@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4270 @attribute molecule_id {CHEMBL104611,CHEMBL104863,CHEMBL114878,CHEMBL115263,CHEMBL1939876,CHEMBL1956115,CHEMBL204357,CHEMBL234034,CHEMBL252893,CHEMBL253275,CHEMBL271235,CHEMBL325163,CHEMBL402393,CHEMBL402436,CHEMBL403186,CHEMBL431680,CHEMBL447787,CHEMBL495502,CHEMBL496716,CHEMBL496717,CHEMBL497761,CHEMBL497762,CHEMBL497961,CHEMBL521881,CHEMBL538862,CHEMBL567893} @attribute AAC numeric @attribute AECC numeric @attribute ALOGP numeric @attribute ALOGP2 numeric @attribute AMR numeric @attribute AMW numeric @attribute ARR numeric @attribute ATS1e numeric @attribute ATS1i numeric @attribute ATS1m numeric @attribute ATS1p numeric @attribute ATS1s numeric @attribute ATS1v numeric @attribute ATS2e numeric @attribute ATS2i numeric @attribute ATS2m numeric @attribute ATS2p numeric @attribute ATS2s numeric @attribute ATS2v numeric @attribute ATS3e numeric @attribute ATS3i numeric @attribute ATS3m numeric @attribute ATS3p numeric @attribute ATS3s numeric @attribute ATS3v numeric @attribute ATS4e numeric @attribute ATS4i numeric @attribute ATS4m numeric @attribute ATS4p numeric @attribute ATS4s numeric @attribute ATS4v numeric @attribute ATS5e numeric @attribute ATS5i numeric @attribute ATS5m numeric @attribute ATS5p numeric @attribute ATS5s numeric @attribute ATS5v numeric @attribute ATS6e numeric @attribute ATS6i numeric @attribute ATS6m numeric @attribute ATS6p numeric @attribute ATS6s numeric @attribute ATS6v numeric @attribute ATS7e numeric @attribute ATS7i numeric @attribute ATS7m numeric @attribute ATS7p numeric @attribute ATS7s numeric @attribute ATS7v numeric @attribute ATS8e numeric @attribute ATS8i numeric @attribute ATS8m numeric @attribute ATS8p numeric @attribute ATS8s numeric @attribute ATS8v numeric @attribute ATSC1e numeric @attribute ATSC1i numeric @attribute ATSC1m numeric @attribute ATSC1p numeric @attribute ATSC1s numeric @attribute ATSC1v numeric @attribute ATSC2e numeric @attribute ATSC2i numeric @attribute ATSC2m numeric @attribute ATSC2p numeric @attribute ATSC2s numeric @attribute ATSC2v numeric @attribute ATSC3e numeric @attribute ATSC3i numeric @attribute ATSC3m numeric @attribute ATSC3p numeric @attribute ATSC3s numeric @attribute ATSC3v numeric @attribute ATSC4e numeric @attribute ATSC4i numeric @attribute ATSC4m numeric @attribute ATSC4p numeric @attribute ATSC4s numeric @attribute ATSC4v numeric @attribute ATSC5e numeric @attribute ATSC5i numeric @attribute ATSC5m numeric @attribute ATSC5p numeric @attribute ATSC5s numeric @attribute ATSC5v numeric @attribute ATSC6e numeric @attribute ATSC6i numeric @attribute ATSC6m numeric @attribute ATSC6p numeric @attribute ATSC6s numeric @attribute ATSC6v numeric @attribute ATSC7e numeric @attribute ATSC7i numeric @attribute ATSC7m numeric @attribute ATSC7p numeric @attribute ATSC7s numeric @attribute ATSC7v numeric @attribute ATSC8e numeric @attribute ATSC8i numeric @attribute ATSC8m numeric @attribute ATSC8p numeric @attribute ATSC8s numeric @attribute ATSC8v numeric @attribute BAC numeric @attribute BBI numeric @attribute BIC0 numeric @attribute BIC1 numeric @attribute BIC2 numeric @attribute BIC3 numeric @attribute BIC4 numeric @attribute BIC5 numeric @attribute BID numeric @attribute BLI numeric @attribute BLTA96 numeric @attribute BLTD48 numeric @attribute BLTF96 numeric @attribute C. numeric @attribute C.001 numeric @attribute C.002 numeric @attribute C.003 numeric @attribute C.005 numeric @attribute C.006 numeric @attribute C.008 numeric @attribute C.011 numeric @attribute C.013 numeric @attribute C.021 numeric @attribute C.022 numeric @attribute C.024 numeric @attribute C.025 numeric @attribute C.026 numeric @attribute C.027 numeric @attribute C.028 numeric @attribute C.029 numeric @attribute C.033 numeric @attribute C.034 numeric @attribute C.040 numeric @attribute C.041 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_AN numeric @attribute CATS2D_01_DD numeric @attribute CATS2D_01_DN numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_01_NL numeric @attribute CATS2D_02_AA numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_AP numeric @attribute CATS2D_02_DA numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_02_NL 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_DP numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_03_NL numeric @attribute CATS2D_04_AA numeric @attribute CATS2D_04_AL numeric @attribute CATS2D_04_DA numeric @attribute CATS2D_04_DD numeric @attribute CATS2D_04_DL numeric @attribute CATS2D_04_DP numeric @attribute CATS2D_04_LL numeric @attribute CATS2D_04_NL numeric @attribute CATS2D_05_AA numeric @attribute CATS2D_05_AL numeric @attribute CATS2D_05_AP numeric @attribute CATS2D_05_DA numeric @attribute CATS2D_05_DD numeric @attribute CATS2D_05_DL numeric @attribute CATS2D_05_DP numeric @attribute CATS2D_05_LL numeric @attribute CATS2D_06_AA numeric @attribute CATS2D_06_AL numeric @attribute CATS2D_06_AP numeric @attribute CATS2D_06_DA numeric @attribute CATS2D_06_DD numeric @attribute CATS2D_06_DL numeric @attribute CATS2D_06_DN numeric @attribute CATS2D_06_DP numeric @attribute CATS2D_06_LL numeric @attribute CATS2D_06_PL numeric @attribute CATS2D_07_AA numeric @attribute CATS2D_07_AL numeric @attribute CATS2D_07_DA numeric @attribute CATS2D_07_DD numeric @attribute CATS2D_07_DL numeric @attribute CATS2D_07_DP numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_07_PL numeric @attribute CATS2D_08_AA numeric @attribute CATS2D_08_AL numeric @attribute CATS2D_08_AN numeric @attribute CATS2D_08_AP numeric @attribute CATS2D_08_DA numeric @attribute CATS2D_08_DD numeric @attribute CATS2D_08_DL numeric @attribute CATS2D_08_DP 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_AP numeric @attribute CATS2D_09_DA numeric @attribute CATS2D_09_DD numeric @attribute CATS2D_09_DL numeric @attribute CATS2D_09_LL numeric @attribute CATS2D_09_NL numeric @attribute CATS2D_09_PL numeric @attribute CENT numeric @attribute Chi0_AEA.bo. numeric @attribute Chi0_AEA.dm. numeric @attribute Chi0_AEA.ed. numeric @attribute Chi0_AEA.ri. numeric @attribute Chi0_EA numeric @attribute Chi0_EA.bo. numeric @attribute Chi0_EA.dm. numeric @attribute Chi0_EA.ed. numeric @attribute Chi0_EA.ri. numeric @attribute Chi1_AEA.bo. numeric @attribute Chi1_AEA.dm. numeric @attribute Chi1_AEA.ed. numeric @attribute Chi1_AEA.ri. numeric @attribute Chi1_EA numeric @attribute Chi1_EA.bo. numeric @attribute Chi1_EA.dm. numeric @attribute Chi1_EA.ed. numeric @attribute Chi1_EA.ri. numeric @attribute CIC0 numeric @attribute CIC1 numeric @attribute CIC2 numeric @attribute CIC3 numeric @attribute CIC4 numeric @attribute CIC5 numeric @attribute CID numeric @attribute CMC.50 numeric @attribute CMC.80 numeric @attribute cRo5 numeric @attribute CSI numeric @attribute DBI numeric @attribute D.Dtr05 numeric @attribute D.Dtr06 numeric @attribute D.Dtr07 numeric @attribute D.Dtr09 numeric @attribute D.Dtr10 numeric @attribute DECC numeric @attribute DELS numeric @attribute Depressant.80 numeric @attribute DLS_01 numeric @attribute DLS_02 numeric @attribute DLS_03 numeric @attribute DLS_04 numeric @attribute DLS_05 numeric @attribute DLS_06 numeric @attribute DLS_07 numeric @attribute DLS_cons numeric @attribute Dz numeric @attribute ECC numeric @attribute Eig01_AEA.bo. numeric @attribute Eig01_AEA.dm. numeric @attribute Eig01_AEA.ed. numeric @attribute Eig01_AEA.ri. numeric @attribute Eig01_EA numeric @attribute Eig01_EA.bo. numeric @attribute Eig01_EA.dm. numeric @attribute Eig01_EA.ed. numeric @attribute Eig01_EA.ri. numeric @attribute Eig02_AEA.bo. numeric @attribute Eig02_AEA.dm. numeric @attribute Eig02_AEA.ed. numeric @attribute Eig02_AEA.ri. numeric @attribute Eig02_EA numeric @attribute Eig02_EA.bo. numeric @attribute Eig02_EA.dm. numeric @attribute Eig02_EA.ed. numeric @attribute Eig02_EA.ri. numeric @attribute Eig03_AEA.bo. numeric @attribute Eig03_AEA.dm. numeric @attribute Eig03_AEA.ed. numeric @attribute Eig03_AEA.ri. numeric @attribute Eig03_EA numeric @attribute Eig03_EA.bo. numeric @attribute Eig03_EA.dm. numeric @attribute Eig03_EA.ed. numeric @attribute Eig03_EA.ri. numeric @attribute Eig04_AEA.bo. numeric @attribute Eig04_AEA.dm. numeric @attribute Eig04_AEA.ed. numeric @attribute Eig04_AEA.ri. numeric @attribute Eig04_EA numeric @attribute Eig04_EA.bo. numeric @attribute Eig04_EA.dm. numeric @attribute Eig04_EA.ed. numeric @attribute Eig04_EA.ri. numeric @attribute Eig05_AEA.bo. numeric @attribute Eig05_AEA.dm. numeric @attribute Eig05_AEA.ed. numeric @attribute Eig05_AEA.ri. numeric @attribute Eig05_EA numeric @attribute Eig05_EA.bo. numeric @attribute Eig05_EA.dm. numeric @attribute Eig05_EA.ed. numeric @attribute Eig05_EA.ri. numeric @attribute Eig06_AEA.bo. numeric @attribute Eig06_AEA.dm. numeric @attribute Eig06_AEA.ed. numeric @attribute Eig06_AEA.ri. numeric @attribute Eig06_EA numeric @attribute Eig06_EA.bo. numeric @attribute Eig06_EA.dm. numeric @attribute Eig06_EA.ed. numeric @attribute Eig06_EA.ri. numeric @attribute Eig07_AEA.bo. numeric @attribute Eig07_AEA.dm. numeric @attribute Eig07_AEA.ed. numeric @attribute Eig07_AEA.ri. numeric @attribute Eig07_EA numeric @attribute Eig07_EA.bo. numeric @attribute Eig07_EA.dm. numeric @attribute Eig07_EA.ed. numeric @attribute Eig07_EA.ri. numeric @attribute Eig08_AEA.bo. numeric @attribute Eig08_AEA.dm. numeric @attribute Eig08_AEA.ed. numeric @attribute Eig08_AEA.ri. numeric @attribute Eig08_EA numeric @attribute Eig08_EA.bo. numeric @attribute Eig08_EA.dm. numeric @attribute Eig08_EA.ed. numeric @attribute Eig08_EA.ri. numeric @attribute Eig09_AEA.bo. numeric @attribute Eig09_AEA.dm. numeric @attribute Eig09_AEA.ed. numeric @attribute Eig09_AEA.ri. numeric @attribute Eig09_EA numeric @attribute Eig09_EA.bo. numeric @attribute Eig09_EA.dm. numeric @attribute Eig09_EA.ed. numeric @attribute Eig09_EA.ri. numeric @attribute Eig10_AEA.bo. numeric @attribute Eig10_AEA.dm. numeric @attribute Eig10_AEA.ed. numeric @attribute Eig10_AEA.ri. numeric @attribute Eig10_EA numeric @attribute Eig10_EA.bo. numeric @attribute Eig10_EA.dm. numeric @attribute Eig10_EA.ed. numeric @attribute Eig10_EA.ri. numeric @attribute Eig11_AEA.bo. numeric @attribute Eig11_AEA.dm. numeric @attribute Eig11_AEA.ed. numeric @attribute Eig11_AEA.ri. numeric @attribute Eig11_EA numeric @attribute Eig11_EA.bo. numeric @attribute Eig11_EA.dm. numeric @attribute Eig11_EA.ed. numeric @attribute Eig11_EA.ri. numeric @attribute Eig12_AEA.bo. numeric @attribute Eig12_AEA.dm. numeric @attribute Eig12_AEA.ed. numeric @attribute Eig12_AEA.ri. numeric @attribute Eig12_EA numeric @attribute Eig12_EA.bo. numeric @attribute Eig12_EA.dm. numeric @attribute Eig12_EA.ed. numeric @attribute Eig12_EA.ri. numeric @attribute Eig13_AEA.bo. numeric @attribute Eig13_AEA.dm. numeric @attribute Eig13_AEA.ed. numeric @attribute Eig13_AEA.ri. numeric @attribute Eig13_EA numeric @attribute Eig13_EA.bo. numeric @attribute Eig13_EA.dm. numeric @attribute Eig13_EA.ed. numeric @attribute Eig13_EA.ri. numeric @attribute Eig14_AEA.bo. numeric @attribute Eig14_AEA.dm. numeric @attribute Eig14_AEA.ed. numeric @attribute Eig14_AEA.ri. numeric @attribute Eig14_EA numeric @attribute Eig14_EA.bo. numeric @attribute Eig14_EA.dm. numeric @attribute Eig14_EA.ed. numeric @attribute Eig14_EA.ri. numeric @attribute Eig15_AEA.bo. numeric @attribute Eig15_AEA.dm. numeric @attribute Eig15_AEA.ed. numeric @attribute Eig15_AEA.ri. numeric @attribute Eig15_EA numeric @attribute Eig15_EA.bo. numeric @attribute Eig15_EA.dm. 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.083 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.80 numeric @attribute I.099 numeric @attribute IAC numeric @attribute IC0 numeric @attribute IC1 numeric @attribute IC2 numeric @attribute IC3 numeric @attribute IC4 numeric @attribute IC5 numeric @attribute ICR numeric @attribute IDDE numeric @attribute IDDM numeric @attribute IDE numeric @attribute IDET numeric @attribute IDM numeric @attribute IDMT numeric @attribute Infective.50 numeric @attribute Infective.80 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.067 numeric @attribute N.068 numeric @attribute N.072 numeric @attribute N.073 numeric @attribute N.075 numeric @attribute N.076 numeric @attribute NaaaC numeric @attribute NaaCH numeric @attribute NaaN numeric @attribute NaaNH numeric @attribute NaasC numeric @attribute NaasN numeric @attribute nAB numeric @attribute nArCONHR numeric @attribute nArCOOH numeric @attribute nArCOOR numeric @attribute nArNO2 numeric @attribute nArOR numeric @attribute nArX numeric @attribute nAT numeric @attribute nBM numeric @attribute nBnz numeric @attribute nBO numeric @attribute nBT numeric @attribute nC numeric @attribute nCar numeric @attribute nCb. numeric @attribute nCbH numeric @attribute nCconj numeric @attribute nCIC numeric @attribute nCIR numeric @attribute nCp numeric @attribute nCrs numeric @attribute nCrt numeric @attribute nCRX3 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 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 nI numeric @attribute nImidazoles numeric @attribute nN numeric @attribute NNRS numeric @attribute nO numeric @attribute nOHs numeric @attribute nPyrazoles numeric @attribute nPyridines numeric @attribute nPyrroles numeric @attribute nPyrrolidines numeric @attribute nR05 numeric @attribute nR06 numeric @attribute nR07 numeric @attribute nR09 numeric @attribute nR10 numeric @attribute nR.C. numeric @attribute nR.CH.X numeric @attribute nRCONH2 numeric @attribute nRCONHR numeric @attribute nRCONR2 numeric @attribute nRCOOR numeric @attribute nRNHO numeric @attribute nRNHR numeric @attribute nRNR2 numeric @attribute nROCON numeric @attribute nROH numeric @attribute nROR numeric @attribute NRS numeric @attribute nRSR numeric @attribute nS numeric @attribute NsCH3 numeric @attribute NsF numeric @attribute NsI numeric @attribute nSK numeric @attribute NsNH2 numeric @attribute nS..O.2 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 nTB numeric @attribute NtCH 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 Psychotic.80 numeric @attribute P_VSA_e_1 numeric @attribute P_VSA_e_2 numeric @attribute P_VSA_e_3 numeric @attribute P_VSA_e_5 numeric @attribute P_VSA_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_p_4 numeric @attribute P_VSA_s_1 numeric @attribute P_VSA_s_2 numeric @attribute P_VSA_s_3 numeric @attribute P_VSA_s_4 numeric @attribute P_VSA_s_5 numeric @attribute P_VSA_s_6 numeric @attribute P_VSA_v_1 numeric @attribute P_VSA_v_2 numeric @attribute P_VSA_v_3 numeric @attribute P_VSA_v_4 numeric @attribute PW2 numeric @attribute PW3 numeric @attribute PW4 numeric @attribute PW5 numeric @attribute Qindex numeric @attribute Ram numeric @attribute RBF numeric @attribute RBN numeric @attribute Rbrid numeric @attribute RCI numeric @attribute RDCHI numeric @attribute RDSQ numeric @attribute RFD numeric @attribute Rperim numeric @attribute S0K numeric @attribute S.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 SaasC numeric @attribute SaasN numeric @attribute SAdon numeric @attribute SAtot numeric @attribute SCBO numeric @attribute SddsN numeric @attribute SddssS numeric @attribute SdO numeric @attribute SdssC numeric @attribute Se numeric @attribute Si numeric @attribute SIC0 numeric @attribute SIC1 numeric @attribute SIC2 numeric @attribute SIC3 numeric @attribute SIC4 numeric @attribute SIC5 numeric @attribute SM02_AEA.bo. numeric @attribute SM02_AEA.dm. numeric @attribute SM02_AEA.ed. numeric @attribute SM02_AEA.ri. numeric @attribute SM02_EA numeric @attribute SM02_EA.bo. numeric @attribute SM02_EA.dm. numeric @attribute SM02_EA.ed. numeric @attribute SM02_EA.ri. numeric @attribute SM03_AEA.bo. numeric @attribute SM03_AEA.dm. numeric @attribute SM03_AEA.ed. numeric @attribute SM03_AEA.ri. numeric @attribute SM03_EA numeric @attribute SM03_EA.bo. numeric @attribute SM03_EA.dm. numeric @attribute SM03_EA.ed. numeric @attribute SM03_EA.ri. numeric @attribute SM04_AEA.bo. numeric @attribute SM04_AEA.dm. numeric @attribute SM04_AEA.ed. numeric @attribute SM04_AEA.ri. numeric @attribute SM04_EA numeric @attribute SM04_EA.bo. numeric @attribute SM04_EA.dm. numeric @attribute SM04_EA.ed. numeric @attribute SM04_EA.ri. numeric @attribute SM05_AEA.bo. numeric @attribute SM05_AEA.dm. numeric @attribute SM05_AEA.ed. numeric @attribute SM05_AEA.ri. numeric @attribute SM05_EA numeric @attribute SM05_EA.bo. numeric @attribute SM05_EA.dm. numeric @attribute SM05_EA.ed. numeric @attribute SM05_EA.ri. numeric @attribute SM06_AEA.bo. numeric @attribute SM06_AEA.dm. numeric @attribute SM06_AEA.ed. numeric @attribute SM06_AEA.ri. numeric @attribute SM06_EA numeric @attribute SM06_EA.bo. numeric @attribute SM06_EA.dm. numeric @attribute SM06_EA.ed. numeric @attribute SM06_EA.ri. numeric @attribute SM07_AEA.bo. numeric @attribute SM07_AEA.dm. numeric @attribute SM07_AEA.ed. numeric @attribute SM07_AEA.ri. numeric @attribute SM07_EA numeric @attribute SM07_EA.bo. numeric @attribute SM07_EA.dm. numeric @attribute SM07_EA.ed. numeric @attribute SM07_EA.ri. numeric @attribute SM08_AEA.bo. numeric @attribute SM08_AEA.dm. numeric @attribute SM08_AEA.ed. numeric @attribute SM08_AEA.ri. numeric @attribute SM08_EA numeric @attribute SM08_EA.bo. numeric @attribute SM08_EA.dm. numeric @attribute SM08_EA.ed. numeric @attribute SM08_EA.ri. numeric @attribute SM09_AEA.bo. numeric @attribute SM09_AEA.dm. numeric @attribute SM09_AEA.ed. numeric @attribute SM09_AEA.ri. numeric @attribute SM09_EA numeric @attribute SM09_EA.bo. numeric @attribute SM09_EA.dm. numeric @attribute SM09_EA.ed. numeric @attribute SM09_EA.ri. numeric @attribute SM10_AEA.bo. numeric @attribute SM10_AEA.dm. numeric @attribute SM10_AEA.ed. numeric @attribute SM10_AEA.ri. numeric @attribute SM10_EA numeric @attribute SM10_EA.bo. numeric @attribute SM10_EA.dm. numeric @attribute SM10_EA.ed. numeric @attribute SM10_EA.ri. numeric @attribute SM11_AEA.bo. numeric @attribute SM11_AEA.dm. numeric @attribute SM11_AEA.ed. numeric @attribute SM11_AEA.ri. numeric @attribute SM11_EA numeric @attribute SM11_EA.bo. numeric @attribute SM11_EA.dm. numeric @attribute SM11_EA.ed. numeric @attribute SM11_EA.ri. numeric @attribute SM12_AEA.bo. numeric @attribute SM12_AEA.dm. numeric @attribute SM12_AEA.ed. numeric @attribute SM12_AEA.ri. numeric @attribute SM12_EA numeric @attribute SM12_EA.bo. numeric @attribute SM12_EA.dm. numeric @attribute SM12_EA.ed. numeric @attribute SM12_EA.ri. numeric @attribute SM13_AEA.bo. numeric @attribute SM13_AEA.dm. numeric @attribute SM13_AEA.ed. numeric @attribute SM13_AEA.ri. numeric @attribute SM13_EA numeric @attribute SM13_EA.bo. numeric @attribute SM13_EA.dm. numeric @attribute SM13_EA.ed. numeric @attribute SM13_EA.ri. numeric @attribute SM14_AEA.bo. numeric @attribute SM14_AEA.dm. numeric @attribute SM14_AEA.ed. numeric @attribute SM14_AEA.ri. numeric @attribute SM14_EA numeric @attribute SM14_EA.bo. numeric @attribute SM14_EA.dm. numeric @attribute SM14_EA.ed. numeric @attribute SM14_EA.ri. numeric @attribute SM15_AEA.bo. numeric @attribute SM15_AEA.dm. numeric @attribute SM15_AEA.ed. numeric @attribute SM15_AEA.ri. numeric @attribute SM15_EA numeric @attribute SM15_EA.bo. numeric @attribute SM15_EA.dm. numeric @attribute SM15_EA.ed. numeric @attribute SM15_EA.ri. numeric @attribute SMTI numeric @attribute SMTIV numeric @attribute SNar numeric @attribute Sp numeric @attribute SpAD_AEA.bo. numeric @attribute SpAD_AEA.dm. numeric @attribute SpAD_AEA.ed. numeric @attribute SpAD_AEA.ri. numeric @attribute SpAD_EA numeric @attribute SpAD_EA.bo. numeric @attribute SpAD_EA.dm. numeric @attribute SpAD_EA.ed. numeric @attribute SpAD_EA.ri. numeric @attribute SpDiam_AEA.bo. numeric @attribute SpDiam_AEA.dm. numeric @attribute SpDiam_AEA.ed. numeric @attribute SpDiam_AEA.ri. numeric @attribute SpDiam_EA numeric @attribute SpDiam_EA.bo. numeric @attribute SpDiam_EA.dm. numeric @attribute SpDiam_EA.ed. numeric @attribute SpDiam_EA.ri. numeric @attribute SPI numeric @attribute SpMAD_AEA.bo. numeric @attribute SpMAD_AEA.dm. numeric @attribute SpMAD_AEA.ed. numeric @attribute SpMAD_AEA.ri. numeric @attribute SpMAD_EA numeric @attribute SpMAD_EA.bo. numeric @attribute SpMAD_EA.dm. numeric @attribute SpMAD_EA.ed. numeric @attribute SpMAD_EA.ri. numeric @attribute SpMax1_Bh.e. numeric @attribute SpMax1_Bh.i. numeric @attribute SpMax1_Bh.m. numeric @attribute SpMax1_Bh.p. numeric @attribute SpMax1_Bh.s. numeric @attribute SpMax1_Bh.v. numeric @attribute SpMax2_Bh.e. numeric @attribute SpMax2_Bh.i. numeric @attribute SpMax2_Bh.m. numeric @attribute SpMax2_Bh.p. numeric @attribute SpMax2_Bh.s. numeric @attribute SpMax2_Bh.v. numeric @attribute SpMax3_Bh.e. numeric @attribute SpMax3_Bh.i. numeric @attribute SpMax3_Bh.m. numeric @attribute SpMax3_Bh.p. numeric @attribute SpMax3_Bh.s. numeric @attribute SpMax3_Bh.v. numeric @attribute SpMax4_Bh.e. numeric @attribute SpMax4_Bh.i. numeric @attribute SpMax4_Bh.m. numeric @attribute SpMax4_Bh.p. numeric @attribute SpMax4_Bh.s. numeric @attribute SpMax4_Bh.v. numeric @attribute SpMax5_Bh.e. numeric @attribute SpMax5_Bh.i. numeric @attribute SpMax5_Bh.m. numeric @attribute SpMax5_Bh.p. numeric @attribute SpMax5_Bh.s. numeric @attribute SpMax5_Bh.v. numeric @attribute SpMax6_Bh.e. numeric @attribute SpMax6_Bh.i. numeric @attribute SpMax6_Bh.m. numeric @attribute SpMax6_Bh.p. numeric @attribute SpMax6_Bh.s. numeric @attribute SpMax6_Bh.v. numeric @attribute SpMax7_Bh.e. numeric @attribute SpMax7_Bh.i. numeric @attribute SpMax7_Bh.m. numeric @attribute SpMax7_Bh.p. numeric @attribute SpMax7_Bh.s. numeric @attribute SpMax7_Bh.v. numeric @attribute SpMax8_Bh.e. numeric @attribute SpMax8_Bh.i. numeric @attribute SpMax8_Bh.m. numeric @attribute SpMax8_Bh.p. numeric @attribute SpMax8_Bh.s. numeric @attribute SpMax8_Bh.v. numeric @attribute SpMaxA_AEA.bo. numeric @attribute SpMaxA_AEA.dm. numeric @attribute SpMaxA_AEA.ed. numeric @attribute SpMaxA_AEA.ri. numeric @attribute SpMaxA_EA numeric @attribute SpMax_AEA.bo. numeric @attribute SpMaxA_EA.bo. numeric @attribute SpMax_AEA.dm. numeric @attribute SpMaxA_EA.dm. numeric @attribute SpMax_AEA.ed. numeric @attribute SpMaxA_EA.ed. numeric @attribute SpMax_AEA.ri. numeric @attribute SpMaxA_EA.ri. numeric @attribute SpMax_EA numeric @attribute SpMax_EA.bo. numeric @attribute SpMax_EA.dm. numeric @attribute SpMax_EA.ed. numeric @attribute SpMax_EA.ri. numeric @attribute SpMin1_Bh.e. numeric @attribute SpMin1_Bh.i. numeric @attribute SpMin1_Bh.m. numeric @attribute SpMin1_Bh.p. numeric @attribute SpMin1_Bh.s. numeric @attribute SpMin1_Bh.v. numeric @attribute SpMin2_Bh.e. numeric @attribute SpMin2_Bh.i. numeric @attribute SpMin2_Bh.m. numeric @attribute SpMin2_Bh.p. numeric @attribute SpMin2_Bh.s. numeric @attribute SpMin2_Bh.v. numeric @attribute SpMin3_Bh.e. numeric @attribute SpMin3_Bh.i. numeric @attribute SpMin3_Bh.m. numeric @attribute SpMin3_Bh.p. numeric @attribute SpMin3_Bh.s. numeric @attribute SpMin3_Bh.v. numeric @attribute SpMin4_Bh.e. numeric @attribute SpMin4_Bh.i. numeric @attribute SpMin4_Bh.m. numeric @attribute SpMin4_Bh.p. numeric @attribute SpMin4_Bh.s. numeric @attribute SpMin4_Bh.v. numeric @attribute SpMin5_Bh.e. numeric @attribute SpMin5_Bh.i. numeric @attribute SpMin5_Bh.m. numeric @attribute SpMin5_Bh.p. numeric @attribute SpMin5_Bh.s. numeric @attribute SpMin5_Bh.v. numeric @attribute SpMin6_Bh.e. numeric @attribute SpMin6_Bh.i. numeric @attribute SpMin6_Bh.m. numeric @attribute SpMin6_Bh.p. numeric @attribute SpMin6_Bh.s. numeric @attribute SpMin6_Bh.v. numeric @attribute SpMin7_Bh.e. numeric @attribute SpMin7_Bh.i. numeric @attribute SpMin7_Bh.m. numeric @attribute SpMin7_Bh.p. numeric @attribute SpMin7_Bh.s. numeric @attribute SpMin7_Bh.v. numeric @attribute SpMin8_Bh.e. numeric @attribute SpMin8_Bh.i. numeric @attribute SpMin8_Bh.m. numeric @attribute SpMin8_Bh.p. numeric @attribute SpMin8_Bh.s. numeric @attribute SpMin8_Bh.v. numeric @attribute SRW02 numeric @attribute SRW04 numeric @attribute SRW05 numeric @attribute SRW06 numeric @attribute SRW07 numeric @attribute SRW08 numeric @attribute SRW09 numeric @attribute SRW10 numeric @attribute SsCH3 numeric @attribute SsF numeric @attribute SsI 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 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 1.779,2 7.75,3 2.514,4 6.318,5 76.806,6 9.011,7 0.545,8 3.608,9 3.684,10 3.405,11 3.179,12 4.818,13 3.172,14 4.092,15 4.214,16 3.786,17 3.544,18 5.264,19 3.52,20 4.163,21 4.27,22 3.9,23 3.627,24 5.411,25 3.595,26 4.225,27 4.344,28 3.806,29 3.612,30 5.491,31 3.549,32 4.249,33 4.421,34 3.6,35 3.523,36 5.471,37 3.447,38 4.133,39 4.292,40 3.38,41 3.35,42 5.306,43 3.288,44 3.974,45 4.156,46 3.132,47 3.168,48 5.161,49 3.086,50 3.842,51 4.097,52 2.628,53 2.95,54 4.779,55 2.773,56 0.078,57 0.46,58 5.103,59 2.87,60 4.369,61 2.983,62 0.324,63 0.726,64 11.861,65 4.923,66 18.819,67 4.778,68 0.294,69 0.79,70 11.904,71 5.505,72 15.013,73 5.197,74 0.396,75 0.832,76 15.933,77 6.32,78 25.76,79 5.879,80 0.433,81 0.809,82 17.665,83 6.533,84 33.755,85 6.857,86 0.412,87 0.69,88 16.366,89 5.754,90 34.149,91 5.554,92 0.345,93 0.595,94 10.416,95 4.289,96 32.849,97 4.747,98 0.262,99 0.526,100 14.783,101 4.822,102 20.258,103 5.813,104 14,105 31,106 0.332,107 0.65,108 0.752,109 0.831,110 0.843,111 0.878,112 3.059,113 0.915,114 -2.32,115 -2.35,116 -2.32,117 43.8,121 2,128 5,129 1,130 3,131 1,133 1,136 1,147 3,149 1,150 8,154 2,157 2,158 7,163 1,165 2,166 4,171 1,173 2,174 4,180 3,181 1,182 3,189 3,191 1,192 2,197 2,199 1,200 1,210 1,219 454,220 13.809,221 13.809,222 13.809,223 13.809,224 13.809,225 12.291,226 16.059,227 8.006,228 14.36,229 10.715,230 10.715,231 10.715,232 10.715,233 10.715,234 8.266,235 20.382,236 3.605,237 11.409,238 3.221,239 1.52,240 0.972,241 0.547,242 0.485,243 0.297,244 3.737,245 1,246 1,247 1,248 332,249 2.345,250 36.864,251 108.291,253 73.466,255 1.175,256 20.216,257 1,258 1,259 1,260 1,261 0.4,263 1,264 1,265 0.77,266 44,267 155,268 4.531,269 4.173,270 6.863,271 4.22,272 3.261,273 4.088,274 1.058,275 11.398,276 3.12,277 4.221,278 3.461,279 6.292,280 3.798,281 2.84,282 3.863,283 0.86,284 9.433,285 2.718,286 3.639,287 3.125,288 5.495,289 3.257,290 2.322,291 2.97,292 0.86,293 7.055,294 2.167,295 3.352,296 2.669,297 5.147,298 2.919,299 1.982,300 2.597,302 5.903,303 1.844,304 3.004,305 2.209,306 4.821,307 2.639,308 1.707,309 2.142,311 5.012,312 1.565,313 2.88,314 1.875,315 4.175,316 2.412,317 1.455,318 2.036,320 3.52,321 1.377,322 2.62,323 1.319,324 3.609,325 2.164,326 1.187,327 1.646,329 2.838,330 1.155,331 2.182,332 1.282,333 3.391,334 1.735,335 0.747,336 1.012,338 1.763,339 0.726,340 1.65,341 0.947,342 2.982,343 1.359,344 0.472,345 0.537,347 0.827,348 0.413,349 1.592,350 0.919,351 2.776,352 1.32,353 0.462,354 0.512,356 0.673,357 0.394,358 1.092,359 0.671,360 2.49,361 0.653,362 -0.274,363 -0.337,365 -0.547,366 -0.246,367 0.766,368 -0.087,369 2.187,370 0.353,371 -0.623,372 -0.834,374 -1.378,375 -0.594,376 0.61,377 -0.465,378 2.162,379 0.137,380 -0.825,381 -1.08,383 -2.041,384 -0.779,385 0.574,386 -0.622,387 2,388 0.115,389 -0.845,390 -1.138,392 -2.118,393 -0.802,394 0.195,395 -0.977,396 1.723,397 -0.201,398 -1.159,399 -1.511,401 -3.19,402 -1.096,403 9.633,404 0.482,405 0.431,406 0.022,407 28.75,408 1.438,409 15.5,410 0.775,411 13.25,412 0.663,413 12.838,414 0.642,415 20.967,416 0.655,417 19.145,418 0.957,419 5.849,420 0.292,421 3.892,422 0.195,423 0.138,425 0.353,428 0.779,429 1.34,430 0.64,431 1.037,432 0.595,433 0.887,434 1.197,435 0.932,436 0.78,437 0.709,438 0.791,439 0.631,440 1.035,441 1.036,442 0.841,443 0.954,444 0.996,445 0.839,446 1,447 1.199,448 1.288,449 1.29,450 1.07,451 1.117,452 0.956,453 0.929,454 1.124,455 1.055,456 1.127,457 0.992,458 1.387,459 1.027,460 1.272,461 1.144,462 1.438,463 1.106,464 1.067,465 0.997,466 0.932,467 0.925,468 1.239,469 1.183,470 0.659,471 0.856,472 1.209,473 1.111,474 0.543,475 1.116,476 3.5,477 0.02,478 2.444,479 1.951,480 1.281,481 0.889,482 0.283,483 0.219,484 0.121,485 0.025,486 3421,487 11014,488 2.077,489 37.5,491 11,493 1,498 1.623,499 1.935,500 2.961,501 -0.689,503 1,504 1,506 56.923,507 1.779,508 3.48,509 4.028,510 4.453,511 4.515,512 4.703,513 2.448,514 4.122,515 4.293,516 3.05,517 579.571,518 7.359,519 5717.9,520 1,521 1,522 1,523 160,524 1.441,525 4.248,526 0.159,527 0.01,528 0.079,529 0.059,530 0.044,531 0.036,532 0.014,533 0.015,534 0.013,535 0.006,536 0.435,537 0.67,538 1,539 0.959,540 86.652,541 -0.029,542 -0.306,543 0.093,544 -0.139,545 -0.057,546 -0.049,547 -0.14,548 0.102,549 0.155,550 0.263,551 -0.068,552 0.256,553 -0.034,554 0.02,555 0.12,556 0.045,557 -0.027,558 0.034,559 0.026,560 -0.143,561 -0.163,562 -0.195,563 0.014,564 -0.205,565 0.052,566 0.046,567 -0.076,568 -0.039,569 0.093,570 -0.01,571 -0.196,572 -0.093,573 -0.253,574 -0.149,575 -0.191,576 -0.148,577 -0.042,578 -0.065,579 -0.158,580 -0.108,581 -0.092,582 -0.249,583 0.08,584 0.052,585 -0.088,586 -0.076,587 0.088,588 0.014,589 1.762,590 5.398,591 0.75,592 13.07,593 1.021,594 1.113,595 1.089,596 1.185,597 0.713,598 3.135,599 3.466,600 3.807,601 4.094,602 4.317,603 4.382,604 4.489,605 4.522,606 4.454,607 4.394,608 4.638,609 0.688,610 288.35,611 3.135,612 4.673,613 5.549,614 6.444,615 7.341,616 8.246,617 9.15,618 10.058,619 10.965,620 11.875,621 6.3,624 1,626 1,629 6,630 1,632 5,634 12,639 2,641 32,642 13,643 1,644 22,645 34,646 14,647 11,648 3,649 3,650 1,651 3,652 4,659 12,660 2,662 1,665 1,666 1,667 1,668 1,670 12,671 5,673 6,674 1,677 2,678 0.667,679 3,682 1,685 1,686 2,688 1,702 2,704 1,705 2,708 20,711 1,715 2,716 1,718 1,724 9.4,727 1,729 2,731 10.333,732 6.567,733 4.556,734 1.688,735 2.434,736 1.36,737 0.976,738 3.549,739 9.193,740 3.401,741 3.989,742 4.595,743 5.143,744 5.656,745 5.818,746 6.147,747 6.419,748 6.672,749 6.936,750 1,751 33,752 7.352,753 3.098,754 7.842,755 13.774,756 10.961,757 2.342,758 46.833,760 141.253,761 132.432,762 18.304,763 47.145,765 31.981,766 100.451,767 188.398,768 18.304,769 21.766,770 1.519,771 47.381,772 58.406,773 47.476,774 1.122,775 161.463,777 141.253,778 118.755,779 47.145,780 31.981,782 141.253,783 47.145,785 10.566,786 91.403,787 16.786,788 31.981,789 141.253,790 65.449,791 132.432,794 141.253,795 54.237,796 79.713,798 63.93,799 141.253,800 65.449,801 132.432,803 0.574,804 0.364,805 0.205,806 0.114,807 16,808 7,809 0.088,810 3,811 1,812 1.133,813 3.16,814 155.905,815 0.133,816 15,817 86.439,818 1,820 13.277,821 5.346,822 2.267,824 65.449,825 10.545,826 4.21,828 3.253,831 339.134,832 29,835 12.398,836 -0.096,837 32.68,838 35.621,839 0.356,840 0.696,841 0.806,842 0.891,843 0.903,844 0.941,845 4.635,846 0.747,847 5.541,848 2.838,849 4.143,850 4.673,851 1.824,852 6.402,853 4.033,854 5.839,855 0.472,856 7.132,857 1.763,858 3.761,859 4.46,861 7.409,862 3.614,863 7.154,864 0.462,865 8.825,866 0.827,867 5.778,868 6.852,869 1.74,870 10.546,871 5.575,872 8.508,873 -0.274,874 10.579,875 0.673,876 6.256,877 7.455,879 12.39,880 6.014,881 9.895,882 -0.623,883 12.372,884 -0.547,885 7.731,886 9.317,887 1.692,888 15.052,889 7.447,890 11.306,891 -0.825,892 14.191,893 -1.378,894 8.595,895 10.299,897 17.23,898 8.269,899 12.735,900 -0.845,901 16.029,902 -2.041,903 9.867,904 11.931,905 1.676,906 19.735,907 9.502,908 3.261,909 -1.159,910 17.882,911 -2.118,912 10.903,913 13.104,915 22.052,916 10.493,917 2.84,918 11.398,919 19.746,920 -3.19,921 12.101,922 14.623,923 1.688,924 24.502,925 11.652,926 2.322,927 9.433,928 21.62,929 4.088,930 13.211,931 15.896,933 26.878,934 12.717,935 1.982,936 7.055,937 23.5,938 3.863,939 14.385,940 17.357,941 1.723,942 29.311,943 13.851,944 1.707,945 5.903,946 