086 4.906,1087 3.091,1088 0.1,1089 0.082,1090 0.152,1091 0.093,1092 0.072,1093 4.714,1094 0.094,1095 3.835,1096 0.036,1097 7.128,1098 0.263,1099 4.349,1100 0.069,1101 3.397,1102 4.403,1103 1.674,1104 12.367,1105 3.239,1106 1.97,1107 1.948,1108 2.033,1109 2.082,1110 1.171,1111 2.065,1112 1.969,1113 1.948,1114 2.033,1115 2.081,1116 1.171,1117 2.064,1118 1.599,1119 1.577,1120 1.757,1121 1.834,1122 0.978,1123 1.801,1124 1.565,1125 1.535,1126 1.699,1127 1.747,1128 0.782,1129 1.73,1130 1.473,1131 1.43,1132 1.686,1133 1.697,1134 0.779,1135 1.695,1136 1.367,1137 1.336,1138 1.462,1139 1.603,1140 0.504,1141 1.558,1142 1.306,1143 1.248,1144 1.461,1145 1.54,1146 0.502,1147 1.518,1148 1.205,1149 1.147,1150 1.413,1151 1.467,1152 0.366,1153 1.453,1154 4.554,1156 5.927,1157 3.045,1158 7.505,1159 5.416,1160 9.185,1161 7.573,1162 10.926,1164 3.027,1169 -0.585,1171 10.569,1174 2.578,1177 10.923,1178 4.997,1179 44.105,1180 104.495,1181 254.431,1182 284.141,1183 293.65,1184 293.65,1185 293.65,1186 98.998,1187 9.498,1188 131.2,1189 131.2,1190 34,1191 13.382,1192 4.858,1193 4.322,1194 62.194,1195 255,1196 236,1197 0.119,1198 266.23,1199 481.02,1200 641.362,1201 246613,1203 29.706,1204 0.707,1205 0.531,1206 29.706,1207 22.32,1208 20.244,1209 0.431,1210 0.266,1211 12.257,1212 19.228,1213 11.987,1214 9.886,1215 20.244,1216 12.519,1217 18.47,1218 0.264,1219 0.133,1220 18.47,1221 9.326,1222 17.281,1223 0.168,1224 0.068,1225 17.281,1226 6.972,1227 14.556,1228 0.101,1229 0.034,1230 14.556,1231 4.939,1232 12.248,1233 0.063,1234 0.017,1235 12.248,1236 3.338,1237 0.195,1238 128.815,1239 0.18,1240 37.739,1241 0.309,1242 234,1243 814.284,1244 264.151,1245 775.604,1246 1056.92,1247 722,1248 290,1249 784.469,1250 323.71,1251 790.057,1252 1175.58,1253 740,1254 7.824}
{0 CHEMBL443736,1 1.614,2 18.578,3 4.251,4 18.069,5 165.478,6 7.731,7 0.44,8 4.48,9 4.589,10 4.081,11 3.981,12 5.607,13 3.985,14 5.046,15 5.22,16 4.476,17 4.39,18 6.17,19 4.382,20 5.283,21 5.451,22 4.676,23 4.619,24 6.437,25 4.598,26 5.468,27 5.647,28 4.713,29 4.673,30 6.686,31 4.646,32 5.428,33 5.619,34 4.589,35 4.615,36 6.588,37 4.571,38 5.384,39 5.587,40 4.465,41 4.468,42 6.613,43 4.425,44 5.293,45 5.503,46 4.283,47 4.341,48 6.555,49 4.283,50 5.233,51 5.479,52 4.08,53 4.298,54 6.237,55 4.176,56 0.091,57 1.185,58 15.023,59 6.949,60 12.382,61 8.785,62 0.76,63 1.928,64 31.78,65 11.27,66 53.716,67 15.005,68 0.648,69 2.389,70 39.501,71 15.551,72 63.488,73 20.356,74 1.265,75 2.664,76 51.167,77 17.61,78 128.68,79 22.681,80 1.037,81 2.553,82 49.422,83 16.845,84 110.837,85 22.058,86 1.142,87 2.344,88 48.756,89 15.185,90 136.427,91 20.12,92 1.477,93 2.032,94 46.86,95 13.985,96 189.215,97 18.245,98 0.829,99 1.943,100 44.016,101 15.127,102 103.276,103 21.158,104 69,105 73,106 0.244,107 0.562,108 0.725,109 0.743,110 0.743,111 0.743,112 3.832,113 0.897,114 -4.35,115 -4.28,116 -4.04,118 41.8,119 2,120 3,123 2,124 4,135 6,136 4,137 2,139 2,144 2,149 4,151 2,159 12,161 6,162 10,166 14,168 6,169 8,173 12,175 9,176 16,180 4,183 4,184 16,190 4,191 18,197 6,198 12,203 3,204 6,208 4,210 4,211 6,215 4,216 4092,217 30.447,218 30.447,219 30.447,220 30.447,221 30.447,222 27.562,223 42.316,224 17.381,225 31.14,226 24.46,227 24.46,228 24.46,229 24.46,230 24.46,231 19.504,232 42.046,233 8.027,234 25.479,235 4.689,236 2.579,237 1.5,238 1.38,239 1.38,240 1.38,241 4.539,247 1842,248 4.583,251 179.208,252 231.89,253 245.391,255 361.817,256 405.652,258 2.406,259 61.497,262 0.5,263 0.33,264 0.5,265 0.6,266 0.5,267 0.67,268 1,269 0.59,270 99,271 836,272 4.642,273 3.77,274 6.946,275 4.269,276 3.308,277 4.346,278 1.674,279 11.728,280 3.183,281 4.642,282 3.769,283 6.946,284 4.269,285 3.308,286 4.345,287 1.674,288 11.728,289 3.183,290 4.274,291 3.667,292 6.483,293 3.901,294 2.917,295 3.872,296 1.23,297 9.995,298 2.858,299 4.274,300 3.663,301 6.483,302 3.899,303 2.915,304 3.872,305 1.23,306 9.994,307 2.857,308 3.773,309 3.117,310 5.931,311 3.474,312 2.512,313 3.067,314 0.521,315 8.03,316 2.424,317 3.772,318 3.115,319 5.931,320 3.474,321 2.512,322 3.067,323 0.521,324 8.029,325 2.424,326 3.706,327 2.785,328 5.505,329 3.349,330 2.382,331 2.997,333 7.064,334 2.285,335 3.701,336 2.784,337 5.503,338 3.34,339 2.37,340 2.994,342 7.061,343 2.28,344 3.35,345 2.451,346 5.198,347 3.051,348 2.085,349 2.527,350 6.213,351 1.999,352 3.34,353 2.45,354 5.197,355 3.028,356 2.056,357 2.517,358 6.206,359 1.982,360 2.831,361 2.096,362 4.515,363 2.622,364 1.677,365 1.904,366 4.119,367 1.575,368 2.795,369 1.982,370 4.503,371 2.392,372 1.443,373 1.876,374 3.971,375 1.362,376 2.664,377 1.962,378 4.093,379 2.316,380 1.334,381 1.69,382 3.308,383 1.302,384 2.576,385 1.691,386 4.086,387 2.105,388 1.162,389 1.588,390 3.123,391 1.091,392 2.574,393 1.487,394 3.996,395 2.103,396 1.158,397 1.586,398 3.115,399 1.09,400 20.9,401 0.464,402 1.22,403 0.027,404 57,405 1.267,406 26,407 0.578,408 31,409 0.689,410 45.398,411 1.009,412 48.7,413 0.616,414 54.627,415 1.214,416 11.231,417 0.25,418 10.479,419 0.233,420 0.159,422 0.411,424 0.713,425 1.541,426 0.717,427 1.22,428 0.531,429 1.009,430 0.794,431 0.952,432 0.762,433 0.788,434 0.529,435 0.756,436 0.776,437 1.141,438 0.79,439 1.057,440 0.677,441 0.949,442 1.169,443 1.065,444 1.024,445 1.021,446 1.416,447 1.004,448 1.194,449 1.121,450 1.108,451 1.082,452 1.25,453 1.078,454 1.278,455 1.112,456 1.184,457 1.14,458 1.299,459 1.128,460 1.41,461 0.844,462 1.245,463 0.919,464 1.228,465 1.02,466 0.823,467 1.024,468 1.051,469 1.143,470 0.676,471 1.146,472 8.5,473 0.237,474 6.444,475 3.944,476 3.857,477 2.453,478 1.347,479 0.632,480 0.491,481 0.341,482 41258,483 109176,484 2.079,485 43,486 10,487 20,489 2,493 2,494 1.821,495 1.915,496 4.062,497 -0.729,502 127.54,503 1.614,504 3.725,505 4.803,506 4.924,507 4.924,508 4.924,509 3.469,510 4.514,511 5.47,512 4.277,513 4234,514 9.648,515 83993.4,520 497.999,521 1.497,522 5.408,523 0.17,524 0.006,525 0.088,526 0.045,527 0.044,528 0.032,529 0.021,530 0.012,531 0.012,532 0.009,533 0.439,534 0.17,535 0.63,536 0.765,537 267.464,538 -0.027,539 -0.337,540 0.071,541 -0.149,542 -0.025,543 -0.044,544 0.104,545 0.178,546 0.148,547 0.198,548 0.081,549 0.189,550 0.075,551 -0.054,552 0.107,553 -0.03,554 0.066,555 0.029,556 -0.005,557 -0.035,558 -0.051,559 -0.037,560 -0.139,561 -0.057,562 -0.111,563 -0.094,564 -0.137,565 -0.1,566 -0.133,567 -0.121,568 -0.076,569 -0.1,570 -0.173,571 -0.196,572 -0.039,573 -0.193,574 -0.05,575 0.116,576 -0.193,577 0.021,578 0.078,579 -0.085,580 0.054,581 -0.104,582 -0.041,583 -0.147,584 0.066,585 -0.118,586 2.29,587 6.053,588 0.622,589 55.526,590 1.012,591 1.127,592 3.12,593 9.735,594 0.664,595 3.932,596 4.304,597 4.654,598 4.956,599 5.231,600 5.464,601 5.602,602 5.707,603 5.844,604 5.878,605 10.414,606 0.643,607 610.73,608 3.932,609 5.509,610 6.399,611 7.307,612 8.216,613 9.133,614 10.05,615 10.97,616 11.891,617 12.814,618 7.6,623 2,624 2,626 2,632 8,633 2,637 10,638 2,639 22,642 2,643 2,650 79,652 26,653 2,654 50,656 84,657 33,658 18,659 6,660 6,661 4,663 6,664 12,667 2,672 3,674 22,675 11,677 4,680 4,683 4,687 34,688 10,690 12,692 2,694 6,696 0.333,697 6,708 2,709 2,710 2,712 2,713 2,728 2,732 4,735 45,739 7,741 2,744 2,755 7.6,758 4,760 2,762 23.5,763 15.867,764 9.889,765 5.072,766 4.477,767 1.465,768 0.988,769 8.626,770 14.098,771 4.19,772 4.8,773 5.439,774 6.029,775 6.535,776 6.96,777 7.351,778 7.677,779 8.019,780 8.263,781 1,782 88,783 16.832,784 7.395,785 7.874,786 31.609,787 26.224,788 2.374,789 106.833,793 400.217,794 182.612,795 43.618,797 122.579,800 182.612,801 522.797,802 43.618,803 34.443,804 27.248,805 56.857,806 198.722,807 49.567,808 5.513,809 376.675,811 400.217,812 226.23,813 122.579,816 376.675,817 146.122,819 71.448,820 121.211,821 33.571,823 400.217,824 166.197,825 182.612,827 400.217,828 74.075,829 118.585,831 156.151,832 400.217,833 166.197,834 182.612,835 0.59,836 0.367,837 0.198,838 0.113,839 36,840 18,841 0.119,842 10,843 4,844 1.286,845 5.215,846 485.156,847 0.286,848 28,849 203.133,852 30.753,853 12.622,854 5.69,856 162.399,857 14.477,858 8.627,862 5.892,863 3.517,865 749.027,866 65,869 52.129,872 -1.51,873 79.945,874 89.059,876 0.256,877 0.591,878 0.762,879 0.781,880 0.781,881 0.781,882 5.466,883 2.37,884 6.412,885 7.064,886 4.99,887 5.489,888 2.948,889 7.295,890 4.916,891 6.689,892 2.085,893 8.021,894 7.061,895 4.691,896 5.407,897 0.57,898 8.334,899 4.599,900 8.02,901 2.056,902 9.731,903 6.213,904 6.658,905 7.7,906 3.701,907 11.485,908 6.516,909 9.388,910 1.677,911 11.498,912 6.206,913 7.186,914 8.46,915 1.16,916 13.341,917 7.023,918 10.791,919 1.443,920 13.302,921 4.119,922 8.626,923 10.231,924 4.604,925 16.022,926 8.419,927 12.217,928 1.334,929 15.13,930 3.971,931 9.512,932 11.358,933 1.692,934 18.211,935 9.278,936 13.66,937 1.162,938 16.977,939 3.308,940 10.769,941 12.936,942 5.573,943 20.736,944 10.494,945 3.308,946 1.158,947 18.837,948 3.123,949 11.815,950 14.233,951 2.193,952 23.07,953 11.507,954 3.308,955 11.728,956 20.709,957 3.115,958 13.009,959 15.734,960 6.573,961 25.542,962 12.663,963 2.917,964 11.728,965 22.588,966 4.346,967 14.127,968 17.111,969 2.675,970 27.939,971 13.743,972 2.915,973 9.995,974 24.475,975 4.345,976 15.304,977 18.583,978 7.588,979 30.394,980 14.882,981 2.512,982 9.994,983 26.368,984 3.872,985 16.455,986 19.999,987 3.145,988 32.82,989 15.994,990 2.512,991 8.03,992 28.266,993 3.872,994 17.631,995 21.46,996 8.611,997 35.271,998 17.131,999 2.382,1000 8.029,1001 30.168,1002 3.067,1003 18.799,1004 22.897,1005 3.605,1006 37.712,1007 18.259,1008 38226,1009 62476,1010 32.945,1011 52.421,1012 77.227,1013 80.653,1014 80.672,1015 76.02,1016 75.938,1017 96.98,1018 13.704,1019 229.806,1020 73.124,1021 5.597,1022 5.77,1023 6.715,1024 5.372,1025 5.308,1026 7.346,1027 3.349,1028 19.395,1029 5.183,1030 27.137,1031 1.545,1032 1.613,1033 1.613,1034 1.52,1035 1.519,1036 1.94,1037 0.274,1038 4.596,1039 1.462,1040 4.122,1041 4.16,1042 4.089,1043 3.997,1044 7.437,1045 4.013,1046 4.07,1047 4.108,1048 4.042,1049 3.951,1050 7.431,1051 3.966,1052 3.806,1053 3.836,1054 3.756,1055 3.679,1056 7.427,1057 3.695,1058 3.794,1059 3.828,1060 3.746,1061 3.672,1062 7.426,1063 3.688,1064 3.636,1065 3.685,1066 3.509,1067 3.437,1068 4.938,1069 3.441,1070 3.531,1071 3.592,1072 3.446,1073 3.298,1074 4.905,1075 3.323,1076 3.514,1077 3.581,1078 3.424,1079 3.282,1080 4.61,1081 3.304,1082 3.367,1083 3.439,1084 3.25,1085 3.195,1086 4.6,1087 3.183,1088 0.093,1089 0.075,1090 0.139,1091 0.085,1092 0.066,1093 4.642,1094 0.087,1095 3.77,1096 0.033,1097 6.946,1098 0.235,1099 4.269,1100 0.064,1101 3.308,1102 4.346,1103 1.674,1104 11.728,1105 3.183,1106 1.95,1107 1.926,1108 2.051,1109 2.041,1110 1.234,1111 2.043,1112 1.95,1113 1.926,1114 2.05,1115 2.041,1116 1.234,1117 2.043,1118 1.68,1119 1.645,1120 1.869,1121 1.9,1122 1.16,1123 1.882,1124 1.658,1125 1.617,1126 1.808,1127 1.871,1128 1.038,1129 1.853,1130 1.582,1131 1.523,1132 1.798,1133 1.82,1134 1.035,1135 1.817,1136 1.486,1137 1.421,1138 1.746,1139 1.695,1140 0.897,1141 1.714,1142 1.486,1143 1.421,1144 1.745,1145 1.694,1146 0.897,1147 1.714,1148 1.367,1149 1.332,1150 1.519,1151 1.648,1152 0.605,1153 1.59,1154 4.615,1156 5.974,1157 3.045,1158 7.518,1159 5.533,1160 9.149,1161 7.758,1162 10.83,1164 7.427,1169 2.223,1171 10.94,1174 3.112,1179 50.792,1180 127.54,1181 294.277,1182 379.469,1183 388.979,1184 388.979,1185 388.979,1186 108.107,1187 9.622,1188 128.86,1189 128.86,1190 36,1191 13.321,1192 4.755,1193 4,1194 69.087,1195 296,1196 257,1197 0.114,1198 306.717,1199 543.48,1200 740.15,1201 302322,1203 31.827,1204 0.707,1205 0.571,1206 31.827,1207 25.701,1208 21.71,1209 0.434,1210 0.299,1211 14.687,1212 20.674,1213 14.272,1214 11.835,1215 21.71,1216 14.955,1217 19.705,1218 0.27,1219 0.153,1220 19.705,1221 11.178,1222 17.963,1223 0.173,1224 0.079,1225 17.963,1226 8.26,1227 14.759,1228 0.105,1229 0.04,1230 14.759,1231 5.704,1232 12.22,1233 0.066,1234 0.021,1235 12.22,1236 3.969,1237 0.187,1238 137.688,1239 0.174,1240 40.011,1241 0.291,1242 246,1243 786.284,1244 275.374,1245 742.152,1246 1012.72,1247 694,1248 300,1249 747.06,1250 332.267,1251 751.498,1252 1118.5,1253 704,1254 6.998}
{0 CHEMBL449393,1 1.621,2 20.277,3 5.656,4 31.995,5 171.646,6 8.191,7 0.423,8 4.459,9 4.56,10 4.108,11 3.99,12 5.67,13 4.003,14 4.999,15 5.156,16 4.494,17 4.385,18 6.184,19 4.388,20 5.256,21 5.413,22 4.691,23 4.618,24 6.464,25 4.605,26 5.444,27 5.62,28 4.724,29 4.661,30 6.702,31 4.644,32 5.393,33 5.572,34 4.603,35 4.591,36 6.63,37 4.564,38 5.331,39 5.526,40 4.467,41 4.46,42 6.615,43 4.423,44 5.215,45 5.415,46 4.279,47 4.311,48 6.568,49 4.265,50 5.072,51 5.278,52 4.062,53 4.238,54 6.223,55 4.145,56 0.114,57 1.131,58 12.654,59 6.512,60 21.927,61 7.599,62 0.76,63 1.864,64 27.336,65 10.476,66 57.612,67 12.722,68 0.677,69 2.332,70 35.143,71 14.893,72 74.113,73 18.275,74 1.238,75 2.644,76 47.441,77 17.31,78 152.078,79 20.601,80 1.17,81 2.5,82 45.412,83 16.14,84 134.988,85 18.989,86 1.029,87 2.301,88 43.77,89 15.432,90 145.928,91 18.776,92 1.358,93 1.952,94 41.902,95 13.858,96 201.951,97 16.489,98 0.835,99 1.774,100 34.145,101 12.777,102 129.61,103 16.051,104 69,105 75,106 0.243,107 0.6,108 0.722,109 0.751,110 0.751,111 0.751,112 3.874,113 0.86,114 -4.58,115 -4.5,116 -4.24,118 45.5,120 3,123 2,124 4,132 2,133 2,135 6,136 4,137 2,139 2,144 2,149 4,151 2,159 14,161 6,162 10,166 15,168 6,169 10,173 12,175 8,176 18,180 4,183 4,184 18,190 3,191 22,197 4,198 16,203 2,204 10,208 4,210 2,211 8,215 8,216 4730,217 31.861,218 31.861,219 31.861,220 31.861,221 31.861,222 28.793,223 40.635,224 18.381,225 32.554,226 25.46,227 25.46,228 25.46,229 25.46,230 25.46,231 20.137,232 39.681,233 8.527,234 26.477,235 4.646,236 2.269,237 1.461,238 1.266,239 1.266,240 1.266,241 4.581,247 2096,248 4.796,251 197.588,252 254.056,253 270.139,255 398.324,256 445.225,258 2.611,259 67.116,262 0.5,263 0.33,264 0.5,265 0.6,266 0.5,267 0.67,268 1,269 0.59,270 103,271 953,272 4.644,273 3.77,274 6.946,275 4.269,276 3.308,277 4.348,278 1.674,279 11.728,280 3.183,281 4.644,282 3.77,283 6.946,284 4.269,285 3.308,286 4.348,287 1.674,288 11.728,289 3.183,290 4.285,291 3.666,292 6.483,293 3.9,294 2.916,295 3.889,296 1.23,297 9.995,298 2.858,299 4.285,300 3.665,301 6.483,302 3.9,303 2.916,304 3.889,305 1.23,306 9.995,307 2.857,308 3.885,309 3.12,310 5.931,311 3.474,312 2.512,313 3.178,314 0.521,315 8.03,316 2.424,317 3.885,318 3.12,319 5.931,320 3.474,321 2.512,322 3.178,323 0.521,324 8.03,325 2.424,326 3.741,327 2.901,328 5.504,329 3.346,330 2.378,331 2.997,333 7.063,334 2.283,335 3.741,336 2.901,337 5.504,338 3.343,339 2.375,340 2.997,342 7.063,343 2.282,344 3.441,345 2.532,346 5.197,347 3.049,348 2.081,349 2.57,350 6.21,351 1.999,352 3.439,353 2.532,354 5.197,355 3.035,356 2.066,357 2.568,358 6.209,359 1.988,360 2.973,361 2.074,362 4.511,363 2.776,364 1.795,365 1.914,366 4.106,367 1.757,368 2.967,369 1.996,370 4.508,371 2.442,372 1.51,373 1.883,374 4.02,375 1.4,376 2.858,377 1.969,378 4.092,379 2.364,380 1.396,381 1.794,382 3.511,383 1.342,384 2.802,385 1.872,386 4.088,387 2.208,388 1.244,389 1.602,390 3.132,391 1.189,392 2.741,393 1.501,394 3.996,395 2.104,396 1.16,397 1.589,398 3.12,399 1.09,400 21.9,401 0.466,402 1.22,403 0.026,404 62,405 1.319,406 30,407 0.638,408 32,409 0.681,410 44.204,411 0.941,412 48.9,413 0.635,414 60.174,415 1.28,416 12.506,417 0.266,418 10.204,419 0.217,420 0.152,422 0.393,424 0.721,425 1.451,426 0.674,427 1.135,428 0.558,429 0.938,430 0.832,431 0.93,432 0.783,433 0.765,434 0.536,435 0.746,436 0.796,437 1.108,438 0.805,439 1.037,440 0.672,441 0.946,442 1.234,443 1.017,444 1.025,445 0.978,446 1.409,447 0.967,448 1.362,449 1.043,450 1.162,451 1.001,452 1.257,453 1.031,454 1.252,455 1.09,456 1.151,457 1.133,458 1.117,459 1.116,460 1.416,461 0.831,462 1.198,463 0.877,464 1.306,465 0.968,466 1.018,467 1.057,468 1.246,469 1.158,470 1.087,471 1.235,472 8.5,473 0.22,474 6.444,475 3.944,476 3.857,477 2.453,478 1.388,479 0.663,480 0.491,481 0.31,482 49232,483 145014,484 2.076,485 39,486 2,487 20,488 2,489 2,492 4,494 1.829,495 1.918,496 4.174,497 -0.741,502 124.791,503 1.621,504 3.998,505 4.805,506 5,507 5,508 5,509 3.575,510 4.491,511 5.535,512 4.408,513 4765.34,514 9.76,515 101527,520 482.543,521 1.484,522 5.474,523 0.163,524 0.006,525 0.086,526 0.044,527 0.043,528 0.031,529 0.021,530 0.012,531 0.011,532 0.008,533 0.426,534 0.17,535 0.63,536 0.747,537 285.715,538 -0.036,539 -0.321,540 0.064,541 -0.146,542 -0.025,543 -0.047,544 0.082,545 0.185,546 0.096,547 0.181,548 0.068,549 0.155,550 0.064,551 -0.06,552 0.08,553 -0.05,554 0.062,555 0.001,556 -0.057,557 -0.013,558 -0.039,559 -0.011,560 -0.172,561 -0.025,562 -0.173,563 -0.037,564 -0.17,565 -0.039,566 -0.147,567 -0.093,568 -0.093,569 -0.107,570 -0.13,571 -0.167,572 -0.005,573 -0.152,574 -0.071,575 0.107,576 -0.122,577 0.097,578 0.024,579 0.006,580 -0.046,581 -0.103,582 -0.239,583 -0.16,584 -0.113,585 -0.224,586 2.254,587 5.977,588 0.596,589 61.445,590 1.015,591 1.12,592 3.349,593 11.219,594 0.687,595 3.97,596 4.331,597 4.673,598 4.97,599 5.242,600 5.472,601 5.609,602 5.71,603 5.844,604 5.872,605 11.462,606 0.672,607 630.71,608 3.97,609 5.541,610 6.425,611 7.328,612 8.234,613 9.147,614 10.061,615 10.979,616 11.897,617 12.819,618 7.8,623 2,624 2,626 2,632 8,633 2,637 10,638 2,639 22,642 2,643 2,650 77,652 28,653 2,654 52,656 82,657 35,658 18,659 6,660 6,661 4,663 6,664 12,672 3,673 4,674 22,675 9,677 4,680 4,683 4,687 30,688 10,690 12,692 2,694 6,696 0.333,697 6,708 2,709 2,710 2,712 2,713 2,715 2,716 2,728 2,732 2,735 47,739 7,741 2,744 2,747 2,748 2,753 2,755 7.8,758 4,760 2,762 24.5,763 15.033,764 10.389,765 4.614,766 4.729,767 1.49,768 0.991,769 9.006,770 14.38,771 4.277,772 4.848,773 5.498,774 6.076,775 6.589,776 7.048,777 7.462,778 7.778,779 8.127,780 8.428,781 1,782 90,783 17.491,784 7.678,785 7.965,786 32.46,787 26.75,788 2.465,789 115.833,793 353.133,794 245.666,795 43.618,797 122.579,800 245.666,801 475.713,802 43.618,803 16.793,804 27.248,805 56.857,806 198.722,807 49.567,808 109.759,809 306.049,811 353.133,812 289.283,813 122.579,816 306.049,817 169.664,819 53.797,820 167.854,821 67.632,823 353.133,824 166.197,825 245.666,827 353.133,828 74.075,829 100.934,830 34.061,831 202.793,832 353.133,833 166.197,834 245.666,835 0.586,836 0.362,837 0.195,838 0.111,839 36,840 18,841 0.122,842 10,843 4,844 1.286,845 5.444,846 502.415,847 0.286,848 28,849 211.066,852 31.824,853 13.3,854 6.065,856 162.399,857 13.261,858 8.587,862 4.542,863 3.426,865 764.996,866 71,869 51.864,872 -1.599,873 78.178,874 86.229,876 0.259,877 0.638,878 0.767,879 0.798,880 0.798,881 0.798,882 5.555,883 2.375,884 6.431,885 7.063,886 5.017,887 5.537,888 2.948,889 7.306,890 4.945,891 6.781,892 2.081,893 8.034,894 7.063,895 4.691,896 5.407,897 0.57,898 8.334,899 4.599,900 8.107,901 2.066,902 9.739,903 6.21,904 6.673,905 7.741,906 3.701,907 11.487,908 6.533,909 9.469,910 1.795,911 11.503,912 6.209,913 7.186,914 8.479,915 1.16,916 13.341,917 7.023,918 10.865,919 1.51,920 13.305,921 4.106,922 8.634,923 10.265,924 4.604,925 16.022,926 8.428,927 12.284,928 1.396,929 15.132,930 4.02,931 9.512,932 11.382,933 1.692,934 18.211,935 9.278,936 13.723,937 1.244,938 16.978,939 3.511,940 10.772,941 12.965,942 5.573,943 20.737,944 10.498,945 3.308,946 1.16,947 18.838,948 3.132,949 11.815,950 14.257,951 2.193,952 23.07,953 11.507,954 3.308,955 11.728,956 20.709,957 3.12,958 13.01,959 15.76,960 6.573,961 25.542,962 12.664,963 2.916,964 11.728,965 22.589,966 4.348,967 14.127,968 17.135,969 2.675,970 27.939,971 13.743,972 2.916,973 9.995,974 24.475,975 4.348,976 15.305,977 18.606,978 7.588,979 30.394,980 14.882,981 2.512,982 9.995,983 26.368,984 3.889,985 16.455,986 20.022,987 3.145,988 32.82,989 15.994,990 2.512,991 8.03,992 28.266,993 3.889,994 17.631,995 21.482,996 8.611,997 35.271,998 17.131,999 2.378,1000 8.03,1001 30.168,1002 3.178,1003 18.799,1004 22.918,1005 3.605,1006 37.712,1007 18.259,1008 45588,1009 78458,1010 34.331,1011 52.898,1012 82.286,1013 83.445,1014 83.217,1015 78.564,1016 78.481,1017 102.017,1018 13.704,1019 234.894,1020 75.668,1021 5.609,1022 5.77,1023 6.81,1024 5.359,1025 5.308,1026 7.348,1027 3.349,1028 19.394,1029 5.183,1030 28.211,1031 1.582,1032 1.605,1033 1.6,1034 1.511,1035 1.509,1036 1.962,1037 0.264,1038 4.517,1039 1.455,1040 4.118,1041 4.155,1042 4.088,1043 3.995,1044 7.437,1045 4.011,1046 4.068,1047 4.105,1048 4.043,1049 3.95,1050 7.431,1051 3.965,1052 3.797,1053 3.823,1054 3.754,1055 3.678,1056 7.427,1057 3.695,1058 3.783,1059 3.807,1060 3.75,1061 3.669,1062 7.426,1063 3.688,1064 3.707,1065 3.764,1066 3.566,1067 3.565,1068 5.452,1069 3.554,1070 3.527,1071 3.586,1072 3.451,1073 3.291,1074 5.442,1075 3.323,1076 3.517,1077 3.582,1078 3.438,1079 3.279,1080 4.924,1081 3.311,1082 3.412,1083 3.454,1084 3.318,1085 3.163,1086 4.898,1087 3.182,1088 0.089,1089 0.072,1090 0.134,1091 0.082,1092 0.064,1093 4.644,1094 0.084,1095 3.77,1096 0.032,1097 6.946,1098 0.226,1099 4.269,1100 0.061,1101 3.308,1102 4.348,1103 1.674,1104 11.728,1105 3.183,1106 1.938,1107 1.919,1108 2.008,1109 2.022,1110 1.317,1111 2.017,1112 1.938,1113 1.919,1114 2.008,1115 2.022,1116 1.138,1117 2.017,1118 1.733,1119 1.684,1120 1.977,1121 1.928,1122 1.138,1123 1.94,1124 1.66,1125 1.621,1126 1.81,1127 1.875,1128 1.029,1129 1.855,1130 1.644,1131 1.592,1132 1.805,1133 1.854,1134 1.027,1135 1.845,1136 1.419,1137 1.38,1138 1.651,1139 1.706,1140 0.905,1141 1.673,1142 1.382,1143 1.347,1144 1.538,1145 1.604,1146 0.621,1147 1.56,1148 1.381,1149 1.343,1150 1.529,1151 1.561,1152 0.619,1153 1.55,1154 4.654,1156 6.004,1157 3.045,1158 7.54,1159 5.533,1160 9.163,1161 7.758,1162 10.84,1164 3.298,1169 2.336,1171 10.988,1174 3.01,1177 11.037,1178 5.082,1179 51.739,1180 124.791,1181 307.839,1182 370.013,1183 385.033,1184 385.033,1185 385.033,1186 118.982,1187 9.651,1188 128.86,1189 128.86,1190 36,1191 13.327,1192 4.858,1193 4.322,1194 74.029,1195 342,1196 282,1197 0.104,1198 314.192,1199 567.52,1200 758.389,1201 332662,1203 33.242,1204 0.707,1205 0.55,1206 33.242,1207 25.856,1208 22.71,1209 0.437,1210 0.287,1211 14.643,1212 21.674,1213 14.298,1214 11.83,1215 22.71,1216 14.911,1217 20.412,1218 0.272,1219 0.15,1220 20.412,1221 11.227,1222 18.463,1223 0.174,1224 0.077,1225 18.463,1226 8.148,1227 15.113,1228 0.106,1229 0.04,1230 15.113,1231 5.672,1232 12.47,1233 0.066,1234 0.021,1235 12.47,1236 3.877,1237 0.174,1238 143.688,1239 0.171,1240 41.824,1241 0.261,1242 254,1243 834.284,1244 283.374,1245 796.631,1246 1080.08,1247 742,1248 308,1249 791.06,1250 340.267,1251 800.03,1252 1181.98,1253 748,1254 8.268}
{0 CHEMBL45198,1 1.585,2 8.429,3 1.962,4 3.85,5 112.272,6 8.402,7 0.531,8 3.949,9 4.05,10 3.681,11 3.617,12 5.065,13 3.574,14 4.471,15 4.621,16 4.064,17 4.021,18 5.534,19 3.964,20 4.716,21 4.888,22 4.179,23 4.202,24 5.747,25 4.132,26 4.83,27 5.002,28 4.227,29 4.264,30 5.901,31 4.176,32 4.847,33 5.015,34 4.271,35 4.285,36 5.948,37 4.216,38 4.91,39 5.102,40 4.22,41 4.285,42 6.03,43 4.182,44 4.861,45 5.062,46 4.116,47 4.201,48 5.94,49 4.067,50 4.707,51 4.946,52 3.774,53 3.943,54 5.72,55 3.775,57 0.663,58 7.769,59 4.016,60 5.673,61 4.836,62 0.146,63 1.144,64 16.857,65 6.946,66 14.083,67 8.419,68 0.121,69 1.405,70 20.926,71 9.118,72 19.691,73 11.319,74 0.303,75 1.574,76 28.983,77 11.362,78 33.951,79 13.303,80 0.122,81 1.571,82 23.72,83 10.506,84 27.063,85 12.854,86 0.322,87 1.708,88 29.916,89 11.794,90 51.89,91 13.892,92 0.27,93 1.631,94 32.329,95 12.213,96 51.232,97 13.812,98 0.391,99 1.456,100 31.102,101 10.643,102 50.373,103 12.757,104 5,105 46,106 0.267,107 0.642,108 0.811,109 0.851,110 0.861,111 0.861,112 3.377,113 0.951,114 -3.64,115 -3.61,116 -3.44,118 47.8,119 1,120 2,124 1,129 1,130 2,131 1,135 3,136 3,138 4,139 1,143 1,149 1,152 1,159 9,161 1,162 12,166 11,169 8,173 10,175 3,176 12,180 13,184 8,187 12,190 2,191 14,195 12,198 3,202 3,203 4,204 6,208 5,215 2,216 1110,217 19.413,218 19.413,219 19.413,220 19.413,221 19.413,222 16.894,223 15.781,224 11.465,225 19.872,226 15.831,227 15.831,228 15.831,229 15.831,230 15.831,231 11.983,232 19.242,233 5.459,234 16.551,235 3.938,236 1.708,237 0.701,238 0.468,239 0.408,240 0.408,241 4.09,245 1,246 1,247 528,248 2.236,251 53.747,252 163.38,253 56.213,256 186.74,258 1.214,259 21.209,262 1,263 1,264 1,265 0.6,266 0.5,267 1,268 1,269 0.87,270 59,271 236,272 4.689,273 3.79,274 7.091,275 4.337,276 3.361,277 4.267,278 1.2,279 12.292,280 3.279,281 4.303,282 3.176,283 6.485,284 3.893,285 2.93,286 3.901,287 0.293,288 10.048,289 2.838,290 4.06,291 2.822,292 6.099,293 3.68,294 2.69,295 3.631,297 8.808,298 2.663,299 3.874,300 2.763,301 5.861,302 3.47,303 2.532,304 3.304,306 8.012,307 2.348,308 3.503,309 2.377,310 5.239,311 3.099,312 2.133,313 2.819,315 6.31,316 2.056,317 3.317,318 2.168,319 4.941,320 2.906,321 1.929,322 2.484,324 5.394,325 1.878,326 2.95,327 1.909,328 4.422,329 2.602,330 1.633,331 2.11,333 4.135,334 1.581,335 2.919,336 1.679,337 4.354,338 2.442,339 1.498,340 2.07,342 3.878,343 1.402,344 2.716,345 1.443,346 3.673,347 2.28,348 1.34,349 1.743,350 3.023,351 1.248,352 2.633,353 1.228,354 3.577,355 2.089,356 1.127,357 1.64,358 2.711,359 1.078,360 2.5,361 1.049,362 3.554,363 1.984,364 1.014,365 1.5,366 2.418,367 0.983,368 2.362,369 1,370 3.286,371 1.975,372 1,373 1.278,374 2.136,375 0.967,376 2.184,377 0.875,378 3.247,379 1.52,380 0.709,381 1.033,382 1.705,383 0.561,384 1.823,385 0.655,386 3.198,387 1.281,388 0.271,389 0.385,390 0.705,391 0.271,392 1.164,393 0.15,394 3.07,395 0.954,396 -0.014,397 -0.016,398 -0.041,399 -0.014,400 13.767,401 0.492,402 0.624,403 0.022,404 39,405 1.393,406 20.5,407 0.732,408 18.5,409 0.661,410 23.792,411 0.85,412 27.633,413 0.601,414 28.319,415 1.011,416 7.406,417 0.264,418 6.314,419 0.226,420 0.061,422 0.356,424 0.668,425 1.167,426 0.678,427 0.879,428 0.532,429 0.831,430 0.792,431 1.023,432 0.831,433 0.872,434 0.601,435 0.815,436 0.951,437 0.94,438 0.755,439 0.821,440 0.833,441 0.864,442 1.006,443 0.997,444 1.102,445 1.135,446 1.233,447 1.03,448 1.141,449 1.108,450 0.789,451 0.946,452 1.258,453 0.979,454 1.292,455 0.964,456 1.071,457 0.988,458 1.366,459 1.022,460 1.44,461 1.099,462 1.31,463 1.153,464 1.549,465 1.101,466 0.974,467 1.015,468 1.392,469 1.246,470 0.995,471 1.171,472 4,473 0.037,474 3.111,475 2.222,476 2.019,477 1.403,478 0.64,479 0.428,480 0.226,481 0.115,482 8654,483 22814,484 2.2,485 39.1,486 2,487 6,488 1,489 4,491 3,492 2,494 1.722,495 2.1,496 3.023,497 -0.778,498 1,499 1,502 72.918,503 1.585,504 3.816,505 4.822,506 5.056,507 5.116,508 5.116,509 2.481,510 4.593,511 4.779,512 3.165,513 1196.2,514 8.377,515 14852.4,517 1,519 1,520 254.084,521 1.264,522 4.757,523 0.125,524 0.007,525 0.068,526 0.043,527 0.039,528 0.025,529 0.013,530 0.01,531 0.008,532 0.008,533 0.346,534 0.5,535 0.88,536 0.444,537 134.994,539 -0.153,540 0.073,541 -0.007,543 0.011,544 0.048,545 0.019,546 0.053,547 0.05,548 0.033,549 0.072,550 -0.07,551 0.044,552 0.051,553 0.064,554 -0.019,555 0.054,556 0.081,557 -0.021,558 -0.089,559 -0.126,560 -0.023,561 -0.079,562 -0.063,563 -0.151,564 0.011,565 -0.067,566 -0.042,567 -0.065,568 -0.089,569 0.03,570 -0.094,571 -0.02,572 -0.031,573 -0.077,574 -0.212,575 -0.102,576 -0.148,577 -0.073,578 -0.147,579 -0.115,580 0.069,581 0.005,582 -0.172,583 -0.145,584 -0.02,585 -0.143,586 1.654,587 6.466,588 0.929,589 20.735,590 1,591 1.109,592 2.409,593 5.803,594 0.727,595 3.497,596 3.85,597 4.205,598 4.554,599 4.86,600 5.056,601 5.263,602 5.442,603 5.583,604 5.673,605 5.225,606 0.689,607 386.51,608 3.497,609 5.056,610 5.943,611 6.851,612 7.761,613 8.681,614 9.6,615 10.525,616 11.45,617 12.378,618 8.7,623 1,626 3,632 8,633 3,636 1,637 5,639 17,650 46,652 20,654 32,656 50,657 22,658 13,661 5,663 5,664 8,667 1,670 2,672 2,674 18,675 4,677 3,680 1,681 1,683 4,685 1,687 18,688 5,690 6,691 1,694 4,696 0.6,697 1,702 2,708 1,709 3,710 1,713 2,720 1,722 2,723 2,728 3,730 1,732 1,735 28,739 3,744 1,749 1,755 2.2,758 1,762 13.333,763 8.883,764 6.056,765 2.872,766 3.277,767 1.407,768 1.047,769 4.311,770 11.33,771 3.795,772 4.41,773 5.046,774 5.656,775 6.197,776 6.563,777 7.045,778 7.494,779 7.907,780 8.247,781 0.833,782 52,783 10.369,784 4.526,785 7.619,786 20.048,787 17.035,788 2.119,789 59.333,793 211.88,794 156.097,795 53.481,797 25.145,799 31.278,800 124.819,801 237.025,802 53.481,803 8.825,804 10.299,805 45.554,806 130.977,807 54.874,808 11.771,809 184.302,811 211.88,812 178.3,813 25.145,814 31.278,816 188.338,817 48.687,819 59,820 56.71,821 62.59,822 31.278,823 211.88,824 78.626,825 156.097,827 211.88,828 65.528,829 93.693,831 75.502,832 211.88,833 78.626,834 156.097,835 0.583,836 0.354,837 0.208,838 0.121,839 25,840 10,841 0.04,842 2,843 2,844 1.154,845 3.805,846 274.582,847 0.154,848 26,849 130.606,850 1,852 17.304,853 6.977,854 2.99,856 78.626,857 15.281,858 13.079,861 1.513,862 4.993,865 446.603,866 43.5,869 13.466,870 1.99,872 2.62,873 45.996,874 51.029,876 0.287,877 0.691,878 0.873,879 0.915,880 0.926,881 0.926,882 5.045,883 1.498,884 5.932,885 4.135,886 4.533,887 5.097,888 1.356,889 6.804,890 4.456,891 6.26,892 1.34,893 7.52,894 3.878,895 4.111,896 4.808,897 0.325,898 7.818,899 4.033,900 7.579,901 1.127,902 9.215,903 3.023,904 6.168,905 7.285,906 1.511,907 11.004,908 6.034,909 8.936,910 1.014,911 10.976,912 2.711,913 6.621,914 7.858,915 0.653,916 12.888,917 6.483,918 10.328,919 1,920 12.779,921 2.418,922 8.119,923 9.754,924 1.739,925 15.594,926 7.939,927 11.747,928 0.709,929 14.612,930 2.136,931 8.972,932 10.737,933 1.001,934 17.828,935 8.781,936 13.185,937 0.271,938 16.466,939 1.705,940 10.259,941 12.381,942 1.993,943 20.384,944 10.037,945 3.361,946 -0.014,947 18.336,948 0.705,949 11.296,950 13.572,951 1.37,952 22.766,953 11.056,954 2.93,955 12.292,956 20.218,957 -0.041,958 12.509,959 15.099,960 2.264,961 25.276,962 12.242,963 2.69,964 10.048,965 22.109,966 4.267,967 13.629,968 16.399,969 1.754,970 27.723,971 13.342,972 2.532,973 8.808,974 24.01,975 3.901,976 14.82,977 17.871,978 2.551,979 30.222,980 14.508,981 2.133,982 8.012,983 25.916,984 3.631,985 15.98,986 19.231,987 2.143,988 32.699,989 15.645,990 1.929,991 6.31,992 27.829,993 3.304,994 17.168,995 20.678,996 2.851,997 35.197,998 16.809,999 1.633,1000 5.394,1001 29.747,1002 2.819,1003 18.348,1004 22.071,1005 2.535,1006 37.689,1007 17.966,1008 8034,1009 13187,1010 22.076,1011 33.455,1012 49.603,1013 49.532,1014 49.944,1015 48.252,1016 48.331,1017 64.327,1018 2.986,1019 143.147,1020 46.308,1021 5.63,1022 5.79,1023 6.893,1024 5.424,1025 5.361,1026 7.267,1027 2.293,1028 20.014,1029 5.249,1030 9.341,1031 1.55,1032 1.548,1033 1.561,1034 1.508,1035 1.51,1036 2.01,1037 0.093,1038 4.473,1039 1.447,1040 4.076,1041 4.102,1042 4.242,1043 4.009,1044 7.428,1045 4.004,1046 3.858,1047 3.888,1048 3.985,1049 3.831,1050 4.947,1051 3.783,1052 3.82,1053 3.854,1054 3.772,1055 3.735,1056 4.861,1057 3.73,1058 3.61,1059 3.656,1060 3.586,1061 3.47,1062 4.823,1063 3.477,1064 3.448,1065 3.51,1066 3.3,1067 3.315,1068 4.371,1069 3.302,1070 3.073,1071 3.132,1072 3.02,1073 2.974,1074 4.042,1075 2.96,1076 3.002,1077 3.056,1078 2.971,1079 2.806,1080 3.78,1081 2.799,1082 2.881,1083 2.948,1084 2.827,1085 2.752,1086 3.719,1087 2.715,1088 0.147,1089 0.118,1090 0.222,1091 0.136,1092 0.105,1093 4.689,1094 0.133,1095 3.79,1096 0.037,1097 7.091,1098 0.384,1099 4.337,1100 0.102,1101 3.361,1102 4.267,1103 1.2,1104 12.292,1105 3.279,1106 1.974,1107 1.953,1108 2.037,1109 2.064,1110 1.271,1111 2.057,1112 1.832,1113 1.796,1114 1.972,1115 1.954,1116 1.204,1117 1.962,1118 1.699,1119 1.663,1120 1.832,1121 1.863,1122 0.924,1123 1.856,1124 1.53,1125 1.483,1126 1.746,1127 1.702,1128 0.831,1129 1.72,1130 1.479,1131 1.434,1132 1.624,1133 1.609,1134 0.769,1135 1.635,1136 1.155,1137 1.133,1138 1.266,1139 1.258,1140 0.448,1141 1.29,1142 0.936,1143 0.881,1144 1.181,1145 1.156,1146 0.386,1147 1.175,1148 0.886,1149 0.826,1150 1.172,1151 1.062,1152 0.23,1153 1.107,1154 4.174,1156 5.517,1157 2.398,1158 7.064,1159 4.727,1160 8.709,1161 6.804,1162 10.412,1164 1.951,1169 2.527,1174 1.912,1179 31.675,1180 72.918,1181 175.515,1182 221.819,1183 232.574,1184 235.329,1185 235.329,1186 39.208,1187 8.053,1188 60.67,1189 88.91,1190 30,1191 12.882,1192 4.392,1193 3.644,1194 37.13,1195 87,1196 95,1197 0.213,1198 194.938,1199 336.92,1200 467.409,1201 33740,1203 19.087,1204 0.682,1205 0.58,1206 19.441,1207 16.239,1208 13.72,1209 0.429,1210 0.317,1211 9.25,1212 12.896,1213 8.93,1214 7.375,1215 14.174,1216 10.141,1217 12.379,1218 0.269,1219 0.17,1220 12.93,1221 7.801,1222 11.055,1223 0.167,1224 0.093,1225 11.804,1226 6.118,1227 9.81,1228 0.104,1229 0.049,1230 10.582,1231 4.64,1232 8.391,1233 0.066,1234 0.026,1235 8.903,1236 3.293,1237 0.315,1238 89.386,1239 0.213,1240 25.659,1241 0.651,1242 156,1243 419.176,1244 188.63,1245 435.085,1246 609.66,1247 410,1248 190,1249 445.6,1250 220.973,1251 469.907,1252 694.38,1253 443,1254 7.478}
{0 CHEMBL453066,1 1.595,2 6.882,3 2.457,4 6.035,5 62.471,6 8.38,7 0.789,8 3.44,9 3.533,10 3.114,11 3.022,12 4.655,13 3.032,14 3.918,15 4.042,16 3.471,17 3.389,18 5.155,19 3.389,20 4.039,21 4.189,22 3.503,23 3.465,24 5.298,25 3.44,26 4.077,27 4.252,28 3.296,29 3.357,30 5.258,31 3.313,32 3.87,33 4.066,34 3.045,35 3.123,36 4.988,37 3.066,38 3.738,39 3.948,40 2.915,41 2.876,42 4.942,43 2.827,44 3.448,45 3.656,46 2.48,47 2.477,48 4.67,49 2.447,50 3.109,51 3.289,52 1.969,53 2.168,54 4.32,55 2.098,56 0.045,57 0.382,58 4.196,59 2.263,60 4.153,61 2.501,62 0.234,63 0.601,64 8.328,65 3.695,66 20.482,67 4.15,68 0.208,69 0.699,70 9.398,71 4.259,72 18.67,73 5.186,74 0.232,75 0.681,76 11.256,77 4.492,78 31.068,79 5.12,80 0.165,81 0.55,82 9.542,83 3.765,84 19.268,85 4.582,86 0.196,87 0.467,88 8.843,89 3.328,90 17.275,91 4.321,92 0.174,93 0.32,94 7.244,95 2.435,96 21.495,97 2.726,98 0.142,99 0.229,100 4.656,101 1.58,102 15.548,103 1.538,104 7,105 27,106 0.305,107 0.655,108 0.765,109 0.862,110 0.876,111 0.876,112 2.91,113 0.828,114 -2.44,115 -2.47,116 -2.42,118 48.1,123 1,135 5,136 2,138 1,139 1,144 2,149 1,159 6,161 1,162 1,165 3,166 6,168 2,169 3,170 1,172 3,173 5,176 3,179 1,180 3,184 4,187 1,191 4,193 2,198 4,204 2,216 272,217 11.732,218 11.732,219 11.732,220 11.732,221 11.732,222 9.978,223 3.264,224 6.826,225 11.995,226 9.314,227 9.314,228 9.314,229 9.314,230 9.314,231 6.552,232 2.098,233 3.151,234 9.611,235 3.16,236 1.329,237 0.754,238 0.25,239 0.176,240 0.176,241 3.588,245 1,246 1,247 254,248 2.55,251 22.387,252 63.387,254 90.543,258 1.08,259 14.812,262 1,263 1,264 1,265 0.4,267 1,268 1,269 0.77,270 37,271 117,272 4.713,273 3.654,274 6.766,275 4.203,276 3.221,277 4.809,278 1.674,279 11.137,280 3.163,281 4.099,282 3.191,283 6.013,284 3.7,285 2.725,286 3.666,288 8.525,289 2.644,290 3.672,291 2.322,292 5.532,293 3.181,294 2.197,295 3.154,297 6.93,298 2.157,299 3.263,300 1.852,301 4.882,302 2.731,303 1.764,304 2.639,306 5.321,307 1.702,308 2.941,309 1.725,310 4.133,311 2.426,312 1.462,313 2.13,315 3.503,316 1.409,317 2.813,318 1.461,319 3.79,320 2.304,321 1.342,322 1.887,324 3.06,325 1.273,326 2.5,327 1.388,328 3.589,329 1.979,330 1,331 1.5,333 2.537,334 0.977,335 1.864,336 1,337 3.058,338 1.345,339 0.418,340 0.58,342 0.951,343 0.385,344 1.469,345 0.411,346 2.579,347 1.092,348 0.15,349 0.189,350 0.217,351 0.138,352 0.928,353 -0.16,354 2.372,355 0.407,356 -0.58,357 -0.853,358 -1.448,359 -0.564,360 0.803,361 -0.573,362 2.14,363 0.285,364 -0.697,365 -1.045,366 -1.852,367 -0.682,368 0.5,369 -0.697,370 2,371 -0.013,372 -1,373 -1.5,374 -2.824,375 -0.987,376 0.378,377 -1,378 1.823,379 -0.115,380 -1.112,381 -1.608,382 -2.879,383 -1.1,384 -0.017,385 -1.098,386 1.45,387 -0.416,388 -1.37,389 -1.74,390 -3.203,391 -1.264,392 -0.344,393 -1.565,394 1.259,395 -0.774,396 -1.702,397 -2.16,398 -5.139,399 -1.615,400 7.967,401 0.469,402 0.38,403 0.022,404 24.75,405 1.456,406 13.5,407 0.794,408 11.25,409 0.662,410 9.177,411 0.54,412 17.233,413 0.638,414 15.612,415 0.918,416 5.143,417 0.303,418 3.149,419 0.185,420 0.105,422 0.377,424 0.766,425 1.149,426 0.663,427 0.959,428 0.581,429 0.816,430 0.877,431 1.022,432 0.766,433 0.791,434 0.599,435 0.762,436 0.569,437 1.006,438 0.84,439 1.011,440 0.585,441 0.986,442 1.237,443 1.083,444 1.18,445 1.06,446 1.449,447 1.097,448 1.014,449 1.033,450 1.068,451 1.067,452 1.014,453 1.069,454 0.762,455 1.064,456 0.9,457 1.144,458 0.876,459 1.072,460 1.793,461 0.88,462 1.2,463 0.951,464 1.76,465 0.957,466 2.174,467 0.957,468 1.837,469 1.19,470 2.111,471 1.392,472 3,474 2.222,475 1.326,476 0.626,477 0.549,478 0.294,479 0.107,480 0.053,481 0.016,482 2233,483 6777,484 2.127,485 37,487 8,489 1,490 1,494 1.572,495 2,496 2.821,497 -0.256,501 1,502 43.057,503 1.595,504 3.426,505 4.001,506 4.505,507 4.579,508 4.579,509 2.278,510 3.735,511 4.059,512 2.868,513 390.076,514 6.877,515 3390.6,517 1,519 1,520 128.382,521 1.379,522 4.023,523 0.158,525 0.082,526 0.049,527 0.03,528 0.034,529 0.023,530 0.013,531 0.013,532 0.016,533 0.418,534 0.83,535 1,536 1.085,537 68.697,538 -0.065,539 -0.102,540 0.042,541 -0.035,542 -0.07,543 0.017,544 0.055,545 -0.003,546 0.055,547 0.146,548 0.062,549 0.108,550 0.17,551 0.036,552 -0.01,553 -0.084,554 0.155,555 -0.09,556 -0.226,557 -0.11,558 -0.241,559 -0.112,560 -0.227,561 -0.166,562 -0.119,563 -0.074,564 -0.094,565 -0.104,566 -0.123,567 -0.089,568 0.25,569 -0.127,570 0.151,571 -0.177,572 0.141,573 -0.066,574 -0.287,575 0.002,576 -0.054,577 0.03,578 -0.137,579 0.04,580 -0.56,581 -0.026,582 -0.767,583 -0.255,584 -0.426,585 -0.489,586 2.086,587 4.42,588 0.765,589 9.882,590 1.015,591 1.114,592 1.215,593 1.475,594 0.702,595 2.996,596 3.332,597 3.664,598 3.951,599 4.205,600 4.304,601 4.454,602 4.543,603 4.357,604 4.234,605 4.115,606 0.688,607 226.25,608 2.996,609 4.533,610 5.407,611 6.301,612 7.198,613 8.102,614 9.007,615 9.915,616 10.824,617 11.734,618 7.4,624 1,626 1,631 4,632 6,633 1,634 1,637 1,639 15,643 1,650 27,652 16,653 1,654 19,656 29,657 13,658 11,659 2,660 4,661 1,663 3,664 6,674 12,675 1,677 1,680 1,683 1,685 1,687 10,688 3,689 1,690 4,694 2,696 0.333,697 2,702 1,704 1,708 1,709 2,711 2,728 1,732 1,735 17,741 1,755 7.4,758 1,760 1,762 8.5,763 5.283,764 3.778,765 1.492,766 3.327,767 1.504,768 1.032,769 2.251,770 9.928,771 3.35,772 4.047,773 4.777,774 5.482,775 6.134,776 6.597,777 7.122,778 7.597,779 7.744,780 7.992,781 0.8,782 27,783 6.234,784 2.666,785 7.853,786 11.72,787 9.559,788 2.353,789 40,790 0.001,793 105.94,794 86.694,795 33.571,797 36.145,800 86.694,801 142.085,802 33.571,803 10.883,805 47.381,806 60.893,807 44.736,808 4.288,809 94.169,811 105.94,812 120.265,813 36.145,816 105.94,817 36.145,819 28.59,820 74.89,821 16.786,823 105.94,824 69.716,825 86.694,827 105.94,828 19.382,829 67.312,830 16.786,831 52.93,832 105.94,833 69.716,834 86.694,835 0.58,836 0.357,837 0.193,838 0.107,839 15,840 6,841 0.069,842 2,843 2,844 1.308,845 2.934,846 124.878,847 0.308,848 13,849 69.487,852 10.149,853 3.771,854 1.548,855 4.01,856 52.93,857 11.337,858 4.067,859 3.248,862 0.324,864 16.786,865 262.35,866 27.5,869 11.42,872 -0.419,873 27.393,874 30.076,876 0.335,877 0.721,878 0.841,879 0.947,880 0.963,881 0.963,882 4.562,883 0.418,884 5.398,885 2.537,886 4.007,887 4.732,888 1.888,889 6.248,890 3.952,891 5.807,892 0.15,893 6.98,894 0.951,895 3.611,896 4.677,898 7.222,899 3.554,900 7.144,901 -0.58,902 8.664,903 0.217,904 5.631,905 7.12,906 2.817,907 10.35,908 5.534,909 8.526,910 -0.697,911 10.409,912 -1.448,913 6.089,914 7.945,916 12.171,917 5.985,918 9.943,919 -1,920 12.191,921 -1.852,922 7.573,923 9.847,924 3.808,925 14.812,926 7.441,927 11.386,928 -1.112,929 13.999,930 -2.824,931 8.42,932 11.084,934 16.979,935 8.276,936 12.849,937 -1.37,938 15.826,939 -2.879,940 9.695,941 12.775,942 4.825,943 19.458,944 9.529,945 3.221,946 -1.702,947 17.667,948 -3.203,949 10.717,950 14.201,952 21.767,953 10.536,954 2.725,955 11.137,956 19.519,957 -5.139,958 11.913,959 15.811,960 5.851,961 24.194,962 11.713,963 2.197,964 8.525,965 21.38,966 4.809,967 13.011,968 17.319,970 26.561,971 12.795,972 1.764,973 6.93,974 23.247,975 3.666,976 14.18,977 18.9,978 6.88,979 28.972,980 13.947,981 1.462,982 5.321,983 25.121,984 3.154,985 15.313,986 20.443,988 31.363,989 15.063,990 1.342,991 3.503,992 27,993 2.639,994 16.474,995 22.016,996 7.91,997 33.771,998 16.207,999 1,1000 3.06,1001 28.883,1002 2.13,1003 17.622,1004 23.574,1006 36.172,1007 17.338,1008 2219,1009 3941,1010 12.83,1011 18.966,1012 28.617,1013 30.104,1014 30.054,1015 28.49,1016 28.558,1017 41.107,1018 3.349,1019 84.363,1020 27.694,1021 5.413,1022 5.654,1023 6.447,1024 5.245,1025 5.221,1026 7.809,1027 3.349,1028 18.151,1029 5.163,1030 6.832,1031 1.506,1032 1.584,1033 1.582,1034 1.499,1035 1.503,1036 2.164,1037 0.176,1038 4.44,1039 1.458,1040 4.208,1041 4.238,1042 4.179,1043 4.126,1044 7.433,1045 4.135,1046 3.706,1047 3.732,1048 3.66,1049 3.59,1050 5.074,1051 3.599,1052 3.426,1053 3.453,1054 3.347,1055 3.186,1056 4.641,1057 3.223,1058 3.136,1059 3.218,1060 2.986,1061 2.904,1062 4.466,1063 2.909,1064 2.954,1065 3.009,1066 2.847,1067 2.816,1068 4.121,1069 2.814,1070 2.838,1071 2.894,1072 2.688,1073 2.671,1074 3.842,1075 2.664,1076 2.619,1077 2.673,1078 2.462,1079 2.367,1080 3.532,1081 2.388,1082 2.19,1083 2.296,1084 2.06,1085 1.945,1086 3.054,1087 1.971,1088 0.248,1089 0.192,1090 0.356,1091 0.221,1092 0.17,1093 4.713,1094 0.253,1095 3.654,1096 0.088,1097 6.766,1098 0.586,1099 4.203,1100 0.166,1101 3.221,1102 4.809,1103 1.674,1104 11.137,1105 3.163,1106 1.974,1107 1.956,1108 2.051,1109 2.04,1110 1.197,1111 2.042,1112 1.834,1113 1.797,1114 1.916,1115 1.993,1116 0.985,1117 1.975,1118 1.316,1119 1.291,1120 1.598,1121 1.632,1122 0.585,1123 1.607,1124 1.119,1125 1.049,1126 1.339,1127 1.361,1128 0.389,1129 1.366,1130 0.962,1131 0.909,1132 1.155,1133 1.139,1134 0.211,1135 1.14,1136 0.826,1137 0.772,1138 1.036,1139 1.04,1140 0.12,1141 1.047,1142 0.558,1143 0.474,1144 0.875,1145 0.825,1147 0.855,1148 0.333,1149 0.287,1150 0.62,1151 0.662,1153 0.653,1154 3.664,1156 4.99,1157 2.398,1158 6.532,1159 4.844,1160 8.167,1161 7.05,1162 9.85,1164 1.351,1171 4.662,1179 18.58,1180 43.057,1181 92.508,1182 108.017,1183 121.627,1184 123.627,1185 123.627,1186 19.062,1187 6.601,1188 54.98,1189 54.98,1190 17,1191 12.25,1192 4.087,1193 3.248,1194 23.653,1195 42,1196 43,1197 0.297,1198 114.38,1199 184.78,1200 270.847,1201 5303,1203 11.828,1204 0.696,1205 0.543,1206 11.828,1207 9.228,1208 8.292,1209 0.436,1210 0.276,1211 5.153,1212 7.946,1213 5.022,1214 4.179,1215 8.292,1216 5.242,1217 7.327,1218 0.271,1219 0.14,1220 7.327,1221 3.777,1222 6.661,1223 0.175,1224 0.073,1225 6.661,1226 2.785,1227 5.451,1228 0.107,1229 0.039,1230 5.451,1231 1.966,1232 4.553,1233 0.069,1234 0.02,1235 4.553,1236 1.342,1237 0.439,1238 52.307,1239 0.279,1240 16.702,1241 0.889,1242 92,1243 293.449,1244 100.978,1245 281.514,1246 386.69,1247 264,1248 111,1249 284.9,1250 120.119,1251 290.714,1252 426.99,1253 272,1254 7.237}
{0 CHEMBL453251,1 1.837,2 8.048,3 2.082,4 4.334,5 75.742,6 9.265,7 0.478,8 3.642,9 3.733,10 3.389,11 3.162,12 4.86,13 3.185,14 4.166,15 4.314,16 3.81,17 3.546,18 5.426,19 3.564,20 4.321,21 4.456,22 3.929,23 3.675,24 5.637,25 3.689,26 4.389,27 4.515,28 3.938,29 3.678,30 5.798,31 3.699,32 4.374,33 4.521,34 3.831,35 3.552,36 5.813,37 3.555,38 4.236,39 4.426,40 3.514,41 3.34,42 5.647,43 3.294,44 3.961,45 4.155,46 3.157,47 3.131,48 5.136,49 3.024,50 3.793,51 4.036,52 2.649,53 2.824,54 4.872,55 2.686,56 0.12,57 0.492,58 4.141,59 2.694,60 7.027,61 2.91,62 0.452,63 0.779,64 11.042,65 4.442,66 26.488,67 5.01,68 0.467,69 0.866,70 14.792,71 5.589,72 37.067,73 6.163,74 0.633,75 0.908,76 13.758,77 5.306,78 44.749,79 5.344,80 0.618,81 0.839,82 14.942,83 5.446,84 61.541,85 5.615,86 0.692,87 0.674,88 15.575,89 4.985,90 82.322,91 5.351,92 0.388,93 0.488,94 16.056,95 4.423,96 28.996,97 5.091,98 0.341,99 0.395,100 11.744,101 4.052,102 40.724,103 5.022,104 29,105 34,106 0.34,107 0.715,108 0.841,109 0.868,110 0.868,111 0.868,112 3.105,113 0.88,114 -3.56,115 -3.54,116 -3.37,118 42.4,119 1,123 1,124 1,135 3,136 1,137 2,139 1,145 1,149 2,151 1,159 2,161 4,162 5,166 4,168 3,169 4,173 4,175 5,176 5,183 1,184 8,190 2,191 6,198 5,204 1,208 2,211 2,215 2,216 480,217 13.991,218 13.991,219 13.991,220 13.991,221 13.991,222 12.521,223 18.36,224 8.025,225 14.547,226 11.256,227 11.256,228 11.256,229 11.256,230 11.256,231 8.8,232 19.439,233 3.676,234 12.075,235 3.207,236 1.174,237 0.493,238 0.349,239 0.349,240 0.349,241 3.777,243 1,244 1,245 1,246 1,247 357,248 3,251 33.567,252 79.194,254 59.239,255 67.036,258 1.297,259 29.522,261 1,262 1,263 1,264 1,265 0.4,267 1,268 1,269 0.77,270 46.833,271 169,272 4.712,273 3.834,274 7.128,275 4.347,276 3.396,277 4.4,278 1.674,279 12.365,280 3.231,281 4.221,282 3.638,283 6.429,284 3.825,285 2.847,286 3.826,287 1.2,288 9.816,289 2.772,290 3.715,291 3.03,292 5.928,293 3.369,294 2.421,295 3.026,296 0.293,297 7.916,298 2.288,299 3.662,300 2.924,301 5.631,302 3.243,303 2.316,304 2.941,306 7.11,307 2.123,308 3.333,309 2.513,310 4.966,311 2.908,312 2.005,313 2.54,315 5.718,316 1.723,317 2.769,318 1.832,319 4.308,320 2.342,321 1.419,322 1.854,324 3.636,325 1.303,326 2.504,327 1.75,328 4.086,329 2.087,330 1.156,331 1.492,333 2.948,334 1.058,335 2.463,336 1.49,337 3.855,338 1.914,339 0.94,340 1.381,342 2.474,343 0.907,344 2.059,345 1.157,346 3.229,347 1.717,348 0.737,349 0.914,350 1.318,351 0.705,352 1.785,353 0.812,354 2.984,355 1.338,356 0.347,357 0.46,358 0.816,359 0.339,360 1.195,361 0.398,362 2.649,363 0.742,364 -0.131,365 -0.163,366 -0.321,367 -0.095,368 0.689,369 0.248,370 2.362,371 0.396,372 -0.576,373 -0.643,374 -0.89,375 -0.53,376 0.674,377 -0.276,378 2,379 0.21,380 -0.766,381 -0.987,382 -2.086,383 -0.65,384 0.411,385 -0.519,386 2,387 0.068,388 -0.874,389 -1.135,390 -2.385,391 -0.844,392 0.105,393 -0.822,394 1.899,395 -0.322,396 -1.216,397 -1.542,398 -3.214,399 -1.035,400 9.914,401 0.472,402 0.631,403 0.03,404 28.25,405 1.345,406 13.5,407 0.643,408 14.75,409 0.702,410 15.16,411 0.722,412 22.486,413 0.681,414 20.869,415 0.994,416 5.665,417 0.27,418 4.376,419 0.208,420 0.24,422 0.434,424 0.713,425 1.571,426 0.529,427 1.073,428 0.547,429 0.902,430 0.767,431 0.889,432 0.572,433 0.625,434 0.544,435 0.611,436 0.956,437 1.145,438 0.851,439 0.945,440 0.813,441 0.824,442 1.176,443 1.06,444 0.905,445 0.9,446 1.503,447 0.927,448 1.16,449 1.21,450 0.906,451 1.205,452 1.374,453 1.174,454 1.298,455 0.815,456 1.018,457 0.764,458 1.16,459 0.948,460 1.152,461 0.914,462 1.729,463 1.376,464 0.89,465 1.361,466 1.046,467 0.815,468 0.822,469 0.94,470 1.219,471 1.074,472 4,473 0.029,474 3.111,475 1.965,476 2.135,477 1.008,478 0.526,479 0.206,480 0.123,481 0.046,482 3588,483 13175,484 2.018,485 36.4,487 8,489 1,492 3,494 1.639,495 1.826,496 2.955,497 -0.657,499 1,501 1,502 60.633,503 1.837,504 3.87,505 4.552,506 4.696,507 4.696,508 4.696,509 2.506,510 4.202,511 4.358,512 3.037,513 637.77,514 7.508,515 6374.28,516 1,517 1,519 1,520 166.465,521 1.545,522 4.289,523 0.174,524 0.014,525 0.092,526 0.052,527 0.058,528 0.035,529 0.026,530 0.016,531 0.015,532 0.009,533 0.491,534 0.5,535 1,536 1.33,537 91.766,538 -0.066,539 -0.413,540 0.028,541 -0.174,542 -0.056,543 -0.069,544 0.084,545 0.228,546 0.148,547 0.27,548 0.075,549 0.263,550 -0.038,551 -0.095,552 0.011,553 -0.003,554 0.012,555 0.074,556 -0.089,557 0.028,558 -0.144,559 -0.016,560 -0.2,561 -0.107,562 -0.072,563 -0.199,564 -0.083,565 -0.298,566 -0.098,567 -0.293,568 -0.113,569 0.123,570 -0.057,571 0.177,572 0.053,573 0.007,574 -0.184,575 -0.026,576 -0.359,577 -0.319,578 -0.07,579 -0.313,580 -0.075,581 -0.047,582 0.109,583 0.091,584 -0.117,585 0.077,586 2.219,587 5.436,588 0.619,589 14.517,590 1.031,591 1.126,592 2.335,593 5.451,594 0.698,595 3.178,596 3.555,597 3.912,598 4.248,599 4.522,600 4.673,601 4.779,602 4.905,603 4.898,604 4.718,605 4.584,606 0.687,607 305.74,608 3.178,609 4.745,610 5.638,611 6.561,612 7.482,613 8.413,614 9.344,615 10.279,616 11.214,617 12.151,618 9.1,623 1,624 1,626 1,632 4,633 1,637 5,638 1,639 11,642 1,643 1,649 1,650 33,652 13,653 1,654 23,656 35,657 14,658 9,659 3,660 3,661 2,663 3,664 6,665 1,667 1,674 11,675 3,677 2,680 2,683 2,684 1,685 1,687 12,688 5,690 7,691 1,692 1,694 3,696 0.333,697 3,708 1,709 2,711 1,712 1,728 1,732 2,733 1,735 21,739 1,741 1,744 1,754 1,755 9.1,758 2,760 1,762 11.5,763 6.826,764 4.639,765 2.022,766 2.414,767 1.343,768 0.977,769 3.472,770 9.451,771 3.45,772 4.073,773 4.724,774 5.346,775 5.864,776 6.26,777 6.637,778 7.005,779 7.308,780 7.412,781 0.833,782 38,783 7.763,784 3.381,785 8.061,786 14.257,787 11.533,788 2.561,789 53.778,793 141.253,794 85.285,795 21.809,796 39.149,797 61.29,800 85.285,801 241.692,802 21.809,803 17.222,804 7.717,805 28.429,806 99.361,807 27.427,809 129.482,810 39.149,811 141.253,812 107.094,813 61.29,814 39.149,816 105.94,817 96.603,819 32.144,820 58.164,821 55.934,823 141.253,824 83.099,825 124.434,827 141.253,828 31.016,829 59.292,831 117.224,832 141.253,833 83.099,834 124.434,835 0.589,836 0.366,837 0.209,838 0.12,839 18,840 9,841 0.086,842 3,843 2,844 1.308,845 3.124,846 172.764,847 0.308,848 13,849 92.239,852 14.108,853 5.168,854 2.131,856 81.2,857 6.509,858 4.084,862 2.095,863 1.68,865 348.785,866 30.5,869 24.375,872 -0.797,873 34.029,874 37.143,876 0.364,877 0.767,878 0.902,879 0.931,880 0.931,881 0.931,882 4.716,883 0.94,884 5.666,885 2.948,886 4.234,887 4.758,888 2.25,889 6.581,890 4.113,891 5.954,892 0.737,893 7.295,894 2.474,895 4.007,896 4.718,897 0.325,898 7.684,899 3.83,900 7.294,901 0.347,902 9.026,903 1.318,904 5.922,905 6.992,906 3.008,907 10.864,908 5.708,909 8.674,910 -0.131,911 10.815,912 0.816,913 6.509,914 7.775,915 0.653,916 12.783,917 6.252,918 10.087,919 -0.576,920 12.641,921 -0.321,922 7.937,923 9.545,924 3.907,925 15.511,926 7.642,927 11.525,928 -0.766,929 14.492,930 -0.89,931 8.876,932 10.692,933 1.001,934 17.766,935 8.537,936 12.981,937 -0.874,938 16.361,939 -2.086,940 10.142,941 12.276,942 4.874,943 20.346,944 9.762,945 3.396,946 -1.216,947 18.245,948 -2.385,949 11.234,950 13.591,951 1.37,952 22.745,953 10.807,954 2.847,955 12.365,956 20.141,957 -3.214,958 12.452,959 15.102,960 5.875,961 25.276,962 11.979,963 2.421,964 9.816,965 22.045,966 4.4,967 13.611,968 16.498,969 1.754,970 27.737,971 13.088,972 2.316,973 7.916,974 23.958,975 3.826,976 14.817,977 17.981,978 6.892,979 30.252,980 14.246,981 2.005,982 7.11,983 25.876,984 3.026,985 16.006,986 19.415,987 2.143,988 32.741,989 15.384,990 1.419,991 5.718,992 27.801,993 2.941,994 17.214,995 20.889,996 7.916,997 35.252,998 16.541,999 1.156,1000 3.636,1001 29.73,1002 2.54,1003 18.417,1004 22.342,1005 2.535,1006 37.754,1007 17.693,1008 3647,1009 7080,1010 14.74,1011 23.046,1012 35.921,1013 37.543,1014 37.954,1015 35.396,1016 35.167,1017 45.665,1018 6.334,1019 108.238,1020 32.898,1021 5.602,1022 5.834,1023 6.897,1024 5.419,1025 5.396,1026 7.4,1027 3.349,1028 20.365,1029 5.231,1030 12.166,1031 1.562,1032 1.632,1033 1.65,1034 1.539,1035 1.529,1036 1.985,1037 0.275,1038 4.706,1039 1.43,1040 4.097,1041 4.135,1042 4.114,1043 3.965,1044 7.434,1045 3.984,1046 3.742,1047 3.762,1048 3.846,1049 3.613,1050 7.426,1051 3.633,1052 3.512,1053 3.57,1054 3.471,1055 3.282,1056 4.98,1057 3.287,1058 3.381,1059 3.446,1060 3.301,1061 3.138,1062 4.821,1063 3.165,1064 3.095,1065 3.111,1066 3.173,1067 2.871,1068 4.443,1069 2.891,1070 2.984,1071 3.037,1072 2.937,1073 2.788,1074 4.215,1075 2.779,1076 2.788,1077 2.826,1078 2.774,1079 2.626,1080 4.004,1081 2.636,1082 2.484,1083 2.554,1084 2.398,1085 2.227,1086 3.624,1087 2.25,1088 0.205,1089 0.167,1090 0.31,1091 0.189,1092 0.148,1093 4.712,1094 0.191,1095 3.834,1096 0.073,1097 7.128,1098 0.538,1099 4.347,1100 0.14,1101 3.396,1102 4.4,1103 1.674,1104 12.365,1105 3.231,1106 1.951,1107 1.93,1108 2.004,1109 2.072,1110 1.162,1111 2.054,1112 1.567,1113 1.539,1114 1.808,1115 1.801,1116 0.94,1117 1.79,1118 1.454,1119 1.388,1120 1.675,1121 1.676,1122 0.772,1123 1.686,1124 1.294,1125 1.235,1126 1.409,1127 1.539,1128 0.494,1129 1.513,1130 1.171,1131 1.113,1132 1.371,1133 1.426,1134 0.355,1135 1.414,1136 0.96,1137 0.901,1138 1.182,1139 1.188,1140 0.23,1141 1.183,1142 0.726,1143 0.688,1144 1.002,1145 0.992,1146 0.108,1147 0.988,1148 0.546,1149 0.504,1150 0.861,1151 0.852,1153 0.869,1154 3.85,1156 5.209,1157 2.398,1158 6.781,1159 4.727,1160 8.461,1161 6.88,1162 10.203,1164 3.301,1165 5.944,1169 0.245,1171 4.969,1174 1.373,1179 22.67,1180 60.633,1181 127.71,1182 150.2,1183 154.955,1184 154.955,1185 154.955,1186 38.6,1187 7.037,1188 65.6,1189 65.6,1190 17,1191 12.649,1192 3.807,1193 3.087,1194 31.932,1195 58,1196 68,1197 0.294,1198 143.096,1199 247.98,1200 340.914,1201 8849,1202 3,1203 15.146,1204 0.721,1205 0.582,1206 15.646,1207 12.217,1208 10.041,1209 0.437,1210 0.293,1211 6.266,1212 9.208,1213 6.066,1214 5.014,1215 10.33,1216 6.745,1217 9.213,1218 0.271,1219 0.146,1220 9.621,1221 4.969,1222 8.176,1223 0.167,1224 0.072,1225 8.438,1226 3.517,1227 7.025,1228 0.102,1229 0.037,1230 7.244,1231 2.521,1232 5.778,1233 0.063,1234 0.019,1235 6.068,1236 1.711,1237 0.434,1238 67.097,1239 0.26,1240 20.057,1241 0.895,1242 114,1243 410.345,1244 144.595,1245 415.435,1246 553.55,1247 386,1248 140,1249 385.097,1250 166.226,1251 394.488,1252 588.44,1253 370,1254 9.071}
{0 CHEMBL453324,1 1.562,2 8.958,3 3.715,4 13.801,5 89.787,6 7.464,7 0.577,8 3.89,9 3.991,10 3.456,11 3.373,12 5.023,13 3.376,14 4.426,15 4.591,16 3.806,17 3.729,18 5.529,19 3.726,20 4.531,21 4.687,22 3.959,23 3.881,24 5.677,25 3.871,26 4.627,27 4.764,28 3.994,29 3.966,30 5.789,31 3.946,32 4.787,33 4.961,34 3.896,35 3.957,36 5.913,37 3.913,38 4.752,39 4.963,40 3.732,41 3.88,42 5.799,43 3.794,44 4.685,45 4.934,46 3.497,47 3.711,48 5.621,49 3.591,50 4.484,51 4.727,52 3.253,53 3.498,54 5.47,55 3.363,56 0.056,57 0.605,58 9.016,59 4.137,60 6.778,61 5.115,62 0.402,63 0.932,64 18.241,65 6.51,66 32.248,67 8.351,68 0.457,69 1.076,70 19.61,71 7.469,72 31.505,73 9.621,74 0.271,75 1.198,76 20.583,77 8.227,78 27.078,79 10.463,80 0.584,81 1.278,82 26.806,83 8.916,84 55.672,85 11.391,86 0.499,87 1.238,88 26.216,89 8.8,90 47.097,91 12.055,92 0.499,93 1.059,94 26.111,95 8.76,96 44.025,97 12.209,98 0.521,99 0.868,100 21.311,101 7.06,102 42.722,103 9.93,104 44,105 37,106 0.271,107 0.61,108 0.777,109 0.816,110 0.824,111 0.832,112 3.23,113 0.907,114 -2.67,115 -2.69,116 -2.61,118 40.9,119 2,120 1,123 2,124 1,135 2,136 3,137 2,138 1,139 1,144 2,149 1,159 5,161 1,162 4,165 3,166 5,168 3,169 7,170 1,172 2,173 5,176 9,178 1,179 1,180 3,184 9,185 1,186 1,187 3,191 4,193 2,195 3,197 2,198 4,202 2,203 2,204 1,207 1,208 1,210 2,215 1,216 764,217 16.55,218 16.55,219 16.55,220 16.55,221 16.55,222 14.802,223 15.213,224 9.557,225 17.192,226 12.589,227 12.589,228 12.589,229 12.589,230 12.589,231 9.574,232 13.343,233 4.136,234 13.318,235 3.898,236 1.943,237 0.978,238 0.75,239 0.705,240 0.66,241 3.908,244 1,245 1,246 1,247 447,248 3.464,251 35.857,252 102.319,254 145.801,258 1.378,259 25.481,260 1,261 1,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 53,271 215,272 4.816,273 3.703,274 7.046,275 4.337,276 3.353,277 4.909,278 1.674,279 12.143,280 3.298,281 4.301,282 3.356,283 6.385,284 3.891,285 2.926,286 3.964,287 0.86,288 9.767,289 2.821,290 4.004,291 3.091,292 6.086,293 3.595,294 2.644,295 3.493,296 0.86,297 8.755,298 2.5,299 3.512,300 2.535,301 5.537,302 3.077,303 2.112,304 2.895,306 6.826,307 2.025,308 3.414,309 2.215,310 5.149,311 2.926,312 1.96,313 2.807,315 5.983,316 1.888,317 3.094,318 2.019,319 4.78,320 2.686,321 1.74,322 2.262,324 4.967,325 1.64,326 2.784,327 1.821,328 4.302,329 2.333,330 1.428,331 1.863,333 3.692,334 1.282,335 2.371,336 1.653,337 3.909,338 2.034,339 1.126,340 1.342,342 2.718,343 1.013,344 2.097,345 1.383,346 3.218,347 1.838,348 0.883,349 1.02,350 1.522,351 0.83,352 1.717,353 1.012,354 3.052,355 1.49,356 0.523,357 0.601,358 0.88,359 0.501,360 1.626,361 0.748,362 2.793,363 1.229,364 0.37,365 0.414,366 0.56,367 0.313,368 1.476,369 0.491,370 2.689,371 1.17,372 0.252,373 0.321,374 0.435,375 0.231,376 0.949,377 0.255,378 2.437,379 0.576,380 -0.374,381 -0.441,382 -0.679,383 -0.349,384 0.845,385 -0.114,386 2.399,387 0.396,388 -0.568,389 -0.727,390 -1.001,391 -0.544,392 0.665,393 -0.41,394 2.313,395 0.381,396 -0.604,397 -0.761,398 -1.381,399 -0.578,400 11.133,401 0.464,402 0.534,403 0.022,404 30.25,405 1.26,406 14.5,407 0.604,408 15.75,409 0.656,410 20.03,411 0.835,412 26.667,413 0.606,414 22.918,415 0.955,416 6.096,417 0.254,418 5.542,419 0.231,420 0.21,422 0.404,424 0.831,425 1.372,426 0.767,427 1.226,428 0.651,429 1.018,430 1.119,431 0.937,432 0.758,433 0.747,434 0.695,435 0.687,436 0.838,437 0.915,438 0.733,439 0.831,440 0.701,441 0.772,442 0.991,443 1.349,444 0.998,445 1.264,446 1.177,447 1.15,448 1.444,449 1.117,450 1.252,451 1.079,452 1.661,453 1.115,454 1.001,455 1.108,456 1.17,457 1.16,458 1.134,459 1.184,460 0.896,461 0.949,462 0.986,463 1.038,464 0.859,465 1.039,466 0.809,467 1.069,468 1.066,469 1.11,470 0.769,471 1.143,472 4.5,473 0.045,474 3.111,475 2.417,476 1.764,477 1.282,478 0.71,479 0.396,480 0.26,481 0.086,482 5178,483 14898,484 2.015,485 45.5,486 5,487 10,489 1,490 1,492 3,494 1.676,495 1.846,496 3.132,497 -0.301,499 1,501 1,502 68.718,503 1.562,504 3.516,505 4.482,506 4.709,507 4.754,508 4.8,509 2.657,510 4.418,511 4.551,512 3.222,513 889.364,514 7.897,515 9934.44,517 1,519 1,520 240.215,521 1.528,522 4.493,523 0.173,524 0.008,525 0.084,526 0.056,527 0.041,528 0.035,529 0.024,530 0.017,531 0.015,532 0.009,533 0.461,534 0.33,535 1,536 1.475,537 111.1,538 -0.043,539 -0.186,540 0.061,541 -0.122,542 -0.051,543 -0.024,544 -0.037,545 0.116,546 0.194,547 0.268,548 0.078,549 0.277,550 0.125,551 0.188,552 0.184,553 0.198,554 0.116,555 0.198,556 -0.074,557 -0.224,558 -0.112,559 -0.222,560 -0.085,561 -0.183,562 -0.246,563 -0.081,564 -0.278,565 -0.109,566 -0.266,567 -0.186,568 -0.073,569 -0.079,570 -0.212,571 -0.199,572 -0.091,573 -0.225,574 0.024,575 -0.043,576 0.013,577 -0.072,578 0.024,579 -0.041,580 0.129,581 -0.163,582 -0.068,583 -0.146,584 0.093,585 -0.151,586 2.064,587 5.21,588 0.542,589 19.639,590 1.011,591 1.127,592 1.441,593 2.076,594 0.652,595 3.296,596 3.638,597 4.007,598 4.344,599 4.615,600 4.796,601 4.997,602 5.153,603 5.142,604 5.13,605 5.173,606 0.628,607 328.4,608 3.296,609 4.844,610 5.733,611 6.648,612 7.564,613 8.49,614 9.416,615 10.347,616 11.278,617 12.212,618 4.5,624 1,626 1,631 4,632 3,633 1,634 1,637 4,639 15,643 1,648 2,650 44,652 16,653 1,654 26,656 46,657 18,658 11,659 4,660 2,661 1,663 3,664 6,667 2,672 1,674 12,675 6,677 1,680 1,683 1,685 1,687 20,688 5,689 1,690 6,694 2,696 0.333,697 4,702 1,704 1,708 1,709 2,711 2,728 1,732 4,735 24,739 2,741 3,755 9.1,758 1,760 3,762 13,763 9.367,764 5.611,765 2.804,766 3.326,767 1.454,768 0.963,769 4.739,770 10.657,771 3.57,772 4.252,773 4.994,774 5.721,775 6.388,776 6.929,777 7.487,778 8.003,779 8.287,780 8.602,781 1,782 43,783 8.856,784 3.684,785 7.792,786 16.745,787 13.288,788 2.292,789 55,792 1,793 223.651,794 107.598,795 33.571,797 58.145,800 107.598,801 281.796,802 33.571,803 39.417,804 7.127,805 18.952,806 60.893,807 80.408,808 4.288,809 211.88,811 223.651,812 141.169,813 58.145,816 188.338,817 93.458,819 53.367,820 71.017,821 16.786,823 223.651,824 91.716,825 107.598,827 223.651,828 40.182,829 67.416,830 16.786,831 74.93,832 223.651,833 91.716,834 107.598,835 0.568,836 0.368,837 0.218,838 0.12,839 18,840 9,841 0.13,842 6,843 2,844 1.308,845 3.38,846 204.73,847 0.308,848 13,849 110.039,852 16.743,853 6.793,854 2.777,855 3.698,856 74.93,857 5.471,858 4.308,859 3.327,862 2.516,864 16.786,865 422.965,866 34.5,869 12.21,872 -0.397,873 44.465,874 49.571,876 0.286,877 0.644,878 0.821,879 0.863,880 0.871,881 0.879,882 4.81,883 1.126,884 5.74,885 3.692,886 4.317,887 4.938,888 2.258,889 6.64,890 4.228,891 6.056,892 0.883,893 7.354,894 2.718,895 4.007,896 4.997,898 7.722,899 3.923,900 7.41,901 0.523,902 9.071,903 1.522,904 5.989,905 7.334,906 2.94,907 10.874,908 5.847,909 8.809,910 0.37,911 10.845,912 0.88,913 6.524,914 8.238,916 12.777,917 6.384,918 10.242,919 0.252,920 12.656,921 0.56,922 7.979,923 10.078,924 3.844,925 15.464,926 7.804,927 11.7,928 -0.374,929 14.493,930 0.435,931 8.885,932 11.359,934 17.705,935 8.705,936 13.176,937 -0.568,938 16.347,939 -0.679,940 10.154,941 13.024,942 4.834,943 20.246,944 9.951,945 3.353,946 -0.604,947 18.216,948 -1.001,949 11.222,950 14.475,952 22.629,953 11.01,954 2.926,955 12.143,956 20.096,957 -1.381,958 12.429,959 16.08,960 5.853,961 25.126,962 12.2,963 2.644,964 9.767,965 21.985,966 4.909,967 13.566,968 17.606,970 27.569,971 13.326,972 2.112,973 8.755,974 23.882,975 3.964,976 14.756,977 19.193,978 6.88,979 30.056,980 14.502,981 1.96,982 6.826,983 25.785,984 3.493,985 15.924,986 20.752,988 32.525,989 15.658,990 1.74,991 5.983,992 27.695,993 2.895,994 17.113,995 22.336,996 7.91,997 35.012,998 16.834,999 1.428,1000 4.967,1001 29.609,1002 2.807,1003 18.296,1004 23.91,1006 37.494,1007 18.004,1008 5282,1009 9059,1010 16.819,1011 28.682,1012 38.58,1013 40.448,1014 42.006,1015 38.506,1016 38.636,1017 51.781,1018 6.789,1019 116.496,1020 36.684,1021 5.613,1022 5.703,1023 6.816,1024 5.385,1025 5.353,1026 7.909,1027 3.349,1028 19.71,1029 5.298,1030 13.793,1031 1.484,1032 1.556,1033 1.616,1034 1.481,1035 1.486,1036 1.992,1037 0.261,1038 4.481,1039 1.411,1040 4.222,1041 4.248,1042 4.199,1043 4.14,1044 7.433,1045 4.151,1046 3.766,1047 3.783,1048 3.727,1049 3.641,1050 5.09,1051 3.656,1052 3.547,1053 3.588,1054 3.453,1055 3.315,1056 4.802,1057 3.334,1058 3.445,1059 3.517,1060 3.272,1061 3.262,1062 4.5,1063 3.252,1064 3.282,1065 3.347,1066 3.117,1067 3.058,1068 4.484,1069 3.07,1070 3.249,1071 3.314,1072 3.058,1073 2.959,1074 4.356,1075 2.969,1076 3.1,1077 3.159,1078 2.94,1079 2.869,1080 4.068,1081 2.874,1082 2.912,1083 2.971,1084 2.761,1085 2.749,1086 3.815,1087 2.74,1088 0.185,1089 0.142,1090 0.271,1091 0.167,1092 0.129,1093 4.816,1094 0.189,1095 3.703,1096 0.064,1097 7.046,1098 0.467,1099 4.337,1100 0.127,1101 3.353,1102 4.909,1103 1.674,1104 12.143,1105 3.298,1106 1.988,1107 1.976,1108 2.048,1109 2.064,1110 1.279,1111 2.058,1112 1.848,1113 1.819,1114 1.934,1115 2.007,1116 1.071,1117 1.985,1118 1.488,1119 1.43,1120 1.802,1121 1.749,1122 0.938,1123 1.762,1124 1.437,1125 1.362,1126 1.714,1127 1.656,1128 0.827,1129 1.681,1130 1.24,1131 1.18,1132 1.575,1133 1.533,1134 0.583,1135 1.546,1136 1.192,1137 1.123,1138 1.571,1139 1.522,1140 0.574,1141 1.538,1142 1.117,1143 1.077,1144 1.263,1145 1.376,1146 0.324,1147 1.345,1148 0.839,1149 0.774,1150 1.088,1151 1.07,1152 0.16,1153 1.058,1154 3.97,1156 5.303,1157 2.398,1158 6.86,1159 4.844,1160 8.524,1161 7.066,1162 10.246,1164 6.985,1169 0.987,1171 15.895,1179 27.643,1180 68.718,1181 154.705,1182 197.195,1183 207.195,1184 209.195,1185 211.195,1186 39.759,1187 7.331,1188 73.44,1189 73.44,1190 17,1191 12.712,1192 4.087,1193 3.248,1194 38.965,1195 73,1196 86,1197 0.273,1198 170.334,1199 288.86,1200 407.375,1201 12655,1203 17.267,1204 0.719,1205 0.593,1206 17.267,1207 14.226,1208 11.638,1209 0.448,1210 0.302,1211 7.701,1212 10.993,1213 7.417,1214 6.215,1215 11.638,1216 7.865,1217 9.884,1218 0.267,1219 0.144,1220 9.884,1221 5.326,1222 9.007,1223 0.167,1224 0.075,1225 9.007,1226 4.064,1227 7.963,1228 0.105,1229 0.04,1230 7.963,1231 3.009,1232 6.498,1233 0.065,1234 0.021,1235 6.498,1236 2.072,1237 0.409,1238 74.407,1239 0.244,1240 22.696,1241 0.813,1242 126,1243 420.92,1244 141.399,1245 389.94,1246 535.88,1247 368,1248 154,1249 393.9,1250 169.708,1251 396.744,1252 588.71,1253 371,1254 9}
{0 CHEMBL45346,1 1.753,2 7.35,3 1.856,4 3.443,5 76.493,6 8.581,7 0.5,8 3.656,9 3.761,10 3.348,11 3.175,12 4.791,13 3.178,14 4.201,15 4.372,16 3.737,17 3.571,18 5.291,19 3.564,20 4.364,21 4.503,22 3.9,23 3.793,24 5.522,25 3.761,26 4.586,27 4.781,28 3.889,29 3.811,30 5.74,31 3.764,32 4.484,33 4.685,34 3.803,35 3.692,36 5.651,37 3.636,38 4.376,39 4.597,40 3.493,41 3.52,42 5.441,43 3.379,44 4.182,45 4.46,46 3.023,47 3.104,48 5.212,49 2.916,50 3.484,51 3.724,52 2.342,53 2.592,54 4.411,55 2.409,56 0.061,57 0.507,58 5.535,59 2.869,60 5.211,61 3.497,62 0.36,63 0.804,64 13.534,65 4.626,66 19.106,67 5.66,68 0.262,69 0.967,70 15.215,71 6.072,72 19.396,73 7.473,74 0.52,75 1.091,76 21.874,77 7.404,78 48.239,79 9.337,80 0.541,81 0.973,82 20.451,83 6.395,84 41.414,85 8.237,86 0.341,87 0.796,88 18.501,89 6.589,90 36.694,91 8.522,92 0.592,93 0.497,94 26.72,95 5.983,96 55.367,97 7.778,98 0.125,99 0.298,100 7.955,101 3.038,102 11.489,103 3.988,104 19,105 32,106 0.324,107 0.691,108 0.841,109 0.867,110 0.867,111 0.867,112 3.061,113 0.898,114 -3.2,115 -3.19,116 -3.06,118 41.2,123 2,124 2,135 3,136 1,137 2,139 1,144 1,149 1,151 1,159 2,161 2,162 4,166 4,168 2,169 4,173 4,175 3,176 4,183 1,184 7,190 1,191 2,197 1,198 3,211 1,216 364,217 13.439,218 13.439,219 13.439,220 13.439,221 13.439,222 12.036,223 18.599,224 7.788,225 13.988,226 10.793,227 10.793,228 10.793,229 10.793,230 10.793,231 8.527,232 19.786,233 3.591,234 11.615,235 3.334,236 1.352,237 0.537,238 0.397,239 0.397,240 0.397,241 3.735,243 1,244 1,245 1,246 1,247 312,248 2.449,251 30.111,252 35.888,253 39.085,255 58.868,256 64.669,258 1.12,259 20.728,261 1,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 43.833,271 147,272 4.619,273 3.747,274 6.912,275 4.246,276 3.287,277 4.317,278 1.23,279 11.606,280 3.155,281 4.194,282 3.273,283 6.359,284 3.796,285 2.826,286 3.799,287 1.151,288 9.579,289 2.732,290 3.748,291 2.964,292 5.831,293 3.429,294 2.488,295 3.024,296 0.521,297 7.793,298 2.335,299 3.497,300 2.651,301 5.163,302 3.057,303 2.171,304 2.785,306 6.181,307 1.865,308 3.016,309 2.349,310 4.852,311 2.722,312 1.793,313 2.123,315 5.222,316 1.635,317 2.672,318 1.893,319 4.219,320 2.227,321 1.286,322 1.737,324 3.335,325 1.199,326 2.573,327 1.525,328 4.051,329 2.095,330 1.154,331 1.585,333 3.092,334 1.077,335 2.134,336 1.31,337 3.434,338 1.817,339 0.958,340 1.082,342 1.762,343 0.813,344 2.113,345 1.183,346 3.202,347 1.637,348 0.614,349 0.86,350 1.539,351 0.619,352 1.299,353 0.578,354 2.793,355 0.998,356 0.094,357 0.107,358 0.205,359 0.08,360 0.929,361 0.191,362 2.396,363 0.538,364 -0.339,365 -0.413,366 -0.736,367 -0.25,368 0.689,369 -0.076,370 2.226,371 0.281,372 -0.614,373 -0.662,374 -1.212,375 -0.536,376 0.494,377 -0.266,378 2,379 0.21,380 -0.782,381 -1.057,382 -2.21,383 -0.722,384 0.145,385 -0.681,386 2,387 -0.269,388 -1.102,389 -1.298,390 -2.787,391 -0.923,392 -0.014,393 -0.913,394 1.702,395 -0.33,396 -1.281,397 -1.57,398 -3.261,399 -1.139,400 9.581,401 0.479,402 0.559,403 0.028,404 25.5,405 1.275,406 11.5,407 0.575,408 14,409 0.7,410 15.109,411 0.755,412 21.619,413 0.636,414 18.225,415 0.911,416 5.295,417 0.265,418 4.318,419 0.216,420 0.214,422 0.397,424 0.74,425 1.598,426 0.564,427 1.097,428 0.55,429 0.943,430 1.133,431 0.838,432 0.66,433 0.526,434 0.689,435 0.58,436 0.828,437 1.259,438 0.938,439 1.132,440 0.839,441 1.064,442 1.066,443 1.047,444 0.817,445 0.913,446 1.495,447 0.939,448 0.914,449 1.003,450 0.809,451 0.987,452 0.87,453 1.012,454 0.944,455 1.184,456 1.033,457 1.235,458 0.949,459 1.319,460 1.315,461 0.465,462 1.608,463 0.897,464 1.088,465 0.869,466 0.831,467 1.111,468 0.877,469 1.255,470 0.682,471 1.32,472 4,474 2.889,475 1.757,476 1.723,477 0.969,478 0.399,479 0.188,480 0.057,481 0.036,482 3104,483 10306,484 2.048,485 41.2,487 13,489 1,494 1.627,495 1.875,496 2.822,497 -0.689,499 1,501 1,502 59.613,503 1.753,504 3.735,505 4.55,506 4.69,507 4.69,508 4.69,509 2.366,510 3.822,511 4.291,512 2.898,513 550.693,514 7.381,515 5328.94,516 1,517 1,519 1,520 172.974,521 1.522,522 4.231,523 0.182,525 0.09,526 0.047,527 0.049,528 0.033,529 0.023,530 0.019,531 0.011,532 0.018,533 0.474,534 0.83,535 1,536 1.113,537 85.171,538 -0.045,539 -0.413,540 0.036,541 -0.171,542 -0.034,543 -0.065,544 -0.141,545 0.284,546 0.086,547 0.372,548 -0.03,549 0.3,550 -0.04,551 -0.129,552 -0.13,553 -0.183,554 -0.017,555 -0.161,556 -0.059,557 -0.029,558 -0.021,559 0.005,560 -0.144,561 -0.014,562 0.045,563 0.028,564 0.008,565 -0.073,566 0.074,567 -0.087,568 -0.048,569 -0.249,570 -0.087,571 -0.268,572 -0.034,573 -0.332,574 -0.011,575 0.241,576 -0.052,577 0.192,578 0.024,579 0.232,580 0.005,581 -0.303,582 -0.007,583 -0.241,584 0.023,585 -0.25,586 1.713,587 5.427,588 0.7,589 12.44,590 1.017,591 1.128,592 1.968,593 3.875,594 0.687,595 3.135,596 3.497,597 3.829,598 4.143,599 4.407,600 4.585,601 4.682,602 4.736,603 4.787,604 4.691,605 4.262,606 0.661,607 291.76,608 3.135,609 4.691,610 5.572,611 6.482,612 7.388,613 8.305,614 9.22,615 10.139,616 11.057,617 11.977,618 8.8,623 1,624 1,626 1,632 4,633 1,637 5,638 1,639 11,642 1,649 1,650 34,652 12,653 1,654 22,656 36,657 14,658 9,659 3,660 3,661 1,663 3,664 6,665 1,674 10,675 4,677 1,680 1,683 1,684 1,685 1,687 14,688 4,690 6,691 1,692 1,694 3,696 0.333,697 2,708 1,709 1,710 1,712 1,713 1,727 1,728 1,732 2,733 1,735 20,739 2,741 1,744 1,754 1,755 5.9,758 1,759 1,762 10.667,763 6.91,764 4.417,765 1.843,766 2.335,767 1.336,768 0.982,769 3.44,770 9.29,771 3.384,772 4.003,773 4.631,774 5.232,775 5.73,776 6.097,777 6.47,778 6.761,779 7.044,780 7.207,781 1,782 37,783 7.374,784 3.137,785 7.831,786 13.92,787 11.321,788 2.331,789 46.611,790 0.001,793 164.795,794 82.686,795 21.809,796 39.149,797 36.145,800 82.686,801 240.089,802 21.809,803 19.279,804 9.822,805 28.429,806 78.025,807 14.099,808 2.757,809 153.024,810 39.149,811 164.795,812 104.495,813 36.145,814 39.149,816 164.795,817 25.145,818 11,819 23.097,820 64.613,821 55.934,823 164.795,824 57.954,825 121.835,827 164.795,828 26.359,829 61.35,831 92.079,832 164.795,833 57.954,834 121.835,835 0.585,836 0.358,837 0.204,838 0.12,839 17,840 8,841 0.056,842 2,843 2,844 1.286,845 3.046,846 161.724,847 0.286,848 14,849 86.439,852 13.463,853 5.11,854 2.224,856 56.055,857 7.041,858 4.377,862 3.735,863 1.932,865 344.584,866 28.5,869 12.427,872 -0.047,873 34.585,874 38.349,876 0.345,877 0.734,878 0.894,879 0.922,880 0.922,881 0.922,882 4.642,883 0.958,884 5.587,885 3.092,886 4.174,887 4.687,888 1.956,889 6.469,890 4.05,891 5.867,892 0.614,893 7.194,894 1.762,895 3.892,896 4.605,897 0.325,898 7.503,899 3.709,900 7.197,901 0.094,902 8.902,903 1.539,904 5.832,905 6.908,906 2.144,907 10.656,908 5.623,909 8.566,910 -0.339,911 10.667,912 0.205,913 6.365,914 7.656,915 0.74,916 12.507,917 6.117,918 9.969,919 -0.614,920 12.469,921 -0.736,922 7.8,923 9.443,924 2.4,925 15.188,926 7.522,927 11.395,928 -0.782,929 14.297,930 -1.212,931 8.689,932 10.559,933 1.168,934 17.373,935 8.376,936 12.838,937 -1.102,938 16.142,939 -2.21,940 9.944,941 12.145,942 2.685,943 19.895,944 9.598,945 3.287,946 -1.281,947 18.002,948 -2.787,949 10.99,950 13.433,951 1.605,952 22.223,953 10.609,954 2.826,955 11.606,956 19.872,957 -3.261,958 12.183,959 14.937,960 2.986,961 24.69,962 11.766,963 2.488,964 9.579,965 21.75,966 4.317,967 13.301,968 16.307,969 2.049,970 27.081,971 12.845,972 2.171,973 7.793,974 23.636,975 3.799,976 14.476,977 17.778,978 3.3,979 29.53,980 13.983,981 1.793,982 6.181,983 25.527,984 3.024,985 15.625,986 19.188,987 2.494,988 31.95,989 15.093,990 1.286,991 5.222,992 27.423,993 2.785,994 16.799,995 20.646,996 3.625,997 34.394,998 16.227,999 1.154,1000 3.335,1001 29.324,1002 2.123,1003 17.964,1004 22.076,1005 2.938,1006 36.828,1007 17.352,1008 3137,1009 5792,1010 14.334,1011 23.352,1012 33.819,1013 35.094,1014 35.685,1015 33.505,1016 33.344,1017 42.84,1018 5.805,1019 100.628,1020 31.018,1021 5.5,1022 5.747,1023 6.679,1024 5.313,1025 5.287,1026 7.317,1027 2.381,1028 19.195,1029 5.155,1030 10.549,1031 1.537,1032 1.595,1033 1.622,1034 1.523,1035 1.516,1036 1.947,1037 0.264,1038 4.574,1039 1.41,1040 4.086,1041 4.126,1042 4.097,1043 3.962,1044 7.428,1045 3.977,1046 3.757,1047 3.785,1048 3.842,1049 3.648,1050 4.99,1051 3.658,1052 3.511,1053 3.579,1054 3.486,1055 3.263,1056 4.849,1057 3.292,1058 3.345,1059 3.402,1060 3.262,1061 3.044,1062 4.559,1063 3.065,1064 3.009,1065 3.046,1066 3.132,1067 2.851,1068 4.224,1069 2.847,1070 2.91,1071 2.994,1072 2.828,1073 2.762,1074 4.088,1075 2.743,1076 2.823,1077 2.934,1078 2.58,1079 2.599,1080 3.581,1081 2.569,1082 2.741,1083 2.806,1084 2.542,1085 2.559,1086 3.483,1087 2.534,1088 0.21,1089 0.17,1090 0.314,1091 0.193,1092 0.149,1093 4.619,1094 0.196,1095 3.747,1096 0.056,1097 6.912,1098 0.528,1099 4.246,1100 0.143,1101 3.287,1102 4.317,1103 1.23,1104 11.606,1105 3.155,1106 1.914,1107 1.895,1108 1.971,1109 2.005,1110 1.135,1111 2,1112 1.669,1113 1.622,1114 1.829,1115 1.879,1116 1.056,1117 1.865,1118 1.422,1119 1.362,1120 1.676,1121 1.71,1122 0.774,1123 1.696,1124 1.276,1125 1.219,1126 1.503,1127 1.505,1128 0.583,1129 1.498,1130 1.14,1131 1.057,1132 1.43,1133 1.421,1134 0.506,1135 1.443,1136 0.959,1137 0.9,1138 1.237,1139 1.193,1140 0.349,1141 1.204,1142 0.823,1143 0.738,1144 1.164,1145 1.077,1146 0.227,1147 1.12,1148 0.713,1149 0.637,1150 0.927,1151 0.928,1153 0.952,1154 3.807,1156 5.153,1157 2.398,1158 6.693,1159 4.844,1160 8.325,1161 7.05,1162 10.009,1164 3.4,1165 6.009,1169 0.914,1171 5.162,1174 1.662,1179 22.482,1180 59.613,1181 127,1182 154.709,1183 159.464,1184 159.464,1185 159.464,1186 30.056,1187 6.955,1188 47.36,1189 47.36,1190 18,1191 12.486,1192 3.7,1193 2.907,1194 29.63,1195 54,1196 58,1197 0.306,1198 142.027,1199 241.83,1200 338.306,1201 8226,1202 2.9,1203 14.276,1204 0.714,1205 0.601,1206 14.776,1207 12.016,1208 9.613,1209 0.437,1210 0.299,1211 6.105,1212 8.822,1213 5.86,1214 4.863,1215 9.902,1216 6.587,1217 8.772,1218 0.274,1219 0.163,1220 9.18,1221 5.2,1222 7.67,1223 0.17,1224 0.081,1225 7.932,1226 3.651,1227 6.463,1228 0.104,1229 0.042,1230 6.682,1231 2.607,1232 5.457,1233 0.067,1234 0.023,1235 5.748,1236 1.856,1237 0.447,1238 64.291,1239 0.264,1240 19.06,1241 0.95,1242 108,1243 350.61,1244 134.553,1245 362.417,1246 481.05,1247 338,1248 131,1249 324.029,1250 153.68,1251 341.414,1252 501.66,1253 316,1254 7.409}
{0 CHEMBL454095,1 1.494,2 11.533,3 4.554,4 20.739,5 114.28,6 7.491,7 0.636,8 4.089,9 4.189,10 3.664,11 3.629,12 5.204,13 3.619,14 4.621,15 4.77,16 4.012,17 3.993,18 5.726,19 3.973,20 4.791,21 4.954,22 4.085,23 4.119,24 5.872,25 4.076,26 4.892,27 5.092,28 4.104,29 4.117,30 5.952,31 4.073,32 4.857,33 5.018,34 4.105,35 4.078,36 6.056,37 4.052,38 4.842,39 5.022,40 4.069,41 4.111,42 5.943,43 4.066,44 4.911,45 5.095,46 3.911,47 4.108,48 5.962,49 4.018,50 4.889,51 5.134,52 3.794,53 4.031,54 5.818,55 3.909,56 0.029,57 0.724,58 10.761,59 5.157,60 8.344,61 6.318,62 0.343,63 1.153,64 21.161,65 8.376,66 33.376,67 10.38,68 0.378,69 1.374,70 25.264,71 10.042,72 37.502,73 12.688,74 0.319,75 1.476,76 29.398,77 10.978,78 38.806,79 14.401,80 0.702,81 1.384,82 28.438,83 10.055,84 70.609,85 12.33,86 0.388,87 1.447,88 27.124,89 10.023,90 40.221,91 12.918,92 0.585,93 1.46,94 30.164,95 11.244,96 58.245,97 14.147,98 0.568,99 1.415,100 31.414,101 11.599,102 54.5,103 15.915,104 26,105 46,106 0.245,107 0.586,108 0.758,109 0.831,110 0.84,111 0.84,112 3.441,113 0.897,114 -3.5,115 -3.48,116 -3.32,118 44.4,119 2,123 1,124 2,126 1,135 8,136 4,137 1,138 1,139 1,144 2,149 1,159 10,161 1,162 7,165 3,166 11,168 2,169 8,170 1,172 3,173 7,175 1,176 9,180 4,183 2,184 9,185 2,187 9,191 4,193 2,195 11,197 2,198 5,201 1,202 11,203 2,204 2,207 4,208 8,211 2,214 2,215 5,216 1566,217 20.438,218 20.438,219 20.438,220 20.438,221 20.438,222 17.941,223 18.353,224 12.261,225 20.973,226 16.302,227 16.302,228 16.302,229 16.302,230 16.302,231 12.395,232 21.394,233 5.781,234 17.046,235 4.261,236 2.182,237 1.13,238 0.686,239 0.635,240 0.635,241 4.138,245 1,246 1,247 740,248 3.873,251 49.954,252 233.993,254 199.312,258 1.8,259 28.282,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 65,271 346,272 4.806,273 3.722,274 7.043,275 4.327,276 3.344,277 4.898,278 1.674,279 12.134,280 3.288,281 4.239,282 3.32,283 6.346,284 3.835,285 2.863,286 3.871,287 1.151,288 9.598,289 2.776,290 3.918,291 2.978,292 5.679,293 3.536,294 2.566,295 3.451,296 1.151,297 7.525,298 2.501,299 3.809,300 2.724,301 5.382,302 3.382,303 2.413,304 3.302,306 7.005,307 2.322,308 3.513,309 2.515,310 5.231,311 3.155,312 2.221,313 2.846,315 6.485,316 2.061,317 3.365,318 2.424,319 5.117,320 2.915,321 1.953,322 2.727,324 5.942,325 1.866,326 3.165,327 2.109,328 4.806,329 2.864,330 1.908,331 2.299,333 5.203,334 1.816,335 2.917,336 1.83,337 4.448,338 2.496,339 1.53,340 2.086,342 4.128,343 1.478,344 2.866,345 1.722,346 3.853,347 2.482,348 1.491,349 1.926,350 3.149,351 1.471,352 2.62,353 1.626,354 3.639,355 2.106,356 1.164,357 1.608,358 2.874,359 1.082,360 2.5,361 1.242,362 3.468,363 2,364 1,365 1.5,366 2.136,367 1,368 2.221,369 1.063,370 3.247,371 1.896,372 1,373 1.176,374 2.008,375 0.885,376 2.032,377 1,378 3.199,379 1.638,380 0.73,381 0.909,382 1.678,383 0.656,384 1.757,385 0.622,386 3.07,387 1.349,388 0.414,389 0.552,390 1.021,391 0.385,392 1.231,393 0.581,394 2.69,395 0.889,396 -0.037,397 -0.043,398 -0.076,399 -0.034,400 14.133,401 0.471,402 0.695,403 0.023,404 39.25,405 1.308,406 20,407 0.667,408 19.25,409 0.642,410 25.108,411 0.837,412 32.067,413 0.594,414 31.097,415 1.037,416 7.992,417 0.266,418 6.571,419 0.219,420 0.13,422 0.354,424 0.812,425 1.232,426 0.764,427 1.114,428 0.676,429 0.958,430 1.16,431 1.007,432 0.857,433 0.872,434 0.727,435 0.822,436 1.057,437 1.058,438 0.975,439 1.027,440 0.829,441 0.997,442 1.012,443 1.063,444 0.838,445 1.003,446 1.06,447 0.904,448 1.429,449 1.016,450 1.072,451 0.956,452 2.025,453 0.955,454 1.114,455 1.059,456 1.044,457 1.051,458 0.964,459 1.025,460 1.324,461 1.071,462 1.312,463 1.147,464 1.437,465 1.217,466 0.753,467 0.915,468 0.911,469 0.909,470 0.632,471 0.938,472 5.5,473 0.144,474 2.889,475 2.167,476 1.684,477 1.285,478 0.706,479 0.569,480 0.383,481 0.193,482 11333,483 29430,484 2.087,485 44.4,487 16,489 1,490 1,492 6,494 1.732,495 1.957,496 3.461,497 -0.382,502 80.686,503 1.494,504 3.573,505 4.625,506 5.069,507 5.12,508 5.12,509 2.949,510 4.507,511 4.871,512 3.64,513 1583.58,514 8.523,515 21630.3,517 1,520 310.764,521 1.4,522 4.839,523 0.167,524 0.006,525 0.063,526 0.045,527 0.035,528 0.027,529 0.015,530 0.015,531 0.011,532 0.007,533 0.393,534 0.33,535 1,536 1.236,537 153.203,538 -0.026,539 -0.115,540 0.061,541 -0.069,542 -0.068,543 -0.001,544 -0.031,545 0.037,546 0.08,547 0.128,548 0.063,549 0.123,550 -0.013,551 -0.012,552 -0.04,553 -0.035,554 0.002,555 -0.047,556 0.008,557 -0.056,558 0.138,559 -0.027,560 0.041,561 0.064,562 0.034,563 -0.004,564 -0.065,565 0.005,566 -0.135,567 -0.043,568 -0.053,569 0.008,570 -0.09,571 -0.089,572 -0.001,573 -0.09,574 -0.12,575 -0.083,576 -0.33,577 -0.17,578 -0.203,579 -0.269,580 0.121,581 0.018,582 0.088,583 0.08,584 0.139,585 0.077,586 2.121,587 5.604,588 0.633,589 32.76,590 1.004,591 1.119,592 2.273,593 5.168,594 0.67,595 3.526,596 3.85,597 4.143,598 4.477,599 4.754,600 4.898,601 5.081,602 5.288,603 5.347,604 5.451,605 6.72,606 0.643,607 404.5,608 3.526,609 5.069,610 5.927,611 6.821,612 7.708,613 8.616,614 9.518,615 10.434,616 11.345,617 12.266,618 3.7,624 1,626 1,631 4,632 9,633 1,634 1,637 4,639 21,643 1,648 1,650 54,652 22,653 2,654 33,656 57,657 24,658 17,659 4,660 8,661 1,663 4,664 7,667 2,672 1,674 18,675 6,677 1,680 1,683 1,685 1,687 24,688 5,689 1,690 6,694 2,696 0.5,697 4,702 1,704 1,708 1,709 3,711 2,727 1,728 2,732 3,735 30,739 2,741 3,743 1,755 7.4,758 1,759 1,760 2,762 15.333,763 10.7,764 6.667,765 3.186,766 4.136,767 1.514,768 0.985,769 6.024,770 12.175,771 3.818,772 4.463,773 5.131,774 5.832,775 6.476,776 6.931,777 7.467,778 8.007,779 8.328,780 8.71,781 0.875,782 48,783 11.098,784 4.678,785 7.711,786 21.147,787 17.094,788 2.211,789 66.333,791 1,792 1,793 270.735,794 153.572,795 33.571,797 58.145,800 153.572,801 328.88,802 33.571,803 28.533,804 9.185,805 75.81,806 71.893,807 67.35,808 4.288,809 258.964,811 270.735,812 187.144,813 58.145,816 200.109,817 117.771,818 11,819 55.425,820 114.933,821 16.786,823 270.735,824 91.716,825 153.572,827 270.735,828 40.182,829 113.391,830 16.786,831 74.93,832 270.735,833 91.716,834 153.572,835 0.572,836 0.329,837 0.193,838 0.113,839 22,840 10,841 0.14,842 8,843 2,844 1.211,845 4.076,846 273.6,847 0.211,848 19,849 141.207,852 20.392,853 8.863,854 4.353,855 3.607,856 74.93,857 17.555,858 4.355,859 3.359,862 2.819,864 16.786,865 516.023,866 44.5,869 12.604,872 -0.454,873 54.232,874 60.401,876 0.26,877 0.621,878 0.804,879 0.881,880 0.89,881 0.89,882 5.045,883 1.53,884 5.911,885 5.203,886 4.533,887 5.15,888 2.477,889 6.746,890 4.457,891 6.265,892 1.491,893 7.477,894 4.128,895 4.111,896 5.037,898 7.706,899 4.035,900 7.584,901 1.164,902 9.148,903 3.149,904 6.133,905 7.459,906 3.167,907 10.861,908 6.005,909 8.946,910 1,911 10.883,912 2.874,913 6.553,914 8.231,916 12.717,917 6.429,918 10.345,919 1,920 12.662,921 2.136,922 8.047,923 10.129,924 3.996,925 15.409,926 7.885,927 11.772,928 0.73,929 14.472,930 2.008,931 8.872,932 11.334,934 17.643,935 8.711,936 13.223,937 0.414,938 16.307,939 1.678,940 10.159,941 13.027,942 4.919,943 20.19,944 9.974,945 3.344,946 -0.037,947 18.161,948 1.021,949 11.181,950 14.441,952 22.577,953 10.991,954 2.863,955 12.134,956 20.031,957 -0.076,958 12.394,959 16.057,960 5.896,961 25.08,962 12.186,963 2.566,964 9.598,965 21.914,966 4.898,967 13.508,968 17.567,970 27.529,971 13.291,972 2.413,973 7.525,974 23.808,975 3.871,976 14.699,977 19.158,978 6.902,979 30.021,980 14.466,981 2.221,982 7.005,983 25.71,984 3.451,985 15.857,986 20.71,988 32.495,989 15.611,990 1.953,991 6.485,992 27.62,993 3.302,994 17.045,995 22.295,996 7.92,997 34.985,998 16.785,999 1.908,1000 5.942,1001 29.536,1002 2.846,1003 18.223,1004 23.866,1006 37.47,1007 17.95,1008 10937,1009 17762,1010 22.076,1011 36.205,1012 49.7,1013 51.014,1014 50.995,1015 49.152,1016 49.196,1017 66.306,1018 7.952,1019 141.772,1020 47.172,1021 5.645,1022 5.722,1023 6.845,1024 5.394,1025 5.344,1026 7.898,1027 3.349,1028 19.709,1029 5.288,1030 14.534,1031 1.506,1032 1.546,1033 1.545,1034 1.489,1035 1.491,1036 2.009,1037 0.241,1038 4.296,1039 1.429,1040 4.221,1041 4.248,1042 4.197,1043 4.139,1044 7.433,1045 4.15,1046 3.906,1047 3.936,1048 3.834,1049 3.844,1050 5.081,1051 3.837,1052 3.755,1053 3.775,1054 3.708,1055 3.625,1056 4.8,1057 3.639,1058 3.61,1059 3.661,1060 3.485,1061 3.436,1062 4.688,1063 3.434,1064 3.418,1065 3.463,1066 3.302,1067 3.193,1068 4.584,1069 3.214,1070 3.301,1071 3.339,1072 3.178,1073 3.041,1074 4.497,1075 3.063,1076 3.153,1077 3.197,1078 3.031,1079 2.978,1080 4.349,1081 2.987,1082 2.997,1083 3.063,1084 2.86,1085 2.837,1086 3.908,1087 2.833,1088 0.146,1089 0.113,1090 0.213,1091 0.131,1092 0.101,1093 4.806,1094 0.148,1095 3.722,1096 0.051,1097 7.043,1098 0.368,1099 4.327,1100 0.1,1101 3.344,1102 4.898,1103 1.674,1104 12.134,1105 3.288,1106 1.986,1107 1.974,1108 2.053,1109 2.063,1110 1.249,1111 2.057,1112 1.903,1113 1.876,1114 2.017,1115 2.016,1116 1.134,1117 2.008,1118 1.84,1119 1.808,1120 1.928,1121 1.964,1122 1.056,1123 1.968,1124 1.603,1125 1.546,1126 1.88,1127 1.824,1128 1.027,1129 1.842,1130 1.336,1131 1.287,1132 1.624,1133 1.633,1134 0.669,1135 1.628,1136 1.212,1137 1.163,1138 1.462,1139 1.479,1140 0.611,1141 1.465,1142 1.137,1143 1.107,1144 1.417,1145 1.373,1146 0.507,1147 1.357,1148 0.99,1149 0.938,1150 1.369,1151 1.239,1152 0.469,1153 1.308,1154 4.205,1156 5.525,1157 2.398,1158 7.045,1159 4.844,1160 8.665,1161 7.066,1162 10.344,1164 5.225,1169 0.724,1171 16.769,1173 -0.23,1179 34.697,1180 80.686,1181 192.932,1182 249.744,1183 273.744,1184 276.499,1185 276.499,1186 50.133,1187 8.039,1188 73.44,1189 73.44,1190 23,1191 12.777,1192 4.524,1193 3.644,1194 46.89,1195 117,1196 137,1197 0.194,1198 211.713,1199 361.48,1200 508.339,1201 34685,1203 21.087,1204 0.703,1205 0.576,1206 21.087,1207 17.268,1208 14.563,1209 0.441,1210 0.299,1211 9.707,1212 13.942,1213 9.377,1214 7.83,1215 14.563,1216 9.865,1217 13.058,1218 0.284,1219 0.16,1220 13.058,1221 7.368,1222 10.62,1223 0.171,1224 0.077,1225 10.62,1226 4.783,1227 9.476,1228 0.109,1229 0.04,1230 9.476,1231 3.501,1232 7.849,1233 0.068,1234 0.021,1235 7.849,1236 2.405,1237 0.301,1238 91.749,1239 0.213,1240 28.169,1241 0.542,1242 158,1243 482.92,1244 174.063,1245 456.29,1246 625.9,1247 430,1248 187,1249 456.9,1250 202.93,1251 464.516,1252 682.74,1253 434,1254 8.076}
{0 CHEMBL454606,1 1.563,2 7.611,3 2.805,4 7.87,5 67.219,6 8.009,7 0.75,8 3.529,9 3.628,10 3.165,11 3.104,12 4.695,13 3.103,14 4.025,15 4.162,16 3.52,17 3.465,18 5.223,19 3.452,20 4.188,21 4.368,22 3.541,23 3.526,24 5.365,25 3.493,26 4.126,27 4.296,28 3.38,29 3.426,30 5.314,31 3.385,32 4.001,33 4.188,34 3.16,35 3.234,36 5.166,37 3.183,38 3.877,39 4.086,40 3.04,41 3.048,42 5.06,43 2.993,44 3.687,45 3.905,46 2.665,47 2.779,48 4.803,49 2.709,50 3.431,51 3.631,52 2.36,53 2.572,54 4.515,55 2.483,56 0.032,57 0.422,58 5.2,59 2.618,60 4.784,61 3.085,62 0.204,63 0.671,64 10.079,65 4.32,66 20.355,67 5.247,68 0.283,69 0.781,70 13.219,71 5.121,72 27.318,73 6.467,74 0.182,75 0.717,76 12.116,77 4.77,78 26.319,79 5.729,80 0.195,81 0.612,82 11.395,83 4.252,84 29.523,85 5.136,86 0.205,87 0.551,88 10.183,89 3.631,90 19.888,91 4.772,92 0.165,93 0.412,94 9.176,95 3.237,96 22.648,97 3.978,98 0.135,99 0.325,100 6.729,101 2.418,102 17.284,103 2.878,104 8,105 28,106 0.293,107 0.652,108 0.779,109 0.864,110 0.877,111 0.877,112 2.962,113 0.874,114 -2.71,115 -2.72,116 -2.65,118 46.7,119 1,124 1,135 5,136 2,138 1,139 1,144 2,149 1,159 6,161 1,162 2,165 3,166 6,168 2,169 3,170 1,172 3,173 5,176 4,179 1,180 3,184 5,187 2,191 4,193 2,195 1,198 4,202 1,204 2,207 1,208 1,215 2,216 326,217 12.439,218 12.439,219 12.439,220 12.439,221 12.439,222 10.685,223 4.343,224 7.431,225 12.74,226 9.852,227 9.852,228 9.852,229 9.852,230 9.852,231 7.112,232 3.261,233 3.447,234 10.229,235 3.344,236 1.424,237 0.745,238 0.292,239 0.225,240 0.225,241 3.642,245 1,246 1,247 297,248 2.739,251 24.892,252 70.059,254 100.253,258 1.21,259 15.997,262 1,263 1,264 1,265 0.6,267 1,268 1,269 0.8,270 39,271 137,272 4.713,273 3.662,274 6.766,275 4.203,276 3.221,277 4.809,278 1.674,279 11.138,280 3.163,281 4.102,282 3.191,283 6.02,284 3.706,285 2.733,286 3.667,288 8.566,289 2.648,290 3.675,291 2.325,292 5.534,293 3.185,294 2.203,295 3.157,297 6.942,298 2.159,299 3.263,300 1.886,301 4.882,302 2.733,303 1.767,304 2.639,306 5.326,307 1.703,308 2.954,309 1.788,310 4.205,311 2.469,312 1.54,313 2.136,315 3.797,316 1.429,317 2.834,318 1.715,319 3.792,320 2.357,321 1.38,322 1.927,324 3.062,325 1.333,326 2.5,327 1.388,328 3.59,329 1.98,330 1,331 1.5,333 2.539,334 0.978,335 2.09,336 1,337 3.096,338 1.825,339 0.855,340 0.996,342 1.453,343 0.814,344 1.844,345 0.434,346 2.891,347 1.303,348 0.344,349 0.507,350 0.823,351 0.328,352 0.928,353 0.244,354 2.395,355 0.441,356 -0.507,357 -0.593,358 -0.856,359 -0.478,360 0.803,361 -0.472,362 2.227,363 0.372,364 -0.642,365 -0.917,366 -1.46,367 -0.637,368 0.661,369 -0.696,370 2,371 0.285,372 -0.697,373 -1.045,374 -1.852,375 -0.682,376 0.5,377 -0.862,378 2,379 -0.013,380 -1,381 -1.5,382 -2.856,383 -0.987,384 0.366,385 -1,386 1.655,387 -0.121,388 -1.113,389 -1.628,390 -3.044,391 -1.101,392 -0.174,393 -1.117,394 1.336,395 -0.518,396 -1.495,397 -1.847,398 -3.501,399 -1.41,400 8.467,401 0.47,402 0.38,403 0.021,404 25.25,405 1.403,406 13.5,407 0.75,408 11.75,409 0.653,410 10.721,411 0.596,412 18.533,413 0.618,414 16.015,415 0.89,416 5.098,417 0.283,418 3.694,419 0.205,420 0.098,422 0.354,424 0.759,425 1.172,426 0.7,427 0.994,428 0.595,429 0.859,430 0.817,431 1.121,432 0.777,433 0.927,434 0.562,435 0.859,436 0.861,437 0.855,438 0.836,439 0.826,440 0.675,441 0.827,442 1.239,443 1.139,444 1.112,445 1.096,446 1.427,447 1.081,448 1.364,449 1.059,450 1.138,451 1.028,452 1.695,453 1.04,454 0.87,455 1.039,456 1.004,457 1.1,458 0.928,459 1.07,460 1.497,461 0.911,462 1.131,463 0.999,464 1.498,465 1.004,466 1.604,467 1.015,468 1.406,469 1.122,470 1.545,471 1.216,472 3,473 0.012,474 2.222,475 1.451,476 0.626,477 0.549,478 0.314,479 0.135,480 0.084,481 0.026,482 2664,483 7464,484 2.12,485 40,487 7,489 1,490 1,492 3,494 1.589,495 2,496 2.939,497 -0.28,499 1,500 1,501 1,502 46.884,503 1.563,504 3.483,505 4.161,506 4.615,507 4.682,508 4.682,509 2.441,510 3.948,511 4.138,512 3.003,513 459.4,514 7.035,515 4185.88,517 1,519 1,520 147.207,521 1.352,522 4.109,523 0.15,524 0.012,525 0.079,526 0.052,527 0.027,528 0.03,529 0.021,530 0.013,531 0.012,532 0.009,533 0.406,534 0.83,535 1,536 1.279,537 75.061,538 -0.051,539 -0.098,540 0.046,541 -0.033,542 -0.07,543 0.017,544 0.113,545 -0.093,546 0.077,547 0.031,548 0.104,549 0.044,550 0.101,551 0.167,552 0.094,553 0.125,554 0.11,555 0.105,556 -0.191,557 -0.143,558 -0.191,559 -0.149,560 -0.161,561 -0.164,562 -0.218,563 -0.096,564 -0.164,565 -0.073,566 -0.262,567 -0.102,568 0.161,569 -0.037,570 -0.01,571 -0.169,572 0.073,573 -0.126,574 -0.192,575 -0.026,576 -0.059,577 -0.022,578 -0.097,579 -0.015,580 -0.311,581 -0.099,582 -0.381,583 -0.162,584 -0.198,585 -0.263,586 2.051,587 4.651,588 0.722,589 11.802,590 1.009,591 1.116,592 1.478,593 2.185,594 0.691,595 3.045,596 3.367,597 3.689,598 3.989,599 4.234,600 4.331,601 4.489,602 4.605,603 4.454,604 4.357,605 4.445,606 0.67,607 240.28,608 3.045,609 4.575,610 5.442,611 6.333,612 7.226,613 8.128,614 9.031,615 9.938,616 10.845,617 11.755,618 6.7,624 1,626 1,631 4,632 6,633 1,634 1,637 1,639 15,643 1,650 30,652 16,653 1,654 20,656 32,657 14,658 11,659 2,660 4,661 1,663 3,664 6,667 1,674 12,675 2,677 1,680 1,683 1,685 1,687 12,688 3,689 1,690 4,694 2,696 0.333,697 2,702 1,704 1,708 1,709 2,711 2,728 1,732 1,735 18,739 1,741 1,755 6.7,758 1,760 1,762 9,763 5.783,764 4.028,765 1.908,766 3.315,767 1.495,768 1.02,769 2.67,770 10.015,771 3.384,772 4.065,773 4.785,774 5.494,775 6.14,776 6.603,777 7.13,778 7.612,779 7.77,780 8.026,781 1,782 28,783 6.625,784 2.819,785 7.806,786 12.536,787 10.194,788 2.306,789 41.5,790 0.001,793 129.482,794 89.229,795 33.571,797 36.145,800 89.229,801 165.627,802 33.571,803 8.825,804 4.592,805 47.381,806 60.893,807 44.736,808 4.288,809 117.711,811 129.482,812 122.8,813 36.145,816 94.169,817 71.458,819 42.007,820 64.007,821 16.786,823 129.482,824 69.716,825 89.229,827 129.482,828 23.975,829 65.254,830 16.786,831 52.93,832 129.482,833 69.716,834 89.229,835 0.572,836 0.345,837 0.196,838 0.108,839 15,840 6,841 0.094,842 3,843 2,844 1.308,845 3.05,846 133.504,847 0.308,848 13,849 75.059,852 11.087,853 4.334,854 1.853,855 4.031,856 52.93,857 11.397,858 4.115,859 3.261,862 0.342,864 16.786,865 288.427,866 28.5,869 11.651,872 -0.385,873 30.276,874 33.491,876 0.318,877 0.71,878 0.848,879 0.941,880 0.954,881 0.954,882 4.593,883 0.855,884 5.425,885 2.539,886 4.043,887 4.749,888 1.888,889 6.267,890 3.982,891 5.828,892 0.344,893 6.999,894 1.453,895 3.611,896 4.677,898 7.222,899 3.554,900 7.159,901 -0.507,902 8.677,903 0.823,904 5.652,905 7.125,906 2.817,907 10.36,908 5.547,909 8.536,910 -0.642,911 10.418,912 -0.856,913 6.089,914 7.945,916 12.175,917 5.985,918 9.95,919 -0.697,920 12.198,921 -1.46,922 7.586,923 9.849,924 3.808,925 14.819,926 7.447,927 11.391,928 -1,929 14.005,930 -1.852,931 8.423,932 11.084,934 16.983,935 8.277,936 12.853,937 -1.113,938 15.831,939 -2.856,940 9.704,941 12.776,942 4.825,943 19.463,944 9.533,945 3.221,946 -1.495,947 17.671,948 -3.044,949 10.721,950 14.201,952 21.771,953 10.538,954 2.733,955 11.138,956 19.522,957 -3.501,958 11.919,959 15.811,960 5.851,961 24.198,962 11.716,963 2.203,964 8.566,965 21.383,966 4.809,967 13.016,968 17.319,970 26.564,971 12.797,972 1.767,973 6.942,974 23.251,975 3.667,976 14.185,977 18.901,978 6.88,979 28.975,980 13.949,981 1.54,982 5.326,983 25.124,984 3.157,985 15.317,986 20.444,988 31.365,989 15.064,990 1.38,991 3.797,992 27.003,993 2.639,994 16.478,995 22.016,996 7.91,997 33.773,998 16.209,999 1,1000 3.062,1001 28.886,1002 2.136,1003 17.626,1004 23.574,1006 36.174,1007 17.34,1008 2645,1009 4512,1010 13.523,1011 20.727,1012 30.302,1013 31.148,1014 31.15,1015 30.062,1016 30.084,1017 42.677,1018 3.349,1019 87.29,1020 29.111,1021 5.498,1022 5.662,1023 6.535,1024 5.248,1025 5.221,1026 7.809,1027 3.349,1028 18.152,1029 5.163,1030 7.183,1031 1.515,1032 1.557,1033 1.557,1034 1.503,1035 1.504,1036 2.134,1037 0.167,1038 4.365,1039 1.456,1040 4.208,1041 4.238,1042 4.179,1043 4.126,1044 7.433,1045 4.136,1046 3.714,1047 3.739,1048 3.665,1049 3.592,1050 5.074,1051 3.602,1052 3.516,1053 3.571,1054 3.395,1055 3.305,1056 4.636,1057 3.314,1058 3.265,1059 3.32,1060 3.13,1061 3.083,1062 4.438,1063 3.091,1064 2.982,1065 3.028,1066 2.877,1067 2.844,1068 4.123,1069 2.844,1070 2.888,1071 2.94,1072 2.793,1073 2.697,1074 3.842,1075 2.707,1076 2.666,1077 2.732,1078 2.507,1079 2.436,1080 3.631,1081 2.457,1082 2.368,1083 2.485,1084 2.081,1085 2.052,1086 3.5,1087 2.037,1088 0.236,1089 0.183,1090 0.338,1091 0.21,1092 0.161,1093 4.713,1094 0.24,1095 3.662,1096 0.084,1097 6.766,1098 0.557,1099 4.203,1100 0.158,1101 3.221,1102 4.809,1103 1.674,1104 11.138,1105 3.163,1106 1.974,1107 1.956,1108 2.051,1109 2.04,1110 1.197,1111 2.042,1112 1.834,1113 1.797,1114 1.918,1115 1.994,1116 0.988,1117 1.976,1118 1.488,1119 1.43,1120 1.799,1121 1.747,1122 0.934,1123 1.759,1124 1.199,1125 1.155,1126 1.352,1127 1.435,1128 0.393,1129 1.412,1130 1.004,1131 0.971,1132 1.164,1133 1.197,1134 0.217,1135 1.182,1136 0.849,1137 0.795,1138 1.094,1139 1.064,1140 0.145,1141 1.081,1142 0.567,1143 0.49,1144 0.954,1145 0.827,1146 0.086,1147 0.872,1148 0.484,1149 0.389,1150 0.865,1151 0.814,1153 0.845,1154 3.714,1156 5.03,1157 2.398,1158 6.561,1159 4.844,1160 8.189,1161 7.05,1162 9.868,1164 1.78,1169 0.354,1171 4.954,1179 20.106,1180 46.884,1181 104.478,1182 124.842,1183 138.452,1184 140.452,1185 140.452,1186 21.521,1187 6.7,1188 54.98,1189 54.98,1190 17,1191 12.271,1192 4.087,1193 3.248,1194 25.693,1195 48,1196 54,1197 0.28,1198 123.972,1199 202.08,1200 294.252,1201 6077,1203 12.535,1204 0.696,1205 0.552,1206 12.535,1207 9.935,1208 8.792,1209 0.44,1210 0.291,1211 5.749,1212 8.451,1213 5.618,1214 4.66,1215 8.792,1216 5.829,1217 7.707,1218 0.275,1219 0.143,1220 7.707,1221 4.006,1222 6.761,1223 0.173,1224 0.074,1225 6.761,1226 2.875,1227 5.809,1228 0.11,1229 0.039,1230 5.809,1231 2.067,1232 4.726,1233 0.07,1234 0.021,1235 4.726,1236 1.4,1237 0.42,1238 55.1,1239 0.272,1240 17.76,1241 0.82,1242 96,1243 297.449,1244 105.642,1245 285.122,1246 394.17,1247 268,1248 115,1249 293.809,1250 124.451,1251 296.212,1252 438.21,1253 280,1254 7.569}
{0 CHEMBL454865,1 1.568,2 8.739,3 2.263,4 5.12,5 87.096,6 7.168,7 0.24,8 3.879,9 3.999,10 3.415,11 3.361,12 4.941,13 3.348,14 4.465,15 4.662,16 3.795,17 3.754,18 5.521,19 3.729,20 4.686,21 4.875,22 3.98,23 3.98,24 5.761,25 3.939,26 4.833,27 5.02,28 4.009,29 4.031,30 5.991,31 3.983,32 4.85,33 5.066,34 3.851,35 3.969,36 5.942,37 3.895,38 4.724,39 4.957,40 3.652,41 3.778,42 5.83,43 3.695,44 4.61,45 4.857,46 3.351,47 3.587,48 5.77,49 3.47,50 4.465,51 4.766,52 2.914,53 3.448,54 5.244,55 3.241,56 0.021,57 0.647,58 9.477,59 3.949,60 5.675,61 5.403,62 0.391,63 1.042,64 19.361,65 6.135,66 29.087,67 8.949,68 0.329,69 1.28,70 23.802,71 8.448,72 35.264,73 11.905,74 0.519,75 1.386,76 28.417,77 9.368,78 63.328,79 13.003,80 0.566,81 1.343,82 29.85,83 9.137,84 66.399,85 13.073,86 0.41,87 1.154,88 26.414,89 7.766,90 55.192,91 11.431,92 0.651,93 0.939,94 24.687,95 7.026,96 92.075,97 10.176,98 0.276,99 0.813,100 21.187,101 7.023,102 35.192,103 10.557,104 32,105 36,106 0.275,107 0.597,108 0.826,109 0.869,110 0.869,111 0.869,112 3.19,113 0.951,114 -3.46,115 -3.44,116 -3.29,118 38.6,119 2,120 1,123 1,124 2,125 1,126 1,135 3,136 2,137 1,147 1,149 2,159 6,161 3,162 5,166 7,168 3,169 4,173 6,175 4,176 8,180 2,183 2,184 8,190 1,191 9,197 2,198 6,204 3,208 2,211 3,215 2,216 584,217 15.516,218 15.516,219 15.516,220 15.516,221 15.516,222 14.398,223 22.409,224 8.95,225 15.943,226 12.187,227 12.187,228 12.187,229 12.187,230 12.187,231 10.229,232 25.264,233 4.037,234 12.739,235 3.892,236 2.058,237 0.75,238 0.506,239 0.506,240 0.506,241 3.865,244 1,245 1,246 1,247 421,248 3.162,251 37.321,252 44.41,253 48.096,255 72.759,256 79.625,258 1.38,259 27.777,260 1,261 1,262 1,263 1,264 1,265 1,266 1,267 1,268 1,269 1,270 50.5,271 201,272 4.54,273 3.862,274 6.946,275 4.269,276 3.308,277 4.089,278 1.674,279 11.728,280 3.183,281 4.235,282 3.696,283 6.483,284 3.9,285 2.915,286 3.598,287 1.21,288 9.994,289 2.857,290 3.764,291 3.252,292 5.931,293 3.474,294 2.512,295 3.065,296 1.2,297 8.029,298 2.424,299 3.63,300 2.805,301 5.503,302 3.342,303 2.373,304 2.826,305 0.647,306 7.06,307 2.281,308 3.295,309 2.478,310 5.197,311 3.032,312 2.062,313 2.399,314 0.293,315 6.204,316 1.986,317 2.825,318 2.138,319 4.503,320 2.411,321 1.473,322 1.854,323 0.29,324 3.959,325 1.376,326 2.539,327 1.812,328 4.086,329 2.12,330 1.181,331 1.475,333 3.123,334 1.1,335 2.296,336 1.681,337 3.936,338 2.097,339 1.151,340 1.244,342 2.903,343 1.083,344 2.077,345 1.515,346 3.435,347 1.765,348 0.784,349 0.922,350 1.542,351 0.757,352 2.019,353 1.229,354 3.049,355 1.643,356 0.618,357 0.817,358 1.363,359 0.625,360 1.637,361 0.642,362 2.835,363 1.461,364 0.469,365 0.53,366 0.757,367 0.464,368 1.02,369 0.314,370 2.669,371 0.819,372 -0.14,373 -0.15,374 -0.318,375 -0.134,376 0.742,377 0.082,378 2.226,379 0.44,380 -0.547,381 -0.653,382 -0.919,383 -0.533,384 0.66,385 -0.135,386 2.192,387 0.391,388 -0.596,389 -0.678,390 -1.276,391 -0.578,392 0.599,393 -0.543,394 2,395 0.184,396 -0.831,397 -1.163,398 -2.404,399 -0.841,400 10.7,401 0.465,402 0.61,403 0.027,404 26.5,405 1.152,406 11,407 0.478,408 15.5,409 0.674,410 20.374,411 0.886,412 25.9,413 0.589,414 20.602,415 0.896,416 5.245,417 0.228,418 5.817,419 0.253,420 0.202,422 0.402,424 0.704,425 1.611,426 0.785,427 1.303,428 0.546,429 1.094,430 0.835,431 0.953,432 0.809,433 0.793,434 0.529,435 0.775,436 0.81,437 1.123,438 0.834,439 1.028,440 0.694,441 0.948,442 1.173,443 1.167,444 1.064,445 1.121,446 1.51,447 1.086,448 1.288,449 1.072,450 1.144,451 1.022,452 1.393,453 1.053,454 1.194,455 1.11,456 1.152,457 1.141,458 1.173,459 1.124,460 1.304,461 0.82,462 1.203,463 0.908,464 1.148,465 1.014,466 0.674,467 0.875,468 0.966,469 1.01,470 0.605,471 1.04,472 4.5,473 0.029,474 3.333,475 2.035,476 1.888,477 1.199,478 0.674,479 0.275,480 0.19,481 0.066,482 4579,483 12110,484 2.016,485 47.7,486 5,487 11,488 2,492 3,494 1.665,495 1.84,496 3.046,497 -0.729,498 1,499 1,501 1,502 68.98,503 1.568,504 3.401,505 4.709,506 4.953,507 4.953,508 4.953,509 2.616,510 4.176,511 4.488,512 3.148,513 796.388,514 7.774,515 8528.33,517 1,519 1,520 240.215,521 1.538,522 4.428,523 0.18,524 0.007,525 0.093,526 0.047,527 0.045,528 0.034,529 0.025,530 0.014,531 0.016,532 0.009,533 0.471,534 0.33,535 1,536 1.375,537 104.29,538 -0.012,539 -0.349,540 0.07,541 -0.157,542 -0.031,543 -0.051,544 0.096,545 0.197,546 0.142,547 0.198,548 0.086,549 0.187,550 0.061,551 -0.011,552 0.096,553 0.012,554 0.055,555 0.051,556 -0.025,557 -0.104,558 -0.092,559 -0.115,560 -0.149,561 -0.123,562 -0.137,563 -0.062,564 -0.153,565 -0.054,566 -0.159,567 -0.102,568 -0.115,569 -0.104,570 -0.16,571 -0.202,572 -0.029,573 -0.182,574 -0.033,575 0.089,576 -0.171,577 0.013,578 0.125,579 -0.081,580 0.002,581 -0.023,582 -0.002,583 -0.041,584 0.008,585 -0.024,586 2.061,587 5.681,588 0.609,589 17.66,590 1.005,591 1.133,592 2.233,593 4.987,594 0.642,595 3.258,596 3.611,597 3.951,598 4.248,599 4.511,600 4.736,601 4.86,602 4.942,603 5.043,604 5.024,605 4.921,606 0.612,607 315.41,608 3.258,609 4.812,610 5.694,611 6.6,612 7.507,613 8.424,614 9.34,615 10.261,616 11.182,617 12.105,618 6.8,622 1,623 1,625 1,632 3,637 3,639 6,642 1,646 1,650 44,652 9,653 1,654 25,656 46,657 17,658 6,659 3,660 3,661 3,663 3,664 6,667 2,670 1,672 2,674 9,675 8,677 3,680 2,682 1,683 3,684 1,685 1,687 21,688 6,690 6,694 3,696 0.333,697 3,708 1,709 1,710 1,712 1,713 1,717 1,721 1,728 1,732 3,735 23,739 4,741 1,743 1,744 2,755 6.8,758 2,760 1,762 12.5,763 8.933,764 5.194,765 2.932,766 1.741,767 1.241,768 0.946,769 4.4,770 8.974,771 3.466,772 3.998,773 4.557,774 5.033,775 5.51,776 5.82,777 6.14,778 6.382,779 6.669,780 6.864,781 1,782 43,783 8.58,784 3.673,785 7.841,786 16.304,787 13.373,788 2.341,789 53.833,793 247.193,794 89.166,795 23.034,797 61.29,800 89.166,801 308.483,802 23.034,803 26.047,804 14.034,805 28.429,806 64.943,807 40.038,808 23.542,809 223.651,811 247.193,812 112.2,813 61.29,816 211.88,817 96.603,819 48.47,820 63.73,823 247.193,824 84.324,825 89.166,827 247.193,828 34.69,829 60.724,831 78.075,832 247.193,833 84.324,834 89.166,835 0.581,836 0.362,837 0.199,838 0.112,839 18,840 9,841 0.087,842 4,843 2,844 1.286,845 3.282,846 194.557,847 0.286,848 14,849 104.042,852 16.004,853 6.324,854 2.741,856 84.324,857 5.928,862 2.633,865 420.683,866 31,869 24.811,871 4.371,872 -0.013,873 44.24,874 49.86,876 0.287,877 0.623,878 0.863,879 0.907,880 0.907,881 0.907,882 4.741,883 1.151,884 5.707,885 3.123,886 4.29,887 4.682,888 2.584,889 6.592,890 4.215,891 5.938,892 0.784,893 7.318,894 2.903,895 4.007,896 4.559,897 0.57,898 7.642,899 3.916,900 7.258,901 0.618,902 9.03,903 1.542,904 5.953,905 6.782,906 3.188,907 10.789,908 5.811,909 8.612,910 0.469,911 10.799,912 1.363,913 6.494,914 7.468,915 1.064,916 12.648,917 6.331,918 10,919 -0.14,920 12.605,921 0.757,922 7.926,923 9.195,924 4.004,925 15.328,926 7.72,927 11.41,928 -0.547,929 14.435,930 -0.318,931 8.819,932 10.23,933 1.526,934 17.518,935 8.585,936 12.836,937 -0.596,938 16.282,939 -0.919,940 10.071,941 11.77,942 4.925,943 20.043,944 9.798,945 3.308,946 -0.831,947 18.143,948 -1.276,949 11.121,950 12.975,951 1.975,952 22.377,953 10.813,954 2.915,955 11.728,956 20.015,957 -2.404,958 12.314,959 14.436,960 5.901,961 24.848,962 11.968,963 2.512,964 9.994,965 21.895,966 4.089,967 13.433,968 15.727,969 2.413,970 27.245,971 13.05,972 2.373,973 8.029,974 23.782,975 3.598,976 14.61,977 17.154,978 6.905,979 29.7,980 14.188,981 2.062,982 7.06,983 25.675,984 3.065,985 15.762,986 18.492,987 2.842,988 32.127,989 15.301,990 1.473,991 6.204,992 27.572,993 2.826,994 16.937,995 19.903,996 7.922,997 34.578,998 16.437,999 1.181,1000 3.959,1001 29.475,1002 2.399,1003 18.105,1004 21.268,1005 3.262,1006 37.018,1007 17.565,1008 4649,1009 7662,1010 16.126,1011 28.233,1012 38.436,1013 40.03,1014 40.538,1015 37.733,1016 37.693,1017 45.636,1018 10.628,1019 113.326,1020 36.268,1021 5.485,1022 5.862,1023 6.715,1024 5.337,1025 5.308,1026 7.089,1027 3.349,1028 19.394,1029 5.183,1030 13.145,1031 1.537,1032 1.601,1033 1.622,1034 1.509,1035 1.508,1036 1.825,1037 0.425,1038 4.533,1039 1.451,1040 4.046,1041 4.083,1042 4.001,1043 3.94,1044 7.434,1045 3.948,1046 3.78,1047 3.817,1048 3.721,1049 3.631,1050 7.427,1051 3.648,1052 3.563,1053 3.616,1054 3.462,1055 3.331,1056 4.762,1057 3.35,1058 3.467,1059 3.541,1060 3.326,1061 3.237,1062 4.574,1063 3.241,1064 3.358,1065 3.438,1066 3.167,1067 3.193,1068 4.405,1069 3.18,1070 3.081,1071 3.104,1072 2.961,1073 2.828,1074 4.104,1075 2.85,1076 2.992,1077 3.035,1078 2.842,1079 2.794,1080 3.984,1081 2.804,1082 2.899,1083 3.013,1084 2.613,1085 2.678,1086 3.624,1087 2.647,1088 0.182,1089 0.154,1090 0.278,1091 0.171,1092 0.132,1093 4.54,1094 0.164,1095 3.862,1096 0.067,1097 6.946,1098 0.469,1099 4.269,1100 0.127,1101 3.308,1102 4.089,1103 1.674,1104 11.728,1105 3.183,1106 1.94,1107 1.917,1108 2.046,1109 2.028,1110 1.236,1111 2.034,1112 1.661,1113 1.616,1114 1.839,1115 1.882,1116 1.137,1117 1.868,1118 1.498,1119 1.438,1120 1.797,1121 1.77,1122 0.938,1123 1.77,1124 1.472,1125 1.404,1126 1.742,1127 1.679,1128 0.907,1129 1.703,1130 1.346,1131 1.277,1132 1.55,1133 1.591,1134 0.678,1135 1.587,1136 1.185,1137 1.097,1138 1.501,1139 1.43,1140 0.639,1141 1.462,1142 0.957,1143 0.901,1144 1.204,1145 1.194,1146 0.285,1147 1.204,1148 0.85,1149 0.789,1150 1.141,1151 1.163,1152 0.219,1153 1.143,1154 3.932,1156 5.273,1157 2.398,1158 6.812,1159 4.844,1160 8.443,1161 7.066,1162 10.126,1164 5.595,1169 1.985,1171 5.102,1173 -0.253,1174 3.672,1179 26.95,1180 68.98,1181 149.647,1182 207.195,1183 217.95,1184 217.95,1185 217.95,1186 44.975,1187 7.233,1188 62.21,1189 62.21,1190 18,1191 12.612,1192 3.322,1193 2.807,1194 36.526,1195 70,1196 78,1197 0.283,1198 166.467,1199 298.21,1200 397.94,1201 11634,1203 16.56,1204 0.72,1205 0.596,1206 16.56,1207 13.704,1208 11.062,1209 0.442,1210 0.317,1211 7.79,1212 10.529,1213 7.531,1214 6.257,1215 11.062,1216 7.929,1217 9.822,1218 0.273,1219 0.161,1220 9.822,1221 5.782,1222 8.816,1223 0.173,1224 0.086,1225 8.816,1226 4.372,1227 7.28,1228 0.106,1229 0.045,1230 7.28,1231 3.111,1232 5.843,1233 0.065,1234 0.024,1235 5.843,1236 2.154,1237 0.42,1238 70.086,1239 0.249,1240 21.79,1241 0.851,1242 122,1243 380.142,1244 136.687,1245 356.575,1246 483.02,1247 334,1248 148,1249 349.474,1250 163.801,1251 350.91,1252 523.21,1253 329,1254 8.824}
{0 CHEMBL454866,1 1.812,2 8.048,3 1.697,4 2.879,5 72.738,6 8.323,7 0.261,8 3.695,9 3.798,10 3.347,11 3.156,12 4.894,13 3.189,14 4.264,15 4.436,16 3.758,17 3.536,18 5.514,19 3.571,20 4.438,21 4.596,22 3.885,23 3.693,24 5.726,25 3.718,26 4.555,27 4.718,28 3.899,29 3.708,30 5.908,31 3.733,32 4.51,33 4.68,34 3.735,35 3.601,36 5.974,37 3.594,38 4.415,39 4.646,40 3.401,41 3.348,42 5.764,43 3.314,44 4.123,45 4.367,46 3.018,47 3.061,48 5.417,49 3.009,50 3.855,51 4.116,52 2.548,53 2.795,54 4.942,55 2.67,56 0.132,57 0.596,58 5.78,59 2.994,60 11.659,61 3.513,62 0.523,63 0.946,64 13.692,65 4.574,66 32.044,67 5.719,68 0.549,69 1.117,70 15.993,71 6.088,72 58.39,73 7.249,74 0.809,75 1.118,76 19.156,77 6.129,78 77,79 7.275,80 0.814,81 1.022,82 18.451,83 6.07,84 100.023,85 7.489,86 0.822,87 0.853,88 20.225,89 5.516,90 108.578,91 7.221,92 0.607,93 0.746,94 15.443,95 4.534,96 70.778,97 5.359,98 0.373,99 0.418,100 12.313,101 3.856,102 47.372,103 5.252,104 29,105 34,106 0.334,107 0.674,108 0.849,109 0.874,110 0.874,111 0.874,112 3.105,113 0.86,114 -3.52,115 -3.49,116 -3.33,118 40,119 1,123 1,124 1,125 1,127 1,135 3,136 1,137 2,147 1,149 2,159 2,161 4,162 5,166 2,168 3,169 4,173 2,175 5,176 5,183 1,184 5,190 2,191 6,198 4,204 1,208 2,215 2,216 480,217 13.991,218 13.991,219 13.991,220 13.991,221 13.991,222 12.821,223 18.985,224 8.025,225 14.473,226 11.256,227 11.256,228 11.256,229 11.256,230 11.256,231 9.311,232 22.074,233 3.676,234 11.929,235 3.318,236 1.473,237 0.522,238 0.386,239 0.386,240 0.386,241 3.777,244 1,245 1,246 1,247 357,248 3,251 33.567,252 79.194,254 59.239,255 67.036,258 1.297,259 36.625,261 1,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 48,271 169,272 4.602,273 3.957,274 7.128,275 4.347,276 3.396,277 4.11,278 1.674,279 12.365,280 3.234,281 4.198,282 3.671,283 6.429,284 3.828,285 2.847,286 3.594,287 1.45,288 9.816,289 2.78,290 3.716,291 3.19,292 5.928,293 3.375,294 2.421,295 3.023,296 1.115,297 7.916,298 2.302,299 3.557,300 2.946,301 5.631,302 3.258,303 2.316,304 2.744,305 0.648,306 7.11,307 2.163,308 3.293,309 2.59,310 4.966,311 2.943,312 2.005,313 2.424,314 0.523,315 5.718,316 1.858,317 2.794,318 2.066,319 4.308,320 2.342,321 1.419,322 1.796,323 0.11,324 3.636,325 1.304,326 2.485,327 1.808,328 4.086,329 2.091,330 1.156,331 1.415,333 2.948,334 1.071,335 2.235,336 1.676,337 3.855,338 1.914,339 0.94,340 1.137,342 2.474,343 0.907,344 2.056,345 1.241,346 3.229,347 1.72,348 0.737,349 0.89,350 1.318,351 0.711,352 1.599,353 1.129,354 2.984,355 1.339,356 0.347,357 0.41,358 0.816,359 0.34,360 1.172,361 0.429,362 2.649,363 0.788,364 -0.131,365 -0.159,366 -0.321,367 -0.117,368 0.688,369 0.282,370 2.362,371 0.396,372 -0.576,373 -0.634,374 -0.89,375 -0.544,376 0.671,377 -0.248,378 2,379 0.228,380 -0.766,381 -0.961,382 -2.086,383 -0.727,384 0.291,385 -0.446,386 2,387 0.087,388 -0.874,389 -1.105,390 -2.385,391 -0.847,392 0.071,393 -0.722,394 1.899,395 -0.284,396 -1.216,397 -1.471,398 -3.214,399 -1.109,400 9.486,401 0.452,402 0.631,403 0.03,404 25.75,405 1.226,406 11,407 0.524,408 14.75,409 0.702,410 15.803,411 0.753,412 23.514,413 0.672,414 20.226,415 0.963,416 5.404,417 0.257,418 4.637,419 0.221,420 0.206,422 0.453,423 1,424 0.66,425 1.374,426 0.637,427 1.267,428 0.529,429 1.015,430 0.769,431 0.87,432 0.713,433 0.733,434 0.533,435 0.686,436 0.928,437 1.162,438 0.832,439 1.076,440 0.848,441 0.956,442 1.11,443 0.95,444 1.038,445 0.943,446 1.274,447 0.96,448 0.987,449 0.946,450 1.149,451 1.222,452 1.058,453 1.246,454 1.076,455 0.866,456 1.077,457 0.874,458 0.983,459 0.948,460 1.476,461 1.108,462 1.344,463 1.02,464 1.436,465 1.095,466 0.884,467 0.733,468 0.975,469 0.989,470 0.937,471 1.037,472 4,473 0.029,474 3.111,475 1.965,476 2.135,477 1.008,478 0.526,479 0.206,480 0.123,481 0.046,482 3588,483 12665,484 2.018,485 40,487 8,488 3,492 3,494 1.639,495 1.826,496 2.955,497 -0.657,499 1,500 1,501 1,502 63.409,503 1.812,504 3.656,505 4.607,506 4.743,507 4.743,508 4.743,509 2.506,510 4.202,511 4.358,512 3.037,513 637.77,514 7.508,515 6374.28,516 1,517 1,519 1,520 179.525,521 1.545,522 4.289,523 0.174,524 0.014,525 0.092,526 0.052,527 0.058,528 0.035,529 0.026,530 0.016,531 0.015,532 0.009,533 0.491,534 0.67,535 1,536 1.33,537 91.766,538 -0.051,539 -0.315,540 0.056,541 -0.191,542 -0.036,543 -0.068,544 0.021,545 0.109,546 0.144,547 0.209,548 0.056,549 0.226,550 -0.053,551 -0.119,552 0.03,553 -0.07,554 -0.032,555 -0.013,556 -0.105,557 -0.022,558 -0.128,559 -0.007,560 -0.179,561 -0.065,562 0.008,563 -0.042,564 -0.225,565 -0.273,566 0.006,567 -0.325,568 -0.047,569 -0.068,570 -0.02,571 0.036,572 0.035,573 0.029,574 -0.211,575 0.168,576 -0.237,577 -0.036,578 -0.152,579 -0.105,580 -0.034,581 -0.094,582 0.106,583 -0.001,584 -0.062,585 0.069,586 2.199,587 5.363,588 0.619,589 14.517,590 1.031,591 1.142,592 2.287,593 5.232,594 0.654,595 3.178,596 3.555,597 3.912,598 4.248,599 4.522,600 4.673,601 4.779,602 4.905,603 4.898,604 4.718,605 4.584,606 0.65,607 291.31,608 3.178,609 4.745,610 5.638,611 6.561,612 7.482,613 8.413,614 9.344,615 10.279,616 11.214,617 12.151,618 8.6,622 1,623 1,625 1,632 3,637 3,639 6,642 1,646 1,649 1,650 35,652 9,653 1,654 23,656 37,657 14,658 6,659 3,660 3,661 3,663 3,664 6,667 1,674 9,675 5,677 3,680 2,682 1,683 3,684 1,685 1,686 1,687 14,688 7,690 7,694 3,696 0.333,697 3,708 1,709 2,711 1,712 1,717 1,721 1,728 1,732 2,734 1,735 21,739 2,741 1,743 1,744 2,754 1,755 8.6,758 2,760 1,762 11.5,763 7.076,764 4.639,765 2.143,766 1.75,767 1.249,768 0.956,769 3.416,770 8.787,771 3.401,772 3.961,773 4.525,774 5.03,775 5.518,776 5.782,777 6.097,778 6.405,779 6.665,780 6.724,781 0.833,782 38,783 7.847,784 3.494,785 8.206,786 14.318,787 11.765,788 2.706,789 56.833,793 164.795,794 81.636,795 23.034,797 61.29,798 14.96,800 81.636,801 226.085,802 37.994,803 17.222,804 9.394,805 28.429,806 64.943,807 45.973,808 50.273,809 129.482,811 164.795,812 104.67,813 76.25,816 144.442,817 96.603,819 35.004,820 69.666,823 179.756,824 84.324,825 81.636,827 164.795,828 35.985,829 51.899,831 93.035,832 164.795,833 99.284,834 81.636,835 0.589,836 0.366,837 0.209,838 0.12,839 18,840 9,841 0.081,842 3,843 2,844 1.308,845 3.124,846 172.764,847 0.308,848 13,849 92.239,852 14.021,853 5.117,854 2.105,856 99.284,857 4.024,862 0.376,865 345.715,866 29,869 24.304,871 4.185,872 -0.678,873 36.102,874 39.954,876 0.353,877 0.713,878 0.898,879 0.925,880 0.925,881 0.925,882 4.687,883 0.94,884 5.666,885 2.948,886 4.234,887 4.644,888 2.648,889 6.581,890 4.133,891 5.901,892 0.737,893 7.295,894 2.474,895 4.007,896 4.559,897 0.884,898 7.684,899 3.868,900 7.231,901 0.347,902 9.026,903 1.318,904 5.922,905 6.764,906 3.278,907 10.864,908 5.732,909 8.595,910 -0.131,911 10.815,912 0.816,913 6.509,914 7.467,915 1.687,916 12.783,917 6.282,918 9.991,919 -0.576,920 12.641,921 -0.321,922 7.937,923 9.19,924 4.105,925 15.511,926 7.664,927 11.41,928 -0.766,929 14.492,930 -0.89,931 8.876,932 10.239,933 2.475,934 17.766,935 8.56,936 12.847,937 -0.874,938 16.361,939 -2.086,940 10.142,941 11.781,942 5.023,943 20.346,944 9.781,945 3.396,946 -1.216,947 18.245,948 -2.385,949 11.234,950 12.996,951 3.254,952 22.745,953 10.826,954 2.847,955 12.365,956 20.141,957 -3.214,958 12.452,959 14.462,960 5.987,961 25.276,962 11.996,963 2.421,964 9.816,965 22.045,966 4.11,967 13.611,968 15.763,969 4.023,970 27.737,971 13.105,972 2.316,973 7.916,974 23.958,975 3.594,976 14.817,977 17.194,978 6.976,979 30.252,980 14.263,981 2.005,982 7.11,983 25.876,984 3.023,985 16.006,986 18.541,987 4.785,988 32.741,989 15.4,990 1.419,991 5.718,992 27.801,993 2.744,994 17.214,995 19.958,996 7.98,997 35.252,998 16.558,999 1.156,1000 3.636,1001 29.73,1002 2.424,1003 18.417,1004 21.33,1005 5.542,1006 37.754,1007 17.709,1008 3647,1009 6927,1010 14.74,1011 22.887,1012 35.853,1013 37.757,1014 37.954,1015 35.272,1016 35.167,1017 43.086,1018 11.039,1019 108.238,1020 33.336,1021 5.552,1022 5.957,1023 6.897,1024 5.42,1025 5.396,1026 7.11,1027 3.349,1028 20.365,1029 5.234,1030 12.166,1031 1.559,1032 1.642,1033 1.65,1034 1.534,1035 1.529,1036 1.873,1037 0.48,1038 4.706,1039 1.449,1040 4.044,1041 4.081,1042 4.011,1043 3.917,1044 8.201,1045 3.933,1046 3.734,1047 3.764,1048 3.692,1049 3.563,1050 7.434,1051 3.591,1052 3.511,1053 3.57,1054 3.395,1055 3.278,1056 7.426,1057 3.284,1058 3.384,1059 3.454,1060 3.267,1061 3.14,1062 4.736,1063 3.164,1064 3.099,1065 3.129,1066 2.992,1067 2.845,1068 4.505,1069 2.877,1070 2.988,1071 3.04,1072 2.829,1073 2.792,1074 4.386,1075 2.783,1076 2.823,1077 2.881,1078 2.725,1079 2.614,1080 4.004,1081 2.631,1082 2.562,1083 2.657,1084 2.37,1085 2.316,1086 3.622,1087 2.308,1088 0.2,1089 0.172,1090 0.31,1091 0.189,1092 0.148,1093 4.602,1094 0.179,1095 3.957,1096 0.073,1097 7.128,1098 0.538,1099 4.347,1100 0.141,1101 3.396,1102 4.11,1103 1.674,1104 12.365,1105 3.234,1106 1.93,1107 1.907,1108 2.003,1109 2.058,1110 1.177,1111 2.04,1112 1.579,1113 1.545,1114 1.81,1115 1.819,1116 0.942,1117 1.801,1118 1.456,1119 1.386,1120 1.701,1121 1.7,1122 0.855,1123 1.708,1124 1.323,1125 1.252,1126 1.53,1127 1.582,1128 0.699,1129 1.574,1130 1.148,1131 1.082,1132 1.408,1133 1.414,1134 0.544,1135 1.413,1136 0.96,1137 0.901,1138 1.183,1139 1.193,1140 0.231,1141 1.185,1142 0.758,1143 0.709,1144 1.033,1145 1.055,1146 0.119,1147 1.041,1148 0.603,1149 0.559,1150 0.918,1151 0.914,1152 0.005,1153 0.911,1154 3.85,1156 5.209,1157 2.398,1158 6.781,1159 4.727,1160 8.461,1161 6.88,1162 10.203,1164 3.271,1166 13.352,1169 0.471,1171 4.971,1173 -0.602,1174 3.16,1179 22.753,1180 63.409,1181 127.961,1182 161.26,1183 166.015,1184 166.015,1185 166.015,1186 46.631,1187 7.037,1188 62.21,1189 62.21,1190 17,1191 12.649,1192 3.322,1193 2.807,1194 31.932,1195 58,1196 68,1197 0.294,1198 138.888,1199 252.38,1200 330.648,1201 8849,1202 2.9,1203 15.146,1204 0.721,1205 0.556,1206 14.276,1207 11.668,1208 10.041,1209 0.437,1210 0.287,1211 6.428,1212 9.398,1213 6.274,1214 5.161,1215 9.647,1216 6.591,1217 9.213,1218 0.271,1219 0.142,1220 8.579,1221 4.826,1222 8.176,1223 0.167,1224 0.074,1225 7.834,1226 3.603,1227 7.025,1228 0.102,1229 0.039,1230 6.813,1231 2.665,1232 5.778,1233 0.063,1234 0.02,1235 5.455,1236 1.781,1237 0.434,1238 64.788,1239 0.26,1240 20.057,1241 0.895,1242 114,1243 458.253,1244 132.907,1245 401.883,1246 531,1247 374,1248 140,1249 376.159,1250 159.378,1251 369.416,1252 553.29,1253 346,1254 9.301}
{0 CHEMBL458144,1 1.566,2 8.13,3 4.585,4 21.021,5 99.167,6 8.386,7 0.24,8 3.85,9 3.944,10 3.613,11 3.576,12 4.841,13 3.459,14 4.458,15 4.603,16 4.112,17 4.073,18 5.361,19 3.912,20 4.791,21 4.946,22 4.208,23 4.254,24 5.797,25 4.082,26 5.003,27 5.245,28 4.215,29 4.246,30 5.964,31 4.046,32 4.787,33 4.972,34 4.033,35 4.109,36 5.876,37 3.924,38 4.719,39 4.926,40 3.951,41 4.04,42 5.862,43 3.834,44 4.648,45 4.879,46 3.763,47 3.902,48 5.648,49 3.681,50 4.362,51 4.568,52 3.414,53 3.677,54 5.344,55 3.463,56 0.008,57 0.546,58 8.974,59 4.832,60 5.55,61 6.071,62 0.079,63 1.041,64 28.014,65 10.783,66 18.524,67 11.905,68 0.185,69 1.369,70 32.477,71 13.238,72 45.614,73 15.48,74 0.379,75 1.704,76 51.936,77 17.843,78 68.116,79 19.926,80 0.407,81 1.373,82 38.851,83 13.919,84 76.342,85 14.502,86 0.377,87 1.296,88 36.704,89 13.362,90 78.981,91 15.027,92 0.365,93 1.17,94 40.277,95 12.592,96 64.06,97 13.645,98 0.098,99 0.852,100 20.797,101 8.307,102 28.567,103 10.546,104 38,105 38,106 0.276,107 0.596,108 0.809,109 0.825,110 0.825,111 0.825,112 3.19,113 1.253,114 -5.19,115 -5.08,116 -4.75,118 40.9,119 2,120 2,121 2,122 1,123 1,126 1,127 1,135 4,136 1,137 1,147 1,148 1,159 10,162 3,166 19,169 6,173 12,176 9,180 13,184 2,187 13,190 1,191 5,195 13,198 2,202 12,204 2,208 8,215 2,216 689,217 14.886,218 14.886,219 14.886,220 14.886,221 14.886,222 13.913,223 11.084,224 8.326,225 15.412,226 12.243,227 12.243,228 12.243,229 12.243,230 12.243,231 10.714,232 7.793,233 3.862,234 13.023,235 3.893,236 2.079,237 0.87,238 0.779,239 0.779,240 0.779,241 3.859,243 1,245 1,246 1,247 394,248 3.24,251 47.126,252 126.279,254 88.054,258 1.278,259 27.592,261 1,262 1,263 1,264 1,265 1,266 1,267 1,268 1,269 1,270 48.333,271 187,272 4.483,273 5.042,274 7.083,275 4.409,276 3.426,277 3.805,278 4.84,279 12.253,280 3.381,281 4.219,282 4.122,283 6.645,284 4.038,285 3.058,286 3.498,287 2.308,288 10.697,289 3.002,290 3.963,291 3.769,292 6.314,293 3.772,294 2.783,295 3.12,296 2.178,297 9.352,298 2.749,299 3.705,300 3.375,301 5.561,302 3.313,303 2.376,304 2.933,305 0.995,306 7.038,307 2.224,308 3.337,309 3.079,310 5.061,311 3.004,312 2.039,313 2.469,315 5.902,316 1.891,317 2.989,318 2.911,319 5.011,320 2.737,321 1.886,322 2.017,324 5.618,325 1.558,326 2.706,327 2.71,328 4.651,329 2.396,330 1.424,331 1.688,333 4.329,334 1.33,335 2.5,336 2.257,337 3.722,338 2,339 1,340 1.5,342 2.275,343 1,344 2.055,345 1.964,346 3.414,347 1.671,348 0.719,349 0.877,350 1.901,351 0.645,352 1.495,353 1.419,354 3.247,355 1.256,356 0.441,357 0.451,358 0.728,359 0.347,360 1.114,361 1,362 3.1,363 0.759,364 -0.16,365 -0.17,366 -0.405,367 -0.131,368 1,369 0.921,370 2.654,371 0.618,372 -0.292,373 -0.369,374 -0.657,375 -0.224,376 0.762,377 0.475,378 2.445,379 0.586,380 -0.438,381 -0.504,382 -1.228,383 -0.451,384 0.5,385 0.354,386 2.157,388 -1,389 -1,390 -2.613,391 -0.839,392 0.144,393 0.072,394 2,396 -1,397 -1.078,398 -2.964,399 -0.966,400 12.048,401 0.524,402 0.852,403 0.037,404 22.25,405 0.967,406 9,407 0.391,408 13.25,409 0.576,410 29.679,411 1.29,412 25.152,413 0.572,414 11.97,415 0.52,416 2.734,417 0.119,418 8.086,419 0.352,420 0.239,421 0.042,422 0.332,424 0.483,425 0.952,426 0.66,427 0.815,428 0.508,429 0.894,430 0.549,431 1.016,432 0.919,433 1.028,434 0.505,435 0.915,436 0.966,437 1.219,438 0.981,439 1.125,440 1.016,441 1.193,442 0.953,443 0.908,444 0.854,445 0.945,446 1.06,447 0.826,448 1.614,449 1.035,450 1.075,451 1.076,452 1.853,453 1.022,454 0.728,455 1.129,456 0.987,457 1.144,458 0.763,459 1.073,460 1.311,461 0.915,462 1.035,463 0.97,464 1.379,465 0.942,466 0.771,467 1.323,468 0.951,469 1.111,470 0.736,471 1.34,472 6.5,473 0.012,474 3.333,475 2.854,476 2.113,477 1.209,478 0.66,479 0.332,480 0.216,481 0.172,482 4736,483 14129,484 1.981,485 47.7,486 8,487 8,488 1,491 3,492 1,494 1.664,495 1.781,496 2.975,497 -0.772,502 68.918,503 1.566,504 3.38,505 4.59,506 4.681,507 4.681,508 4.681,509 2.442,510 4.002,511 4.494,512 3.139,513 794.095,514 7.776,515 8669.91,517 1,520 240.215,521 1.762,522 4.403,523 0.26,524 0.002,525 0.088,526 0.073,527 0.056,528 0.038,529 0.023,530 0.014,531 0.013,532 0.022,533 0.589,534 0.5,535 1,536 0.899,537 104.739,538 0.001,539 0.076,540 0.049,541 0.086,542 -0.016,543 0.06,544 0.021,545 0.044,546 0.044,547 0.047,548 0.039,549 0.086,550 -0.069,551 -0.222,552 -0.114,553 -0.18,554 -0.073,555 -0.241,556 0.048,557 0.086,558 0.103,559 0.075,560 0.017,561 0.161,562 -0.229,563 -0.005,564 -0.132,565 -0.031,566 -0.217,567 -0.077,568 0.193,569 -0.118,570 -0.047,571 -0.118,572 0.232,573 -0.093,574 -0.168,575 0.076,576 -0.049,577 0.048,578 -0.141,579 0.033,580 -0.06,581 -0.403,582 -0.166,583 -0.291,584 -0.086,585 -0.389,586 1.524,587 6.008,588 0.652,589 16.212,590 0.997,591 1.108,592 3.959,593 15.672,594 0.714,595 3.258,596 3.664,597 3.932,598 4.263,599 4.511,600 4.663,601 4.673,602 4.71,603 4.7,604 4.673,605 4.982,606 0.646,607 368.98,608 3.258,609 4.844,610 5.714,611 6.642,612 7.537,613 8.472,614 9.378,615 10.315,616 11.226,617 12.165,632 4,637 2,639 6,641 1,649 1,650 44,652 8,653 1,654 25,656 46,657 18,658 6,659 2,660 4,661 1,663 3,664 4,665 1,667 2,668 1,669 1,670 3,671 2,672 3,674 8,675 10,676 2,677 2,680 2,683 2,685 1,687 21,688 2,690 5,691 3,696 0.667,697 2,708 1,709 2,711 1,718 1,728 2,729 2,730 2,732 3,733 1,735 23,739 2,742 2,743 4,745 1,751 1,754 1,755 4.5,758 2,762 12.917,763 8.726,764 4.917,765 2.612,766 1.085,767 1.155,768 0.913,769 4.882,770 8.08,771 3.434,772 3.961,773 4.385,774 4.839,775 5.23,776 5.384,777 5.43,778 5.534,779 5.742,780 5.963,781 1,782 39,783 8.641,784 3.843,785 7.762,786 16.766,787 14.856,788 2.262,789 52.028,792 1,793 247.193,794 149.207,796 39.149,797 50.29,799 64.439,800 84.768,801 336.632,803 24.841,804 5.069,805 37.905,806 60.557,807 6.686,808 11.771,809 299.861,810 39.149,811 247.193,812 84.768,813 50.29,814 103.588,816 235.422,817 62.061,819 22.719,820 62.048,821 39.149,822 64.439,823 247.193,824 50.29,825 188.356,827 247.193,828 86.461,829 62.746,831 89.438,832 247.193,833 50.29,834 188.356,835 0.603,836 0.35,837 0.193,838 0.113,839 20,840 10,841 0.065,842 3,843 1,844 1.133,845 3.285,846 193.421,847 0.133,848 15,849 98.042,850 2,852 17.384,853 6.459,854 3.358,856 50.29,857 7.104,862 1.331,865 485.839,866 30,869 25.662,872 0.48,873 43.851,874 48.77,876 0.287,877 0.619,878 0.841,879 0.857,880 0.857,881 0.857,882 4.749,883 1,884 5.784,885 4.329,886 4.344,887 4.644,888 4.219,889 6.701,890 4.259,891 5.967,892 0.719,893 7.419,894 2.275,895 4.29,896 4.605,897 2.036,898 7.953,899 4.204,900 7.301,901 0.441,902 9.156,903 1.901,904 6.098,905 6.674,906 7.078,907 11.005,908 5.986,909 8.66,910 -0.16,911 10.951,912 0.728,913 6.781,914 7.325,915 3.746,916 12.997,917 6.674,918 10.045,919 -0.292,920 12.78,921 -0.405,922 8.167,923 8.978,924 10.171,925 15.653,926 8.044,927 11.448,928 -0.438,929 14.633,930 -0.657,931 9.149,932 9.922,933 5.379,934 17.933,935 9.026,936 12.865,937 -1,938 16.503,939 -1.228,940 10.4,941 11.418,942 13.313,943 20.465,944 10.265,945 3.426,946 -1,947 18.386,948 -2.613,949 11.509,950 12.508,951 6.973,952 22.861,953 11.367,954 3.058,955 12.253,956 20.279,957 -2.964,958 12.719,959 13.931,960 16.464,961 25.355,962 12.566,963 2.783,964 10.697,965 22.179,966 3.805,967 13.881,968 15.102,969 8.548,970 27.801,971 13.718,972 2.376,973 9.352,974 24.086,975 3.498,976 15.083,977 16.486,978 19.617,979 30.286,980 14.909,981 2.039,982 7.038,983 25.999,984 3.12,985 16.272,986 17.71,987 10.114,988 32.755,989 16.085,990 1.886,991 5.902,992 27.916,993 2.933,994 17.476,995 19.071,996 22.771,997 35.241,998 17.277,999 1.424,1000 5.618,1001 29.836,1002 2.469,1003 18.677,1004 20.328,1005 11.675,1006 37.723,1007 18.467,1008 4760,1009 8305,1010 15.72,1011 31.438,1012 38.906,1013 45.746,1014 40.735,1015 38.312,1016 38.304,1017 44.716,1018 20.643,1019 120.187,1020 36.252,1021 5.483,1022 7.042,1023 6.603,1024 5.548,1025 5.426,1026 6.805,1027 9.681,1028 19.838,1029 5.381,1030 14.221,1031 1.556,1032 1.83,1033 1.629,1034 1.532,1035 1.532,1036 1.789,1037 0.826,1038 4.807,1039 1.45,1040 4.028,1041 4.05,1042 4.189,1043 3.987,1044 7.428,1045 3.955,1046 3.883,1047 3.905,1048 3.984,1049 3.829,1050 7.423,1051 3.815,1052 3.578,1053 3.616,1054 3.7,1055 3.549,1056 4.931,1057 3.481,1058 3.335,1059 3.353,1060 3.568,1061 3.247,1062 4.352,1063 3.2,1064 3.206,1065 3.266,1066 3.315,1067 3.075,1068 4.269,1069 3.023,1070 3.049,1071 3.082,1072 3.165,1073 2.899,1074 4.064,1075 2.891,1076 2.874,1077 3.009,1078 2.839,1079 2.735,1080 3.79,1081 2.715,1082 2.854,1083 2.925,1084 2.786,1085 2.675,1086 3.674,1087 2.587,1088 0.179,1089 0.202,1090 0.283,1091 0.176,1092 0.137,1093 4.483,1094 0.152,1095 5.042,1096 0.194,1097 7.083,1098 0.49,1099 4.409,1100 0.135,1101 3.426,1102 3.805,1103 4.84,1104 12.253,1105 3.381,1106 1.94,1107 1.915,1108 2.093,1109 2.048,1110 1.494,1111 2.064,1112 1.879,1113 1.854,1114 1.978,1115 1.962,1116 1.116,1117 1.976,1118 1.482,1119 1.463,1120 1.695,1121 1.622,1122 1.041,1123 1.663,1124 1.446,1125 1.415,1126 1.546,1127 1.543,1128 0.935,1129 1.592,1130 1.182,1131 1.123,1132 1.466,1133 1.4,1134 0.627,1135 1.451,1136 1.006,1137 0.963,1138 1.417,1139 1.239,1140 0.518,1141 1.308,1142 0.934,1143 0.821,1144 1.243,1145 1.224,1146 0.469,1147 1.243,1148 0.886,1149 0.812,1150 1.191,1151 1.077,1152 0.402,1153 1.136,1154 3.932,1156 5.313,1157 2.398,1158 6.882,1159 4.844,1160 8.54,1161 7.066,1162 10.247,1164 6.32,1165 5.924,1169 1.575,1172 3.397,1173 0.244,1175 -0.009,1179 28.426,1180 68.918,1181 148.728,1182 201.95,1183 205.95,1184 205.95,1185 205.95,1186 59.605,1187 6.995,1188 34.14,1189 84.74,1190 17,1191 12.666,1192 3.17,1193 2.585,1194 36.558,1195 67,1196 80,1197 0.275,1198 185.203,1199 328.59,1200 443.654,1201 8472,1202 2.3,1203 16.776,1204 0.729,1205 0.693,1206 17.983,1207 15.933,1208 10.82,1209 0.433,1210 0.418,1211 8.028,1212 9.537,1213 7.417,1214 6.126,1215 12.075,1216 10.439,1217 10.738,1218 0.283,1219 0.269,1220 12.3,1221 10.235,1222 8.487,1223 0.17,1224 0.164,1225 10.277,1226 8.195,1227 7.424,1228 0.106,1229 0.1,1230 9.151,1231 6.997,1232 5.871,1233 0.065,1234 0.065,1235 7.688,1236 5.815,1237 0.41,1238 78.912,1239 0.252,1240 21.885,1241 0.819,1242 126,1243 323.395,1244 195.871,1245 383.8,1246 495.1,1247 356,1248 151,1249 290.564,1250 205.719,1251 330.495,1252 488.45,1253 307,1254 6.678}