25.387,947 2.97,948 15.528,949 18.683,951 31.714,952 14.949,953 1.455,954 5.012,955 27.279,956 2.597,957 16.697,958 20.113,959 1.776,960 34.141,961 16.075,962 1.187,963 3.52,964 29.175,965 2.142,966 17.855,967 21.469,969 36.557,970 17.188,971 3399,972 6220,973 14.622,974 22.83,975 32.98,976 35.712,977 34.824,978 32.825,979 32.873,980 42.803,981 5.557,982 96.847,983 30.959,984 5.384,985 6.173,986 6.544,987 5.283,988 5.261,989 7.088,990 2.117,991 18.939,992 5.12,993 9.256,994 1.499,995 1.623,996 1.583,997 1.492,998 1.494,999 1.946,1000 0.253,1001 4.402,1002 1.407,1003 3.994,1004 4.012,1005 4.132,1006 3.91,1007 7.428,1008 3.905,1009 3.84,1010 3.86,1011 3.816,1012 3.756,1013 4.929,1014 3.757,1015 3.346,1016 3.384,1017 3.395,1018 3.162,1019 4.836,1020 3.158,1021 3.267,1022 3.319,1023 3.131,1024 2.987,1025 4.577,1026 3.002,1027 3.154,1028 3.222,1029 3.009,1030 2.907,1031 4.224,1032 2.902,1033 2.788,1034 2.856,1035 2.956,1036 2.65,1037 3.809,1038 2.627,1039 2.766,1040 2.824,1041 2.592,1042 2.64,1043 3.781,1044 2.605,1045 2.657,1046 2.708,1047 2.519,1048 2.54,1049 3.525,1050 2.525,1051 0.206,1052 0.19,1053 0.312,1054 0.192,1055 0.148,1056 4.531,1057 0.186,1058 4.173,1059 0.048,1060 6.863,1061 0.518,1062 4.22,1063 0.142,1064 3.261,1065 4.088,1066 1.058,1067 11.398,1068 3.12,1069 1.874,1070 1.858,1071 1.957,1072 1.993,1073 1.072,1074 1.981,1075 1.803,1076 1.778,1077 1.889,1078 1.914,1079 0.954,1080 1.913,1081 1.246,1082 1.203,1083 1.589,1084 1.564,1085 0.585,1086 1.567,1087 1.184,1088 1.121,1089 1.547,1090 1.488,1091 0.563,1092 1.503,1093 1.093,1094 1.034,1095 1.202,1096 1.354,1097 0.259,1098 1.324,1099 0.858,1100 0.839,1101 1.098,1102 0.996,1103 0.174,1104 1.036,1105 0.803,1106 0.736,1107 0.908,1108 0.931,1109 0.146,1110 0.973,1111 0.63,1112 0.569,1113 0.839,1114 0.867,1116 0.877,1117 3.807,1118 5.13,1119 2.398,1120 6.671,1121 4.844,1122 8.306,1123 7.034,1124 9.99,1125 3.152,1132 10.5,1133 1.292,1135 1.579,1139 22.008,1140 56.923,1141 111.371,1142 128.881,1143 142.49,1144 144.49,1145 150.49,1146 28.099,1147 6.759,1148 53.35,1149 81.59,1150 17,1151 12.391,1152 3.807,1153 3,1154 29.794,1155 55,1156 60,1157 0.277,1158 139.1,1159 240.28,1160 331.163,1161 6518,1163 14.113,1164 0.706,1165 0.59,1166 14.466,1167 11.808,1168 9.741,1169 0.443,1170 0.305,1171 5.87,1172 8.794,1173 5.623,1174 4.696,1175 10.149,1176 6.711,1177 8.387,1178 0.271,1179 0.162,1180 9.002,1181 5.019,1182 7.695,1183 0.175,1184 0.091,1185 8.573,1186 4.013,1187 6.456,1188 0.109,1189 0.05,1190 7.453,1191 2.94,1192 5.267,1193 0.071,1194 0.027,1195 6.16,1196 1.976,1197 0.414,1198 66.326,1199 0.262,1200 19.441,1201 0.823,1202 106,1203 371.357,1204 144.619,1205 368.161,1206 503.23,1207 346,1208 128,1209 352.624,1210 168.107,1211 373.444,1212 549.45,1213 348,1214 4.208} {0 CHEMBL104863,1 1.779,2 7.15,3 2.514,4 6.318,5 76.806,6 9.011,7 0.545,8 3.608,9 3.684,10 3.405,11 3.179,12 4.818,13 3.172,14 4.092,15 4.214,16 3.786,17 3.544,18 5.264,19 3.52,20 4.163,21 4.27,22 3.9,23 3.627,24 5.413,25 3.595,26 4.224,27 4.344,28 3.802,29 3.613,30 5.471,31 3.55,32 4.253,33 4.422,34 3.688,35 3.531,36 5.482,37 3.465,38 4.142,39 4.307,40 3.486,41 3.406,42 5.386,43 3.342,44 4.039,45 4.183,46 3.132,47 3.224,48 5.243,49 3.155,50 3.849,51 4.062,52 2.56,53 2.949,54 4.889,55 2.812,56 0.078,57 0.46,58 5.103,59 2.87,60 4.369,61 2.983,62 0.324,63 0.726,64 11.861,65 4.923,66 18.819,67 4.778,68 0.294,69 0.79,70 11.904,71 5.505,72 14.997,73 5.197,74 0.358,75 0.832,76 15.947,77 6.333,78 24.542,79 5.862,80 0.48,81 0.818,82 17.448,83 6.403,84 34.791,85 6.69,86 0.389,87 0.726,88 16.794,89 5.982,90 33.05,91 6.197,92 0.41,93 0.61,94 13.742,95 5.037,96 35.769,97 4.579,98 0.268,99 0.511,100 9.465,101 3.839,102 27.343,103 4.435,104 14,105 31,106 0.332,107 0.65,108 0.74,109 0.819,110 0.843,111 0.878,112 3.06,113 0.915,114 -2.32,115 -2.35,116 -2.32,117 43.8,121 2,128 5,129 1,130 3,131 1,133 1,136 1,147 3,149 1,150 8,154 2,157 2,158 7,163 1,165 2,166 4,171 1,173 2,174 3,180 2,181 2,182 4,189 3,191 1,192 3,197 2,200 1,207 1,219 462,220 13.809,221 13.809,222 13.809,223 13.809,224 13.809,225 12.291,226 16.059,227 8.008,228 14.36,229 10.715,230 10.715,231 10.715,232 10.715,233 10.715,234 8.266,235 20.924,236 3.61,237 11.41,238 3.221,239 1.52,240 1.035,241 0.61,242 0.485,243 0.297,244 3.737,245 1,246 1,247 1,248 305,249 2.345,250 35.362,251 106.734,253 70.88,255 0.98,256 20.349,257 1,258 1,259 1,260 1,261 0.4,263 1,264 1,265 0.77,266 44,267 143,268 4.534,269 4.173,270 6.866,271 4.222,272 3.264,273 4.091,274 1.058,275 11.413,276 3.122,277 4.219,278 3.462,279 6.295,280 3.796,281 2.837,282 3.861,283 0.86,284 9.445,285 2.718,286 3.599,287 3.116,288 5.425,289 3.212,290 2.282,291 2.922,292 0.86,293 6.748,294 2.119,295 3.406,296 2.684,297 5.207,298 2.99,299 2.054,300 2.664,302 6.224,303 1.91,304 3.032,305 2.214,306 4.855,307 2.661,308 1.72,309 2.172,311 5.088,312 1.593,313 2.873,314 1.857,315 4.144,316 2.395,317 1.434,318 2.03,320 3.379,321 1.365,322 2.567,323 1.319,324 3.605,325 2.075,326 1.086,327 1.558,329 2.763,330 1.07,331 2.126,332 1.275,333 3.374,334 1.71,335 0.777,336 0.97,338 1.706,339 0.708,340 1.857,341 0.968,342 3.041,343 1.577,344 0.658,345 0.778,347 1.25,348 0.601,349 1.451,350 0.908,351 2.734,352 1.183,353 0.329,354 0.361,356 0.446,357 0.278,358 1.097,359 0.664,360 2.478,361 0.639,362 -0.301,363 -0.38,365 -0.629,366 -0.274,367 0.752,368 -0.019,369 2.232,370 0.358,371 -0.584,372 -0.739,374 -1.171,375 -0.535,376 0.636,377 -0.516,378 2.138,379 0.181,380 -0.794,381 -1.072,383 -1.995,384 -0.771,385 0.569,386 -0.746,387 2,388 0.091,389 -0.887,390 -1.235,392 -2.523,393 -0.863,394 0.191,395 -0.884,396 1.74,397 -0.215,398 -1.183,399 -1.577,401 -3.334,402 -1.131,403 9.633,404 0.482,405 0.431,406 0.022,407 28.75,408 1.438,409 15.5,410 0.775,411 13.25,412 0.663,413 12.897,414 0.645,415 20.967,416 0.655,417 19.215,418 0.961,419 5.849,420 0.292,421 3.892,422 0.195,423 0.138,425 0.353,428 0.779,429 1.34,430 0.64,431 1.037,432 0.595,433 0.887,434 1.197,435 0.932,436 0.78,437 0.709,438 0.791,439 0.631,440 1.035,441 1.036,442 0.841,443 0.954,444 0.99,445 0.839,446 1.078,447 1.198,448 1.297,449 1.288,450 1.118,451 1.115,452 0.86,453 0.953,454 1.011,455 1.035,456 1.122,457 0.954,458 0.943,459 1.002,460 1.225,461 1.178,462 1.055,463 1.023,464 1.703,465 1.056,466 1.475,467 1.179,468 1.692,469 1.286,470 1.195,471 1.026,472 1.054,473 0.986,474 1.364,475 1.405,476 3.5,478 2.444,479 1.826,480 1.281,481 0.834,482 0.412,483 0.168,484 0.072,485 0.025,486 3341,487 10726,488 2.077,489 37.5,491 11,493 1,498 1.625,499 1.935,500 2.873,501 -0.689,503 1,504 1,506 56.923,507 1.779,508 3.48,509 3.965,510 4.39,511 4.515,512 4.703,513 2.228,514 4.022,515 4.294,516 2.963,517 562.985,518 7.373,519 5611.13,520 1,521 1,522 1,523 160,524 1.441,525 4.248,526 0.159,528 0.079,529 0.055,530 0.044,531 0.032,532 0.018,533 0.011,534 0.009,535 0.012,536 0.419,537 0.67,538 1,539 0.959,540 86.254,541 -0.029,542 -0.306,543 0.093,544 -0.139,545 -0.057,546 -0.049,547 -0.14,548 0.102,549 0.155,550 0.263,551 -0.068,552 0.256,553 -0.034,554 0.02,555 0.12,556 0.045,557 -0.021,558 0.034,559 -0.055,560 -0.143,561 -0.172,562 -0.193,563 -0.036,564 -0.203,565 0.159,566 0.034,567 0.034,568 -0.025,569 0.094,570 0.018,571 0.085,572 -0.022,573 -0.138,574 -0.135,575 0.134,576 -0.041,577 -0.36,578 -0.14,579 -0.529,580 -0.231,581 -0.322,582 -0.374,583 -0.253,584 -0.147,585 -0.341,586 -0.216,587 -0.321,588 -0.432,589 1.773,590 5.434,591 0.75,592 12.6,593 1.021,594 1.113,595 1.089,596 1.185,597 0.713,598 3.135,599 3.466,600 3.807,601 4.094,602 4.331,603 4.407,604 4.489,605 4.522,606 4.431,607 4.357,608 4.497,609 0.688,610 288.35,611 3.135,612 4.673,613 5.549,614 6.444,615 7.343,616 8.248,617 9.153,618 10.062,619 10.971,620 11.882,621 6.3,624 1,626 1,629 6,630 1,632 5,634 12,639 2,641 32,642 13,643 1,644 22,645 34,646 14,647 11,648 3,649 3,650 1,651 3,652 4,659 12,660 2,662 1,665 1,666 1,667 1,668 1,670 12,671 5,673 6,674 1,677 2,678 0.667,679 3,682 1,685 1,686 2,688 1,702 2,704 1,705 2,708 20,711 1,715 2,716 1,718 1,724 9.4,727 1,729 2,731 10.333,732 6.567,733 4.556,734 1.688,735 2.448,736 1.362,737 0.976,738 3.549,739 9.207,740 3.401,741 3.989,742 4.595,743 5.143,744 5.664,745 5.831,746 6.134,747 6.416,748 6.664,749 6.918,750 0.8,751 33,752 7.354,753 3.1,754 7.842,755 13.774,756 10.961,757 2.342,758 46.833,760 141.253,761 132.432,762 18.304,763 47.145,765 31.981,766 100.451,767 188.398,768 18.304,769 21.766,770 1.519,771 47.381,772 58.406,773 47.476,774 1.122,775 161.463,777 141.253,778 118.755,779 47.145,780 31.981,782 141.253,783 47.145,785 10.566,786 91.403,787 16.786,788 31.981,789 141.253,790 65.449,791 132.432,794 141.253,795 54.237,796 79.713,798 63.93,799 141.253,800 65.449,801 132.432,803 0.574,804 0.364,805 0.204,806 0.114,807 16,808 7,809 0.088,810 3,811 1,812 1.133,813 3.145,814 156.653,815 0.133,816 15,817 86.439,818 1,820 13.277,821 5.346,822 2.267,824 65.449,825 10.534,826 4.212,828 3.224,831 339.134,832 29,835 12.434,836 -0.107,837 32.68,838 35.621,839 0.356,840 0.696,841 0.793,842 0.878,843 0.903,844 0.941,845 4.635,846 0.777,847 5.541,848 2.763,849 4.143,850 4.673,851 1.824,852 6.402,853 4.033,854 5.839,855 0.658,856 7.132,857 1.706,858 3.761,859 4.46,861 7.409,862 3.614,863 7.154,864 0.329,865 8.825,866 1.25,867 5.778,868 6.852,869 1.74,870 10.547,871 5.575,872 8.508,873 -0.301,874 10.579,875 0.446,876 6.256,877 7.455,879 12.391,880 6.014,881 9.895,882 -0.584,883 12.372,884 -0.629,885 7.731,886 9.317,887 1.692,888 15.056,889 7.447,890 11.306,891 -0.794,892 14.191,893 -1.171,894 8.595,895 10.299,897 17.236,898 8.269,899 12.735,900 -0.887,901 16.029,902 -1.995,903 9.867,904 11.931,905 1.676,906 19.742,907 9.503,908 3.264,909 -1.183,910 17.882,911 -2.523,912 10.904,913 13.105,915 22.062,916 10.496,917 2.837,918 11.413,919 19.747,920 -3.334,921 12.103,922 14.624,923 1.688,924 24.513,925 11.655,926 2.282,927 9.445,928 21.621,929 4.091,930 13.214,931 15.898,933 26.892,934 12.722,935 2.054,936 6.748,937 23.502,938 3.861,939 14.389,940 17.359,941 1.723,942 29.325,943 13.856,944 1.72,945 6.224,946 25.39,947 2.922,948 15.533,949 18.687,951 31.73,952 14.955,953 1.434,954 5.088,955 27.282,956 2.664,957 16.703,958 20.117,959 1.776,960 34.159,961 16.082,962 1.086,963 3.379,964 29.179,965 2.172,966 17.863,967 21.475,969 36.576,970 17.197,971 3327,972 6084,973 14.622,974 22.83,975 32.963,976 35.694,977 34.897,978 32.823,979 32.88,980 42.814,981 5.557,982 96.923,983 30.968,984 5.388,985 6.173,986 6.547,987 5.286,988 5.264,989 7.091,990 2.117,991 18.947,992 5.122,993 9.204,994 1.498,995 1.622,996 1.586,997 1.492,998 1.495,999 1.946,1000 0.253,1001 4.406,1002 1.408,1003 3.995,1004 4.012,1005 4.132,1006 3.91,1007 7.428,1008 3.905,1009 3.839,1010 3.86,1011 3.815,1012 3.756,1013 4.927,1014 3.757,1015 3.341,1016 3.381,1017 3.389,1018 3.157,1019 4.835,1020 3.15,1021 3.283,1022 3.323,1023 3.167,1024 3.015,1025 4.602,1026 3.035,1027 3.138,1028 3.222,1029 3.007,1030 2.866,1031 4.159,1032 2.854,1033 2.823,1034 2.876,1035 2.892,1036 2.695,1037 3.862,1038 2.687,1039 2.746,1040 2.806,1041 2.676,1042 2.638,1043 3.794,1044 2.598,1045 2.642,1046 2.698,1047 2.462,1048 2.507,1049 3.533,1050 2.488,1051 0.206,1052 0.19,1053 0.312,1054 0.192,1055 0.148,1056 4.534,1057 0.186,1058 4.173,1059 0.048,1060 6.866,1061 0.519,1062 4.222,1063 0.142,1064 3.264,1065 4.091,1066 1.058,1067 11.413,1068 3.122,1069 1.874,1070 1.858,1071 1.957,1072 1.993,1073 1.072,1074 1.981,1075 1.803,1076 1.778,1077 1.889,1078 1.914,1079 0.954,1080 1.913,1081 1.246,1082 1.197,1083 1.592,1084 1.571,1085 0.587,1086 1.573,1087 1.17,1088 1.13,1089 1.539,1090 1.467,1091 0.559,1092 1.485,1093 1.114,1094 1.03,1095 1.231,1096 1.373,1097 0.299,1098 1.347,1099 0.886,1100 0.864,1101 1.081,1102 1.014,1103 0.183,1104 1.046,1105 0.751,1106 0.7,1107 0.879,1108 0.897,1109 0.068,1110 0.934,1111 0.629,1112 0.57,1113 0.839,1114 0.858,1116 0.869,1117 3.807,1118 5.13,1119 2.398,1120 6.671,1121 4.844,1122 8.306,1123 7.034,1124 9.99,1125 3.156,1132 10.529,1133 1.283,1135 1.568,1139 22.008,1140 56.923,1141 111.371,1142 126.881,1143 140.49,1144 144.49,1145 150.49,1146 28.23,1147 6.759,1148 53.35,1149 81.59,1150 17,1151 12.397,1152 3.807,1153 3,1154 29.695,1155 53,1156 54,1157 0.285,1158 139.1,1159 240.28,1160 331.163,1161 6518,1163 14.113,1164 0.706,1165 0.59,1166 14.466,1167 11.808,1168 9.741,1169 0.443,1170 0.305,1171 5.87,1172 8.794,1173 5.623,1174 4.696,1175 10.149,1176 6.711,1177 8.387,1178 0.271,1179 0.162,1180 9.002,1181 5.019,1182 7.702,1183 0.175,1184 0.091,1185 8.58,1186 4.012,1187 6.429,1188 0.109,1189 0.05,1190 7.415,1191 2.935,1192 5.24,1193 0.07,1194 0.027,1195 6.167,1196 1.991,1197 0.422,1198 66.326,1199 0.262,1200 19.333,1201 0.86,1202 106,1203 371.357,1204 144.619,1205 368.161,1206 503.23,1207 346,1208 128,1209 352.624,1210 168.107,1211 373.444,1212 549.44,1213 348,1214 4.276} {0 CHEMBL114878,1 1.828,2 16.37,3 3.233,4 10.449,5 181.997,6 8.05,7 0.211,8 4.664,9 4.784,10 4.248,11 4.093,12 5.854,13 4.114,14 5.267,15 5.437,16 4.693,17 4.507,18 6.871,19 4.5,20 5.569,21 5.783,22 4.744,23 4.721,24 6.778,25 4.68,26 5.722,27 5.937,28 4.803,29 4.776,30 6.956,31 4.751,32 5.768,33 5.98,34 4.949,35 4.819,36 7.115,37 4.808,38 5.869,39 6.081,40 5.067,41 4.869,42 7.484,43 4.863,44 5.886,45 6.1,46 4.96,47 4.91,48 7.175,49 4.888,50 5.876,51 6.104,52 4.876,53 4.878,54 7.175,55 4.822,56 0.511,57 1.778,58 17.793,59 8.876,60 86.053,61 10.6,62 2.22,63 3.367,64 40.185,65 14.97,66 342.741,67 19.011,68 1.905,69 3.223,70 58.06,71 20.462,72 265.305,73 27.346,74 2.718,75 3.545,76 71.748,77 21.945,78 438.599,79 28.374,80 2.809,81 3.794,82 73.819,83 22.661,84 450.219,85 30.343,86 4.566,87 5.042,88 85.854,89 24.606,90 735.601,91 31.84,92 3.425,93 3.922,94 85.407,95 25.018,96 495.249,97 32.942,98 3.366,99 3.451,100 85.65,101 25.216,102 522.822,103 35.097,104 155,105 80,106 0.27,107 0.563,108 0.759,109 0.864,110 0.864,111 0.864,112 4.01,113 0.914,114 -3.4,115 -3.38,116 -3.23,117 36.5,119 6,120 2,122 7,123 1,125 2,128 7,129 5,136 4,137 1,145 1,147 20,149 2,150 3,152 5,153 4,154 23,158 6,159 5,160 1,161 8,163 21,166 10,169 10,171 18,173 4,174 11,176 4,177 1,178 9,180 18,181 1,182 13,184 4,185 3,186 8,189 18,191 1,192 10,193 3,194 1,195 9,197 18,199 4,200 13,203 7,204 2,205 10,207 12,209 3,210 13,213 4,214 3,215 10,216 11,219 8382,220 35.073,221 35.073,222 35.073,223 35.073,224 35.073,225 33.117,226 41.761,227 20.621,228 36.038,229 28.041,230 28.041,231 28.041,232 28.041,233 28.041,234 24.598,235 41.939,236 9.74,237 29.563,238 4.757,239 2.767,240 1.441,241 0.724,242 0.724,243 0.724,244 4.693,248 1840,249 5.523,251 524.856,255 2.62,256 138.918,258 0.25,259 0.5,260 0.5,261 0.7,262 1,263 0.33,264 0.5,265 0.54,266 127,267 884,268 4.585,269 4.482,270 7.186,271 4.29,272 3.404,273 4.132,274 3.825,275 11.983,276 3.108,277 4.292,278 4.439,279 7.052,280 4.099,281 3.23,282 3.68,283 3.825,284 11.446,285 3.077,286 4.236,287 3.971,288 6.64,289 4.059,290 3.095,291 3.425,292 2.186,293 10.589,294 2.76,295 4.133,296 3.798,297 6.143,298 3.805,299 2.828,300 3.363,301 2.071,302 9.071,303 2.721,304 3.988,305 3.715,306 6.06,307 3.791,308 2.813,309 3.157,310 2.005,311 8.69,312 2.676,313 3.891,314 3.637,315 6,316 3.701,317 2.729,318 3.07,319 1.952,320 8.492,321 2.635,322 3.735,323 3.613,324 5.566,325 3.424,326 2.427,327 3.041,328 1.889,329 7.203,330 2.412,331 3.658,332 3.164,333 5.271,334 3.318,335 2.378,336 2.828,337 0.604,338 6.491,339 2.23,340 3.57,341 2.912,342 5.035,343 3.232,344 2.223,345 2.753,346 0.589,347 6.092,348 2.203,349 3.191,350 2.658,351 4.877,352 2.832,353 1.87,354 2.374,355 0.4,356 5.577,357 1.794,358 2.966,359 2.442,360 4.461,361 2.777,362 1.843,363 1.964,364 0.366,365 4.484,366 1.683,367 2.853,368 2.264,369 4.377,370 2.7,371 1.717,372 1.843,373 0.311,374 3.959,375 1.665,376 2.746,377 2.164,378 4.298,379 2.595,380 1.594,381 1.761,382 0.101,383 3.92,384 1.586,385 2.685,386 2.121,387 4.212,388 2.435,389 1.475,390 1.71,392 3.656,393 1.405,394 2.65,395 1.924,396 4.074,397 2.235,398 1.285,399 1.698,401 3.595,402 1.215,403 23.948,404 0.443,405 1.697,406 0.031,407 54.5,408 1.009,409 19.5,410 0.361,411 35,412 0.648,413 69.567,414 1.288,415 64.852,416 0.676,417 68.119,418 1.261,419 11.187,420 0.207,421 14.374,422 0.266,423 0.155,424 0.042,425 0.288,426 6,428 0.631,429 1.124,430 0.705,431 1.212,432 0.584,433 1.043,434 0.456,435 0.816,436 0.785,437 1.093,438 0.398,439 1.09,440 0.622,441 0.831,442 0.811,443 1.066,444 0.583,445 1.039,446 1.023,447 0.93,448 1.038,449 1.021,450 1.024,451 1.032,452 0.796,453 0.91,454 0.839,455 1.018,456 0.8,457 0.971,458 0.821,459 0.779,460 0.913,461 0.958,462 0.8,463 0.974,464 0.99,465 0.858,466 1.027,467 0.987,468 0.976,469 1.017,470 0.764,471 0.759,472 0.965,473 1.04,474 0.778,475 1.087,476 13.5,477 0.584,478 7.111,479 3.625,480 3.382,481 3.229,482 1.566,483 1.325,484 1.034,485 0.572,486 53772,487 203987,488 1.954,489 43.8,490 6,491 22,494 6,495 2,496 6,498 1.876,499 1.79,500 3.897,501 2.762,506 175.483,507 1.828,508 3.818,509 5.144,510 5.861,511 5.861,512 5.861,513 3.375,514 4.921,515 5.726,516 4.204,517 6016.58,518 10.252,519 129882,523 632.156,524 1.671,525 5.652,526 0.237,527 0.007,528 0.089,529 0.042,530 0.038,531 0.031,532 0.014,533 0.013,534 0.011,535 0.007,536 0.488,537 0.17,538 0.63,539 0.927,540 331.071,541 -0.047,542 -0.066,543 0.007,544 0.003,545 -0.046,546 0.026,547 0.325,548 0.254,549 0.059,550 0.013,551 0.323,552 -0.064,553 0.018,554 -0.041,555 0.056,556 -0.025,557 0.037,558 0.017,559 -0.168,560 -0.062,561 -0.101,562 -0.015,563 -0.145,564 -0.021,565 -0.005,566 -0.125,567 0.083,568 -0.032,569 0.004,570 0.038,571 0.155,572 0.168,573 0.064,574 0.025,575 0.179,576 0.007,577 -0.129,578 -0.049,579 -0.083,580 -0.008,581 -0.106,582 -0.02,583 0.004,584 -0.027,585 -0.029,586 -0.071,587 0.005,588 -0.069,589 6.305,590 7.045,591 0.611,592 79.609,593 1.037,594 1.158,595 2.167,596 4.695,597 0.623,598 4.06,599 4.394,600 4.575,601 4.745,602 4.997,603 5.081,604 5.176,605 5.283,606 5.38,607 5.451,608 10.092,609 0.62,610 772.83,611 4.06,612 5.617,613 6.441,614 7.313,615 8.161,616 9.034,617 9.893,618 10.769,619 11.634,620 12.513,621 6.3,622 1,624 5,629 7,632 5,634 12,641 96,642 17,643 2,644 57,645 99,646 35,647 12,648 5,649 7,651 4,652 4,653 2,654 6,655 2,656 2,657 7,659 17,660 18,661 2,662 5,665 5,666 5,669 6,670 42,671 19,672 6,673 19,677 6,678 1,679 7,686 3,693 2,694 1,696 1,697 1,699 1,700 1,702 4,706 6,708 54,712 1,713 13,714 5,715 1,717 3,718 1,719 2,723 6,724 7.3,725 1,727 5,729 1,731 30.167,732 16.34,733 11.833,734 5.785,735 2.298,736 1.26,737 0.929,738 15.576,739 11.119,740 4.234,741 4.71,742 5.1,743 5.504,744 6.028,745 6.266,746 6.632,747 6.931,748 7.272,749 7.529,750 0.909,751 87,752 22.488,753 11.772,754 8.531,755 36.52,756 30.023,757 3.031,758 163.667,760 423.76,761 155.796,762 89.64,763 179.53,764 89.761,766 155.796,767 603.29,768 179.401,770 104.063,771 127.15,772 144.543,773 116.688,774 6.763,775 423.76,776 15.519,777 423.76,778 245.436,779 269.291,782 353.133,783 297.112,784 42.806,785 137.593,786 107.843,789 513.52,790 269.17,791 155.796,794 439.279,795 73.943,796 69.458,797 86.516,798 269.291,799 423.76,800 358.931,801 155.796,803 0.587,804 0.326,805 0.157,806 0.092,807 32,808 18,809 0.071,810 7,812 1,813 5.566,814 593.755,816 33,817 281.254,820 42.853,821 19.627,822 12.856,824 358.931,825 6.489,828 -2.992,830 129.321,831 938.486,832 68,835 65.296,836 -3.459,837 99.534,838 111.213,839 0.278,840 0.58,841 0.781,842 0.89,843 0.89,844 0.89,845 5.513,846 2.378,847 6.469,848 7.203,849 5.081,850 5.398,851 4.353,852 7.298,853 4.988,854 6.703,855 2.223,856 8.057,857 6.491,858 4.89,859 5.301,860 4.78,861 8.47,862 4.66,863 8.012,864 1.87,865 9.758,866 6.092,867 6.753,868 7.411,869 6.339,870 11.455,871 6.546,872 9.351,873 1.843,874 11.529,875 5.577,876 7.347,877 8.062,878 7.458,879 13.418,880 6.995,881 10.723,882 1.717,883 13.344,884 4.484,885 8.749,886 9.739,887 8.816,888 16.012,889 8.392,890 12.115,891 1.594,892 15.189,893 3.959,894 9.671,895 10.717,896 10.107,897 18.266,898 9.185,899 13.524,900 1.475,901 17.056,902 3.92,903 10.915,904 12.234,905 11.445,906 20.749,907 10.394,908 3.404,909 1.285,910 18.939,911 3.656,912 11.98,913 13.381,914 12.775,915 23.118,916 11.346,917 3.23,918 11.983,919 20.835,920 3.595,921 13.172,922 14.83,923 14.115,924 25.571,925 12.481,926 3.095,927 11.446,928 22.741,929 4.132,930 14.301,931 16.075,932 15.453,933 27.987,934 13.511,935 2.828,936 10.589,937 24.655,938 3.68,939 15.481,940 17.495,941 16.794,942 30.436,943 14.62,944 2.813,945 9.071,946 26.575,947 3.425,948 16.639,949 18.8,950 18.135,951 32.874,952 15.688,953 2.729,954 8.69,955 28.502,956 3.363,957 17.82,958 20.207,959 19.476,960 35.326,961 16.791,962 2.427,963 8.492,964 30.433,965 3.157,966 18.995,967 21.551,968 20.818,969 37.775,970 17.879,971 52545,972 103101,973 36.175,974 59.83,975 85.939,976 89.568,977 86.954,978 85.167,979 84.583,980 98.623,981 40.252,982 244.812,983 80.569,984 5.585,985 6.482,986 6.988,987 5.357,988 5.404,989 7.132,990 5.528,991 19.289,992 5.108,993 36.856,994 1.508,995 1.571,996 1.526,997 1.494,998 1.484,999 1.73,1000 0.706,1001 4.295,1002 1.413,1003 4.061,1004 4.087,1005 4.019,1006 3.999,1007 8.518,1008 3.998,1009 3.915,1010 3.954,1011 3.851,1012 3.799,1013 8.509,1014 3.802,1015 3.851,1016 3.906,1017 3.769,1018 3.697,1019 7.999,1020 3.704,1021 3.792,1022 3.842,1023 3.708,1024 3.625,1025 7.999,1026 3.636,1027 3.741,1028 3.785,1029 3.636,1030 3.591,1031 7.999,1032 3.592,1033 3.662,1034 3.711,1035 3.577,1036 3.422,1037 7.999,1038 3.446,1039 3.518,1040 3.574,1041 3.475,1042 3.304,1043 7.441,1044 3.314,1045 3.431,1046 3.47,1047 3.394,1048 3.173,1049 7.432,1050 3.182,1051 0.08,1052 0.079,1053 0.126,1054 0.075,1055 0.06,1056 4.585,1057 0.072,1058 4.482,1059 0.067,1060 7.186,1061 0.21,1062 4.29,1063 0.055,1064 3.404,1065 4.132,1066 3.825,1067 11.983,1068 3.108,1069 2.015,1070 1.996,1071 2.105,1072 2.087,1073 1.408,1074 2.092,1075 1.866,1076 1.837,1077 2.006,1078 2.022,1079 1.338,1080 2.013,1081 1.783,1082 1.731,1083 1.986,1084 1.998,1085 1.252,1086 1.995,1087 1.753,1088 1.702,1089 1.969,1090 1.952,1091 1.234,1092 1.961,1093 1.738,1094 1.682,1095 1.891,1096 1.88,1097 1.112,1098 1.88,1099 1.536,1100 1.475,1101 1.747,1102 1.798,1103 0.986,1104 1.783,1105 1.476,1106 1.432,1107 1.687,1108 1.706,1109 0.919,1110 1.697,1111 1.37,1112 1.31,1113 1.607,1114 1.653,1115 0.825,1116 1.638,1117 4.745,1118 6.075,1120 7.576,1122 9.153,1124 10.774,1126 80.977,1129 9.608,1130 2.392,1131 12.469,1132 5.148,1134 -3.732,1135 1.582,1136 -10.11,1139 59.495,1140 175.483,1141 366.514,1142 493.802,1143 562.647,1144 562.647,1145 562.647,1146 301.318,1147 8.821,1148 178.2,1149 178.2,1150 33,1151 13.053,1152 4.17,1153 3.585,1154 117.698,1155 314,1156 364,1157 0.169,1158 360.656,1159 677.73,1160 871.761,1161 112621,1162 6.3,1163 39.468,1164 0.731,1165 0.538,1166 34.468,1167 29.078,1168 25.561,1169 0.448,1170 0.305,1171 16.968,1172 23.963,1173 16.853,1174 13.759,1175 23.138,1176 17.364,1177 24.254,1178 0.303,1179 0.162,1180 20.338,1181 12.995,1182 18.28,1183 0.19,1184 0.096,1185 16.302,1186 9.198,1187 13.575,1188 0.119,1189 0.055,1190 12.807,1191 6.267,1192 11.481,1193 0.078,1194 0.03,1195 10.104,1196 4.394,1197 0.267,1198 165.317,1199 0.166,1200 45.314,1201 0.46,1202 274,1203 1296.54,1204 335.105,1205 1060.61,1206 1330.87,1207 974,1208 313,1209 879.711,1210 359.173,1211 838.671,1212 1256.11,1213 785,1214 5.699} {0 CHEMBL115263,1 1.78,2 13.556,3 2.457,4 6.037,5 155.475,6 7.848,7 0.255,8 4.484,9 4.603,10 4.045,11 3.933,12 5.7,13 3.943,14 5.046,15 5.207,16 4.442,17 4.334,18 6.542,19 4.309,20 5.371,21 5.579,22 4.527,23 4.542,24 6.562,25 4.493,26 5.525,27 5.733,28 4.643,29 4.621,30 6.755,31 4.594,32 5.627,33 5.835,34 4.763,35 4.695,36 7.008,37 4.67,38 5.708,39 5.924,40 4.747,41 4.747,42 6.981,43 4.706,44 5.744,45 5.967,46 4.745,47 4.783,48 6.939,49 4.731,50 5.717,51 5.947,52 4.71,53 4.738,54 6.997,55 4.665,56 0.36,57 1.345,58 15.605,59 7.384,60 60.393,61 9.019,62 1.4,63 2.399,64 31.962,65 12.718,66 217.083,67 16.305,68 1.395,69 2.502,70 48.015,71 16.98,72 226.508,73 22.81,74 1.768,75 2.924,76 57.666,77 18.111,78 279.493,79 23.909,80 2.28,81 3.168,82 64.719,83 20.05,84 374.296,85 26.503,86 2.534,87 3.217,88 71.72,89 21.459,90 388.538,91 28.618,92 2.549,93 3.11,94 74.73,95 21.751,96 386.986,97 30.208,98 2.307,99 2.845,100 72.057,101 22.099,102 382.894,103 31.954,104 116,105 64,106 0.272,107 0.586,108 0.782,109 0.886,110 0.9,111 0.906,112 3.832,113 0.917,114 -2.67,115 -2.68,116 -2.61,117 37,119 6,120 2,122 3,123 1,125 1,128 8,129 4,136 4,137 1,140 1,141 1,142 1,145 1,147 20,149 1,150 3,151 1,152 6,153 4,154 23,158 6,159 3,160 2,161 8,162 1,163 21,166 10,169 10,171 18,173 3,174 11,175 1,176 4,177 1,178 9,180 18,181 1,182 12,184 3,185 3,186 9,188 1,189 18,190 1,191 1,192 9,193 3,194 1,195 10,197 18,198 1,199 3,200 11,202 1,203 7,204 2,205 12,207 12,208 2,209 3,210 11,213 4,214 2,215 11,216 11,218 2,219 5036,220 29.429,221 29.429,222 29.429,223 29.429,224 29.429,225 27.303,226 29.734,227 17.579,228 29.957,229 23.109,230 23.109,231 23.109,232 23.109,233 23.109,234 19.621,235 25.488,236 8.269,237 23.877,238 4.56,239 2.5,240 1.213,241 0.531,242 0.438,243 0.404,244 4.509,248 1249,249 4.848,251 274.672,255 2.099,256 101.884,258 0.25,259 0.5,260 0.5,261 0.7,262 1,263 0.33,264 0.5,265 0.54,266 104,267 610,268 4.591,269 4.47,270 7.283,271 4.297,272 3.4,273 4.145,274 3.825,275 12.423,276 3.131,277 4.227,278 3.971,279 6.64,280 4.098,281 3.094,282 3.566,283 2.186,284 10.589,285 3.096,286 4.047,287 3.787,288 6.152,289 3.771,290 2.781,291 3.338,292 2.071,293 8.945,294 2.745,295 3.946,296 3.638,297 6.043,298 3.706,299 2.754,300 3.11,301 1.985,302 8.646,303 2.592,304 3.71,305 3.637,306 5.568,307 3.411,308 2.422,309 2.964,310 1.925,311 7.208,312 2.368,313 3.658,314 3.501,315 5.282,316 3.318,317 2.378,318 2.828,319 1.886,320 6.498,321 2.236,322 3.59,323 3.164,324 5.035,325 3.26,326 2.257,327 2.775,328 0.589,329 6.092,330 2.207,331 3.504,332 2.929,333 4.805,334 3.178,335 2.157,336 2.662,337 0.366,338 5.217,339 2.175,340 3.24,341 2.666,342 4.683,343 2.8,344 1.821,345 2.52,346 0.343,347 5.08,348 1.758,349 2.863,350 2.249,351 4.378,352 2.718,353 1.73,354 1.854,355 0.14,356 4.051,357 1.702,358 2.745,359 2.151,360 4.085,361 2.595,362 1.593,363 1.74,365 3.611,366 1.587,367 2.663,368 1.977,369 3.932,370 2.424,371 1.452,372 1.706,374 3.367,375 1.399,376 2.577,377 1.897,378 3.812,379 2.197,380 1.214,381 1.606,383 2.897,384 1.186,385 2.539,386 1.751,387 3.596,388 2.117,389 1.131,390 1.526,392 2.796,393 1.099,394 2.5,395 1.438,396 3.543,397 2.087,398 1.093,399 1.5,401 2.561,402 1.076,403 20.19,404 0.449,405 1.272,406 0.028,407 47.75,408 1.061,409 19.5,410 0.433,411 28.25,412 0.628,413 52.841,414 1.174,415 53.01,416 0.654,417 54.113,418 1.203,419 9.821,420 0.218,421 11.579,422 0.257,423 0.161,424 0.025,425 0.297,426 3,428 0.663,429 1.101,430 0.752,431 1.134,432 0.611,433 1,434 0.456,435 0.912,436 0.815,437 1.16,438 0.43,439 1.136,440 0.688,441 0.878,442 0.856,443 1.047,444 0.695,445 1.028,446 1.028,447 1.007,448 1.005,449 1.025,450 0.988,451 1.007,452 0.956,453 0.996,454 0.972,455 1.022,456 0.913,457 1.007,458 1.025,459 0.908,460 1.063,461 0.996,462 1.014,463 1.034,464 0.936,465 0.779,466 1.023,467 0.942,468 0.926,469 0.997,470 0.62,471 0.771,472 0.874,473 1.089,474 0.64,475 1.088,476 10,477 0.576,478 5.556,479 3.375,480 2.862,481 1.972,482 1.2,483 1.21,484 0.788,485 0.581,486 30812,487 115851,488 1.94,489 44.4,490 6,491 15,494 7,495 2,496 6,498 1.836,499 1.782,500 3.678,501 3.693,506 144.188,507 1.78,508 3.84,509 5.127,510 5.809,511 5.901,512 5.935,513 3.097,514 5.147,515 5.464,516 3.948,517 3908.08,518 9.733,519 73122.1,523 513.528,524 1.617,525 5.394,526 0.213,527 0.008,528 0.087,529 0.048,530 0.037,531 0.023,532 0.014,533 0.014,534 0.01,535 0.008,536 0.462,537 0.17,538 0.63,539 1.308,540 260.611,541 -0.054,542 0.012,543 -0.005,544 0.059,545 -0.056,546 0.054,547 0.31,548 0.196,549 0.032,550 -0.031,551 0.269,552 -0.096,553 0.01,554 -0.027,555 0.034,556 0.001,557 -0.001,558 0.016,559 -0.158,560 -0.085,561 -0.066,562 -0.017,563 -0.115,564 -0.006,565 -0.036,566 -0.057,567 -0.016,568 -0.022,569 0.014,570 -0.013,571 -0.101,572 -0.009,573 -0.097,574 -0.012,575 -0.095,576 -0.044,577 -0.096,578 0.011,579 -0.069,580 0.024,581 -0.098,582 -0.003,583 0.096,584 -0.08,585 0.059,586 -0.117,587 0.088,588 -0.064,589 5.826,590 6.769,591 0.6,592 55.772,593 1.029,594 1.149,595 1.435,596 2.06,597 0.629,598 3.871,599 4.174,600 4.357,601 4.554,602 4.754,603 4.779,604 4.898,605 5.056,606 5.153,607 5.22,608 8.598,609 0.62,610 635.71,611 3.871,612 5.407,613 6.225,614 7.089,615 7.932,616 8.801,617 9.656,618 10.529,619 11.39,620 12.265,621 6.2,624 5,629 8,632 4,634 12,641 81,642 17,643 2,644 47,645 83,646 30,647 12,648 4,649 8,651 3,652 3,653 1,654 6,655 2,656 1,657 7,659 17,660 13,661 2,662 5,665 5,666 5,669 3,670 36,671 15,672 7,673 15,677 5,678 1,679 7,686 2,692 1,693 2,696 1,699 1,700 1,702 3,706 3,708 45,709 1,712 1,713 9,714 4,715 1,717 3,719 1,723 3,724 8.6,725 1,727 5,729 1,731 25.25,732 13.629,733 10.083,734 4.761,735 2.372,736 1.287,737 0.919,738 13.657,739 10.635,740 4.078,741 4.543,742 4.927,743 5.355,744 5.848,745 5.984,746 6.353,747 6.698,748 7.007,749 7.219,750 0.889,751 71,752 17.525,753 8.209,754 8.439,755 30.392,756 24.61,757 2.939,758 132.25,760 341.362,761 145.904,762 101.402,763 179.53,764 44.88,766 145.904,767 520.892,768 146.282,770 125.413,771 118.616,772 144.543,773 68.623,774 6.763,775 341.362,776 7.76,777 341.362,778 247.306,779 224.411,782 270.735,783 252.231,784 42.806,785 133.173,786 114.133,789 386.242,790 280.932,791 145.904,794 349.121,795 62.334,796 75.81,797 68.505,798 257.308,799 341.362,800 325.813,801 145.904,803 0.577,804 0.32,805 0.164,806 0.093,807 24,808 14,809 0.084,810 7,812 1,813 4.919,814 456.94,816 27,817 238.379,820 35.825,821 17.155,822 11.03,824 325.813,825 11.106,828 -0.073,830 144.208,831 813.079,832 58,835 62.698,836 -3.766,837 83.359,838 93.035,839 0.281,840 0.606,841 0.809,842 0.916,843 0.931,844 0.936,845 5.328,846 2.157,847 6.229,848 6.092,849 4.86,850 5.231,851 4.036,852 7.036,853 4.803,854 6.507,855 1.821,856 7.797,857 5.217,858 4.575,859 5.056,860 4.251,861 8.132,862 4.435,863 7.801,864 1.73,865 9.479,866 5.08,867 6.482,868 7.235,869 5.827,870 11.168,871 6.352,872 9.127,873 1.593,874 11.232,875 4.051,876 7.004,877 7.824,878 6.833,879 13.112,880 6.783,881 10.486,882 1.452,883 13.033,884 3.611,885 8.427,886 9.554,887 8.181,888 15.748,889 8.2,890 11.867,891 1.214,892 14.868,893 3.367,894 9.31,895 10.498,896 9.437,897 18.02,898 8.996,899 13.266,900 1.131,901 16.728,902 2.897,903 10.563,904 12.056,905 10.769,906 20.546,907 10.222,908 3.4,909 1.093,910 18.608,911 2.796,912 11.612,913 13.192,914 12.09,915 22.95,916 11.191,917 3.094,918 12.423,919 20.504,920 2.561,921 12.81,922 14.674,923 13.426,924 25.449,925 12.345,926 2.781,927 10.589,928 22.413,929 4.145,930 13.935,931 15.923,932 14.763,933 27.909,934 13.396,935 2.754,936 8.945,937 24.332,938 3.566,939 15.121,940 17.368,941 16.102,942 30.406,943 14.525,944 2.422,945 8.646,946 26.26,947 3.338,948 16.284,949 18.685,950 17.443,951 32.891,952 15.615,953 2.378,954 7.208,955 28.195,956 3.11,957 17.472,958 20.113,959 18.784,960 35.393,961 16.738,962 2.257,963 6.498,964 30.137,965 2.964,966 18.654,967 21.471,968 20.125,969 37.891,970 17.847,971 30716,972 59781,973 29.819,974 50.966,975 69.781,976 73.964,977 71.465,978 68.935,979 68.636,980 82.543,981 30.633,982 193.489,983 66.656,984 5.576,985 6.47,986 7.054,987 5.359,988 5.4,989 7.145,990 5.528,991 20.149,992 5.131,993 29.877,994 1.485,995 1.574,996 1.521,997 1.467,998 1.46,999 1.756,1000 0.652,1001 4.117,1002 1.418,1003 4.048,1004 4.074,1005 3.999,1006 3.991,1007 8.513,1008 3.988,1009 