{0 CHEMBL458147,1 1.76,2 8.304,3 2.664,4 7.099,5 84.798,6 8.559,7 0.44,8 3.782,9 3.884,10 3.464,11 3.301,12 4.954,13 3.304,14 4.329,15 4.493,16 3.931,17 3.701,18 5.536,19 3.708,20 4.548,21 4.677,22 4.004,23 3.865,24 5.808,25 3.848,26 4.704,27 4.92,28 4.03,29 3.862,30 5.947,31 3.837,32 4.53,33 4.673,34 3.936,35 3.694,36 5.977,37 3.696,38 4.403,39 4.592,40 3.709,41 3.547,42 5.774,43 3.51,44 4.273,45 4.477,46 3.428,47 3.473,48 5.372,49 3.379,50 4.211,51 4.433,52 3.103,53 3.368,54 5.271,55 3.219,56 0.084,57 0.57,58 6.279,59 3.362,60 6.748,61 4.039,62 0.405,63 0.908,64 14.873,65 5.623,66 30.762,67 7.088,68 0.522,69 1.063,70 19.232,71 7.211,72 39.998,73 8.187,74 0.709,75 1.16,76 27.005,77 8.356,78 57.575,79 10.988,80 0.679,81 0.962,82 20.006,83 6.363,84 86.727,85 7.029,86 0.66,87 0.848,88 18.641,89 5.549,90 86.704,91 6.646,92 0.451,93 0.744,94 20.062,95 5.183,96 29.927,97 6.406,98 0.27,99 0.666,100 15.175,101 6.253,102 31.173,103 8.129,104 53,105 39,106 0.314,107 0.658,108 0.748,109 0.77,110 0.77,111 0.77,112 3.19,113 0.894,114 -4.06,115 -4.01,116 -3.79,118 41,119 3,123 1,128 1,135 3,136 1,137 2,139 1,145 1,149 2,151 1,159 2,161 4,162 7,166 7,168 3,169 4,173 4,175 5,176 7,183 1,184 10,190 2,191 10,198 5,204 3,208 6,211 2,215 6,216 650,217 14.516,218 14.516,219 14.516,220 14.516,221 14.516,222 13.046,223 20.517,224 8.018,225 14.99,226 12.295,227 12.295,228 12.295,229 12.295,230 12.295,231 9.856,232 25.253,233 3.786,234 13.099,235 3.526,236 1.603,237 1.097,238 0.975,239 0.975,240 0.975,241 3.856,243 1,244 1,245 1,246 1,247 399,248 3.742,251 38.474,252 91.499,254 68.052,255 77.235,258 1.474,259 31.594,261 1,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 50.833,271 191,272 4.714,273 3.856,274 7.13,275 4.351,276 3.402,277 4.401,278 1.674,279 12.373,280 3.233,281 4.267,282 3.72,283 6.521,284 4.079,285 3.136,286 3.83,287 1.2,288 10.306,289 2.946,290 4.071,291 3.223,292 6.347,293 3.774,294 2.797,295 3.19,296 0.293,297 9.633,298 2.721,299 3.71,300 3.012,301 5.928,302 3.367,303 2.417,304 2.989,306 7.915,307 2.288,308 3.605,309 2.908,310 5.579,311 3.189,312 2.263,313 2.872,315 6.965,316 2.075,317 3.287,318 2.507,319 4.962,320 2.875,321 1.952,322 2.466,324 5.692,325 1.709,326 2.747,327 1.764,328 4.255,329 2.271,330 1.315,331 1.828,333 3.457,334 1.247,335 2.468,336 1.49,337 4.082,338 1.923,339 0.965,340 1.405,342 2.755,343 0.915,344 2.429,345 1.158,346 3.829,347 1.888,348 0.922,349 1.319,350 2.467,351 0.871,352 1.79,353 0.817,354 3.228,355 1.341,356 0.351,357 0.466,358 0.836,359 0.343,360 1.196,361 0.731,362 2.986,363 0.749,364 -0.122,365 -0.15,366 -0.306,367 -0.089,368 0.882,369 0.371,370 2.665,371 0.517,372 -0.437,373 -0.519,374 -1.211,375 -0.396,376 0.689,377 -0.27,378 2.362,379 0.21,380 -0.765,381 -0.986,382 -2.086,383 -0.639,384 0.422,385 -0.484,386 2,387 0.069,388 -0.874,389 -1,390 -2.39,391 -0.844,392 0.106,393 -0.799,394 2,396 -1,397 -1,398 -3,399 -1,400 10.914,401 0.475,402 0.985,403 0.043,404 29.25,405 1.272,406 13.5,407 0.587,408 15.75,409 0.685,410 20.061,411 0.872,412 25.086,413 0.643,414 22.403,415 0.974,416 5.605,417 0.244,418 5.082,419 0.221,420 0.31,421 0.046,422 0.394,424 0.693,425 1.564,426 0.575,427 1.112,428 0.576,429 0.958,430 0.676,431 0.917,432 0.5,433 0.677,434 0.473,435 0.599,436 1.256,437 1.268,438 1.043,439 1.126,440 0.896,441 1.098,442 0.877,443 0.856,444 0.648,445 0.722,446 1.115,447 0.685,448 1.497,449 1.236,450 0.966,451 1.138,452 1.973,453 1.114,454 1.325,455 0.997,456 0.987,457 0.797,458 1.169,459 0.923,460 1.266,461 0.798,462 1.617,463 1.12,464 0.807,465 1.203,466 0.742,467 1.124,468 0.818,469 1.26,470 0.855,471 1.316,472 6.5,473 0.087,474 3.333,475 2.34,476 2.375,477 1.181,478 0.8,479 0.369,480 0.263,481 0.074,482 4622,483 15129,484 1.956,485 41,487 6,489 1,492 9,494 1.663,495 1.736,496 3.01,497 -0.686,498 1,499 1,501 1,502 68.621,503 1.76,504 3.682,505 4.188,506 4.31,507 4.31,508 4.31,509 2.541,510 4.143,511 4.492,512 3.166,513 800.959,514 7.768,515 8598.72,516 1,517 1,518 1,519 1,520 206.131,521 1.754,522 4.388,523 0.26,524 0.022,525 0.085,526 0.059,527 0.058,528 0.036,529 0.031,530 0.019,531 0.019,532 0.008,533 0.597,534 0.5,535 1,536 1.309,537 104.552,538 -0.042,539 -0.369,540 0.033,541 -0.152,542 -0.077,543 -0.057,544 0.174,545 0.205,546 0.251,547 0.253,548 0.153,549 0.317,550 -0.155,551 -0.199,552 -0.195,553 -0.17,554 -0.084,555 -0.209,556 0.116,557 0.126,558 0.217,559 0.207,560 0.029,561 0.279,562 -0.154,563 -0.212,564 -0.121,565 -0.227,566 -0.22,567 -0.255,568 -0.112,569 0.029,570 -0.073,571 0.102,572 0.038,573 -0.034,574 -0.308,575 0.257,576 -0.428,577 -0.159,578 -0.098,579 -0.268,580 0.005,581 -0.251,582 -0.053,583 -0.256,584 -0.005,585 -0.257,586 2.233,587 5.564,588 0.565,589 16.904,590 1.02,591 1.128,592 2.827,593 7.994,594 0.681,595 3.258,596 3.689,597 3.951,598 4.304,599 4.564,600 4.727,601 4.86,602 5.004,603 5.011,604 4.913,605 4.981,606 0.66,607 333.8,608 3.258,609 4.86,610 5.733,611 6.673,612 7.574,613 8.516,614 9.43,615 10.372,616 11.295,617 12.237,618 7.7,623 1,624 1,626 1,632 4,633 1,637 5,638 1,639 11,642 1,643 1,649 1,650 39,652 13,653 1,654 25,656 41,657 16,658 9,659 3,660 3,661 2,663 3,664 6,665 1,667 3,674 11,675 5,676 1,677 2,680 2,683 2,684 1,685 1,687 16,688 5,690 7,691 1,692 1,694 3,696 0.333,697 3,708 1,709 2,711 1,712 1,728 1,732 4,733 1,735 23,741 1,744 1,745 1,754 1,755 7.7,758 2,760 1,762 13.25,763 8.576,764 4.764,765 2.23,766 2.398,767 1.333,768 0.948,769 3.734,770 9.597,771 3.512,772 4.155,773 4.742,774 5.374,775 5.881,776 6.282,777 6.668,778 7.049,779 7.352,780 7.487,781 0.833,782 40,783 8.53,784 3.735,785 8.001,786 15.749,787 12.894,788 2.501,789 57.528,793 188.338,794 98.343,795 21.809,796 39.149,797 61.29,800 98.343,801 288.776,802 21.809,803 34.872,804 3.124,805 28.429,806 99.361,807 27.427,809 176.567,810 39.149,811 188.338,812 120.152,813 61.29,814 39.149,816 82.398,817 167.23,819 45.202,820 58.164,821 55.934,823 188.338,824 83.099,825 137.492,827 188.338,828 26.424,829 76.943,831 117.224,832 188.338,833 83.099,834 137.492,835 0.613,836 0.34,837 0.191,838 0.108,839 21,840 11,841 0.073,842 3,843 2,844 1.308,845 3.234,846 196.072,847 0.308,848 13,849 99.287,852 16.029,853 5.357,854 2.75,856 81.2,857 6.526,858 4.15,862 2.062,863 1.687,865 408.928,866 32.5,869 24.918,872 -0.816,873 39.796,874 43.974,876 0.333,877 0.697,878 0.792,879 0.815,880 0.815,881 0.815,882 4.818,883 0.965,884 5.82,885 3.457,886 4.369,887 4.84,888 2.25,889 6.751,890 4.253,891 6.089,892 0.922,893 7.466,894 2.755,895 4.369,896 4.913,897 0.325,898 8.001,899 4.196,900 7.45,901 0.351,902 9.212,903 2.467,904 6.138,905 7.072,906 3.008,907 11.064,908 5.919,909 8.841,910 -0.122,911 11.012,912 0.836,913 6.847,914 7.883,915 0.653,916 13.029,917 6.577,918 10.259,919 -0.437,920 12.844,921 -0.306,922 8.212,923 9.608,924 3.907,925 15.702,926 7.895,927 11.696,928 -0.765,929 14.698,930 -1.211,931 9.202,932 10.755,933 1.001,934 17.958,935 8.833,936 13.148,937 -0.874,938 16.567,939 -2.086,940 10.441,941 12.318,942 4.874,943 20.507,944 10.024,945 3.402,946 -1,947 18.448,948 -2.39,949 11.547,950 13.628,951 1.37,952 22.892,953 11.078,954 3.136,955 12.373,956 20.338,957 -3,958 12.749,959 15.129,960 5.875,961 25.401,962 12.23,963 2.797,964 10.306,965 22.237,966 4.401,967 13.906,968 16.52,969 1.754,970 27.848,971 13.333,972 2.417,973 9.633,974 24.142,975 3.83,976 15.1,977 17.998,978 6.892,979 30.347,980 14.476,981 2.263,982 7.915,983 26.053,984 3.19,985 16.28,986 19.429,987 2.143,988 32.824,989 15.603,990 1.952,991 6.965,992 27.969,993 2.989,994 17.476,995 20.9,996 7.916,997 35.324,998 16.747,999 1.315,1000 5.692,1001 29.89,1002 2.872,1003 18.669,1004 22.351,1005 2.535,1006 37.816,1007 17.887,1008 4699,1009 8638,1010 15.433,1011 26.568,1012 40.177,1013 41.851,1014 41.322,1015 39.237,1016 39.038,1017 49.533,1018 6.334,1019 124.798,1020 36.697,1021 5.61,1022 5.856,1023 6.42,1024 5.425,1025 5.402,1026 7.401,1027 3.349,1028 20.373,1029 5.233,1030 15.377,1031 1.607,1032 1.674,1033 1.653,1034 1.569,1035 1.562,1036 1.981,1037 0.253,1038 4.992,1039 1.468,1040 4.099,1041 4.136,1042 4.115,1043 3.966,1044 7.434,1045 3.985,1046 3.77,1047 3.796,1048 3.849,1049 3.631,1050 7.426,1051 3.648,1052 3.667,1053 3.717,1054 3.591,1055 3.523,1056 4.98,1057 3.52,1058 3.389,1059 3.451,1060 3.386,1061 3.145,1062 4.822,1063 3.176,1064 3.123,1065 3.122,1066 3.192,1067 2.882,1068 4.538,1069 2.913,1070 2.985,1071 3.037,1072 3,1073 2.789,1074 4.219,1075 2.78,1076 2.874,1077 3.009,1078 2.774,1079 2.626,1080 4.004,1081 2.638,1082 2.874,1083 3.009,1084 2.499,1085 2.618,1086 3.728,1087 2.57,1088 0.189,1089 0.154,1090 0.285,1091 0.174,1092 0.136,1093 4.714,1094 0.176,1095 3.856,1096 0.067,1097 7.13,1098 0.495,1099 4.351,1100 0.129,1101 3.402,1102 4.401,1103 1.674,1104 12.373,1105 3.233,1106 1.951,1107 1.93,1108 2.005,1109 2.073,1110 1.163,1111 2.054,1112 1.703,1113 1.66,1114 1.946,1115 1.904,1116 1.118,1117 1.914,1118 1.516,1119 1.475,1120 1.677,1121 1.703,1122 0.773,1123 1.7,1124 1.307,1125 1.259,1126 1.417,1127 1.555,1128 0.495,1129 1.521,1130 1.175,1131 1.118,1132 1.417,1133 1.435,1134 0.469,1135 1.418,1136 0.96,1137 0.901,1138 1.409,1139 1.239,1140 0.469,1141 1.308,1142 0.934,1143 0.804,1144 1.37,1145 1.239,1146 0.353,1147 1.308,1148 0.934,1149 0.804,1150 1.181,1151 1.188,1152 0.23,1153 1.182,1154 3.932,1156 5.333,1157 2.398,1158 6.913,1159 4.727,1160 8.585,1161 6.88,1162 10.314,1164 6.923,1165 5.975,1171 5.365,1174 1.38,1175 -0.643,1179 25.724,1180 68.621,1181 143.601,1182 163.337,1183 168.092,1184 168.092,1185 168.092,1186 49.031,1187 7.198,1188 65.6,1189 65.6,1190 17,1191 12.734,1192 3.807,1193 3.087,1194 36.617,1195 68,1196 67,1197 0.279,1198 162.28,1199 282.58,1200 387.724,1201 10923,1202 2.6,1203 16.939,1204 0.736,1205 0.609,1206 17.439,1207 14.01,1208 10.687,1209 0.427,1210 0.298,1211 6.98,1212 9.871,1213 6.615,1214 5.538,1215 10.976,1216 7.453,1217 11.189,1218 0.287,1219 0.173,1220 11.597,1221 6.751,1222 8.366,1223 0.164,1224 0.071,1225 8.629,1226 3.641,1227 7.473,1228 0.102,1229 0.036,1230 7.692,1231 2.648,1232 5.961,1233 0.063,1234 0.019,1235 6.252,1236 1.773,1237 0.416,1238 70.83,1239 0.255,1240 21.815,1241 0.833,1242 128,1243 424.345,1244 159.924,1245 432.616,1246 577.39,1247 400,1248 154,1249 408.915,1250 180.891,1251 421.269,1252 622.4,1253 392,1254 9.187}
{0 CHEMBL458316,1 1.669,2 8.24,3 3.815,4 14.553,5 101.687,6 8.251,7 0.222,8 3.912,9 4.005,10 3.648,11 3.575,12 5.018,13 3.483,14 4.506,15 4.644,16 4.126,17 4.072,18 5.624,19 3.937,20 4.83,21 4.984,22 4.229,23 4.256,24 5.919,25 4.115,26 5.068,27 5.302,28 4.282,29 4.269,30 6.129,31 4.105,32 4.854,33 5.026,34 4.123,35 4.137,36 6.058,37 3.989,38 4.793,39 4.987,40 4.022,41 4.06,42 6.131,43 3.89,44 4.721,45 4.939,46 3.821,47 3.922,48 5.808,49 3.756,50 4.49,51 4.677,52 3.56,53 3.713,54 5.607,55 3.583,56 0.119,57 0.63,58 9.382,59 5.13,60 10.082,61 6.048,62 0.224,63 1.136,64 28.013,65 11.037,66 57.702,67 11.803,68 0.245,69 1.494,70 30.541,71 13.313,72 57.395,73 15.197,74 0.58,75 1.778,76 51.434,77 17.475,78 109.588,79 19.726,80 0.594,81 1.449,82 39.879,83 13.924,84 108.296,85 14.477,86 0.64,87 1.382,88 36.846,89 13.114,90 145.448,91 14.787,92 0.532,93 1.269,94 38.859,95 12.312,96 92.282,97 13.352,98 0.219,99 1.019,100 19.817,101 7.981,102 46.052,103 9.956,104 54,105 41,106 0.289,107 0.604,108 0.819,109 0.849,110 0.849,111 0.849,112 3.268,113 1.162,114 -4.62,115 -4.54,116 -4.27,118 39.1,119 2,120 2,121 2,122 1,123 1,126 1,127 1,135 4,136 1,137 1,147 1,148 1,157 2,159 10,161 1,162 5,166 17,169 12,173 10,176 13,180 12,183 1,184 5,187 11,190 3,191 6,195 13,198 8,202 10,204 7,208 5,210 1,211 8,215 3,216 868,217 16.093,218 16.093,219 16.093,220 16.093,221 16.093,222 14.868,223 14.436,224 9.005,225 16.539,226 13.227,227 13.227,228 13.227,229 13.227,230 13.227,231 11.291,232 12.296,233 4.153,234 13.81,235 3.854,236 2.032,237 0.788,238 0.614,239 0.614,240 0.614,241 3.937,244 1,245 1,246 1,247 430,248 3.674,251 51.856,252 140.775,254 97.109,258 1.29,259 39.823,261 1,262 1,263 1,264 1,265 1,266 1,267 1,268 1,269 1,270 54.5,271 206,272 4.489,273 5.042,274 7.083,275 4.409,276 3.426,277 4.025,278 4.84,279 12.254,280 3.381,281 4.318,282 4.122,283 6.646,284 4.049,285 3.066,286 3.587,287 2.612,288 10.702,289 3.02,290 4.089,291 3.78,292 6.334,293 3.835,294 2.857,295 3.397,296 2.308,297 9.463,298 2.793,299 3.895,300 3.769,301 5.932,302 3.575,303 2.59,304 2.987,305 2.178,306 8.194,307 2.542,308 3.449,309 3.371,310 5.491,311 3.113,312 2.113,313 2.654,314 0.995,315 6.711,316 2.103,317 3.137,318 3.078,319 5.05,320 2.753,321 1.892,322 2.245,324 5.621,325 1.633,326 2.901,327 2.723,328 4.695,329 2.567,330 1.564,331 1.928,333 4.435,334 1.506,335 2.635,336 2.284,337 3.919,338 2.202,339 1.23,340 1.61,342 3.049,343 1.182,344 2.555,345 2.251,346 3.567,347 2,348 1,349 1.546,350 2.324,351 1,352 2.036,353 1.595,354 3.433,355 1.618,356 0.638,357 0.818,358 1.681,359 0.598,360 1.495,361 1.419,362 3.247,363 1.256,364 0.439,365 0.45,366 0.728,367 0.347,368 1,369 1.148,370 3.092,371 0.753,372 -0.19,373 -0.199,374 -0.502,375 -0.175,376 1,377 1,378 2.652,379 0.606,380 -0.437,381 -0.503,382 -1.228,383 -0.451,384 0.817,385 0.921,386 2.438,387 0.341,388 -0.668,389 -0.947,390 -1.572,391 -0.666,392 0.761,393 0.36,394 2.157,395 0.167,396 -0.838,397 -1,398 -2,399 -0.827,400 12.4,401 0.496,402 0.941,403 0.038,404 26.75,405 1.07,406 12,407 0.48,408 14.75,409 0.59,410 29.863,411 1.195,412 27.8,413 0.604,414 17.476,415 0.699,416 3.688,417 0.148,418 8.043,419 0.322,420 0.228,421 0.04,422 0.355,424 0.343,425 0.933,426 0.711,427 0.851,428 0.472,429 0.927,430 0.441,431 1.033,432 1.029,433 1.101,434 0.403,435 0.964,436 0.75,437 1.226,438 1.001,439 1.171,440 0.726,441 1.23,442 0.875,443 0.894,444 0.931,445 0.956,446 0.894,447 0.835,448 1.314,449 1.021,450 1.291,451 1.144,452 1.34,453 1.073,454 0.729,455 1.094,456 1.141,457 1.154,458 0.695,459 1.105,460 1.108,461 0.984,462 1.252,463 1.12,464 1.095,465 0.977,466 0.92,467 1.371,468 0.896,469 1.14,470 0.92,471 1.362,472 7,473 0.025,474 3.556,475 3.104,476 2.193,477 1.389,478 0.661,479 0.375,480 0.351,481 0.267,482 5882,483 19023,484 1.96,485 45.7,486 8,487 8,488 1,491 3,492 1,494 1.687,495 1.754,496 3.043,497 -0.711,499 1,502 76.787,503 1.669,504 3.491,505 4.735,506 4.909,507 4.909,508 4.909,509 2.419,510 4.084,511 4.617,512 3.216,513 964.798,514 8.02,515 11300,517 1,519 1,520 254.084,521 1.757,522 4.518,523 0.259,524 0.002,525 0.087,526 0.072,527 0.051,528 0.038,529 0.02,530 0.013,531 0.016,532 0.017,533 0.575,534 0.17,535 1,536 0.991,537 117.648,538 0.181,539 0.171,540 0.073,541 0.127,542 0.018,543 0.057,544 0.123,545 0.046,546 0.053,547 0.052,548 0.152,549 0.08,550 -0.043,551 -0.206,552 -0.099,553 -0.176,554 -0.02,555 -0.238,556 0.015,557 0.058,558 0.148,559 0.082,560 -0.003,561 0.185,562 -0.169,563 -0.016,564 -0.166,565 -0.056,566 -0.15,567 -0.091,568 0.185,569 -0.105,570 -0.066,571 -0.096,572 0.225,573 -0.101,574 -0.123,575 0.004,576 -0.11,577 -0.041,578 -0.118,579 0.03,580 -0.092,581 -0.4,582 -0.2,583 -0.343,584 -0.138,585 -0.432,586 2.487,587 6.092,588 0.6,589 18.589,590 1.009,591 1.116,592 3.393,593 11.513,594 0.69,595 3.332,596 3.738,597 4.007,598 4.331,599 4.575,600 4.727,601 4.771,602 4.804,603 4.844,604 4.82,605 5.309,606 0.642,607 379.54,608 3.332,609 4.92,610 5.79,611 6.718,612 7.613,613 8.546,614 9.451,615 10.386,616 11.298,617 12.233,618 2.2,627 1,632 4,637 2,639 6,641 1,645 1,650 46,652 10,653 1,654 27,656 48,657 18,658 6,659 2,660 4,661 1,663 3,664 4,667 2,668 1,669 1,670 3,671 2,672 3,674 8,675 10,676 2,677 4,678 1,680 4,683 2,685 1,687 21,688 4,690 7,691 2,694 1,696 0.667,697 4,708 1,709 2,711 1,718 1,728 2,729 2,730 2,732 3,735 25,739 2,742 2,743 4,745 1,751 1,755 8.7,758 2,761 2,762 14.25,763 9.117,764 5.361,765 2.693,766 1.339,767 1.186,768 0.9,769 5.117,770 8.519,771 3.555,772 4.103,773 4.525,774 4.988,775 5.406,776 5.616,777 5.816,778 5.835,779 6,780 6.245,781 1,782 43,783 9.405,784 4.25,785 8.057,786 17.736,787 15.556,788 2.557,789 63.917,792 1,793 247.193,794 148.463,795 5.67,797 101.037,799 64.439,800 84.024,801 348.23,802 5.67,803 30.511,804 5.069,805 37.905,806 60.557,807 5.942,808 11.771,809 299.861,810 50.747,811 247.193,812 89.694,813 101.037,814 64.439,816 235.422,817 62.061,818 50.747,819 22.719,820 61.305,821 5.67,822 64.439,823 247.193,824 106.707,825 148.463,827 247.193,828 85.717,829 68.416,831 101.037,832 247.193,833 106.707,834 148.463,835 0.603,836 0.352,837 0.193,838 0.111,839 21,840 11,841 0.083,842 4,843 1,844 1.133,845 3.415,846 216.824,847 0.133,848 15,849 112.096,850 2,852 18.63,853 6.866,854 3.554,856 101.037,857 5.914,862 0.287,865 502.363,866 34,867 -0.487,869 47.759,872 0.16,873 46.4,874 51.328,876 0.302,877 0.632,878 0.857,879 0.889,880 0.889,881 0.889,882 4.864,883 1.23,884 5.861,885 4.435,886 4.419,887 4.787,888 4.371,889 6.779,890 4.361,891 6.092,892 1,893 7.498,894 3.049,895 4.369,896 4.82,897 2.848,898 8.023,899 4.322,900 7.434,901 0.638,902 9.238,903 2.324,904 6.172,905 6.874,906 7.129,907 11.075,908 6.086,909 8.801,910 0.439,911 11.033,912 1.681,913 6.858,914 7.624,915 4.882,916 13.053,917 6.777,918 10.195,919 -0.19,920 12.862,921 0.728,922 8.239,923 9.26,924 10.186,925 15.704,926 8.134,927 11.605,928 -0.437,929 14.713,930 -0.502,931 9.22,932 10.311,933 6.824,934 17.97,935 9.111,936 13.029,937 -0.668,938 16.58,939 -1.228,940 10.465,941 11.797,942 13.317,943 20.497,944 10.339,945 3.426,946 -0.838,947 18.459,948 -1.572,949 11.57,950 12.99,951 8.736,952 22.885,953 11.434,954 3.066,955 12.254,956 20.347,957 -2,958 12.774,959 14.416,960 16.465,961 25.375,962 12.625,963 2.857,964 10.702,965 22.242,966 4.025,967 13.932,968 15.683,969 10.64,970 27.816,971 13.772,972 2.59,973 9.463,974 24.144,975 3.587,976 15.129,977 17.082,978 19.618,979 30.299,980 14.956,981 2.113,982 8.194,983 26.051,984 3.397,985 16.313,986 18.393,987 12.544,988 32.765,989 16.127,990 1.892,991 6.711,992 27.963,993 2.987,994 17.513,995 19.779,996 22.771,997 35.25,998 17.315,999 1.564,1000 5.621,1001 29.879,1002 2.654,1003 18.71,1004 21.117,1005 14.45,1006 37.73,1007 18.5,1008 5938,1009 10805,1010 16.819,1011 31.733,1012 42.293,1013 49.115,1014 44.09,1015 41.488,1016 41.63,1017 50.493,1018 25.868,1019 130.323,1020 40.208,1021 5.489,1022 7.042,1023 6.627,1024 5.549,1025 5.426,1026 7.025,1027 9.681,1028 19.851,1029 5.381,1030 16.371,1031 1.566,1032 1.819,1033 1.633,1034 1.537,1035 1.542,1036 1.87,1037 0.958,1038 4.827,1039 1.489,1040 4.048,1041 4.07,1042 4.188,1043 3.989,1044 7.815,1045 3.963,1046 3.94,1047 3.968,1048 3.942,1049 3.838,1050 7.428,1051 3.835,1052 3.612,1053 3.642,1054 3.7,1055 3.551,1056 7.423,1057 3.486,1058 3.49,1059 3.514,1060 3.575,1061 3.258,1062 6.999,1063 3.247,1064 3.291,1065 3.321,1066 3.398,1067 3.084,1068 4.664,1069 3.077,1070 3.206,1071 3.265,1072 3.177,1073 3.014,1074 4.34,1075 3.023,1076 3.026,1077 3.068,1078 2.979,1079 2.847,1080 4.069,1081 2.85,1082 2.874,1083 3.009,1084 2.811,1085 2.673,1086 3.799,1087 2.586,1088 0.166,1089 0.187,1090 0.262,1091 0.163,1092 0.127,1093 4.489,1094 0.149,1095 5.042,1096 0.179,1097 7.083,1098 0.454,1099 4.409,1100 0.125,1101 3.426,1102 4.025,1103 4.84,1104 12.254,1105 3.381,1106 1.952,1107 1.929,1108 2.094,1109 2.092,1110 1.494,1111 2.075,1112 1.896,1113 1.865,1114 2.012,1115 2.032,1116 1.129,1117 2.032,1118 1.482,1119 1.471,1120 1.698,1121 1.717,1122 1.042,1123 1.672,1124 1.466,1125 1.429,1126 1.55,1127 1.612,1128 0.943,1129 1.639,1130 1.204,1131 1.163,1132 1.473,1133 1.506,1134 0.627,1135 1.514,1136 1.16,1137 1.11,1138 1.417,1139 1.399,1140 0.52,1141 1.441,1142 0.998,1143 0.946,1144 1.296,1145 1.239,1146 0.469,1147 1.308,1148 0.934,1149 0.812,1150 1.246,1151 1.224,1152 0.407,1153 1.243,1154 4.007,1156 5.389,1157 2.398,1158 6.957,1159 4.844,1160 8.614,1161 7.066,1162 10.32,1164 6.127,1169 1.391,1172 3.189,1173 -0.319,1175 -0.104,1179 29.523,1180 76.787,1181 160.597,1182 217.819,1183 225.819,1184 225.819,1185 225.819,1186 78.511,1187 7.181,1188 79.96,1189 130.56,1190 17,1191 12.736,1192 3.459,1193 3,1194 41.47,1195 78,1196 78,1197 0.266,1198 188.729,1199 339.32,1200 452.259,1201 10884,1203 18.353,1204 0.734,1205 0.643,1206 19.06,1207 16.063,1208 11.731,1209 0.434,1210 0.387,1211 8.354,1212 10.508,1213 7.801,1214 6.454,1215 12.697,1216 10.461,1217 11.649,1218 0.284,1219 0.246,1220 12.803,1221 10.099,1222 9.125,1223 0.169,1224 0.151,1225 10.626,1226 8.156,1227 7.963,1228 0.106,1229 0.094,1230 9.523,1231 7.029,1232 6.3,1233 0.066,1234 0.06,1235 7.896,1236 5.773,1237 0.4,1238 83.1,1239 0.244,1240 23.533,1241 0.782,1242 136,1243 420.308,1244 196.528,1245 439.92,1246 566.34,1247 404,1248 163,1249 365.066,1250 213.779,1251 388.132,1252 567.48,1253 359,1254 5}
{0 CHEMBL458317,1 2.027,2 10.625,3 4.763,4 22.69,5 101.844,6 11.054,7 0.654,8 3.714,9 3.772,10 3.837,11 3.483,12 4.861,13 3.385,14 4.193,15 4.28,16 4.203,17 3.841,18 5.647,19 3.722,20 4.327,21 4.44,22 4.206,23 3.865,24 5.621,25 3.741,26 4.321,27 4.452,28 4.028,29 3.798,30 5.66,31 3.672,32 4.259,33 4.384,34 4.041,35 3.759,36 5.568,37 3.61,38 4.2,39 4.33,40 3.974,41 3.695,42 5.551,43 3.535,44 4.098,45 4.232,46 3.849,47 3.54,48 5.495,49 3.395,50 3.954,51 4.127,52 3.726,53 3.319,54 5.28,55 3.198,56 0.111,57 0.533,58 3.841,59 3.399,60 14.38,61 2.958,62 0.355,63 0.89,64 14.876,65 6.693,66 44.343,67 5.619,68 0.352,69 0.981,70 17.38,71 7.646,72 32.963,73 6.243,74 0.401,75 0.991,76 20.439,77 7.89,78 38.004,79 5.885,80 0.392,81 0.89,82 19.224,83 8.009,84 49.024,85 6.348,86 0.401,87 0.829,88 19.636,89 7.396,90 50.263,91 6.44,92 0.399,93 0.753,94 22.465,95 7.511,96 48.107,97 5.93,98 0.328,99 0.639,100 13.834,101 5.256,102 34.189,103 5.159,104 18,105 37,106 0.362,107 0.663,108 0.772,109 0.85,110 0.85,111 0.85,112 3.228,113 1.227,114 -3.81,115 -3.78,116 -3.59,118 41.7,123 1,135 7,137 2,138 1,139 1,142 1,144 1,145 1,159 3,161 2,162 4,164 2,165 2,166 6,169 6,172 4,173 6,176 7,179 1,180 2,184 6,186 1,187 6,190 2,191 3,193 1,194 1,195 7,198 2,202 2,203 2,204 4,206 1,207 1,208 4,211 2,215 3,216 816,217 15.927,218 15.927,219 15.927,220 15.927,221 15.927,222 13.634,223 9.968,224 9.249,225 16.83,226 12.77,227 12.77,228 12.77,229 12.77,230 12.77,231 9.25,232 5.811,233 4.335,234 14.222,235 3.143,236 1.456,237 0.845,238 0.41,239 0.41,240 0.41,241 3.904,243 1,245 1,246 1,247 541,248 3.317,251 69.359,252 170.411,258 1.74,259 30.399,262 1,263 1,264 1,265 0.4,267 1,268 1,269 0.77,270 51.833,271 255,272 4.867,273 4.688,274 7.314,275 4.304,276 3.407,277 4.722,278 2.95,279 12.54,280 3.045,281 4.258,282 4.328,283 6.178,284 3.808,285 2.877,286 3.905,288 9.217,289 2.673,290 3.985,291 2.945,292 5.45,293 3.508,294 2.569,295 3.594,297 7.16,298 2.399,299 3.768,300 2.845,301 5.294,302 3.23,303 2.368,304 3.281,306 6.757,307 2.03,308 3.383,309 2.494,310 4.968,311 2.929,312 2.042,313 2.671,315 5.744,316 1.732,317 3.214,318 2.43,319 4.723,320 2.677,321 1.754,322 2.48,324 5.043,325 1.588,326 2.735,327 1.852,328 4.139,329 2.208,330 1.275,331 1.832,333 3.201,334 1.177,335 2.5,336 1.389,337 3.483,338 2,339 1,340 1.5,342 2.453,343 1,344 2.435,345 1.065,346 3.414,347 1.857,348 0.939,349 1.388,350 2.275,351 0.849,352 2.161,353 1,354 3.285,355 1.535,356 0.665,357 0.992,358 1.638,359 0.562,360 1.583,361 0.693,362 3.125,363 1.202,364 0.427,365 0.48,366 0.621,367 0.326,368 1.424,369 0.598,370 2.703,371 1.025,372 0.138,373 0.168,374 0.33,375 0.108,376 1,377 0.471,378 2.596,379 0.282,380 -0.62,381 -0.755,382 -1.399,383 -0.452,384 0.762,385 -0.018,386 2.297,387 0.239,388 -0.642,389 -0.85,390 -1.709,391 -0.567,392 0.672,393 -0.305,394 2,395 0.062,396 -0.82,397 -1.068,398 -2.199,399 -0.71,400 12.581,401 0.524,402 0.697,403 0.029,404 35,405 1.458,406 20,407 0.833,408 15,409 0.625,410 17.846,411 0.744,412 24.619,413 0.684,414 23.364,415 0.973,416 6.266,417 0.261,418 5.21,419 0.217,420 0.15,421 0.066,422 0.238,424 0.519,425 1.116,426 0.704,427 0.943,428 0.68,429 0.755,430 0.567,431 1.093,432 0.872,433 0.981,434 0.551,435 0.862,436 1.121,437 1.212,438 1.086,439 1.138,440 1.061,441 1.01,442 1.479,443 0.986,444 1.248,445 1.083,446 1.313,447 0.988,448 1.255,449 0.977,450 0.912,451 1.009,452 1.527,453 0.991,454 1.086,455 0.92,456 0.993,457 1.011,458 1.313,459 1.026,460 0.959,461 1.108,462 1.129,463 1.25,464 1.056,465 1.138,466 0.687,467 0.956,468 0.526,469 0.811,470 0.946,471 0.941,472 6.5,473 0.082,474 3.111,475 1.403,476 1.709,477 0.747,478 0.511,479 0.416,480 0.194,481 0.085,482 6363,483 24798,484 2.03,485 33.3,487 10,489 1,490 1,494 1.667,495 1.882,496 3.381,497 -0.177,502 72.985,503 2.027,504 3.714,505 4.325,506 4.76,507 4.76,508 4.76,509 2.872,510 4.252,511 4.554,512 3.511,513 968.947,514 7.851,515 11400.3,517 1,520 186.117,521 1.601,522 4.498,523 0.25,524 0.007,525 0.084,526 0.04,527 0.053,528 0.026,529 0.019,530 0.018,531 0.01,532 0.005,533 0.513,534 0.33,535 1,536 0.813,537 114.592,538 0.067,539 -0.097,540 0.083,541 -0.048,542 -0.177,543 0.033,544 0.281,545 -0.046,546 0.017,547 -0.014,548 0.284,549 -0.016,550 -0.139,551 -0.194,552 -0.089,553 -0.14,554 -0.086,555 -0.099,556 -0.369,557 0.086,558 -0.267,559 -0.064,560 -0.141,561 -0.076,562 -0.154,563 -0.02,564 0.001,565 0.025,566 -0.174,567 -0.025,569 0.05,570 -0.03,571 0.021,572 -0.059,573 -0.053,574 0.117,575 -0.149,576 -0.076,577 -0.196,578 0.11,579 -0.134,580 0.325,581 -0.031,582 0.313,583 0.058,584 0.097,585 0.059,586 4.569,587 5.484,588 0.708,589 21.167,590 1.026,591 1.103,592 2.585,593 6.682,594 0.793,595 3.296,596 3.638,597 3.85,598 4.06,599 4.248,600 4.277,601 4.331,602 4.382,603 4.382,604 4.394,605 6.113,606 0.737,607 397.96,608 3.296,609 4.844,610 5.68,611 6.561,612 7.418,613 8.301,614 9.166,615 10.051,616 10.922,617 11.809,618 8.3,621 1,626 2,632 8,633 2,636 1,637 6,639 17,649 1,650 36,652 19,653 1,654 26,656 38,657 15,658 14,659 2,660 4,663 3,664 3,665 1,674 14,675 1,677 2,679 1,680 2,687 12,688 5,689 1,690 9,691 4,694 3,696 1,697 2,703 1,708 1,709 2,728 3,729 1,730 3,732 1,733 1,735 24,737 1,740 1,742 1,750 1,754 1,755 5.6,758 2,762 12.75,763 6.793,764 5.236,765 1.836,766 3.003,767 1.435,768 1.007,769 5.327,770 9.906,771 3.624,772 4.28,773 4.791,774 5.34,775 5.811,776 6.048,777 6.342,778 6.679,779 6.941,780 7.222,781 1,782 35,783 9.064,784 4.082,785 7.966,786 16.569,787 13.553,788 2.466,789 59.194,793 129.482,794 162.942,795 49.976,796 39.149,797 44.313,799 69.305,800 93.637,801 212.944,802 49.976,803 7.19,805 72.141,806 106.06,807 18.062,808 2.051,809 181.208,810 39.149,811 129.482,812 143.613,813 44.313,814 108.453,816 129.482,817 44.313,819 12.497,820 81.14,821 94.932,822 63.497,823 129.482,824 94.289,825 202.09,826 5.807,827 129.482,828 74.563,829 82.572,830 16.405,831 117.033,832 129.482,833 94.289,834 202.09,835 0.588,836 0.335,837 0.167,838 0.093,839 18,840 8,841 0.132,842 5,844 1,845 3.598,846 190.736,848 17,849 104.039,850 2,851 1,852 17.522,853 7.296,854 4.225,856 94.289,857 13.219,858 8.5,861 1.158,862 3.337,864 16.405,865 425.862,866 36.5,868 -3.652,869 24.967,873 36.931,874 39.694,876 0.392,877 0.718,878 0.837,879 0.921,880 0.921,881 0.921,882 4.854,883 1,884 5.707,885 3.201,886 4.317,887 4.966,888 2.913,889 6.547,890 4.119,891 6.11,892 0.939,893 7.295,894 2.453,895 4.111,896 5.037,898 7.758,899 3.769,900 7.466,901 0.665,902 8.997,903 2.275,904 5.999,905 7.299,906 5.027,907 10.76,908 5.613,909 8.865,910 0.427,911 10.77,912 1.638,913 6.594,914 8.179,916 12.814,917 6.052,918 10.299,919 0.138,920 12.594,921 0.621,922 8.013,923 9.962,924 7.185,925 15.449,926 7.428,927 11.759,928 -0.62,929 14.453,930 0.33,931 8.951,932 11.194,934 17.807,935 8.213,936 13.239,937 -0.642,938 16.34,939 -1.399,940 10.214,941 12.811,942 9.348,943 20.354,944 9.412,945 3.407,946 -0.82,947 18.248,948 -1.709,949 11.303,950 14.206,952 22.819,953 10.359,954 2.877,955 12.54,956 20.172,957 -2.199,958 12.518,959 15.765,960 11.511,961 25.347,962 11.489,963 2.569,964 9.217,965 22.11,966 4.722,967 13.675,968 17.237,970 27.851,971 12.513,972 2.368,973 7.16,974 24.058,975 3.905,976 14.881,977 18.779,978 13.675,979 30.376,980 13.617,981 2.042,982 6.757,983 26.015,984 3.594,985 16.068,986 20.288,988 32.894,989 14.679,990 1.754,991 5.744,992 27.978,993 3.281,994 17.276,995 21.828,996 15.838,997 35.42,998 15.777,999 1.275,1000 5.043,1001 29.946,1002 2.671,1003 18.479,1004 23.356,1006 37.944,1007 16.859,1008 6234,1009 12474,1010 16.989,1011 28.534,1012 38.932,1013 42.786,1014 40.128,1015 38.966,1016 38.922,1017 54.026,1018 5.9,1019 113.961,1020 34.978,1021 5.698,1022 6.688,1023 6.904,1024 5.48,1025 5.407,1026 7.722,1027 5.9,1028 19.986,1029 5.045,1030 12.31,1031 1.497,1032 1.646,1033 1.543,1034 1.499,1035 1.497,1036 2.078,1037 0.227,1038 4.383,1039 1.345,1040 4.092,1041 4.068,1042 4.787,1043 4.131,1044 7.717,1045 4.013,1046 3.883,1047 3.91,1048 4.1,1049 3.834,1050 6.999,1051 3.817,1052 3.779,1053 3.784,1054 3.977,1055 3.701,1056 4.984,1057 3.657,1058 3.471,1059 3.463,1060 3.887,1061 3.434,1062 4.941,1063 3.337,1064 3.197,1065 3.267,1066 3.399,1067 3.161,1068 4.542,1069 3.047,1070 2.878,1071 2.925,1072 3.302,1073 2.788,1074 4.357,1075 2.765,1076 2.854,1077 2.895,1078 2.687,1079 2.735,1080 3.936,1081 2.715,1082 2.657,1083 2.738,1084 2.682,1085 2.482,1086 3.857,1087 2.474,1088 0.187,1089 0.18,1090 0.281,1091 0.166,1092 0.131,1093 4.867,1094 0.182,1095 4.688,1096 0.113,1097 7.314,1098 0.482,1099 4.304,1100 0.117,1101 3.407,1102 4.722,1103 2.95,1104 12.54,1105 3.045,1106 1.905,1107 1.901,1108 1.965,1109 1.99,1110 1.092,1111 2.017,1112 1.784,1113 1.758,1114 1.834,1115 1.916,1116 0.919,1117 1.908,1118 1.677,1119 1.717,1120 1.584,1121 1.733,1122 0.893,1123 1.797,1124 1.345,1125 1.322,1126 1.517,1127 1.454,1128 0.677,1129 1.517,1130 1.201,1131 1.142,1132 1.192,1133 1.388,1134 0.493,1135 1.44,1136 0.969,1137 0.964,1138 1.181,1139 1.062,1140 0.218,1141 1.11,1142 0.886,1143 0.821,1144 0.986,1145 1.061,1146 0.193,1147 1.107,1148 0.717,1149 0.727,1150 0.742,1151 0.875,1153 0.897,1154 3.97,1156 5.303,1157 2.398,1158 6.821,1159 4.595,1160 8.416,1161 6.629,1162 10.051,1164 1.888,1165 5.807,1170 2.536,1172 1.434,1179 26.517,1180 72.985,1181 133.711,1182 155.711,1183 171.362,1184 171.362,1185 171.362,1186 46.765,1187 6.903,1188 71.95,1189 133.87,1190 17,1191 12.343,1192 4.322,1193 3.524,1194 39.369,1195 87,1196 90,1197 0.222,1198 179.157,1199 298.48,1200 428.904,1201 8543,1202 2.8,1203 17.156,1204 0.715,1205 0.652,1206 18.614,1207 15.638,1208 11.475,1209 0.441,1210 0.409,1211 6.999,1212 9.261,1213 6.451,1214 5.359,1215 13.551,1216 10.637,1217 10.79,1218 0.292,1219 0.24,1220 13.669,1221 8.863,1222 8.596,1223 0.187,1224 0.148,1225 11.558,1226 6.806,1227 6.73,1228 0.118,1229 0.083,1230 9.252,1231 4.718,1232 5.306,1233 0.077,1234 0.05,1235 7.731,1236 3.478,1237 0.349,1238 92.142,1239 0.243,1240 23.535,1241 0.609,1242 126,1243 423.879,1244 239.515,1245 504.403,1246 668.16,1247 464,1248 146,1249 406.705,1250 250.733,1251 486.856,1252 708.39,1253 453,1254 5}
{0 CHEMBL458319,1 1.782,2 8.957,3 2.553,4 6.519,5 82.936,6 8.967,7 0.423,8 3.762,9 3.855,10 3.49,11 3.31,12 4.91,13 3.321,14 4.292,15 4.442,16 3.867,17 3.678,18 5.474,19 3.672,20 4.46,21 4.616,22 3.989,23 3.776,24 5.701,25 3.771,26 4.53,27 4.686,28 3.982,29 3.753,30 5.85,31 3.765,32 4.424,33 4.563,34 3.926,35 3.643,36 5.849,37 3.653,38 4.359,39 4.536,40 3.647,41 3.48,42 5.764,43 3.446,44 4.112,45 4.295,46 3.412,47 3.338,48 5.25,49 3.263,50 4.049,51 4.278,52 3.04,53 3.197,54 5.022,55 3.097,56 0.099,57 0.554,58 5.188,59 3.165,60 8.74,61 3.558,62 0.432,63 0.886,64 12.607,65 5.293,66 29.983,67 6.192,68 0.427,69 0.984,70 17.993,71 6.751,72 38.149,73 8.014,74 0.747,75 1.007,76 19.503,77 6.409,78 57.638,79 6.872,80 0.542,81 0.903,82 15.842,83 5.81,84 56.567,85 6.194,86 0.738,87 0.778,88 17.711,89 5.659,90 97.918,91 5.931,92 0.369,93 0.628,94 17.174,95 4.882,96 33.479,97 5.704,98 0.378,99 0.592,100 13.442,101 4.578,102 39.569,103 5.531,104 17,105 39,106 0.32,107 0.693,108 0.831,109 0.854,110 0.854,111 0.854,112 3.19,113 0.896,114 -4.06,115 -4.01,116 -3.79,118 43.2,120 2,121 1,123 1,124 1,135 3,136 1,137 2,139 1,145 1,149 2,151 1,159 5,161 4,162 5,166 4,168 3,169 6,173 4,175 5,176 5,183 1,184 10,190 2,191 8,198 9,204 1,208 2,211 4,215 6,216 678,217 15.43,218 15.43,219 15.43,220 15.43,221 15.43,222 13.96,223 18.36,224 8.695,225 15.888,226 12.773,227 12.773,228 12.773,229 12.773,230 12.773,231 10.318,232 19.439,233 4.098,234 13.527,235 3.427,236 1.351,237 0.581,238 0.453,239 0.453,240 0.453,241 3.871,243 1,244 1,245 1,246 1,247 456,248 3.082,249 38.176,251 38.266,252 91.451,254 67.85,255 77.204,258 1.44,259 31.302,261 1,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 50.833,271 206,272 4.712,273 3.834,274 7.128,275 4.347,276 3.396,277 4.4,278 1.674,279 12.365,280 3.231,281 4.222,282 3.641,283 6.43,284 3.831,285 2.854,286 3.826,287 1.2,288 9.818,289 2.777,290 3.727,291 3.031,292 5.928,293 3.643,294 2.654,295 3.029,296 0.293,297 7.916,298 2.626,299 3.697,300 2.926,301 5.644,302 3.368,303 2.419,304 2.944,306 7.453,307 2.288,308 3.604,309 2.69,310 5.478,311 3.229,312 2.299,313 2.666,315 7.046,316 2.113,317 3.321,318 2.509,319 4.965,320 2.9,321 1.992,322 2.508,324 5.715,325 1.719,326 2.762,327 1.768,328 4.303,329 2.31,330 1.373,331 1.846,333 3.639,334 1.28,335 2.482,336 1.593,337 4.086,338 2.011,339 1.089,340 1.451,342 2.96,343 0.987,344 2.459,345 1.489,346 3.857,347 1.913,348 0.938,349 1.373,350 2.475,351 0.905,352 1.865,353 1.156,354 3.232,355 1.587,356 0.614,357 0.721,358 1.46,359 0.584,360 1.775,361 0.812,362 3.178,363 1.337,364 0.345,365 0.455,366 0.82,367 0.337,368 1.195,369 0.39,370 2.759,371 0.745,372 -0.13,373 -0.16,374 -0.322,375 -0.095,376 0.771,377 0.198,378 2.364,379 0.586,380 -0.388,381 -0.425,382 -0.877,383 -0.368,384 0.689,385 -0.272,386 2.259,387 0.21,388 -0.764,389 -0.964,390 -2.086,391 -0.631,392 0.434,393 -0.446,394 2,395 0.071,396 -0.872,397 -1,398 -2.383,399 -0.841,400 10.914,401 0.475,402 0.699,403 0.03,404 29.75,405 1.293,406 13.5,407 0.587,408 16.25,409 0.707,410 17.742,411 0.771,412 24.486,413 0.662,414 21.582,415 0.938,416 5.633,417 0.245,418 5.425,419 0.236,420 0.172,422 0.44,424 0.685,425 1.478,426 0.537,427 1.038,428 0.507,429 0.887,430 0.738,431 0.984,432 0.646,433 0.782,434 0.52,435 0.789,436 0.86,437 1.202,438 0.816,439 1.044,440 0.745,441 0.901,442 1.352,443 0.879,444 0.879,445 0.721,446 1.49,447 0.764,448 1.159,449 1.253,450 0.871,451 1.233,452 1.385,453 1.135,454 1.539,455 0.868,456 1.045,457 0.748,458 1.611,459 0.914,460 1.147,461 1.094,462 1.587,463 1.304,464 0.886,465 1.243,466 1.142,467 0.686,468 0.894,469 0.778,470 1.098,471 0.973,472 4.5,473 0.019,474 3.389,475 1.938,476 2.17,477 1.063,478 0.47,479 0.227,480 0.19,481 0.102,482 5452,483 16685,484 2.115,485 37.8,486 4,487 8,489 1,492 1,494 1.661,495 1.944,496 3.108,497 -0.686,498 1,499 1,501 1,502 65.937,503 1.782,504 3.859,505 4.628,506 4.757,507 4.757,508 4.757,509 2.666,510 4.263,511 4.488,512 3.247,513 821.525,514 7.754,515 8870.63,516 1,517 1,519 1,520 192.75,521 1.491,522 4.44,523 0.173,524 0.003,525 0.094,526 0.048,527 0.056,528 0.032,529 0.02,530 0.012,531 0.014,532 0.009,533 0.461,534 0.33,535 1,536 0.636,537 105.243,538 -0.049,539 -0.328,540 0.033,541 -0.126,542 -0.014,543 -0.037,544 0.099,545 0.124,546 0.076,547 0.123,548 0.091,549 0.096,550 0.046,551 -0.178,552 0.07,553 -0.093,554 0.065,555 0.033,556 -0.106,557 0.157,558 -0.036,559 0.182,560 -0.177,561 0.104,562 -0.019,563 -0.218,564 -0.044,565 -0.325,566 -0.042,567 -0.27,568 -0.182,569 0.081,570 -0.093,571 0.188,572 -0.055,573 0.002,574 -0.183,575 -0.125,576 -0.308,577 -0.291,578 -0.086,579 -0.26,580 -0.217,581 0.251,582 -0.068,583 0.176,584 -0.145,585 0.05,586 2.164,587 5.554,588 0.696,589 18.28,590 1.025,591 1.123,592 2.827,593 7.994,594 0.697,595 3.296,596 3.689,597 3.989,598 4.304,599 4.585,600 4.745,601 4.86,602 5.017,603 5.063,604 4.956,605 5.189,606 0.681,607 331.78,608 3.296,609 4.875,610 5.771,611 6.691,612 7.607,613 8.532,614 9.457,615 10.386,616 11.314,617 12.246,618 8.1,623 1,624 1,626 1,632 4,633 1,637 5,638 1,639 11,642 1,643 1,649 1,650 37,652 13,653 1,654 26,656 40,657 16,658 9,659 3,660 3,661 2,663 4,664 7,665 1,670 2,671 1,672 2,674 11,675 5,676 1,677 2,680 2,683 2,684 1,685 1,687 14,688 5,690 7,691 1,692 1,694 3,696 0.5,697 3,706 1,708 1,709 2,711 1,712 1,728 2,732 1,733 1,735 23,739 3,741 1,743 1,744 1,754 1,755 8.1,758 2,760 1,762 11.833,763 7.16,764 4.889,765 2.272,766 2.388,767 1.326,768 1.003,769 3.431,770 9.724,771 3.541,772 4.155,773 4.759,774 5.365,775 5.887,776 6.282,777 6.66,778 7.037,779 7.356,780 7.48,781 1,782 40,783 8.553,784 3.845,785 7.94,786 16.048,787 13.743,788 2.44,789 56.111,793 164.795,794 81.529,795 21.809,796 39.149,797 61.29,800 81.529,801 265.234,802 21.809,803 8.396,804 12.786,805 28.429,806 99.361,807 27.427,809 153.024,810 39.149,811 164.795,812 103.338,813 61.29,814 39.149,816 153.024,817 73.061,819 28.388,820 58.164,821 55.934,823 164.795,824 83.099,825 120.677,827 164.795,828 36.085,829 50.467,831 117.224,832 164.795,833 83.099,834 120.677,835 0.602,836 0.348,837 0.188,838 0.108,839 22,840 10,841 0.1,842 4,843 2,844 1.25,845 3.484,846 198.363,847 0.25,848 16,849 102.042,852 14.729,853 5.357,854 2.539,856 81.2,857 6.587,858 4.164,862 2.19,863 1.709,865 368.571,866 33.5,869 24.826,872 -0.727,873 37.913,874 41.558,876 0.342,877 0.741,878 0.888,879 0.913,880 0.913,881 0.913,882 4.826,883 1.089,884 5.796,885 3.639,886 4.369,887 4.84,888 2.25,889 6.693,890 4.265,891 6.064,892 0.938,893 7.416,894 2.96,895 4.205,896 4.82,897 0.325,898 7.801,899 4.061,900 7.403,901 0.614,902 9.137,903 2.475,904 6.066,905 7.044,906 3.008,907 10.931,908 5.879,909 8.775,910 0.345,911 10.914,912 1.46,913 6.661,914 7.82,915 0.653,916 12.835,917 6.441,918 10.179,919 -0.13,920 12.728,921 0.82,922 8.065,923 9.572,924 3.907,925 15.544,926 7.801,927 11.606,928 -0.388,929 14.567,930 -0.322,931 8.988,932 10.711,933 1.001,934 17.788,935 8.686,936 13.051,937 -0.764,938 16.425,939 -0.877,940 10.24,941 12.288,942 4.874,943 20.36,944 9.892,945 3.396,946 -0.872,947 18.299,948 -2.086,949 11.315,950 13.599,951 1.37,952 22.754,953 10.92,954 2.854,955 12.365,956 20.185,957 -2.383,958 12.521,959 15.107,960 5.875,961 25.282,962 12.077,963 2.654,964 9.818,965 22.081,966 4.4,967 13.666,968 16.501,969 1.754,970 27.741,971 13.171,972 2.419,973 7.916,974 23.987,975 3.826,976 14.864,977 17.983,978 6.892,979 30.255,980 14.318,981 2.299,982 7.453,983 25.9,984 3.029,985 16.044,986 19.416,987 2.143,988 32.743,989 15.444,990 1.992,991 7.046,992 27.82,993 2.944,994 17.245,995 20.89,996 7.916,997 35.253,998 16.592,999 1.373,1000 5.715,1001 29.746,1002 2.666,1003 18.442,1004 22.343,1005 2.535,1006 37.755,1007 17.735,1008 5163,1009 9170,1010 17.224,1011 25.807,1012 40.901,1013 42.745,1014 42.455,1015 40.137,1016 39.947,1017 50.438,1018 6.334,1019 123.334,1020 37.694,1021 5.675,1022 5.834,1023 6.502,1024 5.439,1025 5.396,1026 7.4,1027 3.349,1028 20.365,1029 5.231,1030 11.42,1031 1.573,1032 1.644,1033 1.633,1034 1.544,1035 1.536,1036 1.94,1037 0.244,1038 4.744,1039 1.45,1040 4.1,1041 4.137,1042 4.115,1043 3.967,1044 7.434,1045 3.986,1046 3.901,1047 3.949,1048 3.853,1049 3.794,1050 7.426,1051 3.782,1052 3.727,1053 3.753,1054 3.76,1055 3.604,1056 4.98,1057 3.622,1058 3.399,1059 3.455,1060 3.428,1061 3.151,1062 4.821,1063 3.185,1064 3.242,1065 3.254,1066 3.218,1067 2.948,1068 4.471,1069 2.996,1070 2.987,1071 3.04,1072 3.097,1073 2.798,1074 4.22,1075 2.787,1076 2.848,1077 2.903,1078 2.776,1079 2.708,1080 4.045,1081 2.697,1082 2.73,1083 2.782,1084 2.577,1085 2.5,1086 4.004,1087 2.501,1088 0.181,1089 0.147,1090 0.274,1091 0.167,1092 0.131,1093 4.712,1094 0.169,1095 3.834,1096 0.064,1097 7.128,1098 0.476,1099 4.347,1100 0.124,1101 3.396,1102 4.4,1103 1.674,1104 12.365,1105 3.231,1106 1.951,1107 1.93,1108 2.004,1109 2.072,1110 1.162,1111 2.054,1112 1.556,1113 1.533,1114 1.703,1115 1.771,1116 1.031,1117 1.741,1118 1.421,1119 1.369,1120 1.66,1121 1.648,1122 0.825,1123 1.653,1124 1.284,1125 1.226,1126 1.513,1127 1.519,1128 0.773,1129 1.498,1130 1.167,1131 1.111,1132 1.402,1133 1.404,1134 0.495,1135 1.429,1136 1.153,1137 1.064,1138 1.365,1139 1.376,1140 0.361,1141 1.399,1142 0.96,1143 0.901,1144 1.181,1145 1.188,1146 0.237,1147 1.182,1148 0.728,1149 0.69,1150 1.021,1151 0.986,1152 0.221,1153 0.987,1154 3.97,1155 1.946,1156 5.342,1157 3.932,1158 6.915,1159 5.82,1160 8.585,1161 7.681,1162 10.314,1164 1.608,1165 5.979,1169 2.608,1171 5.293,1173 0.472,1174 1.402,1179 25.197,1180 65.937,1181 142.776,1182 171.24,1183 175.995,1184 175.995,1185 175.995,1186 41.119,1187 7.336,1188 65.6,1189 65.6,1190 20,1191 12.748,1192 3.807,1193 3.087,1194 31.744,1195 70,1196 78,1197 0.229,1198 154.887,1199 270.22,1200 369.684,1201 13576,1202 2.7,1203 16.137,1204 0.702,1205 0.574,1206 16.637,1207 13.208,1208 11.059,1209 0.425,1210 0.299,1211 7.283,1212 10.247,1213 7.101,1214 5.826,1215 11.347,1216 7.762,1217 10.445,1218 0.268,1219 0.161,1220 10.853,1221 6.291,1222 8.871,1223 0.167,1224 0.077,1225 9.133,1226 4.1,1227 7.357,1228 0.101,1229 0.038,1230 7.576,1231 2.75,1232 6.225,1233 0.064,1234 0.019,1235 6.516,1236 1.872,1237 0.345,1238 73.203,1239 0.241,1240 22.157,1241 0.669,1242 130,1243 426.345,1244 160.595,1245 432.039,1246 578.69,1247 402,1248 160,1249 405.097,1250 186.891,1251 415.94,1252 621.21,1253 390,1254 8.009}
{0 CHEMBL458320,1 1.821,2 6.684,3 1.618,4 2.617,5 69.87,6 9.507,7 0.524,8 3.515,9 3.61,10 3.288,11 3.089,12 4.748,13 3.101,14 4.028,15 4.179,16 3.729,17 3.489,18 5.264,19 3.5,20 4.202,21 4.316,22 3.847,23 3.621,24 5.574,25 3.628,26 4.302,27 4.448,28 3.82,29 3.619,30 5.662,31 3.62,32 4.267,33 4.438,34 3.675,35 3.482,36 5.668,37 3.446,38 4.072,39 4.285,40 3.245,41 3.212,42 5.457,43 3.093,44 3.739,45 3.983,46 2.752,47 2.784,48 4.94,49 2.603,50 2.993,51 3.246,52 1.977,53 2.074,54 4.075,55 1.903,56 0.086,57 0.441,58 3.209,59 2.25,60 5.592,61 2.424,62 0.276,63 0.718,64 8.664,65 3.788,66 15.563,67 4.298,68 0.349,69 0.8,70 11.089,71 4.749,72 39.482,73 4.781,74 0.5,75 0.876,76 12.179,77 4.764,78 39.084,79 4.661,80 0.501,81 0.789,82 13.043,83 4.977,84 42.492,85 5.25,86 0.445,87 0.564,88 13.925,89 5.215,90 72.403,91 6.123,92 0.364,93 0.341,94 17.182,95 4.244,96 46.886,97 5.132,98 0.132,99 0.173,100 5.554,101 1.923,102 19.311,103 2.424,104 27,105 32,106 0.346,107 0.724,108 0.829,109 0.86,110 0.86,111 0.86,112 3.014,113 0.864,114 -3.27,115 -3.26,116 -3.12,118 44.8,119 1,123 1,135 3,136 1,137 2,139 1,145 1,148 1,149 1,151 1,159 2,161 3,162 5,166 4,168 2,169 5,173 4,175 3,176 6,183 1,184 7,190 1,191 3,195 2,198 3,202 2,211 1,215 1,216 303,217 12.414,218 12.414,219 12.414,220 12.414,221 12.414,222 10.892,223 16.446,224 6.916,225 12.73,226 10.297,227 10.297,228 10.297,229 10.297,230 10.297,231 7.826,232 18.045,233 3.221,234 10.856,235 3.037,236 1.044,237 0.492,238 0.328,239 0.328,240 0.328,241 3.681,243 1,245 1,246 1,247 270,248 2.646,251 28.839,252 67.314,254 50.756,255 57.192,258 1.141,259 25.565,262 1,263 1,264 1,265 0.4,267 1,268 1,269 0.77,270 41.833,271 127,272 4.71,273 3.821,274 7.124,275 4.346,276 3.394,277 4.399,278 1.277,279 12.345,280 3.235,281 4.209,282 3.546,283 6.409,284 3.815,285 2.826,286 3.82,287 1.2,288 9.724,289 2.794,290 3.711,291 3.022,292 5.928,293 3.368,294 2.417,295 3.012,296 0.293,297 7.915,298 2.288,299 3.629,300 2.915,301 5.536,302 3.212,303 2.27,304 2.923,306 6.759,307 2.132,308 3.295,309 2.507,310 4.955,311 2.884,312 1.951,313 2.49,315 5.633,316 1.717,317 2.746,318 1.763,319 4.146,320 2.272,321 1.305,322 1.826,324 3.311,325 1.253,326 2.468,327 1.49,328 4.055,329 1.922,330 0.952,331 1.402,333 2.515,334 0.914,335 2.42,336 1.157,337 3.652,338 1.882,339 0.9,340 1.299,342 2.381,343 0.866,344 1.789,345 0.813,346 3.226,347 1.34,348 0.349,349 0.463,350 0.828,351 0.341,352 1.195,353 0.414,354 2.734,355 0.742,356 -0.133,357 -0.166,358 -0.328,359 -0.096,360 0.689,361 0.266,362 2.362,363 0.21,364 -0.762,365 -0.924,366 -2,367 -0.619,368 0.535,369 -0.28,370 2,371 0.111,372 -0.866,373 -1.109,374 -2.088,375 -0.834,376 0.311,377 -0.561,378 2,379 0.04,380 -1,381 -1.356,382 -2.401,383 -1.025,384 0.082,385 -0.839,386 1.882,387 -0.335,388 -1.222,389 -1.547,390 -3.258,391 -1.096,392 -0.027,393 -0.997,394 1.698,395 -0.434,396 -1.365,397 -1.738,398 -3.778,399 -1.325,400 9.081,401 0.478,402 0.669,403 0.035,404 26.75,405 1.408,406 13.5,407 0.711,408 13.25,409 0.697,410 12.937,411 0.681,412 19.719,413 0.68,414 18.698,415 0.984,416 5.332,417 0.281,418 3.67,419 0.193,420 0.262,422 0.474,424 0.635,425 1.493,426 0.508,427 0.972,428 0.523,429 0.846,430 0.678,431 0.876,432 0.517,433 0.596,434 0.549,435 0.563,436 1.081,437 1.267,438 0.954,439 1.057,440 1.056,441 0.964,442 1.19,443 1.049,444 0.923,445 0.875,446 1.21,447 0.941,448 0.961,449 1.04,450 0.914,451 1.19,452 1,453 1.23,454 1.022,455 0.88,456 0.943,457 0.981,458 1.134,459 1.124,460 1.272,461 0.668,462 1.782,463 1.205,464 1.322,465 1.177,466 0.993,467 0.824,468 0.901,469 0.97,470 1.275,471 1.101,472 4,474 2.889,475 1.84,476 2.135,477 0.872,478 0.368,479 0.131,480 0.09,482 2654,483 9945,484 2.019,485 34.5,487 6,489 1,491 3,494 1.612,495 1.81,496 2.741,497 -0.672,499 1,500 1,501 1,502 52.802,503 1.821,504 3.814,505 4.366,506 4.53,507 4.53,508 4.53,509 2.234,510 3.722,511 4.22,512 2.81,513 480.476,514 7.232,515 4462.24,516 1,517 1,519 1,520 140.881,521 1.524,522 4.135,523 0.19,525 0.09,526 0.053,527 0.065,528 0.036,529 0.026,530 0.019,531 0.03,533 0.509,534 0.83,535 1,536 0.954,537 78.932,538 -0.053,539 -0.373,540 0.022,541 -0.133,542 -0.054,543 -0.053,544 0.049,545 0.247,546 0.167,547 0.27,548 0.035,549 0.295,550 -0.133,551 -0.221,552 -0.146,553 -0.162,554 -0.096,555 -0.136,556 -0.159,557 0.034,558 -0.175,559 -0.013,560 -0.164,561 -0.118,562 0.028,563 -0.033,564 -0.089,565 -0.283,566 0.015,567 -0.316,568 0.028,569 -0.063,570 0.08,571 0.068,572 0.084,573 -0.01,574 -0.105,575 0.036,576 -0.125,577 -0.008,578 -0.144,579 0.077,580 -0.007,581 -0.097,582 0.226,583 0.148,584 -0.143,585 0.151,586 1.868,587 5.319,588 0.684,589 10.781,590 1.028,591 1.121,592 2.039,593 4.156,594 0.718,595 3.091,596 3.497,597 3.85,598 4.19,599 4.466,600 4.595,601 4.673,602 4.787,603 4.736,604 4.443,605 4.041,606 0.704,607 275.71,608 3.091,609 4.673,610 5.572,611 6.503,612 7.427,613 8.362,614 9.294,615 10.232,616 11.166,617 12.104,618 10.3,623 1,624 1,626 1,632 4,633 1,637 5,638 1,639 11,641 1,642 1,649 1,650 29,652 13,653 1,654 21,656 31,657 13,658 9,659 3,660 3,661 2,663 3,664 6,665 1,667 1,674 11,675 2,677 2,680 2,683 2,685 1,687 10,688 4,690 6,691 1,692 1,694 3,696 0.333,697 2,708 1,709 2,711 1,712 1,728 1,732 2,733 1,735 19,744 1,754 1,755 6.9,758 2,762 10.5,763 6.16,764 4.056,765 1.647,766 2.432,767 1.355,768 1.001,769 2.642,770 9.281,771 3.384,772 4.039,773 4.688,774 5.317,775 5.838,776 6.225,777 6.587,778 6.951,779 7.24,780 7.3,781 0.8,782 35,783 7.011,784 3.092,785 8.067,786 12.906,787 10.653,788 2.567,789 48.778,793 117.711,794 78.635,795 21.809,796 39.149,797 50.29,800 78.635,801 207.15,802 21.809,803 17.222,804 3.124,805 28.429,806 97.303,807 16.427,809 105.94,810 39.149,811 117.711,812 100.444,813 50.29,814 39.149,816 117.711,817 50.29,819 27.552,820 56.106,821 55.934,823 117.711,824 72.099,825 117.783,827 117.711,828 24.366,829 59.292,831 106.224,832 117.711,833 72.099,834 117.783,835 0.606,836 0.372,837 0.209,838 0.122,839 18,840 9,841 0.032,842 1,843 2,844 1.308,845 2.921,846 153.091,847 0.308,848 13,849 78.711,852 12.24,853 4.101,854 1.671,856 70.2,857 6.613,858 4.09,862 2.456,863 1.726,865 307.593,866 28.5,869 23.881,872 -0.376,873 29.818,874 32.519,876 0.375,877 0.785,878 0.899,879 0.932,880 0.932,881 0.932,882 4.661,883 0.9,884 5.617,885 2.515,886 4.174,887 4.723,888 1.966,889 6.541,890 4.08,891 5.917,892 0.349,893 7.255,894 2.381,895 4.007,896 4.718,897 0.325,898 7.662,899 3.86,900 7.265,901 -0.133,902 8.993,903 0.828,904 5.878,905 6.974,906 2.288,907 10.834,908 5.702,909 8.65,910 -0.762,911 10.786,912 -0.328,913 6.494,914 7.767,915 0.653,916 12.758,917 6.276,918 10.067,919 -0.866,920 12.614,921 -2,922 7.905,923 9.534,924 2.666,925 15.485,926 7.653,927 11.506,928 -1,929 14.467,930 -2.088,931 8.856,932 10.683,933 1.001,934 17.742,935 8.56,936 12.963,937 -1.222,938 16.338,939 -2.401,940 10.117,941 12.267,942 3.069,943 20.322,944 9.782,945 3.394,946 -1.365,947 18.223,948 -3.258,949 11.214,950 13.583,951 1.37,952 22.722,953 10.832,954 2.826,955 12.345,956 20.119,957 -3.778,958 12.43,959 15.094,960 3.49,961 25.252,962 12.003,963 2.417,964 9.724,965 22.024,966 4.399,967 13.591,968 16.49,969 1.754,970 27.713,971 13.114,972 2.27,973 7.915,974 23.937,975 3.82,976 14.798,977 17.974,978 3.924,979 30.227,980 14.273,981 1.951,982 6.759,983 25.857,984 3.012,985 15.987,986 19.407,987 2.143,988 32.715,989 15.412,990 1.305,991 5.633,992 27.782,993 2.923,994 17.195,995 20.882,996 4.369,997 35.226,998 16.57,999 0.952,1000 3.311,1001 29.711,1002 2.49,1003 18.399,1004 22.335,1005 2.535,1006 37.726,1007 17.722,1008 2702,1009 5302,1010 13.353,1011 20.83,1012 33.524,1013 34.669,1014 35.205,1015 32.94,1016 32.728,1017 43.269,1018 5.541,1019 102.823,1020 31.081,1021 5.596,1022 5.821,1023 6.414,1024 5.418,1025 5.394,1026 7.399,1027 2.555,1028 20.345,1029 5.235,1030 11.173,1031 1.596,1032 1.651,1033 1.676,1034 1.569,1035 1.558,1036 2.06,1037 0.264,1038 4.896,1039 1.48,1040 4.099,1041 4.137,1042 4.114,1043 3.967,1044 7.431,1045 3.986,1046 3.746,1047 3.771,1048 3.846,1049 3.633,1050 7.425,1051 3.647,1052 3.428,1053 3.482,1054 3.45,1055 3.211,1056 4.977,1057 3.23,1058 3.322,1059 3.387,1060 3.235,1061 3.078,1062 4.816,1063 3.102,1064 2.987,1065 3.04,1066 3.117,1067 2.803,1068 4.222,1069 2.79,1070 2.82,1071 2.864,1072 2.776,1073 2.718,1074 4.004,1075 2.699,1076 2.564,1077 2.633,1078 2.398,1079 2.319,1080 3.743,1081 2.319,1082 2.414,1083 2.446,1084 2.337,1085 2.129,1086 3.58,1087 2.153,1088 0.224,1089 0.182,1090 0.339,1091 0.207,1092 0.162,1093 4.71,1094 0.209,1095 3.821,1096 0.061,1097 7.124,1098 0.588,1099 4.346,1100 0.154,1101 3.394,1102 4.399,1103 1.277,1104 12.345,1105 3.235,1106 1.952,1107 1.93,1108 2.005,1109 2.073,1110 1.164,1111 2.055,1112 1.602,1113 1.572,1114 1.76,1115 1.784,1116 0.828,1117 1.774,1118 1.397,1119 1.339,1120 1.644,1121 1.63,1122 0.697,1123 1.636,1124 1.217,1125 1.145,1126 1.387,1127 1.485,1128 0.469,1129 1.467,1130 0.964,1131 0.916,1132 1.235,1133 1.214,1134 0.263,1135 1.237,1136 0.96,1137 0.871,1138 1.161,1139 1.174,1140 0.216,1141 1.163,1142 0.681,1143 0.647,1144 0.835,1145 0.878,1147 0.885,1148 0.33,1149 0.295,1150 0.573,1151 0.607,1153 0.598,1154 3.761,1156 5.142,1157 2.398,1158 6.727,1159 4.727,1160 8.417,1161 6.88,1162 10.166,1164 3.047,1165 5.923,1174 1.419,1179 20.429,1180 52.802,1181 110.617,1182 126.617,1183 131.372,1184 131.372,1185 131.372,1186 33.331,1187 6.849,1188 56.37,1189 56.37,1190 17,1191 12.602,1192 3.807,1193 3.087,1194 27.522,1195 49,1196 43,1197 0.319,1198 129.507,1199 221.89,1200 307.757,1201 6878,1202 3.4,1203 13.732,1204 0.723,1205 0.584,1206 14.232,1207 11.101,1208 9.003,1209 0.429,1210 0.288,1211 5.599,1212 8.308,1213 5.376,1214 4.448,1215 9.292,1216 6.045,1217 8.691,1218 0.272,1219 0.15,1220 9.099,1221 4.805,1222 7.557,1223 0.164,1224 0.074,1225 7.82,1226 3.382,1227 6.469,1228 0.1,1229 0.037,1230 6.689,1231 2.426,1232 5.49,1233 0.064,1234 0.02,1235 5.781,1236 1.694,1237 0.462,1238 59.961,1239 0.274,1240 18.083,1241 1.006,1242 106,1243 358.61,1244 132.831,1245 373.765,1246 497.87,1247 346,1248 131,1249 345.643,1250 153.849,1251 358.672,1252 531.71,1253 336,1254 5.583}
{0 CHEMBL458321,1 1.711,2 6.556,3 2.399,4 5.754,5 69.057,6 8.724,7 0.55,8 3.531,9 3.642,10 3.244,11 3.103,12 4.664,13 3.092,14 4.063,15 4.236,16 3.671,17 3.512,18 5.163,19 3.49,20 4.243,21 4.407,22 3.785,23 3.644,24 5.412,25 3.615,26 4.327,27 4.497,28 3.731,29 3.638,30 5.548,31 3.607,32 4.297,33 4.497,34 3.58,35 3.514,36 5.543,37 3.426,38 4.128,39 4.393,40 3.067,41 3.256,42 5.107,43 3.063,44 3.777,45 4.052,46 2.584,47 2.828,48 4.737,49 2.571,50 3.071,51 3.395,52 1.769,53 2.139,54 3.685,55 1.859,56 0.034,57 0.458,58 4.595,59 2.441,60 3.919,61 3.029,62 0.214,63 0.747,64 10.738,65 4.177,66 11.97,67 5.385,68 0.187,69 0.848,70 14.806,71 5.352,72 17.922,73 6.655,74 0.359,75 0.91,76 15.058,77 4.954,78 31.586,79 5.707,80 0.406,81 0.819,82 16.203,83 5.432,84 40.465,85 6.859,86 0.245,87 0.602,88 16.724,89 5.862,90 35.361,91 7.738,92 0.264,93 0.358,94 17.461,95 4.492,96 34.268,97 5.865,98 0.062,99 0.192,100 6.567,101 2.251,102 8.417,103 3.271,104 18,105 30,106 0.325,107 0.699,108 0.829,109 0.859,110 0.859,111 0.859,112 2.964,113 0.923,114 -3.87,115 -3.83,116 -3.63,118 43.3,119 1,120 1,123 1,135 3,136 1,137 2,139 1,145 1,149 1,151 1,159 3,161 3,162 5,166 4,168 1,169 7,173 4,175 1,176 6,183 1,184 8,187 2,191 1,195 4,198 1,202 2,208 1,215 1,216 250,217 12.077,218 12.077,219 12.077,220 12.077,221 12.077,222 10.699,223 15.824,224 6.755,225 12.442,226 9.75,227 9.75,228 9.75,229 9.75,230 9.75,231 7.48,232 15.085,233 3.07,234 10.388,235 3.196,236 1.225,237 0.542,238 0.384,239 0.384,240 0.384,241 3.633,243 1,245 1,246 1,247 253,248 2.236,251 26.769,252 62.077,254 47.059,255 52.857,258 1.062,259 17.103,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 38.833,271 118,272 4.691,273 3.805,274 7.093,275 4.328,276 3.377,277 4.374,278 1.2,279 12.231,280 3.214,281 4.134,282 3.139,283 6.306,284 3.711,285 2.745,286 3.754,287 0.293,288 9.394,289 2.646,290 3.708,291 2.966,292 5.928,293 3.365,294 2.412,295 2.986,297 7.913,298 2.287,299 3.498,300 2.608,301 5.14,302 3.052,303 2.164,304 2.798,306 6.09,307 1.864,308 2.989,309 2.089,310 4.875,311 2.665,312 1.725,313 2.111,315 5.138,316 1.589,317 2.65,318 1.623,319 4.098,320 2.163,321 1.207,322 1.713,324 3.142,325 1.14,326 2.465,327 1.224,328 3.941,329 1.914,330 0.94,331 1.388,333 2.478,334 0.907,335 1.844,336 0.838,337 3.229,338 1.435,339 0.458,340 0.571,342 0.934,343 0.439,344 1.495,345 0.569,346 2.936,347 1.285,348 0.302,349 0.358,350 0.549,351 0.294,352 1.168,353 0.263,354 2.458,355 0.721,356 -0.155,357 -0.192,358 -0.352,359 -0.113,360 0.688,361 -0.288,362 2.359,363 0.21,364 -0.765,365 -0.925,366 -1.935,367 -0.628,368 0.342,369 -0.582,370 2,371 0.042,372 -0.873,373 -1.11,374 -2.286,375 -0.837,376 0.082,377 -0.837,378 2,379 -0.331,380 -1.217,381 -1.519,382 -3.198,383 -1.025,384 -0.027,385 -0.976,386 1.82,387 -0.429,388 -1.364,389 -1.622,390 -3.641,391 -1.309,392 -0.131,393 -1.257,394 1.463,395 -0.559,396 -1.451,397 -1.926,398 -4.17,399 -1.37,400 8.748,401 0.486,402 0.542,403 0.03,404 24.5,405 1.361,406 12,407 0.667,408 12.5,409 0.694,410 12.979,411 0.721,412 18.852,413 0.628,414 15.755,415 0.875,416 4.681,417 0.26,418 3.949,419 0.219,420 0.234,422 0.434,424 0.66,425 1.522,426 0.544,427 0.998,428 0.527,429 0.889,430 0.669,431 0.901,432 0.551,433 0.641,434 0.53,435 0.643,436 0.964,437 1.22,438 0.854,439 0.999,440 0.845,441 0.884,442 1.537,443 1.053,444 0.979,445 0.868,446 1.55,447 0.953,448 0.882,449 1.067,450 0.903,451 1.203,452 0.984,453 1.242,454 0.945,455 0.861,456 0.87,457 0.946,458 1.19,459 1.063,460 1.166,461 0.708,462 1.678,463 1.211,464 1.347,465 1.189,466 0.237,467 0.797,468 0.68,469 0.929,470 0.248,471 0.995,472 3.5,474 2.667,475 1.813,476 1.93,477 0.733,478 0.246,479 0.115,480 0.045,482 2315,483 7261,484 2.053,485 40,486 3,487 6,489 1,491 2,494 1.596,495 1.862,496 2.698,497 -0.709,499 1,500 1,501 1,502 51.327,503 1.711,504 3.682,505 4.365,506 4.523,507 4.523,508 4.523,509 2.197,510 3.725,511 4.142,512 2.74,513 419.161,514 7.076,515 3750.31,516 1,517 1,519 1,520 147.207,521 1.53,522 4.071,523 0.175,525 0.089,526 0.055,527 0.064,528 0.035,529 0.022,530 0.023,531 0.023,533 0.486,534 0.83,535 1,536 0.946,537 73.021,538 -0.031,539 -0.374,540 0.03,541 -0.129,542 -0.046,543 -0.047,544 0.12,545 0.223,546 0.154,547 0.24,548 0.057,549 0.237,550 -0.05,551 -0.17,553 -0.077,554 0.017,555 0.018,556 -0.319,557 0.052,558 -0.212,559 -0.013,560 -0.215,561 -0.128,562 0.144,563 -0.06,564 -0.087,565 -0.296,566 0.131,567 -0.328,568 -0.043,569 -0.052,570 0.099,571 0.088,572 -0.078,573 0.024,574 -0.045,575 -0.001,576 -0.135,577 -0.058,578 -0.159,579 -0.03,580 0.262,581 -0.08,582 0.352,583 0.167,584 0.141,585 0.225,586 1.713,587 5.324,588 0.722,589 9.654,590 1.012,591 1.124,592 2.638,593 6.959,594 0.705,595 3.045,596 3.434,597 3.807,598 4.143,599 4.407,600 4.522,601 4.595,602 4.682,603 4.595,604 4.277,605 3.87,606 0.675,607 261.73,608 3.045,609 4.615,610 5.517,611 6.444,612 7.368,613 8.301,614 9.231,615 10.165,616 11.098,617 12.033,618 10,623 1,624 1,626 1,632 4,633 1,637 5,638 1,639 11,642 1,649 1,650 30,652 12,653 1,654 20,656 32,657 13,658 9,659 3,660 3,661 1,663 3,664 6,665 1,667 1,672 1,674 10,675 3,677 1,680 1,683 1,684 1,685 1,687 12,688 3,690 5,691 1,692 1,694 3,696 0.333,697 1,708 1,709 2,711 1,712 1,728 1,732 2,733 1,735 18,739 1,744 1,754 1,755 3.3,758 1,762 9.667,763 6.243,764 3.944,765 1.918,766 2.335,767 1.346,768 1.006,769 2.592,770 9.076,771 3.314,772 3.966,773 4.631,774 5.256,775 5.766,776 6.121,777 6.491,778 6.818,779 7.066,780 7.095,781 0.8,782 33,783 6.637,784 2.87,785 7.812,786 12.569,787 10.422,788 2.312,789 41.611,790 0.001,793 141.253,794 76.036,795 21.809,796 39.149,797 25.145,800 76.036,801 205.547,802 21.809,803 17.222,804 5.659,805 28.429,806 67.025,807 16.427,809 129.482,810 39.149,811 141.253,812 97.845,813 25.145,814 39.149,816 141.253,817 25.145,819 30.086,820 50.973,821 55.934,823 141.253,824 46.954,825 115.184,827 141.253,828 21.767,829 59.292,831 81.079,832 141.253,833 46.954,834 115.184,835 0.596,836 0.38,837 0.217,838 0.124,839 17,840 8,841 0.031,842 1,843 2,844 1.308,845 2.867,846 141.617,847 0.308,848 13,849 75.059,852 11.601,853 4.023,854 1.576,856 45.055,857 7.093,858 4.359,862 3.779,863 1.936,865 303.391,866 26.5,869 12.324,872 -0.046,873 30.374,874 33.724,876 0.349,877 0.75,878 0.89,879 0.922,880 0.922,881 0.922,882 4.582,883 0.458,884 5.549,885 2.478,886 4.111,887 4.649,888 1.356,889 6.469,890 3.995,891 5.826,892 0.302,893 7.182,894 0.934,895 3.892,896 4.605,897 0.325,898 7.579,899 3.696,900 7.171,901 -0.155,902 8.914,903 0.549,904 5.808,905 6.904,906 1.511,907 10.753,908 5.596,909 8.555,910 -0.765,911 10.704,912 -0.352,913 6.399,914 7.676,915 0.653,916 12.672,917 6.125,918 9.972,919 -0.873,920 12.529,921 -1.935,922 7.828,923 9.462,924 1.739,925 15.395,926 7.527,927 11.411,928 -1.217,929 14.38,930 -2.286,931 8.768,932 10.6,933 1.001,934 17.647,935 8.414,936 12.869,937 -1.364,938 16.249,939 -3.198,940 10.035,941 12.191,942 1.993,943 20.222,944 9.644,945 3.377,946 -1.451,947 18.132,948 -3.641,949 11.129,950 13.499,951 1.37,952 22.615,953 10.686,954 2.745,955 12.231,956 20.027,957 -4.17,958 12.346,959 15.012,960 2.264,961 25.14,962 11.86,963 2.412,964 9.394,965 21.93,966 4.374,967 13.505,968 16.401,969 1.754,970 27.594,971 12.967,972 2.164,973 7.913,974 23.842,975 3.754,976 14.711,977 17.883,978 2.551,979 30.102,980 14.126,981 1.725,982 6.09,983 25.76,984 2.986,985 15.899,986 19.312,987 2.143,988 32.582,989 15.263,990 1.207,991 5.138,992 27.683,993 2.798,994 17.105,995 20.783,996 2.851,997 35.086,998 16.42,999 0.94,1000 3.142,1001 29.611,1002 2.111,1003 18.306,1004 22.231,1005 2.535,1006 37.578,1007 17.571,1008 2349,1009 4255,1010 12.948,1011 21.137,1012 31.1,1013 32.104,1014 33.222,1015 30.915,1016 30.658,1017 40.107,1018 2.986,1019 95.738,1020 28.761,1021 5.576,1022 5.805,1023 6.635,1024 5.4,1025 5.377,1026 7.374,1027 2.293,1028 20.231,1029 5.214,1030 9.614,1031 1.555,1032 1.605,1033 1.661,1034 1.546,1035 1.533,1036 2.005,1037 0.149,1038 4.787,1039 1.438,1040 4.097,1041 4.138,1042 4.111,1043 3.968,1044 7.428,1045 3.985,1046 3.739,1047 3.774,1048 3.835,1049 3.635,1050 4.988,1051 3.641,1052 3.417,1053 3.487,1054 3.41,1055 3.214,1056 4.832,1057 3.218,1058 3.309,1059 3.392,1060 3.203,1061 3.079,1062 4.237,1063 3.092,1064 2.987,1065 3.04,1066 3.057,1067 2.803,1068 4.004,1069 2.79,1070 2.82,1071 2.864,1072 2.775,1073 2.718,1074 3.951,1075 2.699,1076 2.547,1077 2.639,1078 2.398,1079 2.319,1080 3.58,1081 2.314,1082 2.383,1083 2.452,1084 2.322,1085 2.13,1086 3.357,1087 2.138,1088 0.235,1089 0.19,1090 0.355,1091 0.216,1092 0.169,1093 4.691,1094 0.219,1095 3.805,1096 0.06,1097 7.093,1098 0.612,1099 4.328,1100 0.161,1101 3.377,1102 4.374,1103 1.2,1104 12.231,1105 3.214,1106 1.953,1107 1.93,1108 2.009,1109 2.074,1110 1.179,1111 2.056,1112 1.636,1113 1.582,1114 1.862,1115 1.801,1116 1.045,1117 1.823,1118 1.408,1119 1.342,1120 1.652,1121 1.634,1122 0.732,1123 1.647,1124 1.219,1125 1.146,1126 1.387,1127 1.486,1128 0.469,1129 1.468,1130 0.964,1131 0.916,1132 1.251,1133 1.214,1134 0.303,1135 1.238,1136 0.96,1137 0.871,1138 1.172,1139 1.174,1140 0.231,1141 1.165,1142 0.683,1143 0.647,1144 0.908,1145 0.881,1147 0.901,1148 0.33,1149 0.295,1150 0.672,1151 0.636,1153 0.664,1154 3.714,1156 5.081,1157 2.398,1158 6.666,1159 4.727,1160 8.356,1161 6.862,1162 10.107,1164 3.789,1165 5.954,1169 0.795,1174 1.629,1179 20.241,1180 51.327,1181 110.452,1182 130.942,1183 135.697,1184 135.697,1185 135.697,1186 25.163,1187 6.742,1188 39.3,1189 39.3,1190 17,1191 12.532,1192 3.7,1193 2.907,1194 25.459,1195 45,1196 40,1197 0.327,1198 128.438,1199 215.74,1200 305.15,1201 6037,1202 3.3,1203 12.861,1204 0.715,1205 0.606,1206 13.361,1207 10.9,1208 8.63,1209 0.432,1210 0.308,1211 5.72,1212 8.009,1213 5.501,1214 4.571,1215 8.919,1216 6.151,1217 7.951,1218 0.265,1219 0.157,1220 8.359,1221 4.701,1222 7.313,1223 0.166,1224 0.079,1225 7.575,1226 3.456,1227 6.261,1228 0.101,1229 0.04,1230 6.48,1231 2.498,1232 5.248,1233 0.065,1234 0.021,1235 5.539,1236 1.736,1237 0.47,1238 57.148,1239 0.278,1240 17.193,1241 1.035,1242 100,1243 298.874,1244 124.728,1245 319.929,1246 434.55,1247 298,1248 124,1249 308.006,1250 144.966,1251 321.187,1252 478.43,1253 302,1254 6.74}
{0 CHEMBL459031,1 1.753,2 8,3 2.031,4 4.123,5 75.782,6 8.581,7 0.5,8 3.656,9 3.761,10 3.348,11 3.175,12 4.783,13 3.178,14 4.2,15 4.368,16 3.748,17 3.563,18 5.306,19 3.557,20 4.344,21 4.501,22 3.854,23 3.695,24 5.514,25 3.676,26 4.431,27 4.603,28 3.83,29 3.708,30 5.627,31 3.68,32 4.42,33 4.619,34 3.743,35 3.591,36 5.655,37 3.533,38 4.284,39 4.52,40 3.382,41 3.378,42 5.367,43 3.27,44 3.992,45 4.214,46 3.048,47 3.163,48 4.973,49 3.003,50 3.829,51 4.106,52 2.548,53 2.856,54 4.714,55 2.666,56 0.061,57 0.507,58 5.535,59 2.869,60 5.316,61 3.497,62 0.342,63 0.802,64 13.285,65 4.764,66 18.533,67 5.846,68 0.338,69 0.899,70 16.822,71 5.864,72 24.546,73 7.155,74 0.477,75 0.963,76 17.566,77 5.835,78 33.355,79 7.183,80 0.465,81 0.888,82 19.198,83 6.216,84 47.36,85 8.042,86 0.508,87 0.708,88 18.608,89 5.573,90 48.767,91 7.072,92 0.29,93 0.507,94 17.33,95 4.735,96 23.343,97 6.074,98 0.225,99 0.411,100 12.653,101 4.316,102 25.333,103 5.819,104 20,105 32,106 0.324,107 0.691,108 0.841,109 0.867,110 0.867,111 0.867,112 3.06,113 0.918,114 -3.34,115 -3.32,116 -3.18,118 41.2,119 1,123 1,124 2,135 3,136 1,137 2,139 1,145 1,149 1,151 1,159 2,161 3,162 5,166 4,168 2,169 4,173 4,175 3,176 4,183 1,184 8,190 1,191 4,198 3,204 1,208 2,211 1,215 2,216 410,217 13.491,218 13.491,219 13.491,220 13.491,221 13.491,222 12.113,223 18.652,224 7.889,225 14.072,226 10.788,227 10.788,228 10.788,229 10.788,230 10.788,231 8.541,232 20.331,233 3.67,234 11.667,235 3.334,236 1.352,237 0.537,238 0.397,239 0.397,240 0.397,241 3.734,243 1,244 1,245 1,246 1,247 340,248 2.646,251 31.498,252 73.957,254 55.543,255 62.701,258 1.3,259 21.114,261 1,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 43.833,271 160,272 4.691,273 3.807,274 7.094,275 4.328,276 3.378,277 4.374,278 1.2,279 12.236,280 3.213,281 4.136,282 3.163,283 6.308,284 3.714,285 2.75,286 3.755,287 1.151,288 9.414,289 2.642,290 3.708,291 2.97,292 5.928,293 3.365,294 2.412,295 2.987,296 0.293,297 7.913,298 2.287,299 3.503,300 2.66,301 5.157,302 3.06,303 2.174,304 2.8,306 6.143,307 1.867,308 3.022,309 2.347,310 4.887,311 2.711,312 1.802,313 2.138,315 5.264,316 1.606,317 2.675,318 1.849,319 4.1,320 2.28,321 1.382,322 1.74,324 3.196,325 1.232,326 2.466,327 1.592,328 3.958,329 2.085,330 1.148,331 1.406,333 2.526,334 1.057,335 2.398,336 1.213,337 3.43,338 1.914,339 0.939,340 1.369,342 2.453,343 0.906,344 1.817,345 0.838,346 3.227,347 1.37,348 0.389,349 0.51,350 0.888,351 0.374,352 1.343,353 0.647,354 2.818,355 1.161,356 0.235,357 0.256,358 0.417,359 0.215,360 1.156,361 0.343,362 2.369,363 0.726,364 -0.146,365 -0.178,366 -0.333,367 -0.106,368 0.688,369 -0.251,370 2.329,371 0.211,372 -0.714,373 -0.79,374 -1.522,375 -0.578,376 0.425,377 -0.395,378 2,379 0.177,380 -0.795,381 -1.078,382 -2.195,383 -0.776,384 0.127,385 -0.782,386 2,387 -0.25,388 -1.114,389 -1.286,390 -2.622,391 -0.944,392 -0.002,393 -0.857,394 1.823,395 -0.386,396 -1.312,397 -1.55,398 -3.264,399 -1.135,400 9.581,401 0.479,402 0.542,403 0.027,404 26,405 1.3,406 12,407 0.6,408 14,409 0.7,410 14.979,411 0.749,412 21.619,413 0.636,414 17.861,415 0.893,416 5.187,417 0.259,418 4.444,419 0.222,420 0.214,422 0.397,424 0.74,425 1.598,426 0.564,427 1.097,428 0.568,429 0.943,430 1.032,431 0.887,432 0.634,433 0.627,434 0.661,435 0.643,436 1.053,437 1.166,438 0.903,439 0.969,440 0.906,441 0.888,442 1.147,443 1.044,444 0.903,445 0.894,446 1.434,447 0.944,448 0.836,449 1.184,450 0.793,451 1.175,452 0.978,453 1.125,454 1.253,455 0.805,456 0.95,457 0.76,458 1.222,459 0.925,460 1.061,461 0.94,462 1.651,463 1.373,464 0.758,465 1.355,466 0.848,467 0.811,468 0.718,469 0.918,470 1.031,471 1.003,472 3.5,473 0.029,474 2.667,475 1.813,476 1.93,477 0.869,478 0.404,479 0.19,480 0.078,481 0.046,482 3229,483 10347,484 2.048,485 41.2,487 10,489 1,492 3,494 1.624,495 1.875,496 2.932,497 -0.689,499 1,501 1,502 59.613,503 1.753,504 3.735,505 4.55,506 4.69,507 4.69,508 4.69,509 2.504,510 3.922,511 4.285,512 3.025,513 574.772,514 7.358,515 5555.34,516 1,517 1,519 1,520 172.974,521 1.522,522 4.231,523 0.159,524 0.014,525 0.083,526 0.052,527 0.058,528 0.033,529 0.024,530 0.017,531 0.011,532 0.011,533 0.464,534 0.83,535 1,536 1.329,537 85.99,538 -0.045,539 -0.413,540 0.036,541 -0.171,542 -0.053,543 -0.065,544 -0.05,545 0.227,546 0.111,547 0.276,548 -0.002,549 0.242,550 -0.073,551 -0.095,552 -0.028,553 -0.022,554 -0.002,555 0.021,556 -0.091,557 0.048,558 -0.109,560 -0.139,561 -0.07,562 0.137,563 -0.189,564 0.046,565 -0.249,566 0.144,567 -0.186,568 -0.12,569 0.114,570 -0.004,571 0.181,572 -0.08,573 0.042,574 -0.125,575 -0.048,576 -0.321,577 -0.322,578 -0.063,579 -0.323,580 0.015,581 -0.044,582 0.152,583 0.091,584 -0.018,585 0.096,586 1.756,587 5.441,588 0.65,589 13.8,590 1.017,591 1.128,592 2.106,593 4.437,594 0.687,595 3.135,596 3.497,597 3.85,598 4.19,599 4.466,600 4.605,601 4.71,602 4.812,603 4.779,604 4.595,605 4.523,606 0.661,607 291.76,608 3.135,609 4.691,610 5.58,611 6.497,612 7.414,613 8.342,614 9.269,615 10.202,616 11.133,617 12.068,618 8.8,623 1,624 1,626 1,632 4,633 1,637 5,638 1,639 11,642 1,649 1,650 34,652 12,653 1,654 22,656 36,657 14,658 9,659 3,660 3,661 1,663 3,664 6,665 1,667 1,674 10,675 4,677 1,680 1,683 1,684 1,685 1,687 14,688 4,690 6,691 1,692 1,694 3,696 0.333,697 2,708 1,709 2,711 1,712 1,727 1,728 1,732 2,733 1,735 20,739 2,741 1,744 1,754 1,755 5.9,758 1,759 1,762 10.667,763 6.91,764 4.444,765 2.084,766 2.334,767 1.336,768 0.982,769 3.44,770 9.281,771 3.384,772 4.003,773 4.65,774 5.277,775 5.794,776 6.16,777 6.546,778 6.88,779 7.146,780 7.232,781 0.833,782 35,783 7.379,784 3.145,785 7.831,786 13.92,787 11.295,788 2.331,789 46.611,790 0.001,793 164.795,794 82.686,795 21.809,796 39.149,797 36.145,800 82.686,801 240.089,802 21.809,803 17.222,804 12.309,805 28.429,806 78.025,807 16.427,809 153.024,810 39.149,811 164.795,812 104.495,813 36.145,814 39.149,816 129.482,817 60.458,818 11,819 36.737,820 50.973,821 55.934,823 164.795,824 57.954,825 121.835,827 164.795,828 28.417,829 59.292,831 92.079,832 164.795,833 57.954,834 121.835,835 0.583,836 0.358,837 0.205,838 0.123,839 17,840 8,841 0.083,842 3,843 2,844 1.308,845 3.094,846 159.89,847 0.308,848 13,849 86.439,852 13.463,853 5.11,854 2.125,856 56.055,857 6.99,858 4.353,862 3.417,863 1.89,865 344.584,866 28.5,869 12.441,872 -0.09,873 34.585,874 38.349,876 0.345,877 0.734,878 0.894,879 0.922,880 0.922,881 0.922,882 4.642,883 0.939,884 5.595,885 2.526,886 4.174,887 4.687,888 1.876,889 6.497,890 4.04,891 5.867,892 0.389,893 7.212,894 2.453,895 3.892,896 4.605,897 0.325,898 7.579,899 3.696,900 7.2,901 0.235,902 8.933,903 0.888,904 5.844,905 6.916,906 2.085,907 10.763,908 5.611,909 8.575,910 -0.146,911 10.716,912 0.417,913 6.399,914 7.676,915 0.653,916 12.675,917 6.121,918 9.985,919 -0.714,920 12.538,921 -0.333,922 7.846,923 9.466,924 2.336,925 15.401,926 7.529,927 11.421,928 -0.795,929 14.386,930 -1.522,931 8.77,932 10.6,933 1.001,934 17.651,935 8.41,936 12.876,937 -1.114,938 16.253,939 -2.195,940 10.045,941 12.193,942 2.602,943 20.227,944 9.642,945 3.378,946 -1.312,947 18.135,948 -2.622,949 11.132,950 13.5,951 1.37,952 22.62,953 10.681,954 2.75,955 12.236,956 20.029,957 -3.264,958 12.353,959 15.013,960 2.878,961 25.145,962 11.856,963 2.412,964 9.414,965 21.933,966 4.374,967 13.509,968 16.402,969 1.754,970 27.599,971 12.963,972 2.174,973 7.913,974 23.844,975 3.755,976 14.716,977 17.885,978 3.162,979 30.107,980 14.122,981 1.802,982 6.143,983 25.762,984 2.987,985 15.903,986 19.313,987 2.143,988 32.588,989 15.259,990 1.382,991 5.264,992 27.685,993 2.8,994 17.109,995 20.785,996 3.453,997 35.091,998 16.416,999 1.148,1000 3.196,1001 29.613,1002 2.138,1003 18.31,1004 22.233,1005 2.535,1006 37.584,1007 17.566,1008 3269,1009 5951,1010 14.334,1011 23.352,1012 33.61,1013 34.933,1014 35.812,1015 33.428,1016 33.22,1017 42.673,1018 5.287,1019 100.899,1020 30.798,1021 5.581,1022 5.807,1023 6.955,1024 5.4,1025 5.378,1026 7.374,1027 2.351,1028 20.236,1029 5.213,1030 10.603,1031 1.528,1032 1.588,1033 1.628,1034 1.519,1035 1.51,1036 1.94,1037 0.24,1038 4.586,1039 1.4,1040 4.096,1041 4.136,1042 4.111,1043 3.965,1044 7.428,1045 3.983,1046 3.735,1047 3.765,1048 3.834,1049 3.614,1050 4.995,1051 3.628,1052 3.508,1053 3.571,1054 3.429,1055 3.283,1056 4.845,1057 3.283,1058 3.38,1059 3.447,1060 3.293,1061 3.138,1062 4.528,1063 3.164,1064 3.054,1065 3.128,1066 3.171,1067 2.875,1068 4.216,1069 2.867,1070 2.982,1071 3.038,1072 2.801,1073 2.788,1074 4.004,1075 2.775,1076 2.78,1077 2.828,1078 2.761,1079 2.629,1080 3.726,1081 2.618,1082 2.484,1083 2.555,1084 2.398,1085 2.227,1086 3.58,1087 2.246,1088 0.213,1089 0.173,1090 0.322,1091 0.197,1092 0.154,1093 4.691,1094 0.199,1095 3.807,1096 0.055,1097 7.094,1098 0.556,1099 4.328,1100 0.146,1101 3.378,1102 4.374,1103 1.2,1104 12.236,1105 3.213,1106 1.952,1107 1.93,1108 2.006,1109 2.073,1110 1.168,1111 2.055,1112 1.589,1113 1.546,1114 1.827,1115 1.812,1116 0.972,1117 1.813,1118 1.454,1119 1.388,1120 1.688,1121 1.676,1122 0.841,1123 1.688,1124 1.309,1125 1.238,1126 1.545,1127 1.545,1128 0.668,1129 1.543,1130 1.183,1131 1.115,1132 1.384,1133 1.436,1134 0.452,1135 1.44,1136 0.96,1137 0.902,1138 1.188,1139 1.189,1140 0.236,1141 1.186,1142 0.745,1143 0.691,1144 1.019,1145 1.003,1146 0.109,1147 1.016,1148 0.575,1149 0.513,1150 0.933,1151 0.852,1152 0.021,1153 0.872,1154 3.807,1156 5.153,1157 2.398,1158 6.715,1159 4.727,1160 8.39,1161 6.862,1162 10.132,1164 3.657,1165 5.975,1169 0.996,1171 5.4,1174 1.583,1179 22.482,1180 59.613,1181 127,1182 154.709,1183 159.464,1184 159.464,1185 159.464,1186 30.023,1187 6.947,1188 48.53,1189 48.53,1190 17,1191 12.567,1192 3.7,1193 2.907,1194 29.765,1195 55,1196 67,1197 0.293,1198 142.027,1199 241.83,1200 338.306,1201 8001,1202 2.9,1203 14.276,1204 0.714,1205 0.601,1206 14.776,1207 12.016,1208 9.63,1209 0.438,1210 0.306,1211 6.258,1212 8.853,1213 6.037,1214 4.994,1215 9.919,1216 6.729,1217 8.685,1218 0.271,1219 0.156,1220 9.093,1221 4.984,1222 7.717,1223 0.168,1224 0.077,1225 7.979,1226 3.564,1227 6.588,1228 0.101,1229 0.039,1230 6.807,1231 2.55,1232 5.6,1233 0.065,1234 0.02,1235 5.891,1236 1.76,1237 0.433,1238 64.148,1239 0.264,1240 19.291,1241 0.888,1242 108,1243 350.61,1244 135.606,1245 361.511,1246 485.55,1247 338,1248 132,1249 335.643,1250 155.679,1251 347.991,1252 517.7,1253 326,1254 7.081}
{0 CHEMBL461511,1 1.855,2 6.556,3 2.477,4 6.135,5 69.334,6 10.45,7 0.55,8 3.454,9 3.547,10 3.308,11 3.061,12 4.637,13 3.06,14 3.978,15 4.122,16 3.721,17 3.477,18 5.165,19 3.464,20 4.127,21 4.249,22 3.87,23 3.6,24 5.407,25 3.586,26 4.255,27 4.407,28 3.864,29 3.602,30 5.543,31 3.575,32 4.177,33 4.349,34 3.715,35 3.46,36 5.525,37 3.369,38 3.962,39 4.2,40 3.322,41 3.133,42 5.165,43 2.951,44 3.299,45 3.504,46 2.798,47 2.594,48 4.427,49 2.353,50 2.64,51 2.929,52 2.03,53 1.824,54 3.484,55 1.562,56 0.087,57 0.407,58 1.98,59 1.965,60 5.055,61 2.112,62 0.296,63 0.665,64 9.449,65 3.605,66 14.626,67 3.879,68 0.288,69 0.743,70 8.805,71 4.228,72 19.418,73 4.377,74 0.493,75 0.799,76 10.874,77 4.672,78 32.205,79 4.205,80 0.45,81 0.669,82 12.172,83 5.23,84 40.6,85 5.767,86 0.464,87 0.447,88 19.661,89 5.442,90 55.893,91 6.27,92 0.222,93 0.188,94 13.736,95 2.997,96 19.254,97 3.57,98 0.116,99 0.087,100 8.342,101 1.742,102 12.605,103 2.279,104 18,105 30,106 0.36,107 0.748,108 0.841,109 0.875,110 0.875,111 0.875,112 2.964,113 0.937,114 -3.87,115 -3.83,116 -3.63,118 44.4,123 1,124 1,135 3,136 1,137 2,139 1,145 1,149 1,151 1,159 2,161 3,162 4,166 4,168 1,169 5,173 4,175 1,176 6,183 1,184 7,191 1,195 2,198 1,202 2,215 1,216 250,217 12.077,218 12.077,219 12.077,220 12.077,221 12.077,222 10.699,223 16.625,224 6.755,225 12.514,226 9.75,227 9.75,228 9.75,229 9.75,230 9.75,231 7.48,232 17.797,233 3.07,234 10.54,235 2.9,236 0.902,237 0.426,238 0.25,239 0.25,240 0.25,241 3.633,242 1,243 1,245 1,246 1,247 253,248 2.236,251 26.769,252 62.077,254 47.059,255 52.857,258 1.062,259 20.106,262 1,263 0.83,264 1,265 0.4,267 1,268 1,269 0.75,270 39.167,271 118,272 4.691,273 3.807,274 7.093,275 4.327,276 3.377,277 4.374,278 1.2,279 12.231,280 3.211,281 4.134,282 3.171,283 6.306,284 3.706,285 2.745,286 3.754,287 1.03,288 9.394,289 2.624,290 3.708,291 2.971,292 5.928,293 3.365,294 2.412,295 2.986,296 0.293,297 7.913,298 2.287,299 3.498,300 2.66,301 5.14,302 3.045,303 2.164,304 2.798,306 6.09,307 1.836,308 2.989,309 2.286,310 4.875,311 2.638,312 1.725,313 2.111,315 5.138,316 1.544,317 2.65,318 1.682,319 4.098,320 2.15,321 1.207,322 1.713,324 3.142,325 1.115,326 2.465,327 1.387,328 3.941,329 1.914,330 0.94,331 1.388,333 2.478,334 0.907,335 1.844,336 1.133,337 3.229,338 1.371,339 0.458,340 0.571,342 0.934,343 0.373,344 1.495,345 0.811,346 2.936,347 1.083,348 0.302,349 0.358,350 0.549,351 0.206,352 1.168,353 0.387,354 2.458,355 0.671,356 -0.155,357 -0.192,358 -0.352,359 -0.106,360 0.688,361 -0.24,362 2.359,363 0.21,364 -0.765,365 -0.925,366 -1.935,367 -0.587,368 0.342,369 -0.399,370 2,371 -0.057,372 -0.873,373 -1.11,374 -2.286,375 -0.798,376 0.082,377 -0.823,378 2,379 -0.35,380 -1.217,381 -1.519,382 -3.198,383 -0.983,384 -0.027,385 -0.925,386 1.82,387 -0.448,388 -1.364,389 -1.622,390 -3.641,391 -1.254,392 -0.131,393 -1.188,394 1.463,395 -0.586,396 -1.451,397 -1.926,398 -4.17,399 -1.366,400 8.962,401 0.498,402 0.542,403 0.03,404 24.75,405 1.375,406 12,407 0.667,408 12.75,409 0.708,410 12.701,411 0.706,412 18.638,413 0.69,414 16.033,415 0.891,416 4.798,417 0.267,418 3.832,419 0.213,420 0.252,422 0.424,424 0.655,425 1.524,426 0.466,427 0.864,428 0.525,429 0.789,430 0.802,431 0.857,432 0.726,433 0.648,434 0.634,435 0.638,436 0.91,437 1.285,438 0.771,439 1.031,440 0.848,441 0.951,442 1.254,443 0.987,444 0.817,445 0.845,446 1.426,447 0.939,448 0.807,449 1.125,450 0.87,451 1.238,452 1.025,453 1.284,454 1.167,455 0.674,456 1.198,457 0.924,458 1.323,459 1.006,460 1.227,461 0.82,462 2.237,463 1.619,464 0.848,465 1.509,466 1.08,467 0.408,468 1.727,469 0.909,470 0.738,471 0.798,472 3.5,474 2.667,475 1.813,476 1.93,477 0.733,478 0.246,479 0.115,480 0.045,482 2315,483 9355,484 2.053,485 33.3,487 8,489 1,494 1.596,495 1.862,496 2.698,497 -0.654,501 1,502 50.078,503 1.855,504 3.852,505 4.329,506 4.505,507 4.505,508 4.505,509 2.197,510 3.725,511 4.142,512 2.74,513 419.161,514 7.076,515 3750.31,516 1,517 1,519 1,520 128.382,521 1.53,522 4.071,523 0.175,525 0.089,526 0.055,527 0.064,528 0.035,529 0.022,530 0.023,531 0.023,533 0.486,534 0.83,535 1,536 0.946,537 73.021,538 -0.063,539 -0.401,540 0.009,541 -0.124,542 -0.051,543 -0.055,544 -0.029,545 0.269,546 -0.039,547 0.175,548 -0.027,549 0.179,550 -0.081,551 -0.214,552 -0.089,553 -0.211,554 -0.024,555 -0.152,556 -0.207,557 0.085,558 -0.11,559 0.008,560 -0.204,561 -0.112,562 0.162,563 -0.195,564 -0.002,565 -0.282,566 0.102,567 -0.304,568 -0.03,569 0.086,570 0.09,571 0.258,572 -0.032,573 0.234,574 -0.092,575 -0.143,576 -0.338,577 -0.324,578 -0.079,579 -0.232,580 0.026,581 0.184,582 0.194,583 0.522,584 0.055,585 0.734,586 1.771,587 5.281,588 0.722,589 9.654,590 1.03,591 1.12,592 2.638,593 6.959,594 0.749,595 3.045,596 3.434,597 3.807,598 4.143,599 4.407,600 4.522,601 4.595,602 4.682,603 4.595,604 4.277,605 3.87,606 0.724,607 282.14,608 3.045,609 4.615,610 5.517,611 6.444,612 7.368,613 8.301,614 9.231,615 10.165,616 11.098,617 12.033,618 11.1,623 1,624 1,626 1,632 4,633 1,637 5,638 1,639 11,642 1,649 1,650 27,652 12,653 1,654 20,656 29,657 12,658 9,659 3,660 3,661 1,662 1,663 3,664 6,665 2,667 1,674 10,675 2,677 1,680 1,683 1,685 1,687 9,688 3,690 6,691 2,692 1,694 3,696 0.333,697 1,708 1,709 2,711 1,712 1,728 1,732 1,733 2,735 18,739 1,744 1,754 2,755 3.7,758 1,762 9.667,763 5.386,764 3.944,765 1.489,766 2.335,767 1.346,768 1.011,769 2.754,770 9.076,771 3.314,772 3.966,773 4.631,774 5.256,775 5.766,776 6.121,777 6.491,778 6.818,779 7.066,780 7.095,781 0.8,782 33,783 6.619,784 2.887,785 7.929,786 12.356,787 10.247,788 2.429,789 43.722,790 0.001,793 105.94,794 67.526,795 21.809,796 78.297,797 25.145,800 67.526,801 209.382,802 21.809,803 8.396,804 5.974,805 28.429,806 67.025,807 16.427,809 133.317,810 39.149,811 105.94,812 89.334,813 25.145,814 78.297,816 105.94,817 25.145,819 21.576,820 50.973,821 95.083,823 105.94,824 46.954,825 145.823,827 105.94,828 22.082,829 50.467,831 120.228,832 105.94,833 46.954,834 145.823,835 0.596,836 0.38,837 0.217,838 0.124,839 17,840 8,843 2,844 1.308,845 2.867,846 141.617,847 0.308,848 13,849 75.059,852 11.871,853 4.175,854 1.651,856 45.055,857 6.899,858 4.227,862 3.284,863 1.852,865 298.717,866 26.5,869 12.281,872 -0.105,873 27.815,874 30.253,876 0.39,877 0.81,878 0.91,879 0.947,880 0.947,881 0.947,882 4.582,883 0.458,884 5.549,885 2.478,886 4.111,887 4.649,888 1.792,889 6.469,890 3.973,891 5.826,892 0.302,893 7.182,894 0.934,895 3.892,896 4.605,897 0.325,898 7.579,899 3.696,900 7.171,901 -0.155,902 8.914,903 0.549,904 5.808,905 6.904,906 1.914,907 10.753,908 5.573,909 8.555,910 -0.765,911 10.704,912 -0.352,913 6.399,914 7.676,915 0.653,916 12.672,917 6.113,918 9.972,919 -0.873,920 12.529,921 -1.935,922 7.828,923 9.462,924 2.09,925 15.395,926 7.505,927 11.411,928 -1.217,929 14.38,930 -2.286,931 8.768,932 10.6,933 1.001,934 17.647,935 8.398,936 12.869,937 -1.364,938 16.249,939 -3.198,940 10.035,941 12.191,942 2.289,943 20.222,944 9.624,945 3.377,946 -1.451,947 18.132,948 -3.641,949 11.129,950 13.499,951 1.37,952 22.615,953 10.668,954 2.745,955 12.231,956 20.027,957 -4.17,958 12.346,959 15.012,960 2.51,961 25.14,962 11.84,963 2.412,964 9.394,965 21.93,966 4.374,967 13.505,968 16.401,969 1.754,970 27.594,971 12.948,972 2.164,973 7.913,974 23.842,975 3.754,976 14.711,977 17.883,978 2.752,979 30.102,980 14.106,981 1.725,982 6.09,983 25.76,984 2.986,985 15.899,986 19.312,987 2.143,988 32.582,989 15.243,990 1.207,991 5.138,992 27.683,993 2.798,994 17.105,995 20.783,996 3.012,997 35.086,998 16.4,999 0.94,1000 3.142,1001 29.611,1002 2.111,1003 18.306,1004 22.231,1005 2.535,1006 37.578,1007 17.55,1008 2349,1009 4777,1010 12.948,1011 20.233,1012 31.1,1013 32.797,1014 33.222,1015 30.817,1016 30.658,1017 40.107,1018 5.046,1019 95.738,1020 28.204,1021 5.576,1022 5.807,1023 6.635,1024 5.399,1025 5.377,1026 7.374,1027 2.293,1028 20.231,1029 5.211,1030 9.614,1031 1.555,1032 1.64,1033 1.661,1034 1.541,1035 1.533,1036 2.005,1037 0.252,1038 4.787,1039 1.41,1040 4.095,1041 4.134,1042 4.122,1043 3.966,1044 7.428,1045 3.983,1046 3.726,1047 3.757,1048 3.885,1049 3.62,1050 5.006,1051 3.628,1052 3.392,1053 3.455,1054 3.616,1055 3.16,1056 4.864,1057 3.182,1058 3.122,1059 3.18,1060 3.316,1061 2.964,1062 4.59,1063 2.947,1064 2.984,1065 3.038,1066 3.161,1067 2.795,1068 4.21,1069 2.781,1070 2.781,1071 2.826,1072 2.776,1073 2.669,1074 4.004,1075 2.646,1076 2.466,1077 2.508,1078 2.399,1079 2.231,1080 3.58,1081 2.246,1082 2.231,1083 2.297,1084 2.351,1085 2.016,1086 3.365,1087 2.027,1088 0.235,1089 0.19,1090 0.355,1091 0.216,1092 0.169,1093 4.691,1094 0.219,1095 3.807,1096 0.06,1097 7.093,1098 0.612,1099 4.327,1100 0.161,1101 3.377,1102 4.374,1103 1.2,1104 12.231,1105 3.211,1106 1.952,1107 1.93,1108 2.005,1109 2.072,1110 1.168,1111 2.055,1112 1.556,1113 1.515,1114 1.695,1115 1.722,1116 0.875,1117 1.726,1118 1.345,1119 1.285,1120 1.539,1121 1.569,1122 0.674,1123 1.57,1124 1.193,1125 1.125,1126 1.384,1127 1.443,1128 0.452,1129 1.445,1130 0.96,1131 0.902,1132 1.187,1133 1.188,1134 0.236,1135 1.185,1136 0.747,1137 0.694,1138 0.97,1139 0.956,1140 0.028,1141 0.987,1142 0.544,1143 0.492,1144 0.702,1145 0.786,1147 0.774,1148 0.329,1149 0.295,1150 0.565,1151 0.578,1153 0.595,1154 3.714,1156 5.081,1157 2.398,1158 6.666,1159 4.727,1160 8.356,1161 6.862,1162 10.107,1164 1.704,1165 11.768,1169 0.267,1174 1.545,1179 19.541,1180 50.078,1181 104.017,1182 116.872,1183 121.627,1184 121.627,1185 121.627,1186 26.344,1187 6.742,1188 39.3,1189 39.3,1190 17,1191 12.532,1192 3.7,1193 2.907,1194 25.459,1195 45,1196 40,1197 0.327,1198 127.179,1199 213.65,1200 302.076,1201 6037,1202 7.4,1203 12.861,1204 0.715,1205 0.613,1206 13.861,1207 11.034,1208 8.63,1209 0.432,1210 0.312,1211 5.322,1212 7.69,1213 5.089,1214 4.177,1215 9.272,1216 6.246,1217 7.951,1218 0.265,1219 0.158,1220 8.563,1221 4.748,1222 7.313,1223 0.166,1224 0.08,1225 7.837,1226 3.501,1227 6.261,1228 0.101,1229 0.041,1230 6.718,1231 2.532,1232 5.248,1233 0.065,1234 0.022,1235 5.793,1236 1.769,1237 0.47,1238 61.037,1239 0.278,1240 17.193,1241 1.035,1242 100,1243 325.078,1244 136.344,1245 371.366,1246 488.31,1247 346,1248 124,1249 316.438,1250 153.097,1251 336.125,1252 500.81,1253 314,1254 6.301}
{0 CHEMBL461716,1 1.672,2 10.346,3 3.383,4 11.442,5 95.804,6 7.82,7 0.393,8 3.922,9 4.033,10 3.658,11 3.69,12 5.053,13 3.555,14 4.458,15 4.636,16 3.959,17 4.026,18 5.595,19 3.894,20 4.658,21 4.819,22 4.03,23 4.045,24 5.876,25 3.984,26 4.793,27 5.011,28 4.061,29 4.064,30 5.989,31 3.984,32 4.593,33 4.742,34 3.967,35 4.002,36 5.915,37 3.916,38 4.634,39 4.822,40 3.791,41 3.944,42 5.926,43 3.818,44 4.59,45 4.837,46 3.64,47 3.849,48 5.541,49 3.696,50 4.48,51 4.718,52 3.534,53 3.742,54 5.555,55 3.558,56 0.002,57 0.785,58 10.36,59 6.259,60 8.471,61 6.307,62 0.468,63 1.333,64 25.476,65 13.458,66 37.086,67 12.396,68 0.223,69 1.302,70 20.818,71 8.972,72 35.611,73 11.194,74 0.539,75 1.438,76 28.292,77 10.824,78 62.037,79 13.055,80 0.268,81 1.276,82 21.972,83 9.932,84 53.055,85 10.287,86 0.503,87 1.254,88 23.914,89 9.921,90 85.763,91 10.977,92 0.319,93 1.225,94 24.83,95 9.746,96 39.904,97 12.126,98 0.189,99 1.058,100 21.965,101 9.659,102 43.964,103 10.987,104 62,105 42,106 0.285,107 0.624,108 0.767,109 0.784,110 0.784,111 0.784,112 3.305,113 1.278,114 -4.18,115 -4.12,116 -3.9,118 40.4,119 1,123 4,124 1,133 1,134 1,135 3,136 2,137 1,139 1,145 1,149 2,151 1,159 5,161 4,162 5,166 6,168 3,169 4,173 4,175 5,176 8,183 1,184 8,190 2,191 7,198 5,204 3,208 2,211 2,215 2,216 894,217 16.801,218 16.801,219 16.801,220 16.801,221 16.801,222 15.2,223 19.557,224 9.554,225 17.22,226 13.734,227 13.734,228 13.734,229 13.734,230 13.734,231 10.916,232 19.668,233 4.422,234 14.286,235 3.882,236 1.894,237 1.054,238 0.953,239 0.953,240 0.953,241 3.976,244 1,245 1,246 1,247 557,248 4.123,251 49.693,252 108.974,254 84.962,255 92.573,258 2.015,259 31.37,261 1,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 55.833,271 269,272 4.715,273 3.834,274 7.128,275 4.349,276 3.397,277 4.405,278 1.674,279 12.367,280 3.24,281 4.373,282 3.638,283 6.434,284 4.104,285 3.104,286 3.877,287 1.2,288 9.968,289 3.102,290 4.198,291 3.142,292 6.395,293 3.837,294 2.852,295 3.466,296 0.293,297 9.827,298 2.796,299 3.774,300 3.02,301 5.928,302 3.418,303 2.442,304 3.018,306 7.916,307 2.385,308 3.676,309 2.866,310 5.644,311 3.304,312 2.346,313 2.941,315 7.277,316 2.234,317 3.448,318 2.506,319 5.241,320 3.033,321 2.065,322 2.599,324 6.41,325 1.98,326 2.97,327 1.832,328 4.318,329 2.342,330 1.419,331 1.855,333 3.641,334 1.304,335 2.768,336 1.751,337 4.093,338 2.12,339 1.177,340 1.576,342 2.997,343 1.1,344 2.485,345 1.499,346 3.858,347 1.914,348 0.941,349 1.383,350 2.477,351 0.907,352 2.461,353 1.173,354 3.375,355 1.781,356 0.791,357 1.216,358 1.686,359 0.774,360 2.057,361 0.824,362 3.228,363 1.621,364 0.63,365 0.894,366 1.277,367 0.62,368 1.784,369 0.73,370 2.985,371 1.336,372 0.344,373 0.457,374 0.814,375 0.337,376 1.136,377 0.277,378 2.709,379 0.719,380 -0.261,381 -0.331,382 -0.677,383 -0.254,384 0.68,385 -0.039,386 2.518,387 0.396,388 -0.579,389 -0.656,390 -0.919,391 -0.555,392 0.671,393 -0.378,394 2.168,395 0.231,396 -0.789,397 -0.989,398 -2.338,399 -0.799,400 12.95,401 0.498,402 0.947,403 0.036,404 33.5,405 1.288,406 15.5,407 0.596,408 18,409 0.692,410 22.118,411 0.851,412 27.25,413 0.58,414 26.879,415 1.034,416 6.046,417 0.233,418 6.179,419 0.238,420 0.245,421 0.097,422 0.332,424 0.816,425 1.376,426 0.847,427 1.334,428 0.609,429 1.022,430 0.782,431 1.333,432 1.274,433 2.126,434 0.504,435 1.26,436 0.767,437 1.05,438 0.77,439 0.608,440 0.798,441 0.907,442 0.917,443 0.714,444 0.683,445 0.496,446 1.291,447 0.638,448 1.326,449 1.193,450 1.12,451 1.069,452 1.48,453 1.101,454 1.162,455 0.947,456 1.119,457 0.827,458 1.11,459 1.031,460 0.837,461 1.021,462 0.838,463 0.898,464 0.672,465 0.985,466 1.005,467 1.028,468 0.895,469 0.829,470 1.134,471 0.952,472 6.5,473 0.122,474 3.556,475 2.09,476 2.495,477 1.32,478 0.771,479 0.52,480 0.344,481 0.188,482 6899,483 18382,484 1.961,485 44.7,487 17,489 1,492 3,494 1.692,495 1.763,496 3.28,497 -0.722,498 1,499 1,502 78.607,503 1.672,504 3.661,505 4.5,506 4.602,507 4.602,508 4.602,509 2.903,510 4.104,511 4.661,512 3.485,513 1132.52,514 8.093,515 13612.9,517 1,519 1,520 261.066,521 1.75,522 4.579,523 0.232,524 0.011,525 0.085,526 0.048,527 0.057,528 0.034,529 0.025,530 0.021,531 0.016,532 0.011,533 0.538,534 0.5,535 1,536 1.544,537 125.734,539 -0.097,540 0.14,541 0.126,542 -0.071,543 0.087,544 0.316,545 0.077,546 -0.022,547 -0.197,548 0.164,549 0.019,550 0.077,551 -0.163,552 -0.022,553 -0.074,554 0.006,555 -0.113,556 0.137,557 0.175,558 0.197,559 0.144,560 -0.042,561 0.204,562 -0.093,563 -0.148,564 -0.199,565 -0.119,566 -0.074,567 -0.195,568 0.007,569 0.005,570 -0.21,571 -0.022,572 0.09,573 -0.151,574 -0.144,575 -0.13,576 0.079,577 -0.07,578 -0.007,579 -0.022,580 -0.044,581 -0.137,582 0.072,583 0.054,584 -0.023,585 0.013,586 2.207,587 5.856,588 0.5,589 26.503,590 1,591 1.119,592 2.952,593 8.712,594 0.708,595 3.367,596 3.761,597 4.025,598 4.344,599 4.635,600 4.804,601 4.963,602 5.147,603 5.231,604 5.182,605 6.015,606 0.656,607 367.52,608 3.367,609 4.949,610 5.814,611 6.737,612 7.634,613 8.563,614 9.475,615 10.408,616 11.329,617 12.264,618 6.4,623 1,624 1,626 1,632 4,633 1,637 5,638 1,639 11,642 1,643 1,650 47,652 14,653 1,654 28,656 49,657 19,658 9,659 3,660 3,661 2,663 3,664 6,667 1,673 2,674 11,675 6,677 2,680 2,683 2,684 1,685 1,687 21,688 5,690 7,691 1,692 1,694 3,696 0.333,697 3,708 1,709 2,711 1,712 1,715 2,728 1,732 5,735 26,739 1,741 1,744 1,746 1,747 1,753 2,755 6.4,758 2,760 1,762 14.75,763 10.433,764 5.597,765 2.924,766 2.905,767 1.389,768 1.001,769 4.99,770 10.38,771 3.651,772 4.259,773 4.895,774 5.486,775 6.04,776 6.494,777 6.956,778 7.4,779 7.787,780 8.06,781 1,782 44,783 9.683,784 4.184,785 7.86,786 18.35,787 15.345,788 2.36,789 61.361,792 1,793 188.338,794 113.175,795 35.47,797 50.29,800 106.402,801 241.692,802 36.45,803 8.825,804 8.852,805 56.857,806 77.97,807 31.313,808 11.771,809 176.567,811 188.338,812 145.453,813 57.643,816 188.338,817 54.454,819 32.144,820 83.927,821 33.816,823 200.109,824 83.099,825 128.737,827 188.338,828 34.329,829 77.058,831 97.742,832 188.338,833 89.637,834 128.737,835 0.597,836 0.335,837 0.181,838 0.107,839 21,840 11,841 0.061,842 3,843 2,844 1.308,845 3.557,846 225.074,847 0.308,848 13,849 117.457,852 18.731,853 6.927,854 3.599,856 84.195,857 7.067,858 4.163,862 2.583,863 1.735,865 414.867,866 37.5,869 24.981,872 -0.739,873 47.018,874 52.584,875 1,876 0.301,877 0.659,878 0.81,879 0.828,880 0.828,881 0.828,882 4.947,883 1.177,884 5.878,885 3.641,886 4.443,887 4.945,888 2.25,889 6.788,890 4.376,891 6.215,892 0.941,893 7.509,894 2.997,895 4.369,896 4.913,897 0.325,898 8.019,899 4.299,900 7.571,901 0.791,902 9.245,903 2.477,904 6.184,905 7.182,906 3.008,907 11.07,908 6.063,909 8.961,910 0.63,911 11.037,912 1.686,913 6.858,914 7.93,915 0.653,916 13.031,917 6.726,918 10.379,919 0.344,920 12.863,921 1.277,922 8.238,923 9.716,924 3.907,925 15.691,926 8.064,927 11.818,928 -0.261,929 14.712,930 0.814,931 9.207,932 10.819,933 1.001,934 17.944,935 9.011,936 13.273,937 -0.579,938 16.576,939 -0.677,940 10.449,941 12.413,942 4.874,943 20.486,944 10.215,945 3.397,946 -0.789,947 18.453,948 -0.919,949 11.543,950 13.696,951 1.37,952 22.87,953 11.278,954 3.104,955 12.367,956 20.34,957 -2.338,958 12.742,959 15.209,960 5.875,961 25.377,962 12.439,963 2.852,964 9.968,965 22.234,966 4.405,967 13.891,968 16.583,969 1.754,970 27.823,971 13.551,972 2.442,973 9.827,974 24.136,975 3.877,976 15.082,977 18.065,978 6.892,979 30.323,980 14.702,981 2.346,982 7.916,983 26.044,984 3.466,985 16.257,986 19.485,987 2.143,988 32.8,989 15.836,990 2.065,991 7.277,992 27.958,993 3.018,994 17.449,995 20.956,996 7.916,997 35.3,998 16.986,999 1.419,1000 6.41,1001 29.876,1002 2.941,1003 18.637,1004 22.401,1005 2.535,1006 37.794,1007 18.131,1008 7008,1009 11649,1010 17.512,1011 33.29,1012 45.274,1013 45.682,1014 45.286,1015 43.003,1016 43.015,1017 55.374,1018 6.334,1019 133.317,1020 41.562,1021 5.605,1022 5.834,1023 6.897,1024 5.422,1025 5.397,1026 7.405,1027 3.349,1028 20.367,1029 5.24,1030 17.26,1031 1.617,1032 1.632,1033 1.617,1034 1.536,1035 1.536,1036 1.978,1037 0.226,1038 4.761,1039 1.484,1040 4.104,1041 4.141,1042 4.181,1043 4.563,1044 7.434,1045 4.041,1046 3.792,1047 3.819,1048 4.057,1049 3.962,1050 7.426,1051 3.917,1052 3.652,1053 3.691,1054 3.703,1055 3.621,1056 4.95,1057 3.631,1058 3.506,1059 3.565,1060 3.391,1061 3.286,1062 4.782,1063 3.291,1064 3.382,1065 3.448,1066 3.291,1067 3.148,1068 4.456,1069 3.172,1070 3.121,1071 3.147,1072 3.026,1073 2.987,1074 4.383,1075 2.982,1076 3.004,1077 3.045,1078 2.885,1079 2.788,1080 4.024,1081 2.794,1082 2.922,1083 3.009,1084 2.767,1085 2.727,1086 3.959,1087 2.748,1088 0.168,1089 0.137,1090 0.255,1091 0.155,1092 0.121,1093 4.715,1094 0.157,1095 3.834,1096 0.06,1097 7.128,1098 0.442,1099 4.349,1100 0.116,1101 3.397,1102 4.405,1103 1.674,1104 12.367,1105 3.24,1106 1.982,1107 1.963,1108 2.032,1109 2.08,1110 1.335,1111 2.065,1112 1.809,1113 1.779,1114 1.81,1115 1.805,1116 1.168,1117 1.801,1118 1.569,1119 1.54,1120 1.789,1121 1.701,1122 0.94,1123 1.773,1124 1.461,1125 1.396,1126 1.684,1127 1.599,1128 0.781,1129 1.685,1130 1.308,1131 1.25,1132 1.424,1133 1.538,1134 0.505,1135 1.52,1136 1.177,1137 1.118,1138 1.417,1139 1.429,1140 0.469,1141 1.421,1142 0.984,1143 0.942,1144 1.417,1145 1.239,1146 0.469,1147 1.308,1148 0.934,1149 0.863,1150 1.39,1151 1.239,1152 0.361,1153 1.308,1154 4.043,1156 5.416,1157 2.398,1158 6.976,1159 4.727,1160 8.632,1161 6.88,1162 10.347,1164 9.875,1169 0.249,1171 5.04,1174 1.428,1176 -1.504,1178 6.483,1179 30.835,1180 78.607,1181 172.069,1182 211.517,1183 216.272,1184 216.272,1185 216.272,1186 60.144,1187 7.475,1188 65.6,1189 65.6,1190 17,1191 12.766,1192 3.907,1193 3.392,1194 44.316,1195 95,1196 98,1197 0.246,1198 193.597,1199 349.5,1200 464.136,1201 15729,1203 19.06,1204 0.733,1205 0.638,1206 19.31,1207 16.583,1208 12.225,1209 0.437,1210 0.426,1211 8.662,1212 10.989,1213 7.883,1214 6.66,1215 13.152,1216 11.928,1217 12.073,1218 0.287,1219 0.282,1220 13.478,1221 11.853,1222 9.325,1223 0.17,1224 0.087,1225 9.772,1226 4.777,1227 7.796,1228 0.103,1229 0.043,1230 8.114,1231 3.233,1232 6.57,1233 0.064,1234 0.024,1235 6.942,1236 2.398,1237 0.378,1238 84.443,1239 0.239,1240 24.755,1241 0.7,1242 140,1243 425.643,1244 175.635,1245 416.951,1246 569.75,1247 388,1248 167,1249 415.405,1250 207.567,1251 431.791,1252 636.31,1253 402,1254 8.301}
{0 CHEMBL461717,1 1.618,2 10.607,3 3.965,4 15.722,5 104.86,6 7.464,7 0.367,8 4.03,9 4.147,10 3.716,11 3.774,12 5.131,13 3.639,14 4.582,15 4.769,16 4.064,17 4.125,18 5.688,19 3.999,20 4.826,21 4.978,22 4.098,23 4.18,24 6.012,25 4.106,26 5.014,27 5.277,28 4.143,29 4.193,30 6.114,31 4.09,32 4.721,33 4.865,34 4.06,35 4.095,36 6.065,37 4.016,38 4.749,39 4.937,40 3.942,41 4.062,42 6.024,43 3.951,44 4.769,45 5.012,46 3.816,47 4.031,48 5.704,49 3.893,50 4.712,51 4.939,52 3.747,53 3.996,54 5.776,55 3.816,56 0.02,57 0.866,58 12.419,59 7.052,60 10.042,61 7.457,62 0.447,63 1.459,64 28.236,65 14.389,66 38.374,67 14.165,68 0.34,69 1.504,70 26.085,71 10.656,72 44.615,73 13.333,74 0.593,75 1.71,76 37.405,77 13.939,78 68.987,79 17.836,80 0.375,81 1.405,82 26.321,83 10.991,84 73.19,85 11.684,86 0.53,87 1.432,88 27.192,89 10.597,90 90.465,91 12.364,92 0.419,93 1.485,94 29.253,95 10.358,96 43.058,97 13.494,98 0.165,99 1.326,100 26.573,101 11.859,102 40.027,103 14.246,104 94,105 47,106 0.269,107 0.587,108 0.714,109 0.729,110 0.729,111 0.729,112 3.375,113 1.264,114 -4.63,115 -4.55,116 -4.28,118 39.6,119 3,123 4,128 1,133 1,134 1,135 3,136 2,137 1,139 1,145 1,149 2,151 1,159 5,161 4,162 7,166 9,168 3,169 4,173 4,175 5,176 10,183 1,184 10,190 2,191 11,198 5,204 5,208 6,211 2,215 6,216 1096,217 17.326,218 17.326,219 17.326,220 17.326,221 17.326,222 15.725,223 21.713,224 9.547,225 17.663,226 14.773,227 14.773,228 14.773,229 14.773,230 14.773,231 11.971,232 25.482,233 4.532,234 15.309,235 4.11,236 2.198,237 1.435,238 1.346,239 1.346,240 1.346,241 4.042,245 1,246 1,247 611,248 4.69,251 54.601,252 121.279,254 93.775,255 102.772,258 2.151,259 33.42,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 59.833,271 297,272 4.716,273 3.855,274 7.13,275 4.354,276 3.403,277 4.405,278 1.674,279 12.374,280 3.242,281 4.376,282 3.72,283 6.522,284 4.105,285 3.137,286 3.88,287 1.2,288 10.309,289 3.103,290 4.246,291 3.223,292 6.398,293 4.078,294 3.103,295 3.472,296 0.293,297 9.964,298 2.949,299 4.068,300 3.142,301 6.348,302 3.788,303 2.803,304 3.175,306 9.646,307 2.747,308 3.757,309 2.995,310 5.928,311 3.407,312 2.431,313 2.991,315 7.916,316 2.376,317 3.652,318 2.857,319 5.595,320 3.281,321 2.312,322 2.884,324 7.175,325 2.222,326 3.386,327 2.5,328 5.235,329 2.977,330 1.999,331 2.517,333 6.343,334 1.938,335 2.962,336 1.765,337 4.264,338 2.276,339 1.317,340 1.834,342 3.457,343 1.256,344 2.745,345 1.499,346 4.091,347 1.962,348 0.999,349 1.483,350 2.822,351 0.952,352 2.467,353 1.173,354 3.831,355 1.911,356 0.93,357 1.375,358 2.467,359 0.903,360 2.412,361 0.833,362 3.375,363 1.651,364 0.661,365 1.145,366 1.639,367 0.653,368 1.788,369 0.749,370 3.228,371 1.338,372 0.348,373 0.463,374 0.831,375 0.34,376 1.137,377 0.702,378 2.986,379 0.724,380 -0.246,381 -0.304,382 -0.68,383 -0.236,384 0.882,385 -0.026,386 2.722,387 0.517,388 -0.447,389 -0.545,390 -1.226,391 -0.421,392 0.678,393 -0.378,394 2.522,395 0.231,396 -0.789,397 -0.989,398 -2.344,399 -0.798,400 13.95,401 0.498,402 1.3,403 0.046,404 34.5,405 1.232,406 15.5,407 0.554,408 19,409 0.679,410 27.397,411 0.978,412 29.85,413 0.563,414 28.541,415 1.019,416 5.987,417 0.214,418 6.885,419 0.246,420 0.299,421 0.125,422 0.308,424 0.814,425 1.385,426 0.874,427 1.337,428 0.643,429 1.05,430 0.721,431 1.309,432 1.15,433 2.04,434 0.449,435 1.181,436 1.105,437 1.126,438 0.986,439 0.681,440 0.905,441 1.051,442 0.767,443 0.639,444 0.55,445 0.448,446 1.059,447 0.545,448 1.695,449 1.208,450 1.18,451 1.051,452 2.115,453 1.08,454 1.236,455 1.041,456 1.108,457 0.837,458 1.148,459 1.015,460 1.022,461 0.95,462 0.949,463 0.842,464 0.679,465 0.955,466 0.864,467 1.131,468 0.926,469 0.882,470 0.955,471 1.068,472 9,473 0.18,474 3.778,475 2.465,476 2.735,477 1.493,478 1.046,479 0.683,480 0.483,481 0.217,482 8429,483 20756,484 1.916,485 47.2,487 15,489 1,492 9,494 1.712,495 1.697,496 3.312,497 -0.742,499 1,502 85.735,503 1.618,504 3.53,505 4.292,506 4.382,507 4.382,508 4.382,509 2.87,510 4.182,511 4.769,512 3.56,513 1345.7,514 8.307,515 17228.7,517 1,519 1,520 303.58,521 1.841,522 4.66,523 0.3,524 0.014,525 0.08,526 0.054,527 0.057,528 0.035,529 0.028,530 0.022,531 0.017,532 0.01,533 0.617,534 0.33,535 1,536 1.514,537 139.209,538 0.003,539 -0.091,540 0.139,541 0.126,542 -0.093,543 0.083,544 0.36,545 0.078,546 0.091,547 -0.161,548 0.22,549 0.085,550 -0.025,551 -0.218,552 -0.199,553 -0.125,554 -0.075,555 -0.244,556 0.203,557 0.211,558 0.354,559 0.192,560 0.08,561 0.324,562 -0.157,563 -0.155,564 -0.21,565 -0.094,566 -0.181,567 -0.172,568 0.005,569 -0.036,570 -0.187,571 -0.03,572 0.078,573 -0.139,574 -0.237,575 0.02,576 -0.044,577 -0.045,578 -0.046,579 -0.04,580 -0.009,581 -0.229,582 -0.015,583 -0.043,584 0.035,585 -0.119,586 2.22,587 5.984,588 0.464,589 30.388,590 0.996,591 1.121,592 3.402,593 11.575,594 0.695,595 3.434,596 3.871,597 4.06,598 4.394,599 4.673,600 4.852,601 5.03,602 5.226,603 5.313,604 5.308,605 6.388,606 0.639,607 395.58,608 3.434,609 5.043,610 5.894,611 6.832,612 7.714,613 8.652,614 9.551,615 10.49,616 11.402,617 12.341,618 5.7,623 1,624 1,626 1,632 4,633 1,637 5,638 1,639 11,642 1,643 1,650 53,652 14,653 1,654 30,656 55,657 21,658 9,659 3,660 3,661 2,663 3,664 6,667 3,673 2,674 11,675 8,676 1,677 2,680 2,683 2,685 1,687 25,688 5,690 7,691 1,692 1,694 3,696 0.333,697 3,708 1,709 2,711 1,712 1,715 2,728 1,732 7,735 28,741 1,744 1,745 1,746 1,747 1,753 2,755 5.7,758 2,760 1,762 16.5,763 12.183,764 5.722,765 3.132,766 2.891,767 1.379,768 1.001,769 5.23,770 10.513,771 3.701,772 4.327,773 4.91,774 5.51,775 6.054,776 6.512,777 6.979,778 7.43,779 7.814,780 8.1,781 1,782 46,783 10.45,784 4.539,785 7.825,786 19.842,787 16.707,788 2.325,789 65.111,791 1,792 1,793 188.338,794 113.175,795 35.47,797 50.29,800 106.402,801 241.692,802 36.45,803 8.825,804 8.852,805 56.857,806 77.97,807 31.313,808 11.771,809 176.567,811 188.338,812 145.453,813 57.643,816 188.338,817 54.454,819 32.144,820 83.927,821 33.816,823 200.109,824 83.099,825 128.737,827 188.338,828 34.329,829 77.058,831 97.742,832 188.338,833 89.637,834 128.737,835 0.616,836 0.316,837 0.168,838 0.098,839 24,840 13,841 0.055,842 3,843 2,844 1.308,845 3.663,846 249.952,847 0.308,848 13,849 125.096,852 20.676,853 7.082,854 4.359,856 84.195,857 7.085,858 4.229,862 2.551,863 1.742,865 414.867,866 39.5,869 25.524,872 -0.758,873 52.785,874 59.414,875 1,876 0.282,877 0.616,878 0.749,879 0.765,880 0.765,881 0.765,882 5.029,883 1.317,884 6.004,885 6.343,886 4.554,887 5.014,888 2.25,889 6.929,890 4.486,891 6.321,892 0.999,893 7.649,894 3.457,895 4.635,896 5.075,897 0.325,898 8.255,899 4.544,900 7.691,901 0.93,902 9.396,903 2.822,904 6.354,905 7.249,906 3.008,907 11.236,908 6.215,909 9.088,910 0.661,911 11.197,912 2.467,913 7.107,914 8.022,915 0.653,916 13.228,917 6.94,918 10.51,919 0.348,920 13.029,921 1.639,922 8.448,923 9.768,924 3.907,925 15.853,926 8.237,927 11.948,928 -0.246,929 14.88,930 0.831,931 9.451,932 10.875,933 1.001,934 18.107,935 9.205,936 13.4,937 -0.447,938 16.745,939 -0.68,940 10.677,941 12.45,942 4.874,943 20.627,944 10.39,945 3.403,946 -0.789,947 18.621,948 -1.226,949 11.782,950 13.729,951 1.37,952 23.001,953 11.455,954 3.137,955 12.374,956 20.505,957 -2.344,958 12.973,959 15.234,960 5.875,961 25.491,962 12.605,963 3.103,964 10.309,965 22.395,966 4.405,967 14.122,968 16.603,969 1.754,970 27.925,971 13.712,972 2.803,973 9.964,974 24.293,975 3.88,976 15.306,977 18.081,978 6.892,979 30.411,980 14.854,981 2.431,982 9.646,983 26.195,984 3.472,985 16.476,986 19.498,987 2.143,988 32.878,989 15.981,990 2.312,991 7.916,992 28.103,993 3.175,994 17.662,995 20.967,996 7.916,997 35.369,998 17.123,999 1.999,1000 7.175,1001 30.015,1002 2.991,1003 18.844,1004 22.41,1005 2.535,1006 37.854,1007 18.261,1008 8576,1009 13683,1010 18.205,1011 36.813,1012 49.551,1013 49.991,1014 48.691,1015 46.896,1016 46.888,1017 59.244,1018 6.334,1019 149.885,1020 45.361,1021 5.613,1022 5.855,1023 6.427,1024 5.427,1025 5.403,1026 7.405,1027 3.349,1028 20.374,1029 5.242,1030 20.574,1031 1.652,1032 1.666,1033 1.623,1034 1.563,1035 1.563,1036 1.975,1037 0.211,1038 4.996,1039 1.512,1040 4.106,1041 4.142,1042 4.181,1043 4.563,1044 7.434,1045 4.042,1046 3.8,1047 3.825,1048 4.058,1049 3.963,1050 7.426,1051 3.917,1052 3.717,1053 3.764,1054 3.717,1055 3.637,1056 4.951,1057 3.647,1058 3.617,1059 3.666,1060 3.554,1061 3.525,1062 4.782,1063 3.52,1064 3.391,1065 3.452,1066 3.319,1067 3.157,1068 4.542,1069 3.187,1070 3.144,1071 3.157,1072 3.091,1073 2.991,1074 4.395,1075 2.993,1076 3.008,1077 3.045,1078 2.905,1079 2.79,1080 4.025,1081 2.806,1082 2.923,1083 3.009,1084 2.768,1085 2.733,1086 3.96,1087 2.752,1088 0.157,1089 0.129,1090 0.238,1091 0.145,1092 0.113,1093 4.716,1094 0.147,1095 3.855,1096 0.056,1097 7.13,1098 0.412,1099 4.354,1100 0.108,1101 3.403,1102 4.405,1103 1.674,1104 12.374,1105 3.242,1106 1.982,1107 1.963,1108 2.032,1109 2.081,1110 1.335,1111 2.065,1112 1.809,1113 1.78,1114 1.947,1115 1.905,1116 1.168,1117 1.915,1118 1.703,1119 1.659,1120 1.79,1121 1.727,1122 1.118,1123 1.786,1124 1.523,1125 1.48,1126 1.685,1127 1.608,1128 0.782,1129 1.696,1130 1.323,1131 1.277,1132 1.424,1133 1.549,1134 0.505,1135 1.528,1136 1.182,1137 1.124,1138 1.417,1139 1.439,1140 0.469,1141 1.426,1142 0.984,1143 0.942,1144 1.417,1145 1.239,1146 0.469,1147 1.308,1148 0.934,1149 0.863,1150 1.417,1151 1.239,1152 0.469,1153 1.308,1154 4.111,1156 5.517,1157 2.398,1158 7.086,1159 4.727,1160 8.738,1161 6.88,1162 10.444,1164 13.531,1171 5.435,1174 1.435,1175 -0.646,1176 -1.516,1178 6.5,1179 33.888,1180 85.735,1181 187.076,1182 227.502,1183 232.256,1184 232.256,1185 232.256,1186 72.956,1187 7.622,1188 65.6,1189 65.6,1190 17,1191 12.842,1192 3.907,1193 3.392,1194 49.673,1195 109,1196 102,1197 0.24,1198 212.781,1199 384.1,1200 510.947,1201 18995,1203 20.853,1204 0.745,1205 0.656,1206 21.103,1207 18.376,1208 12.872,1209 0.429,1210 0.421,1211 9.376,1212 11.652,1213 8.432,1214 7.184,1215 13.799,1216 12.636,1217 14.049,1218 0.299,1219 0.29,1220 15.454,1221 13.635,1222 9.515,1223 0.167,1224 0.086,1225 9.963,1226 4.9,1227 8.243,1228 0.103,1229 0.042,1230 8.562,1231 3.36,1232 6.753,1233 0.064,1234 0.023,1235 7.125,1236 2.46,1237 0.37,1238 88.175,1239 0.234,1240 26.403,1241 0.677,1242 154,1243 439.643,1244 190.964,1245 434.131,1246 593.59,1247 402,1248 181,1249 439.224,1250 222.232,1251 458.572,1252 670.27,1253 424,1254 7.237}
{0 CHEMBL461924,1 1.928,2 9.565,3 3.943,4 15.55,5 95.029,6 10.925,7 0.64,8 3.712,9 3.809,10 3.652,11 3.356,12 4.928,13 3.307,14 4.2,15 4.341,16 4.082,17 3.729,18 5.496,19 3.672,20 4.331,21 4.489,22 4.247,23 3.787,24 5.539,25 3.713,26 4.429,27 4.599,28 3.947,29 3.797,30 5.596,31 3.662,32 4.276,33 4.459,34 3.893,35 3.683,36 5.42,37 3.543,38 4.221,39 4.432,40 4.086,41 3.567,42 5.423,43 3.416,44 3.975,45 4.139,46 3.709,47 3.349,48 5.162,49 3.235,50 3.779,51 3.979,52 3.278,53 3.144,54 4.812,55 3.054,56 0.156,57 0.557,58 2.336,59 3.055,60 4.218,61 3.386,62 0.27,63 0.886,64 10.404,65 5.613,66 40.608,67 6.016,68 0.331,69 1,70 13.63,71 5.998,72 18.116,73 5.828,74 0.425,75 1.021,76 37.878,77 8.357,78 42.62,79 7.853,80 0.306,81 0.904,82 24.645,83 7.701,84 30.27,85 7.755,86 0.414,87 0.847,88 32.507,89 7.697,90 43.997,91 7.393,92 0.252,93 0.651,94 14.882,95 5.645,96 23.499,97 5.046,98 0.174,99 0.528,100 11.132,101 3.728,102 14.729,103 4.319,104 27,105 36,106 0.345,107 0.689,108 0.789,109 0.858,110 0.858,111 0.858,112 3.188,113 1.022,114 -4.41,115 -4.34,116 -4.09,117 1,118 41.7,119 2,124 1,135 4,136 1,137 2,139 2,143 1,144 1,152 1,157 3,159 4,161 1,162 6,166 4,168 1,169 13,173 5,175 1,176 7,180 3,183 1,184 5,187 2,190 2,191 6,195 3,198 5,202 1,203 1,204 2,208 4,210 3,211 1,215 5,216 654,217 15.085,218 15.085,219 15.085,220 15.085,221 15.085,222 12.747,223 15.289,224 8.623,225 15.603,226 12.281,227 12.281,228 12.281,229 12.281,230 12.281,231 8.853,232 20.832,233 4.069,234 13.216,235 3.242,236 1.322,237 0.764,238 0.375,239 0.375,240 0.375,241 3.861,245 1,246 1,247 465,248 2.828,251 130.494,252 78.37,258 1.622,259 23.117,262 1,263 1,264 1,265 0.4,267 1,268 1,269 0.77,270 49.75,271 220,272 4.491,273 3.78,274 6.574,275 4.047,276 3.124,277 4.211,278 2.612,279 10.207,280 2.886,281 4.367,282 3.418,283 6.239,284 3.928,285 2.964,286 4.078,287 0.522,288 9.409,289 2.838,290 4.126,291 2.978,292 5.864,293 3.605,294 2.667,295 3.756,297 8.054,298 2.505,299 3.676,300 2.632,301 5.488,302 3.225,303 2.301,304 3.102,306 7.043,307 2.084,308 3.305,309 2.228,310 5.138,311 2.855,312 1.93,313 2.559,315 5.806,316 1.774,317 3.067,318 1.985,319 4.6,320 2.558,321 1.598,322 2.263,324 4.416,325 1.526,326 2.878,327 1.882,328 4.269,329 2.397,330 1.468,331 2.002,333 3.834,334 1.306,335 2.617,336 1.349,337 3.691,338 2.027,339 1.067,340 1.612,342 2.705,343 1.007,344 2.526,345 1.137,346 3.435,347 2,348 1,349 1.536,350 2.322,351 1,352 2.17,353 1,354 3.276,355 1.477,356 0.677,357 1.008,358 1.668,359 0.531,360 1.363,361 0.969,362 3.011,363 1.057,364 0.26,365 0.277,366 0.599,367 0.157,368 1,369 0.679,370 2.422,371 0.659,372 -0.274,373 -0.324,374 -0.733,375 -0.239,376 0.943,377 0.014,378 2.375,379 0.348,380 -0.63,381 -0.859,382 -1.543,383 -0.61,384 0.8,385 -0.456,386 2.151,387 0.176,388 -0.807,389 -1.091,390 -2,391 -0.786,392 0.64,393 -0.566,394 2,395 0.007,396 -0.947,397 -1.195,398 -2.292,399 -0.857,400 11.933,401 0.519,402 0.72,403 0.031,404 31.5,405 1.37,406 17,407 0.739,408 14.5,409 0.63,410 19.717,411 0.857,412 23.467,413 0.652,414 19.109,415 0.831,416 5.873,417 0.255,418 5.079,419 0.221,420 0.251,422 0.36,424 0.358,425 1.023,426 0.49,427 0.709,428 0.488,429 0.787,430 0.583,431 1.223,432 0.581,433 0.802,434 0.361,435 0.748,436 0.913,437 1.074,438 0.945,439 0.984,440 0.593,441 0.97,442 1.227,443 1.073,444 1.664,445 1.299,446 1.067,447 1.31,448 0.903,449 1.065,450 0.951,451 1.099,452 0.836,453 1.028,454 0.8,455 0.918,456 0.601,457 0.927,458 0.776,459 0.812,460 1.096,461 1.203,462 0.89,463 1.313,464 1.127,465 1.127,466 0.728,467 0.887,468 0.856,469 0.833,470 0.559,471 1.02,472 5.5,473 0.143,474 3.111,475 2.111,476 0.917,477 0.848,478 0.402,479 0.341,480 0.19,481 0.159,482 5621,483 20922,484 2.016,485 36.1,487 6,488 1,491 6,494 1.654,495 1.84,496 3.261,497 -0.643,499 1,502 69.408,503 1.928,504 3.847,505 4.406,506 4.795,507 4.795,508 4.795,509 2.682,510 3.882,511 4.498,512 3.432,513 868.25,514 7.726,515 9990.21,517 1,519 1,520 186.117,521 1.538,522 4.428,523 0.22,524 0.01,525 0.086,526 0.062,527 0.033,528 0.031,529 0.017,530 0.018,531 0.012,532 0.01,533 0.499,534 0.17,535 1,536 0.872,537 108.199,538 0.272,539 0.072,540 0.008,541 0.054,542 -0.001,543 -0.001,544 0.143,545 -0.175,546 0.051,547 0.06,548 0.257,549 0.137,550 -0.114,551 0.019,552 -0.008,553 -0.079,554 -0.004,555 -0.098,556 -0.267,557 -0.098,558 -0.299,559 -0.249,560 -0.159,561 -0.336,562 -0.059,563 -0.073,564 -0.069,565 -0.024,566 -0.02,567 -0.003,568 0.127,569 0.102,570 0.182,571 0.189,572 0.112,573 0.25,574 -0.116,575 -0.186,576 -0.039,577 -0.216,578 -0.104,579 -0.134,580 -0.026,581 0.058,582 -0.051,583 -0.048,584 -0.023,585 -0.066,586 2.399,587 3.874,588 0.696,589 18.491,590 1.022,591 1.118,592 3.18,593 10.115,594 0.743,595 3.258,596 3.611,597 3.871,598 4.078,599 4.19,600 4.22,601 4.331,602 4.407,603 4.489,604 4.511,605 5.931,606 0.704,607 393.29,608 3.258,609 4.812,610 5.666,611 6.547,612 7.418,613 8.299,614 9.174,615 10.056,616 10.934,617 11.815,618 11.1,624 1,626 2,627 1,632 5,633 2,636 1,637 7,638 1,639 16,645 1,649 1,650 36,652 18,653 1,654 25,655 1,656 38,657 15,658 12,659 2,660 4,663 3,664 3,667 2,674 12,675 3,677 2,678 1,680 2,685 1,687 13,688 4,690 8,691 2,694 4,696 1,697 2,700 1,708 2,709 1,728 3,730 1,731 1,732 2,735 23,739 1,749 1,754 1,755 5.6,761 2,762 12.5,763 7.36,764 4.972,765 2.041,766 3.111,767 1.449,768 0.986,769 4.599,770 10.037,771 3.584,772 4.248,773 4.808,774 5.355,775 5.714,776 5.981,777 6.417,778 6.753,779 7.12,780 7.387,781 1,782 34,783 8.445,784 3.569,785 7.924,786 15.855,787 12.785,788 2.424,789 55.75,793 153.024,794 114.785,795 86.849,797 50.747,799 31.278,800 129.462,801 203.771,802 40.895,803 23.32,804 2.106,805 45.554,806 34.378,807 16.287,808 14.528,809 172.531,810 96.701,811 153.024,812 124.403,813 50.747,814 31.278,815 45.954,816 153.024,818 50.747,819 27.976,820 57.308,821 39.119,822 77.232,823 153.024,824 91.642,825 160.739,827 153.024,828 51.581,829 70.651,830 45.954,831 84.195,832 153.024,833 91.642,834 160.739,835 0.597,836 0.353,837 0.173,838 0.087,839 18,840 9,841 0.105,842 4,844 1,845 3.489,846 180.89,848 16,849 102.042,850 1,852 16.28,853 6.498,854 3.357,856 84.195,857 8.425,858 9.048,861 1.52,862 5.468,863 1.898,865 405.406,866 35,867 -0.399,869 21.749,873 36.785,874 40.25,876 0.373,877 0.744,878 0.852,879 0.927,880 0.927,881 0.927,882 4.82,883 1.067,884 5.68,885 3.834,886 4.29,887 4.934,888 2.545,889 6.503,890 4.151,891 6.068,892 1,893 7.261,894 2.705,895 4.007,896 4.89,897 2.361,898 7.409,899 3.794,900 7.401,901 0.677,902 8.936,903 2.322,904 5.911,905 7.191,906 4.157,907 10.485,908 5.651,909 8.768,910 0.26,911 10.663,912 1.668,913 6.415,914 7.945,915 4.506,916 12.176,917 6.067,918 10.164,919 -0.274,920 12.423,921 0.599,922 7.823,923 9.725,924 5.948,925 14.763,926 7.439,927 11.579,928 -0.63,929 14.203,930 -0.733,931 8.665,932 10.83,933 6.556,934 16.785,935 8.195,936 13.009,937 -0.807,938 15.999,939 -1.543,940 9.888,941 12.402,942 7.794,943 19.193,944 9.376,945 3.124,946 -0.947,947 17.807,948 -2,949 10.879,950 13.67,951 8.548,952 21.364,953 10.286,954 2.964,955 10.207,956 19.624,957 -2.292,958 12.031,959 15.154,960 9.67,961 23.704,962 11.387,963 2.667,964 9.409,965 21.448,966 4.211,967 13.089,968 16.498,969 10.509,970 25.943,971 12.369,972 2.301,973 8.054,974 23.278,975 4.078,976 14.216,977 17.943,978 11.563,979 28.258,980 13.437,981 1.93,982 7.043,983 25.114,984 3.756,985 15.305,986 19.324,987 12.452,988 30.53,989 14.452,990 1.598,991 5.806,992 26.954,993 3.102,994 16.423,995 20.754,996 13.468,997 32.837,998 15.507,999 1.468,1000 4.416,1001 28.798,1002 2.559,1003 17.527,1004 22.153,1005 14.386,1006 35.126,1007 16.539,1008 5547,1009 10837,1010 16.126,1011 26.739,1012 38.448,1013 40.086,1014 39.809,1015 38.023,1016 38.113,1017 52.81,1018 6.268,1019 112.126,1020 35.229,1021 5.277,1022 5.78,1023 6.119,1024 5.158,1025 5.124,1026 7.211,1027 4.612,1028 17.145,1029 4.886,1030 13.636,1031 1.538,1032 1.603,1033 1.592,1034 1.521,1035 1.525,1036 2.112,1037 0.251,1038 4.485,1039 1.409,1040 4.049,1041 4.082,1042 6.881,1043 3.973,1044 7.815,1045 3.952,1046 3.954,1047 3.995,1048 4.241,1049 3.823,1050 6.999,1051 3.826,1052 3.73,1053 3.748,1054 3.914,1055 3.675,1056 4.949,1057 3.618,1058 3.437,1059 3.46,1060 3.789,1061 3.063,1062 4.825,1063 3.133,1064 3.207,1065 3.301,1066 3.439,1067 3.015,1068 4.56,1069 3.007,1070 3.049,1071 3.139,1072 2.994,1073 2.881,1074 3.895,1075 2.866,1076 2.784,1077 2.86,1078 2.845,1079 2.672,1080 3.776,1081 2.627,1082 2.68,1083 2.761,1084 2.771,1085 2.585,1086 3.602,1087 2.473,1088 0.18,1089 0.151,1090 0.263,1091 0.162,1092 0.125,1093 4.491,1094 0.168,1095 3.78,1096 0.104,1097 6.574,1098 0.408,1099 4.047,1100 0.115,1101 3.124,1102 4.211,1103 2.612,1104 10.207,1105 2.886,1106 1.93,1107 1.907,1108 2.017,1109 2.082,1110 1.113,1111 2.047,1112 1.663,1113 1.623,1114 1.798,1115 1.864,1116 1.028,1117 1.848,1118 1.547,1119 1.499,1120 1.724,1121 1.703,1122 0.866,1123 1.727,1124 1.359,1125 1.341,1126 1.522,1127 1.687,1128 0.676,1129 1.593,1130 1.265,1131 1.212,1132 1.395,1133 1.443,1134 0.538,1135 1.485,1136 1.13,1137 1.092,1138 1.26,1139 1.345,1140 0.213,1141 1.373,1142 0.8,1143 0.733,1144 0.975,1145 1.009,1146 0.135,1147 1.039,1148 0.674,1149 0.594,1150 0.817,1151 0.906,1152 0.088,1153 0.923,1154 3.932,1156 5.273,1157 3.045,1158 6.786,1159 5.416,1160 8.37,1161 7.486,1162 9.993,1163 3.513,1164 3.948,1169 0.581,1179 25.362,1180 69.408,1181 138.508,1182 158.608,1183 172.608,1184 172.608,1185 172.608,1186 38.123,1187 6.927,1188 76.53,1189 104.77,1190 16,1191 12.351,1192 4.248,1193 3.459,1194 36.987,1195 84,1196 65,1197 0.224,1198 167.271,1199 276.53,1200 399.9,1201 8700,1202 2.8,1203 16.56,1204 0.72,1205 0.647,1206 17.914,1207 14.888,1208 10.952,1209 0.438,1210 0.341,1211 6.87,1212 9.515,1213 6.505,1214 5.403,1215 11.984,1216 8.514,1217 10.297,1218 0.286,1219 0.189,1220 11.541,1221 6.812,1222 8.728,1223 0.186,1224 0.116,1225 10.462,1226 5.464,1227 6.65,1228 0.115,1229 0.057,1230 7.792,1231 3.32,1232 4.901,1233 0.075,1234 0.033,1235 5.849,1236 2.133,1237 0.352,1238 81.917,1239 0.249,1240 22.603,1241 0.611,1242 122,1243 411.566,1244 223.408,1245 455.35,1246 602.87,1247 420,1248 144,1249 410.481,1250 217.833,1251 435.964,1252 630.61,1253 407,1254 5}