3.9,1010 3.936,1011 3.831,1012 3.785,1013 7.999,1014 3.786,1015 3.802,1016 3.847,1017 3.72,1018 3.678,1019 7.999,1020 3.68,1021 3.737,1022 3.776,1023 3.651,1024 3.608,1025 7.444,1026 3.605,1027 3.671,1028 3.724,1029 3.579,1030 3.433,1031 7.434,1032 3.457,1033 3.586,1034 3.634,1035 3.488,1036 3.348,1037 7.431,1038 3.371,1039 3.425,1040 3.477,1041 3.326,1042 3.21,1043 7.427,1044 3.217,1045 3.364,1046 3.404,1047 3.317,1048 3.094,1049 7.423,1050 3.139,1051 0.098,1052 0.095,1053 0.155,1054 0.091,1055 0.072,1056 4.591,1057 0.088,1058 4.47,1059 0.081,1060 7.283,1061 0.264,1062 4.297,1063 0.067,1064 3.4,1065 4.145,1066 3.825,1067 12.423,1068 3.131,1069 2.011,1070 1.991,1071 2.107,1072 2.082,1073 1.408,1074 2.09,1075 1.858,1076 1.826,1077 2.008,1078 2.003,1079 1.338,1080 2.001,1081 1.771,1082 1.721,1083 1.986,1084 1.958,1085 1.228,1086 1.965,1087 1.731,1088 1.692,1089 1.897,1090 1.866,1091 1.097,1092 1.872,1093 1.566,1094 1.508,1095 1.765,1096 1.832,1097 0.985,1098 1.817,1099 1.477,1100 1.43,1101 1.694,1102 1.715,1103 0.906,1104 1.699,1105 1.421,1106 1.367,1107 1.643,1108 1.699,1109 0.804,1110 1.685,1111 1.194,1112 1.155,1113 1.408,1114 1.528,1115 0.616,1116 1.477,1117 4.554,1118 5.861,1120 7.34,1122 8.904,1124 10.518,1126 40.766,1128 5.132,1129 9.497,1130 0.658,1131 9.138,1132 5.13,1134 -3.46,1136 -4.576,1139 50.216,1140 144.188,1141 311.05,1142 415.289,1143 470.508,1144 478.018,1145 480.773,1146 239.66,1147 8.264,1148 188.95,1149 188.95,1150 27,1151 12.808,1152 4.17,1153 3.585,1154 104.922,1155 222,1156 228,1157 0.215,1158 309.699,1159 574.38,1160 747.425,1161 55181,1162 3.7,1163 32.985,1164 0.733,1165 0.541,1166 30.485,1167 24.323,1168 21.4,1169 0.455,1170 0.306,1171 14.091,1172 20.229,1173 13.949,1174 11.47,1175 20.189,1176 14.368,1177 19.6,1178 0.306,1179 0.165,1180 17.605,1181 10.579,1182 14.625,1183 0.19,1184 0.096,1185 13.871,1186 7.374,1187 11.301,1188 0.12,1189 0.054,1190 10.547,1191 5.1,1192 9.322,1193 0.081,1194 0.031,1195 8.584,1196 3.53,1197 0.336,1198 137.316,1199 0.183,1200 39.027,1201 0.596,1202 222,1203 959.54,1204 263.312,1205 824.139,1206 1039.72,1207 756,1208 252,1209 691.612,1210 283.646,1211 670.72,1212 986.33,1213 628,1214 5.699} {0 CHEMBL1939876,1 1.64,2 15.03,3 3.903,4 15.236,5 121.372,6 8.118,7 0.583,8 4.123,9 4.227,10 3.748,11 3.647,12 5.347,13 3.657,14 4.619,15 4.763,16 4.12,17 4.019,18 5.927,19 4.017,20 4.816,21 4.985,22 4.152,23 4.124,24 6.068,25 4.097,26 4.891,27 5.067,28 4.089,29 4.097,30 6.147,31 4.064,32 4.828,33 5.037,34 3.981,35 4.024,36 6,37 3.975,38 4.789,39 4.993,40 3.962,41 3.967,42 5.983,43 3.932,44 4.719,45 4.916,46 3.872,47 3.912,48 5.917,49 3.861,50 4.671,51 4.894,52 3.788,53 3.85,54 5.784,55 3.786,56 0.15,57 0.803,58 9.553,59 4.777,60 15.293,61 5.518,62 0.501,63 1.256,64 18.355,65 7.576,66 56.884,67 9.403,68 0.553,69 1.464,70 23.862,71 9.478,72 54.755,73 11.843,74 0.678,75 1.503,76 27.179,77 9.91,78 82.696,79 11.937,80 0.539,81 1.423,82 26.763,83 9.469,84 69.338,85 12.303,86 0.585,87 1.364,88 25.857,89 8.828,90 71.547,91 11.217,92 0.611,93 1.285,94 23.674,95 8.259,96 77.306,97 10.539,98 0.497,99 1.211,100 23.306,101 8.156,102 49.839,103 11.028,104 43,105 51,106 0.266,107 0.634,108 0.789,109 0.867,110 0.875,111 0.875,112 3.531,113 0.858,114 -3.68,115 -3.65,116 -3.47,117 43.6,118 1,121 1,122 2,128 9,129 4,132 1,135 3,136 3,143 1,144 1,146 1,147 11,148 1,149 1,150 5,152 2,153 5,154 12,155 2,157 1,158 8,159 3,161 7,163 9,164 2,165 1,166 10,167 1,169 5,171 3,172 1,174 12,178 4,180 3,182 12,184 1,186 3,187 1,189 3,192 7,193 2,194 1,195 2,197 5,199 2,200 6,201 1,205 1,207 7,209 3,210 1,211 1,213 2,214 1,216 8,217 1,219 2089,220 22.041,221 22.041,222 22.041,223 22.041,224 22.041,225 19.296,226 17.528,227 12.83,228 22.412,229 17.698,230 17.698,231 17.698,232 17.698,233 17.698,234 13.294,235 17.061,236 6.007,237 18.169,238 4.141,239 1.873,240 0.924,241 0.441,242 0.391,243 0.391,244 4.222,246 1,247 1,248 1060,249 4.183,250 185.361,251 221.025,253 151.249,255 2.518,256 42.37,258 1,259 0.83,260 1,261 0.6,263 1,264 1,265 0.78,266 73,267 496,268 4.568,269 3.666,270 6.558,271 4.13,272 3.153,273 4.482,274 1.674,275 10.396,276 3.081,277 4.404,278 3.579,279 6.326,280 3.972,281 2.999,282 4.112,283 1.437,284 9.696,285 2.914,286 4.166,287 3.572,288 5.949,289 3.787,290 2.787,291 3.756,292 1.081,293 8.316,294 2.778,295 3.963,296 3.078,297 5.927,298 3.615,299 2.625,300 3.379,301 0.473,302 8.218,303 2.588,304 3.797,305 2.831,306 5.784,307 3.426,308 2.446,309 3.128,311 7.713,312 2.387,313 3.677,314 2.724,315 5.297,316 3.319,317 2.323,318 3.022,320 6.78,321 2.306,322 3.323,323 2.127,324 5.018,325 2.892,326 1.918,327 2.601,329 5.602,330 1.86,331 3.031,332 1.966,333 4.421,334 2.522,335 1.538,336 2.292,338 4.314,339 1.512,340 2.801,341 1.827,342 4.141,343 2.342,344 1.408,345 1.819,347 3.564,348 1.318,349 2.733,350 1.656,351 4.093,352 2.32,353 1.359,354 1.763,356 3.44,357 1.274,358 2.638,359 1.6,360 3.894,361 2.173,362 1.182,363 1.624,365 2.919,366 1.158,367 2.5,368 1.5,369 3.778,370 2,371 1,372 1.5,374 2.688,375 1,376 2.393,377 1.163,378 3.414,379 1.932,380 0.961,381 1.342,383 2.275,384 0.929,385 2.057,386 1,387 3.163,388 1.743,389 0.75,390 0.919,392 1.287,393 0.731,394 1.887,395 0.973,396 2.997,397 1.448,398 0.451,399 0.6,401 1.086,402 0.444,403 15.267,404 0.463,405 0.907,406 0.027,407 43.75,408 1.326,409 22.5,410 0.682,411 21.25,412 0.644,413 25.534,414 0.774,415 35.133,416 0.639,417 37.447,418 1.135,419 9.076,420 0.275,421 6.774,422 0.205,423 0.153,425 0.386,428 0.758,429 1.172,430 0.722,431 1.01,432 0.648,433 0.881,434 0.664,435 1.131,436 0.742,437 0.926,438 0.456,439 0.857,440 0.825,441 1.065,442 0.93,443 1.041,444 0.729,445 1.014,446 1.216,447 1.119,448 1.16,449 1.098,450 1.273,451 1.113,452 0.968,453 1.081,454 0.991,455 1.011,456 0.945,457 0.998,458 1.104,459 1.032,460 1.023,461 0.961,462 1.045,463 0.962,464 1.018,465 1.073,466 1.101,467 1.009,468 1.084,469 1.061,470 0.76,471 0.997,472 0.943,473 0.992,474 0.746,475 0.996,476 7.5,477 0.196,478 4.444,479 2.299,480 2.021,481 1.275,482 0.703,483 0.497,484 0.484,485 0.271,486 16876,487 54071,488 2.043,489 40,491 16,494 3,496 3,498 1.748,499 1.886,500 3.848,501 0.862,503 1,506 90.219,507 1.64,508 3.908,509 4.858,510 5.34,511 5.39,512 5.39,513 3.392,514 4.863,515 5.009,516 4.027,517 2126.46,518 8.752,519 33259.4,521 1,523 317.975,524 1.495,525 4.961,526 0.208,527 0.007,528 0.087,529 0.045,530 0.044,531 0.03,532 0.017,533 0.013,534 0.014,535 0.008,536 0.474,537 0.33,538 1,539 1.151,540 178.718,541 -0.059,542 -0.011,543 0.023,544 0.011,545 -0.089,546 0.031,547 0.136,548 -0.027,549 0.103,550 0.067,551 0.162,552 0.078,553 0.013,554 -0.009,555 -0.034,556 -0.052,557 0.021,558 -0.056,559 -0.178,560 -0.106,561 -0.208,562 -0.127,563 -0.18,564 -0.169,565 -0.115,566 -0.079,567 -0.02,568 -0.035,569 -0.068,570 -0.006,571 -0.151,572 -0.022,573 -0.041,574 -0.001,575 -0.093,576 0.008,577 -0.089,578 -0.05,579 -0.135,580 -0.048,581 -0.123,582 -0.098,583 0.019,584 0.003,585 0.039,586 -0.018,587 -0.013,588 0.014,589 2.665,590 5.605,591 0.606,592 43.137,593 1.018,594 1.123,595 2.449,596 5.999,597 0.675,598 3.611,599 3.951,600 4.22,601 4.454,602 4.663,603 4.796,604 4.898,605 5.05,606 5.17,607 5.257,608 8.506,609 0.662,610 446.5,611 3.611,612 5.165,613 6.019,614 6.899,615 7.773,616 8.657,617 9.54,618 10.428,619 11.315,620 12.206,621 7.3,624 1,625 2,626 1,628 2,629 9,630 1,631 1,632 6,633 1,634 21,635 1,636 1,637 1,641 55,642 24,643 2,644 36,645 58,646 24,647 17,648 5,649 7,650 3,651 4,652 5,653 1,659 20,660 4,662 3,665 3,666 3,668 1,670 22,671 7,672 3,673 9,677 4,678 0.75,679 5,681 1,683 1,685 2,686 2,688 1,700 1,702 3,705 2,708 33,712 1,713 2,714 1,715 1,724 9.1,726 1,727 3,729 1,731 17.5,732 10.517,733 7.25,734 3.223,735 4.086,736 1.505,737 0.975,738 6.516,739 12.174,740 3.922,741 4.554,742 5.168,743 5.757,744 6.277,745 6.683,746 7.083,747 7.549,748 7.91,749 8.279,750 1,751 51,752 12.197,753 5.256,754 8.04,755 22.558,756 18.217,757 2.54,758 83.833,759 1,760 223.651,761 144.556,762 53.236,763 129.118,766 144.556,767 352.769,768 53.236,769 17.222,770 24.709,771 85.286,772 147.587,773 44.448,774 7.658,775 223.651,777 223.651,778 197.792,779 129.118,782 188.338,783 164.431,785 54.853,786 126.276,787 16.663,789 223.651,790 182.354,791 144.556,794 223.651,795 42.048,796 104.284,797 34.796,798 145.781,799 223.651,800 182.354,801 144.556,803 0.586,804 0.343,805 0.174,806 0.094,807 24,808 12,809 0.138,810 8,811 1,812 1.1,813 4.442,814 296.68,815 0.1,816 20,817 162.465,820 22.616,821 9.508,822 4.936,823 1.642,824 163.792,825 15.392,826 4.319,827 3.045,828 3.191,829 1.622,830 77.48,831 550.561,832 49.5,835 35.521,836 -1.75,837 55.996,838 61.777,839 0.284,840 0.676,841 0.84,842 0.924,843 0.932,844 0.932,845 5.16,846 1.538,847 6.019,848 5.602,849 4.635,850 5.242,851 2.604,852 6.834,853 4.59,854 6.392,855 1.408,856 7.588,857 4.314,858 4.29,859 5.147,861 7.73,862 4.241,863 7.714,864 1.359,865 9.253,866 3.564,867 6.244,868 7.491,869 3.335,870 10.8,871 6.162,872 9.072,873 1.182,874 10.972,875 3.44,876 6.698,877 8.216,879 12.49,880 6.605,881 10.46,882 1,883 12.723,884 2.919,885 8.134,886 10.04,887 4.188,888 15.067,889 8.015,890 11.869,891 0.961,892 14.496,893 2.688,894 8.938,895 11.14,897 17.09,898 8.8,899 13.294,900 0.75,901 16.284,902 2.275,903 10.173,904 12.756,905 5.103,906 19.493,907 10.013,908 3.153,909 0.451,910 18.084,911 1.287,912 11.14,913 14.043,915 21.668,916 10.956,917 2.999,918 10.396,919 19.893,920 1.086,921 12.295,922 15.572,923 6.056,924 24.008,925 12.089,926 2.787,927 9.696,928 21.709,929 4.482,930 13.339,931 16.952,933 26.255,934 13.107,935 2.625,936 8.316,937 23.53,938 4.112,939 14.466,940 18.445,941 7.032,942 28.575,943 14.211,944 2.446,945 8.218,946 25.357,947 3.756,948 15.547,949 19.874,951 30.858,952 15.266,953 2.323,954 7.713,955 27.187,956 3.379,957 16.665,958 21.355,959 8.023,960 33.174,961 16.361,962 1.918,963 6.78,964 29.022,965 3.128,966 17.767,967 22.809,969 35.476,970 17.436,971 16245,972 29214,973 23.581,974 37.148,975 55.445,976 57.229,977 56.664,978 54.576,979 54.555,980 73.747,981 9.33,982 158.534,983 53.297,984 5.442,985 5.666,986 6.328,987 5.168,988 5.153,989 7.482,990 3.349,991 17.26,992 5.081,993 19.501,994 1.54,995 1.59,996 1.574,997 1.516,998 1.515,999 2.049,1000 0.259,1001 4.404,1002 1.48,1003 4.155,1004 4.187,1005 4.121,1006 4.065,1007 7.475,1008 4.074,1009 3.959,1010 3.996,1011 3.914,1012 3.879,1013 7.434,1014 3.878,1015 3.903,1016 3.942,1017 3.863,1018 3.738,1019 7.428,1020 3.767,1021 3.577,1022 3.609,1023 3.502,1024 3.371,1025 6.351,1026 3.395,1027 3.478,1028 3.529,1029 3.394,1030 3.253,1031 4.993,1032 3.27,1033 3.353,1034 3.409,1035 3.234,1036 3.186,1037 4.835,1038 3.187,1039 3.244,1040 3.26,1041 3.159,1042 2.982,1043 4.694,1044 3.017,1045 3.027,1046 3.097,1047 2.878,1048 2.822,1049 4.456,1050 2.812,1051 0.127,1052 0.102,1053 0.182,1054 0.115,1055 0.088,1056 4.568,1057 0.124,1058 3.666,1059 0.047,1060 6.558,1061 0.289,1062 4.13,1063 0.086,1064 3.153,1065 4.482,1066 1.674,1067 10.396,1068 3.081,1069 1.958,1070 1.937,1071 2.037,1072 2.037,1073 1.19,1074 2.037,1075 1.925,1076 1.902,1077 2.031,1078 2.018,1079 1.166,1080 2.022,1081 1.598,1082 1.57,1083 1.813,1084 1.84,1085 0.941,1086 1.815,1087 1.548,1088 1.522,1089 1.699,1090 1.79,1091 0.796,1092 1.754,1093 1.481,1094 1.405,1095 1.649,1096 1.722,1097 0.727,1098 1.709,1099 1.427,1100 1.353,1101 1.633,1102 1.643,1103 0.699,1104 1.657,1105 1.273,1106 1.237,1107 1.459,1108 1.49,1109 0.591,1110 1.468,1111 1.012,1112 0.965,1113 1.195,1114 1.299,1115 0.273,1116 1.261,1117 4.29,1118 5.624,1119 3.045,1120 7.135,1121 5.416,1122 8.724,1123 7.526,1124 10.356,1125 3.506,1129 8.968,1130 0.545,1131 2.795,1132 5.038,1139 36.401,1140 90.219,1141 214.942,1142 267.181,1143 293.71,1144 296.465,1145 296.465,1146 69.936,1147 8.087,1148 126.31,1149 126.31,1150 22,1151 12.735,1152 4.644,1153 3.858,1154 54.721,1155 167,1156 171,1157 0.158,1158 223.443,1159 386.99,1160 536.96,1161 40595,1163 23.535,1164 0.713,1165 0.548,1166 23.535,1167 18.085,1168 15.851,1169 0.44,1170 0.286,1171 10.131,1172 15.134,1173 9.882,1174 8.202,1175 15.851,1176 10.302,1177 14.543,1178 0.285,1179 0.146,1180 14.543,1181 7.429,1182 12.195,1183 0.182,1184 0.077,1185 12.195,1186 5.178,1187 9.71,1188 0.114,1189 0.041,1190 9.71,1191 3.497,1192 7.602,1193 0.072,1194 0.022,1195 7.602,1196 2.288,1197 0.255,1198 100.251,1199 0.206,1200 31.309,1201 0.411,1202 174,1203 585.048,1204 194.42,1205 557.838,1206 749.8,1207 518,1208 205,1209 545.152,1210 224.763,1211 548.706,1212 802.22,1213 515,1214 4.796} {0 CHEMBL1956115,1 1.596,2 10.333,3 2.603,4 6.776,5 93.269,6 7.722,7 0.48,8 3.877,9 3.972,10 3.619,11 3.49,12 5.012,13 3.417,14 4.399,15 4.539,16 3.891,17 3.885,18 5.667,19 3.794,20 4.724,21 4.881,22 4.032,23 4.057,24 5.974,25 3.959,26 4.904,27 5.097,28 3.914,29 4.029,30 6.263,31 3.912,32 4.882,33 5.14,34 3.709,35 3.915,36 6.089,37 3.767,38 4.588,39 4.825,40 3.596,41 3.76,42 5.692,43 3.618,44 4.44,45 4.657,46 3.435,47 3.586,48 5.651,49 3.465,50 4.306,51 4.554,52 3.139,53 3.366,54 5.397,55 3.226,56 0.138,57 0.613,58 11.801,59 5.027,60 22.374,61 5.721,62 0.262,63 0.978,64 20.293,65 8.55,66 63.049,67 9.999,68 0.398,69 1.288,70 30.482,71 11.163,72 94.652,73 13.093,74 0.836,75 1.427,76 35.334,77 11.735,78 171.495,79 14.267,80 0.807,81 1.331,82 35.64,83 11.509,84 158.578,85 14.827,86 0.312,87 1.048,88 26.219,89 9.462,90 61.591,91 11.915,92 0.265,93 0.905,94 21.797,95 7.726,96 53.136,97 9.643,98 0.3,99 0.753,100 18.661,101 6.419,102 59.654,103 8.333,104 45,105 36,106 0.276,107 0.588,108 0.716,109 0.795,110 0.829,111 0.829,112 3.228,113 1.134,114 -4.1,115 -4.04,116 -3.83,117 40,118 1,119 2,121 1,124 1,128 9,129 3,136 1,145 1,147 15,149 1,152 1,154 20,158 6,159 1,161 2,163 19,165 2,166 3,167 2,169 3,171 14,174 3,176 2,178 2,180 12,182 6,186 3,189 9,192 6,195 4,197 6,200 3,205 3,207 4,210 3,215 2,216 3,219 758,220 15.441,221 15.441,222 15.441,223 15.441,224 15.441,225 13.573,226 9.978,227 8.884,228 15.733,229 12.193,230 12.193,231 12.193,232 12.193,233 12.193,234 9.315,235 6.559,236 4.048,237 12.621,238 3.895,239 2.095,240 1.351,241 0.895,242 0.7,243 0.7,244 3.882,245 1,246 1,247 1,248 503,249 4.416,251 183.244,255 1.694,256 35.088,257 1,258 1,259 1,260 1,261 0.8,262 0.5,263 1,264 1,265 0.9,266 52.5,267 248,268 5.052,269 5.464,270 8.386,271 4.69,272 3.79,273 4.702,274 3.364,275 15.796,276 3.402,277 4.244,278 3.888,279 6.143,280 3.869,281 2.869,282 3.889,283 1.919,284 9.054,285 2.868,286 3.853,287 3.267,288 5.999,289 3.44,290 2.454,291 3.305,292 0.562,293 7.668,294 2.426,295 3.774,296 2.898,297 5.33,298 3.33,299 2.36,300 3.086,302 6.896,303 2.232,304 3.267,305 2.659,306 4.537,307 2.824,308 1.824,309 2.585,311 4.527,312 1.824,313 2.79,314 2.549,315 4.428,316 2.493,317 1.498,318 1.783,320 3.847,321 1.477,322 2.633,323 1.851,324 3.534,325 2.172,326 1.173,327 1.666,329 2.717,330 1.17,331 2.5,332 1.241,333 3.446,334 2,335 1,336 1.5,338 2.275,339 1,340 2.5,341 1,342 3.414,343 2,344 1,345 1.5,347 2.136,348 1,349 1.733,350 1,351 3.247,352 1.587,353 0.595,354 0.655,356 1.377,357 0.589,358 1.458,359 0.986,360 2.967,361 1.192,362 0.137,363 0.162,365 0.185,366 0.143,367 1,368 0.582,369 2.682,370 0.675,371 -0.325,372 -0.403,374 -0.763,375 -0.324,376 0.996,377 -0.018,378 2.344,379 0.183,380 -0.817,381 -1.034,383 -1.874,384 -0.778,385 0.594,386 -0.162,387 2.193,389 -1,390 -1.184,392 -2.347,393 -0.817,394 0.5,395 -0.412,396 2,398 -1,399 -1.375,401 -2.881,402 -1,403 11.567,404 0.482,405 0.81,406 0.034,407 30.25,408 1.26,409 16.5,410 0.688,411 13.75,412 0.573,413 20.118,414 0.838,415 26.833,416 0.596,417 23.482,418 0.978,419 5.829,420 0.243,421 5.447,422 0.227,423 0.202,424 0.115,425 0.173,428 0.506,429 1.047,430 0.884,431 1.132,432 0.676,433 0.968,434 0.561,435 1.026,436 1.049,437 1.123,438 0.583,439 0.984,440 0.909,441 1.25,442 1.222,443 1.326,444 1.006,445 1.162,446 1.188,447 1.071,448 1.172,449 1.089,450 1.272,451 1.174,452 1.069,453 0.686,454 0.853,455 0.676,456 1.021,457 0.811,458 0.854,459 0.95,460 0.903,461 0.936,462 0.779,463 0.932,464 1.031,465 1.125,466 1.018,467 1.083,468 1.009,469 1.09,470 1.109,471 0.885,472 0.829,473 0.803,474 1.092,475 0.951,476 6.5,477 0.161,478 4.444,479 1.813,480 0.933,481 0.896,482 0.508,483 0.247,484 0.271,485 0.241,486 5929,487 19092,488 1.906,489 46.7,490 2,491 12,494 2,496 5,498 1.666,499 1.735,500 3.27,501 0.296,502 1,503 1,504 1,506 71.836,507 1.596,508 3.397,509 4.141,510 4.597,511 4.792,512 4.792,513 2.636,514 3.637,515 4.558,516 3.487,517 962.371,518 7.849,519 11545.5,521 1,522 1,523 247.133,524 1.73,525 4.463,526 0.26,527 0.009,528 0.123,529 0.046,530 0.029,531 0.033,532 0.02,533 0.012,534 0.018,535 0.016,536 0.567,537 0.33,538 1,539 1.754,540 114.97,541 0.125,542 0.149,543 0.185,544 0.079,545 -0.102,546 0.071,547 0.151,548 0.08,549 0.006,550 0.03,551 0.145,552 0.048,553 0.01,554 -0.201,555 -0.136,556 -0.209,557 -0.019,558 -0.156,559 0.004,560 -0.082,561 -0.218,562 -0.155,563 -0.027,564 -0.24,566 0.218,567 0.058,568 0.197,569 0.007,570 0.145,571 -0.033,572 -0.009,573 0.058,574 0.039,575 0.002,576 0.073,577 -0.088,578 -0.161,579 -0.089,580 -0.142,581 -0.043,582 -0.118,583 -0.118,584 0.019,585 0.006,586 0.043,587 -0.121,588 0.006,589 4.586,590 4.942,591 0.5,592 20.549,593 1.007,594 1.12,595 2.866,596 8.212,597 0.669,598 3.258,599 3.611,600 3.829,601 3.871,602 3.951,603 3.912,604 3.97,605 4.007,606 4.174,607 4.205,608 6.198,609 0.63,610 347.47,611 3.258,612 4.812,613 5.652,614 6.529,615 7.393,616 8.272,617 9.143,618 10.023,619 10.897,620 11.778,621 2.2,624 1,629 9,632 3,634 12,641 45,642 15,643 2,644 25,645 46,646 18,647 12,648 3,649 9,651 2,652 2,653 1,657 2,659 13,660 5,661 1,662 3,664 1,665 3,666 1,667 1,668 1,670 21,671 5,672 2,673 6,674 1,677 1,678 1,679 4,686 2,696 1,700 1,702 2,704 1,705 2,708 24,710 1,712 1,713 2,714 1,719 1,724 8.9,725 1,727 3,731 13.833,732 8.367,733 5.299,734 2.46,735 2.309,736 1.355,737 0.914,738 5.553,739 8.814,740 3.555,741 4.159,742 4.585,743 4.98,744 5.413,745 5.523,746 5.916,747 6.204,748 6.552,749 6.821,750 0.857,751 39,752 9.156,753 4.212,754 8.139,755 16.623,756 13.744,757 2.639,758 63.333,759 1,760 223.651,761 126.678,762 14.473,763 112.264,765 6.046,766 120.632,767 335.914,768 14.473,769 16.016,770 19.542,771 134.138,772 74.163,773 9.557,775 223.651,777 223.651,778 135.105,779 112.264,780 6.046,782 164.795,783 128.313,784 42.806,785 28.367,786 106.738,787 6.046,789 223.651,790 126.736,791 126.678,793 6.046,794 223.651,795 19.33,796 101.302,797 14.473,798 112.264,799 223.651,800 126.736,801 126.678,803 0.595,804 0.354,805 0.158,806 0.073,807 16,808 8,809 0.13,810 6,812 1,813 3.459,814 183.389,816 12,817 96.039,819 1,820 18.34,821 7.266,822 4.11,824 126.736,825 17.689,828 3.096,830 57.278,831 477.065,832 34,834 -3.669,835 35.684,836 -0.911,837 45.323,838 50.408,839 0.291,840 0.619,841 0.754,842 0.837,843 0.872,844 0.872,845 4.804,846 1,847 5.727,848 2.717,849 4.29,850 4.844,851 3.424,852 6.658,853 4.219,854 6.07,855 1,856 7.398,857 2.275,858 4.29,859 5.007,860 1.593,861 8.284,862 4.067,863 7.449,864 0.595,865 9.217,866 2.136,867 6.098,868 7.154,869 5.604,870 11.37,871 5.882,872 8.878,873 0.137,874 11.133,875 1.377,876 6.929,877 8.104,878 3.717,879 13.824,880 6.528,881 10.347,882 -0.325,883 13.113,884 0.185,885 8.353,886 9.838,887 7.961,888 16.65,889 7.917,890 11.847,891 -0.817,892 15.137,893 -0.763,894 9.498,895 11.109,896 6.1,897 19.328,898 8.889,899 13.371,900 -1,901 17.191,902 -1.874,903 10.831,904 12.71,905 10.36,906 22.104,907 10.143,908 3.79,909 -1,910 19.266,911 -2.347,912 12.09,913 14.123,914 8.637,915 24.841,916 11.251,917 2.869,918 15.796,919 21.356,920 -2.881,921 13.409,922 15.679,923 12.771,924 27.605,925 12.467,926 2.454,927 9.054,928 23.457,929 4.702,930 14.711,931 17.159,932 11.214,933 30.358,934 13.633,935 2.36,936 7.668,937 25.565,938 3.889,939 16.032,940 18.701,941 15.185,942 33.119,943 14.84,944 1.824,945 6.896,946 27.679,947 3.305,948 17.35,949 20.213,950 13.785,951 35.877,952 16.033,953 1.498,954 4.527,955 29.796,956 3.086,957 18.676,958 21.752,959 17.6,960 38.637,961 17.242,962 1.173,963 3.847,964 31.916,965 2.585,966 20.001,967 23.28,968 16.339,969 41.396,970 18.447,971 6066,972 11006,973 15.485,974 30.085,975 37.688,976 42.043,977 39.502,978 37.631,979 37.397,980 49.667,981 11.689,982 112.954,983 36.262,984 5.942,985 7.464,986 8.188,987 5.699,988 5.79,989 7.702,990 6.69,991 24.5,992 5.402,993 14.818,994 1.508,995 1.682,996 1.58,997 1.505,998 1.496,999 1.987,1000 0.468,1001 4.518,1002 1.45,1003 4.078,1004 4.07,1005 4.737,1006 4.074,1007 7.715,1008 3.989,1009 3.979,1010 3.975,1011 3.948,1012 3.949,1013 7.429,1014 3.9,1015 3.762,1016 3.792,1017 3.692,1018 3.706,1019 6.999,1020 3.691,1021 3.469,1022 3.488,1023 3.476,1024 3.308,1025 6.493,1026 3.272,1027 3.267,1028 3.324,1029 3.138,1030 3.047,1031 4.836,1032 3.058,1033 3.049,1034 3.146,1035 2.848,1036 2.755,1037 4.604,1038 2.78,1039 2.854,1040 2.925,1041 2.687,1042 2.735,1043 4.058,1044 2.715,1045 2.854,1046 2.925,1047 2.687,1048 2.735,1049 3.767,1050 2.715,1051 0.202,1052 0.219,1053 0.335,1054 0.188,1055 0.152,1056 5.052,1057 0.188,1058 5.464,1059 0.135,1060 8.386,1061 0.632,1062 4.69,1063 0.136,1064 3.79,1065 4.702,1066 3.364,1067 15.796,1068 3.402,1069 2.008,1070 1.991,1071 2.108,1072 2.074,1073 1.399,1074 2.1,1075 1.905,1076 1.921,1077 1.97,1078 1.992,1079 1.197,1080 2.034,1081 1.762,1082 1.74,1083 1.839,1084 1.849,1085 1.019,1086 1.877,1087 1.383,1088 1.351,1089 1.568,1090 1.592,1091 0.799,1092 1.624,1093 1.192,1094 1.138,1095 1.506,1096 1.481,1097 0.631,1098 1.462,1099 0.979,1100 0.898,1101 1.248,1102 1.342,1103 0.291,1104 1.368,1105 0.886,1106 0.821,1107 1.181,1108 1.062,1109 0.218,1110 1.107,1111 0.886,1112 0.821,1113 1.181,1114 1.062,1115 0.218,1116 1.107,1117 3.932,1118 5.273,1120 6.825,1122 8.465,1124 10.148,1125 2.326,1129 8.829,1130 0.495,1131 1.461,1136 -1.667,1139 28.336,1140 71.836,1141 152.855,1142 186.339,1143 206.869,1144 215.624,1145 215.624,1146 73.207,1147 6.504,1148 83.47,1149 91.85,1150 12,1151 12.315,1152 4,1153 3.322,1154 48.657,1155 91,1156 84,1157 0.269,1158 182.064,1159 319.63,1160 435.997,1161 4895,1163 17.795,1164 0.741,1165 0.604,1166 18.045,1167 14.507,1168 11.276,1169 0.451,1170 0.378,1171 7.657,1172 10.168,1173 7.205,1174 6.021,1175 12.151,1176 9.454,1177 10.694,1178 0.297,1179 0.235,1180 12.105,1181 8.452,1182 8.693,1183 0.193,1184 0.142,1185 9.736,1186 6.378,1187 5.869,1188 0.125,1189 0.071,1190 6.513,1191 3.318,1192 4.159,1193 0.082,1194 0.038,1195 4.471,1196 1.955,1197 0.424,1198 79.248,1199 0.254,1200 23.577,1201 0.727,1202 122,1203 384.55,1204 167.341,1205 392.815,1206 509.89,1207 356,1208 142,1209 333.14,1210 194.044,1211 371.799,1212 525.77,1213 344,1214 5} {0 CHEMBL204357,1 1.453,2 14.105,3 4.805,4 23.089,5 146.46,6 6.63,7 0.3,8 4.423,9 4.552,10 3.865,11 3.92,12 5.482,13 3.877,14 4.992,15 5.184,16 4.191,17 4.32,18 5.961,19 4.24,20 5.352,21 5.58,22 4.357,23 4.522,24 6.341,25 4.424,26 5.48,27 5.728,28 4.386,29 4.546,30 6.471,31 4.454,32 5.47,33 5.691,34 4.473,35 4.59,36 6.667,37 4.508,38 5.561,39 5.795,40 4.45,41 4.656,42 6.659,43 4.553,44 5.6,45 5.848,46 4.36,47 4.653,48 6.609,49 4.525,50 5.575,51 5.845,52 4.302,53 4.599,54 6.548,55 4.449,56 0.106,57 1.086,58 18.404,59 7.723,60 16.384,61 10.623,62 0.311,63 1.739,64 33.462,65 12.799,66 42.587,67 18.25,68 0.588,69 2.256,70 49.318,71 17.089,72 98.666,73 24.698,74 0.709,75 2.422,76 57.27,77 17.553,78 112.737,79 25.971,80 1.119,81 2.456,82 56.942,83 17.816,84 183.278,85 25.757,86 0.926,87 2.645,88 62.007,89 19.733,90 167.593,91 28.64,92 0.985,93 2.684,94 64.711,95 20.395,96 162.665,97 29.826,98 0.94,99 2.58,100 62.731,101 20.566,102 144.632,103 30.398,104 72,105 53,106 0.224,107 0.515,108 0.718,109 0.854,110 0.875,111 0.881,112 3.668,113 1.025,114 -4.49,115 -4.41,116 -4.16,117 38,118 3,119 6,120 3,122 2,123 1,128 9,129 1,130 2,136 3,145 1,147 18,149 1,150 8,152 2,153 3,154 17,158 13,159 3,161 6,163 10,166 11,169 7,171 11,173 4,174 11,176 2,177 1,178 8,180 19,182 9,184 1,185 1,186 7,189 21,191 1,192 10,195 4,197 17,199 2,200 13,203 3,205 3,207 13,210 7,213 2,215 2,216 13,219 2958,220 25.499,221 25.499,222 25.499,223 25.499,224 25.499,225 23.658,226 26.87,227 15.481,228 25.778,229 19.659,230 19.659,231 19.659,232 19.659,233 19.659,234 16.757,235 31.346,236 7.208,237 20.028,238 4.851,239 2.958,240 1.64,241 0.757,242 0.621,243 0.586,244 4.348,247 1,248 1103,249 5,251 270.372,252 162.396,255 2.321,256 49.259,258 0.75,259 0.67,260 0.67,261 0.9,262 1,263 0.67,264 0.5,265 0.74,266 82.5,267 536,268 4.227,269 3.972,270 6.64,271 4.1,272 3.099,273 3.715,274 2.071,275 10.581,276 3.1,277 4.151,278 3.86,279 6.403,280 3.944,281 2.966,282 3.419,283 1.997,284 9.74,285 2.89,286 4.049,287 3.664,288 5.701,289 3.694,290 2.737,291 3.367,292 1.897,293 8.038,294 2.627,295 3.845,296 3.164,297 5.586,298 3.445,299 2.473,300 3.229,301 0.86,302 7.265,303 2.402,304 3.644,305 3.096,306 5.384,307 3.372,308 2.367,309 2.812,310 0.76,311 6.891,312 2.358,313 3.348,314 2.765,315 5.138,316 3.137,317 2.162,318 2.588,319 0.589,320 6.152,321 2.11,322 3.171,323 2.407,324 4.799,325 2.994,326 2.002,327 2.188,328 0.242,329 5.349,330 1.968,331 2.962,332 2.342,333 4.633,334 2.778,335 1.812,336 2.044,337 0.042,338 4.924,339 1.74,340 2.854,341 2.147,342 4.256,343 2.598,344 1.591,345 1.945,347 3.622,348 1.598,349 2.716,350 2.021,351 3.915,352 2.53,353 1.522,354 1.729,356 3.413,357 1.525,358 2.683,359 2.018,360 3.611,361 2.397,362 1.416,363 1.67,365 3.044,366 1.384,367 2.648,368 1.527,369 3.591,370 2.178,371 1.184,372 1.658,374 2.616,375 1.175,376 2.5,377 1.382,378 3.485,379 2.083,380 1.078,381 1.5,383 2.344,384 1.078,385 2.18,386 1.34,387 3.247,388 2,389 1,390 1.138,392 2.136,393 1,394 1.927,395 1.216,396 3.194,397 1.588,398 0.57,399 0.673,401 1.3,402 0.573,403 17.867,404 0.47,405 0.856,406 0.023,407 40,408 1.053,409 17,410 0.447,411 23,412 0.605,413 45.77,414 1.204,415 43.933,416 0.556,417 35.033,418 0.922,419 7.351,420 0.193,421 10.965,422 0.289,423 0.159,425 0.302,428 0.699,429 1.331,430 0.917,431 1.206,432 0.604,433 1.109,434 0.637,435 1.232,436 0.942,437 1.188,438 0.538,439 1.12,440 0.897,441 1.124,442 0.955,443 1.085,444 0.825,445 1.036,446 1.301,447 1.005,448 0.993,449 0.919,450 1.347,451 0.902,452 1.245,453 0.985,454 1.069,455 0.961,456 1.333,457 0.98,458 1.295,459 1.025,460 1.109,461 1.002,462 1.474,463 1.019,464 1.318,465 0.999,466 1.154,467 0.988,468 1.428,469 1.034,470 0.892,471 0.986,472 0.966,473 0.998,474 0.87,475 0.997,476 7.5,477 0.254,478 3.556,479 2.938,480 2.268,481 1.305,482 0.945,483 0.677,484 0.495,485 0.348,486 21235,487 52508,488 1.979,489 51.9,490 18,491 14,494 3,495 2,496 4,498 1.79,499 1.839,500 3.732,501 0.738,506 114.768,507 1.453,508 3.345,509 4.663,510 5.547,511 5.683,512 5.718,513 3.198,514 4.774,515 5.219,516 3.957,517 2781.94,518 9.209,519 46862.1,523 497.999,524 1.455,525 5.168,526 0.188,527 0.006,528 0.067,529 0.049,530 0.037,531 0.02,532 0.015,533 0.012,534 0.009,535 0.007,536 0.41,537 0.17,538 0.75,539 1.718,540 211.67,541 0.026,542 -0.029,543 0.03,544 0.006,545 -0.008,546 0.015,547 0.102,548 -0.06,549 0.01,550 -0.079,551 0.055,552 -0.055,553 0.052,554 -0.071,555 0.028,556 -0.058,557 0.033,558 -0.025,559 -0.123,560 -0.002,561 0.029,562 0.036,563 -0.107,564 0.056,565 0.051,566 0.063,567 -0.031,568 0.018,569 0.078,570 -0.016,571 -0.095,572 -0.005,573 -0.088,574 -0.023,575 -0.084,576 -0.048,577 -0.14,578 -0.011,579 -0.138,580 -0.024,581 -0.143,582 -0.072,583 0.07,584 -0.032,585 0.018,586 -0.035,587 0.061,588 -0.022,589 2.223,590 6.552,591 0.5,592 45.834,593 0.997,594 1.132,595 3.258,596 10.612,597 0.63,598 3.714,599 3.989,600 4.205,601 4.431,602 4.615,603 4.615,604 4.644,605 4.754,606 4.828,607 4.875,608 8.358,609 0.59,610 523.74,611 3.714,612 5.231,613 6.052,614 6.909,615 7.751,616 8.613,617 9.464,618 10.327,619 11.181,620 12.045,621 3.8,624 3,629 9,632 3,634 12,639 1,641 79,642 15,643 2,644 40,645 81,646 30,647 12,648 3,649 9,651 3,652 3,653 3,654 4,657 7,659 15,660 15,661 3,662 3,665 3,666 3,670 41,671 8,672 3,673 8,677 3,678 1,679 5,686 2,687 1,693 1,694 1,696 1,700 1,702 3,705 3,708 38,712 1,713 8,714 2,715 1,717 4,718 1,724 6.3,725 1,727 3,729 1,731 20.667,732 14.4,733 8.722,734 5.203,735 2.184,736 1.281,737 0.908,738 11.782,739 9.961,740 3.912,741 4.357,742 4.754,743 5.163,744 5.596,745 5.571,746 5.818,747 6.199,748 6.467,749 6.675,750 1,751 60,752 14.273,753 6.056,754 7.838,755 27.178,756 22.173,757 2.338,758 88.833,760 447.302,761 158.967,762 35.608,763 129.24,766 158.967,767 576.542,768 35.608,769 26.476,770 55.026,771 128.092,772 89.549,773 24.672,775 447.302,777 447.302,778 194.575,779 129.24,782 400.217,783 133.519,784 42.806,785 81.502,786 113.073,789 447.302,790 164.848,791 158.967,794 447.302,795 47.205,796 114.886,797 32.483,798 129.24,799 447.302,800 164.848,801 158.967,803 0.564,804 0.325,805 0.181,806 0.105,807 20,808 11,809 0.148,810 12,812 1,813 4.61,814 354.025,816 19,817 193.421,820 29.823,821 15.013,822 8.924,824 164.848,825 17.219,828 2.381,830 75.289,831 771.117,832 49,835 39.429,836 -0.981,837 78.73,838 89.431,839 0.23,840 0.531,841 0.74,842 0.88,843 0.902,844 0.907,845 5.142,846 1.812,847 6.019,848 5.349,849 4.673,850 5.043,851 3.202,852 6.788,853 4.637,854 6.287,855 1.591,856 7.553,857 4.924,858 4.205,859 4.677,860 2.575,861 7.624,862 4.156,863 7.551,864 1.522,865 9.19,866 3.622,867 6.221,868 6.992,869 4.2,870 10.719,871 6.144,872 8.843,873 1.416,874 10.888,875 3.413,876 6.567,877 7.382,878 4.271,879 12.394,880 6.483,881 10.166,882 1.184,883 12.626,884 3.044,885 8.043,886 9.213,887 5.42,888 15.004,889 7.936,890 11.509,891 1.078,892 14.392,893 2.616,894 8.777,895 9.949,896 5.792,897 17.041,898 8.666,899 12.869,900 1,901 16.179,902 2.344,903 10.03,904 11.573,905 6.73,906 19.477,907 9.901,908 3.099,909 0.57,910 17.983,911 2.136,912 10.955,913 12.493,914 7.251,915 21.677,916 10.824,917 2.966,918 10.581,919 19.799,920 1.3,921 12.114,922 14.005,923 8.081,924 24.05,925 11.971,926 2.737,927 9.74,928 21.625,929 3.715,930 13.132,931 15.036,932 8.683,933 26.324,934 12.987,935 2.473,936 8.038,937 23.46,938 3.419,939 14.254,940 16.479,941 9.457,942 28.674,943 14.102,944 2.367,945 7.265,946 25.302,947 3.367,948 15.317,949 17.585,950 10.103,951 30.983,952 15.164,953 2.162,954 6.891,955 27.15,956 3.229,957 16.427,958 18.981,959 10.847,960 33.327,961 16.27,962 2.002,963 6.152,964 29.003,965 2.812,966 17.513,967 20.141,968 11.519,969 35.653,970 17.355,971 21040,972 33237,973 25.948,974 49.756,975 58.43,976 63.076,977 60.711,978 57.743,979 57.55,980 69.058,981 16.916,982 157.968,983 56.645,984 5.214,985 5.972,986 6.442,987 5.159,988 5.099,989 6.715,990 3.641,991 17.686,992 5.1,993 22.267,994 1.461,995 1.577,996 1.518,997 1.444,998 1.439,999 1.726,1000 0.423,1001 3.949,1002 1.416,1003 4.003,1004 4.039,1005 3.934,1006 3.9,1007 7.436,1008 3.903,1009 3.903,1010 3.935,1011 3.825,1012 3.785,1013 7.427,1014 3.786,1015 3.85,1016 3.889,1017 3.769,1018 3.774,1019 7.422,1020 3.767,1021 3.784,1022 3.826,1023 3.688,1024 3.66,1025 6.493,1026 3.658,1027 3.635,1028 3.703,1029 3.477,1030 3.496,1031 4.937,1032 3.478,1033 3.474,1034 3.542,1035 3.336,1036 3.279,1037 4.674,1038 3.278,1039 3.396,1040 3.455,1041 3.256,1042 3.156,1043 4.303,1044 3.164,1045 3.331,1046 3.397,1047 3.197,1048 3.134,1049 4.234,1050 3.142,1051 0.106,1052 0.099,1053 0.166,1054 0.102,1055 0.077,1056 4.227,1057 0.093,1058 3.972,1059 0.052,1060 6.64,1061 0.265,1062 4.1,1063 0.077,1064 3.099,1065 3.715,1066 2.071,1067 10.581,1068 3.1,1069 1.928,1070 1.907,1071 2.06,1072 2.039,1073 1.426,1074 2.04,1075 1.867,1076 1.826,1077 2.039,1078 2.02,1079 1.323,1080 2.029,1081 1.844,1082 1.814,1083 1.978,1084 1.94,1085 1.201,1086 1.953,1087 1.712,1088 1.653,1089 1.953,1090 1.884,1091 1.194,1092 1.909,1093 1.655,1094 