{0 CHEMBL461925,1 1.692,2 7.789,3 4.305,4 18.535,5 81.301,6 9.923,7 0.762,8 3.485,9 3.563,10 3.356,11 3.263,12 4.702,13 3.196,14 3.925,15 4.011,16 3.787,17 3.669,18 5.123,19 3.575,20 4.149,21 4.274,22 3.887,23 3.725,24 5.4,25 3.616,26 4.129,27 4.267,28 3.636,29 3.588,30 5.464,31 3.46,32 3.945,33 4.097,34 3.415,35 3.376,36 5.235,37 3.268,38 3.859,39 4.015,40 3.364,41 3.281,42 5.219,43 3.182,44 3.732,45 3.932,46 3.218,47 3.155,48 4.801,49 3,50 3.557,51 3.789,52 2.886,53 2.905,54 4.576,55 2.728,56 0.033,57 0.33,58 3.176,59 2.136,60 7.088,61 2.459,62 0.031,63 0.503,64 5.789,65 3.796,66 7.599,67 4.525,68 0.125,69 0.687,70 14.457,71 5.806,72 16.424,73 6.3,74 0.203,75 0.706,76 17.066,77 6.307,78 37.704,79 6.171,80 0.166,81 0.603,82 12.584,83 5.124,84 32.201,85 4.814,86 0.202,87 0.539,88 10.903,89 4.355,90 34.222,91 4.367,92 0.121,93 0.464,94 11.531,95 3.927,96 21.096,97 4.576,98 0.09,99 0.372,100 8.37,101 3.417,102 14.059,103 4.645,104 10,105 30,106 0.318,107 0.589,108 0.705,109 0.835,110 0.848,111 0.848,112 3.011,113 0.99,114 -5.67,115 -5.54,116 -5.17,118 51.7,135 8,136 2,137 2,144 2,148 1,154 1,155 1,156 1,159 8,162 1,165 1,166 12,167 1,169 3,172 2,173 9,174 2,176 3,177 1,178 1,179 3,180 5,182 3,184 2,186 3,187 6,189 3,191 3,194 2,195 8,196 2,202 9,207 1,208 5,209 1,215 2,216 400,217 12.776,218 12.776,219 12.776,220 12.776,221 12.776,222 10.761,223 6.055,224 7.414,225 13.053,226 10.323,227 10.323,228 10.323,229 10.323,230 10.323,231 7.311,232 4.578,233 3.504,234 10.867,235 3.166,236 1.724,237 1.103,238 0.414,239 0.345,240 0.345,241 3.686,243 1,245 1,246 1,247 321,248 2.449,251 36.425,252 105.327,254 71.97,258 1.191,259 18.439,262 0.75,263 1,264 1,265 0.4,267 1,268 1,269 0.74,270 39.833,271 148,272 4.663,273 3.629,274 6.829,275 4.201,276 3.243,277 4.594,279 11.217,280 3.111,281 4.182,282 3.056,283 6.207,284 3.772,285 2.776,286 3.787,288 9.048,289 2.757,290 3.754,291 2.899,292 5.422,293 3.268,294 2.345,295 3.221,297 6.663,298 2.136,299 3.388,300 2.089,301 5.012,302 2.925,303 1.982,304 2.728,306 5.785,307 1.818,308 3.137,309 1.953,310 4.807,311 2.587,312 1.68,313 2.426,315 5.009,316 1.487,317 2.882,318 1.64,319 3.911,320 2.377,321 1.393,322 2.048,324 3.082,325 1.352,326 2.5,327 1.313,328 3.585,329 2,330 1,331 1.5,333 2.361,334 1,335 2.478,336 1,337 3.414,338 1.95,339 0.942,340 1.358,342 2.275,343 0.93,344 2.094,345 0.817,346 3.285,347 1.513,348 0.595,349 0.873,350 1.471,351 0.523,352 1.115,353 0.446,354 2.515,355 0.615,356 -0.244,357 -0.307,358 -0.53,359 -0.167,360 0.926,361 -0.187,362 2.196,363 0.472,364 -0.468,365 -0.621,366 -1.075,367 -0.416,368 0.657,369 -0.642,370 2,371 0.163,372 -0.823,373 -1.21,374 -2.018,375 -0.807,376 0.5,377 -0.824,378 2,380 -1,381 -1.5,382 -2.926,383 -0.967,384 0.338,385 -1,386 1.815,387 -0.161,388 -1.124,389 -1.545,390 -3,391 -1,392 0.037,393 -1.073,394 1.578,395 -0.381,396 -1.233,397 -1.644,398 -3.118,399 -1.07,400 9.781,401 0.515,402 0.507,403 0.027,404 27.25,405 1.434,406 16,407 0.842,408 11.25,409 0.592,410 12.538,411 0.66,412 18.419,413 0.635,414 17.073,415 0.899,416 5.297,417 0.279,418 3.868,419 0.204,420 0.148,422 0.358,424 0.632,425 0.68,426 0.589,427 0.598,428 0.686,429 0.632,430 0.582,431 0.909,432 0.685,433 0.801,434 0.596,435 0.808,436 0.888,437 1.159,438 1.013,439 1.147,440 0.887,441 0.995,442 1.303,443 1.21,444 1.31,445 1.346,446 1.373,447 1.183,448 1.513,449 1.095,450 1.023,451 1.082,452 1.762,453 0.99,454 1.132,455 1.045,456 0.937,457 1.049,458 1.304,459 1.034,460 0.83,461 0.936,462 0.586,463 0.74,464 0.944,465 1.016,466 0.354,467 0.97,468 0.727,469 0.867,470 0.265,471 1.096,472 3.5,473 0.02,474 2.667,475 1.889,476 1.089,477 0.656,478 0.334,479 0.124,480 0.11,481 0.047,482 3152,483 10552,484 2.081,485 34.5,487 8,490 2,494 1.604,495 1.932,496 2.977,497 0.341,499 1,502 49.059,503 1.692,504 3.134,505 3.755,506 4.444,507 4.513,508 4.513,509 2.465,510 3.827,511 4.22,512 3.062,513 523.629,514 7.194,515 4992.48,517 1,519 1,520 140.881,521 1.462,522 4.171,523 0.167,524 0.01,525 0.089,526 0.063,527 0.045,528 0.033,529 0.019,530 0.01,531 0.012,532 0.012,533 0.459,534 0.67,535 0.88,536 0.644,537 81.172,538 -0.085,539 0.247,540 0.007,541 0.147,542 -0.137,543 0.108,544 0.004,545 -0.03,546 0.048,547 0.043,548 -0.017,549 0.003,550 0.023,551 -0.2,552 -0.017,553 -0.153,554 0.017,555 -0.076,556 -0.09,557 -0.18,558 -0.272,559 -0.261,560 -0.005,561 -0.238,562 -0.252,563 -0.033,564 -0.146,565 -0.036,566 -0.215,567 -0.045,568 0.045,569 -0.014,570 -0.078,571 -0.102,572 0.036,573 -0.101,574 -0.033,575 0.027,576 0.217,577 0.151,578 -0.146,579 0.011,580 0.278,581 -0.076,582 0.217,583 0.035,584 0.165,585 0.038,586 1.727,587 5.435,588 0.789,589 11.845,590 1.009,591 1.091,592 4.445,593 19.756,594 0.785,595 3.091,596 3.434,597 3.738,598 3.989,599 4.19,600 4.205,601 4.248,602 4.29,603 4.19,604 4.159,605 4.639,606 0.737,607 287.78,608 3.091,609 4.635,610 5.501,611 6.389,612 7.274,613 8.169,614 9.062,615 9.96,616 10.857,617 11.757,618 3.4,620 1,631 2,632 8,636 1,637 4,639 16,641 1,644 1,649 1,650 29,652 17,653 2,654 21,656 31,657 15,658 14,659 4,660 8,661 1,663 3,664 4,665 1,674 15,677 1,680 1,683 1,685 1,687 10,688 2,689 2,690 4,691 2,694 1,696 0.667,697 1,708 1,709 2,711 1,728 2,730 1,733 1,735 19,736 1,750 1,754 1,755 3.4,758 1,762 9.833,763 5.226,764 4.139,765 1.612,766 3.087,767 1.469,768 1.044,769 3.19,770 9.662,771 3.434,772 4.107,773 4.774,774 5.388,775 5.923,776 6.21,777 6.564,778 6.928,779 7.051,780 7.344,781 1,782 30,783 6.999,784 3.042,785 7.848,786 13.189,787 10.993,788 2.348,789 44.611,790 0.001,793 94.169,794 126.341,795 32.897,796 39.149,797 25.145,799 31.278,800 95.064,801 158.462,802 32.897,805 108.707,806 30.278,807 12.016,808 2.104,809 125.447,810 39.149,811 94.169,812 127.961,813 25.145,814 70.426,816 94.169,817 25.145,820 127.961,821 39.149,822 31.278,823 94.169,824 58.042,825 165.49,827 94.169,828 50.531,829 75.81,831 97.191,832 94.169,833 58.042,834 165.49,835 0.59,836 0.355,837 0.189,838 0.103,839 16,840 7,841 0.065,842 2,843 1,844 1.133,845 3.115,846 143.52,847 0.133,848 15,849 76.711,850 1,852 12.486,853 4.854,854 2.209,855 1.96,856 58.042,857 14.602,861 1.424,862 2.354,864 32.897,865 317.701,866 30,869 12.435,872 -0.06,873 29.247,874 31.648,876 0.348,877 0.645,878 0.773,879 0.915,880 0.929,881 0.929,882 4.654,883 0.942,884 5.501,885 2.361,886 4.111,887 4.792,889 6.344,890 4.018,891 5.897,892 0.595,893 7.086,894 2.275,895 3.761,896 4.677,898 7.314,899 3.595,900 7.226,901 -0.244,902 8.774,903 1.471,904 5.733,905 7.101,907 10.446,908 5.574,909 8.597,910 -0.468,911 10.521,912 -0.53,913 6.217,914 7.84,916 12.258,917 5.999,918 10,919 -0.823,920 12.307,921 -1.075,922 7.676,923 9.725,925 14.919,926 7.458,927 11.429,928 -1,929 14.12,930 -2.018,931 8.534,932 10.87,934 17.072,935 8.264,936 12.878,937 -1.124,938 15.953,939 -2.926,940 9.798,941 12.534,943 19.573,944 9.515,945 3.243,946 -1.233,947 17.801,948 -3,949 10.826,950 13.876,952 21.869,953 10.493,954 2.776,955 11.217,956 19.661,957 -3.118,958 12.019,959 15.449,961 24.313,962 11.661,963 2.345,964 9.048,965 21.53,966 4.594,967 13.122,968 16.884,970 26.672,971 12.717,972 1.982,973 6.663,974 23.406,975 3.787,976 14.292,977 18.421,979 29.094,980 13.853,981 1.68,982 5.785,983 25.289,984 3.221,985 15.429,986 19.901,988 31.482,989 14.944,990 1.393,991 5.009,992 27.177,993 2.728,994 16.594,995 21.426,997 33.897,998 16.069,999 1,1000 3.082,1001 29.069,1002 2.426,1003 17.747,1004 22.927,1006 36.299,1007 17.177,1008 3086,1009 5736,1010 13.929,1011 22.773,1012 32.443,1013 33.533,1014 33.517,1015 32.128,1016 31.913,1017 45.073,1019 93.82,1020 30.229,1021 5.432,1022 5.629,1023 6.51,1024 5.31,1025 5.243,1026 7.594,1028 18.739,1029 5.111,1030 8.716,1031 1.545,1032 1.597,1033 1.596,1034 1.53,1035 1.52,1036 2.146,1038 4.468,1039 1.439,1040 4.098,1041 4.102,1042 4.345,1043 4.119,1044 7.427,1045 4.07,1046 3.889,1047 3.908,1048 3.987,1049 3.845,1050 5.114,1051 3.836,1052 3.449,1053 3.476,1054 3.534,1055 3.388,1056 4.929,1057 3.361,1058 3.092,1059 3.125,1060 3.34,1061 2.953,1062 4.684,1063 2.953,1064 2.923,1065 2.959,1066 3.039,1067 2.877,1068 4.279,1069 2.823,1070 2.854,1071 2.925,1072 2.814,1073 2.735,1074 3.937,1075 2.715,1076 2.681,1077 2.799,1078 2.687,1079 2.411,1080 3.674,1081 2.41,1082 2.55,1083 2.562,1084 2.5,1085 2.354,1086 3.651,1087 2.346,1088 0.222,1089 0.173,1090 0.325,1091 0.2,1092 0.154,1093 4.663,1094 0.219,1095 3.629,1097 6.829,1098 0.534,1099 4.201,1100 0.148,1101 3.243,1102 4.594,1104 11.217,1105 3.111,1106 1.923,1107 1.905,1108 2.008,1109 1.99,1110 1.137,1111 1.999,1112 1.902,1113 1.888,1114 1.975,1115 1.959,1116 1.086,1117 1.978,1118 1.493,1119 1.495,1120 1.51,1121 1.596,1122 0.676,1123 1.605,1124 1.032,1125 0.998,1126 1.181,1127 1.25,1128 0.271,1129 1.237,1130 0.925,1131 0.912,1132 1.138,1133 1.062,1134 0.218,1135 1.107,1136 0.886,1137 0.821,1138 1.113,1139 1.035,1140 0.181,1141 1.08,1142 0.715,1143 0.656,1144 0.94,1145 0.905,1146 0.016,1147 0.953,1148 0.483,1149 0.384,1150 0.737,1151 0.726,1153 0.767,1154 3.761,1156 5.094,1157 2.398,1158 6.629,1159 4.844,1160 8.25,1161 7.034,1162 9.913,1165 5.824,1167 6.071,1179 21.385,1180 49.059,1181 90.881,1182 108.881,1183 128.881,1184 130.881,1185 130.881,1186 29.527,1187 6.575,1188 43.09,1189 71.33,1190 17,1191 12.28,1192 4.17,1193 3.322,1194 27.773,1195 52,1196 56,1197 0.27,1198 139.311,1199 230.67,1200 331.678,1201 5279,1202 3.4,1203 13.405,1204 0.706,1205 0.603,1206 14.259,1207 11.463,1208 9.165,1209 0.436,1210 0.33,1211 5.817,1212 8.322,1213 5.571,1214 4.597,1215 9.862,1216 6.933,1217 8.346,1218 0.278,1219 0.189,1220 9.37,1221 5.666,1222 7.373,1223 0.18,1224 0.107,1225 8.574,1226 4.384,1227 5.958,1228 0.112,1229 0.06,1230 7.082,1231 3.177,1232 4.728,1233 0.073,1234 0.034,1235 5.784,1236 2.196,1237 0.407,1238 63.112,1239 0.268,1240 18.721,1241 0.785,1242 102,1243 288.112,1244 146.273,1245 338.434,1246 453.1,1247 314,1248 122,1249 293.087,1250 161.137,1251 327.288,1252 482.3,1253 309,1254 6}
{0 CHEMBL471115,1 1.598,2 8.81,3 3.767,4 14.193,5 82.86,6 7.79,7 0.478,8 3.757,9 3.88,10 3.372,11 3.316,12 4.802,13 3.281,14 4.319,15 4.511,16 3.769,17 3.726,18 5.31,19 3.668,20 4.549,21 4.762,22 3.874,23 3.861,24 5.562,25 3.787,26 4.611,27 4.828,28 3.844,29 3.855,30 5.682,31 3.785,32 4.568,33 4.794,34 3.764,35 3.76,36 5.693,37 3.659,38 4.457,39 4.722,40 3.435,41 3.608,42 5.358,43 3.451,44 4.264,45 4.511,46 3.202,47 3.431,48 5.185,49 3.253,50 4.098,51 4.38,52 2.797,53 3.212,54 4.88,55 3.016,56 0.002,57 0.575,58 7.68,59 3.464,60 4.29,61 4.707,62 0.187,63 0.939,64 16.099,65 6.002,66 13.423,67 8.36,68 0.154,69 1.098,70 23.149,71 7.923,72 22.121,73 10.919,74 0.322,75 1.152,76 24.11,77 7.457,78 35.016,79 10.279,80 0.397,81 1.066,82 24.05,83 7.364,84 49.195,85 10.394,86 0.24,87 0.894,88 22.287,89 7.232,90 34.163,91 10.081,92 0.255,93 0.708,94 21.83,95 6.176,96 30.94,97 8.459,98 0.155,99 0.61,100 15.138,101 5.297,102 20.175,103 7.474,104 21,105 33,106 0.287,107 0.623,108 0.803,109 0.868,110 0.868,111 0.868,112 3.105,113 0.998,114 -4.62,115 -4.54,116 -4.27,118 41,119 1,120 4,123 1,135 3,136 1,137 2,139 1,145 1,149 1,151 1,159 6,161 3,162 5,166 7,168 1,169 7,173 6,175 1,176 7,180 1,183 1,184 11,187 2,191 4,195 4,198 4,202 4,204 1,208 5,211 1,215 5,216 513,217 14.198,218 14.198,219 14.198,220 14.198,221 14.198,222 12.82,223 15.824,224 8.389,225 14.563,226 11.288,227 11.288,228 11.288,229 11.288,230 11.288,231 9.041,232 15.085,233 3.924,234 11.923,235 3.688,236 1.816,237 0.815,238 0.449,239 0.449,240 0.449,241 3.781,243 1,244 1,245 1,246 1,247 392,248 2.828,251 34.108,252 80.479,254 60.237,255 68.11,258 1.438,259 18.257,260 1,261 1,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 44.833,271 185,272 4.691,273 3.806,274 7.094,275 4.328,276 3.378,277 4.374,278 1.2,279 12.236,280 3.215,281 4.136,282 3.142,283 6.308,284 3.718,285 2.75,286 3.755,287 0.293,288 9.414,289 2.654,290 3.708,291 2.966,292 5.928,293 3.365,294 2.412,295 2.987,297 7.913,298 2.287,299 3.503,300 2.615,301 5.157,302 3.071,303 2.175,304 2.801,306 6.144,307 1.915,308 3.027,309 2.137,310 4.887,311 2.784,312 1.828,313 2.141,315 5.268,316 1.697,317 2.697,318 1.666,319 4.1,320 2.5,321 1.527,322 1.756,324 3.249,325 1.476,326 2.555,327 1.534,328 3.961,329 2.153,330 1.195,331 1.563,333 2.941,334 1.131,335 2.465,336 1.216,337 3.596,338 1.914,339 0.94,340 1.387,342 2.477,343 0.907,344 1.864,345 0.846,346 3.229,347 1.672,348 0.689,349 0.744,350 1.246,351 0.673,352 1.703,353 0.704,354 2.952,355 1.346,356 0.355,357 0.467,358 0.823,359 0.347,360 1.203,361 0.378,362 2.615,363 0.844,364 -0.068,365 -0.079,366 -0.151,367 -0.053,368 0.791,369 -0.092,370 2.362,371 0.602,372 -0.337,373 -0.38,374 -0.634,375 -0.297,376 0.688,377 -0.311,378 2,379 0.21,380 -0.771,381 -0.939,382 -1.949,383 -0.658,384 0.287,385 -0.682,386 2,387 0.032,388 -0.895,389 -1.104,390 -2.263,391 -0.85,392 0.076,393 -0.842,394 1.898,395 -0.302,396 -1.194,397 -1.414,398 -2.878,399 -1.023,400 10.248,401 0.488,402 0.542,403 0.026,404 26,405 1.238,406 12,407 0.571,408 14,409 0.667,410 17.917,411 0.853,412 22.752,413 0.583,414 16.94,415 0.807,416 4.681,417 0.223,418 5.449,419 0.259,420 0.2,422 0.371,424 0.652,425 1.521,426 0.624,427 1.072,428 0.517,429 0.981,430 0.642,431 1.012,432 0.634,433 0.813,434 0.505,435 0.816,436 0.852,437 1.148,438 0.801,439 0.968,440 0.757,441 0.88,442 1.345,443 1.022,444 0.865,445 0.837,446 1.378,447 0.876,448 0.859,449 1.105,450 0.826,451 1.089,452 0.946,453 1.082,454 1.087,455 0.903,456 0.855,457 0.845,458 1.143,459 0.939,460 1.197,461 0.944,462 1.454,463 1.191,464 1.112,465 1.194,466 0.838,467 0.827,468 0.782,469 0.92,470 0.918,471 1.027,472 3.5,473 0.037,474 2.667,475 1.813,476 1.93,477 0.869,478 0.404,479 0.262,480 0.115,481 0.061,482 3816,483 9986,484 2.045,485 46.2,486 9,487 6,489 1,491 2,494 1.636,495 1.881,496 3.052,497 -0.75,499 1,501 1,502 62.317,503 1.598,504 3.47,505 4.471,506 4.836,507 4.836,508 4.836,509 2.661,510 4.297,511 4.352,512 3.167,513 665.127,514 7.485,515 6714.49,516 1,517 1,518 1,519 1,520 206.131,521 1.51,522 4.305,523 0.152,524 0.009,525 0.081,526 0.05,527 0.057,528 0.032,529 0.021,530 0.019,531 0.011,532 0.009,533 0.442,534 0.33,535 1,536 1.501,537 92.839,538 -0.002,539 -0.314,540 0.036,541 -0.104,542 -0.009,543 -0.034,544 0.153,545 0.12,546 0.122,547 0.123,548 0.087,549 0.123,550 0.041,551 -0.118,552 0.091,553 -0.001,554 0.08,555 0.088,556 -0.142,557 0.042,558 -0.03,559 0.068,560 -0.083,561 0.032,562 0.197,563 -0.075,564 0.017,565 -0.17,566 0.168,567 -0.152,568 -0.122,569 0.034,570 0.039,571 0.104,572 -0.101,573 0.033,574 -0.139,575 -0.019,576 -0.238,577 -0.18,578 -0.139,579 -0.204,580 -0.071,581 0.071,582 -0.01,583 0.031,584 -0.066,585 -0.031,586 1.697,587 5.538,588 0.619,589 16.34,590 1.001,591 1.127,592 3.387,593 11.47,594 0.677,595 3.178,596 3.526,597 3.871,598 4.205,599 4.477,600 4.625,601 4.736,602 4.852,603 4.836,604 4.673,605 4.909,606 0.636,607 303.82,608 3.178,609 4.727,610 5.609,611 6.521,612 7.433,613 8.358,614 9.282,615 10.213,616 11.142,617 12.076,618 7.7,623 1,624 1,626 1,632 4,633 1,637 5,638 1,639 11,642 1,649 1,650 39,652 12,653 1,654 23,656 41,657 16,658 9,659 3,660 3,661 1,663 3,664 6,665 1,667 1,672 4,674 10,675 6,677 1,680 1,683 1,685 1,687 18,688 3,690 5,691 1,692 1,694 3,696 0.333,697 1,708 1,709 2,711 1,712 1,728 1,732 2,733 1,735 21,739 4,744 1,754 1,755 2.6,758 1,762 11.167,763 7.743,764 4.694,765 2.668,766 2.333,767 1.331,768 0.984,769 3.939,770 9.37,771 3.418,772 4.021,773 4.66,774 5.282,775 5.797,776 6.166,777 6.554,778 6.892,779 7.166,780 7.255,781 1,782 36,783 7.779,784 3.304,785 7.696,786 15.019,787 12.422,788 2.196,789 46.111,790 0.001,793 211.88,794 83.639,795 21.809,796 39.149,797 25.145,800 83.639,801 276.173,802 21.809,803 17.222,804 13.262,805 28.429,806 67.025,807 16.427,809 200.109,810 39.149,811 211.88,812 105.448,813 25.145,814 39.149,816 211.88,817 25.145,819 37.69,820 50.973,821 55.934,823 211.88,824 46.954,825 122.788,827 211.88,828 29.37,829 59.292,831 81.079,832 211.88,833 46.954,834 122.788,835 0.579,836 0.351,837 0.199,838 0.116,839 17,840 8,841 0.098,842 4,843 2,844 1.308,845 3.216,846 168.58,847 0.308,848 13,849 92.239,852 14.456,853 5.722,854 2.439,856 45.055,857 7.199,858 4.512,862 3.912,863 1.98,865 381.622,866 29.5,869 12.538,872 -0.03,873 39.025,874 43.97,876 0.302,877 0.656,878 0.846,879 0.915,880 0.915,881 0.915,882 4.67,883 0.94,884 5.617,885 2.941,886 4.205,887 4.705,888 1.356,889 6.509,890 4.1,891 5.886,892 0.689,893 7.226,894 2.477,895 3.892,896 4.605,897 0.325,898 7.579,899 3.696,900 7.214,901 0.355,902 8.943,903 1.246,904 5.861,905 6.922,906 1.511,907 10.765,908 5.661,909 8.584,910 -0.068,911 10.722,912 0.823,913 6.399,914 7.676,915 0.653,916 12.675,917 6.125,918 9.992,919 -0.337,920 12.541,921 -0.151,922 7.854,923 9.468,924 1.739,925 15.402,926 7.561,927 11.425,928 -0.771,929 14.388,930 -0.634,931 8.77,932 10.6,933 1.001,934 17.651,935 8.417,936 12.879,937 -0.895,938 16.254,939 -1.949,940 10.048,941 12.193,942 1.993,943 20.227,944 9.662,945 3.378,946 -1.194,947 18.136,948 -2.263,949 11.132,950 13.5,951 1.37,952 22.62,953 10.69,954 2.75,955 12.236,956 20.03,957 -2.878,958 12.354,959 15.013,960 2.264,961 25.145,962 11.871,963 2.412,964 9.414,965 21.933,966 4.374,967 13.509,968 16.402,969 1.754,970 27.599,971 12.973,972 2.175,973 7.913,974 23.844,975 3.755,976 14.716,977 17.885,978 2.551,979 30.107,980 14.134,981 1.828,982 6.144,983 25.762,984 2.987,985 15.903,986 19.313,987 2.143,988 32.588,989 15.269,990 1.527,991 5.268,992 27.685,993 2.801,994 17.11,995 20.785,996 2.851,997 35.091,998 16.427,999 1.195,1000 3.249,1001 29.613,1002 2.141,1003 18.31,1004 22.233,1005 2.535,1006 37.584,1007 17.576,1008 3853,1009 6413,1010 15.027,1011 26.421,1012 35.048,1013 36.052,1014 37.032,1015 34.747,1016 34.498,1017 43.949,1018 2.986,1019 103.42,1020 32.608,1021 5.586,1022 5.806,1023 7.003,1024 5.401,1025 5.378,1026 7.374,1027 2.293,1028 20.236,1029 5.215,1030 11.08,1031 1.524,1032 1.567,1033 1.61,1034 1.511,1035 1.5,1036 1.911,1037 0.13,1038 4.497,1039 1.418,1040 4.1,1041 4.141,1042 4.112,1043 3.971,1044 7.428,1045 3.988,1046 3.77,1047 3.814,1048 3.839,1049 3.673,1050 4.987,1051 3.669,1052 3.633,1053 3.694,1054 3.516,1055 3.489,1056 4.831,1057 3.481,1058 3.391,1059 3.457,1060 3.36,1061 3.164,1062 4.237,1063 3.181,1064 3.243,1065 3.333,1066 3.183,1067 3.047,1068 4.154,1069 3.039,1070 2.988,1071 3.041,1072 2.992,1073 2.806,1074 4.004,1075 2.792,1076 2.851,1077 2.921,1078 2.776,1079 2.735,1080 3.759,1081 2.715,1082 2.71,1083 2.799,1084 2.481,1085 2.5,1086 3.58,1087 2.471,1088 0.204,1089 0.165,1090 0.308,1091 0.188,1092 0.147,1093 4.691,1094 0.19,1095 3.806,1096 0.052,1097 7.094,1098 0.532,1099 4.328,1100 0.14,1101 3.378,1102 4.374,1103 1.2,1104 12.236,1105 3.215,1106 1.953,1107 1.931,1108 2.024,1109 2.074,1110 1.334,1111 2.058,1112 1.756,1113 1.698,1114 1.989,1115 1.913,1116 1.162,1117 1.946,1118 1.524,1119 1.466,1120 1.747,1121 1.709,1122 0.964,1123 1.723,1124 1.371,1125 1.301,1126 1.642,1127 1.596,1128 0.738,1129 1.617,1130 1.215,1131 1.142,1132 1.389,1133 1.479,1134 0.521,1135 1.466,1136 1.023,1137 0.948,1138 1.345,1139 1.26,1140 0.442,1141 1.295,1142 0.96,1143 0.895,1144 1.187,1145 1.185,1146 0.237,1147 1.18,1148 0.72,1149 0.668,1150 1.037,1151 0.953,1152 0.152,1153 0.997,1154 3.85,1156 5.187,1157 2.398,1158 6.739,1159 4.727,1160 8.406,1161 6.862,1162 10.142,1164 3.974,1165 6.011,1169 4.342,1174 1.674,1179 24.821,1180 62.317,1181 135.318,1182 174.356,1183 188.621,1184 188.621,1185 188.621,1186 33.309,1187 7.037,1188 39.3,1189 39.3,1190 17,1191 12.577,1192 3.7,1193 2.907,1194 32.068,1195 61,1196 81,1197 0.276,1198 157.215,1199 267.64,1200 375.365,1201 9128,1202 2.6,1203 14.983,1204 0.713,1205 0.62,1206 15.483,1207 13.022,1208 10.13,1209 0.44,1210 0.333,1211 7.22,1212 9.509,1213 6.969,1214 5.833,1215 10.419,1216 7.651,1217 9.039,1218 0.274,1219 0.176,1220 9.447,1221 5.804,1222 7.967,1223 0.17,1224 0.088,1225 8.229,1226 4.138,1227 6.778,1228 0.103,1229 0.045,1230 6.997,1231 2.968,1232 5.667,1233 0.065,1234 0.023,1235 5.958,1236 2.032,1237 0.414,1238 66.148,1239 0.258,1240 20.365,1241 0.814,1242 112,1243 310.874,1244 136.728,1245 332.498,1246 451.87,1247 310,1248 136,1249 320.006,1250 156.966,1251 333.851,1252 496.22,1253 314,1254 6.433}
{0 CHEMBL471977,1 1.574,2 10.621,3 3.868,4 14.961,5 111.376,6 7.097,7 0.194,8 4.111,9 4.235,10 3.748,11 3.83,12 5.15,13 3.691,14 4.696,15 4.897,16 4.092,17 4.191,18 5.734,19 4.059,20 4.976,21 5.144,22 4.166,23 4.312,24 6.071,25 4.22,26 5.19,27 5.455,28 4.217,29 4.336,30 6.213,31 4.216,32 4.956,33 5.135,34 4.145,35 4.265,36 6.153,37 4.165,38 4.949,39 5.156,40 4.049,41 4.242,42 6.055,43 4.113,44 5.018,45 5.274,46 3.905,47 4.154,48 6.052,49 3.992,50 4.87,51 5.154,52 3.86,53 4.11,54 5.767,55 3.918,56 0.04,57 0.942,58 14.479,59 7.816,60 11.1,61 8.589,62 0.474,63 1.585,64 31.483,65 14.887,66 40.719,67 15.543,68 0.405,69 1.745,70 32.154,71 12.577,72 52.319,73 16.542,74 0.598,75 1.97,76 44.179,77 16.397,78 82.462,79 21.313,80 0.597,81 1.712,82 35.188,83 13.418,84 85.302,85 15.607,86 0.343,87 1.723,88 33.463,89 13.171,90 60.738,91 16.628,92 0.718,93 1.713,94 38.61,95 13.47,96 101.021,97 17.937,98 0.314,99 1.541,100 33.549,101 13.661,102 48.748,103 16.781,104 94,105 48,106 0.258,107 0.551,108 0.735,109 0.749,110 0.749,111 0.749,112 3.409,113 1.29,114 -4.52,115 -4.45,116 -4.19,118 37.9,119 3,123 4,124 1,125 1,126 1,128 1,133 1,134 1,135 3,136 2,137 1,147 1,149 2,159 5,161 3,162 7,166 9,168 3,169 4,173 4,175 4,176 10,183 2,184 10,190 1,191 8,197 2,198 8,204 2,208 6,211 5,215 6,216 1238,217 17.98,218 17.98,219 17.98,220 17.98,221 17.98,222 16.678,223 23.725,224 9.97,225 18.324,226 15.277,227 15.277,228 15.277,229 15.277,230 15.277,231 12.978,232 30.477,233 4.746,234 15.813,235 4.284,236 2.504,237 1.381,238 1.299,239 1.299,240 1.299,241 4.077,245 1,246 1,247 633,248 4.69,251 54.481,252 61.983,253 69.42,255 104.911,256 113.181,258 2.064,259 34.641,262 1,263 1,264 1,265 1,266 1,267 1,268 1,269 1,270 61.833,271 308,272 4.552,273 3.9,274 6.95,275 4.277,276 3.319,277 4.112,278 1.674,279 11.741,280 3.188,281 4.361,282 3.72,283 6.548,284 4.106,285 3.138,286 3.638,287 1.21,288 10.356,289 3.101,290 4.267,291 3.386,292 6.398,293 4.079,294 3.102,295 3.477,296 1.2,297 9.964,298 2.961,299 4.045,300 3.147,301 6.373,302 3.846,303 2.865,304 3.095,305 0.647,306 9.761,307 2.796,308 3.786,309 3.106,310 5.913,311 3.471,312 2.507,313 3.014,314 0.293,315 7.985,316 2.42,317 3.633,318 2.866,319 5.48,320 3.301,321 2.323,322 2.805,323 0.29,324 7.069,325 2.255,326 3.298,327 2.545,328 5.2,329 2.981,330 2,331 2.341,333 6.191,334 1.947,335 2.956,336 2.13,337 4.471,338 2.348,339 1.375,340 1.81,342 3.81,343 1.329,344 2.783,345 1.707,346 4.082,347 2.105,348 1.16,349 1.456,350 3.137,351 1.092,352 2.511,353 1.516,354 3.892,355 1.962,356 0.999,357 1.346,358 2.701,359 0.952,360 2.241,361 1.233,362 3.437,363 1.674,364 0.671,365 1.046,366 1.657,367 0.668,368 2.032,369 0.809,370 3.373,371 1.616,372 0.604,373 0.815,374 1.522,375 0.605,376 1.173,377 0.738,378 3.017,379 0.879,380 -0.073,381 -0.08,382 -0.196,383 -0.068,384 0.883,385 0.169,386 2.76,387 0.531,388 -0.435,389 -0.528,390 -1.182,391 -0.415,392 0.742,393 -0.074,394 2.596,395 0.488,396 -0.498,397 -0.582,398 -1.292,399 -0.482,400 14.45,401 0.498,402 1.317,403 0.045,404 32.5,405 1.121,406 13,407 0.448,408 19.5,409 0.672,410 31.351,411 1.081,412 31.75,413 0.547,414 27.649,415 0.953,416 5.658,417 0.195,418 7.697,419 0.265,420 0.288,421 0.121,422 0.298,424 0.813,425 1.418,426 0.908,427 1.353,428 0.644,429 1.092,430 0.823,431 1.302,432 1.183,433 1.95,434 0.463,435 1.167,436 1.087,437 1.109,438 1.029,439 0.697,440 0.879,441 1.079,442 0.903,443 0.725,444 0.638,445 0.497,446 1.231,447 0.639,448 1.723,449 1.047,450 1.177,451 0.902,452 2.083,453 0.997,454 1.054,455 1.112,456 1.067,457 0.882,458 1.045,459 1.092,460 1.024,461 0.99,462 0.912,463 0.807,464 0.833,465 0.956,466 0.859,467 0.771,468 0.732,469 0.708,470 0.735,471 0.707,472 9.5,473 0.18,474 4,475 2.535,476 2.448,477 1.622,478 1.051,479 0.714,480 0.616,481 0.244,482 9105,483 21404,484 1.919,485 50,487 18,488 2,492 9,494 1.723,495 1.706,496 3.311,497 -0.751,499 1,502 91.264,503 1.574,504 3.354,505 4.477,506 4.559,507 4.559,508 4.559,509 2.779,510 4.254,511 4.82,512 3.553,513 1442.59,514 8.419,515 18884.7,517 1,519 1,520 339.763,521 1.838,522 4.716,523 0.306,524 0.014,525 0.083,526 0.052,527 0.048,528 0.035,529 0.026,530 0.022,531 0.019,532 0.009,533 0.614,534 0.33,535 1,536 1.49,537 145.453,538 0.007,539 -0.088,540 0.141,541 0.128,542 -0.083,543 0.083,544 0.281,545 0.091,546 0.058,547 -0.131,548 0.199,549 0.081,550 -0.035,551 -0.166,552 -0.211,553 -0.12,554 -0.078,555 -0.235,556 0.116,557 0.116,558 0.254,559 0.136,561 0.223,562 -0.165,563 -0.019,564 -0.189,565 -0.009,566 -0.232,567 -0.086,568 -0.054,569 -0.108,570 -0.166,571 -0.1,572 -0.017,573 -0.188,574 -0.03,575 -0.101,576 0.009,577 -0.045,578 0.12,579 -0.049,580 -0.014,581 0.172,582 0.236,583 0.208,584 0.061,585 0.258,586 2.21,587 6.03,588 0.483,589 31.063,590 0.992,591 1.125,592 3.292,593 10.841,594 0.678,595 3.466,596 3.892,597 4.06,598 4.369,599 4.635,600 4.86,601 5.024,602 5.198,603 5.333,604 5.352,605 6.395,606 0.62,607 411.63,608 3.466,609 5.069,610 5.911,611 6.838,612 7.709,613 8.637,614 9.524,615 10.451,616 11.349,617 12.277,618 5.2,622 1,623 1,625 1,632 3,637 3,639 6,642 1,646 1,650 58,652 10,653 1,654 31,656 60,657 22,658 6,659 3,660 3,661 3,663 3,664 6,667 3,670 1,672 1,673 2,674 9,675 11,676 1,677 3,680 2,682 1,683 3,685 1,687 29,688 6,690 7,691 1,694 3,696 0.333,697 3,708 1,709 1,710 1,712 1,713 1,715 2,717 1,721 1,728 1,732 7,735 29,739 2,741 1,743 1,744 2,745 1,746 1,747 1,753 2,755 5.2,758 2,760 1,762 17,763 12.933,764 5.944,765 3.453,766 2.209,767 1.287,768 1.001,769 5.892,770 9.906,771 3.689,772 4.256,773 4.747,774 5.228,775 5.742,776 6.131,777 6.554,778 6.922,779 7.237,780 7.438,781 1,782 49,783 10.869,784 4.71,785 7.768,786 20.859,787 17.719,788 2.268,789 65.778,791 1,792 1,793 188.338,794 113.175,795 35.47,797 50.29,800 106.402,801 241.692,802 36.45,803 8.825,804 8.852,805 56.857,806 77.97,807 31.313,808 11.771,809 176.567,811 188.338,812 145.453,813 57.643,816 188.338,817 54.454,819 32.144,820 83.927,821 33.816,823 200.109,824 83.099,825 128.737,827 188.338,828 34.329,829 77.058,831 97.742,832 188.338,833 89.637,834 128.737,835 0.614,836 0.311,837 0.162,838 0.095,839 24,840 13,841 0.05,842 3,843 2,844 1.286,845 3.719,846 262.735,847 0.286,848 14,849 131.372,852 21.906,853 7.8,854 5.039,856 84.195,857 5.712,862 2.21,865 414.867,866 39,869 25.694,871 4.463,872 -0.128,873 57.552,874 65.245,875 1,876 0.269,877 0.573,878 0.764,879 0.778,880 0.778,881 0.778,882 5.027,883 1.375,884 6.014,885 6.191,886 4.575,887 4.942,888 2.584,889 6.919,890 4.51,891 6.298,892 1.16,893 7.647,894 3.81,895 4.635,896 4.966,897 0.57,898 8.217,899 4.55,900 7.656,901 0.999,902 9.382,903 3.137,904 6.358,905 7.079,906 3.188,907 11.171,908 6.228,909 9.038,910 0.671,911 11.171,912 2.701,913 7.091,914 7.782,915 1.064,916 13.132,917 6.938,918 10.443,919 0.604,920 12.99,921 1.657,922 8.428,923 9.487,924 4.004,925 15.718,926 8.236,927 11.864,928 -0.073,929 14.828,930 1.522,931 9.411,932 10.494,933 1.526,934 17.93,935 9.191,936 13.297,937 -0.435,938 16.68,939 -0.196,940 10.626,941 12.033,942 4.925,943 20.4,944 10.37,945 3.319,946 -0.498,947 18.54,948 -1.182,949 11.71,950 13.203,951 1.975,952 22.723,953 11.423,954 3.138,955 11.741,956 20.409,957 -1.292,958 12.885,959 14.665,960 5.901,961 25.157,962 12.564,963 3.102,964 10.356,965 22.283,966 4.112,967 14.013,968 15.929,969 2.413,970 27.532,971 13.659,972 2.865,973 9.964,974 24.162,975 3.638,976 15.177,977 17.355,978 6.905,979 29.957,980 14.789,981 2.507,982 9.761,983 26.046,984 3.477,985 16.325,986 18.673,987 2.842,988 32.361,989 15.903,990 2.323,991 7.985,992 27.933,993 3.095,994 17.488,995 20.083,996 7.922,997 34.789,998 17.033,999 2,1000 7.069,1001 29.824,1002 3.014,1003 18.646,1004 21.436,1005 3.262,1006 37.209,1007 18.157,1008 9255,1009 14368,1010 18.898,1011 39.336,1012 50.738,1013 51.498,1014 49.912,1015 48.153,1016 48.124,1017 57.911,1018 10.628,1019 151.786,1020 46.628,1021 5.509,1022 5.9,1023 6.246,1024 5.352,1025 5.319,1026 7.112,1027 3.349,1028 19.428,1029 5.188,1030 21.096,1031 1.637,1032 1.661,1033 1.61,1034 1.553,1035 1.552,1036 1.868,1037 0.343,1038 4.896,1039 1.504,1040 4.048,1041 4.082,1042 4.176,1043 4.563,1044 7.434,1045 4.026,1046 3.801,1047 3.829,1048 3.977,1049 3.922,1050 7.427,1051 3.879,1052 3.712,1053 3.761,1054 3.724,1055 3.637,1056 4.863,1057 3.648,1058 3.625,1059 3.676,1060 3.542,1061 3.522,1062 4.673,1063 3.514,1064 3.503,1065 3.573,1066 3.418,1067 3.261,1068 4.523,1069 3.291,1070 3.149,1071 3.168,1072 3.087,1073 3.018,1074 4.39,1075 3.012,1076 3.048,1077 3.063,1078 2.965,1079 2.832,1080 4.103,1081 2.86,1082 2.933,1083 3.014,1084 2.804,1085 2.749,1086 3.97,1087 2.764,1088 0.147,1089 0.126,1090 0.224,1091 0.138,1092 0.107,1093 4.552,1094 0.133,1095 3.9,1096 0.054,1097 6.95,1098 0.379,1099 4.277,1100 0.103,1101 3.319,1102 4.112,1103 1.674,1104 11.741,1105 3.188,1106 1.95,1107 1.934,1108 2,1109 2.004,1110 1.334,1111 2.005,1112 1.788,1113 1.759,1114 1.948,1115 1.92,1116 1.169,1117 1.922,1118 1.714,1119 1.673,1120 1.827,1121 1.846,1122 1.119,1123 1.848,1124 1.631,1125 1.57,1126 1.784,1127 1.631,1128 1.097,1129 1.768,1130 1.373,1131 1.32,1132 1.553,1133 1.609,1134 0.704,1135 1.605,1136 1.294,1137 1.237,1138 1.528,1139 1.5,1140 0.652,1141 1.517,1142 0.994,1143 0.928,1144 1.417,1145 1.239,1146 0.469,1147 1.308,1148 0.941,1149 0.894,1150 1.417,1151 1.239,1152 0.469,1153 1.308,1154 4.143,1156 5.541,1157 2.398,1158 7.088,1159 4.844,1160 8.703,1161 7.066,1162 10.363,1164 13.811,1169 0.703,1171 5.53,1173 -0.32,1174 3.649,1175 -0.596,1176 -1.515,1178 6.566,1179 35.942,1180 91.264,1181 194.532,1182 259.685,1183 264.44,1184 264.44,1185 264.44,1186 79.567,1187 7.697,1188 62.21,1189 62.21,1190 18,1191 12.786,1192 3.459,1193 3.17,1194 52.331,1195 112,1196 108,1197 0.242,1198 225.301,1199 414.94,1200 541.495,1201 21354,1203 21.56,1204 0.743,1205 0.665,1206 21.81,1207 19.29,1208 13.355,1209 0.431,1210 0.43,1211 10.058,1212 12.126,1213 9.088,1214 7.698,1215 14.282,1216 13.326,1217 14.489,1218 0.302,1219 0.299,1220 15.895,1221 14.34,1222 9.732,1223 0.171,1224 0.096,1225 10.179,1226 5.48,1227 8.257,1228 0.106,1229 0.049,1230 8.575,1231 3.826,1232 6.675,1233 0.065,1234 0.028,1235 7.047,1236 2.834,1237 0.372,1238 91.112,1239 0.23,1240 27.104,1241 0.688,1242 158,1243 431.643,1244 194.575,1245 424.793,1246 575.18,1247 394,1248 184,1249 414.463,1250 224.566,1251 434.698,1252 633.01,1253 401,1254 8.583}
{0 CHEMBL471978,1 1.655,2 8.636,3 2.545,4 6.475,5 79.041,6 8.438,7 0.458,8 3.685,9 3.781,10 3.359,11 3.21,12 4.944,13 3.233,14 4.188,15 4.339,16 3.745,17 3.572,18 5.438,19 3.594,20 4.346,21 4.485,22 3.886,23 3.717,24 5.667,25 3.738,26 4.449,27 4.582,28 3.903,29 3.75,30 5.856,31 3.767,32 4.442,33 4.604,34 3.718,35 3.635,36 5.829,37 3.63,38 4.314,39 4.508,40 3.453,41 3.405,42 5.776,43 3.385,44 4.05,45 4.252,46 3.087,47 3.25,48 5.246,49 3.174,50 3.968,51 4.207,52 2.704,53 3.04,54 5.125,55 2.901,56 0.073,57 0.516,58 5.306,59 2.847,60 9.463,61 3.19,62 0.394,63 0.826,64 11.702,65 4.499,66 27.379,67 5.271,68 0.344,69 0.94,70 13.256,71 5.589,72 33.164,73 6.456,74 0.549,75 1.015,76 14.784,77 5.666,78 46.593,79 6.119,80 0.427,81 0.967,82 15.908,83 5.997,84 58.654,85 6.661,86 0.626,87 0.812,88 16.315,89 5.11,90 93.166,91 5.831,92 0.265,93 0.641,94 11.566,95 4.411,96 26.127,97 5.329,98 0.28,99 0.53,100 12.572,101 4.71,102 50.384,103 6.042,104 32,105 35,106 0.299,107 0.726,108 0.842,109 0.867,110 0.867,111 0.867,112 3.149,113 0.84,114 -3.47,115 -3.45,116 -3.29,118 45.7,119 1,123 1,124 1,132 1,133 1,135 3,136 2,137 1,139 1,145 1,149 2,151 1,159 6,161 4,162 5,166 7,168 3,169 4,173 6,175 5,176 8,180 2,183 1,184 8,190 2,191 10,198 5,204 4,208 2,211 2,215 2,216 536,217 14.861,218 14.861,219 14.861,220 14.861,221 14.861,222 13.352,223 19.557,224 8.528,225 15.281,226 11.683,227 11.683,228 11.683,229 11.683,230 11.683,231 9.039,232 19.668,233 3.823,234 12.235,235 3.475,236 1.107,237 0.465,238 0.329,239 0.329,240 0.329,241 3.822,244 1,245 1,246 1,247 399,248 3.162,251 36.594,252 84.503,254 63.953,255 71.62,258 1.512,259 28.973,261 1,262 1,263 1,264 1,265 0.4,267 1,268 1,269 0.77,270 48.5,271 190,272 4.714,273 3.834,274 7.128,275 4.349,276 3.397,277 4.403,278 1.674,279 12.367,280 3.239,281 4.243,282 3.638,283 6.432,284 3.839,285 2.854,286 3.853,287 1.2,288 9.832,289 2.798,290 3.872,291 3.026,292 5.928,293 3.422,294 2.445,295 3.17,296 0.293,297 7.916,298 2.39,299 3.679,300 2.903,301 5.643,302 3.305,303 2.348,304 2.941,306 7.245,307 2.235,308 3.476,309 2.512,310 5.223,311 3.033,312 2.065,313 2.624,315 6.318,316 1.98,317 2.965,318 1.832,319 4.317,320 2.342,321 1.419,322 1.855,324 3.64,325 1.304,326 2.768,327 1.751,328 4.092,329 2.115,330 1.173,331 1.552,333 2.976,334 1.095,335 2.482,336 1.497,337 3.857,338 1.914,339 0.94,340 1.382,342 2.476,343 0.907,344 2.461,345 1.168,346 3.229,347 1.749,348 0.762,349 1.023,350 1.339,351 0.74,352 2.057,353 0.817,354 3.021,355 1.469,356 0.474,357 0.842,358 0.829,359 0.47,360 1.784,361 0.633,362 2.829,363 1.33,364 0.341,365 0.455,366 0.73,367 0.333,368 1.123,369 0.271,370 2.559,371 0.622,372 -0.356,373 -0.48,374 -0.755,375 -0.345,376 0.679,377 -0.153,378 2.181,379 0.395,380 -0.585,381 -0.699,382 -0.938,383 -0.563,384 0.669,385 -0.47,386 2,387 0.191,388 -0.827,389 -1.132,390 -2.359,391 -0.836,392 0.395,393 -0.639,394 2,395 0.047,396 -0.929,397 -1.287,398 -2.405,399 -0.897,400 10.2,401 0.464,402 0.593,403 0.027,404 30.5,405 1.386,406 15.5,407 0.705,408 15,409 0.682,410 14.888,411 0.677,412 22.8,413 0.651,414 23.387,415 1.063,416 6.212,417 0.282,418 4.367,419 0.199,420 0.212,422 0.422,424 0.727,425 1.469,426 0.646,427 1.133,428 0.582,429 0.921,430 0.789,431 0.836,432 0.668,433 0.67,434 0.55,435 0.632,436 0.897,437 1.111,438 0.705,439 0.931,440 0.766,441 0.808,442 1.17,443 1.036,444 1.048,445 0.964,446 1.493,447 0.972,448 1.324,449 1.221,450 1.175,451 1.197,452 1.391,453 1.156,454 1.378,455 0.854,456 1.223,457 0.842,458 1.127,459 0.949,460 1.059,461 0.945,462 1.275,463 1.143,464 0.9,465 1.224,466 1.008,467 0.926,468 1.186,469 1.134,470 1.24,471 1.214,472 4,473 0.029,474 3.111,475 1.965,476 2.175,477 1.126,478 0.587,479 0.234,480 0.154,481 0.066,482 4111,483 13418,484 2.017,485 37.1,487 8,488 1,489 1,492 3,494 1.651,495 1.833,496 3.044,497 -0.717,499 1,501 1,502 57.909,503 1.655,504 4.022,505 4.665,506 4.8,507 4.8,508 4.8,509 2.699,510 4.278,511 4.423,512 3.138,513 724.831,514 7.635,515 7505.63,516 1,517 1,519 1,520 179.525,521 1.544,522 4.36,523 0.167,524 0.007,525 0.089,526 0.049,527 0.056,528 0.036,529 0.026,530 0.015,531 0.015,532 0.011,533 0.47,534 0.67,535 1,536 1.408,537 98.296,538 -0.048,539 -0.366,540 0.06,541 -0.178,542 -0.062,543 -0.066,544 0.133,545 0.261,546 0.2,547 0.257,548 0.065,549 0.249,550 0.04,551 -0.067,552 0.155,553 0.021,554 0.04,555 0.089,556 -0.013,557 0.033,558 -0.169,559 -0.05,560 -0.203,561 -0.133,562 -0.191,563 -0.227,564 -0.226,565 -0.26,566 -0.148,567 -0.251,568 -0.081,569 0.115,570 -0.163,571 0.091,572 0.139,573 -0.013,574 -0.182,575 0.014,576 -0.296,577 -0.166,578 -0.069,579 -0.227,580 -0.081,581 -0.121,582 -0.076,583 -0.085,584 -0.158,585 -0.089,586 2.223,587 5.542,588 0.591,589 16.612,590 1.02,591 1.12,592 2.239,593 5.011,594 0.691,595 3.219,596 3.584,597 3.951,598 4.277,599 4.554,600 4.727,601 4.852,602 4.977,603 5.011,604 4.883,605 4.856,606 0.681,607 295.32,608 3.219,609 4.779,610 5.673,611 6.592,612 7.513,613 8.442,614 9.373,615 10.307,616 11.242,617 12.179,618 8.6,623 1,624 1,626 1,632 4,633 1,637 5,638 1,639 11,642 1,643 1,650 35,652 14,653 1,654 24,656 37,657 16,658 9,659 3,660 3,661 2,663 3,664 6,667 1,673 2,674 11,675 3,677 2,680 2,683 2,684 1,685 1,687 13,688 5,690 6,692 1,694 3,696 0.333,697 3,708 1,709 2,711 1,712 1,715 1,716 1,728 1,732 2,735 22,739 1,741 1,744 1,747 1,748 1,753 1,755 8.6,758 2,760 1,762 12,763 7.267,764 4.972,765 2.132,766 2.578,767 1.361,768 0.977,769 3.477,770 9.718,771 3.541,772 4.123,773 4.801,774 5.408,775 5.938,776 6.387,777 6.8,778 7.162,779 7.505,780 7.731,781 1,782 40,783 8.115,784 3.503,785 8.053,786 14.896,787 11.957,788 2.553,789 56.167,793 153.024,794 125.322,795 21.809,797 61.29,800 125.322,801 214.314,802 21.809,803 17.222,804 7.717,805 28.429,806 99.361,807 27.112,808 52.123,809 129.482,811 153.024,812 147.131,813 61.29,816 117.711,817 96.603,819 32.144,820 81.17,821 33.816,823 153.024,824 83.099,825 125.322,827 153.024,828 30.701,829 59.292,830 17.031,831 101.397,832 153.024,833 83.099,834 125.322,835 0.582,836 0.37,837 0.208,838 0.118,839 18,840 9,841 0.081,842 3,843 2,844 1.308,845 3.217,846 183.094,847 0.308,848 13,849 98.107,852 14.369,853 5.323,854 2.128,856 81.2,857 6.64,858 4.097,862 2.238,863 1.684,865 361.445,866 33.5,869 24.522,872 -0.801,873 35.705,874 39.199,876 0.323,877 0.784,878 0.909,879 0.936,880 0.936,881 0.936,882 4.81,883 0.94,884 5.694,885 2.976,886 4.263,887 4.808,888 2.25,889 6.605,890 4.183,891 6.05,892 0.762,893 7.321,894 2.476,895 4.007,896 4.718,897 0.325,898 7.708,899 3.905,900 7.387,901 0.474,902 9.05,903 1.339,904 5.948,905 7.041,906 3.008,907 10.883,908 5.791,909 8.762,910 0.341,911 10.837,912 0.829,913 6.524,914 7.803,915 0.653,916 12.799,917 6.335,918 10.17,919 -0.356,920 12.662,921 0.73,922 7.959,923 9.589,924 3.907,925 15.522,926 7.722,927 11.602,928 -0.585,929 14.511,930 -0.755,931 8.891,932 10.726,933 1.001,934 17.774,935 8.611,936 13.053,937 -0.827,938 16.379,939 -0.938,940 10.159,941 12.313,942 4.874,943 20.353,944 9.832,945 3.397,946 -0.929,947 18.26,948 -2.359,949 11.247,950 13.623,951 1.37,952 22.75,953 10.871,954 2.854,955 12.367,956 20.154,957 -2.405,958 12.464,959 15.134,960 5.875,961 25.28,962 12.04,963 2.445,964 9.832,965 22.057,966 4.403,967 13.621,968 16.527,969 1.754,970 27.741,971 13.146,972 2.348,973 7.916,974 23.967,975 3.853,976 14.827,977 18.009,978 6.892,979 30.255,980 14.302,981 2.065,982 7.245,983 25.885,984 3.17,985 16.014,986 19.441,987 2.143,988 32.744,989 15.438,990 1.419,991 6.318,992 27.808,993 2.941,994 17.221,995 20.915,996 7.916,997 35.255,998 16.595,999 1.173,1000 3.64,1001 29.736,1002 2.624,1003 18.424,1004 22.367,1005 2.535,1006 37.756,1007 17.746,1008 4184,1009 7655,1010 15.433,1011 24.188,1012 38.293,1013 38.724,1014 39.406,1015 36.469,1016 36.437,1017 48.201,1018 6.334,1019 111.336,1020 34.983,1021 5.604,1022 5.834,1023 6.897,1024 5.421,1025 5.397,1026 7.403,1027 3.349,1028 20.367,1029 5.239,1030 12.683,1031 1.596,1032 1.614,1033 1.642,1034 1.52,1035 1.518,1036 2.008,1037 0.264,1038 4.639,1039 1.458,1040 4.101,1041 4.138,1042 4.081,1043 3.975,1044 7.434,1045 3.993,1046 3.764,1047 3.789,1048 3.729,1049 3.639,1050 7.426,1051 3.662,1052 3.523,1053 3.577,1054 3.413,1055 3.298,1056 5.446,1057 3.309,1058 3.388,1059 3.45,1060 3.294,1061 3.18,1062 4.919,1063 3.192,1064 3.207,1065 3.246,1066 3.112,1067 3.084,1068 4.524,1069 3.089,1070 3.045,1071 3.063,1072 2.939,1073 2.788,1074 4.427,1075 2.815,1076 2.96,1077 3.018,1078 2.777,1079 2.759,1080 4.014,1081 2.764,1082 2.619,1083 2.682,1084 2.47,1085 2.44,1086 3.635,1087 2.44,1088 0.196,1089 0.16,1090 0.297,1091 0.181,1092 0.142,1093 4.714,1094 0.183,1095 3.834,1096 0.07,1097 7.128,1098 0.515,1099 4.349,1100 0.135,1101 3.397,1102 4.403,1103 1.674,1104 12.367,1105 3.239,1106 1.969,1107 1.948,1108 2.033,1109 2.082,1110 1.171,1111 2.065,1112 1.586,1113 1.557,1114 1.809,1115 1.806,1116 0.94,1117 1.793,1118 1.479,1119 1.421,1120 1.696,1121 1.7,1122 0.78,1123 1.707,1124 1.333,1125 1.277,1126 1.461,1127 1.561,1128 0.503,1129 1.535,1130 1.19,1131 1.131,1132 1.398,1133 1.437,1134 0.36,1135 1.432,1136 1.088,1137 1.044,1138 1.254,1139 1.252,1140 0.23,1141 1.25,1142 0.951,1143 0.887,1144 1.179,1145 1.165,1146 0.108,1147 1.176,1148 0.63,1149 0.582,1150 0.996,1151 0.965,1152 0.001,1153 0.959,1154 3.892,1156 5.242,1157 2.398,1158 6.81,1159 4.727,1160 8.487,1161 6.88,1162 10.227,1164 3.302,1169 0.241,1171 4.981,1174 1.377,1177 5.38,1178 2.507,1179 23.843,1180 57.909,1181 140.77,1182 163.26,1183 168.015,1184 168.015,1185 168.015,1186 40.918,1187 7.14,1188 65.6,1189 65.6,1190 17,1191 12.677,1192 3.907,1193 3.392,1194 34.252,1195 65,1196 73,1197 0.284,1198 148.093,1199 262.09,1200 353.106,1201 10051,1203 15.853,1204 0.721,1205 0.553,1206 15.853,1207 12.16,1208 10.579,1209 0.441,1210 0.28,1211 6.585,1212 10.055,1213 6.398,1214 5.324,1215 10.579,1216 6.717,1217 9.382,1218 0.268,1219 0.136,1220 9.382,1221 4.748,1222 8.6,1223 0.169,1224 0.068,1225 8.6,1226 3.487,1227 7.267,1228 0.102,1229 0.035,1230 7.267,1231 2.466,1232 5.917,1233 0.063,1234 0.017,1235 5.917,1236 1.641,1237 0.423,1238 67.15,1239 0.255,1240 21.007,1241 0.853,1242 118,1243 408.142,1244 133.076,1245 388.991,1246 529.35,1247 362,1248 145,1249 392.234,1250 161.468,1251 394.889,1252 586.45,1253 370,1254 8.775}
{0 CHEMBL498936,1 1.481,2 6.813,3 3.044,4 9.267,5 62.84,6 7.581,7 0.833,8 3.458,9 3.567,10 3.061,11 3.037,12 4.553,13 3.023,14 3.956,15 4.107,16 3.404,17 3.4,18 5.028,19 3.371,20 4.11,21 4.306,22 3.376,23 3.446,24 5.102,25 3.394,26 4.015,27 4.212,28 3.188,29 3.345,30 4.99,31 3.266,32 3.905,33 4.131,34 2.941,35 3.149,36 4.854,37 3.04,38 3.775,39 4.023,40 2.657,41 2.906,42 4.647,43 2.784,44 3.463,45 3.716,46 2.225,47 2.58,48 4.281,49 2.441,50 3.229,51 3.493,52 1.725,53 2.379,54 3.97,55 2.169,56 0.013,57 0.4,58 5.451,59 2.465,60 4.565,61 3.117,62 0.117,63 0.635,64 10.142,65 4.101,66 13.178,67 5.273,68 0.161,69 0.728,70 12.907,71 4.822,72 15.926,73 6.277,74 0.091,75 0.678,76 11.316,77 4.279,78 12.26,79 5.748,80 0.119,81 0.574,82 10.718,83 4.114,84 14.319,85 5.678,86 0.091,87 0.482,88 9.969,89 3.641,90 13.178,91 4.971,92 0.095,93 0.352,94 7.357,95 2.517,96 9.552,97 3.414,98 0.06,99 0.278,100 5.692,101 2.143,102 6.964,103 3.005,104 4,105 25,106 0.283,107 0.628,108 0.767,109 0.86,110 0.873,111 0.873,112 2.855,113 0.896,114 -3.33,115 -3.32,116 -3.18,118 46.4,119 1,124 1,135 5,136 2,138 1,140 1,144 2,159 6,161 1,162 3,165 3,166 6,169 2,170 1,172 3,173 5,176 3,179 1,180 4,184 3,185 1,187 2,191 4,195 1,198 1,201 1,202 1,208 2,215 1,216 234,217 11.232,218 11.232,219 11.232,220 11.232,221 11.232,222 9.57,223 5.392,224 6.789,225 11.563,226 8.891,227 8.891,228 8.891,229 8.891,230 8.891,231 6.358,232 5.814,233 3.165,234 9.352,235 3.326,236 1.526,237 0.799,238 0.313,239 0.241,240 0.241,241 3.536,245 1,246 1,247 239,248 2.121,251 20.285,252 57.562,254 82.154,258 1.086,259 8.403,262 1,263 1,264 1,265 0.6,266 0.5,267 1,268 1,269 0.87,270 34,271 109,272 4.708,273 3.231,274 6.76,275 4.193,276 3.212,277 4.806,278 0.86,279 11.12,280 3.15,281 3.913,282 2.798,283 5.633,284 3.428,285 2.494,286 3.544,288 7.475,289 2.341,290 3.497,291 2.193,292 5.216,293 3.029,294 2.082,295 2.893,297 6.377,298 1.949,299 3.248,300 1.763,301 4.869,302 2.72,303 1.754,304 2.614,306 5.274,307 1.69,308 2.894,309 1.498,310 3.795,311 2.389,312 1.401,313 2.089,315 3.064,316 1.382,317 2.5,318 1.375,319 3.592,320 2.008,321 1.097,322 1.5,324 2.546,325 0.994,326 2.217,327 1,328 3.241,329 1.974,330 1,331 1.191,333 1.945,334 0.967,335 1.848,336 0.469,337 2.994,338 1.348,339 0.406,340 0.579,342 0.929,343 0.381,344 1.029,345 -0.078,346 2.402,347 0.665,348 -0.273,349 -0.327,350 -0.51,351 -0.254,352 0.804,353 -0.685,354 2.246,355 0.285,356 -0.696,357 -1.034,358 -1.651,359 -0.682,360 0.52,361 -0.697,362 2,363 0.15,364 -0.795,365 -1.045,366 -1.855,367 -0.747,368 0.5,369 -1,370 2,371 -0.013,372 -1,373 -1.5,374 -2.858,375 -0.987,376 0.238,377 -1.035,378 1.586,379 -0.215,380 -1.175,381 -1.608,382 -3.079,383 -1.123,384 -0.338,385 -1.351,386 1.276,387 -0.793,388 -1.698,389 -2.061,390 -4.48,391 -1.478,392 -0.383,393 -1.861,394 1.114,395 -0.909,396 -1.87,397 -2.791,398 -5.264,399 -1.776,400 7.633,401 0.477,402 0.291,403 0.018,404 23,405 1.438,406 12.5,407 0.781,408 10.5,409 0.656,410 9.138,411 0.571,412 16.367,413 0.585,414 12.963,415 0.81,416 4.553,417 0.285,418 3.328,419 0.208,420 0.066,422 0.328,424 0.909,425 1.182,426 0.752,427 0.994,428 0.914,429 0.872,430 1.088,431 1.082,432 0.832,433 0.926,434 0.884,435 0.865,436 1.316,437 0.894,438 0.928,439 0.817,440 1.106,441 0.826,442 1.078,443 1.148,444 1.132,445 1.104,446 1.15,447 1.11,448 0.778,449 1.023,450 1.041,451 1.116,452 0.967,453 1.109,454 1.181,455 1.067,456 1.06,457 1.076,458 1.129,459 1.062,460 1.455,461 0.903,462 1.277,463 1.004,464 1.272,465 1.095,466 0.92,467 0.976,468 1.414,469 1.219,470 1.097,471 1.351,472 2.5,474 1.556,475 1.201,476 0.586,477 0.4,478 0.157,479 0.084,480 0.033,481 0.016,482 1942,483 4701,484 2.174,485 42.9,487 7,489 1,490 1,492 3,494 1.553,495 2.087,496 2.792,497 -0.291,499 1,501 1,502 41.481,503 1.481,504 3.281,505 4.009,506 4.495,507 4.566,508 4.566,509 2.281,510 3.625,511 3.968,512 2.834,513 340.135,514 6.693,515 2817.95,517 1,519 1,520 134.606,521 1.198,522 3.954,523 0.139,525 0.062,526 0.05,527 0.031,528 0.029,529 0.016,530 0.014,531 0.011,532 0.016,533 0.367,534 1,535 1,536 1,537 63.07,538 -0.037,539 -0.105,540 0.062,541 -0.036,542 -0.102,543 0.018,544 0.059,545 -0.054,546 0.066,547 0.028,548 0.119,549 0.04,550 -0.11,551 0.109,552 0.031,553 0.133,554 -0.053,555 0.101,556 -0.157,557 -0.116,558 -0.214,559 -0.171,560 -0.202,561 -0.191,562 0.12,563 -0.063,564 -0.081,565 -0.155,566 0.02,567 -0.143,568 -0.077,569 -0.161,570 -0.041,571 -0.109,572 -0.029,573 -0.078,574 -0.25,575 0.038,576 -0.248,577 -0.059,578 -0.181,579 -0.134,580 -0.195,581 -0.062,582 -0.433,583 -0.247,584 -0.302,585 -0.348,586 0.986,587 1.907,588 0.813,589 9.156,590 0.998,591 1.117,592 2.102,593 4.419,594 0.688,595 2.944,596 3.258,597 3.584,598 3.912,599 4.159,600 4.22,601 4.357,602 4.443,603 4.205,604 4.078,605 3.995,606 0.657,607 212.27,608 2.944,609 4.466,610 5.333,611 6.225,612 7.117,613 8.021,614 8.923,615 9.83,616 10.737,617 11.646,618 7.1,624 1,626 1,631 4,632 6,633 1,634 1,637 1,639 15,648 1,650 28,652 15,653 1,654 18,656 30,657 13,658 11,659 2,660 4,663 3,664 6,667 1,674 11,675 2,685 1,687 12,688 2,689 1,690 3,694 2,696 0.333,697 1,702 1,704 1,708 1,709 2,711 2,728 1,732 1,735 16,739 1,741 1,755 3.6,760 1,762 7.667,763 5.367,764 3.583,765 1.804,766 3.235,767 1.498,768 1.039,769 2.205,770 9.729,771 3.277,772 3.975,773 4.707,774 5.443,775 6.089,776 6.51,777 7.019,778 7.489,779 7.566,780 7.802,781 0.8,782 24,783 5.875,784 2.464,785 7.552,786 11.384,787 9.302,788 2.052,789 32.833,790 0.004,793 129.482,794 84.095,795 33.571,797 11,800 84.095,801 140.482,802 33.571,803 8.825,804 4.592,805 47.381,806 28.557,807 41.979,808 9.103,809 117.711,811 129.482,812 117.666,813 11,816 94.169,817 46.313,819 39.251,820 61.63,821 16.786,823 129.482,824 44.571,825 84.095,827 129.482,828 18.841,829 65.254,830 16.786,831 27.785,832 129.482,833 44.571,834 84.095,835 0.566,836 0.34,837 0.204,838 0.116,839 14,840 5,841 0.067,842 2,843 2,844 1.308,845 2.894,846 113.894,847 0.308,848 13,849 64,852 9.519,853 3.706,854 1.541,855 4.549,856 27.785,857 12.03,858 4.238,859 3.329,862 0.68,864 16.786,865 258.148,866 25.5,873 27.949,874 31.282,876 0.308,877 0.683,878 0.834,879 0.935,880 0.95,881 0.95,882 4.474,883 0.406,884 5.303,885 1.945,886 3.932,887 4.659,888 0.908,889 6.138,890 3.849,891 5.706,892 -0.273,893 6.864,894 0.929,895 3.434,896 4.559,898 7.066,899 3.336,900 7.034,901 -0.696,902 8.53,903 -0.51,904 5.525,905 7.053,906 0.739,907 10.218,908 5.384,909 8.411,910 -0.795,911 10.261,912 -1.651,913 5.916,914 7.862,916 12.037,917 5.769,918 9.824,919 -1,920 12.034,921 -1.855,922 7.446,923 9.792,924 0.593,925 14.692,926 7.269,927 11.267,928 -1.175,929 13.837,930 -2.858,931 8.263,932 11.027,934 16.874,935 8.083,936 12.732,937 -1.698,938 15.661,939 -3.079,940 9.563,941 12.732,942 0.469,943 19.365,944 9.361,945 3.212,946 -1.87,947 17.503,948 -4.48,949 10.577,950 14.162,952 21.689,953 10.368,954 2.494,955 11.12,956 19.357,957 -5.264,958 11.788,959 15.779,960 0.366,961 24.125,962 11.561,963 2.082,964 7.475,965 21.223,966 4.806,967 12.888,968 17.291,970 26.502,971 12.65,972 1.754,973 6.377,974 23.097,975 3.544,976 14.066,977 18.877,978 0.283,979 28.92,980 13.811,981 1.401,982 5.274,983 24.977,984 2.893,985 15.204,986 20.422,988 31.317,989 14.934,990 1.097,991 3.064,992 26.864,993 2.614,994 16.372,995 21.997,996 0.217,997 33.729,998 16.086,999 1,1000 2.546,1001 28.755,1002 2.089,1003 17.525,1004 23.556,1006 36.133,1007 17.222,1008 1919,1009 3066,1010 12.425,1011 19.273,1012 26.986,1013 27.127,1014 27.756,1015 26.888,1016 26.895,1017 38.434,1018 1.72,1019 77.46,1020 25.711,1021 5.405,1022 5.231,1023 6.529,1024 5.24,1025 5.212,1026 7.806,1027 1.72,1028 18.124,1029 5.15,1030 4.854,1031 1.499,1032 1.507,1033 1.542,1034 1.494,1035 1.494,1036 2.135,1037 0.096,1038 4.303,1039 1.428,1040 4.205,1041 4.235,1042 4.175,1043 4.122,1044 5.109,1045 4.131,1046 3.681,1047 3.716,1048 3.616,1049 3.562,1050 4.75,1051 3.568,1052 3.467,1053 3.535,1054 3.302,1055 3.269,1056 4.38,1057 3.263,1058 3.153,1059 3.228,1060 3.028,1061 2.963,1062 4.061,1063 2.973,1064 2.943,1065 2.999,1066 2.848,1067 2.814,1068 3.842,1069 2.816,1070 2.766,1071 2.83,1072 2.618,1073 2.636,1074 3.647,1075 2.624,1076 2.465,1077 2.58,1078 2.208,1079 2.156,1080 3.375,1081 2.156,1082 2.2,1083 2.3,1084 2.012,1085 1.979,1086 3.02,1087 1.966,1088 0.262,1089 0.179,1090 0.376,1091 0.233,1092 0.178,1093 4.708,1094 0.267,1095 3.231,1096 0.048,1097 6.76,1098 0.618,1099 4.193,1100 0.175,1101 3.212,1102 4.806,1103 0.86,1104 11.12,1105 3.15,1106 1.968,1107 1.95,1108 2.048,1109 2.035,1110 1.192,1111 2.039,1112 1.822,1113 1.783,1114 1.912,1115 1.99,1116 0.986,1117 1.97,1118 1.466,1119 1.394,1120 1.784,1121 1.71,1122 0.921,1123 1.736,1124 1.125,1125 1.064,1126 1.317,1127 1.349,1128 0.37,1129 1.346,1130 0.922,1131 0.87,1132 1.148,1133 1.099,1134 0.195,1135 1.115,1136 0.737,1137 0.692,1138 1.025,1139 0.957,1140 0.127,1141 0.98,1142 0.548,1143 0.457,1144 0.918,1145 0.824,1146 0.029,1147 0.856,1148 0.405,1149 0.27,1150 0.796,1151 0.731,1153 0.778,1154 3.611,1156 4.92,1157 2.398,1158 6.447,1159 4.844,1160 8.076,1161 7.05,1162 9.758,1164 1.959,1169 0.64,1171 5.407,1179 18.392,1180 41.481,1181 91.877,1182 112.241,1183 125.851,1184 127.851,1185 127.851,1186 13.837,1187 6.494,1188 37.91,1189 37.91,1190 17,1191 12.162,1192 4,1193 3.087,1194 21.754,1195 38,1196 44,1197 0.301,1198 113.311,1199 178.63,1200 268.239,1201 4675,1203 10.958,1204 0.685,1205 0.564,1206 10.958,1207 9.027,1208 7.881,1209 0.438,1210 0.299,1211 5.309,1212 7.605,1213 5.179,1214 4.303,1215 7.881,1216 5.375,1217 6.836,1218 0.273,1219 0.147,1220 6.836,1221 3.672,1222 5.977,1223 0.171,1224 0.076,1225 5.977,1226 2.658,1227 5.328,1228 0.109,1229 0.04,1230 5.328,1231 1.958,1232 4.464,1233 0.071,1234 0.021,1235 4.464,1236 1.32,1237 0.445,1238 49.059,1239 0.284,1240 15.839,1241 0.904,1242 86,1243 233.714,1244 93.428,1245 227.234,1246 323.97,1247 216,1248 103,1249 250.173,1250 110.181,1251 252.786,1252 373.83,1253 240,1254 6.083}
{0 CHEMBL499814,1 1.451,2 7.588,3 3.568,4 12.73,5 67.364,6 7.3,7 0.789,8 3.545,9 3.659,10 3.114,11 3.118,12 4.607,13 3.095,14 4.059,15 4.22,16 3.448,17 3.485,18 5.081,19 3.442,20 4.238,21 4.451,22 3.432,23 3.53,24 5.19,25 3.462,26 4.167,27 4.387,28 3.24,29 3.413,30 5.091,31 3.329,32 3.963,33 4.18,34 3.053,35 3.237,36 4.912,37 3.135,38 3.909,39 4.151,40 2.816,41 3.074,42 4.802,43 2.957,44 3.699,45 3.952,46 2.458,47 2.856,48 4.473,49 2.704,50 3.519,51 3.78,52 2.201,53 2.717,54 4.237,55 2.532,56 0.02,57 0.44,58 6.407,59 2.817,60 5.077,61 3.684,62 0.129,63 0.703,64 11.843,65 4.715,66 13.647,67 6.279,68 0.16,69 0.815,70 15.232,71 5.657,72 17.856,73 7.677,74 0.166,75 0.752,76 14.403,77 5.025,78 17.282,79 6.846,80 0.117,81 0.612,82 11.375,83 4.392,84 14.224,85 6.131,86 0.116,87 0.566,88 11.306,89 3.941,90 15.856,91 5.483,92 0.1,93 0.445,94 9.246,95 3.339,96 10.572,97 4.653,98 0.061,99 0.374,100 7.57,101 2.977,102 7.153,103 4.241,104 5,105 26,106 0.272,107 0.621,108 0.781,109 0.863,110 0.875,111 0.875,112 2.909,113 0.928,114 -3.6,115 -3.57,116 -3.4,118 45.2,119 1,120 1,124 1,135 5,136 2,138 1,140 1,144 2,159 7,161 1,162 3,165 3,166 6,169 3,170 1,172 3,173 5,176 3,179 1,180 4,184 4,185 1,187 3,191 4,195 2,198 1,201 1,202 2,207 1,208 3,215 3,216 290,217 11.939,218 11.939,219 11.939,220 11.939,221 11.939,222 10.277,223 5.392,224 7.314,225 12.19,226 9.391,227 9.391,228 9.391,229 9.391,230 9.391,231 6.858,232 5.814,233 3.46,234 9.819,235 3.503,236 1.638,237 0.786,238 0.347,239 0.282,240 0.282,241 3.593,245 1,246 1,247 282,248 2.345,251 22.789,252 64.235,254 91.865,258 1.26,259 9.058,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 36,271 129,272 4.708,273 3.231,274 6.76,275 4.193,276 3.212,277 4.806,278 0.86,279 11.12,280 3.15,281 3.914,282 2.805,283 5.633,284 3.431,285 2.497,286 3.544,288 7.479,289 2.342,290 3.499,291 2.2,292 5.219,293 3.036,294 2.089,295 2.895,297 6.388,298 1.957,299 3.249,300 1.769,301 4.87,302 2.722,303 1.756,304 2.614,306 5.275,307 1.692,308 2.895,309 1.634,310 3.795,311 2.407,312 1.438,313 2.09,315 3.065,316 1.393,317 2.5,318 1.392,319 3.593,320 2.345,321 1.37,322 1.5,324 2.665,325 1.327,326 2.479,327 1,328 3.456,329 1.979,330 1,331 1.478,333 2.53,334 0.978,335 1.913,336 0.675,337 3.052,338 1.433,339 0.511,340 0.68,342 1.117,343 0.468,344 1.368,345 0.335,346 2.579,347 1.116,348 0.185,349 0.219,350 0.332,351 0.171,352 0.851,353 -0.303,354 2.372,355 0.429,356 -0.514,357 -0.653,358 -1.113,359 -0.48,360 0.803,361 -0.696,362 2.14,363 0.285,364 -0.696,365 -1.045,366 -1.844,367 -0.682,368 0.5,369 -0.895,370 2,371 -0.011,372 -1,373 -1.246,374 -2.139,375 -0.95,376 0.373,377 -1,378 1.821,379 -0.04,380 -1,381 -1.5,382 -2.862,383 -0.988,384 -0.021,385 -1.227,386 1.379,387 -0.304,388 -1.266,389 -1.662,390 -3.148,391 -1.217,392 -0.356,393 -1.436,394 1.114,395 -0.82,396 -1.758,397 -2.077,398 -4.563,399 -1.573,400 8.133,401 0.478,402 0.291,403 0.017,404 23.5,405 1.382,406 12.5,407 0.735,408 11,409 0.647,410 10.549,411 0.621,412 17.667,413 0.57,414 13.371,415 0.787,416 4.531,417 0.267,418 3.85,419 0.226,420 0.061,422 0.307,424 0.906,425 1.203,426 0.79,427 1.027,428 0.892,429 0.912,430 1.066,431 1.111,432 0.868,433 0.974,434 0.894,435 0.916,436 1.205,437 0.946,438 0.889,439 0.884,440 0.985,441 0.858,442 1.511,443 0.979,444 1.097,445 0.911,446 1.415,447 0.945,448 0.77,449 1.111,450 1.002,451 1.137,452 0.883,453 1.102,454 1.341,455 1.045,456 1.153,457 1.046,458 1.377,459 1.067,460 1.247,461 0.931,462 1.21,463 1.037,464 1.203,465 1.105,466 0.712,467 1.028,468 1.175,469 1.152,470 0.789,471 1.211,472 2.5,473 0.012,474 1.556,475 1.201,476 0.586,477 0.4,478 0.177,479 0.112,480 0.064,481 0.026,482 2361,483 5344,484 2.163,485 45.2,486 3,487 7,489 1,490 1,492 2,494 1.57,495 2.082,496 2.922,497 -0.314,499 1,501 1,502 44.974,503 1.451,504 3.316,505 4.168,506 4.607,507 4.672,508 4.672,509 2.469,510 3.617,511 4.052,512 2.994,513 407.154,514 6.856,515 3558.41,517 1,519 1,520 153.58,521 1.166,522 4.043,523 0.132,524 0.012,525 0.06,526 0.048,527 0.029,528 0.025,529 0.015,530 0.014,531 0.011,532 0.009,533 0.354,534 1,535 1,536 1.202,537 69.501,538 -0.022,539 -0.101,540 0.063,541 -0.034,542 -0.052,543 0.018,544 0.076,545 -0.072,546 0.055,547 0.002,548 0.115,549 0.017,550 -0.026,551 0.049,552 0.086,553 0.076,554 0.069,555 0.089,556 -0.223,557 0.026,558 -0.11,559 0.029,560 -0.252,561 -0.017,562 0.147,563 -0.128,564 -0.054,565 -0.171,566 0.107,567 -0.141,568 -0.164,569 -0.072,570 -0.156,571 -0.109,572 -0.183,573 -0.125,574 -0.189,575 0.007,576 -0.218,577 -0.081,578 -0.219,579 -0.139,580 -0.087,581 -0.112,582 -0.224,583 -0.168,584 -0.087,585 -0.206,586 0.968,587 2.057,588 0.765,589 11.253,590 0.995,591 1.119,592 2.366,593 5.597,594 0.679,595 2.996,596 3.296,597 3.611,598 3.932,599 4.19,600 4.248,601 4.394,602 4.511,603 4.317,604 4.22,605 4.388,606 0.643,607 226.3,608 2.996,609 4.511,610 5.371,611 6.256,612 7.144,613 8.043,614 8.943,615 9.848,616 10.753,617 11.661,618 6.5,624 1,626 1,631 4,632 6,633 1,634 1,637 1,639 15,648 1,650 31,652 15,653 1,654 19,656 33,657 14,658 11,659 2,660 4,663 3,664 6,667 1,672 1,674 11,675 3,685 1,687 14,688 2,689 1,690 3,694 2,696 0.333,697 1,702 1,704 1,708 1,709 2,711 2,728 1,732 1,735 17,739 2,741 1,755 3.2,760 1,762 8.167,763 5.867,764 3.833,765 2.054,766 3.232,767 1.49,768 1.026,769 2.633,770 9.834,771 3.314,772 3.994,773 4.716,774 5.448,775 6.096,776 6.517,777 7.028,778 7.505,779 7.597,780 7.843,781 1,782 25,783 6.256,784 2.611,785 7.52,786 12.2,787 9.968,788 2.02,789 34.333,790 0.003,793 153.024,794 86.63,795 33.571,797 11,800 86.63,801 164.024,802 33.571,803 8.825,804 7.127,805 47.381,806 28.557,807 41.979,808 9.103,809 141.253,811 153.024,812 120.201,813 11,816 129.482,817 34.542,819 41.785,820 61.63,821 16.786,823 153.024,824 44.571,825 86.63,827 153.024,828 21.376,829 65.254,830 16.786,831 27.785,832 153.024,833 44.571,834 86.63,835 0.562,836 0.332,837 0.194,838 0.115,839 14,840 5,841 0.091,842 3,843 2,844 1.308,845 3.02,846 121.939,847 0.308,848 13,849 69.487,852 10.453,853 4.283,854 1.838,855 4.569,856 27.785,857 12.089,858 4.286,859 3.343,862 0.698,864 16.786,865 284.225,866 26.5,873 30.833,874 34.697,876 0.293,877 0.669,878 0.841,879 0.93,880 0.943,881 0.943,882 4.508,883 0.511,884 5.333,885 2.53,886 3.97,887 4.677,888 0.908,889 6.155,890 3.891,891 5.729,892 0.185,893 6.884,894 1.117,895 3.434,896 4.559,898 7.066,899 3.336,900 7.051,901 -0.514,902 8.544,903 0.332,904 5.549,905 7.058,906 0.739,907 10.222,908 5.407,909 8.422,910 -0.696,911 10.27,912 -1.113,913 5.916,914 7.862,916 12.037,917 5.769,918 9.832,919 -1,920 12.039,921 -1.844,922 7.458,923 9.793,924 0.593,925 14.693,926 7.278,927 11.272,928 -1,929 13.84,930 -2.139,931 8.263,932 11.027,934 16.874,935 8.083,936 12.735,937 -1.266,938 15.663,939 -2.862,940 9.568,941 12.733,942 0.469,943 19.366,944 9.364,945 3.212,946 -1.758,947 17.504,948 -3.148,949 10.578,950 14.162,952 21.689,953 10.368,954 2.497,955 11.12,956 19.358,957 -4.563,958 11.79,959 15.779,960 0.366,961 24.125,962 11.562,963 2.089,964 7.479,965 21.223,966 4.806,967 12.889,968 17.291,970 26.502,971 12.65,972 1.756,973 6.388,974 23.097,975 3.544,976 14.068,977 18.877,978 0.283,979 28.92,980 13.812,981 1.438,982 5.275,983 24.978,984 2.895,985 15.205,986 20.422,988 31.317,989 14.934,990 1.37,991 3.065,992 26.864,993 2.614,994 16.373,995 21.997,996 0.217,997 33.729,998 16.086,999 1,1000 2.665,1001 28.755,1002 2.09,1003 17.526,1004 23.556,1006 36.133,1007 17.223,1008 2331,1009 3600,1010 13.118,1011 21.034,1012 27.999,1013 28.452,1014 28.968,1015 28.079,1016 28.118,1017 39.651,1018 1.72,1019 79.943,1020 26.957,1021 5.492,1022 5.231,1023 6.623,1024 5.249,1025 5.212,1026 7.806,1027 1.72,1028 18.124,1029 5.15,1030 5.178,1031 1.474,1032 1.497,1033 1.525,1034 1.478,1035 1.48,1036 2.087,1037 0.091,1038 4.208,1039 1.419,1040 4.205,1041 4.235,1042 4.175,1043 4.122,1044 5.108,1045 4.131,1046 3.695,1047 3.735,1048 3.621,1049 3.567,1050 4.747,1051 3.573,1052 3.563,1053 3.628,1054 3.397,1055 3.416,1056 4.376,1057 3.399,1058 3.2,1059 3.265,1060 3.095,1061 2.994,1062 4.084,1063 3.013,1064 2.958,1065 3.019,1066 2.854,1067 2.823,1068 3.873,1069 2.825,1070 2.874,1071 2.962,1072 2.688,1073 2.668,1074 3.81,1075 2.662,1076 2.714,1077 2.794,1078 2.49,1079 2.542,1080 3.452,1081 2.514,1082 2.247,1083 2.336,1084 2.106,1085 2.058,1086 3.033,1087 2.065,1088 0.248,1089 0.17,1090 0.356,1091 0.221,1092 0.169,1093 4.708,1094 0.253,1095 3.231,1096 0.045,1097 6.76,1098 0.585,1099 4.193,1100 0.166,1101 3.212,1102 4.806,1103 0.86,1104 11.12,1105 3.15,1106 1.968,1107 1.95,1108 2.049,1109 2.036,1110 1.194,1111 2.039,1112 1.823,1113 1.784,1114 1.929,1115 1.991,1116 1.129,1117 1.972,1118 1.595,1119 1.526,1120 1.87,1121 1.799,1122 0.969,1123 1.831,1124 1.141,1125 1.083,1126 1.366,1127 1.389,1128 0.468,1129 1.381,1130 0.965,1131 0.912,1132 1.286,1133 1.211,1134 0.365,1135 1.243,1136 0.87,1137 0.792,1138 1.145,1139 1.081,1140 0.192,1141 1.104,1142 0.672,1143 0.604,1144 0.94,1145 0.846,1146 0.051,1147 0.882,1148 0.54,1149 0.447,1150 0.826,1151 0.821,1153 0.837,1154 3.664,1156 4.963,1157 2.398,1158 6.479,1159 4.844,1160 8.098,1161 7.05,1162 9.773,1164 2.088,1169 1.703,1171 5.557,1179 19.918,1180 44.974,1181 102.809,1182 129.216,1183 142.825,1184 144.825,1185 144.825,1186 16.058,1187 6.601,1188 37.91,1189 37.91,1190 17,1191 12.178,1192 4,1193 3.087,1194 23.749,1195 44,1196 54,1197 0.28,1198 122.903,1199 195.93,1200 291.645,1201 5445,1203 11.665,1204 0.686,1205 0.573,1206 11.665,1207 9.734,1208 8.381,1209 0.441,1210 0.309,1211 5.809,1212 8.12,1213 5.665,1214 4.739,1215 8.381,1216 5.875,1217 7.189,1218 0.277,1219 0.157,1220 7.189,1221 4.087,1222 6.246,1223 0.173,1224 0.078,1225 6.246,1226 2.82,1227 5.413,1228 0.108,1229 0.04,1230 5.413,1231 2.016,1232 4.676,1233 0.072,1234 0.022,1235 4.676,1236 1.402,1237 0.42,1238 52.059,1239 0.276,1240 16.958,1241 0.813,1242 90,1243 237.714,1244 97.428,1245 231.565,1246 329.81,1247 220,1248 107,1249 254.173,1250 114.513,1251 257.385,1252 380.45,1253 244,1254 6.228}