1.589,1095 1.933,1096 1.834,1097 1.048,1098 1.87,1099 1.603,1100 1.549,1101 1.785,1102 1.813,1103 1.01,1104 1.811,1105 1.412,1106 1.348,1107 1.681,1108 1.654,1109 0.901,1110 1.66,1111 1.184,1112 1.136,1113 1.424,1114 1.522,1115 0.628,1116 1.476,1117 4.394,1118 5.68,1120 7.146,1121 2.708,1122 8.696,1123 5.198,1124 10.293,1125 5.928,1129 9.273,1130 4.897,1131 4.706,1132 5.951,1134 -1.763,1135 1.793,1139 46.647,1140 114.768,1141 264.284,1142 368.411,1143 438.224,1144 448.979,1145 451.734,1146 138.362,1147 7.777,1148 107.97,1149 107.97,1150 19,1151 12.595,1152 4,1153 3.322,1154 80.266,1155 190,1156 208,1157 0.202,1158 290.378,1159 521.87,1160 700.282,1161 28456,1163 27.493,1164 0.723,1165 0.597,1166 27.493,1167 22.69,1168 18.316,1169 0.458,1170 0.342,1171 13.522,1172 17.677,1173 13.143,1174 11.033,1175 18.316,1176 13.669,1177 15.882,1178 0.3,1179 0.198,1180 15.882,1181 10.487,1182 12.502,1183 0.189,1184 0.105,1185 12.502,1186 6.942,1187 10.124,1188 0.122,1189 0.061,1190 10.124,1191 5.098,1192 8.325,1193 0.083,1194 0.036,1195 8.325,1196 3.601,1197 0.32,1198 114.693,1199 0.196,1200 34.544,1201 0.545,1202 186,1203 537.403,1204 204.146,1205 511.604,1206 676.09,1207 474,1208 212,1209 479.749,1210 230.426,1211 480.147,1212 692.13,1213 451,1214 6.721} {0 CHEMBL234034,1 1.541,2 12.677,3 1.917,4 3.675,5 115.823,6 7.491,7 0.5,8 4.124,9 4.234,10 3.686,11 3.67,12 5.272,13 3.653,14 4.656,15 4.809,16 4.032,17 4.074,18 5.745,19 4.032,20 4.95,21 5.142,22 4.136,23 4.238,24 6.061,25 4.172,26 5.047,27 5.266,28 4.098,29 4.224,30 6.155,31 4.14,32 5.001,33 5.215,34 4.02,35 4.18,36 6.122,37 4.096,38 4.933,39 5.149,40 3.948,41 4.136,42 6.116,43 4.035,44 4.85,45 5.081,46 3.8,47 4.045,48 5.951,49 3.925,50 4.742,51 5,52 3.599,53 3.826,54 5.753,55 3.705,56 0.111,57 0.789,58 11.304,59 5.235,60 15.521,61 6.589,62 0.284,63 1.274,64 21.126,65 8.865,66 35.461,67 11.479,68 0.429,69 1.647,70 30.227,71 11.404,72 77.906,73 15.281,74 0.723,75 1.723,76 35.447,77 12.346,78 91.981,79 16.805,80 0.658,81 1.598,82 34.083,83 12.044,84 92.27,85 15.964,86 0.639,87 1.49,88 31.64,89 11.885,90 107.043,91 15.945,92 0.392,93 1.4,94 28.871,95 11.064,96 74.79,97 15.247,98 0.317,99 1.207,100 27.169,101 9.586,102 52.71,103 13.465,104 19,105 47,106 0.252,107 0.619,108 0.799,109 0.883,110 0.889,111 0.889,112 3.471,113 0.91,114 -3.29,115 -3.28,116 -3.14,117 42.9,118 1,119 2,120 1,122 2,123 1,128 9,129 4,132 2,136 2,145 1,147 14,150 8,152 2,153 4,154 19,158 5,159 1,161 3,163 16,165 1,166 7,167 3,168 1,169 3,171 18,174 2,176 1,177 1,178 2,180 18,181 2,182 5,184 1,186 2,189 16,192 7,193 1,195 4,197 11,200 7,205 6,207 7,210 3,215 4,216 3,219 1508,220 21.093,221 21.093,222 21.093,223 21.093,224 21.093,225 18.836,226 24.183,227 12.459,228 21.369,229 16.725,230 16.725,231 16.725,232 16.725,233 16.725,234 13.214,235 30.53,236 5.835,237 17.054,238 4.266,239 2.021,240 0.916,241 0.406,242 0.371,243 0.371,244 4.168,246 1,247 1,248 850,249 3.606,251 386.359,254 149.469,255 2.073,256 34.904,258 1,259 1,260 1,261 0.8,262 0.5,263 1,264 1,265 0.9,266 67.5,267 393,268 4.535,269 3.944,270 6.54,271 4.073,272 3.086,273 4.472,274 2.071,275 10.357,276 3.049,277 4.214,278 3.574,279 6.462,280 4.003,281 3.014,282 3.771,283 1.058,284 9.99,285 2.975,286 4.052,287 3.224,288 6.024,289 3.784,290 2.777,291 3.223,292 0.86,293 8.571,294 2.79,295 3.752,296 3.208,297 5.453,298 3.413,299 2.414,300 3.104,301 0.68,302 7.204,303 2.406,304 3.564,305 2.725,306 5.086,307 3.137,308 2.158,309 2.983,310 0.589,311 5.962,312 2.111,313 3.409,314 2.65,315 5.017,316 3.046,317 2.057,318 2.776,320 5.911,321 2.021,322 3.235,323 2.336,324 5.014,325 2.923,326 1.936,327 2.301,329 5.652,330 1.904,331 2.889,332 2.165,333 4.156,334 2.443,335 1.526,336 2.077,338 3.676,339 1.402,340 2.809,341 2.074,342 3.829,343 2.393,344 1.4,345 1.829,347 3.063,348 1.388,349 2.5,350 1.83,351 3.764,352 2.171,353 1.211,354 1.5,356 2.917,357 1.137,358 2.457,359 1.513,360 3.598,361 2.102,362 1.122,363 1.442,365 2.6,366 1.092,367 2.396,368 1.417,369 3.569,370 2,371 1,372 1.357,374 2.572,375 1,376 2.184,377 1.116,378 3.414,379 1.998,380 1,381 1.154,383 2.275,384 0.995,385 1.471,386 1,387 2.974,388 1.271,389 0.256,390 0.281,392 0.415,393 0.256,394 1.445,395 0.704,396 2.734,397 1.097,398 0.109,399 0.138,401 0.256,402 0.108,403 14.533,404 0.469,405 0.712,406 0.023,407 38.5,408 1.242,409 19,410 0.613,411 19.5,412 0.629,413 26.784,414 0.864,415 33.467,416 0.598,417 30.912,418 0.997,419 7.803,420 0.252,421 7.243,422 0.234,423 0.103,425 0.344,428 0.716,429 1.113,430 0.789,431 0.998,432 0.635,433 0.919,434 0.813,435 1.105,436 0.901,437 1.021,438 0.615,439 0.988,440 0.89,441 1.128,442 1.011,443 1.067,444 0.789,445 1.055,446 0.93,447 0.929,448 1.032,449 0.968,450 1.094,451 1.007,452 1.139,453 0.892,454 1.078,455 0.941,456 1.33,457 0.989,458 0.849,459 0.93,460 1,461 0.991,462 1.029,463 1.026,464 0.696,465 1.066,466 0.994,467 1.114,468 0.736,469 1.112,470 0.844,471 1.014,472 0.918,473 1.025,474 0.792,475 0.993,476 6,477 0.12,478 3.556,479 2.125,480 1.751,481 1.167,482 0.587,483 0.368,484 0.291,485 0.226,486 13940,487 38900,488 2.084,489 44.6,490 2,491 14,494 3,495 4,497 2,498 1.733,499 1.958,500 3.583,501 0.844,502 1,503 1,506 86.321,507 1.541,508 3.787,509 4.892,510 5.401,511 5.437,512 5.437,513 2.997,514 4.632,515 4.93,516 3.805,517 1769.43,518 8.587,519 26171.8,521 1,522 1,523 325.212,524 1.383,525 4.888,526 0.176,527 0.005,528 0.076,529 0.043,530 0.038,531 0.027,532 0.015,533 0.011,534 0.011,535 0.01,536 0.411,537 0.33,538 1,539 0.861,540 163.19,541 0.01,542 0.058,543 0.03,544 0.068,545 -0.031,546 0.054,547 0.005,548 -0.013,549 -0.021,550 0.016,551 0.006,552 -0.009,553 -0.031,554 -0.075,555 -0.083,556 -0.07,557 0.023,558 -0.081,559 0.061,560 0.079,561 -0.05,562 -0.001,563 -0.041,564 -0.039,565 -0.062,566 0.082,567 -0.087,568 0.042,569 -0.133,570 -0.014,571 0.098,572 0.021,573 -0.027,574 0.018,575 0.064,576 -0.022,577 0.056,578 -0.107,579 -0.04,580 -0.103,581 0.072,582 -0.091,583 -0.007,584 -0.093,585 0.083,586 -0.043,587 0.026,588 0.025,589 2.222,590 5.704,591 0.71,592 31.85,593 1.006,594 1.123,595 2.058,596 4.236,597 0.664,598 3.555,599 3.871,600 4.143,601 4.394,602 4.625,603 4.644,604 4.7,605 4.796,606 4.905,607 4.949,608 7.666,609 0.638,610 419.52,611 3.555,612 5.094,613 5.943,614 6.817,615 7.681,616 8.559,617 9.427,618 10.306,619 11.176,620 12.056,621 5.4,624 2,626 1,628 2,629 9,630 1,632 4,634 17,635 1,641 56,642 19,643 2,644 34,645 59,646 24,647 15,648 4,649 8,650 1,651 4,652 5,653 1,654 2,655 1,657 3,659 17,660 7,661 1,662 2,665 2,666 2,668 1,670 25,671 7,672 3,673 7,677 3,678 0.75,679 4,682 1,686 4,689 1,696 1,700 1,701 1,702 3,705 1,708 31,712 1,713 4,714 2,715 1,717 2,724 7.1,725 1,727 2,728 1,731 15.833,732 10.067,733 6.889,734 3.296,735 3.514,736 1.446,737 0.959,738 6.498,739 11.393,740 3.818,741 4.394,742 4.958,743 5.517,744 6.079,745 6.337,746 6.68,747 7.083,748 7.503,749 7.661,750 1,751 50,752 11.513,753 4.982,754 7.871,755 21.807,756 18.135,757 2.371,758 73.5,760 258.964,761 134.805,762 49.269,763 104.095,766 134.805,767 363.06,768 49.269,769 8.825,770 46.737,771 128.092,772 87.485,773 17.031,775 258.964,777 258.964,778 184.074,779 104.095,782 235.422,783 73.832,784 53.806,785 60.463,786 106.825,787 16.786,789 258.964,790 153.364,791 134.805,794 258.964,795 40.694,796 94.111,797 32.483,798 120.881,799 258.964,800 153.364,801 134.805,803 0.577,804 0.344,805 0.188,806 0.104,807 22,808 10,809 0.085,810 5,811 1,812 1.091,813 4.247,814 275.51,815 0.091,816 22,817 149.58,820 21.29,821 9.461,822 4.869,823 2.106,824 153.364,825 17.66,826 4.589,828 3.785,830 75.289,831 547.134,832 44.5,835 24.538,836 -0.806,837 56.334,838 62.9,839 0.265,840 0.652,841 0.842,842 0.93,843 0.936,844 0.936,845 5.051,846 1.526,847 5.922,848 5.652,849 4.554,850 5.081,851 2.634,852 6.723,853 4.522,854 6.245,855 1.4,856 7.475,857 3.676,858 4.111,859 4.879,860 1.593,861 7.6,862 4.097,863 7.545,864 1.211,865 9.128,866 3.063,867 6.138,868 7.26,869 3.435,870 10.696,871 6.086,872 8.879,873 1.122,874 10.839,875 2.917,876 6.509,877 7.884,878 3.334,879 12.4,880 6.477,881 10.245,882 1,883 12.589,884 2.6,885 7.998,886 9.758,887 4.608,888 15.003,889 7.933,890 11.633,891 1,892 14.364,893 2.572,894 8.753,895 10.794,896 4.933,897 17.051,898 8.699,899 13.039,900 0.256,901 16.158,902 2.275,903 10.017,904 12.452,905 5.944,906 19.477,907 9.938,908 3.086,909 0.109,910 17.967,911 0.415,912 10.958,913 13.707,914 6.462,915 21.675,916 10.88,917 3.014,918 10.357,919 19.786,920 0.256,921 12.127,922 15.268,923 7.344,924 24.034,925 12.03,926 2.777,927 9.99,928 21.614,929 4.472,930 13.155,931 16.638,932 7.957,933 26.298,934 13.053,935 2.414,936 8.571,937 23.448,938 3.771,939 14.285,940 18.156,941 8.771,942 28.632,943 14.167,944 2.158,945 7.204,946 25.288,947 3.223,948 15.355,949 19.587,950 9.434,951 30.926,952 15.228,953 2.057,954 5.962,955 27.133,956 3.104,957 16.47,958 21.087,959 10.21,960 33.251,961 16.329,962 1.936,963 5.911,964 28.982,965 2.983,966 17.56,967 22.549,968 10.902,969 35.56,970 17.408,971 13242,972 22252,973 22.77,974 37.21,975 50.56,976 54.923,977 52.388,978 50.144,979 50.132,980 64.821,981 10.517,982 142.84,983 49.269,984 5.535,985 5.944,986 6.221,987 5.15,988 5.086,989 7.472,990 3.641,991 17.337,992 5.049,993 14.946,994 1.487,995 1.615,996 1.541,997 1.475,998 1.474,999 1.906,1000 0.309,1001 4.201,1002 1.449,1003 4.101,1004 4.127,1005 4.058,1006 4.04,1007 7.433,1008 4.041,1009 3.939,1010 3.969,1011 3.881,1012 3.856,1013 7.427,1014 3.857,1015 3.841,1016 3.874,1017 3.755,1018 3.696,1019 6.493,1020 3.704,1021 3.533,1022 3.579,1023 3.435,1024 3.444,1025 4.981,1026 3.435,1027 3.416,1028 3.459,1029 3.339,1030 3.198,1031 4.694,1032 3.215,1033 3.355,1034 3.398,1035 3.257,1036 3.123,1037 4.601,1038 3.142,1039 3.154,1040 3.218,1041 3.028,1042 2.954,1043 4.4,1044 2.967,1045 2.995,1046 3.079,1047 2.787,1048 2.754,1049 4.028,1050 2.742,1051 0.133,1052 0.116,1053 0.192,1054 0.12,1055 0.091,1056 4.535,1057 0.132,1058 3.944,1059 0.061,1060 6.54,1061 0.305,1062 4.073,1063 0.09,1064 3.086,1065 4.472,1066 2.071,1067 10.357,1068 3.049,1069 2.066,1070 2.043,1071 2.147,1072 2.142,1073 1.357,1074 2.145,1075 1.911,1076 1.887,1077 2.023,1078 2.036,1079 1.316,1080 2.03,1081 1.801,1082 1.762,1083 1.973,1084 1.955,1085 1.11,1086 1.962,1087 1.542,1088 1.499,1089 1.745,1090 1.673,1091 0.833,1092 1.699,1093 1.32,1094 1.276,1095 1.545,1096 1.61,1097 0.825,1098 1.567,1099 1.284,1100 1.231,1101 1.537,1102 1.531,1103 0.705,1104 1.523,1105 1.101,1106 1.047,1107 1.336,1108 1.359,1109 0.472,1110 1.369,1111 0.919,1112 0.848,1113 1.212,1114 1.275,1115 0.319,1116 1.28,1117 4.234,1118 5.549,1120 7.067,1122 8.677,1124 10.333,1125 1.99,1129 8.919,1130 1.87,1131 4.552,1132 5.306,1134 -1.01,1139 35.718,1140 86.321,1141 212.048,1142 273.928,1143 302.457,1144 304.457,1145 304.457,1146 66.561,1147 7.879,1148 100.55,1149 100.55,1150 24,1151 12.594,1152 4.322,1153 3.524,1154 49.688,1155 148,1156 121,1157 0.166,1158 218.507,1159 383.38,1160 524.917,1161 32800,1163 21.794,1164 0.703,1165 0.558,1166 21.794,1167 17.298,1168 15.046,1169 0.443,1170 0.303,1171 10.186,1172 14.482,1173 9.949,1174 8.213,1175 15.046,1176 10.317,1177 13.368,1178 0.284,1179 0.167,1180 13.368,1181 7.84,1182 11.333,1183 0.183,1184 0.091,1185 11.333,1186 5.66,1187 9.397,1188 0.117,1189 0.05,1190 9.397,1191 4.039,1192 7.702,1193 0.076,1194 0.028,1195 7.702,1196 2.814,1197 0.267,1198 94.512,1199 0.21,1200 29.444,1201 0.439,1202 162,1203 485.667,1204 176.242,1205 465.67,1206 623.36,1207 434,1208 190,1209 443.477,1210 204.022,1211 449.181,1212 651,1213 422,1214 5.62} {0 CHEMBL252893,1 1.579,2 13.5,3 1.509,4 2.279,5 117.162,6 7.641,7 0.486,8 4.15,9 4.254,10 3.727,11 3.668,12 5.315,13 3.664,14 4.681,15 4.826,16 4.067,17 4.056,18 5.799,19 4.031,20 4.957,21 5.141,22 4.171,23 4.204,24 6.098,25 4.16,26 5.039,27 5.244,28 4.12,29 4.173,30 6.18,31 4.114,32 5.001,33 5.21,34 4.032,35 4.115,36 6.151,37 4.05,38 4.922,39 5.134,40 3.943,41 4.062,42 6.147,43 3.98,44 4.782,45 4.995,46 3.853,47 4.026,48 5.892,49 3.929,50 4.762,51 4.988,52 3.724,53 3.897,54 5.839,55 3.805,56 0.141,57 0.801,58 11.286,59 5.302,60 16.898,61 6.482,62 0.382,63 1.273,64 21.52,65 8.803,66 40.351,67 11.05,68 0.555,69 1.614,70 30.39,71 11.069,72 83.201,73 14.482,74 0.85,75 1.658,76 35.022,77 11.702,78 97.285,79 15.489,80 0.816,81 1.536,82 34.401,83 11.574,84 100.812,85 15.126,86 0.959,87 1.395,88 32.339,89 11.261,90 124.688,91 14.8,92 0.407,93 1.306,94 26.28,95 10.562,96 66.407,97 14.253,98 0.432,99 1.245,100 26.775,101 9.439,102 58.569,103 12.789,104 19,105 48,106 0.257,107 0.632,108 0.804,109 0.885,110 0.891,111 0.891,112 3.502,113 0.896,114 -2.81,115 -2.82,116 -2.73,117 42.1,118 1,119 1,120 1,122 3,123 1,128 9,129 3,130 1,132 2,136 2,145 1,147 10,150 11,152 2,153 4,154 12,158 9,159 1,161 3,163 8,165 1,166 8,167 3,168 1,169 3,171 9,173 1,174 3,176 1,177 1,178 1,180 13,181 3,182 3,184 2,186 1,189 12,192 6,193 1,195 3,197 10,200 9,205 5,207 9,210 3,215 4,216 5,219 1644,220 21.8,221 21.8,222 21.8,223 21.8,224 21.8,225 19.543,226 24.452,227 12.904,228 22.196,229 17.208,230 17.208,231 17.208,232 17.208,233 17.208,234 13.671,235 29.548,236 6.034,237 17.733,238 4.254,239 1.95,240 0.9,241 0.399,242 0.364,243 0.364,244 4.199,246 1,247 1,248 933,249 3.742,251 410.984,254 159.253,255 2.219,256 39.117,258 1,259 1,260 1,261 0.8,262 0.5,263 1,264 1,265 0.9,266 70.5,267 432,268 4.529,269 3.944,270 6.531,271 4.057,272 3.073,273 4.469,274 2.071,275 10.315,276 3.025,277 4.215,278 3.574,279 6.462,280 4.003,281 3.015,282 3.771,283 1.151,284 9.99,285 2.976,286 4.053,287 3.223,288 6.024,289 3.782,290 2.782,291 3.217,292 1.058,293 8.569,294 2.782,295 3.729,296 3.201,297 5.35,298 3.356,299 2.406,300 3.062,301 0.86,302 6.929,303 2.274,304 3.571,305 2.848,306 5.19,307 3.142,308 2.16,309 3,310 0.589,311 6.258,312 2.122,313 3.466,314 2.653,315 5.048,316 3.057,317 2.082,318 2.845,320 5.943,321 2.019,322 3.245,323 2.347,324 5.016,325 3.003,326 2.018,327 2.308,329 5.708,330 1.975,331 2.889,332 2.282,333 4.159,334 2.453,335 1.539,336 2.077,338 3.694,339 1.404,340 2.824,341 2.087,342 3.866,343 2.393,344 1.401,345 1.844,347 3.109,348 1.389,349 2.512,350 1.945,351 3.79,352 2.185,353 1.244,354 1.516,356 2.939,357 1.148,358 2.5,359 1.513,360 3.604,361 2.105,362 1.128,363 1.5,365 2.744,366 1.094,367 2.403,368 1.421,369 3.57,370 2.074,371 1.086,372 1.372,374 2.6,375 1.065,376 2.184,377 1.333,378 3.414,379 2,380 1,381 1.155,383 2.275,384 1,385 1.835,386 1,387 3.163,388 1.486,389 0.572,390 0.698,392 1.387,393 0.517,394 1.47,395 0.883,396 2.777,397 1.268,398 0.249,399 0.275,401 0.361,402 0.25,403 14.867,404 0.465,405 0.712,406 0.022,407 40,408 1.25,409 19.5,410 0.609,411 20.5,412 0.641,413 27.098,414 0.847,415 34.933,416 0.613,417 32.591,418 1.018,419 8.202,420 0.256,421 7.344,422 0.229,423 0.101,425 0.336,428 0.756,429 1.163,430 0.769,431 1.047,432 0.651,433 0.931,434 0.941,435 1.12,436 0.911,437 1.028,438 0.654,439 0.978,440 0.99,441 1.145,442 1.004,443 1.071,444 0.824,445 1.038,446 1.067,447 0.973,448 1.076,449 1.006,450 1.167,451 1.033,452 1.165,453 0.914,454 1.078,455 0.975,456 1.357,457 1.002,458 0.969,459 0.777,460 1.003,461 0.857,462 1.066,463 0.933,464 0.614,465 1.069,466 0.889,467 1.102,468 0.603,469 1.072,470 0.963,471 1.058,472 1.04,473 1.075,474 0.95,475 1.072,476 6,477 0.161,478 3.778,479 2,480 1.751,481 1.111,482 0.629,483 0.351,484 0.282,485 0.219,486 15757,487 45455,488 2.082,489 43.9,491 16,494 3,495 4,497 2,498 1.74,499 1.959,500 3.664,501 0.853,503 1,506 89.975,507 1.579,508 3.883,509 4.933,510 5.434,511 5.469,512 5.469,513 3.003,514 4.242,515 4.976,516 3.9,517 1934.16,518 8.67,519 29878.1,521 1,522 1,523 332.475,524 1.366,525 4.936,526 0.171,527 0.007,528 0.079,529 0.039,530 0.038,531 0.026,532 0.016,533 0.009,534 0.009,535 0.009,536 0.405,537 0.33,538 1,539 0.844,540 171.373,541 -0.008,542 0.017,543 0.034,544 0.031,545 -0.039,546 0.04,547 -0.044,548 -0.028,549 -0.027,550 0.009,551 -0.006,552 -0.008,553 -0.064,554 -0.093,555 -0.069,556 -0.078,557 0.018,558 -0.071,559 -0.002,560 0.035,561 -0.086,562 -0.047,563 -0.07,564 -0.078,565 -0.049,566 0.05,567 -0.071,568 -0.005,569 -0.128,570 -0.034,571 0.12,572 0.152,573 0.005,574 0.137,575 0.09,576 0.06,577 0.082,578 -0.105,579 0.039,580 -0.059,581 0.118,582 -0.029,583 -0.092,584 -0.092,585 -0.062,586 -0.088,587 -0.067,588 -0.07,589 2.238,590 5.65,591 0.688,592 34.75,593 1.012,594 1.125,595 1.578,596 2.49,597 0.661,598 3.584,599 3.892,600 4.159,601 4.394,602 4.615,603 4.615,604 4.663,605 4.71,606 4.828,607 4.883,608 8.16,609 0.639,610 435.52,611 3.584,612 5.118,613 5.964,614 6.832,615 7.692,616 8.564,617 9.428,618 10.301,619 11.166,620 12.039,621 5.3,624 2,626 1,628 2,629 9,630 1,632 4,634 17,635 1,639 1,641 57,642 19,643 2,644 35,645 60,646 24,647 15,648 4,649 8,650 1,651 4,652 5,653 1,654 2,655 1,657 2,659 17,660 7,661 1,662 2,665 2,666 2,668 1,670 25,671 8,672 3,673 8,677 3,678 0.75,679 5,682 1,686 4,689 1,696 1,700 1,701 1,702 3,705 1,708 32,712 1,713 4,714 2,715 2,717 2,724 8.8,725 1,727 2,728 1,729 1,731 16.333,732 10.233,733 7.139,734 3.296,735 3.486,736 1.441,737 0.951,738 7.004,739 11.4,740 3.839,741 4.407,742 4.965,743 5.505,744 6.048,745 6.261,746 6.556,747 6.857,748 7.259,749 7.343,750 0.889,751 51,752 11.878,753 5.121,754 7.906,755 22.341,756 18.353,757 2.406,758 77,760 258.964,761 138.921,762 49.269,763 115.095,766 138.921,767 374.06,768 49.269,769 8.825,770 48.795,771 128.092,772 87.485,773 30.088,775 258.964,777 258.964,778 188.19,779 115.095,782 235.422,783 84.832,784 53.806,785 62.521,786 108.883,787 16.786,789 258.964,790 164.364,791 138.921,794 258.964,795 44.809,796 94.111,797 32.483,798 131.881,799 258.964,800 164.364,801 138.921,803 0.576,804 0.343,805 0.186,806 0.102,807 22,808 10,809 0.1,810 6,811 1,812 1.091,813 4.375,814 283.164,815 0.091,816 22,817 156,820 22.216,821 10.089,822 5.27,823 1.978,824 164.364,825 16.797,826 4.545,828 3.069,830 75.289,831 562.249,832 45.5,835 24.469,836 -0.868,837 57.662,838 64.109,839 0.271,840 0.666,841 0.846,842 0.932,843 0.938,844 0.938,845 5.07,846 1.539,847 5.938,848 5.708,849 4.575,850 5.094,851 2.751,852 6.73,853 4.523,854 6.258,855 1.401,856 7.486,857 3.694,858 4.111,859 4.879,860 1.593,861 7.6,862 4.077,863 7.555,864 1.244,865 9.135,866 3.109,867 6.151,868 7.264,869 3.529,870 10.689,871 6.064,872 8.886,873 1.128,874 10.843,875 2.939,876 6.509,877 7.884,878 3.334,879 12.392,880 6.445,881 10.25,882 1.086,883 12.59,884 2.744,885 8.003,886 9.758,887 4.652,888 14.987,889 7.896,890 11.636,891 1,892 14.363,893 2.6,894 8.748,895 10.792,896 4.933,897 17.036,898 8.657,899 13.039,900 0.572,901 16.155,902 2.275,903 10.014,904 12.449,905 5.96,906 19.456,907 9.891,908 3.073,909 0.249,910 17.962,911 1.387,912 10.948,913 13.702,914 6.462,915 21.654,916 10.83,917 3.015,918 10.315,919 19.78,920 0.361,921 12.116,922 15.262,923 7.349,924 24.009,925 11.975,926 2.782,927 9.99,928 21.606,929 4.469,930 13.14,931 16.632,932 7.957,933 26.271,934 12.995,935 2.406,936 8.569,937 23.44,938 3.771,939 14.268,940 18.149,941 8.772,942 28.602,943 14.106,944 2.16,945 6.929,946 25.279,947 3.217,948 15.334,949 19.579,950 9.434,951 30.894,952 15.163,953 2.082,954 6.258,955 27.123,956 3.062,957 16.447,958 21.079,959 10.211,960 33.216,961 16.26,962 2.018,963 5.943,964 28.97,965 3,966 17.534,967 22.539,968 10.902,969 35.522,970 17.336,971 14946,972 25524,973 23.463,974 37.665,975 51.853,976 56.483,977 53.638,978 51.5,979 51.511,980 66.219,981 11.458,982 145.64,983 50.078,984 5.529,985 5.944,986 6.213,987 5.134,988 5.073,989 7.469,990 3.641,991 17.265,992 5.025,993 15.376,994 1.482,995 1.614,996 1.533,997 1.471,998 1.472,999 1.892,1000 0.327,1001 4.161,1002 1.431,1003 4.088,1004 4.113,1005 4.047,1006 4.019,1007 7.433,1008 4.023,1009 3.947,1010 3.975,1011 3.89,1012 3.854,1013 7.427,1014 3.858,1015 3.838,1016 3.868,1017 3.754,1018 3.691,1019 6.493,1020 3.7,1021 3.538,1022 3.584,1023 3.439,1024 3.447,1025 4.993,1026 3.438,1027 3.414,1028 3.456,1029 3.343,1030 3.153,1031 4.812,1032 3.186,1033 3.354,1034 3.391,1035 3.26,1036 3.119,1037 4.605,1038 3.136,1039 3.224,1040 3.281,1041 3.101,1042 3.018,1043 4.405,1044 3.035,1045 2.997,1046 3.08,1047 2.799,1048 2.754,1049 4.29,1050 2.742,1051 0.129,1052 0.113,1053 0.187,1054 0.116,1055 0.088,1056 4.529,1057 0.128,1058 3.944,1059 0.059,1060 6.531,1061 0.295,1062 4.057,1063 0.086,1064 3.073,1065 4.469,1066 2.071,1067 10.315,1068 3.025,1069 2.049,1070 2.027,1071 2.127,1072 2.133,1073 1.356,1074 2.133,1075 1.903,1076 1.882,1077 2.018,1078 2.038,1079 1.272,1080 2.031,1081 1.797,1082 1.76,1083 1.962,1084 1.955,1085 1.072,1086 1.956,1087 1.546,1088 1.504,1089 1.749,1090 1.678,1091 0.833,1092 1.704,1093 1.297,1094 1.251,1095 1.546,1096 1.609,1097 0.832,1098 1.566,1099 1.276,1100 1.225,1101 1.538,1102 1.537,1103 0.695,1104 1.526,1105 1.153,1106 1.109,1107 1.349,1108 1.424,1109 0.478,1110 1.415,1111 0.918,1112 0.849,1113 1.205,1114 1.276,1115 0.272,1116 1.282,1117 4.263,1118 5.572,1120 7.084,1122 8.687,1124 10.337,1125 1.955,1129 8.908,1130 1.461,1131 4.502,1132 11.238,1134 -1.054,1139 36.433,1140 89.975,1141 221.31,1142 281.191,1143 309.72,1144 311.72,1145 311.72,1146 70.341,1147 7.914,1148 109.78,1149 109.78,1150 24,1151 12.581,1152 4.322,1153 3.524,1154 52.224,1155 164,1156 128,1157 0.157,1158 222.503,1159 392.17,1160 534.668,1161 35506,1163 22.501,1164 0.703,1165 0.553,1166 22.501,1167 17.707,1168 15.546,1169 0.444,1170 0.299,1171 10.292,1172 14.853,1173 10.073,1174 8.308,1175 15.546,1176 10.456,1177 13.71,1178 0.286,1179 0.162,1180 13.71,1181 7.779,1182 11.643,1183 0.185,1184 0.088,1185 11.643,1186 5.561,1187 9.533,1188 0.119,1189 0.049,1190 9.533,1191 3.882,1192 7.785,1193 0.078,1194 0.026,1195 7.785,1196 2.624,1197 0.255,1198 98.421,1199 0.206,1200 30.441,1201 0.409,1202 166,1203 533.403,1204 183.785,1205 503.279,1206 672.08,1207 470,1208 194,1209 476.931,1210 211.676,1211 479.316,1212 695.62,1213 450,1214 7} {0 CHEMBL253275,1 1.846,2 12.788,3 2.127,4 4.526,5 111.444,6 8.564,7 0.444,8 4.125,9 4.229,10 3.779,11 3.599,12 5.362,13 3.631,14 4.689,15 4.831,16 4.22,17 4.002,18 6.269,19 4.021,20 4.942,21 5.13,22 4.269,23 4.153,24 6.248,25 4.133,26 5.05,27 5.256,28 4.268,29 4.14,30 6.328,31 4.132,32 5.014,33 5.22,34 4.213,35 4.078,36 6.385,37 4.087,38 4.935,39 5.115,40 4.215,41 4.042,42 6.465,43 4.059,44 4.867,45 5.083,46 3.949,47 3.935,48 6.268,49 3.901,50 4.681,51 4.918,52 3.695,53 3.709,54 5.897,55 3.661,56 0.315,57 1.01,58 8.634,59 4.885,60 44.033,61 5.301,62 1.152,63 1.929,64 19.128,65 8.209,66 168.568,67 9.228,68 1.155,69 1.832,70 27.448,71 10.075,72 134.861,73 13.241,74 1.329,75 1.979,76 33.21,77 11.027,78 167.378,79 13.711,80 1.507,81 1.964,82 34.568,83 11.198,84 201.477,85 12.68,86 1.383,87 2.053,88 29.451,89 10.989,90 189.205,91 11.598,92 1.332,93 1.737,94 29.963,95 10.527,96 182.418,97 11.767,98 0.961,99 1.228,100 26.011,101 8.426,102 126.067,103 10.616,104 42,105 52,106 0.304,107 0.668,108 0.806,109 0.879,110 0.885,111 0.885,112 3.532,113 0.851,114 -3.59,115 -3.56,116 -3.39,117 40.7,119 1,120 1,122 3,123 1,125 1,128 8,129 2,132 1,135 1,136 2,138 1,145 1,147 9,149 1,150 7,152 2,153 4,154 9,158 8,159 1,161 3,163 4,165 1,166 10,167 3,168 1,169 3,171 3,174 4,176 1,177 1,178 2,180 8,181 2,182 4,184 1,186 1,189 11,191 1,192 5,193 2,195 3,197 9,200 4,205 4,207 4,209 1,210 5,213 1,215 4,216 1,219 1762,220 21.911,221 21.911,222 21.911,223 21.911,224 21.911,225 19.846,226 25.486,227 12.704,228 22.512,229 17.703,230 17.703,231 17.703,232 17.703,233 17.703,234 14.405,235 32.856,236 5.94,237 18.679,238 3.909,239 1.703,240 0.866,241 0.421,242 0.384,243 0.384,244 4.222,246 1,247 1,248 905,249 4.359,250 79.702,251 323.732,253 150.855,255 2.028,256 65.183,258 1,259 0.83,260 1,261 0.8,262 0.5,263 1,264 1,265 0.88,266 76.5,267 422,268 4.736,269 4.474,270 7.32,271 4.333,272 3.453,273 4.608,274 3.825,275 12.644,276 3.089,277 4.215,278 3.944,279 6.462,280 4.004,281 3.015,282 3.77,283 2.071,284 9.991,285 2.976,286 4.143,287 3.573,288 6.455,289 3.804,290 2.895,291 3.44,292 1.058,293 9.879,294 2.792,295 4.052,296 3.223,297 6.024,298 3.762,299 2.773,300 3.217,301 0.86,302 8.57,303 2.523,304 3.735,305 3.174,306 5.47,307 3.393,308 2.399,309 3.061,310 0.589,311 7.176,312 2.38,313 3.325,314 2.697,315 5.128,316 3.035,317 2.047,318 2.607,319 0.522,320 5.907,321 2.01,322 3.226,323 2.645,324 5.036,325 2.829,326 1.886,327 2.3,329 5.647,330 1.758,331 3.042,332 2.126,333 4.62,334 2.525,335 1.574,336 2.284,338 4.501,339 1.491,340 2.809,341 2.069,342 4.155,343 2.44,344 1.524,345 1.838,347 3.669,348 1.398,349 2.675,350 1.861,351 3.802,352 2.203,353 1.248,354 1.736,356 2.917,357 1.172,358 2.5,359 1.643,360 3.64,361 2.146,362 1.19,363 1.5,365 2.876,366 1.113,367 2.403,368 1.513,369 3.574,370 2.099,371 1.119,372 1.375,374 2.6,375 1.089,376 2.184,377 1.322,378 3.559,379 2,380 1,381 1.155,383 2.275,384 1,385 2.139,386 1,387 3.414,388 1.68,389 0.733,390 0.998,392 1.95,393 0.69,394 1.47,395 0.903,396 2.91,397 1.27,398 0.253,399 0.278,401 0.378,402 0.254,403 14.79,404 0.448,405 0.984,406 0.03,407 39,408 1.182,409 17,410 0.515,411 22,412 0.667,413 29.255,414 0.887,415 37.41,416 0.693,417 36.088,418 1.094,419 8.142,420 0.247,421 7.632,422 0.231,423 0.126,424 0.034,425 0.331,426 3,428 0.646,429 1.046,430 0.653,431 1.064,432 0.605,433 0.917,434 0.596,435 0.841,436 0.78,437 1.013,438 0.449,439 0.993,440 0.542,441 0.732,442 0.826,443 1.045,444 0.535,445 1.068,446 0.827,447 0.93,448 0.944,449 1.011,450 0.852,451 1.02,452 1.17,453 0.982,454 1.021,455 0.874,456 1.208,457 0.876,458 1.21,459 1.258,460 1.072,461 1.094,462 1.25,463 1.05,464 1.176,465 1.098,466 1.199,467 1.056,468 1.211,469 1.116,470 0.951,471 0.914,472 0.995,473 1.021,474 0.916,475 1.027,476 7.5,477 0.136,478 4.444,479 2.694,480 2.317,481 1.601,482 0.806,483 0.4,484 0.393,485 0.291,486 15747,487 58360,488 2.036,489 38.9,491 15,494 3,495 1,497 2,498 1.75,499 1.877,500 3.561,501 0.922,503 1,506 99.663,507 1.846,508 4.052,509 4.889,510 5.334,511 5.371,512 5.371,513 2.949,514 4.56,515 5.02,516 3.809,517 2011.35,518 8.776,519 30899.1,523 310.764,524 1.628,525 4.954,526 0.208,527 0.005,528 0.085,529 0.05,530 0.045,531 0.032,532 0.016,533 0.011,534 0.014,535 0.011,536 0.478,537 0.33,538 0.88,539 0.998,540 176.417,541 -0.041,542 -0.061,543 0.014,544 0.016,545 -0.065,546 0.034,547 0.223,548 0.203,549 0.025,550 0.021,551 0.282,552 -0.049,553 0.132,554 0.078,555 0.036,556 -0.065,557 0.087,558 -0.073,559 -0.031,560 -0.118,561 -0.002,562 -0.069,563 -0.057,564 -0.035,565 -0.158,566 -0.04,567 -0.012,568 0.105,569 -0.148,570 0.116,571 -0.12,572 -0.16,573 -0.094,574 -0.064,575 -0.08,576 -0.069,577 -0.134,579 -0.18,580 -0.029,581 -0.125,582 -0.095,583 -0.094,584 -0.074,585 0.03,586 -0.033,587 -0.078,588 0.035,589 5.861,590 5.648,591 0.636,592 33.739,593 1.039,594 1.148,595 2.359,596 5.564,597 0.653,598 3.611,599 3.97,600 4.234,601 4.5,602 4.736,603 4.812,604 4.86,605 4.949,606 5.037,607 5.1,608 7.773,609 0.655,610 462.47,611 3.611,612 5.176,613 6.033,614 6.93,615 7.81,616 8.712,617 9.6,618 10.504,619 11.396,620 12.301,621 7.4,624 2,625 1,626 1,628 2,629 8,630 1,632 3,633 1,634 16,635 1,641 54,642 18,643 2,644 36,645 57,646 22,647 13,648 4,649 8,650 1,651 4,652 5,653 1,654 2,655 1,656 1,657 2,659 15,660 7,661 1,662 2,665 2,666 2,668 1,669 3,670 21,671 10,672 3,673 11,676 1,677 4,678 0.75,679 4,685 1,686 3,688 1,696 1,700 1,701 1,702 3,706 3,708 33,712 1,713 4,714 2,715 1,717 2,719 1,723 3,724 7.4,725 1,727 2,728 1,731 17.583,732 9.362,733 7.167,734 3.061,735 3.319,736 1.414,737 0.96,738 6.704,739 11.339,740 3.85,741 4.44,742 5.006,743 5.578,744 6.106,745 6.427,746 6.779,747 7.175,748 7.42,749 7.731,750 1,751 54,752 12.849,753 6.213,754 8.381,755 22.28,756 18.573,757 2.881,758 95.083,760 211.88,761 119.791,762 51.168,763 104.095,764 44.88,766 119.791,767 315.975,768 96.048,770 46.308,771 118.616,772 89.812,773 55.295,774 2.144,775 211.88,776 7.76,777 211.88,778 170.959,779 148.976,782 188.338,783 118.712,784 53.806,785 60.439,786 93.735,787 16.786,789 256.76,790 155.263,791 119.791,794 219.639,795 36.222,796 77.709,797 32.483,798 165.761,799 211.88,800 200.144,801 119.791,803 0.59,804 0.344,805 0.183,806 0.104,807 25,808 12,809 0.088,810 5,811 1,812 1.095,813 4.295,814 305.871,815 0.095,816 21,817 153.71,820 23.243,821 9.517,822 5.034,823 0.609,824 198.245,825 12.545,826 3.732,828 -0.137,829 1.102,830 75.289,831 531.815,832 46,835 24.451,836 -1.086,837 56.091,838 62.002,839 0.321,840 0.704,841 0.85,842 0.927,843 0.933,844 0.933,845 5.118,846 1.574,847 6.061,848 5.647,849 4.654,850 5.127,851 3.508,852 6.93,853 4.555,854 6.339,855 1.524,856 7.665,857 4.501,858 4.443,859 5.047,860 3.979,861 8.1,862 4.223,863 7.667,864 1.248,865 9.38,866 3.669,867 6.344,868 7.327,869 5.544,870 11.159,871 6.127,872 9.032,873 1.19,874 11.161,875 2.917,876 6.938,877 8.07,878 6.723,879 13.139,880 6.591,881 10.43,882 1.119,883 12.986,884 2.876,885 8.366,886 9.879,887 8.089,888 15.793,889 7.997,890 11.853,891 1,892 14.84,893 2.6,894 9.302,895 11.013,896 9.4,897 18.087,898 8.808,899 13.295,900 0.733,901 16.716,902 2.275,903 10.567,904 12.639,905 10.743,906 20.629,907 10.021,908 3.453,909 0.253,910 18.609,911 1.95,912 11.652,913 13.969,914 12.078,915 23.052,916 10.988,917 3.015,918 12.644,919 20.515,920 0.378,921 12.865,922 15.524,923 13.419,924 25.569,925 12.126,926 2.895,927 9.991,928 22.433,929 4.608,930 14.016,931 16.952,932 14.759,933 28.049,934 13.164,935 2.773,936 9.879,937 24.359,938 3.77,939 15.218,940 18.48,941 16.1,942 30.565,943 14.275,944 2.399,945 8.57,946 26.294,947 3.44,948 16.401,949 19.957,950 17.442,951 33.071,952 15.346,953 2.047,954 7.176,955 28.235,956 3.217,957 17.606,958 21.478,959 18.783,960 35.593,961 16.449,962 1.886,963 5.907,964 30.182,965 3.061,966 18.807,967 22.979,968 20.125,969 38.113,970 17.536,971 15120,972 29287,973 23.463,974 35.267,975 55.068,976 57.884,977 56.472,978 54.537,979 54.258,980 68.377,981 17.85,982 162.047,983 51.504,984 5.736,985 6.474,986 7.002,987 5.41,988 5.453,989 7.608,990 5.395,991 20.521,992 5.089,993 18.939,994 1.53,995 1.608,996 1.569,997 1.515,998 1.507,999 1.899,1000 0.496,1001 4.501,1002 1.431,1003 4.14,1004 4.181,1005 4.114,1006 4.015,1007 8.513,1008 4.032,1009 3.941,1010 3.971,1011 3.883,1012 3.855,1013 7.999,1014 3.857,1015 3.84,1016 3.873,1017 3.754,1018 3.696,1019 7.999,1020 3.704,1021 3.54,1022 3.583,1023 3.517,1024 3.35,1025 7.433,1026 3.376,1027 3.413,1028 3.455,1029 3.349,1030 3.146,1031 7.427,1032 3.183,1033 3.344,1034 3.382,1035 3.263,1036 3.101,1037 6.493,1038 3.126,1039 3.134,1040 3.198,1041 3.08,1042 2.827,1043 4.997,1044 2.865,1045 2.996,1046 3.08,1047 2.856,1048 2.741,1049 4.692,1050 2.769,1051 0.132,1052 0.124,1053 0.203,1054 0.12,1055 0.096,1056 4.736,1057 0.128,1058 4.474,1059 0.106,1060 7.32,1061 0.351,1062 4.333,1063 0.086,1064 3.453,1065 4.608,1066 3.825,1067 12.644,1068 3.089,1069 1.963,1070 1.936,1071 2.064,1072 2.072,1073 1.356,1074 2.07,1075 1.889,1076 1.863,1077 2.002,1078 2.016,1079 1.224,1080 2.011,1081 1.802,1082 1.763,1083 1.97,1084 1.95,1085 1.08,1086 1.958,1087 1.526,1088 1.479,1089 1.616,1090 1.784,1091 0.833,1092 1.725,1093 1.292,1094 1.243,1095 1.538,1096 1.608,1097 0.78,1098 1.565,1099 1.218,1100 1.183,1101 1.353,1102 1.504,1103 0.476,1104 1.458,1105 1.016,1106 0.956,1107 1.249,1108 1.322,1109 0.355,1110 1.299,1111 0.912,1112 0.843,1113 1.182,1114 1.273,1115 0.218,1116 1.271,1117 4.29,1118 5.638,1119 2.398,1120 7.177,1121 4.844,1122 8.799,1123 7.066,1124 10.464,1126 40.52,1129 8.883,1130 0.752,1131 4.34,1132 5.242,1134 -1.257,1136 -4.611,1139 35.363,1140 99.663,1141 218.79,1142 264.009,1143 288.009,1144 290.009,1145 290.009,1146 95.782,1147 8.019,1148 105.48,1149 105.48,1150 23,1151 12.822,1152 4.248,1153 3.459,1154 54.579,1155 160,1156 138,1157 0.17,1158 212.639,1159 380.63,1160 510.598,1161 37920,1162 5.6,1163 23.587,1164 0.715,1165 0.524,1166 21.087,1167 17.302,1168 15.774,1169 0.438,1170 0.284,1171 9.984,1172 14.841,1173 9.9,1174 8.076,1175 14.563,1176 10.216,1177 14.904,1178 0.287,1179 0.149,1180 12.909,1181 7.731,1182 12.023,1183 0.177,1184 0.082,1185 11.242,1186 5.585,1187 9.856,1188 0.111,1189 0.044,1190 9.203,1191 3.9,1192 8.135,1193 0.072,1194 0.024,1195 7.476,1196 2.7,1197 0.271,1198 101.669,1199 0.206,1200 30.814,1201 0.453,1202 176,1203 765.646,1204 210.062,1205 645.21,1206 832.23,1207 596,1208 208,1209 572.998,1210 237.604,1211 554.801,1212 832.86,1213 520,1214 5} {0 CHEMBL271235,1 1.567,2 14.206,3 2.909,4 8.462,5 126.852,6 7.643,7 0.459,8 4.193,9 4.305,10 3.772,11 3.726,12 5.381,13 3.716,14 4.712,15 4.872,16 4.116,17 4.112,18 5.824,19 4.084,20 4.987,21 5.171,22 4.207,23 4.269,24 6.134,25 4.214,26 5.108,27 5.329,28 4.175,29 4.26,30 6.201,31 4.191,32 5.053,33 5.259,34 4.111,35 4.21,36 6.216,37 4.14,38 5.01,39 5.235,40 4.043,41 4.164,42 6.215,43 4.08,44 4.888,45 5.1,46 3.996,47 4.116,48 6.132,49 4.038,50 4.823,51 5.04,52 3.85,53 4.01,54 6.032,55 3.925,56 0.12,57 0.861,58 11.686,59 5.308,60 19.746,61 6.665,62 0.317,63 1.385,64 21.87,65 8.597,66 36.837,67 11.211,68 0.458,69 1.736,70 30.435,71 11.473,72 82.218,73 15.087,74 0.68,75 1.83,76 37.686,77 12.924,78 95.452,79 17.254,80 0.72,81 1.704,82 35.223,83 12.146,84 102.419,85 15.904,86 0.791,87 1.59,88 34.984,89 12.375,90 123.206,91 16.573,92 0.444,93 1.471,94 29.43,95 11.184,96 98.207,97 14.94,98 0.375,99 1.378,100 27.677,101 10.019,102 82.501,103 13.362,104 34,105 51,106 0.251,107 0.65,108 0.81,109 0.886,110 0.891,111 0.891,112 3.56,113 0.889,114 -3.15,115 -3.14,116 -3.02,117 43.3,118 1,120 1,122 4,123 1,126 1,127 1,128 9,129 3,130 1,132 2,136 2,145 1,147 11,150 11,152 2,153 3,154 11,158 10,159 2,161 3,163 8,165 1,166 6,167 2,168 1,169 2,171 9,173 2,174 4,176 1,177 1,178 1,180 12,181 2,182 5,184 2,186 3,189 10,192 8,193 1,195 5,197 11,200 7,205 6,207 12,209 1,210 3,215 4,216 9,219 2070,220 23.118,221 23.118,222 23.118,223 23.118,224 23.118,225 20.654,226 26.211,227 13.705,228 23.478,229 18.174,230 18.174,231 18.174,232 18.174,233 18.174,234 14.31,235 31.118,236 6.361,237 18.678,238 4.34,239 1.853,240 0.855,241 0.379,242 0.346,243 0.346,244 4.255,246 1,247 1,248 1036,249 4.062,250 109.113,251 322.553,254 175.962,255 2.299,256 39.314,258 1,259 0.83,260 1,261 0.8,262 0.5,263 1,264 1,265 0.88,266 74,267 483,268 4.529,269 3.948,270 6.531,271 4.069,272 3.089,273 4.469,274 2.071,275 10.315,276 3.027,277 4.23,278 3.576,279 6.517,280 4.057,281 3.073,282 3.771,283 1.151,284 10.247,285 3.024,286 4.101,287 3.264,288 6.026,289 3.795,290 2.795,291 3.258,292 1.058,293 8.586,294 2.792,295 3.73,296 3.202,297 5.351,298 3.355,299 2.406,300 3.066,301 1.053,302 6.929,303 2.274,304 3.581,305 2.963,306 5.298,307 3.244,308 2.287,309 3,310 0.589,311 6.646,312 2.178,313 3.571,314 2.847,315 5.188,316 3.142,317 2.16,318 2.845,319 0.249,320 6.256,321 2.12,322 3.466,323 2.435,324 5.016,325 3.04,326 2.07,327 2.538,329 5.943,330 2,331 3.315,332 2.346,333 4.933,334 2.835,335 1.872,336 2.154,338 5.47,339 1.791,340 2.956,341 2.28,342 4.117,343 2.393,344 1.401,345 2.077,347 3.432,348 1.389,349 2.889,350 1.955,351 3.862,352 2.335,353 1.34,354 1.809,356 3.087,357 1.32,358 2.666,359 1.771,360 3.78,361 2.098,362 1.119,363 1.52,365 2.779,366 1.092,367 2.507,368 1.421,369 3.604,370 2,371 1.008,372 1.5,374 2.48,375 1,376 2.5,377 1.383,378 3.414,379 1.998,380 1,381 1.433,383 2.275,384 0.994,385 2.027,386 1.333,387 3.168,388 1.904,389 0.922,390 0.978,392 1.687,393 0.902,394 1.834,395 1,396 3.122,397 1.483,398 0.567,399 0.694,401 1.376,402 0.513,403 15.933,404 0.469,405 0.78,406 0.023,407 43.25,408 1.272,409 21.5,410 0.632,411 21.75,412 0.64,413 28.834,414 0.848,415 36.267,416 0.604,417 36.531,418 1.074,419 8.977,420 0.264,421 7.501,422 0.221,423 0.126,425 0.339,428 0.747,429 1.209,430 0.775,431 1.016,432 0.656,433 0.917,434 0.867,435 1.107,436 0.897,437 0.978,438 0.603,439 0.94,440 0.953,441 1.172,442 1.055,443 1.142,444 0.812,445 1.114,446 1.121,447 0.93,448 1.018,449 0.961,450 1.144,451 0.969,452 1.226,453 0.951,454 1.132,455 1.022,456 1.408,457 1.055,458 0.978,459 0.849,460 0.944,461 0.885,462 0.956,463 0.914,464 0.885,465 1.026,466 0.923,467 1.025,468 0.85,469 0.994,470 1.082,471 1.045,472 1.082,473 1.082,474 1.045,475 1.079,476 7,477 0.198,478 3.778,479 2.319,480 2.024,481 1.302,482 0.782,483 0.471,484 0.272,485 0.26,486 18324,487 52100,488 2.059,489 43.3,491 18,492 1,494 3,495 4,498 1.756,499 1.925,500 3.738,501 0.811,503 1,506 93.991,507 1.567,508 4.054,509 5.052,510 5.528,511 5.561,512 5.561,513 3.179,514 4.771,515 5.062,516 3.973,517 2228.73,518 8.85,519 36090.3,523 354.413,524 1.419,525 5.016,526 0.189,527 0.008,528 0.074,529 0.044,530 0.04,531 0.028,532 0.018,533 0.011,534 0.008,535 0.009,536 0.429,537 0.33,538 1,539 1.037,540 185.717,541 0.003,542 -0.042,543 0.034,544 0.02,545 -0.036,546 0.028,547 -0.02,548 0.011,549 -0.015,550 0.017,551 0.008,552 0.006,553 -0.029,554 -0.116,555 -0.127,556 -0.157,557 0.019,558 -0.157,559 -0.041,560 0.053,561 -0.013,562 0.005,563 -0.094,564 0.001,565 -0.052,566 0.032,567 -0.13,568 -0.053,569 -0.18,570 -0.097,571 0.111,572 0.076,573 0.072,574 0.111,575 0.105,576 0.086,577 0.027,578 -0.07,579 0.045,580 -0.011,581 0.151,582 0.014,583 -0.123,584 -0.068,585 -0.104,586 -0.093,587 0.002,588 -0.091,589 2.215,590 5.784,591 0.618,592 39.242,593 1.007,594 1.123,595 1.917,596 3.676,597 0.67,598 3.638,599 3.951,600 4.22,601 4.477,602 4.682,603 4.745,604 4.787,605 4.804,606 4.913,607 4.963,608 8.526,609 0.646,610 458.56,611 3.638,612 5.176,613 6.023,614 6.899,615 7.764,616 8.645,617 9.516,618 10.398,619 11.272,620 12.155,621 6.7,623 1,624 2,626 1,628 2,629 9,630 1,632 4,634 17,635 1,639 1,641 60,642 20,643 2,644 37,645 63,646 26,647 15,648 4,649 8,650 1,651 4,652 5,653 1,654 1,655 1,657 1,658 2,659 17,660 7,661 1,662 2,665 2,666 2,668 1,670 26,671 8,672 3,673 8,677 4,678 0.75,679 4,682 1,684 1,685 1,686 3,689 1,690 1,691 1,696 1,698 1,700 1,702 3,705 1,708 34,712 1,713 4,714 2,715 1,717 2,718 1,720 1,721 1,722 1,724 6.7,725 1,727 2,729 1,731 17.667,732 10.85,733 7.639,734 3.387,735 3.577,736 1.444,737 0.955,738 7.442,739 11.624,740 3.922,741 4.466,742 5.006,743 5.549,744 6.075,745 6.308,746 6.603,747 6.892,748 7.287,749 7.376,750 1,751 53,752 12.593,753 5.405,754 7.912,755 23.646,756 19.378,757 2.412,758 82,759 1,760 270.735,761 173.87,762 52.393,763 104.095,766 173.87,767 374.831,768 52.393,769 8.825,770 43.393,771 128.092,772 76.485,773 33.213,774 52.123,775 258.964,777 270.735,778 226.264,779 104.095,782 270.735,783 61.29,784 42.806,785 60.243,786 132.204,787 33.816,789 270.735,790 156.489,791 173.87,794 270.735,795 39.407,796 97.236,797 49.514,798 144.202,799 270.735,800 156.489,801 173.87,803 0.574,804 0.34,805 0.187,806 0.104,807 23,808 11,809 0.111,810 7,811 1,812 1.095,813 4.516,814 307.378,815 0.095,816 21,817 168.974,820 23.72,821 10.667,822 5.569,823 1.968,824 156.489,825 16.765,826 4.549,828 3.033,830 75.289,831 601.095,832 49.5,835 24.802,836 -0.863,837 60.436,838 67.398,839 0.265,840 0.686,841 0.855,842 0.936,843 0.941,844 0.941,845 5.166,846 1.872,847 6.004,848 5.943,849 4.635,850 5.153,851 2.792,852 6.806,853 4.584,854 6.364,855 1.401,856 7.557,857 5.47,858 4.205,859 4.924,860 1.668,861 7.678,862 4.148,863 7.662,864 1.34,865 9.209,866 3.432,867 6.221,868 7.304,869 3.553,870 10.77,871 6.125,872 8.992,873 1.119,874 10.918,875 3.087,876 6.608,877 7.91,878 3.358,879 12.47,880 6.515,881 10.351,882 1.008,883 12.663,884 2.779,885 8.084,886 9.78,887 4.662,888 15.07,889 7.958,890 11.73,891 1,892 14.434,893 2.48,894 8.852,895 10.806,896 4.94,897 17.122,898 8.727,899 13.128,900 0.922,901 16.224,902 2.275,903 10.109,904 12.461,905 5.964,906 19.55,907 9.958,908 3.089,909 0.567,910 18.029,911 1.687,912 11.06,913 13.711,914 6.464,915 21.756,916 10.906,917 3.073,918 10.315,919 19.845,920 1.376,921 12.228,922 15.269,923 7.35,924 24.119,925 12.052,926 2.795,927 10.247,928 21.67,929 4.469,930 13.267,931 16.636,932 7.957,933 26.392,934 13.081,935 2.406,936 8.586,937 23.503,938 3.771,939 14.4,940 18.153,941 8.773,942 28.732,943 14.195,944 2.287,945 6.929,946 25.343,947 3.258,948 15.479,949 19.581,950 9.434,951 31.034,952 15.261,953 2.16,954 6.646,955 27.187,956 3.066,957 16.6,958 21.081,959 10.211,960 33.365,961 16.364,962 2.07,963 6.256,964 29.036,965 3,966 17.699,967 22.541,968 10.902,969 35.681,970 17.447,971 17516,972 29660,973 24.561,974 40.216,975 55.91,976 59.705,977 57.187,978 54.606,979 54.542,980 70.599,981 12.343,982 155.462,983 53.165,984 5.482,985 5.948,986 6.298,987 5.137,988 5.089,989 7.469,990 3.641,991 17.265,992 5.027,993 18.009,994 1.511,995 1.614,996 1.546,997 1.476,998 1.474,999 1.908,1000 0.334,1001 4.202,1002 1.437,1003 4.089,1004 4.115,1005 4.048,1006 4.02,1007 7.433,1008 4.023,1009 3.963,1010 4.004,1011 3.902,1012 3.858,1013 7.427,1014 3.862,1015 3.867,1016 3.9,1017 3.794,1018 3.736,1019 6.493,1020 3.744,1021 3.539,1022 3.584,1023 3.44,1024 3.447,1025 5.43,1026 3.439,1027 3.485,1028 3.531,1029 3.404,1030 3.355,1031 4.993,1032 3.355,1033 3.391,1034 3.427,1035 3.331,1036 3.145,1037 4.811,1038 3.176,1039 3.275,1040 3.331,1041 3.161,1042 3.045,1043 4.406,1044 3.066,1045 3.167,1046 3.216,1047 3.065,1048 2.928,1049 4.344,1050 2.965,1051 0.122,1052 0.107,1053 0.177,1054 0.11,1055 0.083,1056 4.529,1057 0.121,1058 3.948,1059 0.056,1060 6.531,1061 0.279,1062 4.069,1063 0.082,1064 3.089,1065 4.469,1066 2.071,1067 10.315,1068 3.027,1069 2.049,1070 2.027,1071 2.127,1072 2.133,1073 1.272,1074 2.133,1075 1.897,1076 1.878,1077 1.995,1078 2.003,1079 1.227,1080 1.999,1081 1.667,1082 1.626,1083 1.833,1084 1.861,1085 1.075,1086 1.849,1087 1.61,1088 1.548,1089 1.803,1090 1.819,1091 1.048,1092 1.819,1093 1.546,1094 1.503,1095 1.749,1096 1.677,1097 0.832,1098 1.703,1099 1.295,1100 1.252,1101 1.546,1102 1.557,1103 0.694,1104 1.53,1105 1.25,1106 1.19,1107 1.486,1108 1.472,1109 0.56,1110 1.477,1111 1.081,1112 1.044,1113 1.245,1114 1.348,1115 0.281,1116 1.344,1117 4.317,1118 5.631,1119 2.398,1120 7.136,1121 4.727,1122 8.731,1123 6.823,1124 10.374,1125 1.953,1129 9.029,1130 1.52,1131 4.557,1132 5.962,1134 -1.06,1135 1.881,1137 5.367,1138 2.537,1139 38.74,1140 93.991,1141 243.249,1142 303.129,1143 331.659,1144 333.659,1145 333.659,1146 78.123,1147 8.047,1148 103.79,1149 103.79,1150 23,1151 12.691,1152 4.392,1153 3.755,1154 57.247,1155 179,1156 154,1157 0.155,1158 238.631,1159 423.7,1160 574.02,1161 41136,1163 24.079,1164 0.708,1165 0.554,1166 24.079,1167 18.823,1168 16.478,1169 0.445,1170 0.296,1171 10.813,1172 15.826,1173 10.548,1174 8.735,1175 16.478,1176 10.97,1177 14.552,1178 0.285,1179 0.163,1180 14.552,1181 8.314,1182 12.219,1183 0.182,1184 0.088,1185 12.219,1186 5.915,1187 10.143,1188 0.117,1189 0.049,1190 10.143,1191 4.268,1192 8.06,1193 0.075,1194 0.026,1195 8.06,1196 2.778,1197 0.252,1198 103.624,1199 0.202,1200 31.994,1201 0.404,1202 176,1203 539.312,1204 192.988,1205 520.515,1206 695.88,1207 484,1208 206,1209 497.408,1210 223.545,1211 504.447,1212 728.87,1213 472,1214 6.62} {0 CHEMBL325163,1 1.743,2 15.48,3 2.557,4 6.536,5 174.343,6 7.672,7 0.226,8 4.614,9 4.731,10 4.168,11 4.057,12 5.77,13 4.064,14 5.205,15 5.372,16 4.557,17 4.464,18 6.602,19 4.438,20 5.516,21 5.729,22 4.647,23 4.676,24 6.65,25 4.622,26 5.65,27 5.858,28 4.738,29 4.742,30 6.856,31 4.705,32 5.751,33 5.97,34 4.838,35 4.788,36 7.086,37 4.754,38 5.794,39 6.017,40 4.823,41 4.826,42 7.027,43 4.781,44 5.817,45 6.034,46 4.84,47 4.866,48 7.005,49 4.819,50 5.812,51 6.035,52 4.823,53 4.852,54 7.068,55 4.783,56 0.345,57 1.494,58 18.432,59 8.548,60 51.511,61 10.664,62 1.569,63 2.662,64 39.071,65 14.32,66 210.404,67 18.793,68 1.533,69 2.827,70 56.557,71 19.41,72 205.352,73 26.523,74 1.821,75 3.243,76 65.8,77 20.783,78 273.845,79 27.841,80 2.526,81 3.461,82 75.309,83 22.123,84 374.588,85 30.258,86 2.591,87 3.476,88 79.252,89 23.168,90 353.163,91 31.672,92 2.571,93 3.378,94 80.27,95 23.484,96 362.953,97 32.558,98 2.447,99 3.213,100 78.708,101 24.09,102 362.69,103 34.723,104 87,105 72,106 0.259,107 0.561,108 0.764,109 0.871,110 0.883,111 0.888,112 3.935,113 0.935,114 -2.69,115 -2.7,116 -2.63,117 37,119 6,120 2,122 7,123 1,125 1,128 8,129 4,136 4,137 1,145 1,147 20,149 2,150 3,152 5,153 4,154 23,157 1,158 6,159 4,160 1,161 8,163 21,166 10,169 10,171 18,173 5,174 11,176 3,177 1,178 9,180 18,181 1,182 13,184 5,185 2,186 8,189 18,191 1,192 10,193 3,194 1,195 9,197 18,199 5,200 13,203 6,204 2,205 10,207 12,209 3,210 14,213 5,214 2,215 9,216 11,219 6822,220 33.205,221 33.205,222 33.205,223 33.205,224 33.205,225 31.156,226 35.847,227 19.871,228 34.002,229 26.07,230 26.07,231 26.07,232 26.07,233 26.07,234 22.63,235 32.855,236 9.343,237 27.22,238 4.781,239 2.751,240 1.383,241 0.663,242 0.582,243 0.552,244 4.622,248 1622,249 4.899,251 474.401,255 2.298,256 109.348,258 0.5,259 0.67,260 0.67,261 0.8,262 1,263 0.5,264 0.5,265 0.66,266 115,267 774,268 4.591,269 4.47,270 7.283,271 4.297,272 3.4,273 4.145,274 3.825,275 12.423,276 3.131,277 4.227,278 3.971,279 6.64,280 4.098,281 3.094,282 3.566,283 2.186,284 10.589,285 3.096,286 4.047,287 3.798,288 6.152,289 3.799,290 2.823,291 3.338,292 2.071,293 8.945,294 2.759,295 3.987,296 3.716,297 6.06,298 3.709,299 2.759,300 3.154,301 2.005,302 8.69,303 2.632,304 3.891,305 3.637,306 6,307 3.698,308 2.728,309 3.043,310 1.952,311 8.492,312 2.592,313 3.71,314 3.613,315 5.568,316 3.409,317 2.421,318 2.964,319 1.889,320 7.207,321 2.363,322 3.658,323 3.164,324 5.282,325 3.318,326 2.377,327 2.828,328 0.86,329 6.493,330 2.208,331 3.569,332 2.929,333 5.035,334 3.229,335 2.223,336 2.754,337 0.604,338 6.092,339 2.197,340 3.24,341 2.666,342 4.805,343 2.82,344 1.864,345 2.52,346 0.589,347 5.092,348 1.773,349 2.966,350 2.566,351 4.457,352 2.79,353 1.816,354 1.964,355 0.366,356 4.475,357 1.749,358 2.852,359 2.249,360 4.294,361 2.691,362 1.717,363 1.84,364 0.311,365 3.939,366 1.658,367 2.744,368 2.151,369 4.074,370 2.594,371 1.594,372 1.739,373 0.101,374 3.603,375 1.586,376 2.663,377 1.977,378 3.932,379 2.427,380 1.47,381 1.705,383 3.37,384 1.398,385 2.577,386 1.937,387 3.812,388 2.201,389 1.222,390 1.606,392 2.903,393 1.189,394 2.54,395 1.897,396 3.598,397 2.133,398 1.176,399 1.528,401 2.804,402 1.113,403 22.524,404 0.45,405 1.285,406 0.026,407 51.75,408 1.035,409 19.5,410 0.39,411 32.25,412 0.645,413 61.931,414 1.239,415 59.076,416 0.642,417 59.419,418 1.188,419 10.581,420 0.212,421 13.392,422 0.268,423 0.127,424 0.022,425 0.284,426 3,428 0.662,429 1.2,430 0.751,431 1.224,432 0.575,433 1.055,434 0.576,435 0.916,436 0.872,437 1.107,438 0.453,439 1.097,440 0.707,441 0.867,442 0.868,443 1.017,444 0.673,445 1.005,446 1.038,447 1.059,448 1.03,449 1.087,450 1.079,451 1.062,452 0.966,453 0.981,454 0.969,455 0.974,456 0.987,457 0.97,458 1.018,459 0.901,460 1.027,461 0.954,462 1.033,463 0.982,464 1,465 0.823,466 1.031,467 0.952,468 1.046,469 0.991,470 0.674,471 0.812,472 0.923,473 1.092,474 0.728,475 1.099,476 10,477 0.601,478 6.222,479 3.688,480 2.893,481 2.125,482 1.342,483 1.245,484 0.837,485 0.632,486 43868,487 149751,488 1.989,489 45.7,490 6,491 23,494 5,495 2,496 6,498 1.859,499 1.846,500 3.839,501 2.066,506 160.352,507 1.743,508 3.772,509 5.14,510 5.86,511 5.942,512 5.972,513 3.31,514 5.334,515 5.614,516 4.104,517 5027.21,518 10.034,519 102211,523 600.168,524 1.544,525 5.56,526 0.189,527 0.007,528 0.086,529 0.046,530 0.034,531 0.023,532 0.015,533 0.013,534 0.009,535 0.007,536 0.43,537 0.17,538 0.75,539 0.857,540 299.449,541 -0.039,542 -0.07,543 0.019,544 -0.015,545 -0.035,546 0.016,547 0.234,548 0.181,549 0.004,550 -0.007,551 0.234,552 -0.072,553 0.007,554 -0.003,555 0.033,556 0.02,557 0.009,558 0.029,559 -0.153,560 -0.124,561 -0.088,562 -0.072,563 -0.123,564 -0.06,565 -0.025,566 -0.048,567 0.005,568 0.003,569 0.008,570 0.013,571 -0.083,572 0.014,573 -0.052,574 0.019,575 -0.081,576 0.001,577 -0.112,578 0.001,579 -0.074,580 0.021,581 -0.117,582 -0.005,583 0.077,584 -0.076,585 0.006,586 -0.116,587 0.067,588 -0.091,589 5.828,590 7.018,591 0.66,592 70.715,593 1.025,594 1.147,595 1.457,596 2.124,597 0.627,598 3.989,599 4.29,600 4.5,601 4.691,602 4.883,603 4.89,604 5.011,605 5.153,606 5.263,607 5.342,608 9.445,609 0.614,610 705.81,611 3.989,612 5.525,613 6.351,614 7.213,615 8.059,616 8.925,617 9.779,618 10.648,619 11.508,620 12.379,621 5.4,624 5,629 8,632 4,634 12,641 92,642 17,643 2,644 53,645 95,646 34,647 12,648 4,649 8,651 4,652 4,653 1,654 6,655 2,656 1,657 7,659 17,660 17,661 2,662 5,665 5,666 5,669 3,670 42,671 16,672 5,673 16,677 5,678 1,679 8,686 3,693 2,694 1,696 1,699 1,700 1,701 1,702 4,706 3,708 50,712 1,713 13,714 4,715 2,717 3,718 1,719 1,723 3,724 8.7,725 1,727 5,728 1,729 1,731 27.083,732 15.662,733 11.194,734 5.595,735 2.294,736 1.267,737 0.923,738 14.911,739 10.885,740 4.174,741 4.625,742 5.024,743 5.428,744 5.898,745 6.029,746 6.388,747 6.72,748 7.029,749 7.24,750 1,751 80,752 19.478,753 9.084,754 8.295,755 34.4,756 28.131,757 2.795,758 139.75,760 435.531,761 159.3,762 71.629,763 190.53,764 44.88,766 159.3,767 626.061,768 116.51,770 109.036,771 118.616,772 155.543,773 68.623,774 6.763,775 435.531,776 7.76,777 435.531,778 230.929,779 235.41,782 364.904,783 252.231,784 53.806,785 116.796,786 114.133,789 480.411,790 262.159,791 159.3,794 443.29,795 75.731,796 78.934,797 68.505,798 235.41,799 435.531,800 307.04,801 159.3,803 0.576,804 0.33,805 0.17,806 0.093,807 28,808 15,809 0.074,810 7,812 1,813 5.372,814 532.394,816 33,817 269.438,820 39.103,821 19.066,822 11.685,824 307.04,825 11.21,828 -0.044,830 111.311,831 901.871,832 64,835 65.171,836 -3.17,837 94.338,838 105.49,839 0.267,840 0.578,841 0.788,842 0.898,843 0.911,844 0.915,845 5.429,846 2.223,847 6.344,848 6.493,849 4.977,850 5.313,851 4.078,852 7.148,853 4.904,854 6.592,855 1.864,856 7.908,857 6.092,858 4.635,859 5.094,860 4.257,861 8.214,862 4.486,863 7.881,864 1.816,865 9.586,866 5.092,867 6.592,868 7.293,869 5.836,870 11.258,871 6.44,872 9.201,873 1.717,874 11.335,875 4.475,876 7.083,877 7.871,878 6.836,879 13.178,880 6.852,881 10.557,882 1.594,883 13.131,884 3.939,885 8.528,886 9.6,887 8.184,888 15.808,889 8.281,890 11.936,891 1.47,892 14.96,893 3.603,894 9.39,895 10.541,896 9.439,897 18.063,898 9.068,899 13.333,900 1.222,901 16.814,902 3.37,903 10.65,904 12.092,905 10.77,906 20.581,907 10.295,908 3.4,909 1.176,910 18.688,911 2.903,912 11.684,913 13.226,914 12.09,915 22.974,916 11.258,917 3.094,918 12.423,919 20.576,920 2.804,921 12.88,922 14.701,923 13.427,924 25.468,925 12.408,926 2.823,927 10.589,928 22.478,929 4.145,930 13.995,931 15.947,932 14.763,933 27.922,934 13.453,935 2.759,936 8.945,937 24.39,938 3.566,939 15.176,940 17.387,941 16.103,942 30.416,943 14.578,944 2.728,945 8.69,946 26.311,947 3.338,948 16.33,949 18.701,950 17.443,951 32.898,952 15.662,953 2.421,954 8.492,955 28.24,956 3.154,957 17.513,958 20.125,959 18.784,960 35.397,961 16.78,962 2.377,963 7.207,964 30.175,965 3.043,966 18.689,967 21.481,968 20.125,969 37.894,970 17.885,971 42586,972 78978,973 34.383,974 57.705,975 78.733,976 83.257,977 80.303,978 77.857,979 77.531,980 91.382,981 33.521,982 217.869,983 74.616,984 5.591,985 6.47,986 7.085,987 5.4,988 5.4,989 7.145,990 5.528,991 20.149,992 5.131,993 30.116,994 1.486,995 1.571,996 1.515,997 1.469,998 1.463,999 1.724,1000 0.632,1001 4.111,1002 1.408,1003 4.051,1004 4.078,1005 4.001,1006 3.992,1007 8.513,1008 3.989,1009 3.905,1010 3.943,1011 3.835,1012 3.785,1013 7.999,1014 3.788,1015 3.835,1016 3.879,1017 3.752,1018 3.685,1019 7.999,1020 3.689,1021 3.774,1022 3.823,1023 3.687,1024 3.614,1025 7.441,1026 3.621,1027 3.732,1028 3.773,1029 3.63,1030 3.572,1031 7.432,1032 3.581,1033 3.659,1034 3.706,1035 3.575,1036 3.419,1037 7.429,1038 3.443,1039 3.508,1040 3.559,1041 3.384,1042 3.293,1043 7.425,1044 3.303,1045 3.396,1046 3.444,1047 3.326,1048 3.157,1049 7.422,1050 3.167,1051 0.087,1052 0.084,1053 0.137,1054 0.081,1055 0.064,1056 4.591,1057 0.078,1058 4.47,1059 0.072,1060 7.283,1061 0.234,1062 4.297,1063 0.059,1064 3.4,1065 4.145,1066 3.825,1067 12.423,1068 3.131,1069 2.011,1070 1.991,1071 2.107,1072 2.082,1073 1.408,1074 2.09,1075 1.858,1076 1.826,1077 2.008,1078 2.01,1079 1.338,1080 2.004,1081 1.776,1082 1.725,1083 1.986,1084 1.982,1085 1.228,1086 1.975,1087 1.731,1088 1.693,1089 1.929,1090 1.947,1091 1.202,1092 1.952,1093 1.722,1094 1.666,1095 1.897,1096 1.862,1097 1.097,1098 1.871,1099 1.53,1100 1.471,1101 1.744,1102 1.793,1103 0.984,1104 1.777,1105 1.473,1106 1.429,1107 1.687,1108 1.703,1109 0.906,1110 1.695,1111 1.355,1112 1.3,1113 1.599,1114 1.641,1115 0.825,1116 1.626,1117 4.673,1118 5.979,1120 7.465,1122 9.033,1124 10.648,1126 41.021,1129 9.605,1130 2.438,1131 9.533,1132 10.442,1134 -3.438,1135 1.56,1136 -4.578,1139 56.511,1140 160.352,1141 347.047,1142 472.909,1143 539.148,1144 546.658,1145 549.413,1146 237.19,1147 8.591,1148 175.4,1149 175.4,1150 33,1151 12.924,1152 4.17,1153 3.585,1154 103.726,1155 271,1156 320,1157 0.172,1158 344.671,1159 640.01,1160 832.757,1161 85941,1162 3.3,1163 36.097,1164 0.722,1165 0.549,1166 33.597,1167 27.429,1168 23.973,1169 0.452,1170 0.312,1171 16.177,1172 22.603,1173 16.022,1174 13.107,1175 22.761,1176 16.513,1177 21.581,1178 0.3,1179 0.168,1180 19.586,1181 12.106,1182 16.957,1183 0.191,1184 0.098,1185 16.203,1186 8.715,1187 13.169,1188 0.122,1189 0.056,1190 12.415,1191 6.013,1192 10.695,1193 0.082,1194 0.031,1195 9.958,1196 4.094,1197 0.271,1198 154.037,1199 0.171,1200 42.644,1201 0.473,1202 250,1203 1041.61,1204 295.579,1205 892.224,1206 1135.1,1207 824,1208 286,1209 757.221,1210 323.077,1211 733.149,1212 1083.85,1213 688,1214 5.699} {0 CHEMBL402393,1 1.846,2 12.788,3 2.563,4 6.568,5 112.513,6 8.564,7 0.444,8 4.126,9 4.231,10 3.78,11 3.603,12 5.365,13 3.632,14 4.686,15 4.825,16 4.217,17 4.009,18 6.267,19 4.025,20 4.937,21 5.122,22 4.255,23 4.162,24 6.231,25 4.144,26 5.052,27 5.259,28 4.274,29 4.148,30 6.339,31 4.134,32 5.012,33 5.216,34 4.215,35 4.079,36 6.385,37 4.086,38 4.938,39 5.121,40 4.218,41 4.031,42 6.468,43 4.052,44 4.868,45 5.084,46 3.945,47 3.93,48 6.265,49 3.9,50 4.68,51 4.915,52 3.695,53 3.713,54 5.897,55 3.663,56 0.321,57 1.01,58 8.662,59 4.986,60 44.077,61 5.359,62 1.134,63 1.93,64 18.947,65 8.304,66 169.484,67 9.348,68 1.056,69 1.839,70 27.071,71 10.419,72 139.96,73 13.235,74 1.417,75 1.975,76 33.444,77 11.015,78 161.9,79 13.967,80 1.486,81 1.964,82 34.301,83 11.348,84 202.688,85 12.881,86 1.402,87 2.051,88 29.708,89 10.704,90 188.499,91 11.325,92 1.317,93 1.737,94 30.042,95 10.315,96 183.224,97 11.534,98 0.953,99 1.228,100 25.906,101 8.513,102 126.561,103 10.711,104 42,105 52,106 0.304,107 0.675,108 0.825,109 0.885,110 0.885,111 0.885,112 3.532,113 0.852,114 -3.59,115 -3.56,116 -3.39,117 40.7,119 2,120 1,122 2,123 1,125 1,128 7,129 3,132 1,134 1,135 1,136 2,143 1,145 1,147 10,150 8,152 2,153 4,154 12,158 7,159 1,161 3,163 9,165 1,166 8,167 3,168 1,169 3,171 8,174 5,176 1,177 1,178 2,180 9,181 2,182 7,184 1,186 2,189 9,192 7,193 1,195 4,197 7,200 4,205 4,207 5,209 2,210 3,213 2,215 4,216 3,219 1762,220 21.911,221 21.911,222 21.911,223 21.911,224 21.911,225 19.846,226 24.645,227 12.704,228 22.468,229 17.703,230 17.703,231 17.703,232 17.703,233 17.703,234 14.405,235 30.284,236 5.94,237 18.578,238 3.909,239 1.66,240 0.748,241 0.384,242 0.384,243 0.384,244 4.222,246 1,247 1,248 905,249 4.359,250 79.702,251 323.732,253 150.855,255 2.028,256 65.147,258 1,259 0.83,260 1,261 0.8,262 0.5,263 1,264 1,265 0.88,266 76.5,267 422,268 4.736,269 4.475,270 7.32,271 4.359,272 3.453,273 4.608,274 3.825,275 12.644,276 3.185,277 4.215,278 3.944,279 6.462,280 4.004,281 3.015,282 3.77,283 2.071,284 9.991,285 2.976,286 4.143,287 3.574,288 6.455,289 3.805,290 2.895,291 3.44,292 1.058,293 9.879,294 2.792,295 4.052,296 3.224,297 6.024,298 3.757,299 2.773,300 3.217,301 0.86,302 8.57,303 2.499,304 3.735,305 3.214,306 5.47,307 3.395,308 2.399,309 3.061,310 0.68,311 7.176,312 2.385,313 3.325,314 2.703,315 5.128,316 3.037,317 2.047,318 2.607,319 0.589,320 5.907,321 2.013,322 3.226,323 2.647,324 5.036,325 2.852,326 1.886,327 2.3,329 5.647,330 1.806,331 3.042,332 2.152,333 4.62,334 2.539,335 1.574,336 2.284,338 4.501,339 1.508,340 2.809,341 2.074,342 4.155,343 2.44,344 1.524,345 1.838,347 3.669,348 1.398,349 2.675,350 1.861,351 3.802,352 2.204,353 1.248,354 1.736,356 2.917,357 1.175,358 2.5,359 1.65,360 3.64,361 2.147,362 1.19,363 1.5,365 2.876,366 1.115,367 2.403,368 1.513,369 3.574,370 2.099,371 1.119,372 1.375,374 2.6,375 1.089,376 2.184,377 1.322,378 3.559,379 2,380 1,381 1.155,383 2.275,384 1,385 2.139,386 1,387 3.414,388 1.694,389 0.733,390 0.998,392 1.95,393 0.699,394 1.47,395 0.96,396 2.91,397 1.27,398 0.253,399 0.278,401 0.378,402 0.254,403 14.79,404 0.448,405 0.984,406 0.03,407 38.5,408 1.167,409 17,410 0.515,411 21.5,412 0.652,413 29.722,414 0.901,415 37.41,416 0.693,417 35.622,418 1.079,419 8.044,420 0.244,421 7.73,422 0.234,423 0.126,424 0.034,425 0.331,426 3,428 0.625,429 0.977,430 0.651,431 1.037,432 0.602,433 0.908,434 0.592,435 0.869,436 0.774,437 1.039,438 0.448,439 1.009,440 0.609,441 0.835,442 0.837,443 1.073,444 0.549,445 1.067,446 0.755,447 0.797,448 0.933,449 0.969,450 0.84,451 1.015,452 1.152,453 1.015,454 1.008,455 0.919,456 1.206,457 0.907,458 1.231,459 1.261,460 1.082,461 1.072,462 1.251,463 1.031,464 1.218,465 1.124,466 1.211,467 1.052,468 1.216,469 1.101,470 0.941,471 0.923,472 0.99,473 1.038,474 0.915,475 1.04,476 7.5,477 0.136,478 4.444,479 2.694,480 2.317,481 1.601,482 0.806,483 0.4,484 0.393,485 0.291,486 15747,487 58518,488 2.036,489 38.9,490 2,491 12,492 1,494 3,495 1,497 2,498 1.75,499 1.877,500 3.561,501 0.922,503 1,506 99.663,507 1.846,508 4.095,509 5.007,510 5.371,511 5.371,512 5.371,513 2.949,514 4.56,515 5.02,516 3.809,517 2011.35,518 8.776,519 30899.1,523 310.764,524 1.628,525 4.954,526 0.208,527 0.005,528 0.085,529 0.05,530 0.045,531 0.032,532 0.016,533 0.011,534 0.014,535 0.011,536 0.478,537 0.33,538 0.88,539 0.998,540 176.417,541 -0.02,542 0.01,543 0.016,544 0.044,545 -0.062,546 0.043,547 0.221,548 0.174,549 0.026,550 0.008,551 0.283,552 -0.056,553 0.057,554 -0.026,555 0.02,556 -0.078,557 0.074,558 -0.061,559 0.043,560 0.019,561 0.009,562 -0.027,563 -0.045,564 -0.03,565 -0.144,566 -0.072,567 -0.002,568 0.069,569 -0.145,570 0.091,571 -0.134,572 -0.163,573 -0.099,574 -0.058,575 -0.081,576 -0.062,577 -0.174,578 -0.027,579 -0.19,580 -0.03,581 -0.131,582 -0.084,583 -0.087,584 -0.082,585 0.034,586 -0.044,587 -0.077,588 0.027,589 5.845,590 5.65,591 0.636,592 33.739,593 1.039,594 1.148,595 2.359,596 5.564,597 0.653,598 3.611,599 3.97,600 4.234,601 4.5,602 4.736,603 4.812,604 4.86,605 4.949,606 5.037,607 5.1,608 7.773,609 0.655,610 462.47,611 3.611,612 5.176,613 6.033,614 6.93,615 7.81,616 8.712,617 9.6,618 10.504,619 11.396,620 12.301,621 7.4,624 2,625 1,626 1,628 1,629 8,630 1,632 4,634 16,635 1,641 54,642 18,643 1,644 36,645 57,646 22,647 13,648 2,649 4,650 1,651 4,652 5,653 1,654 2,655 1,656 1,657 3,659 15,660 7,661 1,662 2,665 2,666 2,668 1,669 3,670 21,671 10,672 3,673 11,677 4,678 0.75,679 4,681 1,682 1,685 1,686 3,688 1,696 1,700 1,701 1,702 3,706 3,708 33,712 1,713 4,714 2,715 1,717 2,719 1,723 3,724 7.4,725 1,727 2,728 1,731 17.583,732 9.362,733 7.167,734 3.072,735 3.319,736 1.414,737 0.959,738 6.704,739 11.339,740 3.85,741 4.44,742 5.006,743 5.578,744 6.106,745 6.427,746 6.779,747 7.175,748 7.42,749 7.731,750 1,751 54,752 12.84,753 6.207,754 8.381,755 22.28,756 18.594,757 2.881,758 95.083,759 1,760 211.88,761 121.261,762 50.31,763 104.095,764 44.88,766 121.261,767 315.975,768 95.191,770 46.737,771 118.187,772 87.362,773 58.358,774 13.915,775 200.109,776 7.76,777 211.88,778 171.572,779 148.976,782 188.338,783 118.712,784 53.806,785 58.418,786 96.491,787 16.663,789 256.76,790 154.406,791 121.261,794 219.639,795 38.121,796 76.545,797 32.483,798 165.639,799 211.88,800 199.286,801 121.261,803 0.59,804 0.344,805 0.183,806 0.104,807 25,808 12,809 0.088,810 5,811 1,812 1.095,813 4.295,814 305.871,815 0.095,816 21,817 155.71,820 23.243,821 9.517,822 5.034,823 0.361,824 198.122,825 12.495,826 3.686,828 -0.007,830 75.289,831 532.427,832 46,835 24.453,836 -1.083,837 56.091,838 62.002,839 0.321,840 0.712,841 0.87,842 0.933,843 0.933,844 0.933,845 5.118,846 1.574,847 6.061,848 5.647,849 4.654,850 5.127,851 3.52,852 6.93,853 4.568,854 6.339,855 1.524,856 7.665,857 4.501,858 4.443,859 5.047,860 3.979,861 8.1,862 4.247,863 7.667,864 1.248,865 9.38,866 3.669,867 6.344,868 7.327,869 5.545,870 11.159,871 6.161,872 9.032,873 1.19,874 11.161,875 2.917,876 6.938,877 8.07,878 6.723,879 13.139,880 6.642,881 10.43,882 1.119,883 12.986,884 2.876,885 8.366,886 9.879,887 8.089,888 15.793,889 8.058,890 11.853,891 1,892 14.84,893 2.6,894 9.302,895 11.013,896 9.4,897 18.087,898 8.892,899 13.295,900 0.733,901 16.716,902 2.275,903 10.567,904 12.639,905 10.743,906 20.629,907 10.119,908 3.453,909 0.253,910 18.609,911 1.95,912 11.652,913 13.969,914 12.078,915 23.052,916 11.111,917 3.015,918 12.644,919 20.515,920 0.378,921 12.865,922 15.524,923 13.419,924 25.569,925 12.267,926 2.895,927 9.991,928 22.433,929 4.608,930 14.016,931 16.952,932 14.759,933 28.049,934 13.332,935 2.773,936 9.879,937 24.359,938 3.77,939 15.218,940 18.48,941 16.1,942 30.565,943 14.465,944 2.399,945 8.57,946 26.294,947 3.44,948 16.401,949 19.957,950 17.442,951 33.071,952 15.563,953 2.047,954 7.176,955 28.235,956 3.217,957 17.606,958 21.478,959 18.783,960 35.593,961 16.691,962 1.886,963 5.907,964 30.182,965 3.061,966 18.807,967 22.979,968 20.125,969 38.113,970 17.807,971 15120,972 29329,973 23.463,974 35.267,975 55.068,976 57.899,977 56.472,978 54.559,979 54.258,980 68.377,981 18.167,982 162.047,983 51.824,984 5.736,985 6.475,986 7.002,987 5.435,988 5.453,989 7.608,990 5.395,991 20.521,992 5.185,993 18.939,994 1.53,995 1.608,996 1.569,997 1.516,998 1.507,999 1.899,1000 0.505,1001 4.501,1002 1.44,1003 4.143,1004 4.187,1005 4.117,1006 4.014,1007 8.513,1008 4.03,1009 3.944,1010 3.976,1011 3.886,1012 3.845,1013 7.999,1014 3.85,1015 3.841,1016 3.874,1017 3.755,1018 3.696,1019 7.999,1020 3.704,1021 3.533,1022 3.571,1023 3.516,1024 3.384,1025 7.433,1026 3.394,1027 3.413,1028 3.455,1029 3.348,1030 3.146,1031 7.427,1032 3.182,1033 3.343,1034 3.38,1035 3.261,1036 3.099,1037 6.493,1038 3.125,1039 3.123,1040 3.18,1041 3.068,1042 2.839,1043 5.029,1044 2.879,1045 2.999,1046 3.082,1047 2.876,1048 2.735,1049 4.694,1050 2.725,1051 0.132,1052 0.124,1053 0.203,1054 0.121,1055 0.096,1056 4.736,1057 0.128,1058 4.475,1059 0.106,1060 7.32,1061 0.351,1062 4.359,1063 0.088,1064 3.453,1065 4.608,1066 3.825,1067 12.644,1068 3.185,1069 1.966,1070 1.941,1071 2.067,1072 2.072,1073 1.356,1074 2.068,1075 1.877,1076 1.841,1077 1.997,1078 2.033,1079 1.244,1080 2.022,1081 1.801,1082 1.762,1083 1.963,1084 1.967,1085 1.058,1086 1.968,1087 1.547,1088 1.515,1089 1.636,1090 1.75,1091 0.833,1092 1.699,1093 1.292,1094 1.243,1095 1.538,1096 1.608,1097 0.804,1098 1.565,1099 1.217,1100 1.181,1101 1.354,1102 1.504,1103 0.479,1104 1.459,1105 1.013,1106 0.952,1107 1.243,1108 1.303,1109 0.361,1110 1.298,1111 0.911,1112 0.841,1113 1.181,1114 1.271,1115 0.218,1116 1.27,1117 4.29,1118 5.638,1119 2.398,1120 7.177,1121 4.844,1122 8.799,1123 7.066,1124 10.464,1126 40.543,1129 8.884,1130 0.817,1131 4.342,1132 5.242,1134 -1.255,1136 -4.595,1139 35.363,1140 99.663,1141 221.138,1142 270.358,1143 290.009,1144 290.009,1145 290.009,1146 96.918,1147 8.019,1148 104.96,1149 104.96,1150 23,1151 12.822,1152 4.248,1153 3.459,1154 54.579,1155 160,1156 138,1157 0.17,1158 212.639,1159 380.63,1160 510.598,1161 37920,1162 5.6,1163 23.587,1164 0.715,1165 0.524,1166 21.087,1167 17.302,1168 15.774,1169 0.438,1170 0.284,1171 9.997,1172 14.831,1173 9.912,1174 8.087,1175 14.563,1176 10.226,1177 14.904,1178 0.287,1179 0.149,1180 12.909,1181 