{0 CHEMBL499964,1 1.531,2 21.036,3 8.928,4 79.715,5 206.89,6 8.331,7 0.548,8 4.585,9 4.676,10 4.258,11 4.183,12 5.79,13 4.186,14 5.094,15 5.224,16 4.62,17 4.562,18 6.279,19 4.556,20 5.335,21 5.49,22 4.79,23 4.757,24 6.504,25 4.733,26 5.432,27 5.594,28 4.824,29 4.811,30 6.615,31 4.781,32 5.512,33 5.687,34 4.801,35 4.826,36 6.712,37 4.787,38 5.497,39 5.687,40 4.754,41 4.813,42 6.609,43 4.76,44 5.469,45 5.662,46 4.673,47 4.738,48 6.636,49 4.683,50 5.398,51 5.595,52 4.501,53 4.57,54 6.635,55 4.511,56 0.06,57 1.179,58 13.32,59 7.251,60 19.764,61 8.215,62 0.601,63 1.979,64 27.02,65 11.828,66 55.683,67 13.114,68 0.839,69 2.512,70 36.878,71 15.793,72 69.436,73 18.836,74 0.646,75 2.801,76 40.155,77 17.196,78 80.637,79 20.483,80 1.169,81 2.918,82 48.454,83 19.053,84 146.122,85 21.932,86 0.737,87 2.908,88 47.362,89 19.464,90 80.107,91 23.96,92 0.694,93 2.756,94 47.554,95 19.392,96 97.7,97 23.468,98 1.062,99 2.499,100 47.156,101 17.949,102 148.932,103 20.808,104 21,105 87,106 0.222,107 0.551,108 0.655,109 0.735,110 0.744,111 0.744,112 4.027,113 0.847,114 -5.64,115 -5.51,116 -5.14,118 50.6,124 6,132 2,133 2,135 16,136 6,137 2,139 2,144 2,148 2,149 2,151 2,159 24,161 4,162 8,166 28,168 8,169 10,173 24,175 6,176 16,180 16,183 6,184 16,187 18,190 3,191 20,195 20,197 2,198 20,202 16,203 4,204 18,208 8,210 2,211 18,215 2,216 7270,217 38.413,218 38.413,219 38.413,220 38.413,221 38.413,222 33.66,223 41.774,224 22.784,225 39.214,226 30.52,227 30.52,228 30.52,229 30.52,230 30.52,231 23.01,232 46.239,233 10.664,234 31.758,235 4.912,236 2.645,237 1.925,238 1.374,239 1.31,240 1.31,241 4.753,247 2598,248 4.796,251 237.671,252 627.316,253 320.165,255 473.323,256 524.523,258 2.872,259 57.762,262 0.25,263 0.33,264 0.5,265 0.2,267 0.5,268 0.5,269 0.33,270 118,271 1157,272 4.656,273 3.712,274 6.951,275 4.263,276 3.302,277 4.371,278 1.674,279 11.769,280 3.18,281 4.656,282 3.711,283 6.951,284 4.263,285 3.302,286 4.371,287 1.674,288 11.769,289 3.18,290 4.344,291 3.392,292 6.571,293 3.955,294 2.978,295 3.954,296 0.86,297 10.387,298 2.9,299 4.344,300 3.392,301 6.571,302 3.955,303 2.978,304 3.954,305 0.795,306 10.387,307 2.9,308 4.037,309 2.96,310 6.037,311 3.597,312 2.614,313 3.581,314 0.795,315 8.527,316 2.572,317 4.037,318 2.959,319 6.037,320 3.597,321 2.613,322 3.581,324 8.527,325 2.572,326 3.82,327 2.858,328 5.501,329 3.35,330 2.377,331 3.124,333 7.084,334 2.304,335 3.819,336 2.858,337 5.501,338 3.348,339 2.374,340 3.124,342 7.083,343 2.303,344 3.505,345 2.468,346 5.176,347 3.029,348 2.058,349 2.801,350 6.081,351 1.993,352 3.503,353 2.447,354 5.176,355 3.021,356 2.042,357 2.801,358 6.08,359 1.989,360 3.319,361 2.415,362 4.826,363 2.856,364 1.901,365 2.505,366 5.077,367 1.813,368 3.317,369 2.094,370 4.825,371 2.845,372 1.88,373 2.503,374 5.074,375 1.808,376 2.971,377 2.094,378 4.192,379 2.66,380 1.754,381 1.913,382 3.802,383 1.564,384 2.962,385 1.92,386 4.178,387 2.349,388 1.419,389 1.903,390 3.499,391 1.34,392 2.823,393 1.595,394 3.967,395 2.342,396 1.358,397 1.838,398 3.199,399 1.336,400 26.067,401 0.474,402 1.068,403 0.019,404 78.5,405 1.427,406 42,407 0.764,408 36.5,409 0.664,410 48.726,411 0.886,412 54.333,413 0.625,414 76.33,415 1.388,416 16.153,417 0.294,418 10.88,419 0.198,420 0.064,422 0.338,424 0.765,425 1.231,426 0.663,427 1.009,428 0.632,429 0.855,430 1.067,431 1.002,432 0.884,433 0.849,434 0.683,435 0.833,436 0.819,437 1,438 0.845,439 0.876,440 0.646,441 0.868,442 0.916,443 1.133,444 0.973,445 1.064,446 1.114,447 1.03,448 1.242,449 0.965,450 1.083,451 0.892,452 1.3,453 0.947,454 0.916,455 1.011,456 0.996,457 1.022,458 0.757,459 1.014,460 1.115,461 1.009,462 1.044,463 1.063,464 1.209,465 1.043,466 1.44,467 0.968,468 1.2,469 1.034,470 1.593,471 1.071,472 7.5,473 0.22,474 6.444,475 4.069,476 3.119,477 2.286,478 1.61,479 1.012,480 0.663,481 0.35,482 78266,483 210526,484 2.172,485 36.8,487 28,488 2,489 2,494 1.866,495 2.075,496 4.281,497 -0.796,502 133.202,503 1.531,504 3.798,505 4.518,506 5.069,507 5.133,508 5.133,509 3.644,510 4.509,511 5.761,512 4.537,513 6737.94,514 10.224,515 161437,520 560.536,521 1.245,522 5.732,523 0.121,524 0.004,525 0.074,526 0.04,527 0.03,528 0.023,529 0.017,530 0.012,531 0.01,532 0.006,533 0.337,534 0.17,535 0.5,536 0.554,537 348.652,538 -0.022,539 -0.204,540 0.065,541 -0.092,542 -0.046,543 -0.019,544 0.007,545 0.053,546 -0.029,547 0.071,548 -0.006,549 0.025,550 0.159,551 0.037,552 0.057,553 0.069,554 0.083,555 0.044,556 0.031,557 -0.082,558 -0.064,559 -0.125,560 -0.089,561 -0.115,562 -0.029,563 0.052,564 -0.095,565 0.072,566 -0.087,567 -0.007,568 0.017,569 -0.003,570 -0.017,571 -0.043,572 0.042,573 -0.031,574 -0.051,575 -0.032,576 -0.029,577 -0.067,578 -0.061,579 -0.044,580 -0.05,581 -0.004,582 -0.117,583 -0.031,584 -0.116,585 -0.073,586 2.264,587 6.191,588 0.727,589 82.75,590 1.008,591 1.108,592 4.413,593 19.478,594 0.715,595 4.143,596 4.477,597 4.828,598 5.147,599 5.425,600 5.649,601 5.866,602 6.054,603 6.209,604 6.286,605 12.623,606 0.696,607 724.82,608 4.143,609 5.7,610 6.581,611 7.477,612 8.378,613 9.287,614 10.198,615 11.114,616 12.03,617 12.95,618 6.9,624 2,625 2,626 2,632 18,633 2,637 12,638 2,639 34,640 2,643 2,650 87,652 40,653 4,654 62,656 94,657 44,658 30,659 8,660 16,661 4,663 8,664 14,673 4,674 34,675 6,677 4,680 2,682 2,683 4,687 32,688 9,690 11,692 2,694 6,696 0.5,697 5,708 2,709 4,710 2,712 2,713 2,715 2,716 2,727 1,728 4,735 55,739 6,741 3,747 2,748 2,753 2,755 5.7,758 2,759 1,760 2,762 26.5,763 16.2,764 12.222,765 5.144,766 6.396,767 1.615,768 1.025,769 10.128,770 16.792,771 4.477,772 5.066,773 5.729,774 6.343,775 6.891,776 7.341,777 7.851,778 8.296,779 8.744,780 9.123,781 1,782 102,783 20.348,784 8.831,785 7.776,786 38.368,787 31.682,788 2.276,789 125.167,793 376.675,794 327.692,795 70.94,797 83.29,800 327.692,801 459.965,802 70.94,804 22.581,805 151.62,806 155.536,807 89.509,808 109.759,809 329.591,811 376.675,812 398.632,813 83.29,816 376.675,817 72.29,818 11,819 82.701,820 248.299,821 67.632,823 376.675,824 154.23,825 327.692,827 376.675,828 78.131,829 172.655,830 34.061,831 197.074,832 376.675,833 154.23,834 327.692,835 0.575,836 0.351,837 0.199,838 0.112,839 42,840 18,841 0.128,842 12,843 4,844 1.2,845 6.142,846 635.494,847 0.2,848 40,849 255.975,852 35.372,853 15.748,854 7.067,856 150.432,857 34.14,858 8.768,862 8.101,863 3.69,865 858.597,866 87,869 26.381,871 9.77,872 0.339,873 87.734,874 96.434,876 0.238,877 0.59,878 0.701,879 0.787,880 0.797,881 0.797,882 5.728,883 2.374,884 6.558,885 7.084,886 5.165,887 5.756,888 2.786,889 7.413,890 5.093,891 6.947,892 2.058,893 8.138,894 7.083,895 4.691,896 5.472,898 8.412,899 4.61,900 8.262,901 2.042,902 9.824,903 6.081,904 6.788,905 7.965,906 3.559,907 11.576,908 6.655,909 9.616,910 1.901,911 11.577,912 6.08,913 7.216,914 8.587,916 13.445,917 7.064,918 11.005,919 1.88,920 13.373,921 5.077,922 8.723,923 10.473,924 4.51,925 16.12,926 8.531,927 12.42,928 1.754,929 15.198,930 5.074,931 9.559,932 11.514,934 18.325,935 9.336,936 13.855,937 1.419,938 17.044,939 3.802,940 10.845,941 13.152,942 5.519,943 20.845,944 10.586,945 3.302,946 1.358,947 18.905,948 3.499,949 11.867,950 14.398,952 23.186,953 11.57,954 3.302,955 11.769,956 20.777,957 3.199,958 13.072,959 15.928,960 6.543,961 25.654,962 12.74,963 2.978,964 11.769,965 22.659,966 4.371,967 14.177,968 17.276,970 28.054,971 13.805,972 2.978,973 10.387,974 24.547,975 4.371,976 15.356,977 18.761,978 7.573,979 30.507,980 14.948,981 2.614,982 10.387,983 26.442,984 3.954,985 16.498,986 20.162,988 32.934,989 16.051,990 2.613,991 8.527,992 28.341,993 3.954,994 17.672,995 21.629,996 8.603,997 35.384,998 17.186,999 2.377,1000 8.527,1001 30.245,1002 3.581,1003 18.833,1004 23.057,1006 37.824,1007 18.308,1008 70688,1009 116240,1010 42.649,1011 62.205,1012 95.839,1013 95.891,1014 95.877,1015 92.562,1016 92.617,1017 125.028,1018 11.598,1019 269.638,1020 89.211,1021 5.619,1022 5.712,1023 6.814,1024 5.384,1025 5.302,1026 7.371,1027 3.349,1028 19.472,1029 5.18,1030 22.054,1031 1.546,1032 1.547,1033 1.546,1034 1.493,1035 1.494,1036 2.017,1037 0.187,1038 4.349,1039 1.439,1040 4.137,1041 4.172,1042 4.107,1043 4.036,1044 7.435,1045 4.046,1046 4.079,1047 4.116,1048 4.053,1049 3.98,1050 7.431,1051 3.991,1052 3.874,1053 3.907,1054 3.82,1055 3.798,1056 5.453,1057 3.796,1058 3.871,1059 3.903,1060 3.816,1061 3.797,1062 5.442,1063 3.795,1064 3.774,1065 3.797,1066 3.727,1067 3.667,1068 4.988,1069 3.684,1070 3.768,1071 3.792,1072 3.723,1073 3.664,1074 4.947,1075 3.681,1076 3.631,1077 3.668,1078 3.512,1079 3.385,1080 4.773,1081 3.407,1082 3.443,1083 3.473,1084 3.362,1085 3.237,1086 4.767,1087 3.256,1088 0.075,1089 0.06,1090 0.112,1091 0.069,1092 0.053,1093 4.656,1094 0.07,1095 3.712,1096 0.027,1097 6.951,1098 0.19,1099 4.263,1100 0.051,1101 3.302,1102 4.371,1103 1.674,1104 11.769,1105 3.18,1106 1.976,1107 1.955,1108 2.057,1109 2.046,1110 1.18,1111 2.05,1112 1.976,1113 1.955,1114 2.057,1115 2.046,1116 1.18,1117 2.05,1118 1.856,1119 1.829,1120 1.963,1121 1.949,1122 1.063,1123 1.954,1124 1.856,1125 1.829,1126 1.963,1127 1.948,1128 1.062,1129 1.954,1130 1.632,1131 1.606,1132 1.811,1133 1.865,1134 1.035,1135 1.842,1136 1.616,1137 1.588,1138 1.729,1139 1.797,1140 0.932,1141 1.775,1142 1.528,1143 1.479,1144 1.708,1145 1.744,1146 0.919,1147 1.737,1148 1.399,1149 1.354,1150 1.632,1151 1.662,1152 0.895,1153 1.642,1154 4.828,1156 6.159,1157 3.045,1158 7.686,1159 5.533,1160 9.304,1161 7.743,1162 10.976,1169 0.515,1171 16.646,1177 11.432,1178 5.385,1179 60.551,1180 133.202,1181 330.458,1182 393.026,1183 441.026,1184 446.536,1185 446.536,1186 101.932,1187 10.397,1188 122.19,1189 122.19,1190 48,1191 13.46,1192 5.358,1193 4.7,1194 78.28,1195 442,1196 316,1197 0.085,1198 364.176,1199 652.07,1200 880.349,1201 796204,1203 37.727,1204 0.686,1205 0.537,1206 37.727,1207 29.514,1208 27.034,1209 0.436,1210 0.282,1211 17.257,1212 26.06,1213 16.939,1214 13.938,1215 27.034,1216 17.507,1217 23.546,1218 0.271,1219 0.144,1220 23.546,1221 12.518,1222 21.306,1223 0.172,1224 0.075,1225 21.306,1226 9.265,1227 18.407,1228 0.108,1229 0.039,1230 18.407,1231 6.646,1232 15.287,1233 0.068,1234 0.02,1235 15.287,1236 4.569,1237 0.141,1238 169.064,1239 0.153,1240 47.212,1241 0.213,1242 298,1243 902.548,1244 325.103,1245 872.798,1246 1208.96,1247 822,1248 360,1249 896.72,1250 389.496,1251 910.134,1252 1347.2,1253 858,1254 5.301}
{0 CHEMBL505497,1 1.685,2 18.578,3 4.392,4 19.285,5 158.199,6 8.763,7 0.44,8 4.375,9 4.463,10 4.078,11 3.885,12 5.644,13 3.924,14 4.901,15 5.037,16 4.471,17 4.276,18 6.177,19 4.31,20 5.097,21 5.214,22 4.667,23 4.523,24 6.4,25 4.537,26 5.359,27 5.516,28 4.712,29 4.571,30 6.711,31 4.578,32 5.271,33 5.434,34 4.581,35 4.491,36 6.565,37 4.486,38 5.231,39 5.409,40 4.459,41 4.325,42 6.614,43 4.322,44 5.085,45 5.27,46 4.254,47 4.112,48 6.529,49 4.12,50 4.842,51 4.992,52 4.073,53 3.968,54 6.192,55 3.96,56 0.21,57 1.026,58 9.463,59 5.591,60 23.671,61 5.792,62 1.09,63 1.668,64 22.741,65 8.677,66 62.175,67 9.081,68 0.653,69 2.051,70 22.506,71 11.921,72 60.538,73 12.975,74 1.667,75 2.42,76 39.776,77 15.217,78 170.389,79 16.374,80 1.241,81 2.249,82 35.163,83 13.852,84 114.282,85 15.039,86 1.287,87 2.043,88 36.559,89 13.734,90 152.246,91 15.52,92 1.692,93 1.63,94 37.132,95 11.782,96 194.517,97 12.566,98 0.788,99 1.345,100 22.671,101 9.75,102 119.31,103 10.406,104 69,105 73,106 0.258,107 0.631,108 0.724,109 0.745,110 0.745,111 0.745,112 3.832,113 0.809,114 -4.13,115 -4.08,116 -3.86,118 46.4,123 2,124 2,125 2,132 2,133 2,135 6,136 4,137 2,139 2,144 2,149 4,151 2,159 12,161 8,162 8,166 14,168 6,169 8,173 12,175 11,176 14,180 4,183 6,184 14,190 6,191 16,197 8,198 10,203 3,204 10,210 6,211 8,216 4092,217 30.447,218 30.447,219 30.447,220 30.447,221 30.447,222 27.379,223 39.372,224 17.381,225 31.027,226 24.46,227 24.46,228 24.46,229 24.46,230 24.46,231 19.137,232 38.75,233 8.027,234 25.293,235 4.423,236 1.983,237 1.377,238 1.239,239 1.239,240 1.239,241 4.539,247 1842,248 4.583,251 179.208,252 231.89,253 245.391,255 361.817,256 405.651,258 2.406,259 68.583,262 0.5,263 0.5,264 0.67,265 0.2,267 0.67,268 1,269 0.5,270 100,271 836,272 4.644,273 3.772,274 6.946,275 4.269,276 3.308,277 4.348,278 1.827,279 11.728,280 3.183,281 4.644,282 3.77,283 6.946,284 4.269,285 3.308,286 4.348,287 1.718,288 11.728,289 3.183,290 4.285,291 3.672,292 6.483,293 3.903,294 2.917,295 3.889,296 1.23,297 9.995,298 2.862,299 4.284,300 3.665,301 6.483,302 3.9,303 2.915,304 3.889,305 1.23,306 9.994,307 2.86,308 3.885,309 3.124,310 5.931,311 3.474,312 2.512,313 3.178,314 1.168,315 8.03,316 2.424,317 3.885,318 3.119,319 5.931,320 3.474,321 2.512,322 3.178,323 0.521,324 8.029,325 2.424,326 3.743,327 2.903,328 5.505,329 3.355,330 2.382,331 2.998,332 0.521,333 7.064,334 2.297,335 3.739,336 2.901,337 5.503,338 3.344,339 2.37,340 2.996,341 0.416,342 7.061,343 2.286,344 3.445,345 2.56,346 5.198,347 3.062,348 2.085,349 2.574,350 6.213,351 2.024,352 3.435,353 2.531,354 5.197,355 3.033,356 2.056,357 2.564,358 6.206,359 1.994,360 2.973,361 2.492,362 4.515,363 2.662,364 1.677,365 1.904,366 4.119,367 1.65,368 2.966,369 1.989,370 4.503,371 2.404,372 1.443,373 1.877,374 3.971,375 1.378,376 2.83,377 1.979,378 4.093,379 2.318,380 1.334,381 1.71,382 3.308,383 1.304,384 2.794,385 1.787,386 4.086,387 2.106,388 1.162,389 1.592,390 3.123,391 1.092,392 2.643,393 1.501,394 3.996,395 2.103,396 1.158,397 1.586,398 3.115,399 1.09,400 20.733,401 0.461,402 1.22,403 0.027,404 61.5,405 1.367,406 30,407 0.667,408 31.5,409 0.7,410 38.773,411 0.862,412 46.467,413 0.673,414 61.251,415 1.361,416 12.908,417 0.287,418 8.802,419 0.196,420 0.161,422 0.415,424 0.768,425 1.482,426 0.622,427 1.147,428 0.588,429 0.908,430 0.894,431 0.789,432 0.778,433 0.568,434 0.584,435 0.601,436 0.704,437 1.23,438 0.803,439 1.169,440 0.705,441 1.048,442 1.108,443 0.986,444 1.048,445 0.954,446 1.388,447 0.982,448 1.112,449 1.077,450 1.129,451 1.078,452 1.096,453 1.097,454 1.108,455 1.121,456 1.109,457 1.221,458 1.076,459 1.174,460 1.465,461 0.64,462 1.148,463 0.714,464 1.221,465 0.817,466 1.211,467 1.291,468 1.227,469 1.464,470 1.095,471 1.39,472 8.5,473 0.237,474 6.444,475 3.944,476 3.857,477 2.453,478 1.347,479 0.632,480 0.491,481 0.341,482 41258,483 129528,484 2.079,485 34.8,487 16,488 6,489 2,494 1.821,495 1.915,496 4.062,497 -0.707,502 116.288,503 1.685,504 4.126,505 4.731,506 4.869,507 4.869,508 4.869,509 3.469,510 4.514,511 5.47,512 4.277,513 4234,514 9.648,515 83993.4,520 421.488,521 1.497,522 5.408,523 0.17,524 0.006,525 0.088,526 0.045,527 0.044,528 0.032,529 0.021,530 0.012,531 0.012,532 0.009,533 0.439,534 0.33,535 0.63,536 0.765,537 267.464,538 -0.066,539 -0.372,540 0.063,541 -0.189,542 -0.054,543 -0.067,544 0.091,545 0.324,546 0.082,547 0.354,548 0.041,549 0.257,550 0.047,551 -0.151,552 -0.031,553 -0.203,554 0.033,555 -0.158,556 0.011,557 0.013,558 -0.067,559 0.012,560 -0.164,561 -0.041,562 -0.098,563 -0.062,564 -0.168,565 -0.115,566 -0.112,567 -0.15,568 0.01,569 -0.162,570 -0.06,571 -0.242,572 0.043,573 -0.181,574 -0.03,575 0.261,576 0.015,577 0.276,578 0.039,579 0.189,580 -0.048,581 -0.37,582 -0.221,583 -0.462,584 -0.08,585 -0.41,586 2.46,587 5.958,588 0.622,589 55.526,590 1.027,591 1.119,592 2.901,593 8.414,594 0.697,595 3.932,596 4.304,597 4.654,598 4.956,599 5.231,600 5.464,601 5.602,602 5.707,603 5.844,604 5.878,605 10.414,606 0.694,607 604.62,608 3.932,609 5.509,610 6.399,611 7.307,612 8.216,613 9.133,614 10.05,615 10.97,616 11.891,617 12.814,618 8.7,623 2,624 2,626 2,632 8,633 2,637 10,638 2,639 22,642 2,643 2,650 69,652 28,653 2,654 50,656 74,657 32,658 18,659 6,660 6,661 4,663 6,664 12,673 4,674 22,675 6,677 4,680 4,683 4,687 24,688 11,690 13,692 2,694 6,696 0.333,697 7,708 2,709 2,710 2,712 2,713 2,715 2,716 2,727 1,728 2,732 2,735 45,739 4,741 3,744 2,747 2,748 2,753 2,755 10.1,758 4,759 1,760 2,762 23.5,763 13.7,764 9.889,765 3.781,766 4.755,767 1.494,768 0.994,769 8.013,770 14.377,771 4.248,772 4.832,773 5.49,774 6.072,775 6.586,776 7.046,777 7.46,778 7.779,779 8.128,780 8.432,781 1,782 88,783 16.724,784 7.385,785 8.052,786 30.545,787 24.956,788 2.552,789 114.833,793 282.506,794 242.178,795 43.618,797 133.579,800 242.178,801 416.086,802 43.618,803 16.793,804 23.761,805 56.857,806 209.722,807 49.567,808 156.844,809 188.338,811 282.506,812 285.796,813 133.579,816 282.506,817 122.579,818 11,819 50.309,820 167.854,821 67.632,823 282.506,824 177.197,825 242.178,827 282.506,828 70.587,829 100.934,830 34.061,831 213.793,832 282.506,833 177.197,834 242.178,835 0.59,836 0.367,837 0.198,838 0.113,839 36,840 18,841 0.108,842 8,843 4,844 1.286,845 5.215,846 485.156,847 0.286,848 28,849 199.133,852 29.871,853 12.071,854 5.389,856 173.399,857 12.877,858 8.416,862 3.789,863 3.281,865 701.881,866 69,869 51.704,872 -2.104,873 70.854,874 77.192,876 0.276,877 0.675,878 0.775,879 0.797,880 0.797,881 0.797,882 5.531,883 2.37,884 6.412,885 7.064,886 4.99,887 5.521,888 3.157,889 7.295,890 4.926,891 6.765,892 2.085,893 8.021,894 7.061,895 4.691,896 5.407,897 0.57,898 8.334,899 4.599,900 8.096,901 2.056,902 9.731,903 6.213,904 6.658,905 7.736,906 3.961,907 11.485,908 6.528,909 9.461,910 1.677,911 11.498,912 6.206,913 7.186,914 8.479,915 1.16,916 13.341,917 7.026,918 10.859,919 1.443,920 13.302,921 4.119,922 8.626,923 10.264,924 4.96,925 16.022,926 8.43,927 12.281,928 1.334,929 15.13,930 3.971,931 9.512,932 11.382,933 1.692,934 18.211,935 9.282,936 13.72,937 1.162,938 16.977,939 3.308,940 10.769,941 12.965,942 6.047,943 20.736,944 10.502,945 3.308,946 1.158,947 18.837,948 3.123,949 11.815,950 14.257,951 2.193,952 23.07,953 11.512,954 3.308,955 11.728,956 20.709,957 3.115,958 13.009,959 15.76,960 7.176,961 25.542,962 12.669,963 2.917,964 11.728,965 22.588,966 4.348,967 14.127,968 17.135,969 2.675,970 27.939,971 13.749,972 2.915,973 9.995,974 24.475,975 4.348,976 15.304,977 18.606,978 8.325,979 30.394,980 14.888,981 2.512,982 9.994,983 26.368,984 3.889,985 16.455,986 20.022,987 3.145,988 32.82,989 16,990 2.512,991 8.03,992 28.266,993 3.889,994 17.631,995 21.482,996 9.486,997 35.271,998 17.136,999 2.382,1000 8.029,1001 30.168,1002 3.178,1003 18.799,1004 22.918,1005 3.605,1006 37.712,1007 18.264,1008 38226,1009 67964,1010 32.945,1011 48.068,1012 79.799,1013 81.05,1014 80.672,1015 76.052,1016 75.938,1017 99.476,1018 17.264,1019 229.806,1020 73.613,1021 5.598,1022 5.772,1023 6.715,1024 5.343,1025 5.308,1026 7.348,1027 3.653,1028 19.395,1029 5.183,1030 27.137,1031 1.596,1032 1.621,1033 1.613,1034 1.521,1035 1.519,1036 1.99,1037 0.345,1038 4.596,1039 1.472,1040 4.116,1041 4.153,1042 4.088,1043 3.993,1044 7.437,1045 4.009,1046 4.068,1047 4.105,1048 4.042,1049 3.949,1050 7.431,1051 3.965,1052 3.787,1053 3.809,1054 3.754,1055 3.671,1056 7.427,1057 3.69,1058 3.78,1059 3.804,1060 3.747,1061 3.668,1062 7.426,1063 3.686,1064 3.548,1065 3.591,1066 3.469,1067 3.292,1068 5.451,1069 3.328,1070 3.52,1071 3.583,1072 3.446,1073 3.283,1074 5.442,1075 3.316,1076 3.482,1077 3.516,1078 3.397,1079 3.167,1080 4.931,1081 3.211,1082 3.294,1083 3.303,1084 3.247,1085 3.139,1086 4.898,1087 3.142,1088 0.093,1089 0.075,1090 0.139,1091 0.085,1092 0.066,1093 4.644,1094 0.087,1095 3.772,1096 0.037,1097 6.946,1098 0.235,1099 4.269,1100 0.064,1101 3.308,1102 4.348,1103 1.827,1104 11.728,1105 3.183,1106 1.938,1107 1.919,1108 2.008,1109 2.022,1110 1.138,1111 2.017,1112 1.938,1113 1.919,1114 2.007,1115 2.022,1116 1.138,1117 2.017,1118 1.661,1119 1.623,1120 1.809,1121 1.881,1122 1.028,1123 1.857,1124 1.657,1125 1.616,1126 1.808,1127 1.871,1128 1.027,1129 1.852,1130 1.42,1131 1.391,1132 1.608,1133 1.757,1134 0.694,1135 1.704,1136 1.384,1137 1.35,1138 1.543,1139 1.648,1140 0.623,1141 1.591,1142 1.381,1143 1.344,1144 1.521,1145 1.562,1146 0.614,1147 1.549,1148 1.365,1149 1.327,1150 1.464,1151 1.56,1152 0.471,1153 1.549,1154 4.615,1156 5.974,1157 3.045,1158 7.518,1159 5.533,1160 9.149,1161 7.758,1162 10.83,1164 3.208,1169 -0.905,1171 15.641,1174 2.896,1177 10.999,1178 5.032,1179 47.873,1180 116.288,1181 284.675,1182 326.469,1183 335.978,1184 335.978,1185 335.978,1186 106.462,1187 9.622,1188 138.09,1189 138.09,1190 36,1191 13.321,1192 4.858,1193 4.322,1194 69.087,1195 296,1196 257,1197 0.114,1198 289.411,1199 524.41,1200 697.924,1201 302322,1203 31.827,1204 0.707,1205 0.537,1206 31.827,1207 24.143,1208 21.71,1209 0.434,1210 0.27,1211 13.181,1212 20.554,1213 12.856,1214 10.637,1215 21.71,1216 13.489,1217 19.705,1218 0.27,1219 0.14,1220 19.705,1221 10.198,1222 17.963,1223 0.173,1224 0.072,1225 17.963,1226 7.44,1227 14.759,1228 0.105,1229 0.037,1230 14.759,1231 5.186,1232 12.22,1233 0.066,1234 0.019,1235 12.22,1236 3.568,1237 0.187,1238 138.688,1239 0.174,1240 40.011,1241 0.291,1242 246,1243 870.019,1244 278.694,1245 822.778,1246 1108.56,1247 766,1248 300,1249 802.697,1250 334.925,1251 814.485,1252 1203.26,1253 756,1254 7.118}
{0 CHEMBL505768,1 1.507,2 19.321,3 9.122,4 83.204,5 200.712,6 8.371,7 0.567,8 4.538,9 4.63,10 4.217,11 4.157,12 5.748,13 4.156,14 5.041,15 5.17,16 4.589,17 4.543,18 6.23,19 4.532,20 5.297,21 5.454,22 4.762,23 4.738,24 6.454,25 4.712,26 5.41,27 5.571,28 4.801,29 4.786,30 6.608,31 4.758,32 5.447,33 5.615,34 4.767,35 4.807,36 6.636,37 4.767,38 5.471,39 5.658,40 4.731,41 4.8,42 6.624,43 4.744,44 5.436,45 5.637,46 4.638,47 4.729,48 6.589,49 4.666,50 5.362,51 5.564,52 4.482,53 4.562,54 6.599,55 4.495,56 0.039,57 1.114,58 12.39,59 6.745,60 18.282,61 7.712,62 0.487,63 1.889,64 24.477,65 11.06,66 48.633,67 12.559,68 0.529,69 2.434,70 34.481,71 15.167,72 59.239,73 18.325,74 0.786,75 2.724,76 39.671,77 16.539,78 85.648,79 19.168,80 0.807,81 2.772,82 42.863,83 17.61,84 119.775,85 20.022,86 0.68,87 2.845,88 45.272,89 18.821,90 97.212,91 22.849,92 0.594,93 2.729,94 45.645,95 18.654,96 84.009,97 22.95,98 0.714,99 2.461,100 44.039,101 17.636,102 131.279,103 21.171,104 21,105 85,106 0.22,107 0.554,108 0.665,109 0.735,110 0.745,111 0.745,112 3.991,113 0.846,114 -6.2,115 -6.04,116 -5.62,118 51.8,120 1,124 4,132 2,133 2,135 16,136 6,137 2,139 2,144 2,148 2,149 2,151 2,159 24,161 4,162 10,166 28,168 6,169 10,173 24,175 7,176 18,180 16,183 4,184 18,187 18,190 2,191 22,195 20,197 2,198 22,202 16,203 3,204 18,208 12,210 4,211 14,215 8,216 6440,217 36.999,218 36.999,219 36.999,220 36.999,221 36.999,222 32.246,223 40.249,224 21.784,225 37.632,226 29.52,227 29.52,228 29.52,229 29.52,230 29.52,231 22.01,232 45.276,233 10.164,234 30.512,235 4.868,236 2.582,237 1.825,238 1.343,239 1.277,240 1.277,241 4.718,247 2304,248 4.583,251 218.199,252 581.431,253 293.986,255 434.734,256 482.802,258 2.68,259 54.34,262 0.5,263 0.17,264 0.67,265 0.3,267 0.83,268 1,269 0.5,270 113,271 1024,272 4.656,273 3.713,274 6.951,275 4.263,276 3.302,277 4.371,278 1.674,279 11.769,280 3.18,281 4.656,282 3.709,283 6.951,284 4.263,285 3.302,286 4.371,287 1.674,288 11.769,289 3.18,290 4.344,291 3.392,292 6.571,293 3.956,294 2.979,295 3.954,296 0.795,297 10.388,298 2.9,299 4.344,300 3.391,301 6.571,302 3.955,303 2.977,304 3.954,305 0.795,306 10.387,307 2.9,308 4.037,309 2.96,310 6.037,311 3.597,312 2.614,313 3.581,315 8.528,316 2.572,317 4.037,318 2.958,319 6.036,320 3.596,321 2.612,322 3.581,324 8.527,325 2.572,326 3.821,327 2.858,328 5.501,329 3.353,330 2.381,331 3.125,333 7.085,334 2.306,335 3.818,336 2.858,337 5.5,338 3.345,339 2.37,340 3.124,342 7.082,343 2.302,344 3.507,345 2.449,346 5.176,347 3.036,348 2.061,349 2.803,350 6.084,351 1.999,352 3.5,353 2.445,354 5.175,355 3.015,356 2.034,357 2.799,358 6.076,359 1.985,360 3.321,361 2.095,362 4.827,363 2.858,364 1.895,365 2.508,366 5.082,367 1.819,368 3.315,369 2.094,370 4.824,371 2.84,372 1.874,373 2.499,374 5.068,375 1.804,376 2.97,377 2.079,378 4.201,379 2.576,380 1.62,381 1.909,382 3.728,383 1.538,384 2.959,385 1.699,386 4.166,387 2.342,388 1.358,389 1.901,390 3.391,391 1.337,392 2.785,393 1.569,394 3.965,395 2.341,396 1.358,397 1.796,398 3.193,399 1.335,400 25.233,401 0.476,402 1.068,403 0.02,404 77,405 1.453,406 42,407 0.792,408 35,409 0.66,410 46.433,411 0.876,412 51.567,413 0.621,414 74.188,415 1.4,416 15.655,417 0.295,418 10.379,419 0.196,420 0.066,422 0.349,424 0.738,425 1.2,426 0.658,427 0.971,428 0.617,429 0.834,430 0.91,431 1.018,432 0.845,433 0.869,434 0.617,435 0.844,436 0.819,437 1.041,438 0.818,439 0.923,440 0.626,441 0.881,442 1.084,443 1.06,444 1.01,445 0.985,446 1.157,447 0.982,448 1.304,449 1.017,450 1.109,451 0.951,452 1.382,453 0.991,454 0.986,455 1.041,456 1.039,457 1.043,458 0.931,459 1.039,460 1.044,461 0.972,462 1.039,463 1.031,464 0.948,465 1.027,466 1.273,467 1.049,468 1.14,469 1.141,470 1.314,471 1.125,472 7.5,473 0.27,474 6.444,475 4.069,476 3.119,477 2.286,478 1.569,479 0.981,480 0.663,481 0.381,482 67124,483 178632,484 2.178,485 36.1,487 24,488 2,489 2,493 2,494 1.86,495 2.078,496 4.179,497 -0.808,502 125.082,503 1.507,504 3.793,505 4.55,506 5.032,507 5.098,508 5.098,509 3.548,510 4.52,511 5.706,512 4.418,513 6088.12,514 10.13,515 136778,520 529.128,521 1.263,522 5.677,523 0.125,524 0.005,525 0.076,526 0.041,527 0.031,528 0.023,529 0.017,530 0.012,531 0.01,532 0.007,533 0.346,534 0.17,535 0.63,536 0.568,537 329.589,538 -0.016,539 -0.188,540 0.063,541 -0.077,542 -0.043,543 -0.012,544 0.085,545 0.033,546 -0.01,547 0.037,548 0.027,549 0.006,550 0.106,551 -0.01,552 0.08,553 0.016,554 0.079,555 0.033,556 0.053,557 -0.014,558 -0.076,559 -0.05,560 -0.104,561 -0.079,562 -0.114,563 0.004,564 -0.15,565 0.003,566 -0.169,567 -0.067,568 0.014,569 -0.036,570 -0.055,571 -0.065,572 0.04,573 -0.062,574 -0.03,575 0.02,576 -0.019,577 -0.035,578 0.008,579 -0.02,580 0.008,581 -0.085,582 -0.064,583 -0.127,584 0.022,585 -0.107,586 2.261,587 6.284,588 0.755,589 76.218,590 1.006,591 1.106,592 4.972,593 24.72,594 0.723,595 4.111,596 4.454,597 4.812,598 5.136,599 5.416,600 5.642,601 5.861,602 6.052,603 6.209,604 6.29,605 11.562,606 0.703,607 694.79,608 4.111,609 5.673,610 6.558,611 7.459,612 8.363,613 9.275,614 10.188,615 11.106,616 12.024,617 12.945,618 7.2,624 2,625 2,626 2,632 18,633 2,637 12,638 2,639 34,640 2,643 2,650 83,652 40,653 4,654 60,656 90,657 43,658 30,659 8,660 16,661 4,663 8,664 14,672 1,673 4,674 34,675 5,677 4,680 2,682 2,683 4,687 30,688 8,690 10,692 2,694 6,696 0.5,697 4,708 2,709 4,710 2,712 2,713 2,715 2,716 2,728 4,735 53,739 5,741 2,747 2,748 2,753 2,755 4.8,758 2,760 2,762 25.5,763 15.533,764 11.722,765 4.978,766 6.415,767 1.618,768 1.036,769 9.199,770 16.791,771 4.454,772 5.053,773 5.723,774 6.34,775 6.889,776 7.34,777 7.85,778 8.296,779 8.745,780 9.125,781 1,782 100,783 19.61,784 8.565,785 7.767,786 37.017,787 30.809,788 2.267,789 120.167,793 353.133,794 321.042,795 70.94,797 72.29,800 321.042,801 425.423,802 70.94,804 15.931,805 151.62,806 144.536,807 89.509,808 109.759,809 306.049,811 353.133,812 391.982,813 72.29,816 329.591,817 95.832,819 76.051,820 248.299,821 67.632,823 353.133,824 143.23,825 321.042,827 353.133,828 71.481,829 172.655,830 34.061,831 186.074,832 353.133,833 143.23,834 321.042,835 0.578,836 0.355,837 0.202,838 0.113,839 42,840 18,841 0.111,842 10,843 4,844 1.2,845 5.919,846 618.028,847 0.2,848 40,849 239.58,852 33.517,853 14.547,854 6.414,856 139.432,857 34.165,858 8.802,862 8.098,863 3.695,865 817.405,866 85,869 26.568,871 9.79,872 0.345,873 83.523,874 91.81,876 0.236,877 0.595,878 0.714,879 0.789,880 0.8,881 0.8,882 5.709,883 2.37,884 6.541,885 7.085,886 5.142,887 5.743,888 2.691,889 7.403,890 5.078,891 6.933,892 2.061,893 8.126,894 7.082,895 4.691,896 5.472,898 8.412,899 4.61,900 8.252,901 2.034,902 9.816,903 6.084,904 6.774,905 7.961,906 3.527,907 11.574,908 6.65,909 9.609,910 1.895,911 11.572,912 6.076,913 7.216,914 8.587,916 13.445,917 7.064,918 11,919 1.874,920 13.37,921 5.082,922 8.717,923 10.472,924 4.502,925 16.12,926 8.53,927 12.417,928 1.62,929 15.196,930 5.068,931 9.559,932 11.514,934 18.325,935 9.336,936 13.853,937 1.358,938 17.043,939 3.728,940 10.842,941 13.152,942 5.517,943 20.845,944 10.586,945 3.302,946 1.358,947 18.904,948 3.391,949 11.867,950 14.398,952 23.186,953 11.57,954 3.302,955 11.769,956 20.777,957 3.193,958 13.071,959 15.928,960 6.543,961 25.654,962 12.74,963 2.979,964 11.769,965 22.659,966 4.371,967 14.177,968 17.276,970 28.054,971 13.806,972 2.977,973 10.388,974 24.547,975 4.371,976 15.355,977 18.761,978 7.572,979 30.507,980 14.948,981 2.614,982 10.387,983 26.442,984 3.954,985 16.498,986 20.162,988 32.934,989 16.051,990 2.612,991 8.528,992 28.341,993 3.954,994 17.672,995 21.629,996 8.603,997 35.384,998 17.186,999 2.381,1000 8.527,1001 30.245,1002 3.581,1003 18.833,1004 23.057,1006 37.824,1007 18.308,1008 60582,1009 99122,1010 41.263,1011 59.989,1012 93.36,1013 93.121,1014 93.216,1015 90.031,1016 90.077,1017 122.489,1018 9.878,1019 264.556,1020 87.19,1021 5.607,1022 5.713,1023 6.753,1024 5.366,1025 5.302,1026 7.371,1027 3.349,1028 19.472,1029 5.18,1030 21.329,1031 1.556,1032 1.552,1033 1.554,1034 1.501,1035 1.501,1036 2.041,1037 0.165,1038 4.409,1039 1.453,1040 4.137,1041 4.172,1042 4.107,1043 4.036,1044 7.435,1045 4.046,1046 4.079,1047 4.115,1048 4.053,1049 3.98,1050 7.431,1051 3.991,1052 3.875,1053 3.908,1054 3.821,1055 3.798,1056 5.453,1057 3.796,1058 3.87,1059 3.902,1060 3.815,1061 3.797,1062 5.442,1063 3.794,1064 3.778,1065 3.801,1066 3.729,1067 3.67,1068 4.987,1069 3.687,1070 3.765,1071 3.79,1072 3.721,1073 3.662,1074 4.947,1075 3.679,1076 3.624,1077 3.673,1078 3.501,1079 3.433,1080 4.773,1081 3.437,1082 3.367,1083 3.402,1084 3.319,1085 3.217,1086 4.767,1087 3.232,1088 0.078,1089 0.062,1090 0.116,1091 0.071,1092 0.055,1093 4.656,1094 0.073,1095 3.713,1096 0.028,1097 6.951,1098 0.196,1099 4.263,1100 0.053,1101 3.302,1102 4.371,1103 1.674,1104 11.769,1105 3.18,1106 1.976,1107 1.955,1108 2.057,1109 2.046,1110 1.18,1111 2.05,1112 1.976,1113 1.955,1114 2.057,1115 2.046,1116 1.18,1117 2.05,1118 1.856,1119 1.829,1120 1.963,1121 1.949,1122 1.159,1123 1.954,1124 1.856,1125 1.829,1126 1.963,1127 1.947,1128 1.061,1129 1.953,1130 1.656,1131 1.627,1132 1.866,1133 1.873,1134 1.06,1135 1.864,1136 1.611,1137 1.58,1138 1.72,1139 1.782,1140 0.922,1141 1.763,1142 1.55,1143 1.494,1144 1.709,1145 1.734,1146 0.92,1147 1.734,1148 1.37,1149 1.329,1150 1.467,1151 1.618,1152 0.474,1153 1.57,1154 4.796,1156 6.133,1157 3.045,1158 7.667,1159 5.533,1160 9.291,1161 7.743,1162 10.968,1169 0.693,1171 11.176,1177 11.444,1178 5.39,1179 58.309,1180 125.082,1181 314.85,1182 377.618,1183 417.618,1184 423.128,1185 423.128,1186 97.166,1187 10.376,1188 112.96,1189 112.96,1190 48,1191 13.454,1192 5.358,1193 4.7,1194 73.838,1195 388,1196 291,1197 0.092,1198 350.587,1199 625.98,1200 847.193,1201 732464,1203 36.313,1204 0.685,1205 0.536,1206 36.313,1207 28.399,1208 26.034,1209 0.434,1210 0.282,1211 16.719,1212 25.203,1213 16.398,1214 13.523,1215 26.034,1216 16.93,1217 22.839,1218 0.269,1219 0.144,1220 22.839,1221 12.259,1222 20.806,1223 0.171,1224 0.075,1225 20.806,1226 9.099,1227 18.053,1228 0.107,1229 0.039,1230 18.053,1231 6.546,1232 15.037,1233 0.067,1234 0.02,1235 15.037,1236 4.541,1237 0.151,1238 162.064,1239 0.156,1240 45.471,1241 0.236,1242 290,1243 850.813,1244 314.224,1245 831.489,1246 1158.08,1247 782,1248 352,1249 869.083,1250 378.617,1251 884.186,1252 1309.12,1253 834,1254 6.712}
{0 CHEMBL509197,1 1.503,2 7.85,3 3.388,4 11.478,5 76.275,6 7.454,7 0.682,8 3.685,9 3.795,10 3.259,11 3.251,12 4.804,13 3.232,14 4.209,15 4.367,16 3.679,17 3.632,18 5.356,19 3.611,20 4.444,21 4.608,22 3.65,23 3.743,24 5.584,25 3.684,26 4.52,27 4.78,28 3.537,29 3.657,30 5.546,31 3.569,32 4.22,33 4.394,34 3.358,35 3.425,36 5.464,37 3.382,38 4.108,39 4.314,40 3.251,41 3.323,42 5.277,43 3.26,44 4.041,45 4.271,46 2.957,47 3.198,48 5.057,49 3.088,50 3.869,51 4.088,52 2.859,53 3.081,54 4.853,55 2.976,56 0.012,57 0.503,58 7.143,59 3.324,60 5.977,61 4.224,62 0.152,63 0.808,64 13.546,65 5.537,66 22.583,67 7.287,68 0.347,69 0.979,70 18.097,71 6.752,72 36.126,73 8.5,74 0.192,75 1.001,76 21.642,77 7.7,78 33.789,79 10.789,80 0.248,81 0.738,82 15.154,83 5.189,84 47.657,85 6.334,86 0.229,87 0.717,88 13.196,89 4.295,90 25.833,91 5.917,92 0.142,93 0.599,94 13.034,95 4.87,96 25.308,97 6.468,98 0.112,99 0.519,100 10.705,101 4.079,102 18.882,103 5.445,104 20,105 33,106 0.271,107 0.61,108 0.688,109 0.756,110 0.766,111 0.766,112 3.059,113 0.891,114 -3.21,115 -3.2,116 -3.08,118 44.4,119 3,128 1,135 5,136 2,138 1,139 1,144 2,149 1,159 6,161 1,162 4,165 3,166 9,168 2,169 3,170 1,172 3,173 5,176 6,179 1,180 3,184 7,187 4,191 4,193 2,195 3,198 4,202 3,204 2,207 3,208 3,215 6,216 410,217 12.964,218 12.964,219 12.964,220 12.964,221 12.964,222 11.21,223 6.499,224 7.424,225 13.183,226 10.892,227 10.892,228 10.892,229 10.892,230 10.892,231 8.168,232 9.075,233 3.556,234 11.253,235 3.667,236 1.789,237 1.358,238 0.98,239 0.925,240 0.925,241 3.732,244 1,245 1,246 1,247 335,248 3.536,251 29.902,252 83.403,254 119.674,258 1.28,259 17.796,261 1,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 43,271 157,272 4.714,273 3.769,274 6.767,275 4.209,276 3.231,277 4.809,278 1.674,279 11.141,280 3.165,281 4.231,282 3.235,283 6.48,284 4.079,285 3.134,286 3.68,288 10.242,289 2.943,290 3.96,291 3.146,292 5.938,293 3.624,294 2.642,295 3.239,297 8.351,298 2.584,299 3.638,300 2.316,301 5.525,302 3.164,303 2.176,304 2.978,306 6.911,307 2.144,308 3.26,309 1.845,310 4.882,311 2.729,312 1.761,313 2.634,315 5.32,316 1.701,317 2.922,318 1.723,319 4.121,320 2.408,321 1.422,322 2.116,324 3.454,325 1.399,326 2.76,327 1.388,328 3.791,329 2.226,330 1.25,331 1.783,333 3.06,334 1.201,335 2.5,336 1,337 3.589,338 1.978,339 1,340 1.5,342 2.536,343 0.976,344 1.856,345 0.748,346 3.092,347 1.313,348 0.363,349 0.534,350 0.914,351 0.343,352 0.93,353 0.392,354 2.903,355 0.543,356 -0.392,357 -0.462,358 -1.123,359 -0.361,360 0.876,361 -0.433,362 2.397,363 0.397,364 -0.61,365 -0.911,366 -1.498,367 -0.602,368 0.803,369 -0.696,370 2.232,371 0.285,372 -0.697,373 -1,374 -1.852,375 -0.682,376 0.5,377 -0.821,378 2,380 -1,381 -1,382 -2.858,383 -0.987,384 0.369,385 -1,386 2,388 -1,389 -1.045,390 -3,391 -1,393 -1,394 2,395 -0.013,396 -1,397 -1.5,398 -3,399 -1,400 9.467,401 0.473,402 0.734,403 0.037,404 26.25,405 1.313,406 13.5,407 0.675,408 12.75,409 0.638,410 15.179,411 0.759,412 21.133,413 0.587,414 17.414,415 0.871,416 5.038,417 0.252,418 4.4,419 0.22,420 0.194,421 0.053,422 0.317,424 0.752,425 1.21,426 0.768,427 1.053,428 0.656,429 0.931,430 0.705,431 1.112,432 0.644,433 0.929,434 0.457,435 0.799,436 1.407,437 1.039,438 1.223,439 1.057,440 0.889,441 1.114,442 0.869,443 0.874,444 0.719,445 0.824,446 0.955,447 0.757,448 2.007,449 1.103,450 1.254,451 0.977,452 2.921,453 1.01,454 1.074,455 1.006,456 1.16,457 1.045,458 1.044,459 1.075,460 1.198,461 0.956,462 1.07,463 1.05,464 1.23,465 1.049,466 1.115,467 1.086,468 1.056,469 1.065,470 1.073,471 1.066,472 5.5,473 0.037,474 2.444,475 1.826,476 0.946,477 0.716,478 0.398,479 0.327,480 0.246,481 0.074,482 3538,483 8850,484 2.036,485 44.4,487 5,489 1,490 1,492 9,494 1.619,495 1.86,496 2.979,497 -0.32,499 1,501 1,502 54.117,503 1.503,504 3.381,505 3.812,506 4.19,507 4.245,508 4.245,509 2.466,510 3.509,511 4.295,512 3.124,513 593.478,514 7.341,515 5909.31,516 1,517 1,518 1,519 1,520 186.117,521 1.72,522 4.22,523 0.25,524 0.012,525 0.074,526 0.061,527 0.035,528 0.033,529 0.021,530 0.023,531 0.019,532 0.011,533 0.539,534 0.83,535 1,536 1.329,537 87.389,538 -0.03,539 -0.09,540 0.05,541 -0.03,542 -0.104,543 0.016,544 0.22,545 -0.062,546 0.26,547 0.069,548 0.225,549 0.156,550 -0.087,551 -0.007,552 -0.271,553 -0.096,554 -0.061,555 -0.204,556 0.038,557 0.053,558 0.293,559 0.146,560 0.116,561 0.245,562 -0.356,563 -0.129,564 -0.238,565 -0.029,566 -0.469,567 -0.11,568 0.033,569 0.096,570 -0.19,571 -0.144,572 -0.034,573 -0.181,574 -0.109,575 -0.049,576 -0.073,577 -0.065,578 -0.067,579 -0.063,580 -0.109,581 -0.158,582 -0.081,583 -0.076,584 -0.029,585 -0.081,586 2.065,587 5.067,588 0.65,589 13.55,590 1.001,591 1.12,592 1.984,593 3.935,594 0.674,595 3.135,596 3.526,597 3.738,598 4.06,599 4.29,600 4.382,601 4.554,602 4.718,603 4.625,604 4.564,605 4.853,606 0.643,607 268.34,608 3.135,609 4.71,610 5.557,611 6.472,612 7.344,613 8.261,614 9.146,615 10.062,616 10.955,617 11.871,618 5.6,624 1,626 1,631 4,632 6,633 1,634 1,637 1,639 15,643 1,650 36,652 16,653 1,654 22,656 38,657 16,658 11,659 2,660 4,661 1,663 3,664 6,667 3,674 12,675 4,676 1,677 1,680 1,683 1,684 1,685 1,687 16,688 3,689 1,690 4,694 2,696 0.333,697 2,702 1,704 1,708 1,709 2,711 2,728 1,732 3,735 20,741 1,745 1,755 5.6,758 1,760 1,762 10.75,763 7.533,764 4.153,765 2.117,766 3.294,767 1.479,768 0.978,769 2.93,770 10.168,771 3.45,772 4.147,773 4.802,774 5.518,775 6.153,776 6.615,777 7.146,778 7.642,779 7.82,780 8.091,781 1,782 30,783 7.387,784 3.167,785 7.763,786 14.028,787 11.556,788 2.263,789 45.25,790 0.001,793 176.567,794 102.287,795 33.571,797 36.145,800 102.287,801 212.711,802 33.571,803 26.476,805 47.381,806 60.893,807 44.736,808 4.288,809 164.795,811 176.567,812 135.858,813 36.145,816 70.627,817 142.085,819 55.065,820 64.007,821 16.786,823 176.567,824 69.716,825 102.287,827 176.567,828 19.382,829 82.904,830 16.786,831 52.93,832 176.567,833 69.716,834 102.287,835 0.601,836 0.318,837 0.178,838 0.098,839 18,840 8,841 0.079,842 3,843 2,844 1.308,845 3.158,846 155.025,847 0.308,848 13,849 81.684,852 12.98,853 4.515,854 2.515,855 4.01,856 52.93,857 11.426,858 4.18,859 3.278,862 0.331,864 16.786,865 348.569,866 30.5,869 12.067,872 -0.398,873 36.043,874 40.322,876 0.291,877 0.654,878 0.737,879 0.81,880 0.821,881 0.821,882 4.707,883 1,884 5.617,885 3.06,886 4.205,887 4.832,888 1.888,889 6.494,890 4.141,891 5.98,892 0.363,893 7.222,894 2.536,895 4.111,896 4.879,898 7.687,899 4.014,900 7.336,901 -0.392,902 8.931,903 0.914,904 5.927,905 7.195,906 2.817,907 10.672,908 5.791,909 8.726,910 -0.61,911 10.698,912 -1.123,913 6.567,914 8.037,916 12.589,917 6.391,918 10.144,919 -0.697,920 12.499,921 -1.498,922 7.958,923 9.895,924 3.808,925 15.169,926 7.748,927 11.584,928 -1,929 14.321,930 -1.852,931 8.897,932 11.127,934 17.363,935 8.647,936 13.041,937 -1,938 16.158,939 -2.858,940 10.135,941 12.802,942 4.825,943 19.812,944 9.853,945 3.231,946 -1,947 18.007,948 -3,949 11.2,950 14.221,952 22.117,953 10.879,954 3.134,955 11.141,956 19.863,957 -3,958 12.382,959 15.825,960 5.851,961 24.523,962 12.031,963 2.642,964 10.242,965 21.726,966 4.809,967 13.5,968 17.329,970 26.876,971 13.113,972 2.176,973 8.351,974 23.594,975 3.68,976 14.663,977 18.907,978 6.88,979 29.269,980 14.247,981 1.761,982 6.911,983 25.467,984 3.239,985 15.803,986 20.449,988 31.643,989 15.355,990 1.422,991 5.32,992 27.343,993 2.978,994 16.962,995 22.019,996 7.91,997 34.034,998 16.485,999 1.25,1000 3.454,1001 29.223,1002 2.634,1003 18.112,1004 23.576,1006 36.419,1007 17.606,1008 3521,1009 5678,1010 14.216,1011 24.25,1012 34.73,1013 35.38,1014 34.369,1015 33.95,1016 33.958,1017 46.547,1018 3.349,1019 103.858,1020 32.911,1021 5.556,1022 5.769,1023 6.448,1024 5.268,1025 5.231,1026 7.809,1027 3.349,1028 18.164,1029 5.165,1030 10.72,1031 1.579,1032 1.608,1033 1.562,1034 1.543,1035 1.544,1036 2.116,1037 0.152,1038 4.721,1039 1.496,1040 4.209,1041 4.239,1042 4.179,1043 4.127,1044 7.433,1045 4.136,1046 3.765,1047 3.796,1048 3.695,1049 3.613,1050 5.074,1051 3.625,1052 3.642,1053 3.689,1054 3.533,1055 3.527,1056 4.643,1057 3.52,1058 3.305,1059 3.341,1060 3.23,1061 3.115,1062 4.526,1063 3.142,1064 2.985,1065 3.029,1066 2.888,1067 2.845,1068 4.131,1069 2.847,1070 2.888,1071 3.009,1072 2.803,1073 2.698,1074 3.844,1075 2.709,1076 2.874,1077 3.009,1078 2.508,1079 2.618,1080 3.722,1081 2.57,1082 2.874,1083 2.937,1084 2.499,1085 2.618,1086 3.503,1087 2.57,1088 0.214,1089 0.171,1090 0.308,1091 0.191,1092 0.147,1093 4.714,1094 0.219,1095 3.769,1096 0.076,1097 6.767,1098 0.506,1099 4.209,1100 0.144,1101 3.231,1102 4.809,1103 1.674,1104 11.141,1105 3.165,1106 1.974,1107 1.957,1108 2.051,1109 2.042,1110 1.197,1111 2.043,1112 1.836,1113 1.8,1114 1.953,1115 1.996,1116 1.118,1117 1.98,1118 1.687,1119 1.636,1120 1.904,1121 1.878,1122 0.983,1123 1.896,1124 1.211,1125 1.179,1126 1.417,1127 1.452,1128 0.469,1129 1.418,1130 1.006,1131 0.975,1132 1.417,1133 1.239,1134 0.469,1135 1.308,1136 0.934,1137 0.804,1138 1.351,1139 1.239,1140 0.393,1141 1.308,1142 0.934,1143 0.804,1144 1.159,1145 1.194,1146 0.214,1147 1.174,1148 0.848,1149 0.794,1150 1.06,1151 1.061,1152 0.125,1153 1.073,1154 3.807,1156 5.176,1157 2.398,1158 6.723,1159 4.844,1160 8.349,1161 7.05,1162 10.019,1164 5.527,1171 5.35,1175 -0.52,1179 23.16,1180 54.117,1181 121.714,1182 137.223,1183 150.833,1184 152.833,1185 152.833,1186 29.467,1187 6.874,1188 54.98,1189 54.98,1190 17,1191 12.387,1192 4.087,1193 3.248,1194 29.945,1195 60,1196 46,1197 0.263,1198 143.157,1199 236.68,1200 341.063,1201 7631,1203 14.328,1204 0.716,1205 0.586,1206 14.328,1207 11.728,1208 9.438,1209 0.429,1210 0.297,1211 6.463,1212 9.114,1213 6.167,1214 5.184,1215 9.438,1216 6.538,1217 9.683,1218 0.293,1219 0.175,1220 9.683,1221 5.788,1222 6.951,1223 0.17,1224 0.073,1225 6.951,1226 2.999,1227 6.25,1228 0.11,1229 0.038,1230 6.25,1231 2.192,1232 4.946,1233 0.069,1234 0.02,1235 4.946,1236 1.471,1237 0.4,1238 58.832,1239 0.265,1240 19.582,1241 0.759,1242 110,1243 311.449,1244 120.971,1245 302.303,1246 418.01,1247 282,1248 129,1249 317.627,1250 139.116,1251 322.993,1252 472.17,1253 302,1254 6.955}
{0 CHEMBL510658,1 1.798,2 9.348,3 3.721,4 13.844,5 93.7865,6 8.923,7 0.44,8 3.707,9 3.813,10 3.42,11 3.169,12 5.038,13 3.219,14 4.201,15 4.356,16 3.786,17 3.54,18 5.505,19 3.583,20 4.361,21 4.507,22 3.922,23 3.679,24 5.692,25 3.724,26 4.466,27 4.606,28 3.96,29 3.715,30 5.902,31 3.763,32 4.465,33 4.628,34 3.796,35 3.612,36 5.912,37 3.635,38 4.337,39 4.533,40 3.554,41 3.365,42 5.817,43 3.38,44 4.088,45 4.297,46 3.288,47 3.174,48 5.495,49 3.161,50 4.001,51 4.245,52 2.932,53 3,54 5.24,55 2.931,56 0.165,57 0.583,58 4.637,59 2.637,60 14.635,61 2.886,62 0.486,63 0.863,64 11.025,65 4.174,66 36.716,67 4.908,68 0.486,69 0.989,70 12.517,71 5.03,72 44.617,73 5.832,74 0.682,75 1.045,76 13.678,77 4.944,78 58.412,79 5.282,80 0.645,81 0.969,82 14.699,83 5.289,84 78.145,85 5.852,86 0.799,87 0.782,88 15.835,89 4.394,90 101.542,91 5.191,92 0.438,93 0.648,94 11.331,95 3.613,96 50.327,97 4.531,98 0.447,99 0.524,100 12.976,101 3.853,102 56.344,103 5.138,104 35,105 36,106 0.325,107 0.726,108 0.842,109 0.867,110 0.867,111 0.867,112 3.19,113 0.82,114 -2.53,115 -2.56,116 -2.5,118 40,119 1,123 1,124 1,135 3,136 1,137 2,139 1,145 1,149 2,151 1,158 1,159 2,160 1,161 4,162 7,163 1,166 2,168 3,169 6,173 2,174 2,175 5,176 5,181 2,182 2,183 4,184 5,188 2,190 2,191 6,192 3,197 1,198 4,199 3,204 1,205 1,208 2,210 2,212 1,215 2,216 599,217 15.569,218 15.569,219 15.569,220 15.569,221 15.569,222 13.676,223 21.503,224 9.133,225 16.026,226 12.221,227 12.221,228 12.221,229 12.221,230 12.221,231 9.337,232 21.298,233 4.118,234 12.838,235 3.331,236 1.107,237 0.465,238 0.329,239 0.329,240 0.329,241 3.865,245 1,246 1,247 450,248 3.317,251 39.772,252 90.303,254 68.994,255 76.602,258 1.641,259 32.205,262 1,263 0.83,264 1,265 0.4,267 1,268 1,269 0.75,270 52,271 215,272 4.713,273 3.833,274 7.128,275 4.348,276 3.397,277 4.403,278 1.674,279 12.367,280 3.237,281 4.233,282 3.637,283 6.432,284 3.838,285 2.856,286 3.85,287 1.2,288 9.834,289 2.793,290 3.805,291 3.019,292 5.928,293 3.42,294 2.454,295 3.188,296 0.293,297 7.916,298 2.366,299 3.677,300 2.757,301 5.645,302 3.305,303 2.354,304 2.942,306 7.285,307 2.228,308 3.441,309 2.387,310 5.25,311 3.038,312 2.081,313 2.658,315 6.422,316 1.977,317 2.976,318 1.832,319 4.318,320 2.342,321 1.419,322 2.036,324 3.642,325 1.304,326 2.768,327 1.747,328 4.093,329 2.181,330 1.219,331 1.851,333 2.999,334 1.168,335 2.494,336 1.491,337 3.858,338 2.015,339 1.043,340 1.467,342 2.478,343 1.007,344 2.462,345 1.197,346 3.232,347 1.914,348 0.939,349 1.38,350 1.854,351 0.907,352 2.059,353 1.008,354 3.211,355 1.711,356 0.725,357 0.911,358 1.298,359 0.702,360 1.786,361 0.806,362 2.959,363 1.338,364 0.346,365 0.459,366 0.815,367 0.339,368 1.416,369 0.284,370 2.618,371 0.858,372 -0.106,373 -0.143,374 -0.213,375 -0.102,376 0.963,377 0.042,378 2.317,379 0.402,380 -0.56,381 -0.631,382 -0.875,383 -0.53,384 0.676,385 -0.342,386 2,387 0.362,388 -0.643,389 -0.888,390 -1.309,391 -0.637,392 0.65,393 -0.527,394 2,395 0.156,396 -0.847,397 -1.134,398 -2.38,399 -0.843,400 10.4,401 0.452,402 0.593,403 0.026,404 31.75,405 1.38,406 16,407 0.696,408 15.75,409 0.685,410 15.573,411 0.677,412 24.4,413 0.697,414 24.892,415 1.082,416 6.592,417 0.287,418 4.487,419 0.195,420 0.199,422 0.413,424 0.682,425 1.391,426 0.599,427 1.211,428 0.49,429 0.951,430 0.76,431 0.892,432 0.64,433 0.744,434 0.484,435 0.667,436 0.921,437 1.173,438 0.702,439 1,440 0.703,441 0.834,442 1.191,443 1.095,444 1.031,445 0.993,446 1.317,447 0.971,448 1.25,449 1.134,450 1.196,451 1.246,452 1.361,453 1.221,454 1.271,455 0.856,456 1.203,457 0.88,458 1.152,459 0.993,460 0.986,461 0.935,462 1.178,463 1.151,464 0.742,465 1.2,466 1.102,467 0.895,468 1.14,469 1.024,470 1.154,471 1.1,472 4,473 0.045,474 3.111,475 1.965,476 2.175,477 1.153,478 0.668,479 0.28,480 0.175,481 0.09,482 4730,483 17959,484 2.016,485 34.3,487 8,489 1,492 3,494 1.662,495 1.84,496 3.145,497 -0.601,499 1,502 62.938,503 1.798,504 4.022,505 4.665,506 4.8,507 4.8,508 4.8,509 2.686,510 4.35,511 4.483,512 3.246,513 821.177,514 7.755,515 8833.01,517 1,519 1,520 179.525,521 1.538,522 4.428,523 0.16,524 0.009,525 0.086,526 0.048,527 0.053,528 0.035,529 0.027,530 0.015,531 0.013,532 0.011,533 0.458,534 0.33,535 1,536 1.485,537 105.082,538 0.005,539 -0.205,540 0.066,541 -0.189,542 0.016,543 -0.083,544 0.108,545 0.183,546 0.206,547 0.249,548 0.099,549 0.259,550 -0.027,551 -0.126,552 0.142,553 0.014,554 0.021,555 0.104,556 -0.122,557 -0.042,558 -0.181,559 -0.036,560 -0.188,561 -0.107,562 -0.18,563 -0.15,564 -0.27,565 -0.281,566 -0.187,567 -0.3,568 -0.053,569 0.044,570 -0.14,571 0.057,572 0.023,573 -0.038,574 -0.058,575 0.025,576 -0.173,577 -0.208,578 0.124,579 -0.219,580 -0.116,581 -0.097,582 0.027,584 -0.114,585 0.036,586 2.255,587 5.564,588 0.565,589 19.191,590 1.036,591 1.139,592 1.303,593 1.698,594 0.677,595 3.258,596 3.611,597 3.97,598 4.304,599 4.575,600 4.754,601 4.898,602 5.037,603 5.075,604 4.997,605 5.173,606 0.682,607 312.32,608 3.258,609 4.812,610 5.7,611 6.616,612 7.533,613 8.461,614 9.39,615 10.324,616 11.257,617 12.194,618 17.1,623 1,624 1,626 1,628 1,629 1,632 4,633 1,637 5,638 1,639 11,642 1,643 1,650 35,652 15,653 1,654 25,656 37,657 14,658 9,659 3,660 3,661 2,663 3,664 6,667 1,674 11,675 3,677 4,680 2,682 1,683 2,685 1,687 12,688 7,690 9,692 1,694 6,695 1,696 0.333,697 3,708 1,709 2,711 1,712 1,728 1,732 2,735 23,739 1,741 1,744 1,755 8.6,758 2,760 1,762 12.5,763 7.3,764 5.222,765 2.128,766 2.695,767 1.373,768 0.956,769 3.787,770 9.929,771 3.57,772 4.171,773 4.809,774 5.441,775 5.961,776 6.407,777 6.853,778 7.249,779 7.58,780 7.825,781 0.857,782 41,783 8.45,784 3.639,785 8.181,786 15.326,787 12.167,788 2.681,789 61.667,793 141.253,794 84.541,795 85.337,797 61.29,800 84.541,801 202.543,802 85.337,803 8.825,804 8.852,805 56.857,806 77.97,807 31.313,808 11.771,809 176.567,811 141.253,812 169.878,813 61.29,816 188.338,817 54.454,819 32.144,820 83.927,821 33.816,823 141.253,824 146.626,825 84.541,827 141.253,828 30.272,829 59.292,831 141.603,832 141.253,833 146.626,834 84.541,835 0.576,836 0.36,837 0.209,838 0.117,839 18,840 9,841 0.108,842 4,843 2,844 1.308,845 3.325,846 192.795,847 0.308,848 13,849 104.042,852 15.104,853 5.767,854 2.345,856 129.412,857 6.187,858 4.071,862 1.674,863 1.628,865 372.421,866 34.5,869 24.554,871 3.499,872 -0.913,873 36.244,874 39.864,876 0.351,877 0.784,878 0.909,879 0.936,880 0.936,881 0.936,882 4.818,883 1.043,884 5.714,885 2.999,886 4.29,887 4.856,888 2.25,889 6.619,890 4.204,891 6.045,892 0.939,893 7.334,894 2.478,895 4.007,896 4.718,897 0.325,898 7.708,899 3.893,900 7.375,901 0.725,902 9.058,903 1.854,904 5.964,905 7.077,906 3.008,907 10.889,908 5.793,909 8.746,910 0.346,911 10.843,912 1.298,913 6.524,914 7.794,915 0.653,916 12.801,917 6.319,918 10.151,919 -0.106,920 12.666,921 0.815,922 7.968,923 9.609,924 3.907,925 15.525,926 7.715,927 11.581,928 -0.56,929 14.514,930 -0.213,931 8.893,932 10.719,933 1.001,934 17.776,935 8.597,936 13.031,937 -0.643,938 16.381,939 -0.875,940 10.164,941 12.322,942 4.874,943 20.354,944 9.822,945 3.397,946 -0.847,947 18.263,948 -1.309,949 11.25,950 13.619,951 1.37,952 22.751,953 10.859,954 2.856,955 12.367,956 20.156,957 -2.38,958 12.467,959 15.137,960 5.875,961 25.281,962 12.029,963 2.454,964 9.834,965 22.058,966 4.403,967 13.623,968 16.524,969 1.754,970 27.741,971 13.134,972 2.354,973 7.916,974 23.969,975 3.85,976 14.829,977 18.009,978 6.892,979 30.256,980 14.291,981 2.081,982 7.285,983 25.886,984 3.188,985 16.016,986 19.439,987 2.143,988 32.744,989 15.427,990 1.419,991 6.422,992 27.809,993 2.942,994 17.223,995 20.913,996 7.916,997 35.255,998 16.584,999 1.219,1000 3.642,1001 29.737,1002 2.658,1003 18.425,1004 22.364,1005 2.535,1006 37.757,1007 17.735,1008 4812,1009 9474,1010 16.126,1011 23.682,1012 38.544,1013 39.932,1014 40.749,1015 37.697,1016 37.665,1017 50.289,1018 6.334,1019 113.817,1020 36.059,1021 5.603,1022 5.833,1023 6.897,1024 5.421,1025 5.397,1026 7.403,1027 3.349,1028 20.367,1029 5.237,1030 13.186,1031 1.542,1032 1.597,1033 1.63,1034 1.508,1035 1.507,1036 2.012,1037 0.253,1038 4.553,1039 1.442,1040 4.101,1041 4.14,1042 4.081,1043 3.961,1044 7.434,1045 3.984,1046 3.766,1047 3.806,1048 3.736,1049 3.609,1050 7.426,1051 3.637,1052 3.527,1053 3.583,1054 3.436,1055 3.284,1056 6.727,1057 3.292,1058 3.393,1059 3.459,1060 3.3,1061 3.14,1062 4.935,1063 3.171,1064 3.283,1065 3.384,1066 3.226,1067 2.94,1068 4.666,1069 2.999,1070 3.064,1071 3.083,1072 2.964,1073 2.788,1074 4.438,1075 2.806,1076 2.97,1077 3.03,1078 2.786,1079 2.722,1080 4.112,1081 2.761,1082 2.675,1083 2.74,1084 2.57,1085 2.433,1086 3.999,1087 2.473,1088 0.189,1089 0.153,1090 0.285,1091 0.174,1092 0.136,1093 4.713,1094 0.176,1095 3.833,1096 0.067,1097 7.128,1098 0.495,1099 4.348,1100 0.129,1101 3.397,1102 4.403,1103 1.674,1104 12.367,1105 3.237,1106 1.957,1107 1.932,1108 2.02,1109 2.088,1110 1.166,1111 2.066,1112 1.573,1113 1.543,1114 1.809,1115 1.812,1116 0.94,1117 1.794,1118 1.463,1119 1.395,1120 1.684,1121 1.727,1122 0.775,1123 1.712,1124 1.31,1125 1.246,1126 1.419,1127 1.584,1128 0.498,1129 1.543,1130 1.178,1131 1.117,1132 1.387,1133 1.459,1134 0.357,1135 1.44,1136 1.008,1137 0.932,1138 1.183,1139 1.376,1140 0.23,1141 1.309,1142 0.942,1143 0.86,1144 1.063,1145 1.181,1146 0.108,1147 1.179,1148 0.632,1149 0.575,1150 0.982,1151 0.976,1153 0.966,1154 3.932,1156 5.273,1157 2.398,1158 6.832,1159 4.727,1160 8.503,1161 6.88,1162 10.24,1164 3.24,1169 0.217,1171 4.967,1174 1.321,1179 23.853,1180 62.938,1181 140.77,1182 163.26,1183 168.015,1184 168.015,1185 168.015,1186 45.125,1187 7.233,1188 114.36,1189 114.36,1190 17,1191 12.692,1192 4,1193 3.392,1194 36.66,1195 73,1196 83,1197 0.273,1198 149.291,1199 260.49,1200 356.03,1201 11376,1203 16.56,1204 0.72,1205 0.541,1206 16.56,1207 12.438,1208 11.079,1209 0.443,1210 0.273,1211 6.663,1212 10.35,1213 6.507,1214 5.406,1215 11.079,1216 6.829,1217 9.762,1218 0.271,1219 0.133,1220 9.762,1221 4.776,1222 8.719,1223 0.168,1224 0.067,1225 8.719,1226 3.478,1227 7.567,1228 0.104,1229 0.034,1230 7.567,1231 2.487,1232 6.089,1233 0.063,1234 0.017,1235 6.089,1236 1.643,1237 0.409,1238 71.561,1239 0.249,1240 21.994,1241 0.805,1242 122,1243 471.369,1244 140.6,1245 446.605,1246 597.32,1247 414,1248 149,1249 436.058,1250 168.77,1251 434.889,1252 639.52,1253 406,1254 8.42}
{0 CHEMBL510963,1 1.843,2 6.556,3 1.273,4 1.621,5 66.283,6 9.418,7 0.55,8 3.494,9 3.59,10 3.251,11 3.032,12 4.719,13 3.051,14 3.999,15 4.144,16 3.677,17 3.446,18 5.212,19 3.454,20 4.172,21 4.308,22 3.797,23 3.584,24 5.462,25 3.579,26 4.287,27 4.443,28 3.748,29 3.571,30 5.604,31 3.562,32 4.228,33 4.406,34 3.593,35 3.402,36 5.594,37 3.35,38 4.037,39 4.279,40 3.098,41 3.064,42 5.334,43 2.927,44 3.498,45 3.73,46 2.591,47 2.556,48 4.671,49 2.36,50 2.831,51 3.126,52 1.775,53 1.744,54 3.795,55 1.567,56 0.112,57 0.432,58 3.527,59 2.207,60 10.08,61 2.33,62 0.308,63 0.695,64 8.423,65 3.616,66 19.726,67 3.986,68 0.311,69 0.789,70 11.539,71 4.709,72 24.811,73 5.273,74 0.52,75 0.84,76 12.741,77 4.691,78 34.02,79 4.818,80 0.481,81 0.72,82 13.519,83 5.095,84 43.559,85 5.813,86 0.512,87 0.496,88 15.769,89 5.034,90 74.617,91 6.07,92 0.283,93 0.244,94 14.151,95 3.298,96 29.561,97 4.019,98 0.139,99 0.122,100 5.879,101 1.635,102 18.668,103 2.156,104 18,105 30,106 0.355,107 0.759,108 0.847,109 0.88,110 0.88,111 0.88,112 2.964,113 0.864,114 -2.82,115 -2.83,116 -2.74,118 42.9,123 1,124 1,135 3,136 1,137 2,139 1,145 1,149 1,151 1,159 2,161 3,162 4,166 4,168 1,169 4,170 1,173 4,175 1,176 4,178 2,183 1,184 7,193 1,194 2,198 1,201 2,214 1,216 250,217 12.077,218 12.077,219 12.077,220 12.077,221 12.077,222 10.699,223 16.903,224 6.755,225 12.463,226 9.75,227 9.75,228 9.75,229 9.75,230 9.75,231 7.48,232 18.738,233 3.07,234 10.433,235 2.964,236 0.87,237 0.411,238 0.241,239 0.241,240 0.241,241 3.633,243 1,245 1,246 1,247 253,248 2.236,251 26.769,252 62.077,254 47.059,255 52.857,258 1.062,259 22.794,262 1,263 1,264 1,265 0.4,267 1,268 1,269 0.77,270 39.833,271 118,272 4.691,273 3.806,274 7.093,275 4.327,276 3.377,277 4.374,278 1.2,279 12.231,280 3.213,281 4.134,282 3.15,283 6.306,284 3.709,285 2.745,286 3.754,287 0.765,288 9.394,289 2.638,290 3.708,291 2.968,292 5.928,293 3.365,294 2.412,295 2.986,296 0.293,297 7.913,298 2.287,299 3.498,300 2.624,301 5.14,302 3.049,303 2.164,304 2.798,306 6.09,307 1.854,308 2.989,309 2.16,310 4.875,311 2.654,312 1.725,313 2.111,315 5.138,316 1.574,317 2.65,318 1.641,319 4.098,320 2.157,321 1.207,322 1.713,324 3.142,325 1.132,326 2.465,327 1.257,328 3.941,329 1.914,330 0.94,331 1.388,333 2.478,334 0.907,335 1.844,336 0.95,337 3.229,338 1.395,339 0.458,340 0.571,342 0.934,343 0.413,344 1.495,345 0.786,346 2.936,347 1.224,348 0.302,349 0.358,350 0.549,351 0.278,352 1.168,353 0.363,354 2.458,355 0.708,356 -0.155,357 -0.192,358 -0.352,359 -0.111,360 0.688,361 -0.262,362 2.359,363 0.21,364 -0.765,365 -0.925,366 -1.935,367 -0.62,368 0.342,369 -0.447,370 2,371 0.011,372 -0.873,373 -1.11,374 -2.286,375 -0.828,376 0.082,377 -0.827,378 2,379 -0.337,380 -1.217,381 -1.519,382 -3.198,383 -1.013,384 -0.027,385 -0.938,386 1.82,387 -0.434,388 -1.364,389 -1.622,390 -3.641,391 -1.292,392 -0.131,393 -1.204,394 1.463,395 -0.566,396 -1.451,397 -1.926,398 -4.17,399 -1.369,400 8.581,401 0.477,402 0.542,403 0.03,404 24.75,405 1.375,406 12,407 0.667,408 12.75,409 0.708,410 12.046,411 0.669,412 19.019,413 0.679,414 16.688,415 0.927,416 4.994,417 0.277,418 3.637,419 0.202,420 0.219,422 0.443,424 0.81,425 1.497,426 0.537,427 0.933,428 0.713,429 0.818,430 0.82,431 0.883,432 0.593,433 0.586,434 0.709,435 0.609,436 0.834,437 1.251,438 0.892,439 1.067,440 0.735,441 0.959,442 1.192,443 0.982,444 0.949,445 0.871,446 1.26,447 0.972,448 0.855,449 1.139,450 0.871,451 1.298,452 0.996,453 1.301,454 1.141,455 0.735,456 0.92,457 0.795,458 1.275,459 0.967,460 1.234,461 0.814,462 2.073,463 1.481,464 1.13,465 1.375,466 1.109,467 0.572,468 0.783,469 0.635,470 1.154,471 0.715,472 3.5,474 2.667,475 1.813,476 1.93,477 0.733,478 0.246,479 0.115,480 0.045,482 2315,483 8657,484 2.053,485 35.7,487 8,489 1,490 1,494 1.596,495 1.862,496 2.698,497 -0.171,499 1,501 1,502 51.612,503 1.843,504 3.937,505 4.396,506 4.566,507 4.566,508 4.566,509 2.197,510 3.725,511 4.142,512 2.74,513 419.161,514 7.076,515 3750.31,517 1,520 134.606,521 1.53,522 4.071,523 0.175,525 0.089,526 0.055,527 0.064,528 0.035,529 0.022,530 0.023,531 0.023,533 0.486,534 0.83,535 1,536 0.946,537 73.021,538 -0.126,539 -0.354,540 0.003,541 -0.073,542 -0.117,543 -0.018,544 -0.04,545 0.26,546 0.075,547 0.279,548 -0.057,549 0.231,550 -0.04,551 -0.179,552 -0.078,553 -0.156,554 0.01,555 -0.087,556 -0.177,557 0.099,558 -0.198,559 -0.005,560 -0.168,561 -0.135,562 0.105,563 -0.184,564 -0.032,565 -0.367,566 0.055,567 -0.35,568 -0.008,569 0.033,570 0.155,571 0.256,572 0.023,573 0.17,574 -0.086,575 -0.133,576 -0.254,577 -0.275,578 -0.104,579 -0.157,580 0.017,581 0.062,582 0.49,583 0.501,584 -0.056,585 0.592,586 1.824,587 5.242,588 0.722,589 9.654,590 1.029,591 1.126,592 1.587,593 2.518,594 0.708,595 3.045,596 3.434,597 3.807,598 4.143,599 4.407,600 4.522,601 4.595,602 4.682,603 4.595,604 4.277,605 3.87,606 0.694,607 263.7,608 3.045,609 4.615,610 5.517,611 6.444,612 7.368,613 8.301,614 9.231,615 10.165,616 11.098,617 12.033,618 10.7,623 1,624 1,626 1,632 4,633 1,637 5,638 1,639 11,642 1,649 1,650 28,652 12,653 1,654 20,656 30,657 12,658 9,659 3,660 3,661 1,663 3,664 6,665 1,667 1,674 10,675 2,677 1,680 1,683 1,685 1,687 10,688 4,689 1,690 6,691 1,692 1,694 3,696 0.333,697 2,698 1,708 1,709 2,711 1,712 1,726 1,728 1,732 1,733 1,735 18,738 1,739 1,744 1,754 1,755 7.1,756 1,758 1,762 9.667,763 5.443,764 3.944,765 1.518,766 2.335,767 1.346,768 0.974,769 2.571,770 9.076,771 3.314,772 3.966,773 4.631,774 5.256,775 5.766,776 6.121,777 6.491,778 6.818,779 7.066,780 7.095,781 0.8,782 33,783 6.63,784 2.913,785 8.034,786 12.271,787 10.178,788 2.534,789 45.611,790 0.001,793 105.94,794 64.676,795 21.809,796 39.149,797 67.828,800 64.676,801 212.917,802 21.809,803 8.396,804 3.124,805 71.112,806 67.025,807 16.427,809 94.169,810 39.149,811 105.94,812 86.485,813 67.828,814 39.149,816 105.94,817 25.145,818 42.683,819 18.727,820 50.973,821 55.934,823 105.94,824 89.637,825 103.825,827 105.94,828 19.232,829 50.467,831 123.762,832 105.94,833 89.637,834 103.825,835 0.596,836 0.38,837 0.217,838 0.124,839 17,840 8,841 0.033,842 1,843 2,844 1.308,845 2.867,846 141.617,847 0.308,848 13,849 75.059,852 11.564,853 4.002,854 1.566,856 87.738,857 6.726,858 4.109,862 2.842,863 1.776,864 42.683,865 299.402,866 26.5,869 12.242,872 -0.157,873 28.818,874 31.519,876 0.383,877 0.819,878 0.914,879 0.95,880 0.95,881 0.95,882 4.582,883 0.458,884 5.549,885 2.478,886 4.111,887 4.649,888 1.619,889 6.469,890 3.988,891 5.826,892 0.302,893 7.182,894 0.934,895 3.892,896 4.605,897 0.325,898 7.579,899 3.696,900 7.171,901 -0.155,902 8.914,903 0.549,904 5.808,905 6.904,906 1.652,907 10.753,908 5.588,909 8.555,910 -0.765,911 10.704,912 -0.352,913 6.399,914 7.676,915 0.653,916 12.672,917 6.121,918 9.972,919 -0.873,920 12.529,921 -1.935,922 7.828,923 9.462,924 1.807,925 15.395,926 7.519,927 11.411,928 -1.217,929 14.38,930 -2.286,931 8.768,932 10.6,933 1.001,934 17.647,935 8.408,936 12.869,937 -1.364,938 16.249,939 -3.198,940 10.035,941 12.191,942 2.024,943 20.222,944 9.637,945 3.377,946 -1.451,947 18.132,948 -3.641,949 11.129,950 13.499,951 1.37,952 22.615,953 10.679,954 2.745,955 12.231,956 20.027,957 -4.17,958 12.346,959 15.012,960 2.278,961 25.14,962 11.853,963 2.412,964 9.394,965 21.93,966 4.374,967 13.505,968 16.401,969 1.754,970 27.594,971 12.961,972 2.164,973 7.913,974 23.842,975 3.754,976 14.711,977 17.883,978 2.557,979 30.102,980 14.119,981 1.725,982 6.09,983 25.76,984 2.986,985 15.899,986 19.312,987 2.143,988 32.582,989 15.256,990 1.207,991 5.138,992 27.683,993 2.798,994 17.105,995 20.783,996 2.854,997 35.086,998 16.413,999 0.94,1000 3.142,1001 29.611,1002 2.111,1003 18.306,1004 22.231,1005 2.535,1006 37.578,1007 17.563,1008 2349,1009 4603,1010 12.948,1011 19.83,1012 31.1,1013 32.308,1014 33.222,1015 30.851,1016 30.658,1017 40.107,1018 4.515,1019 95.738,1020 28.594,1021 5.576,1022 5.806,1023 6.635,1024 5.399,1025 5.377,1026 7.374,1027 2.293,1028 20.231,1029 5.213,1030 9.614,1031 1.555,1032 1.615,1033 1.661,1034 1.543,1035 1.533,1036 2.005,1037 0.226,1038 4.787,1039 1.43,1040 4.095,1041 4.134,1042 4.11,1043 3.964,1044 7.428,1045 3.982,1046 3.727,1047 3.758,1048 3.832,1049 3.609,1050 6.457,1051 3.622,1052 3.393,1053 3.456,1054 3.397,1055 3.15,1056 4.978,1057 3.179,1058 3.164,1059 3.22,1060 3.19,1061 2.915,1062 4.818,1063 2.925,1064 2.985,1065 3.039,1066 2.943,1067 2.792,1068 4.222,1069 2.78,1070 2.792,1071 2.834,1072 2.774,1073 2.648,1074 4.004,1075 2.64,1076 2.479,1077 2.522,1078 2.398,1079 2.225,1080 3.58,1081 2.247,1082 2.258,1083 2.318,1084 2.254,1085 2.012,1086 3.39,1087 2.032,1088 0.235,1089 0.19,1090 0.355,1091 0.216,1092 0.169,1093 4.691,1094 0.219,1095 3.806,1096 0.06,1097 7.093,1098 0.612,1099 4.327,1100 0.161,1101 3.377,1102 4.374,1103 1.2,1104 12.231,1105 3.213,1106 1.952,1107 1.93,1108 2.006,1109 2.073,1110 1.167,1111 2.055,1112 1.555,1113 1.513,1114 1.71,1115 1.746,1116 0.857,1117 1.739,1118 1.345,1119 1.285,1120 1.579,1121 1.597,1122 0.663,1123 1.592,1124 1.193,1125 1.126,1126 1.385,1127 1.465,1128 0.451,1129 1.452,1130 0.96,1131 0.902,1132 1.189,1133 1.19,1134 0.235,1135 1.188,1136 0.757,1137 0.701,1138 0.999,1139 1.039,1140 0.024,1141 1.031,1142 0.573,1143 0.529,1144 0.733,1145 0.841,1147 0.82,1148 0.329,1149 0.295,1150 0.568,1151 0.583,1153 0.596,1154 3.714,1156 5.081,1157 2.398,1158 6.666,1159 4.727,1160 8.356,1161 6.862,1162 10.107,1164 1.652,1165 5.914,1168 9.244,1169 -0.205,1174 1.469,1179 19.429,1180 51.612,1181 110.241,1182 123.096,1183 127.851,1184 127.851,1185 127.851,1186 28.183,1187 6.742,1188 59.53,1189 59.53,1190 17,1191 12.532,1192 3.7,1193 2.907,1194 25.459,1195 45,1196 40,1197 0.327,1198 122.842,1199 207.23,1200 291.495,1201 6037,1202 3.6,1203 12.861,1204 0.715,1205 0.575,1206 13.361,1207 10.348,1208 8.63,1209 0.432,1210 0.288,1211 5.307,1212 7.927,1213 5.144,1214 4.231,1215 8.919,1216 5.761,1217 7.951,1218 0.265,1219 0.15,1220 8.359,1221 4.505,1222 7.313,1223 0.166,1224 0.074,1225 7.575,1226 3.271,1227 6.261,1228 0.101,1229 0.038,1230 6.48,1231 2.361,1232 5.248,1233 0.065,1234 0.02,1235 5.539,1236 1.601,1237 0.47,1238 57.855,1239 0.278,1240 17.193,1241 1.035,1242 100,1243 331.024,1244 126.167,1245 346.208,1246 462.31,1247 322,1248 124,1249 317.521,1250 146.35,1251 330.826,1252 492.55,1253 310,1254 6.523}