7.755,1182 12.023,1183 0.177,1184 0.083,1185 11.242,1186 5.627,1187 9.856,1188 0.111,1189 0.044,1190 9.203,1191 3.934,1192 8.135,1193 0.072,1194 0.024,1195 7.476,1196 2.724,1197 0.271,1198 101.706,1199 0.206,1200 30.814,1201 0.453,1202 176,1203 765.646,1204 209.673,1205 645.531,1206 832.91,1207 596,1208 208,1209 576.178,1210 236.73,1211 556.803,1212 833.48,1213 522,1214 5.272} {0 CHEMBL402436,1 1.69,2 14.297,3 2.903,4 8.429,5 140.182,6 7.731,7 0.4,8 4.316,9 4.431,10 3.933,11 3.829,12 5.459,13 3.802,14 4.864,15 5.033,16 4.322,17 4.225,18 5.984,19 4.185,20 5.129,21 5.306,22 4.381,23 4.386,24 6.256,25 4.318,26 5.297,27 5.534,28 4.399,29 4.379,30 6.411,31 4.308,32 5.165,33 5.351,34 4.373,35 4.367,36 6.384,37 4.299,38 5.158,39 5.344,40 4.33,41 4.431,42 6.4,43 4.323,44 5.283,45 5.536,46 4.214,47 4.377,48 6.453,49 4.241,50 5.104,51 5.362,52 4.078,53 4.16,54 6.186,55 4.069,56 0.147,57 1.018,58 14.299,59 6.327,60 18.123,61 7.946,62 0.589,63 1.639,64 30.618,65 10.343,66 49.942,67 13.809,68 0.641,69 1.977,70 37.03,71 13.449,72 89.659,73 17.399,74 1.048,75 2.141,76 51.294,77 14.731,78 128.968,79 19.66,80 1.129,81 1.928,82 43.679,83 13.441,84 133.509,85 16.386,86 0.847,87 1.977,88 41.834,89 15.803,90 132.647,91 20.245,92 1.113,93 2.046,94 49.599,95 16.803,96 170.233,97 23.507,98 0.584,99 1.705,100 40.044,101 12.655,102 80.602,103 17.92,104 79,105 58,106 0.266,107 0.615,108 0.777,109 0.833,110 0.837,111 0.837,112 3.642,113 0.985,114 -3.37,115 -3.36,116 -3.21,117 38.2,118 3,120 1,121 1,122 3,123 1,124 1,128 8,129 2,132 1,135 1,136 2,137 1,139 1,145 1,147 9,149 4,150 11,152 2,153 3,154 11,158 8,159 2,161 3,163 4,165 1,166 16,167 2,168 1,169 2,171 5,173 1,174 5,176 3,177 1,178 1,180 10,181 3,182 5,184 3,186 1,189 14,191 3,192 7,193 4,195 6,197 9,200 10,205 7,207 4,209 1,210 11,213 1,215 8,216 4,219 2657,220 24.359,221 24.359,222 24.359,223 24.359,224 24.359,225 22.126,226 28.493,227 13.966,228 25.086,229 19.612,230 19.612,231 19.612,232 19.612,233 19.612,234 15.994,235 36.835,236 6.475,237 20.582,238 4.397,239 2.176,240 1.148,241 0.795,242 0.765,243 0.765,244 4.329,247 1,248 1122,249 4.95,250 217.64,251 248.803,253 183.076,255 2.219,256 47.954,258 0.75,259 0.67,260 0.83,261 0.9,262 1,263 0.67,264 0.5,265 0.76,266 81.5,267 529,268 4.63,269 4.368,270 6.756,271 4.136,272 3.199,273 4.574,274 2.95,275 11.098,276 3.049,277 4.267,278 3.96,279 6.574,280 4.126,281 3.187,282 3.771,283 2.208,284 10.474,285 2.979,286 4.185,287 3.839,288 6.447,289 4.029,290 3.064,291 3.352,292 2.071,293 10.103,294 2.921,295 4.077,296 3.573,297 6.03,298 3.798,299 2.795,300 3.185,301 1.058,302 8.606,303 2.8,304 3.754,305 3.273,306 5.834,307 3.448,308 2.483,309 3.116,310 0.655,311 7.901,312 2.384,313 3.691,314 3.177,315 5.594,316 3.395,317 2.402,318 2.934,319 0.589,320 7.31,321 2.371,322 3.556,323 3.114,324 5.284,325 3.086,326 2.171,327 2.804,328 0.522,329 6.568,330 1.98,331 3.202,332 2.699,333 5.036,334 2.933,335 1.952,336 2.458,337 0.13,338 5.663,339 1.894,340 3.145,341 2.647,342 4.829,343 2.647,344 1.714,345 2.245,347 5.123,348 1.589,349 2.856,350 2.373,351 4.201,352 2.37,353 1.393,354 2.018,356 3.7,357 1.355,358 2.792,359 2.028,360 3.973,361 2.36,362 1.371,363 1.796,365 2.993,366 1.336,367 2.5,368 1.9,369 3.781,370 2.039,371 1.063,372 1.5,374 2.915,375 1.022,376 2.315,377 1.743,378 3.679,379 2,380 1,381 1.225,383 2.4,384 1,385 2.223,386 1.455,387 3.575,388 1.895,389 0.924,390 1.121,392 2.275,393 0.89,394 1.998,395 1.384,396 3.414,397 1.801,398 0.855,399 0.95,401 2.181,402 0.799,403 17.5,404 0.473,405 1.168,406 0.032,407 43.25,408 1.169,409 19,410 0.514,411 24.25,412 0.655,413 38.876,414 1.051,415 41.3,416 0.607,417 38.17,418 1.032,419 8.336,420 0.225,421 9.254,422 0.25,423 0.19,424 0.029,425 0.331,428 0.735,429 1.357,430 0.766,431 1.053,432 0.628,433 0.984,434 0.622,435 1.131,436 0.898,437 1.053,438 0.502,439 0.907,440 1.089,441 1.269,442 0.977,443 1.096,444 0.835,445 1.153,446 1.257,447 0.858,448 0.952,449 0.79,450 1.268,451 0.81,452 1.573,453 0.798,454 1.218,455 0.833,456 1.797,457 0.93,458 0.674,459 1.144,460 1.097,461 1.236,462 0.741,463 1.217,464 0.496,465 0.951,466 0.801,467 0.961,468 0.546,469 1.003,470 0.926,471 0.962,472 0.723,473 0.854,474 0.894,475 0.883,476 9.5,477 0.231,478 4.667,479 3.208,480 2.464,481 1.57,482 1.055,483 0.732,484 0.539,485 0.341,486 21658,487 62812,488 2.001,489 45.6,491 18,494 3,495 1,496 9,498 1.779,499 1.827,500 3.741,501 0.836,506 114.937,507 1.69,508 3.912,509 4.94,510 5.293,511 5.322,512 5.322,513 3.189,514 4.844,515 5.183,516 4.002,517 2665.29,518 9.109,519 44961.6,523 413.947,524 1.668,525 5.109,526 0.237,527 0.007,528 0.08,529 0.055,530 0.042,531 0.028,532 0.019,533 0.015,534 0.013,535 0.009,536 0.507,537 0.33,538 0.75,539 1.281,540 206.013,541 -0.009,542 -0.126,543 0.055,544 0.008,545 -0.049,546 0.012,547 0.2,548 0.024,549 0.074,550 0.004,551 0.11,552 0.08,553 -0.095,554 -0.208,555 -0.113,556 -0.137,557 -0.032,558 -0.188,559 -0.117,560 0.126,561 0.048,562 0.131,563 -0.107,564 0.13,565 -0.229,566 0.249,567 -0.179,568 0.157,569 -0.257,570 -0.002,571 0.182,572 -0.117,573 -0.132,574 -0.167,575 0.178,576 -0.192,577 0.308,578 -0.046,579 0.103,580 -0.018,581 0.284,582 0.016,583 -0.029,584 -0.045,585 0.137,586 0.017,587 0.028,588 0.097,589 2.344,590 6.007,591 0.541,592 45.492,593 1.01,594 1.13,595 2.144,596 4.597,597 0.66,598 3.714,599 4.078,600 4.317,601 4.595,602 4.796,603 4.898,604 4.99,605 5.1,606 5.118,607 5.159,608 8.641,609 0.628,610 525.69,611 3.714,612 5.283,613 6.133,614 7.033,615 7.904,616 8.806,617 9.687,618 10.589,619 11.475,620 12.376,621 7.4,624 3,625 1,626 1,628 2,629 8,630 1,632 3,633 1,634 16,635 1,641 68,642 19,643 2,644 40,645 71,646 26,647 13,648 4,649 8,650 1,651 4,652 5,653 3,654 1,655 1,657 1,659 16,660 10,661 2,662 3,665 3,666 3,670 31,671 9,672 3,673 11,674 1,676 1,677 5,678 0.75,679 5,684 1,685 2,686 2,688 1,696 1,699 1,700 1,702 3,703 1,704 1,705 4,708 37,712 1,713 3,714 2,715 1,716 1,717 2,718 1,719 1,724 7.4,725 1,727 3,729 1,731 20.25,732 13.217,733 8.069,734 3.808,735 3.28,736 1.398,737 0.932,738 8.363,739 11.522,740 3.951,741 4.53,742 5.052,743 5.607,744 6.088,745 6.376,746 6.734,747 7.123,748 7.324,749 7.651,750 1,751 58,752 13.805,753 6.002,754 7.935,755 25.83,756 21.271,757 2.435,758 90.083,760 329.591,761 175.537,762 54.292,763 129.24,765 32.22,766 143.317,767 458.831,768 54.292,769 33.666,770 41.925,771 118.616,772 101.63,773 22.107,774 8.907,775 361.81,777 329.591,778 197.61,779 129.24,780 32.22,782 223.651,783 192.375,784 42.806,785 73.137,786 107.687,787 16.786,788 32.22,789 329.591,790 183.533,791 175.537,794 329.591,795 66.061,796 114.499,797 32.483,798 146.026,799 329.591,800 183.533,801 175.537,803 0.59,804 0.336,805 0.182,806 0.1,807 27,808 14,809 0.113,810 8,811 1,812 1.1,813 4.601,814 352.659,815 0.1,816 20,817 183.995,818 1,820 27.299,821 11.335,822 6.4,823 1.971,824 181.634,825 15.175,826 4.671,828 2.333,829 2.136,830 75.289,831 688.66,832 51,835 37.748,836 -1.638,837 68.709,838 76.856,839 0.278,840 0.643,841 0.811,842 0.869,843 0.874,844 0.874,845 5.226,846 1.952,847 6.168,848 6.568,849 4.762,850 5.218,851 3.655,852 7.022,853 4.677,854 6.447,855 1.714,856 7.762,857 5.663,858 4.575,859 5.156,860 2.328,861 8.116,862 4.453,863 7.773,864 1.393,865 9.456,866 5.123,867 6.444,868 7.388,869 5.367,870 11.131,871 6.271,872 9.13,873 1.371,874 11.206,875 3.7,876 7.022,877 8.114,878 4.186,879 12.981,880 6.803,881 10.515,882 1.063,883 12.989,884 2.993,885 8.422,886 9.896,887 7.351,888 15.562,889 8.157,890 11.921,891 1,892 14.796,893 2.915,894 9.319,895 11.005,896 5.866,897 17.711,898 9,899 13.342,900 0.924,901 16.617,902 2.4,903 10.551,904 12.616,905 9.433,906 20.151,907 10.187,908 3.199,909 0.855,910 18.451,911 2.275,912 11.587,913 13.925,914 7.477,915 22.427,916 11.165,917 3.187,918 11.098,919 20.294,920 2.181,921 12.758,922 15.47,923 11.555,924 24.819,925 12.288,926 3.064,927 10.474,928 22.144,929 4.574,930 13.854,931 16.883,932 9.058,933 27.149,934 13.325,935 2.795,936 10.103,937 24,938 3.771,939 15.006,940 18.403,941 13.698,942 29.527,943 14.425,944 2.483,945 8.606,946 25.861,947 3.352,948 16.129,949 19.869,950 10.625,951 31.883,952 15.489,953 2.402,954 7.901,955 27.726,956 3.185,957 17.275,958 21.382,959 15.851,960 34.259,961 16.581,962 2.171,963 7.31,964 29.595,965 3.116,966 18.411,967 22.874,968 12.186,969 36.627,970 17.659,971 20945,972 35821,973 25.66,974 44.847,975 61.146,976 68.691,977 63.07,978 60.196,979 60.209,980 75.356,981 20.366,982 180.284,983 57.665,984 5.588,985 6.368,986 6.437,987 5.209,988 5.199,989 7.574,990 5.9,991 18.085,992 5.049,993 23.865,994 1.529,995 1.717,996 1.577,997 1.505,998 1.505,999 1.884,1000 0.509,1001 4.507,1002 1.442,1003 4.127,1004 4.165,1005 4.162,1006 4.019,1007 7.436,1008 4.026,1009 3.96,1010 4,1011 3.905,1012 3.858,1013 7.429,1014 3.86,1015 3.871,1016 3.902,1017 3.806,1018 3.733,1019 7.427,1020 3.746,1021 3.71,1022 3.758,1023 3.668,1024 3.547,1025 6.493,1026 3.544,1027 3.476,1028 3.52,1029 3.59,1030 3.394,1031 5.014,1032 3.347,1033 3.388,1034 3.426,1035 3.35,1036 3.172,1037 4.691,1038 3.161,1039 3.33,1040 3.369,1041 3.306,1042 3.043,1043 4.566,1044 3.107,1045 3.148,1046 3.226,1047 3.129,1048 2.97,1049 4.325,1050 2.939,1051 0.116,1052 0.109,1053 0.169,1054 0.103,1055 0.08,1056 4.63,1057 0.114,1058 4.368,1059 0.074,1060 6.756,1061 0.277,1062 4.136,1063 0.076,1064 3.199,1065 4.574,1066 2.95,1067 11.098,1068 3.049,1069 1.962,1070 1.934,1071 2.06,1072 2.062,1073 1.239,1074 2.063,1075 1.886,1076 1.861,1077 1.988,1078 1.976,1079 1.21,1080 1.98,1081 1.701,1082 1.654,1083 1.947,1084 1.916,1085 1.12,1086 1.919,1087 1.671,1088 1.629,1089 1.837,1090 1.864,1091 1.079,1092 1.854,1093 1.504,1094 1.458,1095 1.687,1096 1.746,1097 0.969,1098 1.735,1099 1.464,1100 1.403,1101 1.588,1102 1.665,1103 0.79,1104 1.667,1105 1.227,1106 1.184,1107 1.503,1108 1.493,1109 0.65,1110 1.481,1111 1.078,1112 1.019,1113 1.417,1114 1.391,1115 0.469,1116 1.402,1117 4.394,1118 5.746,1119 3.045,1120 7.27,1121 5.476,1122 8.87,1123 7.636,1124 10.511,1125 7.236,1129 9.16,1130 0.703,1131 4.467,1132 5.393,1133 1.576,1134 -1.506,1135 1.359,1136 -0.7,1139 42.716,1140 114.937,1141 265.999,1142 335.908,1143 359.908,1144 361.908,1145 361.908,1146 101.672,1147 8.242,1148 125.79,1149 151.09,1150 22,1151 12.9,1152 4.322,1153 3.585,1154 65.056,1155 195,1156 162,1157 0.161,1158 266.407,1159 467.28,1160 641.794,1161 49766,1163 26.742,1164 0.723,1165 0.596,1166 27.095,1167 22.041,1168 17.59,1169 0.44,1170 0.328,1171 11.823,1172 16.322,1173 11.281,1174 9.4,1175 18.148,1176 13.128,1177 16.789,1178 0.289,1179 0.184,1180 17.255,1181 10.692,1182 13.129,1183 0.177,1184 0.091,1185 13.626,1186 6.771,1187 10.96,1188 0.112,1189 0.05,1190 11.437,1191 4.905,1192 8.569,1193 0.071,1194 0.028,1195 9.072,1196 3.366,1197 0.259,1198 116.803,1199 0.197,1200 34.007,1201 0.426,1202 196,1203 615.553,1204 240.053,1205 605.964,1206 808.15,1207 562,1208 230,1209 572.802,1210 268.595,1211 587.557,1212 854.6,1213 546,1214 5} {0 CHEMBL403186,1 1.603,2 14.222,3 2.08,4 4.328,5 132.242,6 7.367,7 0.41,8 4.301,9 4.421,10 3.844,11 3.778,12 5.444,13 3.771,14 4.853,15 5.03,16 4.249,17 4.187,18 5.977,19 4.163,20 5.136,21 5.323,22 4.289,23 4.349,24 6.258,25 4.296,26 5.289,27 5.53,28 4.293,29 4.335,30 6.396,31 4.274,32 5.165,33 5.369,34 4.237,35 4.288,36 6.376,37 4.244,38 5.138,39 5.333,40 4.221,41 4.358,42 6.381,43 4.264,44 5.25,45 5.516,46 4.141,47 4.297,48 6.418,49 4.174,50 5.034,51 5.285,52 4.024,53 4.088,54 6.144,55 4.018,56 0.14,57 0.991,58 14.121,59 5.882,60 18.115,61 7.877,62 0.553,63 1.579,64 27.16,65 9.664,66 50.272,67 13.629,68 0.68,69 1.935,70 37.415,71 12.404,72 92.472,73 17.23,74 0.963,75 2.025,76 47.471,77 13.68,78 126.911,79 19.881,80 1.13,81 1.816,82 41.277,83 11.908,84 137.088,85 16.308,86 0.819,87 1.864,88 37.712,89 14.176,90 133.419,91 19.568,92 1.111,93 1.89,94 46.304,95 15.018,96 172.29,97 22.325,98 0.534,99 1.563,100 36.437,101 10.985,102 75.786,103 16.223,104 74,105 57,106 0.253,107 0.609,108 0.773,109 0.83,110 0.834,111 0.834,112 3.615,113 0.907,114 -3.11,115 -3.1,116 -2.98,117 38.8,118 4,120 1,122 3,123 1,124 1,128 8,129 2,132 1,135 1,136 2,137 1,138 1,145 1,147 9,149 4,150 11,152 2,153 3,154 11,158 8,159 2,161 3,163 4,165 1,166 16,167 2,168 1,169 2,171 5,173 1,174 5,176 3,177 1,178 1,180 10,181 3,182 5,184 3,186 1,189 14,191 3,192 7,193 4,195 6,197 9,200 10,205 7,207 4,209 1,210 11,213 1,215 8,216 4,219 2498,220 23.488,221 23.488,222 23.488,223 23.488,224 23.488,225 21.203,226 28.375,227 13.442,228 23.947,229 19.175,230 19.175,231 19.175,232 19.175,233 19.175,234 15.568,235 37.85,236 6.317,237 19.838,238 4.463,239 2.208,240 1.165,241 0.807,242 0.777,243 0.777,244 4.301,247 1,248 1089,249 4.848,250 212.211,251 242.772,253 177.976,255 2.21,256 47.511,258 1,259 0.67,260 1,261 1,262 0.5,263 1,264 1,265 0.88,266 79.5,267 512,268 4.62,269 3.96,270 6.726,271 4.136,272 3.188,273 4.569,274 2.208,275 10.951,276 3.049,277 4.267,278 3.839,279 6.574,280 4.126,281 3.183,282 3.771,283 2.071,284 10.474,285 3.004,286 4.185,287 3.573,288 6.447,289 4.029,290 3.063,291 3.352,292 1.058,293 10.103,294 2.921,295 4.077,296 3.288,297 6.03,298 3.798,299 2.794,300 3.184,301 0.655,302 8.606,303 2.8,304 3.751,305 3.273,306 5.834,307 3.448,308 2.483,309 3.108,310 0.589,311 7.901,312 2.385,313 3.691,314 3.177,315 5.544,316 3.395,317 2.401,318 2.902,319 0.522,320 7.242,321 2.371,322 3.515,323 2.702,324 5.228,325 3.071,326 2.105,327 2.804,328 0.13,329 6.26,330 2.026,331 3.195,332 2.647,333 5.032,334 2.931,335 1.944,336 2.443,338 5.646,339 1.904,340 3.135,341 2.251,342 4.746,343 2.636,344 1.684,345 2.245,347 4.926,348 1.6,349 2.83,350 1.977,351 4.2,352 2.369,353 1.373,354 1.984,356 3.699,357 1.355,358 2.791,359 1.893,360 3.972,361 2.344,362 1.354,363 1.794,365 2.939,366 1.339,367 2.5,368 1.704,369 3.778,370 2.038,371 1.06,372 1.5,374 2.915,375 1.021,376 2.313,377 1.389,378 3.617,379 2,380 1,381 1.22,383 2.397,384 1,385 2.193,386 1.384,387 3.538,388 1.895,389 0.921,390 1.076,392 2.275,393 0.89,394 1.998,395 1,396 3.414,397 1.769,398 0.798,399 0.95,401 2.075,402 0.772,403 16.667,404 0.463,405 1.206,406 0.034,407 42.25,408 1.174,409 18.5,410 0.514,411 23.75,412 0.66,413 36.624,414 1.017,415 40.333,416 0.602,417 37.591,418 1.044,419 8.454,420 0.235,421 8.598,422 0.239,423 0.2,424 0.03,425 0.348,428 0.732,429 1.425,430 0.799,431 1.167,432 0.628,433 1.019,434 0.619,435 1.111,436 0.761,437 0.969,438 0.496,439 0.897,440 1.127,441 1.242,442 1.148,443 1.179,444 0.838,445 1.165,446 1.177,447 0.948,448 0.971,449 0.896,450 1.234,451 0.889,452 1.533,453 0.777,454 1.196,455 0.785,456 1.764,457 0.9,458 0.663,459 1.18,460 1.042,461 1.271,462 0.749,463 1.25,464 0.492,465 0.908,466 0.78,467 0.943,468 0.542,469 0.927,470 0.984,471 1.02,472 0.87,473 0.977,474 0.939,475 0.901,476 9.5,477 0.231,478 4.667,479 3.208,480 2.339,481 1.57,482 1,483 0.716,484 0.519,485 0.321,486 20331,487 56169,488 2.001,489 46.3,491 15,494 3,495 4,496 9,498 1.772,499 1.823,500 3.734,501 0.828,506 107.417,507 1.603,508 3.858,509 4.901,510 5.26,511 5.289,512 5.289,513 3.183,514 4.816,515 5.143,516 3.987,517 2511.84,518 9.027,519 41497.7,523 406.428,524 1.68,525 5.067,526 0.244,527 0.008,528 0.082,529 0.057,530 0.043,531 0.03,532 0.02,533 0.016,534 0.012,535 0.008,536 0.519,537 0.33,538 0.88,539 1.233,540 198.854,541 -0.006,542 -0.154,543 0.042,544 -0.034,545 -0.049,546 0.003,547 0.196,548 0.055,549 0.148,550 0.077,551 0.112,552 0.097,553 -0.124,554 -0.148,555 -0.201,556 -0.164,557 -0.044,558 -0.192,559 -0.079,560 0.021,561 0.046,562 0.045,563 -0.093,564 0.067,565 -0.201,566 0.242,567 -0.173,568 0.165,569 -0.245,570 0.027,571 0.195,572 -0.152,573 -0.114,574 -0.202,575 0.174,576 -0.222,577 0.327,578 -0.007,579 0.209,580 0.047,581 0.302,582 0.096,583 -0.049,584 -0.063,585 0.127,586 -0.015,587 0.022,588 0.085,589 2.343,590 5.964,591 0.556,592 44.389,593 1.009,594 1.133,595 1.876,596 3.52,597 0.645,598 3.689,599 4.06,600 4.29,601 4.564,602 4.754,603 4.836,604 4.942,605 5.056,606 5.056,607 5.1,608 8.516,609 0.62,610 493.62,611 3.689,612 5.263,613 6.111,614 7.011,615 7.88,616 8.781,617 9.659,618 10.56,619 11.443,620 12.343,621 7.5,624 3,625 1,626 1,628 2,629 8,630 1,632 3,633 1,634 16,635 1,641 67,642 19,643 2,644 39,645 70,646 26,647 13,648 4,649 8,650 1,651 4,652 5,653 4,654 1,655 1,657 1,659 16,660 10,661 2,662 3,665 3,666 3,670 31,671 9,672 3,673 10,676 1,677 5,678 0.75,679 5,684 1,685 2,686 2,688 1,696 1,699 1,700 1,702 3,705 4,708 36,712 1,713 3,714 2,715 1,717 2,718 1,719 1,724 7.5,725 1,727 3,729 1,731 19.75,732 13.05,733 7.736,734 3.85,735 3.249,736 1.398,737 0.932,738 7.572,739 11.417,740 3.932,741 4.519,742 5.033,743 5.585,744 6.053,745 6.314,746 6.683,747 7.073,748 7.249,749 7.589,750 1,751 56,752 13.432,753 5.862,754 7.951,755 25.091,756 20.725,757 2.451,758 88.25,760 329.591,761 146.587,762 54.292,763 129.24,766 146.587,767 458.831,768 54.292,769 35.301,770 41.925,771 118.616,772 103.958,773 21.414,774 8.907,775 329.591,777 329.591,778 200.879,779 129.24,782 223.651,783 192.375,784 42.806,785 83.597,786 100.497,787 16.786,789 329.591,790 183.533,791 146.587,794 329.591,795 35.476,796 116.134,797 32.483,798 146.026,799 329.591,800 183.533,801 146.587,803 0.595,804 0.334,805 0.178,806 0.097,807 27,808 14,809 0.1,810 7,811 1,812 1.1,813 4.54,814 339.389,815 0.1,816 20,817 177.362,820 25.986,821 10.49,822 6.018,823 1.977,824 181.634,825 15.137,826 4.59,828 2.333,829 2.117,830 75.289,831 659.711,832 50,835 37.661,836 -1.635,837 67.632,838 75.936,839 0.264,840 0.636,841 0.808,842 0.867,843 0.872,844 0.872,845 5.209,846 1.944,847 6.151,848 6.26,849 4.745,850 5.207,851 3.056,852 7.004,853 4.677,854 6.436,855 1.684,856 7.745,857 5.646,858 4.575,859 5.156,860 2.328,861 8.095,862 4.47,863 7.763,864 1.373,865 9.44,866 4.926,867 6.428,868 7.38,869 4.138,870 11.107,871 6.28,872 9.12,873 1.354,874 11.189,875 3.699,876 7.013,877 8.107,878 4.186,879 12.95,880 6.819,881 10.506,882 1.06,883 12.972,884 2.939,885 8.407,886 9.888,887 5.482,888 15.529,889 8.171,890 11.91,891 1,892 14.777,893 2.915,894 9.306,895 10.996,896 5.866,897 17.67,898 9.019,899 13.331,900 0.921,901 16.598,902 2.397,903 10.536,904 12.607,905 6.925,906 20.104,907 10.206,908 3.188,909 0.798,910 18.43,911 2.275,912 11.571,913 13.915,914 7.477,915 22.371,916 11.187,917 3.183,918 10.951,919 20.272,920 2.075,921 12.741,922 15.459,923 8.414,924 24.756,925 12.311,926 3.063,927 10.474,928 22.12,929 4.569,930 13.835,931 16.87,932 9.058,933 27.077,934 13.352,935 2.794,936 10.103,937 23.975,938 3.771,939 14.985,940 18.39,941 9.927,942 29.446,943 14.454,944 2.483,945 8.606,946 25.834,947 3.352,948 16.106,949 19.854,950 10.625,951 31.791,952 15.521,953 2.401,954 7.901,955 27.697,956 3.184,957 17.25,958 21.366,959 11.456,960 34.157,961 16.616,962 2.105,963 7.242,964 29.564,965 3.108,966 18.384,967 22.856,968 12.186,969 36.514,970 17.696,971 19595,972 32723,973 24.967,974 43.199,975 60.162,976 64.749,977 61.676,978 59.168,979 59.084,980 74.25,981 14.466,982 177.425,983 57.263,984 5.578,985 5.96,986 6.407,987 5.209,988 5.188,989 7.569,990 3.912,991 17.864,992 5.049,993 23.345,994 1.543,995 1.66,996 1.581,997 1.517,998 1.515,999 1.904,1000 0.371,1001 4.549,1002 1.468,1003 4.136,1004 4.178,1005 4.1,1006 4.016,1007 7.436,1008 4.031,1009 3.961,1010 4.001,1011 3.9,1012 3.858,1013 7.429,1014 3.86,1015 3.871,1016 3.903,1017 3.805,1018 3.733,1019 7.427,1020 3.746,1021 3.71,1022 3.758,1023 3.59,1024 3.547,1025 6.493,1026 3.544,1027 3.498,1028 3.553,1029 3.407,1030 3.353,1031 5.025,1032 3.358,1033 3.39,1034 3.429,1035 3.321,1036 3.133,1037 4.691,1038 3.159,1039 3.34,1040 3.383,1041 3.266,1042 3.042,1043 4.566,1044 3.106,1045 3.102,1046 3.166,1047 2.994,1048 2.858,1049 4.35,1050 2.877,1051 0.118,1052 0.102,1053 0.172,1054 0.106,1055 0.082,1056 4.62,1057 0.117,1058 3.96,1059 0.057,1060 6.726,1061 0.281,1062 4.136,1063 0.078,1064 3.188,1065 4.569,1066 2.208,1067 10.951,1068 3.049,1069 1.963,1070 1.935,1071 2.063,1072 2.066,1073 1.24,1074 2.067,1075 1.886,1076 1.861,1077 1.988,1078 1.976,1079 1.212,1080 1.98,1081 1.701,1082 1.654,1083 1.947,1084 1.916,1085 1.12,1086 1.919,1087 1.673,1088 1.63,1089 1.838,1090 1.868,1091 1.079,1092 1.858,1093 1.561,1094 1.5,1095 1.751,1096 1.777,1097 0.969,1098 1.767,1099 1.476,1100 1.409,1101 1.685,1102 1.73,1103 0.85,1104 1.724,1105 1.222,1106 1.179,1107 1.464,1108 1.508,1109 0.623,1110 1.463,1111 1.036,1112 0.981,1113 1.417,1114 1.374,1115 0.469,1116 1.37,1117 4.369,1118 5.727,1119 3.045,1120 7.252,1121 5.476,1122 8.851,1123 7.627,1124 10.49,1125 7.206,1129 9.144,1130 0.716,1131 4.458,1132 5.386,1134 -1.5,1135 1.358,1136 -0.698,1139 41.529,1140 107.417,1141 258.48,1142 328.389,1143 352.389,1144 354.389,1145 354.389,1146 97.563,1147 8.168,1148 125.79,1149 125.79,1150 22,1151 12.868,1152 4.322,1153 3.585,1154 62.364,1155 186,1156 165,1157 0.161,1158 255.276,1159 448.77,1160 614.635,1161 45504,1163 26.035,1164 0.723,1165 0.578,1166 26.035,1167 20.817,1168 17.052,1169 0.437,1170 0.302,1171 11.603,1172 16.251,1173 11.188,1174 9.316,1175 17.052,1176 11.79,1177 16.598,1178 0.291,1179 0.175,1180 16.598,1181 9.979,1182 12.799,1183 0.178,1184 0.085,1185 12.799,1186 6.137,1187 10.692,1188 0.113,1189 0.046,1190 10.692,1191 4.366,1192 8.3,1193 0.072,1194 0.025,1195 8.3,1196 2.911,1197 0.26,1198 107.999,1199 0.2,1200 33.303,1201 0.427,1202 192,1203 596.693,1204 215.999,1205 567.861,1206 759.95,1207 526,1208 225,1209 555.087,1210 248.23,1211 557.188,1212 809.04,1213 520,1214 5.796} {0 CHEMBL431680,1 1.741,2 15.48,3 2.29,4 5.245,5 176.024,6 7.579,7 0.226,8 4.622,9 4.746,10 4.164,11 4.067,12 5.769,13 4.069,14 5.21,15 5.386,16 4.555,17 4.479,18 6.596,19 4.446,20 5.534,21 5.757,22 4.646,23 4.692,24 6.651,25 4.631,26 5.666,27 5.879,28 4.737,29 4.75,30 6.861,31 4.709,32 5.753,33 5.973,34 4.835,35 4.793,36 7.08,37 4.757,38 5.799,39 6.025,40 4.822,41 4.832,42 7.031,43 4.785,44 5.824,45 6.045,46 4.839,47 4.872,48 7.007,49 4.822,50 5.816,51 6.041,52 4.82,53 4.858,54 7.063,55 4.786,56 0.321,57 1.533,58 19.008,59 8.429,60 49.192,61 10.862,62 1.477,63 2.72,64 39.481,65 14.209,66 204.771,67 19.277,68 1.411,69 2.882,70 57.968,71 19.654,72 200.473,73 27.416,74 1.751,75 3.263,76 67.557,77 20.936,78 269.528,79 28.493,80 2.375,81 3.466,82 75.58,83 22.089,84 363.686,85 30.484,86 2.46,87 3.483,88 79.77,89 23.183,90 348.773,91 31.953,92 2.465,93 3.386,94 81.232,95 23.463,96 354.669,97 32.969,98 2.306,99 3.215,100 79.265,101 24.111,102 351.248,103 35.029,104 87,105 72,106 0.258,107 0.557,108 0.76,109 0.873,110 0.885,111 0.889,112 3.935,113 0.942,114 -2.69,115 -2.7,116 -2.63,117 36.6,119 6,120 2,122 7,123 1,125 1,128 8,129 4,136 4,137 1,145 1,147 20,149 2,150 3,152 5,153 4,154 23,158 6,159 5,160 1,161 8,163 21,166 10,169 10,171 18,173 4,174 11,176 4,177 1,178 9,180 18,181 1,182 13,184 4,185 3,186 8,189 18,191 1,192 10,193 3,194 1,195 9,197 18,199 4,200 13,203 7,204 2,205 10,207 12,209 3,210 13,213 4,214 3,215 10,216 11,219 6822,220 33.205,221 33.205,222 33.205,223 33.205,224 33.205,225 31.156,226 37.306,227 19.871,228 33.919,229 26.07,230 26.07,231 26.07,232 26.07,233 26.07,234 22.63,235 36.314,236 9.343,237 27.103,238 4.798,239 2.783,240 1.414,241 0.656,242 0.575,243 0.546,244 4.622,248 1622,249 4.899,251 474.401,255 2.298,256 107.329,258 0.25,259 0.5,260 0.5,261 0.7,262 1,263 0.33,264 0.5,265 0.54,266 114.5,267 774,268 4.591,269 4.47,270 7.283,271 4.297,272 3.4,273 4.145,274 3.825,275 12.423,276 3.131,277 4.227,278 3.971,279 6.64,280 4.098,281 3.094,282 3.566,283 2.186,284 10.589,285 3.096,286 4.047,287 3.798,288 6.152,289 3.799,290 2.823,291 3.338,292 2.071,293 8.945,294 2.759,295 3.987,296 3.715,297 6.06,298 3.709,299 2.759,300 3.154,301 2.005,302 8.69,303 2.635,304 3.891,305 3.637,306 6,307 3.699,308 2.728,309 3.043,310 1.952,311 8.492,312 2.592,313 3.71,314 3.613,315 5.568,316 3.409,317 2.421,318 2.964,319 1.889,320 7.207,321 2.363,322 3.658,323 3.164,324 5.282,325 3.318,326 2.377,327 2.828,328 0.604,329 6.493,330 2.208,331 3.569,332 2.929,333 5.035,334 3.229,335 2.223,336 2.754,337 0.589,338 6.092,339 2.197,340 3.24,341 2.666,342 4.805,343 2.834,344 1.864,345 2.52,346 0.4,347 5.092,348 1.796,349 2.966,350 2.442,351 4.457,352 2.795,353 1.816,354 1.964,355 0.366,356 4.475,357 1.755,358 2.852,359 2.249,360 4.294,361 2.7,362 1.717,363 1.84,364 0.311,365 3.939,366 1.681,367 2.744,368 2.15,369 4.074,370 2.595,371 1.594,372 1.739,373 0.101,374 3.603,375 1.587,376 2.663,377 1.977,378 3.932,379 2.432,380 1.47,381 1.705,383 3.37,384 1.405,385 2.577,386 1.897,387 3.812,388 2.203,389 1.222,390 1.606,392 2.903,393 1.192,394 2.54,395 1.751,396 3.598,397 2.142,398 1.176,399 1.528,401 2.804,402 1.124,403 22.59,404 0.452,405 1.285,406 0.026,407 51.75,408 1.035,409 19.5,410 0.39,411 32.25,412 0.645,413 62.109,414 1.242,415 59.01,416 0.635,417 59.241,418 1.185,419 10.524,420 0.21,421 13.449,422 0.269,423 0.126,424 0.022,425 0.283,426 3,428 0.655,429 1.212,430 0.767,431 1.204,432 0.572,433 1.052,434 0.507,435 0.937,436 0.868,437 1.124,438 0.435,439 1.112,440 0.677,441 0.856,442 0.854,443 1.022,444 0.655,445 1.001,446 1.069,447 1.042,448 1.026,449 1.073,450 1.074,451 1.045,452 1.009,453 0.984,454 0.977,455 0.983,456 1.001,457 0.973,458 1.057,459 0.898,460 1.037,461 0.963,462 1.055,463 0.985,464 1.031,465 0.819,466 1.033,467 0.949,468 1.05,469 0.984,470 0.701,471 0.814,472 0.928,473 1.097,474 0.737,475 1.098,476 10,477 0.601,478 6.222,479 3.688,480 2.893,481 2.125,482 1.342,483 1.245,484 0.837,485 0.632,486 43868,487 145113,488 1.989,489 46.2,490 6,491 23,494 6,495 2,496 6,498 1.859,499 1.846,500 3.839,501 2.796,506 161.923,507 1.741,508 3.756,509 5.126,510 5.883,511 5.964,512 5.993,513 3.31,514 5.334,515 5.614,516 4.104,517 5027.21,518 10.034,519 102211,523 608.142,524 1.544,525 5.56,526 0.189,527 0.007,528 0.086,529 0.046,530 0.034,531 0.023,532 0.015,533 0.013,534 0.009,535 0.007,536 0.43,537 0.17,538 0.63,539 0.857,540 299.449,541 -0.042,542 -0.068,543 0.014,544 0.004,545 -0.035,546 0.025,547 0.266,548 0.176,549 0.007,550 -0.021,551 0.244,552 -0.08,553 0.019,554 0.008,555 0.049,556 0.015,557 0.017,558 0.036,559 -0.154,560 -0.117,561 -0.074,562 -0.058,563 -0.118,564 -0.043,565 -0.034,566 -0.051,567 0.001,569 0.004,570 0.01,571 -0.09,572 0.017,573 -0.058,574 0.014,575 -0.085,576 -0.004,577 -0.113,578 0.004,579 -0.07,580 0.026,581 -0.115,582 0.001,583 0.071,584 -0.075,585 0.004,586 -0.115,587 0.063,588 -0.09,589 5.825,590 7.025,591 0.66,592 70.715,593 1.023,594 1.148,595 1.457,596 2.124,597 0.626,598 3.989,599 4.29,600 4.5,601 4.691,602 4.883,603 4.89,604 5.011,605 5.153,606 5.263,607 5.342,608 9.445,609 0.611,610 704.83,611 3.989,612 5.525,613 6.351,614 7.213,615 8.059,616 8.925,617 9.779,618 10.648,619 11.508,620 12.379,621 6.5,622 1,624 5,629 8,632 4,634 12,641 93,642 17,643 2,644 53,645 96,646 34,647 12,648 4,649 8,651 4,652 4,653 1,654 6,655 2,656 1,657 7,659 17,660 17,661 2,662 5,665 5,666 5,669 3,670 43,671 16,672 6,673 16,677 6,678 1,679 7,686 3,693 2,694 1,696 1,697 1,699 1,700 1,702 4,706 3,708 50,712 1,713 13,714 5,715 1,717 3,718 1,719 1,723 3,724 7.5,725 1,727 5,729 1,731 27.083,732 15.745,733 11.194,734 5.678,735 2.294,736 1.267,737 0.929,738 14.911,739 10.885,740 4.174,741 4.625,742 5.024,743 5.428,744 5.898,745 6.029,746 6.388,747 6.72,748 7.029,749 7.24,750 1,751 80,752 19.475,753 9.08,754 8.275,755 34.498,756 28.291,757 2.775,758 138.75,760 435.531,761 154.327,762 89.64,763 179.53,764 44.88,766 154.327,767 615.061,768 134.52,770 104.063,771 136.626,772 144.543,773 68.623,774 6.763,775 435.531,776 7.76,777 435.531,778 243.967,779 224.411,782 364.904,783 252.231,784 42.806,785 129.833,786 114.133,789 480.411,790 269.17,791 154.327,794 443.29,795 70.757,796 78.934,797 86.516,798 224.411,799 435.531,800 314.051,801 154.327,803 0.576,804 0.33,805 0.17,806 0.093,807 28,808 15,809 0.073,810 7,812 1,813 5.372,814 532.394,816 33,817 269.438,820 39.103,821 19.066,822 11.685,824 314.051,825 11.237,828 -0.029,830 129.321,831 903.908,832 64,835 65.226,836 -3.097,837 95.112,838 106.779,839 0.266,840 0.574,841 0.784,842 0.9,843 0.912,844 0.917,845 5.429,846 2.223,847 6.344,848 6.493,849 4.977,850 5.313,851 4.058,852 7.148,853 4.909,854 6.592,855 1.864,856 7.908,857 6.092,858 4.635,859 5.094,860 4.257,861 8.214,862 4.486,863 7.881,864 1.816,865 9.586,866 5.092,867 6.592,868 7.293,869 5.833,870 11.258,871 6.445,872 9.201,873 1.717,874 11.335,875 4.475,876 7.083,877 7.871,878 6.836,879 13.178,880 6.852,881 10.557,882 1.594,883 13.131,884 3.939,885 8.528,886 9.6,887 8.184,888 15.808,889 8.285,890 11.936,891 1.47,892 14.96,893 3.603,894 9.39,895 10.541,896 9.439,897 18.063,898 9.068,899 13.333,900 1.222,901 16.814,902 3.37,903 10.65,904 12.092,905 10.77,906 20.581,907 10.298,908 3.4,909 1.176,910 18.688,911 2.903,912 11.684,913 13.226,914 12.09,915 22.974,916 11.259,917 3.094,918 12.423,919 20.576,920 2.804,921 12.88,922 14.701,923 13.427,924 25.468,925 12.41,926 2.823,927 10.589,928 22.478,929 4.145,930 13.995,931 15.947,932 14.763,933 27.922,934 13.454,935 2.759,936 8.945,937 24.39,938 3.566,939 15.176,940 17.387,941 16.103,942 30.416,943 14.579,944 2.728,945 8.69,946 26.311,947 3.338,948 16.33,949 18.701,950 17.443,951 32.898,952 15.663,953 2.421,954 8.492,955 28.24,956 3.154,957 17.513,958 20.125,959 18.784,960 35.397,961 16.782,962 2.377,963 7.207,964 30.175,965 3.043,966 18.689,967 21.481,968 20.125,969 37.894,970 17.885,971 42586,972 77788,973 34.383,974 58.256,975 78.733,976 83.095,977 80.303,978 77.863,979 77.531,980 91.382,981 32.601,982 217.869,983 74.893,984 5.591,985 6.47,986 7.085,987 5.364,988 5.4,989 7.145,990 5.528,991 20.149,992 5.131,993 30.116,994 1.486,995 1.568,996 1.515,997 1.469,998 1.463,999 1.724,1000 0.615,1001 4.111,1002 1.413,1003 4.052,1004 4.079,1005 4.001,1006 3.992,1007 8.513,1008 3.989,1009 3.907,1010 3.949,1011 3.836,1012 3.786,1013 7.999,1014 3.788,1015 3.844,1016 3.9,1017 3.757,1018 3.687,1019 7.999,1020 3.692,1021 3.78,1022 3.832,1023 3.69,1024 3.621,1025 7.441,1026 3.63,1027 3.733,1028 3.774,1029 3.633,1030 3.591,1031 7.432,1032 3.591,1033 3.66,1034 3.709,1035 3.576,1036 3.421,1037 7.429,1038 3.445,1039 3.517,1040 3.573,1041 3.393,1042 3.301,1043 7.425,1044 3.312,1045 3.401,1046 3.453,1047 3.326,1048 3.17,1049 7.422,1050 3.178,1051 0.087,1052 0.084,1053 0.137,1054 0.081,1055 0.064,1056 4.591,1057 0.078,1058 4.47,1059 0.072,1060 7.283,1061 0.234,1062 4.297,1063 0.059,1064 3.4,1065 4.145,1066 3.825,1067 12.423,1068 3.131,1069 2.011,1070 1.991,1071 2.107,1072 2.083,1073 1.408,1074 2.09,1075 1.858,1076 1.826,1077 2.009,1078 2.02,1079 1.338,1080 2.012,1081 1.782,1082 1.727,1083 1.987,1084 1.993,1085 1.252,1086 1.993,1087 1.751,1088 1.695,1089 1.969,1090 1.952,1091 1.228,1092 1.961,1093 1.731,1094 1.682,1095 1.897,1096 1.862,1097 1.097,1098 1.871,1099 1.536,1100 1.475,1101 1.747,1102 1.798,1103 0.985,1104 1.783,1105 1.474,1106 1.429,1107 1.688,1108 1.703,1109 0.906,1110 1.695,1111 1.37,1112 1.31,1113 1.607,1114 1.653,1115 0.825,1116 1.638,1117 4.673,1118 5.979,1120 7.465,1122 9.033,1124 10.648,1126 41.028,1129 9.609,1130 3.238,1131 12.72,1132 5.184,1134 -3.412,1135 1.623,1136 -4.575,1139 56.818,1140 161.923,1141 349.312,1142 476.684,1143 547.122,1144 554.632,1145 557.387,1146 236.154,1147 8.591,1148 178.2,1149 178.2,1150 33,1151 12.924,1152 4.17,1153 3.585,1154 103.726,1155 271,1156 320,1157 0.172,1158 347.469,1159 642.22,1160 839.585,1161 85941,1162 3.2,1163 36.097,1164 0.722,1165 0.55,1166 33.597,1167 27.521,1168 23.973,1169 0.452,1170 0.314,1171 16.323,1172 22.671,1173 16.162,1174 13.253,1175 22.761,1176 16.643,1177 21.581,1178 0.3,1179 0.17,1180 19.586,1181 12.244,1182 16.957,1183 0.191,1184 0.099,1185 16.203,1186 8.821,1187 13.169,1188 0.122,1189 0.057,1190 12.415,1191 6.115,1192 10.695,1193 0.082,1194 0.032,1195 9.958,1196 