{0 CHEMBL511684,1 1.63,2 7.952,3 4.127,4 17.031,5 90.143,6 8.972,7 0.261,8 3.719,9 3.802,10 3.548,11 3.472,12 4.731,13 3.359,14 4.318,15 4.444,16 4.023,17 3.957,18 5.258,19 3.787,20 4.632,21 4.801,22 4.117,23 4.08,24 5.663,25 3.912,26 4.68,27 4.859,28 4.098,29 4.043,30 5.764,31 3.857,32 4.557,33 4.74,34 3.825,35 3.891,36 5.641,37 3.7,38 4.425,39 4.615,40 3.695,41 3.748,42 5.666,43 3.576,44 4.376,45 4.618,46 3.556,47 3.633,48 5.323,49 3.41,50 4.106,51 4.356,52 3.196,53 3.327,54 5.051,55 3.104,56 0.005,57 0.458,58 6.675,59 3.975,60 5.181,61 4.913,62 0.063,63 0.892,64 23.911,65 9.332,66 16.565,67 9.87,68 0.215,69 1.158,70 29.687,71 11.55,72 47.363,73 12.849,74 0.334,75 1.25,76 37.769,77 13.211,78 61.36,79 13.349,80 0.317,81 1.124,82 34.241,83 11.952,84 54.673,85 11.805,86 0.367,87 0.932,88 24.22,89 9.212,90 77.801,91 10.334,92 0.23,93 0.883,94 27.925,95 9.177,96 42.234,97 10.667,98 0.137,99 0.66,100 19.898,101 6.934,102 28.473,103 8.353,104 18,105 33,106 0.297,107 0.62,108 0.827,109 0.866,110 0.866,111 0.866,112 3.105,113 1.269,114 -4.72,115 -4.63,116 -4.36,118 42.1,120 3,121 2,123 1,126 1,127 1,135 4,136 1,137 1,147 1,148 1,159 8,162 3,166 14,169 6,173 10,176 7,180 11,184 2,187 11,190 1,191 3,195 9,198 2,202 8,204 2,208 4,215 2,216 539,217 14.146,218 14.146,219 14.146,220 14.146,221 14.146,222 13.173,223 11.084,224 8.128,225 14.671,226 11.244,227 11.244,228 11.244,229 11.244,230 11.244,231 9.699,232 7.793,233 3.731,234 12.02,235 3.618,236 1.845,237 0.704,238 0.494,239 0.494,240 0.494,241 3.779,243 1,245 1,246 1,247 356,248 2.739,251 41.412,252 113.453,254 78.701,258 1.202,259 25.69,261 1,262 1,263 1,264 1,265 1,266 1,267 1,268 1,269 1,270 44.333,271 167,272 4.409,273 5.042,274 6.994,275 4.277,276 3.314,277 3.802,278 4.84,279 11.901,280 3.205,281 4.125,282 4.121,283 6.331,284 3.831,285 2.825,286 3.394,287 2.308,288 9.405,289 2.842,290 3.722,291 3.713,292 5.545,293 3.32,294 2.382,295 3.048,296 2.178,297 6.992,298 2.229,299 3.354,300 3.375,301 5.13,302 3.018,303 2.09,304 2.485,305 0.995,306 5.955,307 1.894,308 3.08,309 2.912,310 5.005,311 2.908,312 2.011,313 2.105,315 5.841,316 1.751,317 2.756,318 2.728,319 4.575,320 2.415,321 1.432,322 1.744,324 4.197,325 1.358,326 2.5,327 2.308,328 3.845,329 2.176,330 1.23,331 1.5,333 2.854,334 1.132,335 2.244,336 1.965,337 3.521,338 2,339 1,340 1.236,342 2.275,343 1,344 2.055,345 1.474,346 3.414,347 1.66,348 0.714,349 0.871,350 1.806,351 0.634,352 1.44,353 1.4,354 2.769,355 1.159,356 0.349,357 0.363,358 0.526,359 0.273,360 1.114,361 1,362 2.508,363 0.725,364 -0.245,365 -0.301,366 -0.539,367 -0.173,368 1,369 0.92,370 2.367,371 0.601,372 -0.323,373 -0.394,374 -0.717,375 -0.316,376 0.5,377 0.474,378 2.151,379 0.158,380 -0.794,381 -0.811,382 -2.022,383 -0.702,384 0.289,385 0.152,386 2,388 -1,389 -1.173,390 -2.769,391 -0.913,392 0.104,393 -0.213,394 1.885,395 -0.17,396 -1.075,397 -1.5,398 -3,399 -0.979,400 11.048,401 0.526,402 0.559,403 0.027,404 21.25,405 1.012,406 9,407 0.429,408 12.25,409 0.583,410 23.823,411 1.134,412 22.552,413 0.593,414 11.102,415 0.529,416 2.734,417 0.13,418 7.379,419 0.351,420 0.17,422 0.362,424 0.478,425 0.898,426 0.635,427 0.767,428 0.474,429 0.837,430 0.565,431 1.113,432 0.976,433 1.112,434 0.522,435 1.012,436 0.977,437 1.024,438 0.919,439 0.985,440 1.012,441 0.991,442 1.24,443 1.071,444 1.092,445 1.151,446 1.382,447 1.007,448 1.302,449 1.117,450 1.153,451 1.217,452 1.449,453 1.056,454 0.861,455 1.038,456 0.841,457 0.976,458 0.967,459 1.048,460 0.868,461 0.913,462 0.72,463 0.793,464 0.891,465 0.947,466 0.821,467 0.984,468 0.862,469 0.859,470 0.745,471 0.986,472 4,473 0.012,474 2.889,475 2.229,476 1.491,477 0.771,478 0.415,479 0.207,480 0.183,481 0.101,482 3878,483 12507,484 2.045,485 44.7,486 4,487 8,488 1,491 3,492 1,494 1.637,495 1.881,496 2.987,497 -0.75,499 1,502 61.934,503 1.63,504 3.403,505 4.544,506 4.754,507 4.754,508 4.754,509 2.47,510 3.88,511 4.363,512 3.1,513 650.935,514 7.501,515 6668.77,517 1,518 1,519 1,520 199.421,521 1.51,522 4.305,523 0.174,524 0.004,525 0.088,526 0.064,527 0.047,528 0.03,529 0.018,530 0.012,531 0.015,532 0.017,533 0.468,534 0.5,535 1,536 0.874,537 92.789,538 -0.001,539 0.081,540 0.043,541 0.086,542 0.008,543 0.062,545 -0.08,546 -0.027,547 -0.057,548 0.017,549 -0.043,550 -0.049,551 -0.043,552 -0.018,553 -0.028,554 -0.041,555 -0.038,556 -0.083,557 -0.045,558 -0.064,559 -0.071,560 -0.107,561 -0.033,562 -0.157,563 -0.077,564 -0.165,565 -0.122,566 -0.136,567 -0.083,568 0.168,569 -0.075,570 -0.042,571 -0.075,572 0.177,573 -0.106,574 -0.028,575 0.026,576 0.11,577 0.092,578 -0.05,579 0.039,580 0.003,581 -0.07,582 0.047,583 0.012,584 -0.017,585 0.013,586 1.516,587 5.797,588 0.714,589 14.19,590 1.002,591 1.104,592 3.489,593 12.172,594 0.735,595 3.178,596 3.526,597 3.85,598 4.143,599 4.369,600 4.431,601 4.466,602 4.511,603 4.454,604 4.443,605 4.804,606 0.668,607 340.92,608 3.178,609 4.727,610 5.602,611 6.503,612 7.401,613 8.31,614 9.216,615 10.129,616 11.039,617 11.954,632 4,637 2,639 6,641 1,649 1,650 38,652 8,653 1,654 23,656 40,657 16,658 6,659 2,660 4,661 1,663 3,664 4,665 1,670 4,671 2,672 4,674 8,675 8,676 2,677 2,680 2,683 2,685 1,687 17,688 2,690 5,691 3,696 0.667,697 2,708 1,709 2,711 1,718 1,728 2,729 2,730 2,732 1,733 1,735 21,739 3,742 2,743 4,751 1,754 1,755 5.3,758 2,762 11.167,763 6.976,764 4.667,765 2.362,766 1.124,767 1.166,768 0.937,769 4.676,770 7.916,771 3.367,772 3.861,773 4.334,774 4.757,775 5.164,776 5.257,777 5.328,778 5.422,779 5.599,780 5.805,781 1,782 35,783 7.88,784 3.5,785 7.799,786 15.274,787 13.464,788 2.299,789 48.278,790 0.001,793 200.109,794 134.091,796 39.149,797 50.29,799 64.439,800 69.652,801 289.547,803 7.19,804 7.604,805 37.905,806 60.557,807 6.686,808 11.771,809 252.777,810 39.149,811 200.109,812 69.652,813 50.29,814 103.588,816 188.338,817 62.061,819 7.604,820 62.048,821 39.149,822 64.439,823 200.109,824 50.29,825 173.24,827 200.109,828 88.996,829 45.095,831 89.438,832 200.109,833 50.29,834 173.24,835 0.586,836 0.361,837 0.2,838 0.114,839 17,840 8,841 0.075,842 3,843 1,844 1.133,845 3.214,846 167.348,847 0.133,848 15,849 88.239,850 2,852 15.454,853 6.355,854 2.905,856 50.29,857 7.086,862 1.341,865 423.638,866 28,869 25.036,872 0.502,873 38.084,874 41.94,876 0.311,877 0.648,878 0.866,879 0.906,880 0.906,881 0.906,882 4.64,883 1,884 5.609,885 2.854,886 4.205,887 4.543,888 4.219,889 6.479,890 4.107,891 5.812,892 0.714,893 7.209,894 2.275,895 3.892,896 4.331,897 2.036,898 7.516,899 3.76,900 7.112,901 0.349,902 8.91,903 1.806,904 5.849,905 6.541,906 7.078,907 10.662,908 5.703,909 8.441,910 -0.245,911 10.673,912 0.526,913 6.365,914 7.104,915 3.746,916 12.552,917 6.198,918 9.804,919 -0.323,920 12.474,921 -0.539,922 7.816,923 8.836,924 10.171,925 15.24,926 7.636,927 11.188,928 -0.794,929 14.303,930 -0.717,931 8.703,932 9.736,933 5.379,934 17.475,935 8.501,936 12.589,937 -1,938 16.154,939 -2.022,940 9.971,941 11.278,942 13.313,943 20.014,944 9.751,945 3.314,946 -1.075,947 18.02,948 -2.769,949 11.025,950 12.345,951 6.973,952 22.388,953 10.776,954 2.825,955 11.901,956 19.9,957 -3,958 12.23,959 13.797,960 16.464,961 24.879,962 11.957,963 2.382,964 9.405,965 21.789,966 3.802,967 13.358,968 14.958,969 8.548,970 27.309,971 13.052,972 2.09,973 6.992,974 23.687,975 3.394,976 14.545,977 16.361,978 19.617,979 29.785,980 14.209,981 2.011,982 5.955,983 25.592,984 3.048,985 15.706,986 17.579,987 10.114,988 32.24,989 15.334,990 1.432,991 5.841,992 27.502,993 2.485,994 16.891,995 18.953,996 22.771,997 34.712,998 16.485,999 1.23,1000 4.197,1001 29.418,1002 2.105,1003 18.067,1004 20.209,1005 11.675,1006 37.177,1007 17.625,1008 3858,1009 6989,1010 15.027,1011 27.915,1012 35.02,1013 40.84,1014 37.069,1015 34.745,1016 34.696,1017 41.1,1018 20.643,1019 103.505,1020 32.635,1021 5.409,1022 7.042,1023 6.523,1024 5.413,1025 5.314,1026 6.802,1027 9.681,1028 19.462,1029 5.205,1030 11.005,1031 1.523,1032 1.776,1033 1.612,1034 1.511,1035 1.509,1036 1.787,1037 0.898,1038 4.5,1039 1.419,1040 4.009,1041 4.028,1042 4.185,1043 3.971,1044 7.428,1045 3.938,1046 3.867,1047 3.891,1048 3.983,1049 3.817,1050 7.423,1051 3.796,1052 3.461,1053 3.492,1054 3.631,1055 3.416,1056 4.931,1057 3.343,1058 3.313,1059 3.346,1060 3.54,1061 3.246,1062 4.302,1063 3.185,1064 3.109,1065 3.171,1066 3.297,1067 2.935,1068 4.221,1069 2.909,1070 3.037,1071 3.076,1072 3.013,1073 2.899,1074 3.923,1075 2.875,1076 2.854,1077 2.925,1078 2.808,1079 2.735,1080 3.674,1081 2.715,1082 2.614,1083 2.656,1084 2.687,1085 2.516,1086 3.662,1087 2.459,1088 0.192,1089 0.219,1090 0.304,1091 0.186,1092 0.144,1093 4.409,1094 0.165,1095 5.042,1096 0.21,1097 6.994,1098 0.517,1099 4.277,1100 0.139,1101 3.314,1102 3.802,1103 4.84,1104 11.901,1105 3.205,1106 1.922,1107 1.903,1108 2.054,1109 2.018,1110 1.461,1111 2.032,1112 1.844,1113 1.812,1114 1.971,1115 1.948,1116 1.107,1117 1.964,1118 1.458,1119 1.455,1120 1.557,1121 1.543,1122 0.974,1123 1.603,1124 1.323,1125 1.278,1126 1.532,1127 1.477,1128 0.899,1129 1.524,1130 1.095,1131 1.024,1132 1.412,1133 1.33,1134 0.603,1135 1.37,1136 1.006,1137 0.957,1138 1.237,1139 1.222,1140 0.498,1141 1.242,1142 0.886,1143 0.821,1144 1.181,1145 1.062,1146 0.218,1147 1.107,1148 0.781,1149 0.752,1150 0.931,1151 0.915,1152 0.138,1153 0.966,1154 3.85,1156 5.187,1157 2.398,1158 6.732,1159 4.844,1160 8.37,1161 7.066,1162 10.057,1164 2.033,1165 5.887,1169 2.594,1172 3.396,1173 0.402,1179 25.373,1180 61.934,1181 129.316,1182 172.666,1183 180.666,1184 180.666,1185 180.666,1186 48.422,1187 6.791,1188 34.14,1189 84.74,1190 17,1191 12.467,1192 3.17,1193 2.585,1194 32.002,1195 59,1196 68,1197 0.273,1198 166.018,1199 293.99,1200 396.844,1201 6748,1202 2.6,1203 14.983,1204 0.713,1205 0.673,1206 16.19,1207 14.14,1208 10.113,1209 0.44,1210 0.423,1211 7.321,1212 8.83,1213 6.874,1214 5.606,1215 11.368,1216 9.732,1217 9.096,1218 0.276,1219 0.26,1220 10.659,1221 8.582,1222 8.021,1223 0.174,1224 0.168,1225 9.811,1226 7.715,1227 6.682,1228 0.108,1229 0.105,1230 8.427,1231 6.512,1232 5.471,1233 0.07,1234 0.069,1235 7.266,1236 5.358,1237 0.409,1238 74.67,1239 0.258,1240 20.314,1241 0.807,1242 112,1243 309.395,1244 181.871,1245 367.448,1246 473.66,1247 342,1248 135,1249 274.564,1250 189.719,1251 310.114,1252 460.73,1253 291,1254 6.26}
{0 CHEMBL511685,1 1.702,2 8.818,3 3.197,4 10.22,5 83.699,6 8.363,7 0.458,8 3.744,9 3.855,10 3.411,11 3.305,12 4.875,13 3.288,14 4.292,15 4.467,16 3.821,17 3.708,18 5.387,19 3.676,20 4.519,21 4.702,22 3.951,23 3.839,24 5.713,25 3.801,26 4.576,27 4.758,28 3.95,29 3.829,30 5.837,31 3.802,32 4.528,33 4.715,34 3.872,35 3.722,36 5.862,37 3.682,38 4.398,39 4.603,40 3.569,41 3.567,42 5.692,43 3.476,44 4.241,45 4.468,46 3.296,47 3.407,48 5.319,49 3.27,50 4.071,51 4.327,52 2.877,53 3.19,54 5.015,55 3.03,56 0.041,57 0.559,58 6.386,59 3.28,60 6.151,61 4.138,62 0.239,63 0.912,64 14.25,65 5.633,66 18.389,67 7.389,68 0.311,69 1.054,70 21.12,71 7.464,72 41.774,73 9.584,74 0.508,75 1.1,76 21.584,77 7.003,78 52.25,79 8.737,80 0.513,81 1.014,82 21.21,83 6.618,84 59.92,85 8.316,86 0.475,87 0.838,88 19.282,89 6.31,90 82.089,91 7.798,92 0.346,93 0.689,94 21.103,95 5.894,96 42.513,97 7.618,98 0.249,99 0.595,100 14.428,101 5.023,102 34.04,103 6.712,104 30,105 35,106 0.306,107 0.66,108 0.828,109 0.869,110 0.869,111 0.869,112 3.148,113 0.951,114 -4.02,115 -3.97,116 -3.76,118 42.1,119 1,120 3,123 1,135 3,136 1,137 2,139 1,145 1,148 1,149 1,151 1,159 5,161 3,162 5,166 6,168 2,169 6,173 5,175 3,176 8,183 1,184 11,190 1,191 6,195 2,198 6,202 4,204 1,208 4,211 2,215 5,216 584,217 14.698,218 14.698,219 14.698,220 14.698,221 14.698,222 13.228,223 17.658,224 8.55,225 15.029,226 11.756,227 11.756,228 11.756,229 11.756,230 11.756,231 9.3,232 18.827,233 3.97,234 12.32,235 3.546,236 1.573,237 0.639,238 0.408,239 0.408,240 0.408,241 3.822,243 1,244 1,245 1,246 1,247 409,248 3.162,251 36.177,252 85.717,254 63.934,255 72.445,258 1.38,259 27.997,260 1,261 1,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 47.833,271 194,272 4.712,273 3.826,274 7.128,275 4.349,276 3.396,277 4.4,278 1.277,279 12.365,280 3.239,281 4.221,282 3.592,283 6.43,284 3.841,285 2.848,286 3.826,287 1.2,288 9.817,289 2.829,290 3.715,291 3.026,292 5.928,293 3.371,294 2.421,295 3.027,296 0.293,297 7.916,298 2.288,299 3.663,300 2.92,301 5.631,302 3.278,303 2.319,304 2.941,306 7.115,307 2.216,308 3.335,309 2.51,310 4.966,311 2.928,312 2.011,313 2.541,315 5.721,316 1.748,317 2.776,318 1.766,319 4.319,320 2.504,321 1.527,322 1.86,324 3.728,325 1.487,326 2.559,327 1.566,328 4.087,329 2.239,330 1.264,331 1.57,333 3.04,334 1.223,335 2.465,336 1.49,337 3.869,338 1.926,339 0.955,340 1.39,342 2.479,343 0.917,344 2.324,345 1.157,346 3.272,347 1.896,348 0.914,349 1.211,350 2.067,351 0.883,352 1.79,353 0.814,354 3.222,355 1.346,356 0.355,357 0.47,358 0.837,359 0.347,360 1.292,361 0.67,362 2.765,363 1.141,364 0.118,365 0.13,366 0.185,367 0.119,368 1.195,369 0.373,370 2.364,371 0.736,372 -0.146,373 -0.185,374 -0.351,375 -0.107,376 0.689,377 -0.256,378 2.26,379 0.21,380 -0.764,381 -0.934,382 -1.8,383 -0.625,384 0.461,385 -0.369,386 2,387 0.084,388 -0.87,389 -1.095,390 -2.086,391 -0.838,392 0.204,393 -0.62,394 2,395 0.026,396 -1,397 -1.188,398 -2.388,399 -1.02,400 10.581,401 0.481,402 0.631,403 0.029,404 28.25,405 1.284,406 13.5,407 0.614,408 14.75,409 0.67,410 17.883,411 0.813,412 23.619,413 0.622,414 20.271,415 0.921,416 5.278,417 0.24,418 5.263,419 0.239,420 0.225,422 0.406,424 0.613,425 1.496,426 0.583,427 1.048,428 0.504,429 0.94,430 0.631,431 0.993,432 0.596,433 0.785,434 0.533,435 0.766,436 0.895,437 1.155,438 0.804,439 0.972,440 0.892,441 0.867,442 1.254,443 1.031,444 0.847,445 0.837,446 1.384,447 0.852,448 1.135,449 1.1,450 0.86,451 1.075,452 1.243,453 1.052,454 1.376,455 0.951,456 0.999,457 0.891,458 1.433,459 1.023,460 1.172,461 0.922,462 1.475,463 1.183,464 1.028,465 1.183,466 0.97,467 0.829,468 0.851,469 0.935,470 1.03,471 1.076,472 4,473 0.037,474 3.111,475 1.965,476 2.215,477 1.008,478 0.526,479 0.278,480 0.16,481 0.061,482 4191,483 12826,484 2.017,485 42.1,486 7,487 6,489 1,491 2,494 1.65,495 1.833,496 3.067,497 -0.717,498 1,499 1,501 1,502 64.666,503 1.702,504 3.675,505 4.609,506 4.84,507 4.84,508 4.84,509 2.642,510 4.278,511 4.422,512 3.164,513 730.897,514 7.631,515 7600.94,516 1,517 1,518 1,519 1,520 199.421,521 1.544,522 4.36,523 0.167,524 0.009,525 0.089,526 0.05,527 0.058,528 0.033,529 0.024,530 0.017,531 0.015,532 0.008,533 0.469,534 0.5,535 1,536 1.499,537 98.58,538 -0.022,539 -0.314,540 0.03,541 -0.106,542 -0.022,543 -0.037,544 0.097,545 0.133,546 0.138,547 0.139,548 0.045,549 0.157,550 0.032,551 -0.132,552 0.083,553 -0.009,554 0.03,555 0.085,556 -0.07,557 0.028,558 -0.021,559 0.067,560 -0.121,561 0.036,562 0.032,563 -0.06,564 -0.016,565 -0.17,566 0.014,567 -0.156,568 -0.15,569 0.013,570 -0.089,571 0.049,572 -0.03,573 -0.089,574 -0.157,576 -0.242,577 -0.167,578 -0.099,579 -0.179,580 -0.121,581 0.073,582 -0.05,583 0.024,584 -0.104,585 -0.06,586 1.852,587 5.533,588 0.591,589 16.686,590 1.012,591 1.125,592 2.787,593 7.769,594 0.687,595 3.219,596 3.584,597 3.932,598 4.263,599 4.543,600 4.691,601 4.804,602 4.942,603 4.949,604 4.787,605 4.929,606 0.658,607 317.8,608 3.219,609 4.779,610 5.666,611 6.583,612 7.501,613 8.429,614 9.357,615 10.291,616 11.224,617 12.161,618 7.9,623 1,624 1,626 1,632 4,633 1,637 5,638 1,639 11,641 1,642 1,649 1,650 38,652 13,653 1,654 24,656 40,657 16,658 9,659 3,660 3,661 2,663 3,664 6,665 1,667 1,672 3,674 11,675 5,677 2,680 2,683 2,684 1,685 1,687 16,688 4,690 6,691 1,692 1,694 3,696 0.333,697 2,708 1,709 2,711 1,712 1,728 1,732 2,733 1,735 22,739 3,744 1,754 1,755 5.3,758 2,762 12,763 7.66,764 4.889,765 2.522,766 2.406,767 1.338,768 0.98,769 3.959,770 9.526,771 3.481,772 4.09,773 4.733,774 5.35,775 5.873,776 6.265,777 6.644,778 7.016,779 7.325,780 7.432,781 1,782 39,783 8.171,784 3.546,785 7.922,786 15.355,787 12.648,788 2.422,789 53.278,793 188.338,794 86.238,795 21.809,796 39.149,797 50.29,800 86.238,801 277.776,802 21.809,803 17.222,804 10.728,805 28.429,806 97.303,807 16.427,809 176.567,810 39.149,811 188.338,812 108.047,813 50.29,814 39.149,816 188.338,817 50.29,819 35.155,820 56.106,821 55.934,823 188.338,824 72.099,825 125.387,827 188.338,828 31.969,829 59.292,831 106.224,832 188.338,833 72.099,834 125.387,835 0.585,836 0.359,837 0.201,838 0.119,839 18,840 9,841 0.1,842 4,843 2,844 1.308,845 3.24,846 181.903,847 0.308,848 13,849 98.107,852 15.104,853 5.767,854 2.451,856 70.2,857 6.719,858 4.243,862 2.589,863 1.77,865 385.823,866 31.5,869 24.853,872 -0.22,873 38.469,874 42.764,876 0.324,877 0.7,878 0.878,879 0.922,880 0.922,881 0.922,882 4.743,883 0.955,884 5.687,885 3.04,886 4.263,887 4.775,888 1.966,889 6.592,890 4.177,891 5.972,892 0.914,893 7.309,894 2.479,895 4.007,896 4.718,897 0.325,898 7.684,899 3.86,900 7.307,901 0.355,902 9.034,903 2.067,904 5.938,905 6.998,906 2.288,907 10.866,908 5.776,909 8.683,910 0.118,911 10.82,912 0.837,913 6.509,914 7.775,915 0.653,916 12.783,917 6.298,918 10.093,919 -0.146,920 12.644,921 0.185,922 7.944,923 9.547,924 2.666,925 15.512,926 7.708,927 11.529,928 -0.764,929 14.494,930 -0.351,931 8.876,932 10.692,933 1.001,934 17.766,935 8.593,936 12.984,937 -0.87,938 16.363,939 -1.8,940 10.145,941 12.276,942 3.069,943 20.347,944 9.827,945 3.396,946 -1,947 18.246,948 -2.086,949 11.234,950 13.592,951 1.37,952 22.746,953 10.868,954 2.848,955 12.365,956 20.141,957 -2.388,958 12.453,959 15.102,960 3.49,961 25.276,962 12.044,963 2.421,964 9.817,965 22.045,966 4.4,967 13.611,968 16.498,969 1.754,970 27.737,971 13.152,972 2.319,973 7.916,974 23.958,975 3.826,976 14.818,977 17.981,978 3.924,979 30.253,980 14.312,981 2.011,982 7.115,983 25.877,984 3.027,985 16.006,986 19.415,987 2.143,988 32.741,989 15.45,990 1.527,991 5.721,992 27.801,993 2.941,994 17.214,995 20.889,996 4.369,997 35.252,998 16.608,999 1.264,1000 3.728,1001 29.731,1002 2.541,1003 18.417,1004 22.342,1005 2.535,1006 37.754,1007 17.76,1008 4249,1009 7573,1010 15.433,1011 26.114,1012 36.869,1013 38.778,1014 39.37,1015 36.555,1016 36.257,1017 46.734,1018 5.541,1019 110.541,1020 34.593,1021 5.606,1022 5.826,1023 6.991,1024 5.421,1025 5.396,1026 7.4,1027 2.555,1028 20.365,1029 5.239,1030 12.656,1031 1.536,1032 1.616,1033 1.64,1034 1.523,1035 1.511,1036 1.947,1037 0.231,1038 4.606,1039 1.441,1040 4.102,1041 4.14,1042 4.116,1043 3.97,1044 7.43,1045 3.989,1046 3.777,1047 3.809,1048 3.852,1049 3.67,1050 7.424,1051 3.676,1052 3.633,1053 3.694,1054 3.547,1055 3.489,1056 4.977,1057 3.481,1058 3.394,1059 3.456,1060 3.363,1061 3.163,1062 4.816,1063 3.185,1064 3.261,1065 3.326,1066 3.195,1067 3.045,1068 4.222,1069 3.054,1070 2.988,1071 3.041,1072 3.068,1073 2.806,1074 4.136,1075 2.792,1076 2.858,1077 2.916,1078 2.776,1079 2.735,1080 4.004,1081 2.715,1082 2.735,1083 2.794,1084 2.556,1085 2.497,1086 3.6,1087 2.495,1088 0.196,1089 0.159,1090 0.297,1091 0.181,1092 0.142,1093 4.712,1094 0.183,1095 3.826,1096 0.053,1097 7.128,1098 0.515,1099 4.349,1100 0.135,1101 3.396,1102 4.4,1103 1.277,1104 12.365,1105 3.239,1106 1.952,1107 1.931,1108 2.009,1109 2.074,1110 1.273,1111 2.056,1112 1.74,1113 1.692,1114 1.977,1115 1.905,1116 1.16,1117 1.93,1118 1.515,1119 1.464,1120 1.695,1121 1.705,1122 0.827,1123 1.708,1124 1.355,1125 1.297,1126 1.613,1127 1.588,1128 0.73,1129 1.592,1130 1.213,1131 1.141,1132 1.388,1133 1.476,1134 0.482,1135 1.465,1136 1.022,1137 0.948,1138 1.298,1139 1.259,1140 0.352,1141 1.286,1142 0.96,1143 0.895,1144 1.18,1145 1.185,1146 0.234,1147 1.177,1148 0.709,1149 0.667,1150 1.02,1151 0.942,1152 0.152,1153 0.97,1154 3.892,1156 5.242,1157 2.398,1158 6.804,1159 4.727,1160 8.476,1161 6.88,1162 10.213,1164 3.682,1165 5.98,1169 2.197,1174 1.463,1179 25.009,1180 64.666,1181 139.647,1182 175.157,1183 183.911,1184 183.911,1185 183.911,1186 44.519,1187 7.12,1188 56.37,1189 56.37,1190 17,1191 12.659,1192 3.807,1193 3.087,1194 34.287,1195 64,1196 83,1197 0.279,1198 158.284,1199 273.79,1200 377.973,1201 9981,1202 2.6,1203 15.853,1204 0.721,1205 0.601,1206 16.353,1207 13.223,1208 10.541,1209 0.439,1210 0.317,1211 7.16,1212 9.855,1213 6.918,1214 5.77,1215 10.83,1216 7.606,1217 9.566,1218 0.273,1219 0.165,1220 9.974,1221 5.776,1222 8.445,1223 0.169,1224 0.081,1225 8.707,1226 4.07,1227 7.096,1228 0.101,1229 0.04,1230 7.315,1231 2.83,1232 6.037,1233 0.065,1234 0.021,1235 6.328,1236 1.976,1237 0.417,1238 69.189,1239 0.255,1240 21.093,1241 0.831,1242 118,1243 370.61,1244 144.831,1245 386.007,1246 516.19,1247 358,1248 144,1249 359.643,1250 167.181,1251 372.497,1252 553.78,1253 350,1254 6.78}
{0 CHEMBL518197,1 1.612,2 10.345,3 4.046,4 16.371,5 108.474,6 7.548,7 0.344,8 4.065,9 4.178,10 3.764,11 3.819,12 5.123,13 3.69,14 4.642,15 4.819,16 4.087,17 4.191,18 5.696,19 4.06,20 4.921,21 5.113,22 4.184,23 4.271,24 5.99,25 4.191,26 5.018,27 5.234,28 4.29,29 4.302,30 6.143,31 4.228,32 4.899,33 5.056,34 4.219,35 4.295,36 6.111,37 4.211,38 4.93,39 5.116,40 4.073,41 4.239,42 6.072,43 4.121,44 4.919,45 5.163,46 3.896,47 4.098,48 6.003,49 3.954,50 4.706,51 4.948,52 3.757,53 4.028,54 5.672,55 3.827,56 0.02,57 0.884,58 12.452,59 7.133,60 8.506,61 7.558,62 0.443,63 1.548,64 28.988,65 14.898,66 35.735,67 14.706,68 0.322,69 1.676,70 29.263,71 11.851,72 42.68,73 15.461,74 0.489,75 1.803,76 35.072,77 13.564,78 65.089,79 16.86,80 0.484,81 1.703,82 30.538,83 12.577,84 65.741,85 13.916,86 0.34,87 1.677,88 31.287,89 13.056,90 58.474,91 15.386,92 0.709,93 1.585,94 35.106,95 13.023,96 100.803,97 16.22,98 0.199,99 1.374,100 27.365,101 12.334,102 38.216,103 14.492,104 49,105 48,106 0.266,107 0.603,108 0.783,109 0.81,110 0.81,111 0.81,112 3.409,113 1.268,114 -4.71,115 -4.63,116 -4.35,118 40.7,119 1,120 2,123 3,124 2,126 1,133 1,134 1,135 3,136 2,137 1,139 1,144 1,149 2,151 1,159 6,161 3,162 7,166 6,168 3,169 5,173 4,175 4,176 12,180 2,183 2,184 11,187 3,190 1,191 8,195 4,197 2,198 6,202 4,204 2,208 3,211 3,215 2,216 1172,217 19.162,218 19.162,219 19.162,220 19.162,221 19.162,222 17.561,223 22.861,224 10.974,225 19.585,226 15.748,227 15.748,228 15.748,229 15.748,230 15.748,231 12.941,232 23.921,233 5.1,234 16.318,235 4.143,236 2.106,237 1.015,238 0.853,239 0.853,240 0.853,241 4.098,245 1,246 1,247 637,248 4.183,251 90.978,252 51.699,253 56.353,255 171.413,256 93.264,258 1.807,259 34.232,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 61.833,271 300,272 4.7,273 3.847,274 7.152,275 4.368,276 3.409,277 4.378,278 1.674,279 12.515,280 3.271,281 4.381,282 3.67,283 6.54,284 4.104,285 3.105,286 3.916,287 1.23,288 10.197,289 3.104,290 4.245,291 3.178,292 6.397,293 3.909,294 2.921,295 3.48,296 0.521,297 9.96,298 2.879,299 3.921,300 3.147,301 6.307,302 3.693,303 2.743,304 3.108,306 9.411,307 2.603,308 3.731,309 2.98,310 5.773,311 3.343,312 2.378,313 2.995,315 7.583,316 2.285,317 3.58,318 2.706,319 5.289,320 3.227,321 2.228,322 2.738,324 6.706,325 2.212,326 3.052,327 2.152,328 4.7,329 2.586,330 1.622,331 2.093,333 4.374,334 1.555,335 2.92,336 1.812,337 4.601,338 2.293,339 1.342,340 1.694,342 4.036,343 1.273,344 2.644,345 1.541,346 4.036,347 2.17,348 1.23,349 1.572,350 3.014,351 1.149,352 2.484,353 1.483,354 3.737,355 2.099,356 1.122,357 1.393,358 2.691,359 1.088,360 2.445,361 1.175,362 3.449,363 1.794,364 0.822,365 1.212,366 1.773,367 0.79,368 2.064,369 1.124,370 3.375,371 1.631,372 0.637,373 0.923,374 1.617,375 0.629,376 1.859,377 0.781,378 3.318,379 1.582,380 0.618,381 0.736,382 1.366,383 0.592,384 1.836,385 0.682,386 2.971,387 1.546,388 0.528,389 0.661,390 1.236,391 0.532,392 1.144,393 0.279,394 2.712,395 0.74,396 -0.241,397 -0.299,398 -0.624,399 -0.235,400 14.45,401 0.498,402 0.96,403 0.033,404 35,405 1.207,406 15,407 0.517,408 20,409 0.69,410 28.383,411 0.979,412 30.55,413 0.566,414 28.488,415 0.982,416 6.028,417 0.208,418 7.77,419 0.268,420 0.185,421 0.087,422 0.332,424 0.801,425 1.337,426 0.852,427 1.303,428 0.582,429 1.016,430 0.783,431 1.402,432 1.253,433 2.013,434 0.479,435 1.269,436 0.752,437 0.945,438 0.779,439 0.573,440 0.722,441 0.857,442 0.963,443 0.792,444 0.655,445 0.522,446 1.327,447 0.65,448 1.477,449 1.059,450 1.143,451 0.921,452 1.713,453 1.015,454 1.202,455 1.079,456 1.11,457 0.878,458 1.221,459 1.114,460 1.085,461 0.893,462 0.873,463 0.774,464 0.946,465 0.892,466 0.861,467 1.042,468 0.924,469 0.917,470 0.836,471 0.999,472 6.5,473 0.182,474 3.778,475 2.021,476 2.528,477 1.341,478 0.968,479 0.565,480 0.419,481 0.31,482 9190,483 22318,484 2.041,485 46.3,487 17,489 1,492 7,494 1.725,495 1.861,496 3.251,497 -0.751,499 1,502 87.05,503 1.612,504 3.648,505 4.74,506 4.902,507 4.902,508 4.902,509 2.802,510 4.694,511 4.819,512 3.466,513 1407.24,514 8.434,515 17904.5,517 1,519 1,520 310.764,521 1.694,522 4.757,523 0.203,524 0.011,525 0.079,526 0.039,527 0.044,528 0.026,529 0.023,530 0.017,531 0.015,532 0.013,533 0.47,534 0.33,535 1,536 1.436,537 143.845,538 0.003,539 -0.069,540 0.141,541 0.128,542 -0.041,543 0.093,544 0.267,545 -0.043,546 -0.051,547 -0.209,548 0.159,549 -0.039,550 0.061,551 -0.044,552 0.01,553 -0.021,554 0.016,555 -0.033,556 0.099,557 0.109,558 0.222,559 0.119,560 -0.043,561 0.2,562 -0.132,563 -0.017,564 -0.221,565 -0.052,566 -0.181,567 -0.135,568 -0.091,569 -0.128,570 -0.226,571 -0.12,572 -0.084,573 -0.239,574 -0.037,575 -0.033,576 0.067,577 0.005,578 0.116,579 0.031,580 -0.025,581 -0.086,582 0.046,583 0.055,584 0.016,585 -0.004,586 2.216,587 6.381,588 0.586,589 28.887,590 0.996,591 1.119,592 3.483,593 12.131,594 0.7,595 3.497,596 3.892,597 4.19,598 4.543,599 4.828,600 5.088,601 5.303,602 5.497,603 5.67,604 5.74,605 6.007,606 0.646,607 407.59,608 3.497,609 5.081,610 5.958,611 6.887,612 7.794,613 8.729,614 9.651,615 10.59,616 11.52,617 12.461,618 5.6,623 1,624 1,626 1,632 4,633 1,637 5,638 1,639 11,642 1,643 1,650 54,652 14,653 1,654 32,656 57,657 22,658 9,659 3,660 3,661 2,663 4,664 11,667 1,670 3,672 3,673 2,674 11,675 9,677 2,680 2,683 2,685 1,687 25,688 5,690 7,691 1,692 1,694 3,696 0.25,697 3,705 1,708 2,709 1,710 1,712 2,713 1,715 2,728 1,732 4,735 29,739 4,741 1,743 1,744 1,746 1,747 1,753 2,755 5.6,758 2,760 1,762 15.583,763 11.267,764 6.208,765 3.59,766 2.887,767 1.354,768 1.001,769 5.336,770 11.046,771 3.75,772 4.341,773 4.967,774 5.558,775 6.097,776 6.576,777 7.053,778 7.488,779 7.894,780 8.225,781 1,782 52,783 10.867,784 4.8,785 7.748,786 20.958,787 18.198,788 2.248,789 65.194,791 1,792 1,793 188.338,794 113.175,795 35.47,797 50.29,800 106.402,801 241.692,802 36.45,803 8.825,804 8.852,805 56.857,806 77.97,807 31.313,808 11.771,809 176.567,811 188.338,812 145.453,813 57.643,816 188.338,817 54.454,819 32.144,820 83.927,821 33.816,823 200.109,824 83.099,825 128.737,827 188.338,828 34.329,829 77.058,831 97.742,832 188.338,833 89.637,834 128.737,835 0.594,836 0.337,837 0.19,838 0.109,839 25,840 12,841 0.053,842 3,843 3,844 1.353,845 3.781,846 276.882,847 0.353,848 17,849 136.127,852 20.23,853 7.65,854 3.756,856 84.195,857 7.343,858 4.361,862 3.22,863 1.88,865 414.867,866 41.5,869 25.871,872 -0.459,873 53.785,874 60.414,875 1,876 0.28,877 0.634,878 0.824,879 0.852,880 0.852,881 0.852,882 5.055,883 1.342,884 6.009,885 4.374,886 4.575,887 5.027,888 2.306,889 6.923,890 4.514,891 6.303,892 1.23,893 7.636,894 4.036,895 4.443,896 4.956,897 0.325,898 8.138,899 4.377,900 7.652,901 1.122,902 9.368,903 3.014,904 6.308,905 7.23,906 3.033,907 11.214,908 6.195,909 9.035,910 0.822,911 11.159,912 2.691,913 6.957,914 7.965,915 0.74,916 13.183,917 6.833,918 10.449,919 0.637,920 12.986,921 1.773,922 8.356,923 9.743,924 3.921,925 15.846,926 8.193,927 11.884,928 0.618,929 14.837,930 1.617,931 9.314,932 10.838,933 1.168,934 18.107,935 9.13,936 13.335,937 0.528,938 16.704,939 1.366,940 10.56,941 12.424,942 4.883,943 20.647,944 10.343,945 3.409,946 -0.241,947 18.583,948 1.236,949 11.647,950 13.697,951 1.605,952 23.039,953 11.402,954 3.105,955 12.515,956 20.472,957 -0.624,958 12.845,959 15.203,960 5.881,961 25.544,962 12.568,963 2.921,964 10.197,965 22.369,966 4.378,967 13.989,968 16.567,969 2.049,970 27.998,971 13.68,972 2.743,973 9.96,974 24.272,975 3.916,976 15.177,977 18.041,978 6.895,979 30.499,980 14.833,981 2.378,982 9.411,983 26.182,984 3.48,985 16.348,986 19.451,987 2.494,988 32.984,989 15.969,990 2.228,991 7.583,992 28.096,993 3.108,994 17.538,995 20.915,996 7.918,997 35.49,998 17.122,999 1.622,1000 6.706,1001 30.015,1002 2.995,1003 18.724,1004 22.351,1005 2.938,1006 37.992,1007 18.27,1008 9061,1009 14310,1010 20.69,1011 37.813,1012 51.414,1013 51.851,1014 51.349,1015 49.39,1016 49.411,1017 61.8,1018 6.852,1019 152.959,1020 47.921,1021 5.651,1022 5.847,1023 6.921,1024 5.437,1025 5.409,1026 7.378,1027 3.349,1028 20.281,1029 5.271,1030 17.274,1031 1.607,1032 1.62,1033 1.605,1034 1.543,1035 1.544,1036 1.931,1037 0.214,1038 4.78,1039 1.498,1040 4.12,1041 4.158,1042 4.182,1043 4.563,1044 7.434,1045 4.049,1046 3.823,1047 3.851,1048 4.064,1049 3.983,1050 7.427,1051 3.931,1052 3.713,1053 3.769,1054 3.732,1055 3.704,1056 4.943,1057 3.691,1058 3.658,1059 3.699,1060 3.621,1061 3.515,1062 4.783,1063 3.535,1064 3.498,1065 3.561,1066 3.363,1067 3.276,1068 4.455,1069 3.276,1070 3.212,1071 3.232,1072 3.155,1073 3.08,1074 4.386,1075 3.086,1076 3.108,1077 3.126,1078 3.008,1079 2.913,1080 4.224,1081 2.927,1082 2.939,1083 3.009,1084 2.843,1085 2.737,1086 3.97,1087 2.771,1088 0.147,1089 0.12,1090 0.224,1091 0.137,1092 0.107,1093 4.7,1094 0.137,1095 3.847,1096 0.052,1097 7.152,1098 0.391,1099 4.368,1100 0.102,1101 3.409,1102 4.378,1103 1.674,1104 12.515,1105 3.271,1106 1.959,1107 1.941,1108 2.008,1109 2.022,1110 1.334,1111 2.02,1112 1.796,1113 1.766,1114 1.864,1115 1.86,1116 1.247,1117 1.845,1118 1.683,1119 1.65,1120 1.808,1121 1.752,1122 1.118,1123 1.778,1124 1.537,1125 1.473,1126 1.783,1127 1.739,1128 1.042,1129 1.761,1130 1.488,1131 1.427,1132 1.719,1133 1.611,1134 0.938,1135 1.745,1136 1.307,1137 1.247,1138 1.424,1139 1.542,1140 0.508,1141 1.521,1142 1.249,1143 1.216,1144 1.417,1145 1.44,1146 0.469,1147 1.422,1148 0.934,1149 0.888,1150 1.417,1151 1.239,1152 0.469,1153 1.308,1154 4.174,1156 5.549,1157 3.045,1158 7.099,1159 5.416,1160 8.735,1161 7.573,1162 10.424,1164 8.352,1169 2.657,1171 5.207,1173 -0.173,1174 1.859,1176 -1.522,1178 6.599,1179 34.888,1180 87.05,1181 197.015,1182 255.97,1183 264.725,1184 264.725,1185 264.725,1186 64.772,1187 8.159,1188 64.43,1189 64.43,1190 23,1191 12.958,1192 3.907,1193 3.392,1194 44.464,1195 106,1196 112,1197 0.22,1198 214.98,1199 389.04,1200 516.312,1201 37735,1203 20.759,1204 0.716,1205 0.63,1206 21.009,1207 18.282,1208 13.798,1209 0.431,1210 0.423,1211 10.265,1212 12.565,1213 9.519,1214 7.938,1215 14.725,1216 13.528,1217 13.472,1218 0.281,1219 0.275,1220 14.878,1221 13.207,1222 10.683,1223 0.164,1224 0.093,1225 11.13,1226 6.046,1227 9.376,1228 0.101,1229 0.048,1230 9.695,1231 4.448,1232 7.717,1233 0.062,1234 0.026,1235 8.088,1236 3.205,1237 0.334,1238 93.793,1239 0.22,1240 26.815,1241 0.642,1242 160,1243 445.643,1244 195.913,1245 436.512,1246 601.49,1247 408,1248 193,1249 441.405,1250 233.734,1251 456.284,1252 677.49,1253 428,1254 8.398}
{0 CHEMBL52030,1 1.629,2 8.68,3 2.065,4 4.263,5 90.07,6 7.759,7 0.393,8 3.915,9 4.017,10 3.524,11 3.4,12 5.027,13 3.413,14 4.494,15 4.657,16 3.92,17 3.809,18 5.6,19 3.811,20 4.719,21 4.901,22 4.078,23 4.005,24 5.809,25 3.992,26 4.793,27 4.948,28 4.183,29 4.067,30 6.032,31 4.07,32 4.859,33 5.035,34 4.059,35 4.054,36 6.072,37 4.02,38 4.763,39 4.955,40 3.864,41 3.86,42 5.925,43 3.822,44 4.656,45 4.868,46 3.559,47 3.626,48 5.89,49 3.571,50 4.437,51 4.678,52 3.106,53 3.522,54 5.301,55 3.364,56 0.072,57 0.653,58 8.464,59 3.95,60 7.385,61 4.9,62 0.469,63 1.073,64 18.277,65 6.431,66 33.021,67 8.375,68 0.49,69 1.314,70 23.487,71 8.377,72 41.032,73 11.099,74 0.563,75 1.407,76 24.468,77 8.744,78 54.118,79 11.112,80 0.828,81 1.426,82 27.717,83 9.187,84 79.73,85 11.897,86 0.517,87 1.231,88 25.511,89 8.42,90 59.315,91 10.985,92 0.912,93 0.986,94 25.72,95 7.216,96 104.967,97 9.251,98 0.375,99 0.844,100 19.777,101 7.146,102 36.782,103 9.769,104 23,105 41,106 0.282,107 0.642,108 0.843,109 0.877,110 0.877,111 0.877,112 3.269,113 0.899,114 -3.4,115 -3.38,116 -3.23,118 40.9,119 1,120 2,123 1,124 2,126 1,135 3,136 1,137 2,139 1,144 1,149 2,151 1,159 3,161 3,162 9,166 2,168 3,169 7,173 2,175 4,176 9,180 2,183 5,184 8,187 3,190 1,191 7,195 2,197 3,198 7,202 2,208 3,210 2,211 1,215 2,216 747,217 17.223,218 17.223,219 17.223,220 17.223,221 17.223,222 15.806,223 24.377,224 9.948,225 17.824,226 13.697,227 13.697,228 13.697,229 13.697,230 13.697,231 11.248,232 27.702,233 4.502,234 14.456,235 3.83,236 1.758,237 0.597,238 0.398,239 0.398,240 0.398,241 3.963,244 1,245 1,246 1,247 468,248 3.24,251 69.292,252 41.809,253 43.671,255 132.783,256 73.437,258 1.322,259 32.329,261 1,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 55.5,271 217,272 4.698,273 3.847,274 7.152,275 4.368,276 3.409,277 4.374,278 1.674,279 12.515,280 3.268,281 4.281,282 3.669,283 6.54,284 3.908,285 2.924,286 3.881,287 1.23,288 10.194,289 2.871,290 3.923,291 3.178,292 6.307,293 3.69,294 2.744,295 3.143,296 0.86,297 9.411,298 2.591,299 3.706,300 2.991,301 5.773,302 3.329,303 2.38,304 3.013,305 0.521,306 7.576,307 2.249,308 3.518,309 2.693,310 5.273,311 3.19,312 2.231,313 2.72,315 6.598,316 2.119,317 2.974,318 2.152,319 4.7,320 2.583,321 1.621,322 2.083,324 4.374,325 1.549,326 2.651,327 1.812,328 4.598,329 2.289,330 1.341,331 1.685,333 4.016,334 1.268,335 2.516,336 1.55,337 4.035,338 2.165,339 1.228,340 1.507,342 3.002,343 1.146,344 2.447,345 1.489,346 3.737,347 2.092,348 1.121,349 1.39,350 2.69,351 1.078,352 2.069,353 1.211,354 3.448,355 1.759,356 0.801,357 0.96,358 1.738,359 0.754,360 1.862,361 1.125,362 3.318,363 1.582,364 0.618,365 0.738,366 1.368,367 0.592,368 1.839,369 0.963,370 3.003,371 1.554,372 0.534,373 0.661,374 1.267,375 0.538,376 1.639,377 0.712,378 2.837,379 1.338,380 0.464,381 0.53,382 0.742,383 0.402,384 0.969,385 0.283,386 2.57,387 0.624,388 -0.325,389 -0.379,390 -0.703,391 -0.304,392 0.681,393 -0.02,394 2.283,395 0.395,396 -0.584,397 -0.677,398 -0.931,399 -0.559,400 11.533,401 0.461,402 0.607,403 0.024,404 31,405 1.24,406 13.5,407 0.54,408 17.5,409 0.7,410 21.348,411 0.854,412 27.467,413 0.624,414 24.249,415 0.97,416 6.059,417 0.242,418 6.093,419 0.244,420 0.145,422 0.416,424 0.746,425 1.543,426 0.703,427 1.249,428 0.532,429 1.012,430 0.909,431 1.051,432 0.793,433 0.847,434 0.551,435 0.794,436 0.866,437 1.014,438 0.773,439 0.883,440 0.692,441 0.814,442 1.058,443 1.167,444 0.91,445 1.047,446 1.424,447 0.96,448 1.121,449 1.031,450 1.143,451 1.013,452 1.495,453 1.068,454 1.211,455 1.22,456 1.16,457 1.278,458 1.221,459 1.21,460 1.551,461 0.726,462 1.293,463 0.83,464 1.332,465 0.97,466 0.883,467 1.027,468 1.208,469 1.21,470 0.696,471 1.284,472 4,473 0.029,474 3.333,475 1.896,476 2.208,477 1.146,478 0.784,479 0.326,480 0.252,481 0.066,482 5842,483 16618,484 2.105,485 43.2,487 11,489 1,492 7,494 1.691,495 1.948,496 3.019,497 -0.711,498 1,499 1,501 1,502 71.691,503 1.629,504 3.701,505 4.863,506 5.061,507 5.061,508 5.061,509 2.549,510 4.564,511 4.609,512 3.128,513 938.396,514 8.032,515 10529.6,517 1,519 1,520 240.215,521 1.473,522 4.565,523 0.143,524 0.007,525 0.081,526 0.039,527 0.042,528 0.026,529 0.023,530 0.014,531 0.017,532 0.009,533 0.402,534 0.33,535 1,536 1.272,537 115.741,538 -0.037,539 -0.343,540 0.077,541 -0.166,542 -0.013,543 -0.046,544 0.028,545 0.064,546 0.112,547 0.142,548 0.076,549 0.145,551 0.063,552 0.142,553 0.113,554 0.052,555 0.151,556 -0.036,557 -0.07,558 0.002,559 -0.059,560 -0.12,561 -0.03,562 -0.04,563 0.023,564 -0.195,565 -0.048,566 -0.158,567 -0.14,568 -0.136,569 -0.218,570 -0.189,571 -0.32,572 -0.092,573 -0.268,574 -0.141,575 0.18,576 -0.22,577 0.087,578 0.033,579 -0.049,580 -0.094,581 -0.135,582 -0.232,583 -0.196,584 -0.046,585 -0.241,586 2.118,587 6.08,588 0.68,589 18.736,590 1.016,591 1.129,592 2.168,593 4.699,594 0.657,595 3.367,596 3.738,597 4.127,598 4.489,599 4.762,600 5.03,601 5.226,602 5.38,603 5.529,604 5.568,605 4.922,606 0.639,607 341.4,608 3.367,609 4.934,610 5.838,611 6.763,612 7.691,613 8.628,614 9.565,615 10.507,616 11.449,617 12.392,618 6.8,623 1,624 1,626 1,632 4,633 1,637 5,638 1,639 11,642 1,643 1,648 1,650 44,652 13,653 1,654 28,656 47,657 18,658 9,659 3,660 3,661 2,663 4,664 11,667 1,670 3,672 3,674 11,675 7,677 2,680 2,683 2,684 1,685 1,687 19,688 6,690 7,692 1,694 3,696 0.25,697 4,705 1,708 2,709 1,710 1,712 2,713 1,728 1,732 2,735 25,739 4,741 2,743 1,744 1,755 9.1,758 2,760 2,762 12.833,763 8.683,764 5.583,765 2.861,766 2.419,767 1.308,768 0.978,769 4.098,770 10.282,771 3.597,772 4.186,773 4.833,774 5.448,775 5.956,776 6.402,777 6.818,778 7.18,779 7.541,780 7.807,781 1,782 48,783 9.319,784 4.102,785 7.86,786 17.613,787 14.796,788 2.36,789 59,793 223.651,794 97.118,795 21.809,797 72.29,800 97.118,801 295.941,802 21.809,803 19.708,804 14.891,805 28.429,806 99.361,807 37.841,808 2.757,809 211.88,811 223.651,812 118.927,813 72.29,816 141.253,817 154.687,819 36.991,820 65.15,821 16.786,823 223.651,824 94.099,825 97.118,827 223.651,828 40.362,829 61.779,831 89.075,832 223.651,833 94.099,834 97.118,835 0.581,836 0.368,837 0.215,838 0.119,839 22,840 10,841 0.085,842 4,843 3,844 1.353,845 3.459,846 231.801,847 0.353,848 17,849 116.096,852 16.308,853 6.283,854 2.481,856 92.199,857 6.971,858 4.304,862 2.9,863 1.842,865 414.867,866 35.5,869 25.431,872 -0.498,873 44.683,874 49.654,876 0.298,877 0.678,878 0.891,879 0.927,880 0.927,881 0.927,882 4.873,883 1.228,884 5.849,885 4.016,886 4.419,887 4.871,888 2.443,889 6.765,890 4.328,891 6.083,892 1.121,893 7.471,894 3.002,895 4.111,896 4.771,897 0.325,898 7.867,899 3.996,900 7.414,901 0.801,902 9.197,903 2.69,904 6.103,905 7.061,906 3.084,907 11.054,908 5.932,909 8.785,910 0.618,911 10.984,912 1.738,913 6.661,914 7.825,915 0.74,916 12.987,917 6.461,918 10.193,919 0.534,920 12.81,921 1.368,922 8.112,923 9.589,924 3.937,925 15.702,926 7.869,927 11.625,928 0.464,929 14.661,930 1.267,931 9.034,932 10.723,933 1.168,934 17.965,935 8.756,936 13.076,937 -0.325,938 16.532,939 0.742,940 10.305,941 12.297,942 4.888,943 20.535,944 9.987,945 3.409,946 -0.584,947 18.416,948 -0.703,949 11.384,950 13.602,951 1.605,952 22.938,953 11.027,954 2.924,955 12.515,956 20.311,957 -0.931,958 12.598,959 15.103,960 5.882,961 25.463,962 12.202,963 2.744,964 10.194,965 22.215,966 4.374,967 13.747,968 16.488,969 2.049,970 27.929,971 13.31,972 2.38,973 9.411,974 24.127,975 3.881,976 14.948,977 17.963,978 6.896,979 30.443,980 14.47,981 2.231,982 7.576,983 26.044,984 3.143,985 16.129,986 19.386,987 2.494,988 32.938,989 15.609,990 1.621,991 6.598,992 27.967,993 3.013,994 17.332,995 20.852,996 7.918,997 35.452,998 16.77,999 1.341,1000 4.374,1001 29.894,1002 2.72,1003 18.53,1004 22.296,1005 2.938,1006 37.961,1007 17.925,1008 5727,1009 9762,1010 18.611,1011 28.926,1012 43.28,1013 45.018,1014 45.481,1015 42.808,1016 42.832,1017 53.372,1018 8.572,1019 130.978,1020 40.848,1021 5.649,1022 5.847,1023 6.921,1024 5.436,1025 5.409,1026 7.374,1027 3.349,1028 20.281,1029 5.268,1030 12.479,1031 1.546,1032 1.608,1033 1.624,1034 1.529,1035 1.53,1036 1.906,1037 0.306,1038 4.678,1039 1.459,1040 4.116,1041 4.154,1042 4.085,1043 3.98,1044 7.434,1045 4,1046 3.79,1047 3.818,1048 3.742,1049 3.687,1050 7.427,1051 3.693,1052 3.712,1053 3.763,1054 3.621,1055 3.514,1056 4.944,1057 3.535,1058 3.505,1059 3.567,1060 3.366,1061 3.275,1062 4.768,1063 3.276,1064 3.283,1065 3.327,1066 3.175,1067 3.037,1068 4.443,1069 3.065,1070 3.141,1071 3.178,1072 3.02,1073 2.917,1074 4.288,1075 2.931,1076 3.062,1077 3.088,1078 2.91,1079 2.781,1080 4.217,1081 2.812,1082 2.832,1083 2.929,1084 2.613,1085 2.655,1086 3.629,1087 2.633,1088 0.168,1089 0.137,1090 0.255,1091 0.156,1092 0.122,1093 4.698,1094 0.156,1095 3.847,1096 0.06,1097 7.152,1098 0.447,1099 4.368,1100 0.117,1101 3.409,1102 4.374,1103 1.674,1104 12.515,1105 3.268,1106 1.915,1107 1.897,1108 1.99,1109 2.024,1110 1.247,1111 2.013,1112 1.684,1113 1.651,1114 1.862,1115 1.86,1116 1.112,1117 1.844,1118 1.537,1119 1.473,1120 1.808,1121 1.752,1122 1.042,1123 1.771,1124 1.488,1125 1.427,1126 1.719,1127 1.74,1128 0.938,1129 1.745,1130 1.308,1131 1.247,1132 1.577,1133 1.588,1134 0.589,1135 1.574,1136 1.258,1137 1.218,1138 1.405,1139 1.516,1140 0.474,1141 1.497,1142 1.097,1143 1.014,1144 1.317,1145 1.357,1146 0.351,1147 1.36,1148 0.926,1149 0.88,1150 1.164,1151 1.144,1152 0.232,1153 1.142,1154 4.043,1156 5.398,1157 3.045,1158 6.954,1159 5.416,1160 8.605,1161 7.573,1162 10.314,1164 3.336,1169 2.637,1171 10.429,1173 -0.173,1174 1.821,1179 28.138,1180 71.691,1181 162.857,1182 213.95,1183 222.705,1184 222.705,1185 222.705,1186 45.718,1187 7.863,1188 73.66,1189 73.66,1190 23,1191 12.886,1192 3.807,1193 3.087,1194 35.509,1195 75,1196 88,1197 0.252,1198 169.735,1199 298.4,1200 405.914,1201 25751,1203 17.552,1204 0.702,1205 0.568,1206 17.552,1207 14.19,1208 12.151,1209 0.434,1210 0.3,1211 8.221,1212 11.473,1213 8.044,1214 6.618,1215 12.151,1216 8.391,1217 10.781,1218 0.263,1219 0.149,1220 10.781,1221 6.109,1222 9.958,1223 0.163,1224 0.079,1225 9.958,1226 4.796,1227 8.847,1228 0.101,1229 0.042,1230 8.847,1231 3.697,1232 7.064,1233 0.061,1234 0.021,1235 7.064,1236 2.456,1237 0.371,1238 77.616,1239 0.232,1240 23.199,1241 0.773,1242 138,1243 451.877,1244 156.232,1245 419.205,1246 574.29,1247 394,1248 171,1249 424.78,1250 190.292,1251 423.008,1252 633.85,1253 398,1254 9.347}
{0 CHEMBL522055,1 1.497,2 9.259,3 4.969,4 24.692,5 103.656,6 8.078,7 0.567,8 3.894,9 3.993,10 3.544,11 3.503,12 5.091,13 3.494,14 4.387,15 4.53,16 3.898,17 3.866,18 5.561,19 3.848,20 4.607,21 4.772,22 4.054,23 4.04,24 5.756,25 4.012,26 4.674,27 4.832,28 4.082,29 4.079,30 5.884,31 4.047,32 4.729,33 4.902,34 4.019,35 4.087,36 5.914,37 4.039,38 4.712,39 4.911,40 3.936,41 4.06,42 5.794,43 3.99,44 4.661,45 4.875,46 3.776,47 3.952,48 5.784,49 3.865,50 4.519,51 4.749,52 3.492,53 3.709,54 5.673,55 3.605,56 0.01,57 0.594,58 7.2,59 3.696,60 9.148,61 4.414,62 0.24,63 0.987,64 14.079,65 5.983,66 25.271,67 7.222,68 0.272,69 1.226,70 18.572,71 7.723,72 30.457,73 9.647,74 0.272,75 1.324,76 19.22,77 7.939,78 36.235,79 9.701,80 0.395,81 1.357,82 21.999,83 8.614,84 60.487,85 10.255,86 0.175,87 1.353,88 21.768,89 8.915,90 30.391,91 11.492,92 0.205,93 1.248,94 21.896,95 8.848,96 36.416,97 11.396,98 0.221,99 1.044,100 20.348,101 7.952,102 49.726,103 10.188,104 16,105 42,106 0.254,107 0.64,108 0.774,109 0.851,110 0.862,111 0.862,112 3.342,113 0.867,114 -5.12,115 -5.02,116 -4.7,118 50,119 1,124 2,132 1,133 1,135 8,136 3,137 1,139 1,144 1,148 1,149 1,151 1,159 12,161 2,162 5,166 14,168 3,169 5,173 12,175 3,176 9,180 8,183 2,184 9,187 9,191 11,195 10,198 11,202 8,204 9,208 6,211 7,215 4,216 957,217 18.792,218 18.792,219 18.792,220 18.792,221 18.792,222 16.416,223 20.125,224 11.152,225 19.189,226 14.717,227 14.717,228 14.717,229 14.717,230 14.717,231 10.962,232 22.057,233 5.106,234 15.256,235 3.962,236 1.686,237 0.898,238 0.443,239 0.381,240 0.381,241 4.041,245 1,246 1,247 539,248 3.162,251 46.675,252 118.444,253 57.838,255 88.321,256 94.503,258 1.399,259 23.621,262 1,263 1,264 1,265 0.6,266 0.5,267 1,268 1,269 0.87,270 57.5,271 250,272 4.656,273 3.71,274 6.951,275 4.263,276 3.302,277 4.371,278 1.674,279 11.769,280 3.18,281 4.344,282 3.391,283 6.571,284 3.955,285 2.978,286 3.954,287 0.795,288 10.387,289 2.9,290 4.037,291 2.959,292 6.036,293 3.596,294 2.613,295 3.581,297 8.526,298 2.572,299 3.819,300 2.858,301 5.5,302 3.347,303 2.372,304 3.124,306 7.081,307 2.303,308 3.502,309 2.446,310 5.175,311 3.019,312 2.039,313 2.8,315 6.074,316 1.988,317 3.317,318 2.094,319 4.824,320 2.843,321 1.878,322 2.501,324 5.066,325 1.806,326 2.961,327 1.818,328 4.166,329 2.343,330 1.363,331 1.902,333 3.375,334 1.338,335 2.78,336 1.568,337 3.941,338 2.278,339 1.355,340 1.771,342 3.192,343 1.243,344 2.711,345 1.407,346 3.856,347 2.111,348 1.162,349 1.551,350 2.886,351 1.093,352 2.5,353 1.194,354 3.479,355 2,356 1,357 1.5,358 2.333,359 1,360 2.481,361 1.118,362 3.247,363 1.863,364 0.917,365 1.369,366 2.136,367 0.864,368 2.462,369 1,370 3.05,371 1.748,372 0.766,373 1.023,374 1.347,375 0.74,376 2.056,377 0.67,378 3,379 1.465,380 0.471,381 0.844,382 0.753,383 0.467,384 1.406,385 0.35,386 2.826,387 1.119,388 0.164,389 0.199,390 0.423,391 0.156,392 1.179,393 0.263,394 2.579,395 0.687,396 -0.278,397 -0.37,398 -0.61,399 -0.267,400 12.867,401 0.477,402 0.534,403 0.02,404 38.5,405 1.426,406 21,407 0.778,408 17.5,409 0.648,410 19.322,411 0.716,412 26.733,413 0.608,414 30.059,415 1.113,416 7.849,417 0.291,418 5.375,419 0.199,420 0.104,422 0.342,424 0.733,425 1.22,426 0.687,427 0.999,428 0.632,429 0.865,430 0.899,431 1,432 0.809,433 0.843,434 0.606,435 0.812,436 0.861,437 0.987,438 0.785,439 0.84,440 0.648,441 0.809,442 0.983,443 1.122,444 0.97,445 1.024,446 1.162,447 0.994,448 1.334,449 0.997,450 1.112,451 0.904,452 1.455,453 0.964,454 0.854,455 1.043,456 1.006,457 1.039,458 0.668,459 1.03,460 0.966,461 0.976,462 1.051,463 1.04,464 0.886,465 1.048,466 1.173,467 0.95,468 1.101,469 1.054,470 1.336,471 1.066,472 4,473 0.062,474 3.333,475 2.097,476 1.519,477 1.115,478 0.785,479 0.45,480 0.3,481 0.126,482 7642,483 21304,484 2.12,485 38.6,487 12,488 1,489 1,492 3,494 1.71,495 2,496 3.168,497 -0.806,502 65.866,503 1.497,504 3.774,505 4.561,506 5.016,507 5.079,508 5.079,509 2.563,510 3.958,511 4.72,512 3.296,513 1156.88,514 8.249,515 14081.3,517 1,520 240.215,521 1.352,522 4.694,523 0.133,524 0.006,525 0.079,526 0.043,527 0.031,528 0.024,529 0.019,530 0.013,531 0.012,532 0.008,533 0.368,534 0.33,535 1,536 1.159,537 130.024,538 -0.008,539 -0.196,540 0.062,541 -0.083,542 -0.054,543 -0.018,544 0.111,545 0.051,546 0.055,547 0.076,548 0.05,549 0.061,550 0.1,551 0.048,552 0.118,553 0.096,554 0.079,555 0.101,556 0.043,557 -0.064,558 -0.079,559 -0.109,560 -0.085,561 -0.114,562 -0.133,563 0.028,564 -0.168,565 0.034,566 -0.19,567 -0.057,568 -0.067,569 -0.03,570 -0.064,571 -0.08,572 0.033,573 -0.066,574 -0.08,575 -0.004,576 -0.062,577 -0.054,578 0.006,579 -0.049,580 -0.097,581 -0.02,582 -0.044,583 -0.043,584 -0.09,585 -0.033,586 2.105,587 5.281,588 0.741,589 23.564,590 1.003,591 1.11,592 3.895,593 15.17,594 0.71,595 3.434,596 3.761,597 4.111,598 4.431,599 4.7,600 4.92,601 5.13,602 5.308,603 5.447,604 5.497,605 5.493,606 0.686,607 355.42,608 3.434,609 4.977,610 5.855,611 6.753,612 7.656,613 8.568,614 9.481,615 10.399,616 11.317,617 12.239,618 6.8,624 1,625 1,626 1,632 9,633 1,637 6,638 1,639 17,640 1,643 1,650 44,652 20,653 2,654 30,656 47,657 22,658 15,659 4,660 8,661 2,663 4,664 7,667 1,673 2,674 17,675 3,677 2,680 1,682 1,683 2,687 17,688 4,690 5,692 1,694 3,696 0.5,697 2,708 1,709 2,710 1,712 1,713 1,715 1,716 1,728 2,732 1,735 27,739 2,741 1,747 1,748 1,753 1,755 4.5,758 1,760 1,762 13.5,763 8.517,764 6.111,765 2.739,766 3.646,767 1.468,768 1.01,769 4.521,770 11.442,771 3.773,772 4.36,773 5.026,774 5.643,775 6.189,776 6.639,777 7.148,778 7.591,779 8.036,780 8.412,781 0.714,782 49,783 9.938,784 4.231,785 7.772,786 18.808,787 15.315,788 2.272,789 61.333,792 1,793 200.109,794 168.079,795 35.47,797 36.145,800 168.079,801 236.254,802 35.47,803 8.825,804 6.698,805 75.81,806 72.268,807 44.755,808 54.88,809 176.567,811 200.109,812 203.549,813 36.145,816 164.795,817 71.458,819 45.583,820 124.15,821 33.816,823 200.109,824 71.615,825 168.079,827 200.109,828 34.473,829 95.153,830 17.031,831 93.037,832 200.109,833 71.615,834 168.079,835 0.57,836 0.351,837 0.202,838 0.113,839 21,840 9,841 0.085,842 4,843 2,844 1.2,845 3.715,846 248.15,847 0.2,848 20,849 124.382,852 17.12,853 7.13,854 3.022,856 69.716,857 17.325,858 4.276,862 4.544,863 1.89,865 439.802,866 42.5,869 12.281,871 4.806,872 0.396,873 44.145,874 48.82,876 0.274,877 0.691,878 0.836,879 0.919,880 0.93,881 0.93,882 5.012,883 1.355,884 5.838,885 3.375,886 4.443,887 5.047,888 2.063,889 6.701,890 4.379,891 6.235,892 1.162,893 7.424,894 3.192,895 4.007,896 4.783,898 7.719,899 3.927,900 7.553,901 1,902 9.116,903 2.886,904 6.071,905 7.264,906 2.863,907 10.878,908 5.947,909 8.911,910 0.917,911 10.874,912 2.333,913 6.524,914 7.895,916 12.752,917 6.372,918 10.304,919 0.766,920 12.673,921 2.136,922 8.017,923 9.778,924 3.819,925 15.426,926 7.831,927 11.721,928 0.471,929 14.501,930 1.347,931 8.866,932 10.821,934 17.631,935 8.643,936 13.158,937 0.164,938 16.348,939 0.753,940 10.145,941 12.458,942 4.827,943 20.151,944 9.89,945 3.302,946 -0.278,947 18.21,948 0.423,949 11.173,950 13.704,952 22.492,953 10.877,954 2.978,955 11.769,956 20.083,957 -0.61,958 12.375,959 15.235,960 5.851,961 24.961,962 12.046,963 2.613,964 10.387,965 21.965,966 4.371,967 13.483,968 16.583,970 27.361,971 13.112,972 2.372,973 8.526,974 23.854,975 3.954,976 14.661,977 18.068,978 6.88,979 29.814,980 14.254,981 2.039,982 7.081,983 25.748,984 3.581,985 15.805,986 19.469,988 32.24,989 15.357,990 1.878,991 6.074,992 27.648,993 3.124,994 16.978,995 20.936,996 7.91,997 34.69,998 16.493,999 1.363,1000 5.066,1001 29.551,1002 2.8,1003 18.139,1004 22.364,1006 37.131,1007 17.614,1008 7417,1009 12503,1010 20.285,1011 31.256,1012 46.419,1013 46.043,1014 46.846,1015 44.738,1016 44.762,1017 60.979,1018 4.939,1019 130.695,1020 43.301,1021 5.464,1022 5.71,1023 6.753,1024 5.332,1025 5.302,1026 7.371,1027 3.349,1028 19.471,1029 5.18,1030 11.715,1031 1.547,1032 1.535,1033 1.562,1034 1.491,1035 1.492,1036 2.033,1037 0.165,1038 4.356,1039 1.443,1040 4.107,1041 4.143,1042 4.079,1043 4.007,1044 7.433,1045 4.018,1046 3.873,1047 3.905,1048 3.818,1049 3.797,1050 5.447,1051 3.795,1052 3.77,1053 3.794,1054 3.724,1055 3.665,1056 4.967,1057 3.682,1058 3.52,1059 3.575,1060 3.396,1061 3.297,1062 4.77,1063 3.305,1064 3.325,1065 3.385,1066 3.246,1067 3.19,1068 4.553,1069 3.192,1070 3.193,1071 3.232,1072 3.105,1073 3.08,1074 4.428,1075 3.082,1076 3.045,1077 3.061,1078 2.941,1079 2.78,1080 4.338,1081 2.822,1082 2.88,1083 2.951,1084 2.725,1085 2.735,1086 3.674,1087 2.717,1088 0.155,1089 0.124,1090 0.232,1091 0.142,1092 0.11,1093 4.656,1094 0.146,1095 3.71,1096 0.056,1097 6.951,1098 0.392,1099 4.263,1100 0.106,1101 3.302,1102 4.371,1103 1.674,1104 11.769,1105 3.18,1106 1.976,1107 1.955,1108 2.057,1109 2.046,1110 1.18,1111 2.05,1112 1.856,1113 1.829,1114 1.963,1115 1.948,1116 1.062,1117 1.954,1118 1.623,1119 1.594,1120 1.812,1121 1.82,1122 0.947,1123 1.805,1124 1.476,1125 1.41,1126 1.709,1127 1.711,1128 0.912,1129 1.719,1130 1.354,1131 1.311,1132 1.461,1133 1.559,1134 0.428,1135 1.535,1136 1.258,1137 1.211,1138 1.361,1139 1.425,1140 0.353,1141 1.412,1142 1.035,1143 0.985,1144 1.237,1145 1.194,1146 0.218,1147 1.209,1148 0.886,1149 0.821,1150 1.181,1151 1.097,1152 0.214,1153 1.107,1154 4.111,1156 5.434,1157 2.398,1158 6.963,1159 4.844,1160 8.588,1161 7.05,1162 10.265,1164 1.773,1169 0.615,1171 5.139,1177 5.608,1178 2.68,1179 30.181,1180 65.866,1181 166.034,1182 200.705,1183 220.705,1184 223.46,1185 223.46,1186 39.994,1187 7.796,1188 56.48,1189 56.48,1190 24,1191 12.747,1192 4.392,1193 3.755,1194 39.784,1195 91,1196 103,1197 0.229,1198 185.475,1199 325.92,1200 444.319,1201 24022,1203 18.803,1204 0.696,1205 0.55,1206 18.803,1207 14.846,1208 13.224,1209 0.441,1210 0.289,1211 8.567,1212 12.793,1213 8.358,1214 6.935,1215 13.224,1216 8.672,1217 11.389,1218 0.271,1219 0.144,1220 11.389,1221 6.037,1222 10.238,1223 0.171,1224 0.074,1225 10.238,1226 4.447,1227 8.927,1228 0.108,1229 0.039,1230 8.927,1231 3.21,1232 7.251,1233 0.067,1234 0.02,1235 7.251,1236 2.195,1237 0.343,1238 82.275,1239 0.222,1240 25.142,1241 0.682,1242 144,1243 424.406,1244 156.112,1245 414.853,1246 577.05,1247 390,1248 174,1249 432.542,1250 186.976,1251 439.875,1252 650.42,1253 415,1254 7.86}
{0 CHEMBL58757,1 1.575,2 9,3 3.301,4 10.896,5 93.556,6 7.668,7 0.407,8 3.881,9 3.991,10 3.474,11 3.403,12 5.064,13 3.399,14 4.419,15 4.594,16 3.898,17 3.784,18 5.582,19 3.785,20 4.673,21 4.813,22 4.029,23 4.017,24 5.884,25 3.992,26 4.887,27 5.113,28 4.068,29 4.044,30 6.084,31 4.001,32 4.714,33 4.881,34 3.921,35 3.918,36 6.022,37 3.894,38 4.62,39 4.822,40 3.782,41 3.799,42 5.887,43 3.757,44 4.549,45 4.753,46 3.496,47 3.661,48 5.845,49 3.573,50 4.446,51 4.73,52 3.244,53 3.553,54 5.39,55 3.421,56 0.031,57 0.635,58 8.298,59 3.852,60 10.277,61 4.868,62 0.338,63 1.022,64 16.946,65 6.115,66 31.101,67 8.137,68 0.399,69 1.275,70 21.147,71 8.274,72 39.74,73 10.15,74 0.554,75 1.461,76 30.446,77 10.29,78 74.13,79 14.014,80 0.573,81 1.251,82 24.12,83 7.896,84 84.211,85 9.672,86 0.341,87 1.173,88 21.819,89 7.146,90 60.179,91 9.579,92 0.577,93 1.018,94 21.384,95 6.948,96 84.227,97 9.056,98 0.329,99 0.902,100 21.037,101 7.041,102 55.391,103 10.115,104 56,105 41,106 0.272,107 0.657,108 0.766,109 0.785,110 0.785,111 0.785,112 3.268,113 0.875,114 -4.04,115 -3.99,116 -3.78,118 43.2,119 3,123 1,124 1,128 1,132 1,133 1,135 3,136 2,137 1,139 1,144 1,149 2,151 1,159 6,161 3,162 7,166 10,168 3,169 4,173 6,175 4,176 10,180 2,183 2,184 10,190 1,191 11,197 2,198 8,204 3,208 6,211 5,215 6,216 798,217 16.041,218 16.041,219 16.041,220 16.041,221 16.041,222 14.507,223 22.474,224 8.943,225 16.385,226 13.227,227 13.227,228 13.227,229 13.227,230 13.227,231 10.581,232 25.655,233 4.147,234 13.763,235 3.885,236 1.655,237 1.018,238 0.91,239 0.91,240 0.91,241 3.938,244 1,245 1,246 1,247 467,248 3.873,251 42.047,252 50.973,253 54.365,255 82.366,256 90.403,258 1.52,259 31.625,261 1,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 54.5,271 225,272 4.646,273 3.811,274 6.949,275 4.277,276 3.318,277 4.349,278 1.674,279 11.741,280 3.186,281 4.313,282 3.719,283 6.548,284 4.083,285 3.136,286 3.892,287 1.23,288 10.355,289 2.962,290 4.098,291 3.261,292 6.374,293 3.848,294 2.867,295 3.226,296 0.521,297 9.762,298 2.797,299 3.879,300 3.065,301 5.913,302 3.473,303 2.51,304 3.13,306 7.985,307 2.424,308 3.698,309 2.891,310 5.477,311 3.304,312 2.327,313 2.91,315 7.006,316 2.257,317 3.377,318 2.527,319 5.186,320 2.981,321 2,322 2.487,324 6.131,325 1.947,326 2.958,327 1.979,328 4.47,329 2.348,330 1.375,331 1.857,333 3.808,334 1.329,335 2.772,336 1.501,337 4.081,338 2.103,339 1.159,340 1.589,342 3.12,343 1.09,344 2.573,345 1.287,346 3.892,347 1.948,348 0.988,349 1.436,350 2.688,351 0.939,352 2.418,353 1.168,354 3.435,355 1.643,356 0.618,357 0.944,358 1.542,359 0.625,360 2.132,361 0.759,362 3.045,363 1.471,364 0.481,365 0.844,366 0.789,367 0.475,368 1.208,369 0.636,370 2.845,371 0.833,372 -0.114,373 -0.136,374 -0.276,375 -0.107,376 0.884,377 0.145,378 2.678,379 0.512,380 -0.462,381 -0.574,382 -1.211,383 -0.439,384 0.836,385 -0.186,386 2.226,387 0.436,388 -0.555,389 -0.76,390 -1.308,391 -0.542,392 0.668,393 -0.539,394 2.193,395 0.184,396 -0.831,397 -1,398 -2.404,399 -0.841,400 11.7,401 0.468,402 0.963,403 0.039,404 31.5,405 1.26,406 15,407 0.6,408 16.5,409 0.66,410 21.811,411 0.872,412 26.7,413 0.607,414 25.811,415 1.032,416 6.215,417 0.249,418 5.493,419 0.22,420 0.271,421 0.043,422 0.368,424 0.709,425 1.472,426 0.732,427 1.18,428 0.604,429 0.995,430 0.752,431 0.909,432 0.621,433 0.734,434 0.476,435 0.649,436 1.233,437 1.186,438 1.098,439 1.126,440 0.827,441 1.102,442 0.959,443 0.909,444 0.763,445 0.843,446 1.21,447 0.78,448 1.695,449 1.108,450 1.248,451 0.979,452 1.903,453 1.028,454 1.165,455 1.143,456 1.109,457 1.112,458 0.967,459 1.079,460 1.312,461 1.023,462 1.356,463 1.094,464 1.07,465 1.202,466 0.787,467 0.599,468 0.859,469 0.684,470 0.743,471 0.757,472 7,473 0.087,474 3.556,475 2.41,476 2.128,477 1.427,478 0.866,479 0.444,480 0.4,481 0.094,482 5777,483 16618,484 1.96,485 43.2,487 8,488 1,489 1,492 9,494 1.686,495 1.754,496 3.095,497 -0.751,498 1,499 1,501 1,502 69.284,503 1.575,504 3.805,505 4.441,506 4.549,507 4.549,508 4.549,509 2.649,510 4.294,511 4.611,512 3.266,513 979.94,514 8.011,515 11207.8,517 1,519 1,520 240.215,521 1.757,522 4.518,523 0.259,524 0.014,525 0.087,526 0.054,527 0.046,528 0.037,529 0.026,530 0.019,531 0.02,532 0.007,533 0.57,534 0.5,535 1,536 1.363,537 117.386,538 -0.019,539 -0.316,540 0.062,541 -0.146,542 -0.067,543 -0.051,544 0.177,545 0.2,546 0.296,547 0.233,548 0.141,549 0.284,550 -0.095,551 -0.113,552 -0.196,553 -0.137,554 -0.057,555 -0.186,556 0.093,557 0.057,558 0.247,559 0.121,560 -0.019,561 0.195,562 -0.261,563 -0.079,564 -0.261,565 -0.039,566 -0.291,567 -0.139,568 -0.113,569 -0.082,570 -0.143,571 -0.184,572 0.029,573 -0.16,574 -0.059,575 -0.038,576 -0.351,577 -0.152,578 0.072,579 -0.274,580 -0.043,581 0.308,582 0.168,583 0.295,584 -0.012,585 0.285,586 2.175,587 5.689,588 0.56,589 20.317,590 1.008,591 1.124,592 2.814,593 7.917,594 0.67,595 3.332,596 3.738,597 3.989,598 4.304,599 4.554,600 4.787,601 4.92,602 5.037,603 5.142,604 5.147,605 5.314,606 0.646,607 337.41,608 3.332,609 4.92,610 5.784,611 6.708,612 7.597,613 8.525,614 9.426,615 10.356,616 11.264,617 12.193,618 6.8,623 1,624 1,626 1,632 4,633 1,637 5,638 1,639 11,642 1,643 1,650 44,652 14,653 1,654 27,656 46,657 19,658 9,659 3,660 3,661 2,663 3,664 6,667 3,673 2,674 11,675 6,676 1,677 2,680 2,683 2,684 1,685 1,687 19,688 5,690 6,692 1,694 3,696 0.333,697 3,708 1,709 1,710 1,712 1,713 1,715 1,716 1,728 1,732 4,735 25,739 1,741 1,744 1,745 1,747 1,748 1,753 1,755 6.8,758 2,760 1,762 14.25,763 9.517,764 5.319,765 2.515,766 2.551,767 1.345,768 0.946,769 4.18,770 9.936,771 3.624,772 4.216,773 4.809,774 5.401,775 5.9,776 6.363,777 6.778,778 7.105,779 7.446,780 7.748,781 1,782 45,783 9.263,784 3.996,785 7.957,786 17.204,787 13.98,788 2.457,789 61.417,792 1,793 223.651,794 140.914,795 21.809,797 61.29,800 140.914,801 284.941,802 21.809,803 34.872,804 5.23,805 28.429,806 99.361,807 24.784,808 54.88,809 200.109,811 223.651,812 162.723,813 61.29,816 117.711,817 167.23,819 44.98,820 83.927,821 33.816,823 223.651,824 83.099,825 140.914,827 223.651,828 28.643,829 76.943,830 17.031,831 101.397,832 223.651,833 83.099,834 140.914,835 0.604,836 0.338,837 0.183,838 0.103,839 21,840 11,841 0.065,842 3,843 2,844 1.286,845 3.39,846 218.588,847 0.286,848 14,849 109.342,852 17.258,853 6.056,854 3.181,856 81.2,857 6.742,858 4.235,862 2.563,863 1.746,865 447.664,866 36.5,869 25.167,872 -0.67,873 44.356,874 49.445,876 0.288,877 0.697,878 0.814,879 0.833,880 0.833,881 0.833,882 4.925,883 1.159,884 5.855,885 3.808,886 4.419,887 4.902,888 2.306,889 6.76,890 4.343,891 6.189,892 0.988,893 7.485,894 3.12,895 4.369,896 4.913,897 0.325,898 7.97,899 4.257,900 7.538,901 0.618,902 9.215,903 2.688,904 6.163,905 7.115,906 3.033,907 11.003,908 6.003,909 8.917,910 0.481,911 10.999,912 1.542,913 6.836,914 7.892,915 0.74,916 12.925,917 6.634,918 10.322,919 -0.114,920 12.815,921 0.789,922 8.203,923 9.63,924 3.921,925 15.553,926 7.957,927 11.746,928 -0.462,929 14.652,930 -0.276,931 9.161,932 10.751,933 1.168,934 17.758,935 8.869,936 13.185,937 -0.555,938 16.503,939 -1.211,940 10.389,941 12.314,942 4.883,943 20.254,944 10.053,945 3.318,946 -0.831,947 18.365,948 -1.308,949 11.466,950 13.602,951 1.605,952 22.582,953 11.083,954 3.136,955 11.741,956 20.236,957 -2.404,958 12.648,959 15.094,960 5.881,961 25.034,962 12.221,963 2.867,964 10.355,965 22.114,966 4.349,967 13.777,968 16.465,969 2.049,970 27.419,971 13.304,972 2.51,973 9.762,974 23.998,975 3.892,976 14.947,977 17.931,978 6.895,979 29.859,980 14.43,981 2.327,982 7.985,983 25.886,984 3.226,985 16.1,986 19.344,987 2.494,988 32.273,989 15.537,990 2,991 7.006,992 27.779,993 3.13,994 17.27,995 20.801,996 7.918,997 34.711,998 16.664,999 1.375,1000 6.131,1001 29.676,1002 2.91,1003 18.435,1004 22.235,1005 2.938,1006 37.141,1007 17.784,1008 5871,1009 10080,1010 16.819,1011 29.472,1012 43.989,1013 44.361,1014 43.922,1015 41.612,1016 41.555,1017 53.331,1018 6.852,1019 129.85,1020 40.058,1021 5.541,1022 5.811,1023 6.496,1024 5.351,1025 5.318,1026 7.349,1027 3.349,1028 19.428,1029 5.186,1030 16.478,1031 1.629,1032 1.643,1033 1.627,1034 1.541,1035 1.539,1036 1.975,1037 0.254,1038 4.809,1039 1.484,1040 4.094,1041 4.131,1042 4.066,1043 3.972,1044 7.434,1045 3.988,1046 3.799,1047 3.822,1048 3.758,1049 3.679,1050 7.427,1051 3.697,1052 3.689,1053 3.742,1054 3.568,1055 3.538,1056 5.446,1057 3.534,1058 3.513,1059 3.58,1060 3.434,1061 3.275,1062 4.912,1063 3.307,1064 3.233,1065 3.26,1066 3.166,1067 3.139,1068 4.556,1069 3.137,1070 3.079,1071 3.077,1072 3.017,1073 2.818,1074 4.498,1075 2.855,1076 2.966,1077 3.019,1078 2.826,1079 2.77,1080 4.103,1081 2.788,1082 2.874,1083 3.009,1084 2.55,1085 2.618,1086 3.735,1087 2.576,1088 0.172,1089 0.141,1090 0.257,1091 0.158,1092 0.123,1093 4.646,1094 0.161,1095 3.811,1096 0.062,1097 6.949,1098 0.435,1099 4.277,1100 0.118,1101 3.318,1102 4.349,1103 1.674,1104 11.741,1105 3.186,1106 1.938,1107 1.919,1108 2.008,1109 2.022,1110 1.139,1111 2.017,1112 1.715,1113 1.676,1114 1.948,1115 1.918,1116 1.118,1117 1.92,1118 1.633,1119 1.577,1120 1.805,1121 1.847,1122 1.026,1123 1.841,1124 1.382,1125 1.346,1126 1.536,1127 1.582,1128 0.62,1129 1.55,1130 1.333,1131 1.289,1132 1.446,1133 1.557,1134 0.469,1135 1.54,1136 1.084,1137 1.019,1138 1.417,1139 1.261,1140 0.469,1141 1.308,1142 0.953,1143 0.9,1144 1.417,1145 1.239,1146 0.392,1147 1.308,1148 0.934,1149 0.804,1150 1.31,1151 1.239,1152 0.255,1153 1.286,1154 4.007,1156 5.389,1157 2.398,1158 6.94,1159 4.844,1160 8.569,1161 7.066,1162 10.245,1164 7.069,1169 0.244,1171 5.431,1174 1.535,1175 -0.625,1177 5.444,1178 2.536,1179 28.423,1180 69.284,1181 167.402,1182 195.421,1183 200.176,1184 200.176,1185 200.176,1186 55.318,1187 7.385,1188 64.43,1189 64.43,1190 18,1191 12.7,1192 3.907,1193 3.392,1194 41.493,1195 80,1196 85,1197 0.27,1198 176.87,1199 313.99,1200 423.322,1201 14154,1203 18.353,1204 0.734,1205 0.586,1206 18.353,1207 14.66,1208 11.709,1209 0.434,1210 0.292,1211 7.743,1212 11.192,1213 7.367,1214 6.196,1215 11.709,1216 7.871,1217 11.798,1218 0.288,1219 0.169,1220 11.798,1221 6.949,1222 9.006,1223 0.17,1224 0.073,1225 9.006,1226 3.845,1227 7.728,1228 0.106,1229 0.038,1230 7.728,1231 2.739,1232 6.022,1233 0.064,1234 0.019,1235 6.022,1236 1.829,1237 0.406,1238 73.819,1239 0.244,1240 23.505,1241 0.8,1242 136,1243 426.142,1244 152.016,1245 410.443,1246 556.13,1247 380,1248 162,1249 413.348,1250 178.466,1251 420.417,1252 615.05,1253 390,1254 5.009}