4.193,1197 0.271,1198 153.537,1199 0.171,1200 42.644,1201 0.473,1202 250,1203 1012.21,1204 294.088,1205 871.728,1206 1111.34,1207 804,1208 286,1209 746.711,1210 321.697,1211 724.178,1212 1069.81,1213 680,1214 5.699} {0 CHEMBL447787,1 1.569,2 14.368,3 3.21,4 10.303,5 141.444,6 7.146,7 0.39,8 4.376,9 4.5,10 3.893,11 3.856,12 5.493,13 3.839,14 4.938,15 5.121,16 4.298,17 4.27,18 6.024,19 4.235,20 5.231,21 5.426,22 4.36,23 4.435,24 6.322,25 4.372,26 5.392,27 5.644,28 4.381,29 4.433,30 6.466,31 4.373,32 5.261,33 5.456,34 4.337,35 4.435,36 6.438,37 4.377,38 5.292,39 5.496,40 4.348,41 4.528,42 6.479,43 4.423,44 5.414,45 5.678,46 4.237,47 4.486,48 6.532,49 4.339,50 5.228,51 5.503,52 4.082,53 4.246,54 6.254,55 4.138,56 0.12,57 1.068,58 15.978,59 6.549,60 18.273,61 8.95,62 0.538,63 1.708,64 30.438,65 10.823,66 52.683,67 15.493,68 0.609,69 2.122,70 42.041,71 13.889,72 92.358,73 19.879,74 1.032,75 2.257,76 53.184,77 14.398,78 131.574,79 21.729,80 1.057,81 2.057,82 44.971,83 13.845,84 129.852,85 19.142,86 0.811,87 2.187,88 44.665,89 17.024,90 137.922,91 23.8,92 1.078,93 2.256,94 53.541,95 18.264,96 176.473,97 27.049,98 0.549,99 1.842,100 44.893,101 13.77,102 86.775,103 20.819,104 96,105 60,106 0.243,107 0.577,108 0.732,109 0.819,110 0.823,111 0.823,112 3.668,113 0.932,114 -3.51,115 -3.48,116 -3.32,117 38.4,118 5,120 2,122 3,123 1,124 1,128 8,129 2,132 1,135 1,136 2,137 1,138 1,145 1,147 11,149 4,150 11,152 2,153 3,154 12,158 12,159 2,161 3,163 4,165 1,166 16,167 2,168 1,169 2,171 5,173 1,174 5,176 3,177 1,178 1,180 16,181 3,182 5,184 3,186 1,189 22,191 3,192 7,193 4,195 6,197 13,200 10,205 7,207 6,209 1,210 11,213 1,215 8,216 4,219 2802,220 24.695,221 24.695,222 24.695,223 24.695,224 24.695,225 22.487,226 30.8,227 14.128,228 25.129,229 20.159,230 20.159,231 20.159,232 20.159,233 20.159,234 16.577,235 39.321,236 6.628,237 20.804,238 4.621,239 2.471,240 1.471,241 0.915,242 0.888,243 0.888,244 4.353,247 1,248 1155,249 5.148,250 223.069,251 254.834,253 188.176,255 2.224,256 49.056,258 0.75,259 0.67,260 0.83,261 0.9,262 1,263 0.83,264 1,265 0.85,266 83.5,267 546,268 4.651,269 3.96,270 6.836,271 4.184,272 3.24,273 4.584,274 2.208,275 11.357,276 3.061,277 4.267,278 3.839,279 6.574,280 4.135,281 3.187,282 3.771,283 2.071,284 10.474,285 3.047,286 4.185,287 3.573,288 6.447,289 4.029,290 3.064,291 3.352,292 1.058,293 10.103,294 2.921,295 4.077,296 3.375,297 6.03,298 3.799,299 2.795,300 3.193,301 0.655,302 8.607,303 2.802,304 3.778,305 3.273,306 5.839,307 3.449,308 2.483,309 3.149,310 0.589,311 7.902,312 2.403,313 3.693,314 3.177,315 5.834,316 3.424,317 2.439,318 3,319 0.522,320 7.761,321 2.372,322 3.669,323 2.719,324 5.391,325 3.37,326 2.375,327 2.804,328 0.13,329 7.011,330 2.357,331 3.233,332 2.65,333 5.048,334 2.948,335 1.965,336 2.497,338 5.696,339 1.919,340 3.162,341 2.588,342 4.954,343 2.751,344 1.79,345 2.245,347 5.369,348 1.715,349 2.932,350 2.043,351 4.206,352 2.474,353 1.491,354 2.112,356 3.711,357 1.464,358 2.793,359 1.901,360 4.107,361 2.368,362 1.372,363 1.799,365 3.417,366 1.355,367 2.5,368 1.759,369 3.965,370 2.104,371 1.131,372 1.5,374 2.915,375 1.097,376 2.449,377 1.498,378 3.774,379 2.02,380 1.039,381 1.433,383 2.701,384 1.005,385 2.309,386 1.384,387 3.593,388 2,389 1,390 1.21,392 2.39,393 1,394 2.077,395 1.152,396 3.414,397 1.893,398 0.917,399 0.955,401 2.275,402 0.889,403 17.667,404 0.465,405 1.295,406 0.034,407 43.25,408 1.138,409 18.5,410 0.487,411 24.75,412 0.651,413 41.541,414 1.093,415 42.933,416 0.588,417 39.297,418 1.034,419 8.359,420 0.22,421 9.603,422 0.253,423 0.217,424 0.028,425 0.357,428 0.727,429 1.431,430 0.829,431 1.19,432 0.633,433 1.049,434 0.608,435 1.11,436 0.772,437 0.98,438 0.492,439 0.911,440 1.071,441 1.332,442 1.101,443 1.217,444 0.808,445 1.172,446 1.251,447 0.834,448 0.966,449 0.762,450 1.226,451 0.788,452 1.488,453 0.873,454 1.232,455 0.902,456 1.71,457 1.002,458 0.61,459 1.148,460 1.008,461 1.233,462 0.691,463 1.211,464 0.461,465 1.004,466 0.867,467 1.068,468 0.52,469 1.052,470 0.86,471 0.975,472 0.832,473 0.954,474 0.834,475 0.89,476 10,477 0.231,478 4.889,479 3.333,480 2.749,481 1.743,482 1.192,483 0.747,484 0.56,485 0.381,486 22989,487 60771,488 1.986,489 47.9,490 6,491 15,494 3,495 2,496 9,498 1.786,499 1.802,500 3.739,501 0.791,506 114.507,507 1.569,508 3.719,509 4.719,510 5.275,511 5.302,512 5.302,513 3.185,514 4.702,515 5.222,516 4.012,517 2820.64,518 9.188,519 48484.7,523 451.857,524 1.689,525 5.14,526 0.244,527 0.007,528 0.081,529 0.056,530 0.045,531 0.03,532 0.02,533 0.015,534 0.013,535 0.01,536 0.52,537 0.33,538 0.88,539 1.281,540 213.125,541 0.004,542 -0.145,543 0.043,544 -0.033,545 -0.048,546 0.002,547 0.205,548 0.06,549 0.154,550 0.081,551 0.116,552 0.102,553 -0.078,554 -0.238,555 -0.142,556 -0.191,557 -0.022,558 -0.183,559 -0.108,560 0.163,561 0.062,562 0.149,563 -0.092,564 0.145,565 -0.184,566 0.187,567 -0.221,568 0.085,569 -0.224,570 -0.052,571 0.193,572 -0.108,573 -0.08,574 -0.149,575 0.174,576 -0.167,577 0.296,578 -0.076,579 0.094,580 -0.058,581 0.261,582 -0.026,583 -0.001,584 -0.049,585 0.157,586 0.005,587 0.042,588 0.102,589 2.342,590 6.054,591 0.526,592 46.565,593 1.005,594 1.134,595 2.276,596 5.178,597 0.64,598 3.738,599 4.111,600 4.344,601 4.625,602 4.836,603 4.956,604 5.037,605 5.142,606 5.176,607 5.215,608 8.745,609 0.611,610 521.68,611 3.738,612 5.313,613 6.163,614 7.066,615 7.939,616 8.844,617 9.728,618 10.633,619 11.522,620 12.427,621 6.8,624 3,625 1,626 1,628 2,629 8,630 1,632 3,633 1,634 16,635 1,641 73,642 19,643 2,644 41,645 76,646 28,647 13,648 4,649 8,650 1,651 4,652 5,653 5,654 1,655 1,657 1,659 16,660 12,661 3,662 3,665 3,666 3,670 35,671 9,672 3,673 10,676 1,677 5,678 0.75,679 5,684 1,685 2,686 2,688 1,696 1,699 1,700 1,702 3,705 5,708 38,712 1,713 3,714 2,715 1,717 3,718 1,719 1,724 6.8,725 1,727 3,729 1,731 21.083,732 14.383,733 8.181,734 4.35,735 3.306,736 1.398,737 0.924,738 8.335,739 11.617,740 3.97,741 4.551,742 5.071,743 5.629,744 6.121,745 6.433,746 6.783,747 7.171,748 7.393,749 7.71,750 1,751 60,752 14.193,753 6.172,754 7.91,755 26.664,756 22.073,757 2.41,758 91.583,760 376.675,761 155.412,762 54.292,763 129.24,766 155.412,767 505.916,768 54.292,769 44.126,770 41.925,771 118.616,772 103.958,773 21.414,774 8.907,775 376.675,777 376.675,778 209.705,779 129.24,782 270.735,783 192.375,784 42.806,785 92.422,786 100.497,787 16.786,789 376.675,790 183.533,791 155.412,794 376.675,795 35.476,796 124.959,797 32.483,798 146.026,799 376.675,800 183.533,801 155.412,803 0.595,804 0.333,805 0.178,806 0.1,807 28,808 15,809 0.105,810 8,811 1,812 1.1,813 4.638,814 367.363,815 0.1,816 20,817 188.666,820 27.931,821 11.339,822 6.501,823 2.007,824 181.634,825 15.291,826 4.789,828 2.435,829 2.191,830 75.289,831 715.62,832 52,835 37.84,836 -1.633,837 73.4,838 82.767,839 0.253,840 0.601,841 0.762,842 0.852,843 0.857,844 0.857,845 5.252,846 1.965,847 6.205,848 7.011,849 4.796,850 5.239,851 3.056,852 7.064,853 4.732,854 6.477,855 1.79,856 7.803,857 5.696,858 4.635,859 5.19,860 2.328,861 8.165,862 4.536,863 7.803,864 1.491,865 9.502,866 5.369,867 6.482,868 7.406,869 4.138,870 11.187,871 6.339,872 9.16,873 1.372,874 11.256,875 3.711,876 7.074,877 8.139,878 4.186,879 13.043,880 6.887,881 10.546,882 1.131,883 13.044,884 3.417,885 8.465,886 9.914,887 5.482,888 15.635,889 8.235,890 11.952,891 1.039,892 14.854,893 2.915,894 9.37,895 11.027,896 5.866,897 17.794,898 9.088,899 13.375,900 1,901 16.68,902 2.701,903 10.601,904 12.636,905 6.925,906 20.247,907 10.274,908 3.24,909 0.917,910 18.518,911 2.39,912 11.641,913 13.948,914 7.477,915 22.536,916 11.26,917 3.187,918 11.357,919 20.365,920 2.275,921 12.815,922 15.492,923 8.414,924 24.944,925 12.386,926 3.064,927 10.474,928 22.219,929 4.584,930 13.916,931 16.908,932 9.058,933 27.291,934 13.431,935 2.795,936 10.103,937 24.08,938 3.771,939 15.071,940 18.429,941 9.927,942 29.687,943 14.536,944 2.483,945 8.607,946 25.946,947 3.352,948 16.199,949 19.897,950 10.625,951 32.062,952 15.609,953 2.439,954 7.902,955 27.817,956 3.193,957 17.351,958 21.412,959 11.456,960 34.458,961 16.708,962 2.375,963 7.761,964 29.691,965 3.149,966 18.493,967 22.906,968 12.186,969 36.847,970 17.795,971 22303,972 36455,973 26.065,974 46.722,975 63.429,976 67.96,977 65.115,978 62.349,979 62.267,980 77.42,981 14.466,982 187.32,983 60.453,984 5.609,985 5.96,986 6.517,987 5.258,988 5.24,989 7.584,990 3.912,991 18.565,992 5.061,993 25.768,994 1.547,995 1.658,996 1.588,997 1.521,998 1.519,999 1.888,1000 0.353,1001 4.569,1002 1.474,1003 4.145,1004 4.187,1005 4.109,1006 4.025,1007 7.436,1008 4.04,1009 3.961,1010 4.001,1011 3.901,1012 3.858,1013 7.429,1014 3.861,1015 3.872,1016 3.903,1017 3.805,1018 3.733,1019 7.427,1020 3.746,1021 3.71,1022 3.758,1023 3.59,1024 3.548,1025 6.493,1026 3.545,1027 3.617,1028 3.677,1029 3.487,1030 3.505,1031 5.02,1032 3.492,1033 3.413,1034 3.459,1035 3.339,1036 3.219,1037 4.691,1038 3.233,1039 3.38,1040 3.421,1041 3.302,1042 3.047,1043 4.566,1044 3.109,1045 3.241,1046 3.304,1047 3.118,1048 3.012,1049 4.363,1050 3.038,1051 0.113,1052 0.097,1053 0.167,1054 0.102,1055 0.079,1056 4.651,1057 0.112,1058 3.96,1059 0.054,1060 6.836,1061 0.277,1062 4.184,1063 0.075,1064 3.24,1065 4.584,1066 2.208,1067 11.357,1068 3.061,1069 1.964,1070 1.936,1071 2.065,1072 2.069,1073 1.253,1074 2.069,1075 1.886,1076 1.861,1077 1.988,1078 1.976,1079 1.221,1080 1.98,1081 1.715,1082 1.659,1083 1.947,1084 1.916,1085 1.121,1086 1.919,1087 1.701,1088 1.653,1089 1.932,1090 1.895,1091 1.12,1092 1.903,1093 1.664,1094 1.621,1095 1.835,1096 1.848,1097 1.079,1098 1.846,1099 1.481,1100 1.416,1101 1.686,1102 1.74,1103 0.969,1104 1.731,1105 1.333,1106 1.275,1107 1.539,1108 1.566,1109 0.724,1110 1.557,1111 1.095,1112 1.05,1113 1.417,1114 1.462,1115 0.469,1116 1.406,1117 4.419,1118 5.778,1119 3.045,1120 7.305,1121 5.476,1122 8.906,1123 7.644,1124 10.55,1125 9.479,1129 9.178,1130 0.715,1131 4.48,1132 5.401,1134 -1.254,1135 1.362,1136 -0.701,1139 44.583,1140 114.507,1141 271.454,1142 344.499,1143 385.063,1144 387.063,1145 387.063,1146 108.563,1147 8.311,1148 125.79,1149 125.79,1150 22,1151 12.948,1152 4.322,1153 3.585,1154 67.807,1155 204,1156 162,1157 0.162,1158 274.461,1159 483.37,1160 661.445,1161 54030,1163 27.612,1164 0.727,1165 0.589,1166 27.612,1167 22.394,1168 17.963,1169 0.438,1170 0.311,1171 12.547,1172 17.174,1173 12.062,1174 10.088,1175 17.963,1176 12.734,1177 17.528,1178 0.292,1179 0.182,1180 17.528,1181 10.944,1182 13.375,1183 0.176,1184 0.085,1185 13.375,1186 6.492,1187 11.168,1188 0.111,1189 0.046,1190 11.168,1191 4.671,1192 8.78,1193 0.07,1194 0.025,1195 8.78,1196 3.162,1197 0.26,1198 113.463,1199 0.196,1200 34.691,1201 0.428,1202 202,1203 606.693,1204 225.999,1205 578.71,1206 776.41,1207 536,1208 237,1209 569.087,1210 260.896,1211 572.115,1212 832.7,1213 534,1214 5.337} {0 CHEMBL495502,1 1.523,2 13.657,3 2.006,4 4.022,5 132.377,6 7.114,7 0.447,8 4.289,9 4.411,10 3.802,11 3.807,12 5.398,13 3.781,14 4.834,15 5.008,16 4.177,17 4.213,18 5.885,19 4.166,20 5.159,21 5.366,22 4.264,23 4.409,24 6.212,25 4.333,26 5.302,27 5.546,28 4.28,29 4.449,30 6.255,31 4.347,32 5.302,33 5.526,34 4.234,35 4.424,36 6.364,37 4.329,38 5.323,39 5.581,40 4.233,41 4.378,42 6.453,43 4.271,44 5.147,45 5.367,46 4.086,47 4.287,48 6.328,49 4.19,50 5.051,51 5.291,52 3.888,53 4.159,54 6.098,55 4.038,56 0.105,57 0.962,58 14.644,59 6.245,60 16.37,61 8.339,62 0.245,63 1.553,64 26.908,65 10.413,66 36.553,67 14.453,68 0.515,69 2.028,70 39.085,71 13.239,72 86.761,73 18.854,74 0.511,75 2.159,76 46.687,77 16.488,78 81.207,79 23.46,80 0.692,81 2.137,82 46.878,83 15.207,84 106.872,85 21.361,86 0.995,87 2.031,88 49.746,89 16.534,90 143.774,91 23.455,92 0.718,93 1.797,94 40.444,95 13.574,96 129.141,97 18.666,98 0.441,99 1.635,100 36.62,101 12.401,102 81.535,103 17.562,104 40,105 54,106 0.241,107 0.603,108 0.782,109 0.84,110 0.844,111 0.844,112 3.588,113 0.937,114 -3.42,115 -3.4,116 -3.25,117 40.3,118 3,119 3,122 1,123 2,124 1,128 9,129 3,130 1,132 2,136 2,145 1,147 10,150 9,152 2,153 9,154 16,158 9,159 1,161 3,163 8,166 10,167 1,168 2,169 7,171 15,173 1,174 3,177 1,178 2,180 15,181 2,182 6,184 4,185 1,186 4,189 16,192 4,193 1,194 1,195 7,197 14,200 8,205 7,207 13,210 3,215 4,216 5,219 2200,220 23.248,221 23.248,222 23.248,223 23.248,224 23.248,225 20.966,226 31.479,227 13.578,228 23.581,229 18.707,230 18.707,231 18.707,232 18.707,233 18.707,234 15.159,235 52.413,236 6.392,237 19.16,238 4.543,239 2.247,240 1.116,241 0.75,242 0.72,243 0.72,244 4.28,247 1,248 1022,249 4.243,251 473.134,254 185.405,255 2.145,256 39.648,258 1,259 0.83,260 1,261 1,262 1,263 1,264 1,265 0.98,266 76,267 478,268 4.529,269 3.904,270 7.276,271 4.396,272 3.419,273 4.469,274 2.071,275 13.059,276 3.337,277 4.45,278 3.66,279 6.531,280 4.057,281 3.073,282 3.784,283 1.151,284 10.315,285 3.024,286 4.141,287 3.33,288 6.014,289 3.784,290 2.784,291 3.435,292 1.058,293 8.541,294 2.782,295 3.714,296 3.201,297 5.347,298 3.373,299 2.417,300 3.047,301 0.589,302 6.918,303 2.327,304 3.571,305 3.029,306 5.249,307 3.332,308 2.362,309 2.996,310 0.4,311 6.608,312 2.262,313 3.564,314 2.845,315 5.185,316 3.143,317 2.16,318 2.843,320 6.25,321 2.122,322 3.464,323 2.527,324 5.016,325 3.114,326 2.124,327 2.697,329 5.943,330 2.079,331 3.279,332 2.347,333 4.927,334 3.03,335 2.056,336 2.303,338 5.607,339 1.994,340 2.889,341 2.28,342 4.732,343 2.861,344 1.879,345 2.077,347 5.06,348 1.844,349 2.879,350 1.96,351 4.202,352 2.393,353 1.401,354 1.879,356 3.58,357 1.389,358 2.798,359 1.951,360 3.859,361 2.342,362 1.348,363 1.811,365 3.089,366 1.324,367 2.509,368 1.421,369 3.604,370 2.088,371 1.102,372 1.508,374 2.773,375 1.083,376 2.5,377 1.333,378 3.414,379 2,380 1,381 1.5,383 2.275,384 1,385 1.836,386 1,387 3.377,388 1.487,389 0.573,390 0.7,392 1.394,393 0.518,394 1.5,395 0.884,396 3.266,397 1.397,398 0.395,399 0.409,401 0.585,402 0.394,403 16.433,404 0.47,405 0.993,406 0.028,407 41.5,408 1.186,409 19.5,410 0.557,411 22,412 0.629,413 35.751,414 1.021,415 38.767,416 0.579,417 34.622,418 0.989,419 8.123,420 0.232,421 8.642,422 0.247,423 0.152,424 0.03,425 0.304,428 0.754,429 1.213,430 0.847,431 1.07,432 0.667,433 0.984,434 0.751,435 1.225,436 0.845,437 1.069,438 0.56,439 0.987,440 1.043,441 1.07,442 1.119,443 1.047,444 0.813,445 1.07,446 0.844,447 1.001,448 0.882,449 1.01,450 0.825,451 0.965,452 1.305,453 1.014,454 1.193,455 1.071,456 1.47,457 1.1,458 0.925,459 0.781,460 0.823,461 0.824,462 1.022,463 0.82,464 1.348,465 0.961,466 1.152,467 0.985,468 1.627,469 1.036,470 1.156,471 1.054,472 1.122,473 1.078,474 1.203,475 1.094,476 9.5,477 0.227,478 3.778,479 3.25,480 2.253,481 1.41,482 0.875,483 0.563,484 0.307,485 0.291,486 19052,487 49076,488 2.034,489 47.8,491 13,494 4,495 5,496 6,497 4,498 1.764,499 1.883,500 3.634,501 1.491,506 102.046,507 1.523,508 3.819,509 4.95,510 5.316,511 5.346,512 5.346,513 2.946,514 4.55,515 5.105,516 3.909,517 2325.94,518 8.942,519 38005,523 406.428,524 1.592,525 5.043,526 0.25,527 0.009,528 0.07,529 0.058,530 0.04,531 0.028,532 0.017,533 0.013,534 0.009,535 0.011,536 0.504,537 0.17,538 0.88,539 1.022,540 191.643,541 0.005,542 0.023,543 0.032,544 0.05,545 -0.044,546 0.046,547 0.053,548 -0.09,549 0.073,550 -0.004,551 0.067,552 0.027,553 -0.101,554 0.033,555 -0.16,556 -0.053,557 -0.002,558 -0.098,559 0.038,560 -0.029,561 0.091,562 -0.011,563 0.023,564 0.038,565 -0.139,566 -0.002,567 -0.19,568 -0.103,569 -0.187,570 -0.143,571 0.198,572 0.117,573 0.196,574 0.147,575 0.161,576 0.164,577 -0.112,578 0.011,579 -0.144,580 0.004,581 -0.099,582 -0.065,583 -0.138,584 -0.089,585 -0.133,586 -0.093,587 -0.132,588 -0.109,589 2.186,590 6.102,591 0.629,592 39.184,593 1.001,594 1.129,595 2.191,596 4.801,597 0.649,598 3.664,599 4.007,600 4.234,601 4.533,602 4.727,603 4.804,604 4.779,605 4.852,606 4.913,607 4.934,608 8.346,609 0.617,610 476.63,611 3.664,612 5.22,613 6.061,614 6.956,615 7.813,616 8.714,617 9.577,618 10.479,619 11.344,620 12.248,621 6,622 1,624 2,626 1,628 2,629 9,630 1,632 4,634 17,635 1,639 1,641 67,642 19,643 2,644 38,645 70,646 27,647 15,648 4,649 8,650 1,651 4,652 5,653 3,654 4,655 1,657 5,659 17,660 10,661 1,662 2,665 2,666 2,670 32,671 8,672 4,673 8,677 4,678 0.75,679 4,682 1,686 4,689 1,696 1,697 1,700 1,702 3,705 3,708 35,712 1,713 4,714 3,715 1,717 2,719 1,724 6,725 1,727 2,729 1,731 18.583,732 12.567,733 7.667,734 3.997,735 3.434,736 1.431,737 0.936,738 7.703,739 11.401,740 3.902,741 4.477,742 4.992,743 5.556,744 6.078,745 6.312,746 6.584,747 6.898,748 7.286,749 7.366,750 0.889,751 56,752 13.019,753 5.603,754 7.821,755 24.748,756 20.554,757 2.321,758 81.25,760 329.591,761 152.456,762 67.28,763 104.095,766 152.456,767 433.686,768 67.28,769 26.476,770 44.679,771 146.103,772 76.485,773 30.088,775 329.591,777 329.591,778 219.735,779 104.095,782 211.88,783 179.001,784 42.806,785 94.067,786 108.883,787 16.786,789 329.591,790 171.375,791 152.456,794 329.591,795 40.694,796 111.762,797 50.494,798 120.881,799 329.591,800 171.375,801 152.456,803 0.584,804 0.333,805 0.187,806 0.103,807 25,808 12,809 0.1,810 7,811 1,812 1.091,813 4.49,814 325.74,815 0.091,816 22,817 166.77,820 25.116,821 10.735,822 6.176,823 1.986,824 171.375,825 16.961,826 4.566,828 3.108,830 93.3,831 653.422,832 48.5,835 25.102,836 -0.784,837 67.087,838 75.644,839 0.251,840 0.63,841 0.816,842 0.876,843 0.881,844 0.881,845 5.16,846 2.056,847 6.08,848 5.943,849 4.691,850 5.165,851 2.674,852 6.921,853 4.647,854 6.372,855 1.879,856 7.659,857 5.607,858 4.443,859 5.047,860 1.593,861 8.074,862 4.389,863 7.69,864 1.401,865 9.343,866 5.06,867 6.351,868 7.332,869 3.498,870 11.125,871 6.264,872 9.037,873 1.348,874 11.093,875 3.58,876 6.878,877 7.985,878 3.334,879 13.155,880 6.781,881 10.415,882 1.102,883 12.89,884 3.089,885 8.317,886 9.814,887 4.644,888 15.818,889 8.192,890 11.813,891 1,892 14.722,893 2.773,894 9.209,895 10.857,896 4.933,897 18.191,898 9.069,899 13.23,900 0.573,901 16.581,902 2.275,903 10.478,904 12.493,905 5.959,906 20.76,907 10.314,908 3.419,909 0.395,910 18.462,911 1.394,912 11.541,913 13.747,914 6.462,915 23.254,916 11.358,917 3.073,918 13.059,919 20.36,920 0.585,921 12.754,922 15.296,923 7.349,924 25.808,925 12.548,926 2.784,927 10.315,928 22.273,929 4.469,930 13.895,931 16.663,932 7.957,933 28.344,934 13.666,935 2.417,936 8.541,937 24.198,938 3.784,939 15.095,940 18.174,941 8.772,942 30.9,943 14.842,944 2.362,945 6.918,946 26.132,947 3.435,948 16.272,949 19.6,950 9.434,951 33.453,952 15.995,953 2.16,954 6.608,955 28.074,956 3.047,957 17.473,958 21.096,959 10.211,960 36.012,961 17.171,962 2.124,963 6.25,964 30.022,965 2.996,966 18.668,967 22.554,968 10.902,969 38.573,970 18.34,971 18232,972 29401,973 24.849,974 43.5,975 56.958,976 61.473,977 59.538,978 56.146,979 56.187,980 70.919,981 10.538,982 163.99,983 54.961,984 5.529,985 5.904,986 6.958,987 5.458,988 5.419,989 7.469,990 3.641,991 20.01,992 5.337,993 19.814,994 1.499,995 1.618,996 1.567,997 1.478,998 1.479,999 1.866,1000 0.277,1001 4.316,1002 1.446,1003 4.091,1004 4.117,1005 4.049,1006 4.021,1007 7.433,1008 4.024,1009 3.975,1010 4.017,1011 3.908,1012 3.868,1013 7.427,1014 3.872,1015 3.873,1016 3.904,1017 3.792,1018 3.771,1019 6.493,1020 3.77,1021 3.561,1022 3.613,1023 3.467,1024 3.447,1025 4.993,1026 3.438,1027 3.537,1028 3.583,1029 3.438,1030 3.324,1031 4.812,1032 3.345,1033 3.377,1034 3.452,1035 3.314,1036 3.217,1037 4.473,1038 3.19,1039 3.367,1040 3.412,1041 3.151,1042 3.138,1043 4.405,1044 3.166,1045 3.247,1046 3.312,1047 3.12,1048 3.029,1049 4.286,1050 3.049,1051 0.119,1052 0.103,1053 0.191,1054 0.116,1055 0.09,1056 4.529,1057 0.118,1058 3.904,1059 0.054,1060 7.276,1061 0.344,1062 4.396,1063 0.088,1064 3.419,1065 4.469,1066 2.071,1067 13.059,1068 3.337,1069 2.049,1070 2.027,1071 2.128,1072 2.133,1073 1.454,1074 2.133,1075 1.926,1076 1.894,1077 2.084,1078 2.08,1079 1.272,1080 2.084,1081 1.862,1082 1.824,1083 1.984,1084 1.973,1085 1.074,1086 1.977,1087 1.547,1088 1.504,1089 1.749,1090 1.746,1091 0.97,1092 1.725,1093 1.476,1094 1.421,1095 1.733,1096 1.678,1097 0.913,1098 1.703,1099 1.405,1100 1.325,1101 1.701,1102 1.606,1103 0.832,1104 1.655,1105 1.28,1106 1.234,1107 1.545,1108 1.553,1109 0.694,1110 1.528,1111 1.168,1112 1.119,1113 1.392,1114 1.457,1115 0.503,1116 1.453,1117 4.344,1118 5.68,1120 7.207,1122 8.828,1124 10.499,1125 6.004,1129 9.055,1130 1.553,1131 8.2,1132 6.007,1134 0.239,1136 -0.747,1139 41.32,1140 102.046,1141 255.904,1142 331.634,1143 356.163,1144 358.163,1145 358.163,1146 85.845,1147 7.967,1148 112.58,1149 112.58,1150 24,1151 12.775,1152 4.322,1153 3.524,1154 59.771,1155 180,1156 144,1157 0.161,1158 254.078,1159 446.28,1160 611.711,1161 35932,1163 25.001,1164 0.714,1165 0.58,1166 25.001,1167 20.298,1168 16.765,1169 0.441,1170 0.312,1171 11.721,1172 16.135,1173 11.334,1174 9.443,1175 16.765,1176 11.864,1177 15.656,1178 0.29,1179 0.177,1180 15.656,1181 9.576,1182 12.227,1183 0.18,1184 0.094,1185 12.227,1186 6.406,1187 10.847,1188 0.118,1189 0.056,1190 10.847,1191 5.187,1192 8.232,1193 0.074,1194 0.029,1195 8.232,1196 3.209,1197 0.26,1198 105.114,1199 0.201,1200 32.537,1201 0.425,1202 184,1203 522,1204 201.293,1205 503.038,1206 677.44,1207 468,1208 214,1209 492.267,1210 230.02,1211 498.345,1212 719.48,1213 467,1214 5.783} {0 CHEMBL496716,1 2.136,2 11.357,3 0.84,4 0.706,5 94.181,6 10.127,7 0.414,8 3.902,9 3.967,10 3.945,11 3.456,12 5.191,13 3.436,14 4.414,15 4.506,16 4.183,17 3.801,18 6.116,19 3.785,20 4.707,21 4.85,22 4.264,23 3.932,24 6.248,25 3.886,26 4.784,27 4.932,28 4.219,29 3.834,30 6.299,31 3.819,32 4.714,33 4.861,34 4.282,35 3.747,36 6.349,37 3.75,38 4.651,39 4.785,40 4.299,41 3.728,42 6.61,43 3.737,44 4.621,45 4.773,46 4.085,47 3.694,48 6.456,49 3.701,50 4.533,51 4.7,52 3.945,53 3.624,54 6.055,55 3.614,56 0.33,57 0.81,58 8.707,59 4.571,60 68.591,61 3.62,62 0.823,63 1.219,64 11.974,65 7.359,66 128.956,67 6.414,68 1.278,69 1.475,70 28.547,71 10.857,72 231.84,73 9.157,74 1.585,75 1.313,76 33.913,77 9.786,78 291.392,79 7.589,80 1.51,81 1.171,82 33.254,83 9.124,84 283.103,85 7.514,86 1.634,87 1.164,88 26.041,89 8.651,90 340.257,91 8.274,92 1.452,93 1.098,94 20.883,95 7.894,96 280.934,97 7.736,98 1.154,99 1.092,100 24.002,101 8.032,102 187.572,103 6.975,104 67,105 42,106 0.37,107 0.635,108 0.697,109 0.745,110 0.77,111 0.786,112 3.374,113 1.085,114 -2.33,115 -2.37,116 -2.33,117 34.9,122 1,123 1,128 8,130 4,136 1,145 1,147 4,149 2,152 5,154 4,158 8,159 2,160 2,161 4,163 4,166 8,167 1,168 2,169 4,173 2,176 6,177 1,181 2,182 2,184 4,186 6,191 4,192 4,193 2,195 10,200 10,205 6,210 8,215 2,216 4,219 1352,220 17.712,221 17.712,222 17.712,223 17.712,224 17.712,225 15.504,226 14.542,227 10.073,228 18.215,229 14.155,230 14.155,231 14.155,232 14.155,233 14.155,234 10.659,235 8.526,236 4.651,237 14.987,238 3.29,239 1.756,240 1.395,241 1.116,242 0.977,243 0.884,244 4.028,246 1,247 1,248 648,249 4.899,251 228.261,255 1.551,256 76.682,258 1,259 0.83,260 1,261 0.4,263 0.83,264 0.5,265 0.65,266 66.5,267 318,268 4.857,269 4.688,270 7.312,271 4.325,272 3.404,273 4.702,274 2.104,275 12.528,276 3.112,277 4.842,278 4.683,279 7.293,280 4.286,281 3.37,282 4.695,283 0.677,284 12.405,285 3.058,286 3.915,287 3.931,288 6.001,289 3.684,290 2.696,291 3.4,293 8.418,294 2.646,295 3.834,296 3.19,297 5.148,298 3.349,299 2.399,300 3.393,302 6.32,303 2.27,304 3.81,305 2.875,306 5.139,307 3.336,308 2.384,309 3.056,311 6.297,312 2.257,313 3.084,314 2.874,315 4.734,316 2.631,317 1.667,318 2.29,320 4.764,321 1.587,322 3.075,323 2.232,324 4.727,325 2.58,326 1.616,327 2.282,329 4.734,330 1.539,331 2.632,332 1.85,333 4.077,334 2.35,335 1.371,336 1.583,338 3.421,339 1.332,340 2.5,341 1.669,342 3.414,343 2,344 1,345 1.5,347 2.275,348 1,349 2.5,350 1,351 3.414,352 2,353 1,354 1.5,356 2.275,357 1,358 1.651,359 1,360 3.377,361 1.469,362 0.532,363 0.569,365 1.232,366 0.495,367 1.456,368 0.997,369 3.04,370 1.183,371 0.148,372 0.174,374 0.21,375 0.152,376 1.12,377 0.637,378 2.68,379 0.678,380 -0.21,381 -0.259,383 -0.463,384 -0.179,385 1.119,386 0.489,387 2.591,388 0.661,389 -0.229,390 -0.29,392 -0.503,393 -0.196,394 1,395 0.045,396 2.349,397 0.377,398 -0.621,399 -0.725,401 -1.943,402 -0.616,403 12.938,404 0.462,405 1.038,406 0.037,407 36.75,408 1.313,409 19.5,410 0.696,411 17.25,412 0.616,413 20.852,414 0.745,415 32.662,416 0.76,417 34.374,418 1.228,419 7.498,420 0.268,421 5.55,422 0.198,423 0.199,424 0.129,425 0.232,427 2,428 0.568,429 1.086,430 0.836,431 1.317,432 0.691,433 0.892,434 0.626,435 1.045,436 0.9,437 1.049,438 0.612,439 1.04,440 1.004,441 1.079,442 1.298,443 1.232,444 0.949,445 1.113,446 1.332,447 0.912,448 1.435,449 1.163,450 1.345,451 1.088,452 0.967,453 0.717,454 0.943,455 0.92,456 1.127,457 0.915,458 0.545,459 0.815,460 0.796,461 1.044,462 0.673,463 0.986,464 0.818,465 0.845,466 0.778,467 0.814,468 0.745,469 0.955,470 1.19,471 0.977,472 1.129,473 1.013,474 1.056,475 0.981,476 9,477 0.169,478 5.111,479 2.25,480 1.724,481 1.486,482 0.753,483 0.505,484 0.485,485 0.266,486 8657,487 42194,488 1.88,489 34.9,491 11,494 4,498 1.714,499 1.697,500 3.436,501 1.874,503 1,506 91.858,507 2.136,508 3.67,509 4.031,510 4.31,511 4.45,512 4.543,513 2.864,514 4.28,515 4.779,516 3.582,517 1354.11,518 8.33,519 17992.9,521 1,523 233.329,524 1.788,525 4.676,526 0.31,527 0.008,528 0.122,529 0.052,530 0.045,531 0.039,532 0.019,533 0.014,534 0.015,535 0.009,536 0.634,537 0.17,538 0.88,539 1.031,540 140.541,541 0.025,542 -0.021,543 0.204,544 -0.038,545 -0.116,546 0.087,547 0.106,548 -0.061,549 -0.056,550 -0.023,551 0.126,552 -0.119,553 -0.14,554 -0.081,555 -0.181,556 -0.093,557 -0.068,558 -0.093,559 -0.359,560 -0.06,561 -0.297,562 -0.096,563 -0.308,564 -0.127,565 -0.042,566 -0.037,567 0.092,568 0.031,569 -0.139,570 0.036,571 0.429,572 0.049,573 0.214,574 -0.061,575 0.332,576 -0.007,577 0.083,578 -0.09,579 0.065,580 0.017,581 0.171,582 0.003,583 -0.271,584 -0.092,585 -0.116,586 -0.038,587 -0.16,588 0.021,589 5.259,590 5.292,591 0.429,592 23.918,593 1.061,594 1.144,595 1.104,596 1.219,597 0.68,598 3.401,599 3.761,600 3.912,601 4.007,602 4.205,603 4.234,604 4.078,605 3.932,606 4.007,607 3.97,608 6.534,609 0.679,610 435.47,611 3.401,612 4.963,613 5.784,614 6.663,615 7.508,616 8.389,617 9.241,618 10.123,619 10.979,620 11.861,621 7,622 2,624 1,629 8,632 4,634 12,640 2,641 43,642 17,643 2,644 29,645 44,646 15,647 12,648 4,649 8,651 2,652 2,657 1,659 13,660 2,662 5,664 2,665 5,666 1,668 1,669 2,670 15,671 11,672 4,673 13,674 2,677 3,678 1,679 6,686 2,696 1,700 1,702 2,704 2,706 2,708 28,711 2,712 1,713 1,714 3,717 1,723 2,724 14,725 1,727 5,731 16.5,732 7.152,733 6.111,734 2.073,735 1.823,736 1.276,737 0.943,738 6.959,739 8.423,740 3.714,741 4.357,742 4.732,743 5.11,744 5.59,745 5.725,746 5.641,747 5.207,748 5.509,749 5.686,750 0.875,751 43,752 11.255,753 5.816,754 8.839,755 18.204,756 14.931,757 3.339,758 93.5,760 129.482,761 115.579,762 47.283,763 156.577,764 29.92,765 11.615,766 103.964,767 286.059,768 77.203,770 16.578,771 163.041,772 118.475,773 21.344,774 29.92,775 129.482,777 129.482,778 151.247,779 186.497,780 11.615,782 159.402,783 113.771,784 42.806,785 49.388,786 101.858,787 11.615,789 159.402,790 203.859,791 115.579,793 11.615,794 129.482,795 28.154,796 75.81,797 47.283,798 186.497,799 129.482,800 233.779,801 115.579,803 0.599,804 0.334,805 0.146,806 0.084,807 18,808 10,809 0.182,810 8,812 1,813 3.739,814 228.554,816 12,817 122.606,819 2,820 22.047,821 8.838,822 5.873,824 233.779,825 7.402,828 -2.052,830 90.088,831 478.84,832 40,834 -8.545,835 60.696,836 -1.243,837 45.633,838 49.177,839 0.394,840 0.676,841 0.743,842 0.794,843 0.82,844 0.837,845 4.97,846 1.371,847 5.861,848 4.734,849 4.443,850 5.043,851 2.286,852 6.739,853 4.328,854 6.253,855 1,856 7.493,857 3.421,858 4.443,859 5.38,860 1.593,861 8.169,862 4.203,863 7.647,864 1,865 9.247,866 2.275,867 6.209,868 7.449,869 3.374,870 11.128,871 5.938,872 9.084,873 0.532,874 11.074,875 2.275,876 6.957,877 8.538,878 3.395,879 13.313,880 6.546,881 10.556,882 0.148,883 12.949,884 1.232,885 8.329,886 10.234,887 4.671,888 15.949,889 7.873,890 12.052,891 -0.21,892 14.856,893 0.21,894 9.362,895 11.6,896 5.041,897 18.366,898 8.771,899 13.566,900 -0.229,901 16.785,902 -0.463,903 10.617,904 13.191,905 6.064,906 20.92,907 9.96,908 3.404,909 -0.621,910 18.729,911 -0.503,912 11.759,913 14.663,914 6.606,915 23.409,916 10.982,917 3.37,918 12.528,919 20.685,920 -1.943,921 12.982,922 16.223,923 7.501,924 25.941,925 12.123,926 2.696,927 12.405,928 22.648,929 4.702,930 14.168,931 17.738,932 8.134,933 28.452,934 13.198,935 2.399,936 8.418,937 24.618,938 4.695,939 15.383,940 19.288,941 8.962,942 30.978,943 14.323,944 2.384,945 6.32,946 26.592,947 3.4,948 16.587,949 20.821,950 9.643,951 33.497,952 15.423,953 1.667,954 6.297,955 28.569,956 3.393,957 17.802,958 22.369,959 10.434,960 36.021,961 16.544,962 1.616,963 4.764,964 30.549,965 3.056,966 19.014,967 23.91,968 11.143,969 38.542,970 17.656,971 8822,972 19636,973 17.682,974 29.244,975 43.208,976 48.549,977 45.833,978 43.46,979 43.171,980 58.285,981 5.562,982 129.753,983 40.894,984 5.794,985 6.688,986 6.856,987 5.393,988 5.404,989 7.702,990 3.694,991 19.916,992 5.112,993 19.086,994 1.49,995 1.674,996 1.58,997 1.499,998 1.489,999 2.01,1000 0.192,1001 4.474,1002 1.41,1003 4.105,1004 4.086,1005 4.75,1006 4.082,1007 8.203,1008 3.993,1009 4.04,1010 4.015,1011 4.72,1012 4.033,1013 8.2,1014 3.943,1015 3.742,1016 3.778,1017 3.735,1018 3.606,1019 7.72,1020 3.59,1021 3.628,1022 3.611,1023 3.716,1024 3.531,1025 7.713,1026 3.462,1027 3.498,1028 3.478,1029 3.556,1030 3.321,1031 7.431,1032 3.295,1033 3.092,1034 3.149,1035 2.975,1036 2.735,1037 6.999,1038 2.778,1039 2.854,1040 2.925,1041 2.687,1042 2.735,1043 6.999,1044 2.715,1045 2.854,1046 2.925,1047 2.687,1048 2.735,1049 6.493,1050 2.715,1051 0.167,1052 0.162,1053 0.252,1054 0.149,1055 0.117,1056 4.857,1057 0.162,1058 4.688,1059 0.073,1060 7.312,1061 0.432,1062 4.325,1063 0.107,1064 3.404,1065 4.702,1066 2.104,1067 12.528,1068 3.112,1069 1.962,1070 1.972,1071 1.968,1072 2.049,1073 1.211,1074 2.084,1075 1.942,1076 1.952,1077 1.962,1078 2.011,1079 1.145,1080 2.045,1081 1.66,1082 1.627,1083 1.79,1084 1.863,1085 1.024,1086 1.853,1087 1.43,1088 1.466,1089 1.287,1090 1.62,1091 0.574,1092 1.643,1093 1.282,1094 1.313,1095 1.181,1096 1.534,1097 0.439,1098 1.518,1099 0.933,1100 0.871,1101 1.181,1102 1.286,1103 0.218,1104 1.284,1105 0.886,1106 0.821,1107 1.11,1108 1.062,1109 0.218,1110 1.107,1111 0.886,1112 0.821,1113 1.013,1114 1.062,1115 0.142,1116 1.107,1117 4.078,1118 5.425,1120 6.956,1122 8.56,1124 10.202,1126 25.862,1129 8.783,1130 -0.771,1131 5.109,1134 -1.74,1139 29.181,1140 91.858,1141 157.82,1142 173.329,1143 185.329,1144 191.329,1145 195.329,1146 138.379,1147 6.6,1148 141.67,1149 158.43,1150 12,1151 12.401,1152 4.17,1153 3.585,1154 61.727,1155 106,1156 118,1157 0.274,1158 188.396,1159 337.96,1160 451.445,1161 5416,1162 4.7,1163 20.949,1164 0.748,1165 0.557,1166 19.709,1167 15.597,1168 13.048,1169 0.45,1170 0.362,1171 7.595,1172 10.691,1173 7.276,1174 5.985,1175 13.902,1176 10.487,1177 12.779,1178 0.304,1179 0.212,1180 14.159,1181 8.891,1182 9.638,1183 0.197,1184 0.13,1185 10.999,1186 6.377,1187 6.608,1188 0.122,1189 0.079,1190 8.232,1191 4.268,1192 5.191,1193 0.079,1194 0.046,1195 6.667,1196 3.02,1197 0.429,1198 101.09,1199 0.238,1200 26.702,1201 0.759,1202 142,1203 703.769,1204 240.187,1205 653.385,1206 824.1,1207 588,1208 162,1209 507.444,1210 273.261,1211 565.709,1212 811.51,1213 526,1214 5.34} {0 CHEMBL496717,1 1.93,2 10.077,3 0.429,4 0.184,5 93.748,6 9.29,7 0.444,8 3.881,9 3.954,10 3.885,11 3.459,12 5.073,13 3.411,14 4.389,15 4.491,16 4.087,17 3.807,18 5.994,19 3.749,20 4.671,21 4.826,22 4.168,23 3.939,24 6.076,25 3.846,26 4.759,27 4.915,28 4.166,29 3.839,30 6.201,31 3.793,32 4.704,33 4.856,34 4.165,35 3.752,36 6.345,37 3.728,38 4.613,39 4.764,40 4.13,41 3.733,42 6.241,43 3.696,44 4.601,45 4.76,46 4.029,47 3.698,48 6.405,49 3.677,50 4.5,51 