{0 CHEMBL646,1 1.629,2 7.13,3 4.391,4 19.28,5 93.515,6 9.807,7 0.654,8 3.696,9 3.795,10 3.51,11 3.361,12 4.861,13 3.34,14 4.192,15 4.331,16 3.935,17 3.759,18 5.328,19 3.726,20 4.429,21 4.587,22 4.089,23 3.938,24 5.564,25 3.892,26 4.48,27 4.641,28 4.071,29 3.956,30 5.616,31 3.894,32 4.455,33 4.609,34 4.066,35 3.952,36 5.583,37 3.877,38 4.578,39 4.797,40 4.025,41 3.922,42 5.612,43 3.785,44 4.278,45 4.49,46 3.971,47 3.613,48 5.463,49 3.467,50 3.814,51 4.035,52 3.054,53 3.056,54 4.916,55 2.874,56 0.057,57 0.514,58 3.507,59 2.504,60 5.427,61 2.999,62 0.142,63 0.842,64 8.437,65 4.485,66 10.952,67 5.387,68 0.294,69 1.049,70 15.827,71 5.741,72 21.927,73 6.308,74 0.291,75 1.079,76 16.352,77 6.255,78 25.338,79 7.102,80 0.229,81 1.024,82 13.264,83 6.234,84 20.857,85 7.432,86 0.356,87 1.07,88 25.377,89 8.618,90 33.697,91 10.526,92 0.407,93 0.715,94 27.68,95 6.896,96 38.315,97 8.363,98 0.248,99 0.451,100 17.77,101 4.323,102 24.725,103 5.054,104 10,105 38,106 0.292,107 0.608,108 0.744,109 0.866,110 0.886,111 0.886,112 3.191,113 0.913,114 -6.2,115 -6.04,116 -5.62,118 48.6,119 1,124 1,135 7,136 2,137 3,148 1,152 2,157 1,159 6,161 2,162 6,166 11,168 2,169 5,173 10,175 1,176 9,180 8,184 11,187 9,191 5,195 7,198 7,202 9,204 4,208 5,211 1,215 1,216 621,217 15.637,218 15.637,219 15.637,220 15.637,221 15.637,222 13.287,223 16.781,224 9.032,225 16.122,226 12.82,227 12.82,228 12.82,229 12.82,230 12.82,231 9.37,232 19.951,233 4.261,234 13.715,235 3.5,236 1.74,237 0.983,238 0.307,239 0.193,240 0.193,241 3.888,243 2,245 1,246 1,247 361,248 2.121,251 37.314,252 93.549,253 45.469,255 69.273,256 73.13,258 1.017,259 17.083,261 1,262 0.75,263 0.83,264 1,265 0.4,267 1,268 1,269 0.71,270 48.667,271 164,272 4.659,273 3.491,274 6.992,275 4.261,276 3.307,277 4.371,278 0.795,279 11.91,280 3.161,281 4.338,282 3.206,283 6.576,284 3.911,285 2.968,286 3.971,288 10.355,289 2.784,290 4.007,291 2.942,292 5.926,293 3.533,294 2.593,295 3.624,297 8.159,298 2.42,299 3.557,300 2.671,301 5.167,302 3.049,303 2.148,304 2.907,306 5.978,307 1.922,308 3.338,309 2.395,310 4.976,311 2.911,312 1.994,313 2.597,315 5.785,316 1.756,317 3.107,318 2.079,319 4.868,320 2.717,321 1.773,322 2.287,324 5.08,325 1.653,326 2.864,327 1.65,328 4.259,329 2.36,330 1.414,331 2.023,333 3.577,334 1.324,335 2.748,336 1.334,337 3.785,338 2.287,339 1.307,340 1.855,342 3.002,343 1.222,344 2.541,345 1.252,346 3.728,347 1.977,348 1.023,349 1.481,350 2.56,351 0.974,352 2.386,353 0.998,354 3.577,355 1.871,356 0.918,357 1.333,358 2.341,359 0.862,360 1.493,361 0.631,362 3.083,363 1.225,364 0.289,365 0.34,366 0.732,367 0.26,368 1.289,369 0.414,370 2.789,371 0.898,372 -0.014,373 -0.017,374 -0.034,375 -0.011,376 1.025,377 0.214,378 2.404,379 0.543,380 -0.302,381 -0.378,382 -0.703,383 -0.208,384 0.709,385 -0.063,386 2.321,387 0.287,388 -0.576,389 -0.679,390 -1.414,391 -0.425,392 0.628,393 -0.62,394 2,395 0.162,396 -0.809,397 -1.095,398 -2.069,399 -0.767,400 11.529,401 0.501,402 0.61,403 0.027,404 32.75,405 1.424,406 17.5,407 0.761,408 15.25,409 0.663,410 17.76,411 0.772,412 22.671,413 0.648,414 22.246,415 0.967,416 6.517,417 0.283,418 4.631,419 0.201,420 0.167,422 0.382,424 0.581,425 1.138,426 0.481,427 0.788,428 0.6,429 0.754,430 0.703,431 1.103,432 0.549,433 0.765,434 0.648,435 0.753,436 1.188,437 0.904,438 0.932,439 0.771,440 0.987,441 0.795,442 1.048,443 1.072,444 0.943,445 0.986,446 0.991,447 0.998,448 0.775,449 1.196,450 0.816,451 1.099,452 0.824,453 1.112,454 1.072,455 0.939,456 1.073,457 0.998,458 1.166,459 1.047,460 1.027,461 0.903,462 1.264,463 1.1,464 0.992,465 1.028,466 1.574,467 0.957,468 1.884,469 1.476,470 1.657,471 1.404,472 4,474 3.111,475 2.16,476 1.581,477 0.889,478 0.756,479 0.297,480 0.094,481 0.016,482 4872,483 15889,484 2.141,485 34.3,487 9,491 3,494 1.668,495 2,496 2.831,497 -0.729,499 1,502 57.018,503 1.629,504 3.389,505 4.146,506 4.822,507 4.936,508 4.936,509 2.234,510 4.437,511 4.498,512 2.949,513 746.104,514 7.802,515 8074.87,517 1,519 1,520 179.525,521 1.422,522 4.454,523 0.154,525 0.082,526 0.05,527 0.039,528 0.023,529 0.024,530 0.013,531 0.009,532 0.008,533 0.402,534 0.5,535 0.88,536 0.58,537 103.089,538 0.051,539 -0.084,540 0.016,541 -0.039,542 -0.04,543 -0.011,544 0.059,545 -0.05,546 0.077,547 0.053,548 0.029,549 0.068,550 -0.196,551 0.175,552 -0.108,553 0.09,554 -0.113,555 0.042,556 -0.122,557 -0.033,558 -0.13,559 -0.109,560 -0.087,561 -0.131,562 0.026,563 -0.207,564 -0.053,565 -0.217,566 -0.014,567 -0.225,568 -0.059,569 -0.024,570 0.032,571 0.064,572 -0.11,573 0.029,574 0.266,575 -0.048,576 0.219,577 0.056,578 0.365,579 0.102,580 -0.229,581 -0.09,582 -0.373,583 -0.321,584 -0.23,585 -0.279,586 1.062,587 2.274,588 0.87,589 14.348,590 1.014,591 1.113,592 4.972,593 24.718,594 0.758,595 3.296,596 3.664,597 4.007,598 4.344,599 4.605,600 4.762,601 4.949,602 5.081,603 5.159,604 5.153,605 4.551,606 0.725,607 343.23,608 3.296,609 4.86,610 5.746,611 6.658,612 7.565,613 8.483,614 9.398,615 10.318,616 11.237,617 12.158,618 11.4,624 1,625 1,626 2,632 7,633 2,637 7,638 1,639 17,640 1,649 2,650 35,652 18,653 2,654 26,656 38,657 17,658 14,659 5,660 7,661 1,663 4,664 7,665 2,667 1,674 15,675 2,677 1,682 1,683 1,685 1,687 12,688 3,690 6,691 2,694 4,696 0.5,708 1,709 2,710 1,712 1,713 1,728 2,732 1,733 2,735 23,739 1,752 1,754 2,762 11.5,763 6.919,764 4.944,765 2.081,766 3.612,767 1.482,768 1.038,769 3.532,770 11.107,771 3.597,772 4.266,773 4.915,774 5.557,775 6.084,776 6.445,777 6.922,778 7.348,779 7.742,780 8.063,781 0.8,782 43,783 8.433,784 3.637,785 7.676,786 16.096,787 13.42,788 2.176,789 50.056,793 141.253,794 100.806,795 52.011,796 78.297,800 100.806,801 219.551,802 52.011,803 8.825,804 2.106,805 66.334,806 40.739,807 34.814,809 141.253,810 78.297,811 141.253,812 152.817,814 78.297,816 141.253,819 34.271,820 85.22,821 111.623,823 141.253,824 52.011,825 179.104,827 141.253,828 25.647,829 77.058,831 128.409,832 141.253,833 52.011,834 179.104,835 0.592,836 0.36,837 0.208,838 0.117,839 21,840 9,841 0.026,842 1,843 2,844 1.2,845 3.354,846 204.647,847 0.2,848 20,849 104.042,852 14.583,853 5.571,854 2.396,856 50.112,857 13.415,858 8.389,862 5.695,863 2.013,865 372.367,866 35.5,871 4.742,872 0.818,873 35.473,874 38.957,876 0.318,877 0.661,878 0.808,879 0.94,880 0.962,881 0.962,882 4.846,883 1.307,884 5.753,885 3.577,886 4.344,887 4.952,888 0.817,889 6.632,890 4.215,891 6.088,892 1.023,893 7.352,894 3.002,895 4.007,896 4.796,898 7.673,899 3.754,900 7.421,901 0.918,902 9.055,903 2.56,904 5.994,905 7.207,906 0.587,907 10.837,908 5.763,909 8.792,910 0.289,911 10.82,912 2.341,913 6.494,914 7.884,916 12.734,917 6.162,918 10.196,919 -0.014,920 12.625,921 0.732,922 7.959,923 9.746,924 0.409,925 15.421,926 7.633,927 11.623,928 -0.302,929 14.459,930 -0.034,931 8.836,932 10.816,934 17.652,935 8.432,936 13.069,937 -0.576,938 16.313,939 -0.703,940 10.107,941 12.447,942 0.277,943 20.185,944 9.689,945 3.307,946 -0.809,947 18.183,948 -1.414,949 11.151,950 13.709,952 22.549,953 10.671,954 2.968,955 11.91,956 20.065,957 -2.069,958 12.353,959 15.238,960 0.184,961 25.03,962 11.845,963 2.593,964 10.355,965 21.956,966 4.371,967 13.47,968 16.595,970 27.449,971 12.91,972 2.148,973 8.159,974 23.854,975 3.971,976 14.65,977 18.08,978 0.12,979 29.915,980 14.055,981 1.994,982 5.978,983 25.758,984 3.624,985 15.801,986 19.485,988 32.359,989 15.158,990 1.773,991 5.785,992 27.667,993 2.907,994 16.976,995 20.951,996 0.077,997 34.822,998 16.295,999 1.414,1000 5.08,1001 29.58,1002 2.597,1003 18.143,1004 22.381,1006 37.278,1007 17.417,1008 4656,1009 8521,1010 17.512,1011 26.546,1012 40.036,1013 40.422,1014 41.568,1015 39.815,1016 39.469,1017 53.582,1018 1.59,1019 118.959,1020 36.677,1021 5.453,1022 5.491,1023 6.677,1024 5.325,1025 5.307,1026 7.371,1027 1.59,1028 19.578,1029 5.161,1030 9.991,1031 1.54,1032 1.555,1033 1.599,1034 1.531,1035 1.518,1036 2.061,1037 0.061,1038 4.575,1039 1.411,1040 4.092,1041 4.133,1042 4.123,1043 3.992,1044 5.113,1045 4,1046 3.871,1047 3.901,1048 3.965,1049 3.8,1050 4.945,1051 3.796,1052 3.708,1053 3.747,1054 3.817,1055 3.559,1056 4.882,1057 3.58,1058 3.344,1059 3.414,1060 3.365,1061 3.178,1062 4.488,1063 3.187,1064 3.039,1065 3.119,1066 3.275,1067 2.899,1068 4.324,1069 2.881,1070 2.879,1071 2.922,1072 3.153,1073 2.797,1074 4.181,1075 2.769,1076 2.851,1077 2.897,1078 2.856,1079 2.757,1080 3.804,1081 2.738,1082 2.753,1083 2.847,1084 2.596,1085 2.609,1086 3.612,1087 2.592,1088 0.179,1089 0.134,1090 0.269,1091 0.164,1092 0.127,1093 4.659,1094 0.168,1095 3.491,1096 0.031,1097 6.992,1098 0.458,1099 4.261,1100 0.122,1101 3.307,1102 4.371,1103 0.795,1104 11.91,1105 3.161,1106 1.963,1107 1.945,1108 2.023,1109 2.032,1110 1.177,1111 2.035,1112 1.84,1113 1.816,1114 1.927,1115 1.934,1116 1.052,1117 1.939,1118 1.551,1119 1.493,1120 1.723,1121 1.739,1122 0.876,1123 1.737,1124 1.398,1125 1.325,1126 1.624,1127 1.64,1128 0.722,1129 1.638,1130 1.111,1131 1.07,1132 1.238,1133 1.276,1134 0.359,1135 1.263,1136 0.868,1137 0.824,1138 1.11,1139 1.044,1140 0.189,1141 1.068,1142 0.849,1143 0.794,1144 1.067,1145 1.02,1146 0.173,1147 1.061,1148 0.718,1149 0.668,1150 0.918,1151 0.976,1152 0.064,1153 0.961,1154 3.97,1156 5.323,1157 2.398,1158 6.872,1159 4.844,1160 8.513,1161 7.018,1162 10.205,1164 1.926,1165 12.62,1169 0.438,1179 25.375,1180 57.018,1181 118.612,1182 145.119,1183 168.77,1184 172.77,1185 172.77,1186 28.308,1187 7.495,1188 43.07,1189 43.07,1190 24,1191 12.666,1192 4.248,1193 3.392,1194 31.434,1195 63,1196 59,1197 0.256,1198 161.763,1199 271.18,1200 386.462,1201 16942,1202 5.7,1203 15.974,1204 0.695,1205 0.6,1206 16.974,1207 13.805,1208 11.148,1209 0.429,1210 0.304,1211 7.146,1212 10.259,1213 6.886,1214 5.667,1215 11.725,1216 7.911,1217 10.305,1218 0.271,1219 0.162,1220 11.084,1221 6.149,1222 9.054,1223 0.168,1224 0.082,1225 9.675,1226 4.419,1227 7.987,1228 0.105,1229 0.043,1230 8.515,1231 3.231,1232 6.701,1233 0.068,1234 0.023,1235 7.223,1236 2.276,1237 0.375,1238 75.1,1239 0.239,1240 21.555,1241 0.793,1242 128,1243 364.987,1244 167.393,1245 421.563,1246 571.88,1247 394,1248 156,1249 393.526,1250 187.155,1251 418.126,1252 617.63,1253 395,1254 8.398}
{0 CHEMBL6597,1 1.77,2 9.375,3 3.721,4 13.844,5 93.7865,6 8.588,7 0.423,8 3.776,9 3.886,10 3.457,11 3.241,12 5.071,13 3.278,14 4.284,15 4.45,16 3.813,17 3.613,18 5.542,19 3.642,20 4.488,21 4.641,22 3.989,23 3.823,24 5.751,25 3.843,26 4.647,27 4.81,28 4.032,29 3.863,30 5.997,31 3.882,32 4.605,33 4.78,34 3.884,35 3.787,36 5.945,37 3.783,38 4.509,39 4.715,40 3.703,41 3.587,42 5.82,43 3.572,44 4.367,45 4.594,46 3.466,47 3.294,48 5.87,49 3.29,50 4.076,51 4.324,52 3.093,53 3.126,54 5.27,55 3.073,56 0.15,57 0.621,58 5.678,59 2.958,60 13.796,61 3.442,62 0.483,63 0.925,64 12.941,65 4.594,66 34.672,67 5.748,68 0.48,69 1.123,70 15.11,71 6.034,72 42.537,73 7.359,74 0.707,75 1.21,76 19.15,77 6.628,78 73.392,79 7.954,80 0.748,81 1.136,82 18.849,83 6.257,84 77.738,85 7.476,86 0.577,87 0.973,88 17.986,89 5.739,90 62.411,91 7.587,92 0.818,93 0.753,94 18.492,95 4.565,96 106.171,97 6.064,98 0.411,99 0.608,100 13.585,101 3.756,102 47.529,103 5.278,104 35,105 37,106 0.314,107 0.708,108 0.847,109 0.869,110 0.869,111 0.869,112 3.23,113 0.839,114 -2.65,115 -2.67,116 -2.6,118 39.5,119 1,123 1,124 2,135 3,136 1,137 2,139 1,144 1,149 2,151 1,158 1,159 2,160 1,161 3,162 7,163 1,166 2,168 3,169 6,173 2,174 2,175 4,176 5,181 2,182 2,183 5,184 5,188 2,190 1,191 5,192 3,197 3,198 5,199 3,205 1,208 2,210 2,211 1,212 1,215 2,216 674,217 16.223,218 16.223,219 16.223,220 16.223,221 16.223,222 14.306,223 22.263,224 9.556,225 16.688,226 12.725,227 12.725,228 12.725,229 12.725,230 12.725,231 9.823,232 21.471,233 4.332,234 13.342,235 3.478,236 1.262,237 0.481,238 0.356,239 0.356,240 0.356,241 3.907,245 1,246 1,247 470,248 3.317,251 40.329,252 47.005,253 51.685,255 78.163,256 85.048,258 1.552,259 32.881,262 1,263 0.83,264 1,265 0.6,267 1,268 1,269 0.78,270 54,271 225,272 4.643,273 3.769,274 6.946,275 4.269,276 3.308,277 4.348,278 1.674,279 11.728,280 3.181,281 4.278,282 3.664,283 6.483,284 3.899,285 2.916,286 3.886,287 1.23,288 9.995,289 2.854,290 3.818,291 3.115,292 5.931,293 3.473,294 2.516,295 3.196,296 0.521,297 8.029,298 2.405,299 3.732,300 2.753,301 5.509,302 3.342,303 2.385,304 2.997,306 7.127,307 2.267,308 3.405,309 2.409,310 5.22,311 3.037,312 2.076,313 2.602,315 6.279,316 1.982,317 2.977,318 1.985,319 4.505,320 2.411,321 1.473,322 2.036,324 3.963,325 1.376,326 2.798,327 1.808,328 4.087,329 2.19,330 1.229,331 1.878,333 3.143,334 1.176,335 2.574,336 1.494,337 3.937,338 2.097,339 1.151,340 1.586,342 2.908,343 1.083,344 2.494,345 1.287,346 3.435,347 2.012,348 1.043,349 1.466,350 1.858,351 1.004,352 2.133,353 1.197,354 3.215,355 1.733,356 0.747,357 0.923,358 1.537,359 0.724,360 2.058,361 1.008,362 2.992,363 1.632,364 0.611,365 0.859,366 1.318,367 0.615,368 1.436,369 0.351,370 2.71,371 0.942,372 -0.02,373 -0.025,374 -0.043,375 -0.019,376 1.064,377 0.152,378 2.337,379 0.622,380 -0.335,381 -0.419,382 -0.68,383 -0.319,384 0.812,385 -0.076,386 2.225,387 0.392,388 -0.594,389 -0.686,390 -0.947,391 -0.575,392 0.663,393 -0.325,394 2,395 0.31,396 -0.704,397 -0.974,398 -1.557,399 -0.703,400 10.9,401 0.454,402 0.61,403 0.025,404 31.75,405 1.323,406 15.5,407 0.646,408 16.25,409 0.677,410 17.51,411 0.73,412 25.7,413 0.676,414 25.715,415 1.071,416 6.655,417 0.277,418 4.907,419 0.204,420 0.19,422 0.394,424 0.668,425 1.4,426 0.628,427 1.224,428 0.482,429 0.977,430 0.798,431 0.934,432 0.693,433 0.764,434 0.476,435 0.7,436 0.88,437 1.127,438 0.776,439 1.027,440 0.666,441 0.905,442 1.18,443 1.115,444 1.001,445 1.057,446 1.323,447 1.005,448 1.239,449 1.003,450 1.198,451 1.043,452 1.308,453 1.109,454 0.993,455 1.144,456 1.097,457 1.28,458 0.953,459 1.225,460 1.251,461 0.757,462 1.129,463 0.807,464 0.947,465 0.914,466 1.046,467 0.875,468 1.077,469 0.899,470 0.982,471 0.97,472 4.5,473 0.045,474 3.333,475 2.035,476 1.888,477 1.226,478 0.754,479 0.306,480 0.221,481 0.09,482 5228,483 19207,484 2.015,485 36.8,487 10,489 1,492 3,494 1.676,495 1.846,496 3.135,497 -0.617,499 1,502 67.25,503 1.77,504 3.985,505 4.767,506 4.892,507 4.892,508 4.892,509 2.636,510 4.137,511 4.546,512 3.249,513 896.684,514 7.889,515 9948.64,517 1,519 1,520 199.421,521 1.528,522 4.493,523 0.173,524 0.009,525 0.09,526 0.046,527 0.043,528 0.033,529 0.026,530 0.014,531 0.014,532 0.01,533 0.458,534 0.33,535 1,536 1.451,537 111.099,538 0.019,539 -0.195,540 0.067,541 -0.176,542 0.027,543 -0.076,544 0.073,545 0.15,546 0.169,547 0.234,548 0.102,549 0.237,550 -0.021,551 -0.056,552 0.065,553 0.007,554 0.024,555 0.05,556 -0.123,557 -0.103,558 -0.089,559 -0.065,560 -0.178,561 -0.072,562 -0.169,563 0.001,564 -0.27,565 -0.07,566 -0.202,567 -0.182,568 -0.028,569 -0.187,570 -0.111,571 -0.318,572 -0.023,573 -0.249,574 0.033,575 0.101,576 -0.007,577 0.103,578 0.227,579 0.052,580 -0.143,581 0.013,582 -0.004,583 0.066,584 -0.078,585 0.075,586 2.193,587 5.608,588 0.583,589 20.188,590 1.03,591 1.139,592 1.421,593 2.019,594 0.67,595 3.296,596 3.638,597 3.97,598 4.277,599 4.533,600 4.762,601 4.905,602 5.004,603 5.1,604 5.1,605 5.218,606 0.668,607 326.35,608 3.296,609 4.844,610 5.72,611 6.624,612 7.528,613 8.444,614 9.358,615 10.279,616 11.198,617 12.121,618 15.8,623 1,624 1,626 1,628 1,629 1,632 4,633 1,637 5,638 1,639 11,642 1,643 1,650 38,652 15,653 1,654 26,656 40,657 15,658 9,659 3,660 3,661 2,663 3,664 6,667 1,674 11,675 4,677 4,680 2,682 1,683 2,685 1,687 14,688 7,690 9,692 1,694 6,695 1,696 0.333,697 3,708 1,709 1,710 1,712 1,713 1,728 1,732 2,735 24,739 2,741 1,744 1,755 7.9,758 2,760 1,762 13,763 7.8,764 5.444,765 2.303,766 2.68,767 1.366,768 0.952,769 4.26,770 10.003,771 3.597,772 4.186,773 4.801,774 5.408,775 5.908,776 6.364,777 6.81,778 7.165,779 7.49,780 7.775,781 0.857,782 44,783 8.833,784 3.779,785 8.132,786 16.143,787 12.829,788 2.632,789 63.167,793 164.795,794 87.076,795 85.337,797 61.29,800 87.076,801 226.085,802 85.337,803 8.825,804 8.852,805 56.857,806 77.97,807 31.313,808 11.771,809 176.567,811 164.795,812 172.412,813 61.29,816 188.338,817 54.454,819 32.144,820 83.927,821 33.816,823 164.795,824 146.626,825 87.076,827 164.795,828 32.807,829 59.292,831 141.603,832 164.795,833 146.626,834 87.076,835 0.575,836 0.353,837 0.2,838 0.112,839 18,840 9,841 0.1,842 4,843 2,844 1.286,845 3.386,846 204.516,847 0.286,848 14,849 108.039,852 16.067,853 6.363,854 2.77,856 129.412,857 6.272,858 4.144,862 2.031,863 1.683,865 398.497,866 35.5,869 24.68,871 3.529,872 -0.764,873 39.127,874 43.279,876 0.337,877 0.759,878 0.908,879 0.932,880 0.932,881 0.932,882 4.842,883 1.151,884 5.727,885 3.143,886 4.317,887 4.871,888 2.306,889 6.605,890 4.236,891 6.062,892 1.043,893 7.331,894 2.908,895 4.007,896 4.718,897 0.325,898 7.642,899 3.904,900 7.384,901 0.747,902 9.039,903 1.858,904 5.969,905 7.075,906 3.033,907 10.796,908 5.813,909 8.746,910 0.611,911 10.806,912 1.537,913 6.494,914 7.776,915 0.74,916 12.651,917 6.315,918 10.143,919 -0.02,920 12.609,921 1.318,922 7.935,923 9.59,924 3.921,925 15.332,926 7.713,927 11.563,928 -0.335,929 14.438,930 -0.043,931 8.821,932 10.682,933 1.168,934 17.52,935 8.57,936 13.002,937 -0.594,938 16.285,939 -0.68,940 10.077,941 12.281,942 4.883,943 20.045,944 9.788,945 3.308,946 -0.704,947 18.146,948 -0.947,949 11.124,950 13.559,951 1.605,952 22.378,953 10.8,954 2.916,955 11.728,956 20.017,957 -1.557,958 12.318,959 15.07,960 5.881,961 24.849,962 11.956,963 2.516,964 9.995,965 21.897,966 4.348,967 13.436,968 16.438,969 2.049,970 27.246,971 13.037,972 2.385,973 8.029,974 23.783,975 3.886,976 14.613,977 17.913,978 6.895,979 29.701,980 14.176,981 2.076,982 7.127,983 25.676,984 3.196,985 15.764,986 19.325,987 2.494,988 32.127,989 15.288,990 1.473,991 6.279,992 27.574,993 2.997,994 16.939,995 20.787,996 7.918,997 34.578,998 16.424,999 1.229,1000 3.963,1001 29.476,1002 2.602,1003 18.107,1004 22.221,1005 2.938,1006 37.019,1007 17.552,1008 5308,1009 10272,1010 16.819,1011 25.443,1012 39.927,1013 41.191,1014 41.904,1015 38.95,1016 38.912,1017 51.554,1018 6.852,1019 115.774,1020 37.335,1021 5.529,1022 5.769,1023 6.715,1024 5.337,1025 5.308,1026 7.348,1027 3.349,1028 19.394,1029 5.181,1030 13.636,1031 1.536,1032 1.584,1033 1.612,1034 1.498,1035 1.497,1036 1.983,1037 0.264,1038 4.453,1039 1.436,1040 4.092,1041 4.131,1042 4.065,1043 3.958,1044 7.434,1045 3.978,1046 3.786,1047 3.823,1048 3.756,1049 3.645,1050 7.427,1051 3.667,1052 3.547,1053 3.606,1054 3.472,1055 3.297,1056 6.727,1057 3.318,1058 3.484,1059 3.554,1060 3.36,1061 3.24,1062 4.927,1063 3.256,1064 3.302,1065 3.403,1066 3.258,1067 2.957,1068 4.67,1069 3.019,1070 3.071,1071 3.087,1072 2.969,1073 2.814,1074 4.438,1075 2.833,1076 2.98,1077 3.03,1078 2.848,1079 2.728,1080 4.137,1081 2.776,1082 2.824,1083 2.933,1084 2.577,1085 2.603,1086 4.065,1087 2.577,1088 0.179,1089 0.145,1090 0.267,1091 0.164,1092 0.127,1093 4.643,1094 0.167,1095 3.769,1096 0.064,1097 6.946,1098 0.451,1099 4.269,1100 0.122,1101 3.308,1102 4.348,1103 1.674,1104 11.728,1105 3.181,1106 1.922,1107 1.898,1108 1.991,1109 2.033,1110 1.132,1111 2.019,1112 1.662,1113 1.624,1114 1.824,1115 1.879,1116 1.028,1117 1.859,1118 1.494,1119 1.433,1120 1.789,1121 1.765,1122 0.937,1123 1.767,1124 1.32,1125 1.261,1126 1.517,1127 1.632,1128 0.617,1129 1.566,1130 1.308,1131 1.242,1132 1.418,1133 1.545,1134 0.384,1135 1.526,1136 1.007,1137 0.912,1138 1.209,1139 1.378,1140 0.257,1141 1.336,1142 0.947,1143 0.884,1144 1.152,1145 1.184,1146 0.204,1147 1.186,1148 0.8,1149 0.737,1150 1.047,1151 1.122,1152 0.099,1153 1.112,1154 3.97,1156 5.303,1157 2.398,1158 6.834,1159 4.844,1160 8.46,1161 7.066,1162 10.14,1164 3.346,1169 0.449,1171 5.021,1174 1.474,1179 25.38,1180 67.25,1181 151.447,1182 181.157,1183 185.911,1184 185.911,1185 185.911,1186 48.659,1187 7.323,1188 113.19,1189 113.19,1190 18,1191 12.628,1192 4,1193 3.392,1194 38.993,1195 77,1196 87,1197 0.273,1198 158.883,1199 277.79,1200 379.435,1201 13083,1203 17.267,1204 0.719,1205 0.548,1206 17.267,1207 13.145,1208 11.562,1209 0.445,1210 0.28,1211 7.106,1212 10.824,1213 6.927,1214 5.754,1215 11.562,1216 7.275,1217 10.202,1218 0.276,1219 0.14,1220 10.202,1221 5.196,1222 8.936,1223 0.172,1224 0.071,1225 8.936,1226 3.714,1227 7.58,1228 0.107,1229 0.037,1230 7.58,1231 2.632,1232 6.014,1233 0.065,1234 0.019,1235 6.014,1236 1.772,1237 0.409,1238 74.498,1239 0.244,1240 22.754,1241 0.809,1242 126,1243 475.369,1244 144.212,1245 450.876,1246 600.26,1247 418,1248 152,1249 433.354,1250 171.104,1251 433.636,1252 634.16,1253 404,1254 8.509}
{0 CHEMBL661,1 1.541,2 7.091,3 3.727,4 13.887,5 88.71,6 8.823,7 0.68,8 3.688,9 3.797,10 3.42,11 3.331,12 4.832,13 3.31,14 4.182,15 4.333,16 3.817,17 3.718,18 5.282,19 3.686,20 4.414,21 4.589,22 3.929,23 3.88,24 5.494,25 3.836,26 4.461,27 4.644,28 3.893,29 3.899,30 5.521,31 3.837,32 4.44,33 4.611,34 3.901,35 3.895,36 5.522,37 3.819,38 4.555,39 4.8,40 3.769,41 3.837,42 5.503,43 3.696,44 4.253,45 4.493,46 3.563,47 3.51,48 5.305,49 3.354,50 3.792,51 4.038,52 2.691,53 2.972,54 4.777,55 2.774,56 0.034,57 0.525,58 4.949,59 2.703,60 5.296,61 3.365,62 0.099,63 0.86,64 10.17,65 4.647,66 9.987,67 5.862,68 0.223,69 1.075,70 16.288,71 5.758,72 19.37,73 6.975,74 0.176,75 1.114,76 15.906,77 6.263,78 18.191,79 7.792,80 0.161,81 1.052,82 14.721,83 6.353,84 18.847,85 8.109,86 0.202,87 1.109,88 22.492,89 8.301,90 26.82,91 10.925,92 0.262,93 0.739,94 23.039,95 6.602,96 30.305,97 8.532,98 0.165,99 0.469,100 15.9,101 4.153,102 20.87,103 5.198,104 5,105 36,106 0.277,107 0.584,108 0.718,109 0.831,110 0.845,111 0.845,112 3.15,113 0.891,114 -5.97,115 -5.82,116 -5.42,118 48.6,119 1,124 1,135 8,136 2,137 2,148 1,152 2,157 1,159 8,161 2,162 6,166 11,168 2,169 6,173 10,175 1,176 8,180 7,184 12,187 9,191 5,195 8,198 7,202 8,204 3,208 4,211 1,215 1,216 554,217 15.137,218 15.137,219 15.137,220 15.137,221 15.137,222 12.84,223 15.179,224 8.872,225 15.511,226 12.353,227 12.353,228 12.353,229 12.353,230 12.353,231 8.981,232 18.466,233 4.214,234 13.015,235 3.588,236 1.875,237 1.129,238 0.5,239 0.422,240 0.422,241 3.849,243 1,244 1,245 1,246 1,247 346,248 2,251 35.281,252 87.884,253 43.282,255 65.815,256 69.678,258 1.017,259 12.959,261 1,262 0.75,263 0.83,264 1,265 0.6,267 1,268 1,269 0.74,270 46.333,271 156,272 4.648,273 3.469,274 6.975,275 4.249,276 3.295,277 4.362,278 0.795,279 11.849,280 3.153,281 4.26,282 3.055,283 6.456,284 3.843,285 2.885,286 3.862,288 9.968,289 2.754,290 3.919,291 2.88,292 5.692,293 3.453,294 2.499,295 3.499,297 7.545,298 2.381,299 3.46,300 2.406,301 5.008,302 2.963,303 2.054,304 2.823,306 5.785,307 1.881,308 3.319,309 2.232,310 4.923,311 2.901,312 1.957,313 2.575,315 5.458,316 1.752,317 3.101,318 1.941,319 4.706,320 2.696,321 1.735,322 2.285,324 4.735,325 1.648,326 2.772,327 1.338,328 3.969,329 2.317,330 1.322,331 1.891,333 3.17,334 1.315,335 2.545,336 1.256,337 3.735,338 2,339 1.025,340 1.5,342 2.518,343 1,344 2.5,345 1,346 3.494,347 1.976,348 1,349 1.48,350 2.341,351 0.972,352 2.386,353 0.998,354 3.247,355 1.871,356 0.918,357 1.333,358 2.136,359 0.862,360 1.434,361 0.596,362 3.051,363 1.169,364 0.214,365 0.255,366 0.568,367 0.202,368 1.284,369 0.3,370 2.781,371 0.897,372 -0.015,373 -0.019,374 -0.037,375 -0.013,376 0.75,377 -0.043,378 2.373,379 0.336,380 -0.561,381 -0.666,382 -1.372,383 -0.422,384 0.683,385 -0.612,386 2.227,387 0.24,388 -0.726,389 -0.969,390 -1.732,391 -0.708,392 0.509,393 -0.68,394 2,395 0.072,396 -0.896,397 -1.213,398 -2.347,399 -0.863,400 10.814,401 0.492,402 0.521,403 0.024,404 32,405 1.455,406 17.5,407 0.795,408 14.5,409 0.659,410 15.492,411 0.704,412 21.586,413 0.617,414 21.293,415 0.968,416 6.428,417 0.292,418 4.309,419 0.196,420 0.112,422 0.361,424 0.608,425 1.14,426 0.54,427 0.862,428 0.644,429 0.801,430 0.735,431 1.109,432 0.609,433 0.848,434 0.702,435 0.811,436 1.221,437 0.916,438 0.955,439 0.815,440 1.003,441 0.831,442 1.058,443 1.064,444 0.869,445 0.947,446 0.99,447 0.976,448 0.705,449 1.202,450 0.813,451 1.153,452 0.787,453 1.141,454 0.98,455 0.939,456 0.927,457 0.944,458 1.011,459 1.019,460 1.207,461 0.903,462 1.541,463 1.164,464 1.178,465 1.084,466 1.773,467 0.945,468 2.11,469 1.436,470 1.928,471 1.383,472 3.5,474 2.667,475 1.847,476 1.309,477 0.834,478 0.597,479 0.215,480 0.074,481 0.016,482 4437,483 12628,484 2.176,485 37.1,487 10,491 3,494 1.655,495 2.063,496 2.825,497 -0.762,499 1,501 1,502 53.932,503 1.541,504 3.255,505 4,506 4.629,507 4.708,508 4.708,509 2.254,510 4.061,511 4.433,512 2.935,513 678.032,514 7.668,515 7100.27,516 1,517 1,518 1,519 1,520 179.525,521 1.322,522 4.403,523 0.14,525 0.074,526 0.046,527 0.034,528 0.023,529 0.022,530 0.011,531 0.009,532 0.008,533 0.368,534 0.5,535 0.88,536 0.517,537 97.117,538 0.095,539 -0.085,540 0.034,541 -0.043,542 -0.02,543 -0.008,544 0.106,545 -0.059,546 0.081,547 0.011,548 0.03,549 0.036,550 -0.154,551 0.16,552 -0.104,553 0.065,554 -0.104,555 0.027,556 -0.138,557 -0.024,558 -0.1,559 -0.057,560 -0.103,561 -0.089,562 0.091,563 -0.212,564 -0.053,565 -0.248,566 0.032,567 -0.236,568 -0.056,569 -0.021,570 0.095,571 0.089,572 -0.028,573 0.039,574 0.094,575 -0.046,576 0.011,577 -0.036,578 0.202,579 0.02,580 -0.381,581 -0.079,582 -0.497,583 -0.309,584 -0.427,585 -0.286,586 1.003,587 2.117,588 0.909,589 13.727,590 1.004,591 1.115,592 4.739,593 22.461,594 0.734,595 3.258,596 3.611,597 3.951,598 4.29,599 4.554,600 4.71,601 4.89,602 5.011,603 5.075,604 5.081,605 4.469,606 0.701,607 308.79,608 3.258,609 4.812,610 5.694,611 6.6,612 7.503,613 8.417,614 9.329,615 10.246,616 11.161,617 12.081,618 11.4,624 1,625 1,626 2,632 8,633 2,637 6,638 1,639 17,640 1,649 1,650 35,652 18,653 2,654 25,656 38,657 17,658 14,659 4,660 8,661 1,663 4,664 7,665 1,667 1,674 15,675 2,677 1,682 1,683 1,685 1,687 13,688 3,690 5,691 1,694 4,696 0.5,708 1,709 2,710 1,712 1,713 1,728 2,732 1,733 1,735 22,739 1,752 1,754 1,762 10.667,763 6.86,764 4.75,765 2.094,766 3.545,767 1.48,768 1.043,769 3.143,770 10.936,771 3.57,772 4.223,773 4.87,774 5.513,775 6.044,776 6.401,777 6.885,778 7.299,779 7.685,780 8.012,781 0.8,782 40,783 8.071,784 3.459,785 7.604,786 15.535,787 12.938,788 2.104,789 46.278,793 153.024,794 106.782,795 52.011,796 39.149,800 106.782,801 192.173,802 52.011,803 8.825,804 2.106,805 75.81,806 40.739,807 31.313,809 153.024,810 39.149,811 153.024,812 158.793,814 39.149,816 153.024,819 34.271,820 91.195,821 72.475,823 153.024,824 52.011,825 145.931,827 153.024,828 22.147,829 86.534,831 89.26,832 153.024,833 52.011,834 145.931,835 0.586,836 0.353,837 0.207,838 0.118,839 20,840 8,841 0.026,842 1,843 2,844 1.2,845 3.323,846 191.153,847 0.2,848 20,849 94.107,852 13.382,853 5.166,854 2.21,856 50.112,857 15.983,858 8.408,862 5.469,863 2.047,865 350.966,866 34.5,871 4.765,872 0.933,873 35.149,874 39.013,876 0.3,877 0.635,878 0.78,879 0.902,880 0.918,881 0.918,882 4.806,883 1.025,884 5.687,885 3.17,886 4.29,887 4.909,888 0.817,889 6.553,890 4.191,891 6.036,892 1,893 7.273,894 2.518,895 3.892,896 4.677,898 7.567,899 3.696,900 7.36,901 0.918,902 8.965,903 2.341,904 5.922,905 7.145,906 0.587,907 10.735,908 5.734,909 8.722,910 0.214,911 10.721,912 2.136,913 6.382,914 7.77,916 12.624,917 6.112,918 10.118,919 -0.015,920 12.52,921 0.568,922 7.87,923 9.665,924 0.409,925 15.309,926 7.596,927 11.539,928 -0.561,929 14.349,930 -0.037,931 8.724,932 10.701,934 17.539,935 8.383,936 12.98,937 -0.726,938 16.2,939 -1.372,940 10.005,941 12.35,942 0.277,943 20.068,944 9.645,945 3.295,946 -0.896,947 18.067,948 -1.732,949 11.038,950 13.592,952 22.433,953 10.621,954 2.885,955 11.849,956 19.946,957 -2.347,958 12.244,959 15.131,960 0.184,961 24.912,962 11.797,963 2.499,964 9.968,965 21.835,966 4.362,967 13.356,968 16.478,970 27.331,971 12.858,972 2.054,973 7.545,974 23.732,975 3.862,976 14.538,977 17.968,978 0.12,979 29.796,980 14.003,981 1.957,982 5.785,983 25.635,984 3.499,985 15.686,986 19.369,988 32.239,989 15.104,990 1.735,991 5.458,992 27.543,993 2.823,994 16.862,995 20.839,996 0.077,997 34.701,998 16.24,999 1.322,1000 4.735,1001 29.455,1002 2.575,1003 18.028,1004 22.268,1006 37.156,1007 17.36,1008 4209,1009 7218,1010 17.107,1011 25.688,1012 38.327,1013 38.506,1014 39.15,1015 38.019,1016 37.807,1017 51.729,1018 1.59,1019 112.144,1020 35.838,1021 5.434,1022 5.469,1023 6.777,1024 5.313,1025 5.295,1026 7.362,1027 1.59,1028 19.44,1029 5.153,1030 7.938,1031 1.533,1032 1.54,1033 1.566,1034 1.521,1035 1.512,1036 2.069,1037 0.064,1038 4.486,1039 1.434,1040 4.091,1041 4.134,1042 4.104,1043 3.987,1044 5.109,1045 3.996,1046 3.865,1047 3.902,1048 3.824,1049 3.787,1050 4.902,1051 3.784,1052 3.707,1053 3.747,1054 3.803,1055 3.559,1056 4.775,1057 3.58,1058 3.344,1059 3.414,1060 3.329,1061 3.178,1062 4.44,1063 3.187,1064 3.038,1065 3.119,1066 3.153,1067 2.896,1068 4.181,1069 2.879,1070 2.854,1071 2.925,1072 2.859,1073 2.757,1074 3.805,1075 2.738,1076 2.851,1077 2.898,1078 2.687,1079 2.735,1080 3.674,1081 2.715,1082 2.753,1083 2.847,1084 2.575,1085 2.6,1086 3.603,1087 2.585,1088 0.186,1089 0.139,1090 0.279,1091 0.17,1092 0.132,1093 4.648,1094 0.174,1095 3.469,1096 0.032,1097 6.975,1098 0.474,1099 4.249,1100 0.126,1101 3.295,1102 4.362,1103 0.795,1104 11.849,1105 3.153,1106 1.965,1107 1.944,1108 2.047,1109 2.039,1110 1.177,1111 2.043,1112 1.843,1113 1.815,1114 1.94,1115 1.943,1116 1.054,1117 1.947,1118 1.551,1119 1.493,1120 1.724,1121 1.741,1122 0.877,1123 1.738,1124 1.398,1125 1.325,1126 1.625,1127 1.64,1128 0.722,1129 1.638,1130 1.112,1131 1.07,1132 1.241,1133 1.276,1134 0.36,1135 1.264,1136 0.886,1137 0.821,1138 1.181,1139 1.062,1140 0.218,1141 1.107,1142 0.849,1143 0.794,1144 1.078,1145 1.043,1146 0.189,1147 1.066,1148 0.727,1149 0.667,1150 0.983,1151 0.977,1152 0.1,1153 0.964,1154 3.932,1156 5.273,1157 2.398,1158 6.812,1159 4.844,1160 8.443,1161 7.018,1162 10.125,1164 1.947,1165 6.228,1169 0.497,1179 24.547,1180 53.932,1181 113.915,1182 140.015,1183 162.015,1184 164.77,1185 164.77,1186 23.913,1187 7.391,1188 43.07,1189 43.07,1190 24,1191 12.59,1192 4.248,1193 3.392,1194 29.526,1195 59,1196 60,1197 0.256,1198 153.43,1199 255.97,1200 366.13,1201 14881,1202 2.9,1203 15.104,1204 0.687,1205 0.579,1206 15.604,1207 12.749,1208 10.737,1209 0.429,1210 0.297,1211 7.01,1212 10.141,1213 6.784,1214 5.609,1215 11.026,1216 7.427,1217 9.777,1218 0.272,1219 0.156,1220 10.186,1221 5.628,1222 8.582,1223 0.168,1224 0.079,1225 8.844,1226 4.007,1227 7.622,1228 0.106,1229 0.041,1230 7.841,1231 2.965,1232 6.435,1233 0.068,1234 0.022,1235 6.706,1236 2.093,1237 0.376,1238 69.461,1239 0.242,1240 20.797,1241 0.794,1242 122,1243 330.784,1244 145.873,1245 359.575,1246 499.91,1247 338,1248 148,1249 365.663,1250 167.445,1251 380.684,1252 560.71,1253 360,1254 8}
{0 CHEMBL73096,1 1.429,2 6.474,3 2.72,4 7.401,5 75.157,6 7.585,7 0.571,8 3.592,9 3.703,10 3.192,11 3.215,12 4.719,13 3.186,14 4.089,15 4.253,16 3.529,17 3.58,18 5.172,19 3.537,20 4.343,21 4.516,22 3.707,23 3.763,24 5.49,25 3.712,26 4.389,27 4.573,28 3.61,29 3.753,30 5.501,31 3.68,32 4.432,33 4.653,34 3.489,35 3.732,36 5.468,37 3.625,38 4.346,39 4.591,40 3.189,41 3.547,42 5.35,43 3.4,44 4.081,45 4.354,46 2.697,47 3.163,48 5.055,49 2.981,50 3.617,51 3.934,52 1.823,53 2.54,54 4.474,55 2.283,56 0.01,57 0.449,58 6.103,59 2.893,60 4.054,61 3.75,62 0.123,63 0.748,64 11.363,65 4.574,66 11.03,67 6.101,68 0.181,69 0.944,70 15.271,71 6.13,72 25.295,73 8.043,74 0.135,75 0.967,76 16.341,77 6.505,78 25.061,79 8.45,80 0.141,81 1.003,82 17.928,83 7.058,84 26.351,85 9.548,86 0.133,87 0.876,88 17.332,89 6.95,90 29.096,91 9.455,92 0.13,93 0.647,94 14.143,95 5.48,96 28.827,97 7.49,98 0.093,99 0.391,100 9.515,101 3.573,102 19.993,103 5.018,104 5,105 29,106 0.263,107 0.535,108 0.641,109 0.763,110 0.832,111 0.847,112 3.013,113 0.89,114 -4.07,115 -4.02,116 -3.81,118 48.5,123 1,124 1,135 9,136 2,137 1,148 1,149 1,159 10,161 1,162 4,166 11,168 2,169 5,173 8,176 8,180 6,184 7,187 8,191 5,195 7,198 3,202 4,204 1,208 1,216 373,217 13.035,218 13.035,219 13.035,220 13.035,221 13.035,222 11.269,223 11.912,224 7.788,225 13.162,226 10.35,227 10.35,228 10.35,229 10.35,230 10.35,231 7.723,232 17.545,233 3.67,234 10.535,235 3.615,236 2.141,237 1.565,238 0.905,239 0.531,240 0.447,241 3.693,244 1,245 1,246 1,247 264,248 1.732,252 85.046,253 44.66,256 71.731,258 0.975,259 13.026,261 1,262 1,263 1,264 1,265 0.6,266 0.5,267 1,268 1,269 0.87,270 40,271 123,272 4.523,273 3.77,274 6.822,275 4.177,276 3.204,277 4.119,278 1.988,279 11.252,280 3.121,281 4.031,282 3.188,283 6.197,284 3.696,285 2.722,286 3.53,287 0.701,288 8.979,289 2.647,290 3.68,291 2.707,292 5.5,293 3.302,294 2.298,295 2.945,296 0.485,297 6.819,298 2.299,299 3.353,300 2.102,301 4.761,302 2.862,303 1.886,304 2.657,306 4.966,307 1.837,308 2.906,309 1.755,310 3.948,311 2.47,312 1.475,313 2.053,315 3.283,316 1.463,317 2.77,318 1.405,319 3.686,320 2.312,321 1.313,322 1.887,324 2.945,325 1.312,326 2.547,327 1.316,328 3.533,329 2.005,330 1.035,331 1.5,333 2.517,334 1,335 2.5,336 1.03,337 3.331,338 2,339 1,340 1.488,342 2.136,343 1,344 1.946,345 1,346 3.247,347 1.553,348 0.574,349 0.732,350 1.433,351 0.557,352 1.429,353 0.693,354 2.83,355 1.149,356 0.157,357 0.188,358 0.367,359 0.154,360 0.802,361 -0.135,362 2.259,363 0.391,364 -0.597,365 -0.759,366 -1.4,367 -0.586,368 0.706,369 -0.523,370 2,371 0.194,372 -0.809,373 -1.124,374 -1.853,375 -0.801,376 0.576,377 -0.746,378 2,379 0.1,380 -0.898,381 -1.309,382 -2.182,383 -0.893,384 0.5,385 -0.866,386 1.607,388 -1,389 -1.5,390 -2.347,391 -1,392 0.086,393 -1,394 1.555,395 -0.242,396 -1.267,397 -1.66,398 -3.103,399 -1.302,400 9.133,401 0.481,402 0.401,403 0.021,404 27.5,405 1.447,406 15.5,407 0.816,408 12,409 0.632,410 11.475,411 0.604,412 19.067,413 0.578,414 18.475,415 0.972,416 5.704,417 0.3,418 3.567,419 0.188,420 0.091,422 0.318,424 0.63,425 1.216,426 0.738,427 0.991,428 0.554,429 0.894,430 0.8,431 0.998,432 0.852,433 0.858,434 0.658,435 0.847,436 0.999,437 1.038,438 0.901,439 0.938,440 0.971,441 0.914,442 1.288,443 1.142,444 1.102,445 1.076,446 1.252,447 1.068,448 1.003,449 1.004,450 1.087,451 1.045,452 0.88,453 1.062,454 0.99,455 1.003,456 1.106,457 1.117,458 1.018,459 1.126,460 1.14,461 0.924,462 1.104,463 1.054,464 1.314,465 1.081,466 1.047,467 0.821,468 1.057,469 0.987,470 1.279,471 1.029,472 2.5,474 2.444,475 1.563,476 1.038,477 0.521,478 0.312,479 0.128,480 0.041,482 2866,483 7338,484 2.113,485 42.4,487 14,494 1.612,495 2,496 2.729,497 -0.828,499 1,501 1,502 47.162,503 1.429,504 2.903,505 3.479,506 4.139,507 4.514,508 4.597,509 2.149,510 4.037,511 4.223,512 2.806,513 479.908,514 7.238,515 4581.53,516 1,517 1,519 1,520 166.465,521 1.324,522 4.189,523 0.119,525 0.084,526 0.046,527 0.035,528 0.02,529 0.017,530 0.013,531 0.014,533 0.348,534 1,535 1,536 0.565,537 79.458,538 0.011,539 -0.17,540 0.058,541 -0.05,542 -0.05,543 -0.004,544 0.067,545 0.082,546 0.028,547 0.064,548 -0.036,549 0.048,550 0.091,551 -0.001,552 0.017,553 -0.005,554 0.042,555 -0.008,556 -0.159,557 -0.133,558 -0.169,559 -0.135,560 -0.106,561 -0.151,562 -0.105,563 -0.015,564 -0.13,565 -0.087,566 -0.036,567 -0.102,568 -0.059,569 -0.088,570 -0.107,571 -0.124,572 -0.005,573 -0.12,574 -0.069,575 -0.05,576 -0.046,577 -0.042,578 -0.063,579 -0.043,580 -0.019,581 0.01,582 0.063,583 0.05,584 -0.045,585 0.061,586 1.654,587 4.973,588 0.895,589 10.244,590 0.995,591 1.112,592 2.844,593 8.088,594 0.698,595 3.091,596 3.401,597 3.714,598 3.97,599 4.22,600 4.29,601 4.357,602 4.344,603 4.304,604 4.277,605 4.12,606 0.664,607 250.32,608 3.091,609 4.615,610 5.476,611 6.354,612 7.236,613 8.124,614 9.012,615 9.902,616 10.793,617 11.685,618 6.1,623 1,625 1,632 9,637 3,639 12,640 1,650 33,652 14,653 2,654 21,656 35,657 16,658 12,659 3,660 9,661 1,663 3,664 4,674 14,675 2,677 2,680 1,682 1,683 2,685 1,687 14,688 3,690 3,694 2,696 0.667,697 1,709 2,710 1,713 1,720 1,728 2,732 1,735 19,739 1,744 1,755 3,758 1,762 9.5,763 6.317,764 4.222,765 1.915,766 2.565,767 1.387,768 1.006,769 2.981,770 9.197,771 3.401,772 3.97,773 4.559,774 5.121,775 5.659,776 5.852,777 6.22,778 6.48,779 6.714,780 6.982,781 1,782 34,783 7.008,784 2.957,785 7.702,786 13.423,787 10.93,788 2.202,789 41.833,790 0.001,793 164.795,794 112.378,795 19.91,797 25.145,800 112.378,801 189.94,802 19.91,803 8.396,804 5.23,805 85.286,806 32.606,807 25.913,809 164.795,811 164.795,812 132.287,813 25.145,816 164.795,817 25.145,819 22.016,820 110.272,823 164.795,824 45.055,825 112.378,827 164.795,828 18.695,829 96.807,831 41.93,832 164.795,833 45.055,834 112.378,835 0.576,836 0.352,837 0.196,838 0.11,839 15,840 6,841 0.029,842 1,843 1,844 1.118,845 3.047,846 146.954,847 0.118,848 17,849 76.711,852 11.822,853 4.791,854 2.091,856 45.055,857 17.86,862 2.952,865 322.228,866 29,869 11.973,871 4.492,872 0.896,873 32.833,874 36.697,876 0.283,877 0.575,878 0.69,879 0.821,880 0.895,881 0.911,882 4.615,883 1,884 5.451,885 2.517,886 4.078,887 4.654,888 2.192,889 6.282,890 4.04,891 5.813,892 0.574,893 7.022,894 2.136,895 3.611,896 4.27,897 1.668,898 7.256,899 3.545,900 7.11,901 0.157,902 8.704,903 1.433,904 5.673,905 6.792,906 3.105,907 10.411,908 5.588,909 8.448,910 -0.597,911 10.454,912 0.367,913 6.089,914 7.256,915 3.205,916 12.247,917 5.966,918 9.819,919 -0.809,920 12.247,921 -1.4,922 7.59,923 9.212,924 4.301,925 14.912,926 7.452,927 11.216,928 -0.898,929 14.069,930 -1.853,931 8.408,932 10.099,933 4.681,934 17.079,935 8.23,936 12.633,937 -1,938 15.91,939 -2.182,940 9.688,941 11.79,942 5.592,943 19.581,944 9.492,945 3.204,946 -1.267,947 17.765,948 -2.347,949 10.689,950 12.908,951 6.113,952 21.886,953 10.457,954 2.722,955 11.252,956 19.631,957 -3.103,958 11.883,959 14.463,960 6.924,961 24.331,962 11.63,963 2.298,964 8.979,965 21.504,966 4.119,967 12.968,968 15.709,969 7.519,970 26.697,971 12.682,972 1.886,973 6.819,974 23.384,975 3.53,976 14.132,977 17.194,978 8.275,979 29.122,980 13.823,981 1.475,982 4.966,983 25.269,984 2.945,985 15.255,986 18.512,987 8.911,988 31.515,989 14.915,990 1.313,991 3.283,992 27.158,993 2.657,994 16.41,995 19.96,996 9.636,997 33.933,998 16.046,999 1.035,1000 2.945,1001 29.051,1002 2.053,1003 17.551,1004 21.318,1005 10.295,1006 36.339,1007 17.158,1008 2818,1009 4588,1010 14.216,1011 23.034,1012 31.749,1013 32.614,1014 32.474,1015 31.337,1016 31.326,1017 42.198,1018 6.348,1019 89.39,1020 30.781,1021 5.369,1022 5.77,1023 6.624,1024 5.194,1025 5.204,1026 7.119,1027 3.469,1028 18.729,1029 5.121,1030 7.008,1031 1.512,1032 1.553,1033 1.546,1034 1.492,1035 1.492,1036 2.009,1037 0.302,1038 4.257,1039 1.466,1040 4.027,1041 4.058,1042 3.983,1043 3.952,1044 7.427,1045 3.955,1046 3.828,1047 3.861,1048 3.757,1049 3.764,1050 4.871,1051 3.758,1052 3.552,1053 3.597,1054 3.47,1055 3.36,1056 4.681,1057 3.381,1058 3.26,1059 3.344,1060 3.159,1061 3.07,1062 4.366,1063 3.081,1064 3.009,1065 3.06,1066 2.855,1067 2.844,1068 4.027,1069 2.834,1070 2.854,1071 2.925,1072 2.687,1073 2.735,1074 3.674,1075 2.715,1076 2.782,1077 2.853,1078 2.61,1079 2.659,1080 3.593,1081 2.638,1082 2.655,1083 2.72,1084 2.506,1085 2.547,1086 3.528,1087 2.529,1088 0.215,1089 0.18,1090 0.325,1091 0.199,1092 0.153,1093 4.523,1094 0.196,1095 3.77,1096 0.095,1097 6.822,1098 0.536,1099 4.177,1100 0.149,1101 3.204,1102 4.119,1103 1.988,1104 11.252,1105 3.121,1106 1.963,1107 1.939,1108 2.057,1109 2.038,1110 1.169,1111 2.046,1112 1.836,1113 1.806,1114 1.961,1115 1.94,1116 1.037,1117 1.947,1118 1.531,1119 1.481,1120 1.718,1121 1.764,1122 0.829,1123 1.752,1124 1.235,1125 1.165,1126 1.526,1127 1.467,1128 0.613,1129 1.492,1130 0.995,1131 0.93,1132 1.225,1133 1.183,1134 0.348,1135 1.197,1136 0.886,1137 0.821,1138 1.181,1139 1.062,1140 0.218,1141 1.107,1142 0.819,1143 0.749,1144 1.113,1145 1.004,1146 0.179,1147 1.046,1148 0.692,1149 0.632,1150 0.957,1151 0.869,1152 0.069,1153 0.904,1154 3.761,1156 5.069,1158 6.589,1159 2.708,1160 8.199,1161 5.38,1162 9.857,1164 1.796,1169 0.19,1174 1.675,1179 21.918,1180 47.162,1181 95.797,1182 114.816,1183 136.591,1184 148.955,1185 151.71,1186 24.042,1187 6.632,1188 32.67,1189 32.67,1190 19,1191 12.213,1192 3.907,1193 3.17,1194 27.467,1195 47,1196 46,1197 0.302,1198 136.233,1199 236.15,1200 324.169,1201 5706,1203 13.242,1204 0.697,1205 0.563,1206 13.242,1207 10.706,1208 9.271,1209 0.441,1210 0.297,1211 6.168,1212 9.039,1213 5.982,1214 4.987,1215 9.271,1216 6.23,1217 8.088,1218 0.279,1219 0.155,1220 8.088,1221 4.501,1222 7.208,1223 0.18,1224 0.083,1225 7.208,1226 3.314,1227 5.875,1228 0.113,1229 0.044,1230 5.875,1231 2.281,1232 4.928,1233 0.074,1234 0.024,1235 4.928,1236 1.576,1237 0.441,1238 57.279,1239 0.265,1240 18.303,1241 0.939,1242 100,1243 271.026,1244 106.35,1245 267.984,1246 371.58,1247 252,1248 119,1249 274.918,1250 126.072,1251 282.179,1252 413.33,1253 266,1254 5}
{0 CHEMBL73416,1 1.553,2 9.042,3 4.491,4 20.173,5 96.014,6 7.77,7 0.615,8 3.865,9 3.986,10 3.475,11 3.444,12 4.942,13 3.406,14 4.396,15 4.581,16 3.843,17 3.82,18 5.422,19 3.762,20 4.616,21 4.822,22 3.898,23 3.945,24 5.649,25 3.863,26 4.682,27 4.901,28 3.811,29 3.914,30 5.727,31 3.828,32 4.624,33 4.845,34 3.808,35 3.914,36 5.606,37 3.832,38 4.714,39 4.94,40 3.873,41 3.999,42 5.739,43 3.891,44 4.742,45 4.991,46 3.793,47 3.968,48 5.716,49 3.825,50 4.613,51 4.86,52 3.557,53 3.788,54 5.62,55 3.615,56 0.006,57 0.627,58 8.492,59 3.895,60 4.978,61 5.242,62 0.171,63 1.019,64 17.058,65 6.414,66 15.085,67 8.871,68 0.215,69 1.187,70 24.335,71 8.369,72 30.414,73 11.305,74 0.328,75 1.252,76 26.301,77 8.444,78 48.386,79 11.324,80 0.274,81 1.233,82 22.361,83 7.81,84 29.25,85 10.899,86 0.264,87 1.302,88 25.319,89 9.21,90 33.54,91 12.902,92 0.224,93 1.249,94 28.075,95 10.305,96 36.445,97 14.287,98 0.271,99 1.031,100 27.388,101 9.267,102 45.481,103 12.479,104 22,105 36,106 0.269,107 0.604,108 0.79,109 0.852,110 0.852,111 0.852,112 3.229,113 0.973,114 -4.75,115 -4.66,116 -4.38,118 43.2,119 1,120 2,123 1,124 1,135 7,136 1,137 1,139 1,143 1,144 1,149 1,152 1,159 8,161 2,162 6,166 8,168 1,169 7,173 4,175 1,176 8,180 2,183 1,184 7,187 4,190 1,191 7,195 7,198 7,202 9,204 5,208 9,215 9,216 886,217 16.215,218 16.215,219 16.215,220 16.215,221 16.215,222 14.214,223 10.828,224 9.666,225 16.58,226 12.786,227 12.786,228 12.786,229 12.786,230 12.786,231 9.725,232 11.242,233 4.511,234 13.436,235 3.907,236 1.97,237 0.89,238 0.534,239 0.534,240 0.534,241 3.908,243 1,245 1,246 1,247 455,248 3.464,251 50.525,252 129.663,254 97.691,258 1.219,259 17.745,261 1,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 50.833,271 217,272 4.673,273 3.714,274 6.864,275 4.208,276 3.259,277 4.608,278 1.943,279 11.487,280 3.096,281 4.055,282 3.312,283 5.992,284 3.663,285 2.693,286 3.69,287 0.736,288 8.433,289 2.606,290 3.897,291 2.926,292 5.882,293 3.587,294 2.629,295 3.121,296 0.079,297 7.996,298 2.51,299 3.633,300 2.493,301 5.211,302 3.156,303 2.246,304 3.015,306 6.239,307 2.02,308 3.286,309 2.328,310 4.987,311 2.86,312 1.9,313 2.586,315 5.713,316 1.768,317 3.017,318 1.789,319 4.433,320 2.486,321 1.527,322 2.267,324 4.107,325 1.453,326 2.715,327 1.555,328 4.034,329 2.409,330 1.441,331 1.802,333 3.379,334 1.388,335 2.544,336 1.353,337 3.609,338 2.162,339 1.204,340 1.53,342 2.858,343 1.137,344 2.5,345 1.257,346 3.455,347 2,348 1,349 1.5,350 2.275,351 1,352 2.133,353 1,354 3.414,355 1.856,356 0.854,357 1.036,358 1.854,359 0.845,360 1.97,361 0.888,362 2.891,363 1.579,364 0.6,365 0.765,366 1.155,367 0.582,368 1.213,369 0.343,370 2.636,371 0.809,372 -0.095,373 -0.119,374 -0.222,375 -0.074,376 0.905,377 0.197,378 2.23,379 0.523,380 -0.372,381 -0.443,382 -0.842,383 -0.307,384 0.674,385 -0.051,386 2.205,387 0.456,388 -0.593,389 -0.678,390 -0.964,391 -0.615,392 0.658,393 -0.683,394 2,395 0.156,396 -0.797,397 -1.088,398 -1.976,399 -0.732,400 11.748,401 0.489,402 0.575,403 0.024,404 31,405 1.292,406 15.5,407 0.646,408 15.5,409 0.646,410 19.509,411 0.813,412 25.452,413 0.578,414 22.11,415 0.921,416 6.059,417 0.252,418 5.538,419 0.231,420 0.174,422 0.323,424 0.653,425 1.434,426 0.639,427 1.041,428 0.552,429 0.961,430 0.75,431 1.095,432 0.685,433 0.848,434 0.561,435 0.848,436 1.116,437 1.056,438 0.939,439 0.951,440 1.055,441 0.932,442 1.507,443 1.058,444 0.981,445 0.919,446 1.695,447 0.955,448 1.067,449 1.031,450 0.735,451 0.835,452 0.99,453 0.899,454 0.763,455 1.032,456 0.758,457 0.985,458 0.678,459 1.009,460 0.753,461 0.956,462 0.764,463 0.979,464 0.843,465 0.991,466 1.124,467 0.955,468 1.101,469 1.106,470 1.386,471 1.126,472 4.5,473 0.049,474 3.111,475 1.764,476 1.249,477 0.959,478 0.634,479 0.434,480 0.258,481 0.132,482 5603,483 15549,484 2.04,485 45.5,486 5,487 12,488 1,491 2,494 1.677,495 1.895,496 3.135,497 -0.782,499 1,502 68.311,503 1.553,504 3.49,505 4.569,506 4.925,507 4.925,508 4.925,509 2.606,510 4.304,511 4.551,512 3.26,513 899.79,514 7.9,515 10419.8,517 1,519 1,520 240.215,521 1.459,522 4.507,523 0.173,524 0.008,525 0.086,526 0.048,527 0.037,528 0.027,529 0.018,530 0.014,531 0.012,532 0.01,533 0.435,534 0.33,535 1,536 1.577,537 112.233,538 0.005,539 -0.27,540 0.034,541 -0.091,542 -0.033,543 -0.031,544 0.095,545 0.031,546 0.088,547 0.075,548 0.056,549 0.077,550 -0.076,551 -0.011,552 -0.023,553 0.001,554 -0.04,555 0.012,556 -0.212,557 -0.018,558 -0.117,559 -0.004,560 -0.217,561 -0.041,562 -0.087,563 0.052,564 -0.025,565 0.061,566 -0.06,567 0.017,568 0.065,569 0.002,570 0.005,571 -0.052,572 0.101,573 -0.056,574 0.057,575 -0.013,576 0.083,577 -0.004,578 0.051,579 0.005,580 -0.052,581 -0.058,582 -0.071,583 -0.102,584 -0.077,585 -0.124,586 1.523,587 5.177,588 0.625,589 19.667,590 0.998,591 1.122,592 3.521,593 12.396,594 0.686,595 3.296,596 3.611,597 3.892,598 4.159,599 4.419,600 4.533,601 4.673,602 4.779,603 4.771,604 4.673,605 5.396,606 0.644,607 341.87,608 3.296,609 4.828,610 5.68,611 6.561,612 7.442,613 8.336,614 9.231,615 10.133,616 11.035,617 11.941,618 6.8,623 1,624 1,626 1,631 1,632 8,633 1,637 4,639 16,649 1,650 44,652 17,653 1,654 26,656 46,657 19,658 13,659 2,660 4,663 3,664 4,665 1,667 1,672 2,674 14,675 5,677 1,680 1,683 1,685 1,687 20,688 3,690 5,691 1,692 1,694 3,696 0.667,697 1,702 1,708 1,709 2,711 1,720 1,728 2,732 2,733 1,735 24,739 3,744 1,754 1,755 2.3,758 1,762 12.667,763 8.576,764 5.389,765 2.791,766 3.24,767 1.461,768 0.982,769 5.1,770 10.274,771 3.584,772 4.201,773 4.823,774 5.446,775 6.029,776 6.41,777 6.877,778 7.328,779 7.576,780 7.822,781 1,782 37,783 8.858,784 3.678,785 7.692,786 17.031,787 13.737,788 2.192,789 52.611,792 1,793 235.422,794 118.397,795 21.196,796 39.149,797 25.145,800 118.397,801 299.716,802 21.196,803 17.222,804 10.299,805 75.381,806 48.35,807 10.729,808 14.528,809 223.651,810 39.149,811 235.422,812 139.593,813 25.145,814 39.149,816 235.422,817 25.145,819 24.883,820 97.925,821 55.934,823 235.422,824 46.341,825 157.546,827 235.422,828 25.794,829 97.014,831 81.079,832 235.422,833 46.341,834 157.546,835 0.574,836 0.338,837 0.18,838 0.105,839 17,840 8,841 0.109,842 5,843 1,844 1.133,845 3.516,846 196.438,847 0.133,848 15,849 106.039,852 16.844,853 7.266,854 3.592,855 0.869,856 45.055,857 15.517,858 4.753,862 3.572,865 439.309,866 35,869 12.177,872 0.144,873 43.909,874 49.385,876 0.284,877 0.639,878 0.837,879 0.902,880 0.902,881 0.902,882 4.804,883 1.204,884 5.666,885 3.379,886 4.29,887 4.887,888 2.108,889 6.491,890 4.194,891 6.019,892 1,893 7.235,894 2.858,895 3.892,896 4.732,897 1.668,898 7.434,899 3.696,900 7.332,901 0.854,902 8.907,903 2.275,904 5.889,905 7.14,906 2.993,907 10.562,908 5.698,909 8.686,910 0.6,911 10.641,912 1.854,913 6.33,914 7.853,915 3.138,916 12.376,917 6.051,918 10.075,919 -0.095,920 12.415,921 1.155,922 7.801,923 9.734,924 4.144,925 15.032,926 7.515,927 11.491,928 -0.372,929 14.217,930 -0.222,931 8.628,932 10.867,933 4.549,934 17.209,935 8.267,936 12.927,937 -0.593,938 16.039,939 -0.842,940 9.896,941 12.533,942 5.394,943 19.714,944 9.511,945 3.259,946 -0.797,947 17.878,948 -0.964,949 10.905,950 13.874,951 5.925,952 22.044,953 10.454,954 2.693,955 11.487,956 19.731,957 -1.976,958 12.098,959 15.451,960 6.684,961 24.501,962 11.611,963 2.629,964 8.433,965 21.593,966 4.608,967 13.192,968 16.89,969 7.279,970 26.895,971 12.645,972 2.246,973 7.996,974 23.465,975 3.69,976 14.361,977 18.432,978 7.993,979 29.339,980 13.77,981 1.9,982 6.239,983 25.344,984 3.121,985 15.495,986 19.917,987 8.621,988 31.759,989 14.848,990 1.527,991 5.713,992 27.23,993 3.015,994 16.661,995 21.447,996 9.312,997 34.199,998 15.965,999 1.441,1000 4.107,1001 29.121,1002 2.586,1003 17.815,1004 22.954,1005 9.957,1006 36.631,1007 17.064,1008 5602,1009 9451,1010 17.107,1011 30.182,1012 39.233,1013 39.895,1014 40.621,1015 38.947,1016 38.706,1017 51.839,1018 5.516,1019 110.993,1020 36.813,1021 5.561,1022 5.714,1023 6.633,1024 5.256,1025 5.259,1026 7.608,1027 3.352,1028 18.832,1029 5.096,1030 12.386,1031 1.509,1032 1.534,1033 1.562,1034 1.498,1035 1.489,1036 1.994,1037 0.212,1038 4.269,1039 1.416,1040 4.148,1041 4.193,1042 4.131,1043 4.015,1044 7.427,1045 4.034,1046 3.849,1047 3.875,1048 3.944,1049 3.787,1050 5.062,1051 3.782,1052 3.741,1053 3.795,1054 3.639,1055 3.561,1056 4.904,1057 3.566,1058 3.476,1059 3.553,1060 3.418,1061 3.338,1062 4.39,1063 3.329,1064 3.296,1065 3.352,1066 3.251,1067 3.12,1068 4.185,1069 3.124,1070 3.006,1071 3.086,1072 3.079,1073 2.806,1074 4.124,1075 2.804,1076 2.937,1077 3.016,1078 2.835,1079 2.745,1080 4.03,1081 2.728,1082 2.854,1083 2.925,1084 2.74,1085 2.735,1086 3.777,1087 2.715,1088 0.18,1089 0.143,1090 0.264,1091 0.162,1092 0.125,1093 4.673,1094 0.177,1095 3.714,1096 0.075,1097 6.864,1098 0.442,1099 4.208,1100 0.119,1101 3.259,1102 4.608,1103 1.943,1104 11.487,1105 3.096,1106 1.924,1107 1.896,1108 2.016,1109 2.071,1110 1.205,1111 2.055,1112 1.887,1113 1.85,1114 1.977,1115 1.973,1116 1.148,1117 1.982,1118 1.702,1119 1.647,1120 1.939,1121 1.901,1122 1.062,1123 1.911,1124 1.507,1125 1.447,1126 1.745,1127 1.706,1128 0.895,1129 1.731,1130 1.262,1131 1.199,1132 1.479,1133 1.461,1134 0.603,1135 1.467,1136 0.998,1137 0.927,1138 1.388,1139 1.281,1140 0.505,1141 1.319,1142 0.971,1143 0.885,1144 1.194,1145 1.184,1146 0.282,1147 1.192,1148 0.886,1149 0.821,1150 1.181,1151 1.062,1152 0.218,1153 1.107,1154 3.97,1156 5.283,1157 2.398,1158 6.795,1159 4.844,1160 8.396,1161 7.05,1162 10.046,1164 3.852,1165 6,1169 1.922,1174 1.763,1179 28.348,1180 68.311,1181 153.544,1182 201.054,1183 216.705,1184 216.705,1185 216.705,1186 38.266,1187 7.034,1188 37.61,1189 37.61,1190 17,1191 12.46,1192 4.17,1193 3.322,1194 38.907,1195 73,1196 92,1197 0.255,1198 180.138,1199 303.36,1200 431.296,1201 9422,1202 2.3,1203 17.104,1204 0.713,1205 0.609,1206 17.604,1207 14.624,1208 11.597,1209 0.446,1210 0.324,1211 8.002,1212 10.964,1213 7.711,1214 6.457,1215 11.885,1216 8.435,1217 10.271,1218 0.285,1219 0.174,1220 10.679,1221 6.279,1222 8.668,1223 0.181,1224 0.089,1225 8.957,1226 4.275,1227 6.942,1228 0.11,1229 0.046,1230 7.108,1231 2.88,1232 5.778,1233 0.07,1234 0.025,1235 5.992,1236 2.049,1237 0.386,1238 74.937,1239 0.242,1240 23.012,1241 0.747,1242 124,1243 342.874,1244 148.672,1245 366.39,1246 495.39,1247 342,1248 146,1249 346.654,1250 166.134,1251 362.409,1252 530.54,1253 341,1254 8.453}
{0 CHEMBL911,1 1.421,2 7.957,3 3.792,4 14.379,5 92.173,6 6.987,7 0.64,8 3.858,9 3.987,10 3.382,11 3.416,12 4.929,13 3.378,14 4.386,15 4.589,16 3.745,17 3.794,18 5.38,19 3.744,20 4.55,21 4.725,22 3.792,23 3.938,24 5.629,25 3.863,26 4.741,27 4.987,28 3.708,29 3.939,30 5.711,31 3.828,32 4.602,33 4.843,34 3.76,35 3.865,36 5.593,37 3.782,38 4.553,39 4.748,40 3.746,41 3.891,42 5.633,43 3.817,44 4.676,45 4.91,46 3.606,47 3.89,48 5.713,49 3.77,50 4.578,51 4.82,52 3.206,53 3.751,54 5.512,55 3.568,56 0.027,57 0.639,58 9.44,59 3.963,60 6.644,61 5.523,62 0.203,63 1.029,64 17.468,65 6.31,66 14.494,67 9.126,68 0.138,69 1.187,70 20.221,71 7.731,72 25.993,73 10.807,74 0.36,75 1.322,76 26.492,77 9.07,78 45.398,79 13.012,80 0.223,81 1.184,82 22.485,83 8.19,84 27.88,85 11.869,86 0.176,87 1.177,88 20.737,89 7.346,90 25.876,91 10.436,92 0.231,93 1.237,94 24.368,95 8.671,96 41.041,97 12.327,98 0.232,99 1.075,100 22.254,101 8.35,102 38.038,103 11.709,104 29,105 36,106 0.246,107 0.573,108 0.711,109 0.764,110 0.799,111 0.799,112 3.19,113 0.924,114 -4.26,115 -4.19,116 -3.96,118 43.2,119 2,120 1,123 2,135 6,136 3,139 1,143 1,144 1,149 1,152 1,159 10,161 2,162 7,166 10,169 7,173 7,175 2,176 5,180 6,183 2,184 6,187 8,191 10,195 8,198 9,202 8,204 2,208 5,211 2,215 3,216 756,217 15.085,218 15.085,219 15.085,220 15.085,221 15.085,222 13.06,223 12.731,224 8.7,225 15.313,226 12.31,227 12.31,228 12.31,229 12.31,230 12.31,231 9.188,232 11.665,233 4.15,234 12.676,235 4.039,236 2.147,237 1.347,238 1.04,239 0.841,240 0.841,241 3.864,244 1,245 1,246 1,247 383,248 3.24,251 46.957,252 122.662,254 90.489,258 1.183,259 15.02,260 1,261 1,262 1,263 1,264 1,265 0.8,266 0.5,267 1,268 1,269 0.9,270 48.5,271 183,272 4.686,273 3.734,274 6.87,275 4.22,276 3.268,277 4.628,278 2.015,279 11.514,280 3.116,281 4.081,282 3.275,283 6.012,284 3.651,285 2.668,286 3.713,287 0.625,288 8.524,289 2.62,290 3.872,291 2.729,292 5.759,293 3.605,294 2.632,295 3.222,296 0.111,297 7.558,298 2.552,299 3.699,300 2.514,301 5.211,302 3.312,303 2.32,304 3.012,306 6.274,307 2.301,308 3.44,309 2.222,310 4.988,311 3.048,312 2.063,313 2.784,315 5.766,316 2.028,317 3.249,318 2.058,319 4.948,320 2.809,321 1.851,322 2.545,324 5.643,325 1.771,326 2.765,327 1.94,328 4.393,329 2.261,330 1.31,331 1.885,333 3.871,334 1.242,335 2.5,336 1.347,337 3.774,338 2.096,339 1.115,340 1.5,342 2.721,343 1.084,344 2.377,345 1.052,346 3.414,347 2,348 1,349 1.319,350 2.275,351 1,352 2.15,353 1,354 3.342,355 1.683,356 0.697,357 0.964,358 1.719,359 0.682,360 1.36,361 0.459,362 2.744,363 1.018,364 0.027,365 0.034,366 0.065,367 0.027,368 1.05,369 0.098,370 2.403,371 0.7,372 -0.297,373 -0.376,374 -0.678,375 -0.294,376 0.804,377 -0.11,378 2.313,379 0.404,380 -0.595,381 -0.767,382 -1.58,383 -0.588,384 0.593,385 -0.6,386 2.228,387 0.12,388 -0.864,389 -1,390 -2,391 -0.85,392 0.5,393 -0.601,394 2,396 -1,397 -1.205,398 -2.582,399 -0.9,400 11.033,401 0.48,402 0.72,403 0.031,404 30.25,405 1.315,406 15.5,407 0.674,408 14.75,409 0.641,410 18.113,411 0.788,412 24.367,413 0.554,414 21.99,415 0.956,416 6.131,417 0.267,418 4.822,419 0.21,420 0.211,422 0.39,424 0.713,425 1.434,426 0.829,427 1.142,428 0.606,429 1.019,430 0.814,431 0.908,432 0.75,433 0.75,434 0.557,435 0.732,436 1.211,437 1.31,438 1.128,439 1.211,440 1.154,441 1.167,442 1.37,443 0.898,444 1.056,445 0.878,446 1.554,447 0.928,448 0.761,449 0.988,450 0.737,451 0.879,452 0.697,453 0.814,454 1.37,455 1.16,456 1.139,457 1.095,458 1.08,459 1.082,460 1.389,461 1.043,462 1.184,463 1.09,464 1.381,465 1.108,466 1.429,467 1.043,468 1.417,469 1.228,470 1.604,471 1.316,472 5.5,474 3.111,475 1.576,476 1.441,477 1.063,478 0.757,479 0.518,480 0.227,481 0.132,482 4828,483 11168,484 2.016,485 47.7,486 6,487 12,488 1,491 2,494 1.666,495 1.84,496 2.973,497 -0.815,499 1,501 1,502 62.511,503 1.421,504 3.313,505 4.112,506 4.419,507 4.618,508 4.618,509 2.455,510 3.969,511 4.492,512 3.124,513 790.369,514 7.785,515 8851.25,517 1,519 1,520 240.215,521 1.538,522 4.428,523 0.22,525 0.086,526 0.044,527 0.045,528 0.03,529 0.022,530 0.019,531 0.013,532 0.019,533 0.499,534 0.5,535 1,536 1.265,537 105.142,538 0.029,539 -0.269,540 0.066,541 -0.099,542 -0.06,543 -0.03,544 0.147,545 0.21,546 0.21,547 0.224,548 0.076,549 0.225,550 -0.13,551 -0.218,552 -0.183,553 -0.212,554 -0.075,555 -0.205,556 -0.064,557 0.102,558 -0.049,559 0.073,560 -0.169,561 0.019,562 0.218,563 0.018,564 0.243,565 0.096,566 0.196,567 0.16,568 -0.174,569 -0.061,570 -0.171,571 -0.13,572 0.01,573 -0.141,574 -0.18,575 -0.039,576 -0.197,577 -0.125,578 -0.069,579 -0.153,580 -0.292,581 -0.092,582 -0.442,583 -0.245,584 -0.267,585 -0.343,586 1.596,587 5.261,588 0.652,589 17.864,590 0.991,591 1.124,592 3.025,593 9.152,594 0.666,595 3.258,596 3.611,597 3.871,598 4.143,599 4.454,600 4.585,601 4.718,602 4.82,603 4.779,604 4.691,605 5.042,606 0.625,607 307.43,608 3.258,609 4.812,610 5.666,611 6.558,612 7.445,613 8.346,614 9.247,615 10.155,616 11.063,617 11.975,618 6.8,623 1,624 1,626 1,631 1,632 7,633 1,637 5,639 16,650 44,652 17,653 1,654 25,656 46,657 19,658 13,659 2,660 4,663 3,664 4,667 2,672 1,674 14,675 5,677 1,680 1,683 1,685 1,687 21,688 3,690 4,692 1,694 3,696 0.667,697 1,702 1,708 1,709 2,711 1,720 1,728 2,732 4,735 23,739 1,744 1,755 2.3,758 1,762 12.5,763 9.35,764 4.972,765 2.55,766 3.224,767 1.461,768 0.983,769 4.121,770 10.217,771 3.555,772 4.216,773 4.835,774 5.477,775 6.101,776 6.504,777 6.972,778 7.425,779 7.685,780 7.92,781 1,782 36,783 8.494,784 3.526,785 7.638,786 16.386,787 13.225,788 2.138,789 49.167,792 1,793 247.193,794 124.373,795 21.196,797 25.145,800 124.373,801 272.338,802 21.196,803 34.443,804 5.659,805 65.905,806 48.35,807 13.6,808 14.528,809 235.422,811 247.193,812 145.569,813 25.145,816 247.193,817 25.145,819 29.068,820 99.716,821 16.786,823 247.193,824 46.341,825 124.373,827 247.193,828 24.025,829 104.759,831 41.93,832 247.193,833 46.341,834 124.373,835 0.594,836 0.337,837 0.168,838 0.108,839 18,840 9,841 0.065,842 3,843 1,844 1.133,845 3.372,846 188.65,847 0.133,848 15,849 93.287,852 15.604,853 6.074,854 3.094,855 0.868,856 45.055,857 14.346,858 4.758,862 5.207,865 417.907,866 34,869 12.261,872 0.071,873 43.585,874 49.441,876 0.26,877 0.607,878 0.753,879 0.809,880 0.846,881 0.846,882 4.796,883 1.115,884 5.68,885 3.871,886 4.29,887 4.902,888 2.153,889 6.515,890 4.233,891 6.038,892 1,893 7.261,894 2.721,895 4.007,896 4.844,897 1.668,898 7.469,899 3.91,900 7.366,901 0.697,902 8.938,903 2.275,904 5.911,905 7.183,906 3.152,907 10.578,908 5.786,909 8.73,910 0.027,911 10.671,912 1.719,913 6.399,914 7.931,915 3.254,916 12.379,917 6.22,918 10.125,919 -0.297,920 12.441,921 0.065,922 7.828,923 9.785,924 4.386,925 15.04,926 7.62,927 11.543,928 -0.595,929 14.237,930 -0.678,931 8.67,932 10.929,933 4.764,934 17.213,935 8.401,936 12.98,937 -0.864,938 16.054,939 -1.58,940 9.921,941 12.584,942 5.704,943 19.724,944 9.617,945 3.268,946 -1,947 17.888,948 -2,949 10.935,950 13.929,951 6.226,952 22.057,953 10.569,954 2.668,955 11.514,956 19.736,957 -2.582,958 12.123,959 15.503,960 7.061,961 24.519,962 11.714,963 2.632,964 8.524,965 21.596,966 4.628,967 13.219,968 16.946,969 7.66,970 26.916,971 12.751,972 2.32,973 7.558,974 23.465,975 3.713,976 14.389,977 18.489,978 8.437,979 29.363,980 13.873,981 2.063,982 6.274,983 25.344,984 3.222,985 15.526,986 19.979,987 9.08,988 31.787,989 14.953,990 1.851,991 5.766,992 27.229,993 3.012,994 16.694,995 21.511,996 9.824,997 34.23,998 16.071,999 1.31,1000 5.643,1001 29.121,1002 2.784,1003 17.851,1004 23.022,1005 10.492,1006 36.665,1007 17.173,1008 4846,1009 7474,1010 16.126,1011 29.324,1012 38.44,1013 39.098,1014 39.82,1015 37.934,1016 37.902,1017 51.214,1018 5.501,1019 111.859,1020 36.845,1021 5.53,1022 5.734,1023 6.284,1024 5.264,1025 5.268,1026 7.628,1027 3.529,1028 18.863,1029 5.116,1030 13.354,1031 1.538,1032 1.564,1033 1.593,1034 1.517,1035 1.516,1036 2.049,1037 0.22,1038 4.474,1039 1.474,1040 4.157,1041 4.2,1042 4.129,1043 4.029,1044 7.427,1045 4.047,1046 3.876,1047 3.908,1048 3.808,1049 3.811,1050 5.04,1051 3.808,1052 3.676,1053 3.735,1054 3.587,1055 3.485,1056 4.702,1057 3.498,1058 3.459,1059 3.522,1060 3.353,1061 3.296,1062 4.307,1063 3.307,1064 3.161,1065 3.238,1066 2.98,1067 2.993,1068 4.215,1069 2.974,1070 3.135,1071 3.219,1072 2.951,1073 2.975,1074 3.855,1075 2.962,1076 2.913,1077 3.009,1078 2.764,1079 2.735,1080 3.814,1081 2.715,1082 2.874,1083 2.98,1084 2.687,1085 2.708,1086 3.674,1087 2.711,1088 0.187,1089 0.149,1090 0.275,1091 0.169,1092 0.131,1093 4.686,1094 0.185,1095 3.734,1096 0.081,1097 6.87,1098 0.461,1099 4.22,1100 0.125,1101 3.268,1102 4.628,1103 2.015,1104 11.514,1105 3.116,1106 1.948,1107 1.919,1108 2.053,1109 2.082,1110 1.206,1111 2.07,1112 1.916,1113 1.88,1114 2.025,1115 2.006,1116 1.132,1117 2.018,1118 1.631,1119 1.583,1120 1.833,1121 1.861,1122 0.96,1123 1.854,1124 1.412,1125 1.343,1126 1.648,1127 1.605,1128 0.781,1129 1.622,1130 1.251,1131 1.175,1132 1.544,1133 1.472,1134 0.627,1135 1.501,1136 1.146,1137 1.067,1138 1.48,1139 1.366,1140 0.564,1141 1.41,1142 0.934,1143 0.821,1144 1.417,1145 1.239,1146 0.469,1147 1.308,1148 0.886,1149 0.815,1150 1.181,1151 1.155,1152 0.229,1153 1.151,1154 3.932,1156 5.273,1157 2.398,1158 6.799,1159 4.844,1160 8.41,1161 7.05,1162 10.069,1164 7.667,1169 0.334,1174 1.619,1179 27.52,1180 62.511,1181 145.751,1182 180.931,1183 194.441,1184 203.195,1185 203.195,1186 34.291,1187 6.993,1188 37.61,1189 37.61,1190 17,1191 12.49,1192 4.17,1193 3.322,1194 36.426,1195 66,1196 77,1197 0.269,1198 171.805,1199 288.15,1200 410.963,1201 8613,1203 16.56,1204 0.72,1205 0.609,1206 16.56,1207 13.998,1208 10.952,1209 0.438,1210 0.308,1211 7.613,1212 10.621,1213 7.221,1214 6.111,1215 10.952,1216 7.703,1217 10.383,1218 0.288,1219 0.171,1220 10.383,1221 6.173,1222 8.433,1223 0.179,1224 0.085,1225 8.433,1226 4.008,1227 6.454,1228 0.104,1229 0.042,1230 6.454,1231 2.612,1232 5.808,1233 0.068,1234 0.023,1235 5.808,1236 1.959,1237 0.402,1238 67.981,1239 0.249,1240 21.987,1241 0.805,1242 122,1243 316.671,1244 130.82,1245 314.331,1246 436.24,1247 294,1248 144,1249 328.439,1250 154.014,1251 339.636,1252 493.1,1253 316,1254 4.824}