4.679,52 3.845,53 3.631,54 5.941,55 3.574,56 0.247,57 0.682,58 11.146,59 4.52,60 44.261,61 4.196,62 0.653,63 1.012,64 15.033,65 7.258,66 98.659,67 7.298,68 0.821,69 1.252,70 30.293,71 10.726,72 137.215,73 10.519,74 1.158,75 1.255,76 35.798,77 9.742,78 194.855,79 8.798,80 1.343,81 1.131,82 34.875,83 9.066,84 222.362,85 8.168,86 1.128,87 1.05,88 28.021,89 8.635,90 226.84,91 8.597,92 1.148,93 1.03,94 22.591,95 7.853,96 222.957,97 8.465,98 0.734,99 0.96,100 24.893,101 7.955,102 99.579,103 7.976,104 39,105 38,106 0.334,107 0.577,108 0.646,109 0.723,110 0.77,111 0.786,112 3.304,113 1.143,114 -1.55,115 -1.62,116 -1.66,117 34.9,122 1,123 1,128 10,130 2,136 1,145 1,147 8,149 2,152 5,154 8,158 8,159 2,160 2,161 4,163 4,166 8,167 1,168 2,169 4,173 2,174 4,176 6,177 1,178 2,181 2,182 2,184 4,186 6,191 4,192 4,193 2,195 10,200 11,205 9,210 9,215 4,216 4,219 1096,220 16.816,221 16.816,222 16.816,223 16.816,224 16.816,225 14.659,226 11.287,227 9.901,228 17.195,229 13.223,230 13.223,231 13.223,232 13.223,233 13.223,234 9.85,235 7.201,236 4.575,237 13.804,238 3.497,239 2.092,240 1.691,241 1.244,242 0.977,243 0.884,244 3.959,246 1,247 1,248 536,249 4.796,251 210.061,255 1.325,256 57.15,258 1,259 0.83,260 1,261 0.6,263 0.83,264 0.5,265 0.68,266 59.5,267 262,268 4.855,269 4.688,270 7.312,271 4.323,272 3.402,273 4.699,274 2.104,275 12.526,276 3.11,277 4.84,278 4.682,279 7.292,280 4.284,281 3.367,282 4.693,283 0.677,284 12.403,285 3.055,286 3.899,287 3.931,288 6.001,289 3.679,290 2.69,291 3.12,293 8.416,294 2.642,295 3.554,296 3.19,297 4.925,298 3.035,299 2.038,300 3.052,302 5.38,303 2.032,304 3.544,305 2.259,306 4.91,307 3.019,308 2.018,309 2.99,311 5.334,312 2.018,313 2.74,314 2.051,315 4.111,316 2.448,317 1.471,318 1.806,320 3.517,321 1.423,322 2.703,323 1.926,324 3.685,325 2.207,326 1.222,327 1.778,329 2.798,330 1.199,331 2.601,332 1.44,333 3.588,334 2.147,335 1.154,336 1.554,338 2.696,339 1.143,340 2.5,341 1.278,342 3.247,343 2,344 1,345 1.5,347 2.136,348 1,349 2.5,350 1,351 3.247,352 2,353 1,354 1.5,356 2.136,357 1,358 1.649,359 1,360 3.235,361 1.457,362 0.515,363 0.558,365 1.186,366 0.483,367 1.455,368 0.825,369 2.927,370 1.179,371 0.143,372 0.169,374 0.203,375 0.147,376 1,377 0.208,378 2.56,379 0.394,380 -0.597,381 -0.675,383 -1.586,384 -0.581,385 1,386 0.084,387 2.506,388 0.23,389 -0.729,390 -1.021,392 -1.637,393 -0.679,394 0.741,395 -0.044,396 2.344,397 0.224,398 -0.741,399 -1.062,401 -1.972,402 -0.703,403 12.367,404 0.476,405 0.826,406 0.032,407 35.25,408 1.356,409 19.5,410 0.75,411 15.75,412 0.606,413 18.374,414 0.707,415 29.633,416 0.689,417 30.695,418 1.181,419 7.09,420 0.273,421 5.17,422 0.199,423 0.162,424 0.135,425 0.162,428 0.54,429 1.287,430 0.869,431 1.323,432 0.718,433 0.913,434 0.568,435 1.131,436 0.939,437 1.048,438 0.594,439 1.068,440 0.882,441 1.149,442 1.228,443 1.238,444 0.865,445 1.086,446 1.485,447 1.096,448 1.359,449 1.175,450 1.506,451 1.027,452 1.297,453 0.898,454 1.08,455 0.922,456 1.396,457 0.904,458 0.917,459 1.057,460 0.903,461 1.056,462 1.05,463 0.979,464 0.862,465 1.031,466 0.74,467 0.82,468 0.761,469 0.917,470 1.203,471 1.046,472 1.067,473 1.016,474 1.018,475 0.958,476 7,477 0.07,478 4.222,479 2.125,480 1.378,481 1.153,482 0.673,483 0.425,484 0.37,485 0.206,486 7023,487 27720,488 1.913,489 39.5,491 13,494 4,498 1.696,499 1.753,500 3.295,501 1.887,503 1,506 82.974,507 1.93,508 3.334,509 3.735,510 4.182,511 4.45,512 4.543,513 2.685,514 4.056,515 4.675,516 3.439,517 1117.7,518 8.124,519 14063.4,521 1,523 233.329,524 1.669,525 4.588,526 0.259,527 0.005,528 0.111,529 0.054,530 0.038,531 0.032,532 0.02,533 0.012,534 0.013,535 0.009,536 0.553,537 0.17,538 0.88,539 1.031,540 126.709,541 0.089,543 0.249,544 -0.04,545 -0.15,546 0.081,547 0.231,548 0.022,549 -0.05,550 -0.019,551 0.187,552 -0.137,553 -0.022,554 -0.088,555 -0.091,556 -0.096,557 0.009,558 -0.069,559 -0.313,560 -0.075,561 -0.198,562 -0.1,563 -0.279,564 -0.092,565 -0.033,566 0.086,567 -0.036,568 0.043,569 -0.089,570 -0.008,571 0.179,572 -0.094,573 0.11,574 -0.067,575 0.075,576 -0.021,577 0.226,578 -0.1,579 0.095,580 0.019,581 0.333,582 0.004,583 -0.22,584 -0.075,585 -0.056,586 -0.037,587 -0.076,588 0.023,589 5.02,590 5.307,591 0.462,592 20.024,593 1.037,594 1.128,595 0.319,596 0.102,597 0.683,598 3.332,599 3.664,600 3.829,601 3.932,602 4.078,603 3.97,604 4.007,605 3.807,606 3.807,607 3.761,608 6.045,609 0.661,610 399.49,611 3.332,612 4.875,613 5.694,614 6.567,615 7.409,616 8.284,617 9.136,618 10.011,619 10.867,620 11.742,621 7,622 2,624 1,629 10,632 2,634 12,641 43,642 17,643 2,644 27,645 44,646 15,647 12,648 2,649 10,651 2,652 2,657 1,659 13,660 2,662 5,664 2,665 5,666 1,668 1,670 17,671 9,672 4,673 11,674 2,677 3,678 1,679 6,686 2,696 1,700 1,702 2,704 2,708 26,711 2,712 1,713 1,714 3,717 1,724 14,725 1,727 5,731 14.833,732 7.033,733 5.778,734 2.113,735 1.785,736 1.279,737 0.942,738 6.611,739 8.193,740 3.664,741 4.277,742 4.649,743 5.026,744 5.455,745 5.341,746 5.592,747 5.089,748 5.329,749 5.538,750 0.857,751 39,752 10.3,753 5.111,754 8.506,755 17.362,756 14.192,757 3.006,758 78.167,760 153.024,761 116.289,762 47.283,763 156.577,765 11.615,766 104.674,767 309.601,768 47.283,770 16.578,771 181.993,772 118.475,773 3.101,775 153.024,777 153.024,778 151.957,779 156.577,780 11.615,782 153.024,783 113.771,784 42.806,785 49.388,786 102.569,787 11.615,789 153.024,790 203.859,791 116.289,793 11.615,794 153.024,795 9.912,796 94.762,797 47.283,798 156.577,799 153.024,800 203.859,801 116.289,803 0.586,804 0.335,805 0.157,806 0.084,807 16,808 8,809 0.182,810 8,812 1,813 3.611,814 205.522,816 12,817 110.211,819 2,820 20.198,821 8.51,822 5.438,824 203.859,825 14.584,828 -0.157,830 90.088,831 473.173,832 38,834 -8.067,835 60.768,836 -1.111,837 44.607,838 48.498,839 0.356,840 0.615,841 0.688,842 0.771,843 0.82,844 0.837,845 4.898,846 1.154,847 5.753,848 2.798,849 4.344,850 4.963,851 2.286,852 6.635,853 4.251,854 6.164,855 1,856 7.382,857 2.696,858 4.29,859 5.247,860 1.593,861 8.106,862 4.069,863 7.552,864 1,865 9.145,866 2.136,867 6.107,868 7.361,869 3.374,870 11.079,871 5.855,872 8.989,873 0.515,874 10.988,875 2.136,876 6.858,877 8.448,878 3.395,879 13.293,880 6.454,881 10.466,882 0.143,883 12.881,884 1.186,885 8.255,886 10.167,887 4.671,888 15.933,889 7.805,890 11.97,891 -0.597,892 14.803,893 0.203,894 9.3,895 11.541,896 5.041,897 18.359,898 8.709,899 13.494,900 -0.729,901 16.745,902 -1.586,903 10.568,904 13.145,905 6.064,906 20.915,907 9.911,908 3.402,909 -0.741,910 18.7,911 -1.637,912 11.721,913 14.625,914 6.606,915 23.406,916 10.939,917 3.367,918 12.526,919 20.663,920 -1.972,921 12.951,922 16.193,923 7.501,924 25.938,925 12.087,926 2.69,927 12.403,928 22.632,929 4.699,930 14.143,931 17.713,932 8.134,933 28.45,934 13.167,935 2.038,936 8.416,937 24.606,938 4.693,939 15.362,940 19.267,941 8.962,942 30.976,943 14.297,944 2.018,945 5.38,946 26.583,947 3.12,948 16.569,949 20.803,950 9.643,951 33.495,952 15.4,953 1.471,954 5.334,955 28.563,956 3.052,957 17.786,958 22.353,959 10.434,960 36.019,961 16.523,962 1.222,963 3.517,964 30.544,965 2.99,966 18.999,967 23.895,968 11.143,969 38.54,970 17.637,971 7130,972 14352,973 16.871,974 29.369,975 39.902,976 44.647,977 41.406,978 40.179,979 40.039,980 54.838,981 5.562,982 117.462,983 38.505,984 5.792,985 6.688,986 7.114,987 5.384,988 5.402,989 7.699,990 3.694,991 19.909,992 5.11,993 15.3,994 1.478,995 1.654,996 1.534,997 1.488,998 1.483,999 2.031,1000 0.206,1001 4.35,1002 1.426,1003 4.102,1004 4.083,1005 4.75,1006 4.082,1007 7.721,1008 3.991,1009 4.036,1010 4.011,1011 4.72,1012 4.033,1013 7.713,1014 3.94,1015 3.732,1016 3.772,1017 3.69,1018 3.607,1019 7.431,1020 3.585,1021 3.612,1022 3.601,1023 3.667,1024 3.532,1025 6.999,1026 3.454,1027 3.49,1028 3.472,1029 3.552,1030 3.321,1031 6.999,1032 3.291,1033 3.088,1034 3.145,1035 2.971,1036 2.736,1037 6.493,1038 2.776,1039 2.854,1040 2.925,1041 2.687,1042 2.735,1043 4.726,1044 2.715,1045 2.854,1046 2.925,1047 2.687,1048 2.735,1049 4.707,1050 2.715,1051 0.18,1052 0.174,1053 0.271,1054 0.16,1055 0.126,1056 4.855,1057 0.174,1058 4.688,1059 0.078,1060 7.312,1061 0.464,1062 4.323,1063 0.115,1064 3.402,1065 4.699,1066 2.104,1067 12.526,1068 3.11,1069 1.966,1070 1.974,1071 1.999,1072 2.049,1073 1.213,1074 2.088,1075 1.948,1076 1.954,1077 1.995,1078 2.01,1079 1.152,1080 2.051,1081 1.664,1082 1.631,1083 1.793,1084 1.862,1085 1.032,1086 1.86,1087 1.44,1088 1.473,1089 1.296,1090 1.619,1091 0.607,1092 1.654,1093 1.29,1094 1.318,1095 1.181,1096 1.533,1097 0.486,1098 1.525,1099 0.938,1100 0.873,1101 1.181,1102 1.284,1103 0.218,1104 1.289,1105 0.886,1106 0.821,1107 1.16,1108 1.062,1109 0.218,1110 1.107,1111 0.886,1112 0.821,1113 1.104,1114 1.062,1115 0.173,1116 1.107,1117 4.007,1118 5.333,1120 6.855,1122 8.456,1124 10.096,1129 8.807,1130 -0.602,1131 5.51,1134 -1.566,1139 28.415,1140 82.974,1141 143.381,1142 160.6,1143 179.82,1144 191.329,1145 195.329,1146 100.81,1147 6.409,1148 141.67,1149 158.43,1150 12,1151 12.286,1152 4.17,1153 3.585,1154 54.711,1155 91,1156 92,1157 0.283,1158 185.999,1159 325.82,1160 445.598,1161 4202,1163 19.209,1164 0.739,1165 0.577,1166 19.709,1167 14.996,1168 12.26,1169 0.454,1170 0.381,1171 7.446,1172 10.14,1173 7.089,1174 5.888,1175 13.902,1176 10.288,1177 11.535,1178 0.304,1179 0.227,1180 14.159,1181 8.609,1182 8.817,1183 0.196,1184 0.139,1185 10.999,1186 6.236,1187 6.293,1188 0.126,1189 0.086,1190 8.232,1191 4.281,1192 4.867,1193 0.084,1194 0.051,1195 6.667,1196 2.965,1197 0.439,1198 94.632,1199 0.243,1200 24.995,1201 0.794,1202 130,1203 515.547,1204 220.525,1205 529.2,1206 681.4,1207 476,1208 148,1209 420.777,1210 253.441,1211 492.689,1212 704.99,1213 458,1214 6.449} {0 CHEMBL497761,1 1.898,2 12.667,3 0.396,4 0.157,5 106.674,6 9.011,7 0.387,8 4.053,9 4.124,10 3.995,11 3.559,12 5.25,13 3.533,14 4.574,15 4.689,16 4.209,17 3.896,18 6.111,19 3.868,20 4.783,21 4.912,22 4.311,23 4.061,24 6.192,25 4.001,26 4.927,27 5.073,28 4.287,29 4.04,30 6.326,31 3.989,32 4.934,33 5.12,34 4.31,35 3.964,36 6.42,37 3.907,38 4.805,39 4.969,40 4.352,41 3.899,42 6.43,43 3.851,44 4.743,45 4.874,46 4.218,47 3.859,48 6.531,49 3.849,50 4.768,51 4.934,52 4.006,53 3.791,54 6.217,55 3.769,56 0.312,57 0.771,58 13.228,59 5.256,60 43.991,61 5.133,62 0.922,63 1.121,64 21.091,65 8.358,66 115.05,67 8.489,68 0.981,69 1.368,70 31.806,71 11.404,72 131.915,73 11.126,74 1.343,75 1.45,76 39.032,77 11.099,78 186.126,79 11.057,80 1.553,81 1.362,82 43.183,83 11.192,84 240.118,85 12.232,86 1.548,87 1.214,88 35.693,89 10.425,90 243.96,91 11.569,92 1.297,93 1.189,94 31.481,95 9.484,96 230.393,97 9.576,98 1.259,99 1.135,100 31.724,101 8.731,102 162.552,103 8.527,104 75,105 44,106 0.318,107 0.617,108 0.695,109 0.734,110 0.754,111 0.767,112 3.44,113 1.097,114 -1.12,115 -1.22,116 -1.3,117 33.3,121 2,122 1,123 1,128 8,130 4,136 1,145 1,147 4,149 2,150 4,152 5,154 4,158 12,159 2,160 2,161 4,163 4,166 8,167 1,168 2,169 4,173 2,176 6,177 1,181 6,182 2,184 6,186 6,191 4,192 4,193 2,195 10,200 10,205 6,209 1,210 8,213 3,215 2,216 4,219 1664,220 19.452,221 19.452,222 19.452,223 19.452,224 19.452,225 17.349,226 19.913,227 11.07,228 20.188,229 15.011,230 15.011,231 15.011,232 15.011,233 15.011,234 11.505,235 16.503,236 4.929,237 15.973,238 3.774,239 1.986,240 1.52,241 1.285,242 1.167,243 1.088,244 4.097,246 1,247 1,248 772,249 5.099,251 247.201,255 1.778,256 65.182,258 0.75,259 0.5,260 0.67,261 0.5,263 0.67,264 0.5,265 0.51,266 69.5,267 380,268 4.857,269 4.688,270 7.312,271 4.325,272 3.404,273 4.702,274 2.104,275 12.528,276 3.113,277 4.842,278 4.683,279 7.293,280 4.287,281 3.37,282 4.696,283 0.86,284 12.405,285 3.059,286 3.929,287 3.931,288 6.002,289 3.686,290 2.698,291 3.437,292 0.86,293 8.419,294 2.648,295 3.883,296 3.19,297 5.346,298 3.432,299 2.482,300 3.431,301 0.677,302 6.908,303 2.355,304 3.845,305 2.812,306 5.341,307 3.418,308 2.467,309 3.057,311 6.892,312 2.342,313 3.128,314 2.812,315 4.821,316 2.68,317 1.713,318 2.342,320 4.956,321 1.642,322 3.12,323 2.233,324 4.812,325 2.64,326 1.673,327 2.334,329 4.922,330 1.607,331 2.634,332 1.869,333 4.084,334 2.365,335 1.387,336 1.585,338 3.434,339 1.347,340 2.5,341 1.703,342 3.414,343 2,344 1,345 1.5,347 2.275,348 1,349 2.5,350 1.186,351 3.414,352 2,353 1,354 1.5,356 2.275,357 1,358 1.679,359 1.08,360 3.404,361 1.491,362 0.581,363 0.619,365 1.266,366 0.522,367 1.653,368 1,369 3.104,370 1.357,371 0.494,372 0.552,374 0.75,375 0.422,376 1.625,377 1,378 2.832,379 1.335,380 0.444,381 0.499,383 0.709,384 0.393,385 1.455,386 0.831,387 2.72,388 1.175,389 0.142,390 0.168,392 0.202,393 0.146,394 1,395 0.326,396 2.454,397 0.421,398 -0.518,399 -0.603,401 -1.037,402 -0.468,403 14.033,404 0.468,405 0.962,406 0.032,407 39.25,408 1.308,409 20.5,410 0.683,411 18.75,412 0.625,413 23.368,414 0.779,415 35.167,416 0.69,417 36.761,418 1.225,419 8.06,420 0.269,421 6.064,422 0.202,423 0.214,424 0.119,425 0.214,428 0.651,429 1.417,430 0.854,431 1.408,432 0.727,433 0.99,434 0.843,435 1.005,436 0.91,437 0.916,438 0.63,439 0.881,440 0.995,441 1.199,442 1.255,443 1.268,444 0.923,445 1.09,446 1.339,447 1.193,448 1.363,449 1.248,450 1.473,451 1.171,452 0.949,453 0.941,454 0.895,455 0.938,456 1.249,457 0.951,458 0.552,459 1.013,460 0.794,461 1.033,462 0.842,463 0.894,464 0.992,465 1.29,466 1.175,467 1.221,468 0.926,469 1.034,470 1.602,471 0.923,472 1.218,473 0.889,474 1.579,475 0.941,476 9,477 0.202,478 5.111,479 2.25,480 1.804,481 1.611,482 0.917,483 0.505,484 0.485,485 0.286,486 10643,487 42436,488 1.888,489 41.2,491 17,494 4,498 1.731,499 1.714,500 3.572,501 1.796,503 1,506 96.813,507 1.898,508 3.686,509 4.153,510 4.388,511 4.506,512 4.584,513 3.027,514 4.415,515 4.875,516 3.725,517 1620.21,518 8.521,519 22809.8,523 289.294,524 1.746,525 4.784,526 0.29,527 0.008,528 0.116,529 0.048,530 0.043,531 0.04,532 0.022,533 0.012,534 0.014,535 0.009,536 0.603,537 0.17,538 0.88,539 1.168,540 154.886,541 0.038,542 -0.095,543 0.24,544 -0.091,545 -0.151,546 0.036,547 0.072,548 0.133,549 0.019,550 0.131,551 0.172,552 0.071,553 -0.108,554 -0.069,555 -0.142,556 -0.084,557 -0.016,558 -0.083,559 -0.297,560 -0.131,561 -0.266,562 -0.166,563 -0.279,564 -0.22,565 0.062,566 0.024,567 0.122,568 0.016,569 -0.053,570 0.015,571 0.464,572 -0.034,573 0.298,574 0.019,575 0.265,576 0.105,577 0.085,578 -0.238,579 -0.102,580 -0.153,581 0.328,582 -0.088,583 -0.45,584 0.055,585 -0.234,586 0.035,587 -0.304,588 -0.036,589 5.126,590 5.523,591 0.4,592 29.724,593 1.04,594 1.132,595 -0.107,596 0.011,597 0.663,598 3.466,599 3.807,600 3.989,601 4.078,602 4.263,603 4.344,604 4.317,605 4.007,606 4.111,607 4.143,608 7.089,609 0.645,610 459.55,611 3.466,612 5.017,613 5.844,614 6.718,615 7.566,616 8.444,617 9.299,618 10.178,619 11.038,620 11.918,621 5.9,622 2,624 1,629 8,632 4,634 12,639 2,641 51,642 17,643 2,644 31,645 52,646 17,647 12,648 4,649 8,651 2,652 2,657 1,659 13,660 4,662 5,664 2,665 5,666 1,668 1,670 21,671 11,672 4,673 13,674 2,677 3,678 1,679 8,686 2,696 1,700 1,702 2,704 2,705 2,708 30,711 2,712 1,713 1,714 3,715 2,717 1,724 15.7,725 1,727 5,729 2,731 17.5,732 9.2,733 6.778,734 2.418,735 1.854,736 1.274,737 0.921,738 8.197,739 8.626,740 3.761,741 4.382,742 4.783,743 5.163,744 5.639,745 5.83,746 5.94,747 5.278,748 5.587,749 5.815,750 0.889,751 47,752 11.838,753 5.762,754 8.45,755 19.98,756 15.967,757 2.95,758 88.5,760 200.109,761 129.59,762 47.283,763 178.576,765 11.615,766 117.975,767 378.685,768 47.283,769 21.766,770 16.578,771 163.041,772 118.475,773 35.588,775 200.109,777 200.109,778 165.257,779 178.576,780 11.615,782 200.109,783 135.771,784 42.806,785 49.388,786 115.869,787 11.615,789 200.109,790 225.859,791 129.59,793 11.615,794 200.109,795 20.399,796 97.576,797 47.283,798 178.576,799 200.109,800 225.859,801 129.59,803 0.588,804 0.343,805 0.151,806 0.081,807 18,808 10,809 0.192,810 10,812 1,813 3.923,814 249.676,816 12,817 135.207,819 2,820 24.078,821 10.213,822 6.399,824 225.859,825 10.725,828 0.561,830 90.088,831 555.557,832 42,834 -8.28,835 61.777,836 -1.149,837 53.029,838 57.747,839 0.335,840 0.65,841 0.732,842 0.774,843 0.794,844 0.808,845 5.011,846 1.387,847 5.905,848 4.922,849 4.489,850 5.069,851 2.549,852 6.781,853 4.371,854 6.279,855 1,856 7.534,857 3.434,858 4.443,859 5.38,860 1.593,861 8.199,862 4.221,863 7.668,864 1,865 9.285,866 2.275,867 6.248,868 7.465,869 3.447,870 11.155,871 5.978,872 9.103,873 0.581,874 11.109,875 2.275,876 6.976,877 8.546,878 3.395,879 13.331,880 6.578,881 10.574,882 0.494,883 12.98,884 1.266,885 8.358,886 10.245,887 4.686,888 15.961,889 7.907,890 12.069,891 0.444,892 14.882,893 0.75,894 9.381,895 11.607,896 5.041,897 18.373,898 8.8,899 13.582,900 0.142,901 16.807,902 0.709,903 10.637,904 13.199,905 6.067,906 20.925,907 9.987,908 3.404,909 -0.518,910 18.747,911 0.202,912 11.774,913 14.669,914 6.606,915 23.412,916 11.005,917 3.37,918 12.528,919 20.699,920 -1.037,921 12.995,922 16.228,923 7.502,924 25.943,925 12.143,926 2.698,927 12.405,928 22.66,929 4.702,930 14.178,931 17.742,932 8.134,933 28.453,934 13.215,935 2.482,936 8.419,937 24.627,938 4.696,939 15.392,940 19.292,941 8.962,942 30.978,943 14.339,944 2.467,945 6.908,946 26.599,947 3.437,948 16.594,949 20.824,950 9.643,951 33.497,952 15.436,953 1.713,954 6.892,955 28.575,956 3.431,957 17.808,958 22.371,959 10.434,960 36.021,961 16.556,962 1.673,963 4.956,964 30.553,965 3.057,966 19.019,967 23.912,968 11.143,969 38.543,970 17.667,971 10862,972 21896,973 19.068,974 33.801,975 45.365,976 50.845,977 48.563,978 45.739,979 45.709,980 60.843,981 9.002,982 135.88,983 43.19,984 5.795,985 6.688,986 6.862,987 5.399,988 5.404,989 7.702,990 3.694,991 19.918,992 5.113,993 20.156,994 1.463,995 1.64,996 1.567,997 1.475,998 1.474,999 1.963,1000 0.29,1001 4.383,1002 1.393,1003 4.106,1004 4.086,1005 4.75,1006 4.083,1007 7.721,1008 3.994,1009 4.039,1010 4.012,1011 4.72,1012 4.032,1013 7.713,1014 3.943,1015 3.748,1016 3.778,1017 3.734,1018 3.611,1019 7.431,1020 3.594,1021 3.643,1022 3.621,1023 3.713,1024 3.539,1025 6.999,1026 3.473,1027 3.513,1028 3.496,1029 3.557,1030 3.328,1031 6.999,1032 3.307,1033 3.206,1034 3.279,1035 3.02,1036 2.913,1037 6.493,1038 2.917,1039 3.189,1040 3.259,1041 3,1042 2.907,1043 4.86,1044 2.903,1045 3.068,1046 3.121,1047 2.949,1048 2.735,1049 4.838,1050 2.754,1051 0.157,1052 0.151,1053 0.236,1054 0.14,1055 0.11,1056 4.857,1057 0.152,1058 4.688,1059 0.068,1060 7.312,1061 0.404,1062 4.325,1063 0.1,1064 3.404,1065 4.702,1066 2.104,1067 12.528,1068 3.113,1069 1.963,1070 1.974,1071 1.975,1072 2.051,1073 1.215,1074 2.085,1075 1.943,1076 1.954,1077 1.97,1078 2.015,1079 1.154,1080 2.048,1081 1.664,1082 1.635,1083 1.791,1084 1.87,1085 1.032,1086 1.861,1087 1.45,1088 1.486,1089 1.569,1090 1.656,1091 0.631,1092 1.679,1093 1.315,1094 1.334,1095 1.567,1096 1.582,1097 0.592,1098 1.578,1099 1.15,1100 1.071,1101 1.284,1102 1.472,1103 0.526,1104 1.485,1105 1.129,1106 1.06,1107 1.181,1108 1.431,1109 0.431,1110 1.451,1111 0.92,1112 0.858,1113 1.181,1114 1.255,1115 0.218,1116 1.269,1117 4.143,1118 5.476,1120 7.004,1122 8.607,1124 10.249,1125 2.84,1129 8.903,1130 -0.657,1131 5.497,1132 9.911,1134 -1.63,1139 32.898,1140 96.813,1141 188.009,1142 211.784,1143 223.784,1144 229.784,1145 233.784,1146 127.067,1147 6.772,1148 160.13,1149 176.89,1150 12,1151 12.458,1152 4.17,1153 3.585,1154 69.11,1155 123,1156 146,1157 0.264,1158 213.176,1159 378,1160 511.91,1161 6890,1163 22.364,1164 0.745,1165 0.589,1166 22.864,1167 17.658,1168 14.124,1169 0.456,1170 0.366,1171 8.409,1172 11.689,1173 7.96,1174 6.638,1175 15.766,1176 11.334,1177 13.117,1178 0.298,1179 0.212,1180 15.741,1181 9.334,1182 10.455,1183 0.197,1184 0.13,1185 12.637,1186 6.868,1187 7.229,1188 0.125,1189 0.078,1190 9.131,1191 4.55,1192 5.427,1193 0.078,1194 0.045,1195 7.217,1196 3.175,1197 0.417,1198 108.045,1199 0.229,1200 28.445,1201 0.721,1202 150,1203 627.018,1204 246.282,1205 621.803,1206 802.1,1207 564,1208 172,1209 501.868,1210 282.756,1211 573.765,1212 819.99,1213 530,1214 6.475} {0 CHEMBL497762,1 2.064,2 12.938,3 0.218,4 0.047,5 108.397,6 10.415,7 0.364,8 4.009,9 4.07,10 4.044,11 3.509,12 5.373,13 3.511,14 4.503,15 4.578,16 4.287,17 3.876,18 6.309,19 3.878,20 4.78,21 4.906,22 4.381,23 4.032,24 6.322,25 4.008,26 4.931,27 5.064,28 4.364,29 3.958,30 6.504,31 3.973,32 4.837,33 4.978,34 4.336,35 3.842,36 6.497,37 3.853,38 4.683,39 4.806,40 4.439,41 3.819,42 6.346,43 3.825,44 4.793,45 4.906,46 4.369,47 3.781,48 6.975,49 3.851,50 4.621,51 4.778,52 4.027,53 3.72,54 6.107,55 3.717,56 0.411,57 0.768,58 8.328,59 4.438,60 82.292,61 3.512,62 0.999,63 1.116,64 11.374,65 7.386,66 191.532,67 6.333,68 1.306,69 1.361,70 26.785,71 10.621,72 243.16,73 9.221,74 1.912,75 1.335,76 35.103,77 10.165,78 365.785,79 7.679,80 1.911,81 1.171,82 34.215,83 9.196,84 370.291,85 7.567,86 1.324,87 1.111,88 27.608,89 9.103,90 304.453,91 8.268,92 2.045,93 1.1,94 21.77,95 7.867,96 427.869,97 7.728,98 1.3,99 1.018,100 24.157,101 7.923,102 225.98,103 7.062,104 111,105 48,106 0.345,107 0.632,108 0.687,109 0.73,110 0.751,111 0.766,112 3.502,113 1.026,114 -1.99,115 -2.04,116 -2.04,117 31.9,122 1,123 1,128 8,130 4,136 1,143 4,145 1,147 4,149 4,150 4,152 5,154 4,158 20,159 2,160 2,161 4,163 4,166 16,167 1,168 2,169 4,173 2,176 6,177 1,181 6,182 2,184 6,186 6,191 12,192 4,193 6,195 10,200 10,205 6,209 1,210 8,213 3,215 2,216 4,219 1984,220 20.126,221 20.126,222 20.126,223 20.126,224 20.126,225 17.414,226 21.193,227 11.344,228 20.617,229 16.091,230 16.091,231 16.091,232 16.091,233 16.091,234 11.8,235 17.488,236 5.169,237 16.832,238 3.49,239 1.777,240 1.447,241 1.191,242 1.064,243 0.979,244 4.156,247 1,248 838,249 5.477,251 266.141,255 1.938,256 87.972,258 0.75,259 0.5,260 0.67,261 0.3,263 0.67,264 0.5,265 0.48,266 76.5,267 414,268 4.858,269 4.688,270 7.312,271 4.326,272 3.405,273 4.704,274 2.612,275 12.528,276 3.115,277 4.843,278 4.683,279 7.293,280 4.288,281 3.371,282 4.697,283 2.612,284 12.406,285 3.062,286 4.218,287 3.931,288 6.005,289 3.725,290 2.747,291 3.896,292 2.104,293 8.435,294 2.683,295 4.216,296 3.777,297 5.916,298 3.687,299 2.718,300 3.895,301 0.677,302 8.157,303 2.629,304 3.893,305 3.777,306 5.911,307 3.637,308 2.657,309 3.075,311 8.133,312 2.586,313 3.43,314 3.19,315 4.894,316 2.834,317 1.845,318 2.836,320 5.193,321 1.821,322 3.422,323 2.286,324 4.881,325 2.814,326 1.822,327 2.819,329 5.152,330 1.804,331 2.81,332 2.201,333 4.107,334 2.412,335 1.433,336 1.854,338 3.483,339 1.392,340 2.794,341 2.103,342 3.812,343 2.131,344 1.14,345 1.837,347 2.8,348 1.126,349 2.622,350 1.68,351 3.764,352 2.099,353 1.103,354 1.568,356 2.74,357 1.096,358 2.5,359 1.51,360 3.414,361 2,362 1,363 1.5,365 2.275,366 1,367 2.5,368 1,369 3.414,370 2,371 1,372 1.5,374 2.275,375 1,376 1.65,377 1,378 3.33,379 1.462,380 0.52,381 0.562,383 1.206,384 0.487,385 1.456,386 1,387 3.002,388 1.181,389 0.145,390 0.17,392 0.205,393 0.148,394 1,395 1,396 2.646,397 0.485,398 -0.475,399 -0.595,401 -1.157,402 -0.446,403 14.5,404 0.453,405 1.217,406 0.038,407 45.75,408 1.43,409 25.5,410 0.797,411 20.25,412 0.633,413 22.523,414 0.704,415 37.1,416 0.789,417 44.271,418 1.383,419 9.143,420 0.286,421 5.726,422 0.179,423 0.23,424 0.115,425 0.262,428 0.46,429 1.248,430 0.824,431 1.288,432 0.676,433 0.88,434 0.557,435 1.191,436 0.896,437 1.066,438 0.531,439 1.054,440 0.876,441 1.237,442 1.259,443 1.314,444 0.76,445 1.16,446 1.432,447 1.079,448 1.445,449 1.188,450 1.343,451 1.134,452 1.23,453 0.885,454 1.088,455 0.898,456 1.274,457 0.968,458 0.608,459 1.134,460 0.92,461 1.362,462 0.833,463 1.075,464 0.649,465 0.942,466 0.718,467 0.777,468 0.566,469 0.923,470 1.161,471 1.071,472 1.16,473 1.042,474 0.966,475 1.044,476 10,477 0.252,478 6,479 2.75,480 1.884,481 1.736,482 1.162,483 0.536,484 0.509,485 0.366,486 12765,487 66518,488 1.861,489 31.9,491 11,494 4,498 1.746,499 1.67,500 3.618,501 1.849,503 1,506 97.03,507 2.064,508 3.778,509 4.108,510 4.363,511 4.491,512 4.576,513 3.05,514 4.289,515 4.968,516 3.815,517 1892.11,518 8.702,519 28126.2,523 261.066,524 1.805,525 4.862,526 0.303,527 0.008,528 0.125,529 0.054,530 0.041,531 0.041,532 0.026,533 0.011,534 0.014,535 0.011,536 0.635,537 0.17,538 0.75,539 1.157,540 169.174,541 0.167,542 0.11,543 0.206,544 0.024,545 -0.086,546 0.081,547 0.199,548 -0.003,549 -0.053,550 0.011,551 0.217,552 -0.112,553 -0.094,554 -0.13,555 -0.149,556 -0.135,557 0.007,558 -0.094,559 -0.432,560 -0.099,561 -0.309,562 -0.109,563 -0.315,564 -0.13,565 -0.187,566 0.032,567 -0.005,568 0.095,569 -0.219,570 0.044,571 0.289,572 -0.096,573 0.287,574 -0.173,575 0.048,576 0.003,577 0.419,578 -0.035,579 0.14,580 0.054,581 0.507,582 0.004,583 -0.278,584 -0.1,585 -0.121,586 -0.039,587 -0.139,588 0.019,589 5.376,590 5.456,591 0.375,592 34.5,593 1.071,594 1.138,595 0.762,596 0.581,597 0.674,598 3.526,599 3.892,600 4.06,601 4.143,602 4.317,603 4.443,604 4.511,605 4.078,606 4.205,607 4.29,608 7.536,609 0.686,610 489.49,611 3.526,612 5.094,613 5.922,614 6.801,615 7.651,616 8.532,617 9.39,618 10.27,619 11.133,620 12.013,621 10.6,622 2,624 1,627 2,629 8,632 4,634 12,638 2,641 47,642 21,643 2,644 33,645 48,646 15,647 12,648 4,649 8,651 2,652 2,657 1,659 13,660 2,662 9,663 2,664 2,665 9,666 1,670 15,671 13,672 4,673 17,674 2,677 5,678 1,679 10,686 2,696 1,700 1,702 2,704 2,708 32,711 2,712 1,713 1,714 3,717 1,724 21.3,725 1,727 5,730 4,731 19.167,732 7.933,733 7,734 2.235,735 2.199,736 1.317,737 0.917,738 7.979,739 9.127,740 3.892,741 4.543,742 4.924,743 5.307,744 5.773,745 6.09,746 6.512,747 5.466,748 5.792,749 6.124,750 0.889,751 51,752 12.786,753 6.59,754 8.922,755 20.423,756 16.548,757 3.422,758 109.5,760 129.482,761 102.85,762 58.623,763 258.07,765 11.615,766 91.235,767 387.552,768 58.623,769 11.34,770 16.578,771 163.041,772 118.475,773 8.615,775 129.482,776 101.494,777 129.482,778 149.858,779 258.07,780 11.615,782 129.482,783 113.771,784 144.299,785 49.388,786 89.13,787 22.955,789 129.482,790 316.693,791 102.85,793 11.615,794 129.482,795 15.425,796 87.15,797 47.283,798 258.07,799 129.482,800 316.693,801 102.85,803 0.601,804 0.34,805 0.145,806 0.076,807 20,808 12,809 0.208,810 10,812 1,813 4.041,814 273.902,816 12,817 144,819 2,820 25.288,821 10.097,822 6.513,824 305.353,825 7.351,828 -1.608,830 90.088,831 549.025,832 48,833 -1.489,834 -8.778,835 104.137,836 -1.304,837 50.353,838 53.502,839 0.372,840 0.68,841 0.74,842 0.785,843 0.808,844 0.824,845 5.147,846 1.433,847 5.999,848 5.152,849 4.575,850 5.231,851 3.473,852 6.88,853 4.484,854 6.435,855 1.14,856 7.636,857 3.483,858 4.575,859 5.58,860 3.183,861 8.278,862 4.383,863 7.83,864 1.103,865 9.391,866 2.8,867 6.337,868 7.635,869 5.041,870 11.237,871 6.105,872 9.265,873 1,874 11.214,875 2.74,876 7.083,877 8.726,878 5.342,879 13.386,880 6.729,881 10.732,882 1,883 13.082,884 2.275,885 8.446,886 10.402,887 6.769,888 16.01,889 8.041,890 12.222,891 0.52,892 14.978,893 2.275,894 9.469,895 11.76,896 7.352,897 18.406,898 8.942,899 13.728,900 0.145,901 16.894,902 1.206,903 10.714,904 13.332,905 8.572,906 20.95,907 10.118,908 3.405,909 -0.475,910 18.826,911 0.205,912 11.845,913 14.791,914 9.31,915 23.428,916 11.132,917 3.371,918 12.528,919 20.769,920 -1.157,921 13.057,922 16.335,923 10.419,924 25.955,925 12.261,926 2.747,927 12.406,928 22.721,929 4.704,930 14.232,931 17.837,932 11.247,933 28.461,934 13.326,935 2.718,936 8.435,937 24.68,938 4.697,939 15.439,940 19.375,941 12.293,942 30.984,943 14.44,944 2.657,945 8.157,946 26.644,947 3.896,948 16.635,949 20.897,950 13.175,951 33.501,952 15.53,953 1.845,954 8.133,955 28.613,956 3.895,957 17.843,958 22.434,959 14.184,960 36.024,961 16.642,962 1.822,963 5.193,964 30.585,965 3.075,966 19.049,967 23.967,968 15.098,969 38.545,970 17.745,971 13050,972 29980,973 19.879,974 31.676,975 49.695,976 55.954,977 52.655,978 49.956,979 49.814,980 69.825,981 16.012,982 149.978,983 47.9,984 5.796,985 6.688,986 6.856,987 5.401,988 5.405,989 7.704,990 4.612,991 19.922,992 5.115,993 23.802,994 1.506,995 1.696,996 1.596,997 1.514,998 1.51,999 2.116,1000 0.485,1001 4.545,1002 1.452,1003 4.125,1004 4.113,1005 4.75,1006 4.089,1007 7.819,1008 4.008,1009 4.064,1010 4.052,1011 4.72,1012 4.039,1013 7.812,1014 3.958,1015 3.836,1016 3.853,1017 3.886,1018 3.646,1019 7.72,1020 3.631,1021 3.773,1022 3.748,1023 3.869,1024 3.586,1025 7.713,1026 3.537,1027 3.578,1028 3.583,1029 3.567,1030 3.345,1031 7.431,1032 3.346,1033 3.337,1034 3.357,1035 3.337,1036 2.901,1037 6.999,1038 2.998,1039 3.31,1040 3.315,1041 3.331,1042 2.879,1043 6.999,1044 2.972,1045 3.065,1046 3.103,1047 2.965,1048 2.735,1049 6.999,1050 2.74,1051 0.147,1052 0.142,1053 0.222,1054 0.131,1055 0.103,1056 4.858,1057 0.143,1058 4.688,1059 0.079,1060 7.312,1061 0.38,1062 4.326,1063 0.094,1064 3.405,1065 4.704,1066 2.612,1067 12.528,1068 3.115,1069 1.98,1070 1.986,1071 1.996,1072 2.105,1073 1.22,1074 2.108,1075 1.965,1076 1.969,1077 1.992,1078 2.093,1079 1.166,1080 2.084,1081 1.684,1082 1.659,1083 1.793,1084 1.933,1085 1.041,1086 1.905,1087 1.5,1088 1.534,1089 1.314,1090 1.783,1091 0.617,1092 1.754,1093 1.355,1094 1.368,1095 1.249,1096 1.687,1097 0.494,1098 1.623,1099 1.061,1100 1.031,1101 1.21,1102 1.499,1103 0.218,1104 1.432,1105 1.007,1106 1,1107 1.181,1108 1.427,1109 0.218,1110 1.378,1111 0.886,1112 0.831,1113 1.181,1114 1.229,1115 0.17,1116 1.228,1117 4.205,1118 5.557,1120 7.091,1122 8.697,1124 10.341,1129 8.849,1130 -0.849,1131 5.017,1134 -1.826,1139 32.263,1140 97.03,1141 177.556,1142 193.066,1143 205.066,1144 211.066,1145 215.066,1146 176.052,1147 6.929,1148 233.31,1149 250.07,1150 12,1151 12.553,1152 4.459,1153 4,1154 76.846,1155 140,1156 148,1157 0.258,1158 209.718,1159 377.7,1160 503.472,1161 8504,1163 24.104,1164 0.753,1165 0.543,1166 24.604,1167 17.369,1168 14.869,1169 0.451,1170 0.342,1171 8.358,1172 12.251,1173 8.044,1174 6.638,1175 16.511,1176 11.287,1177 14.577,1178 0.304,1179 0.198,1180 17.201,1181 9.485,1182 11.036,1183 0.194,1184 0.12,1185 13.218,1186 6.844,1187 7.66,1188 0.124,1189 0.073,1190 9.561,1191 4.534,1192 5.62,1193 0.076,1194 0.043,1195 7.389,1196 3.184,1197 0.41,1198 114.084,1199 0.224,1200 30.065,1201 0.699,1202 162,1203 777.779,1204 264.878,1205 765.495,1206 966.54,1207 684,1208 186,1209 623.507,1210 303.079,1211 680.711,1212 969.03,1213 630,1214 4.658} {0 CHEMBL497961,1 2.136,2 11.357,3 1.586,4 2.514,5 118.564,6 15.146,7 0.414,8 3.884,9 3.943,10 4.243,11 3.614,12 5.075,13 3.495,14 4.393,15 4.479,16 4.62,17 4.019,18 6.006,19 3.866,20 4.676,21 4.806,22 4.701,23 4.19,24 6.101,25 3.979,26 4.762,27 4.901,28 4.488,29 4.022,30 6.216,31 3.88,32 4.705,33 4.852,34 4.79,35 3.939,36 6.33,37 3.801,38 4.618,39 4.746,40 4.959,41 3.911,42 6.308,43 3.83,44 4.603,45 4.75,46 4.368,47 3.865,48 6.41,49 3.758,50 4.504,51 4.662,52 4.393,53 3.887,54 5.946,55 3.705,56 0.246,57 0.677,58 11.114,59 4.728,60 45.752,61 3.351,62 0.654,63 1.043,64 25.415,65 7.627,66 101.236,67 6.446,68 0.817,69 1.374,70 91.179,71 15.978,72 139.122,73 11.012,74 1.161,75 1.417,76 82.076,77 16.561,78 196.297,79 8.804,80 1.358,81 1.268,82 60.408,83 15.126,84 230.415,85 7.798,86 1.052,87 1.181,88 38.313,89 13.887,90 210.782,91 8.067,92 1.155,93 1.127,94 57.597,95 11.555,96 224.024,97 8.601,98 0.742,99 1.082,100 72.095,101 12.93,102 102.374,103 8.456,104 67,105 42,106 0.37,107 0.635,108 0.697,109 0.745,110 0.77,111 0.786,112 3.374,113 1.308,114 -3.05,115 -3.05,116 -2.93,117 34.9,122 1,123 1,128 8,130 4,136 1,145 1,147 4,149 2,152 5,154 8,158 8,159 2,160 2,161 4,163 8,166 8,167 1,168 2,169 4,173 2,176 6,177 1,181 2,182 6,184 4,186 8,191 4,192 4,193 2,195 10,200 10,205 6,210 9,215 5,216 4,219 1352,220 17.712,221 17.712,222 17.712,223 17.712,224 17.712,225 15.504,226 14.808,227 10.073,228 18.541,229 14.155,230 14.155,231 14.155,232 14.155,233 14.155,234 10.659,235 8.751,236 4.651,237 15.66,238 3.29,239 1.756,240 1.395,241 1.116,242 0.977,243 0.884,244 4.028,247 1,248 648,249 4.899,251 228.261,255 1.551,256 58.638,258 0.75,259 0.67,260 0.83,261 0.3,263 0.67,264 0.5,265 0.53,266 62.3,267 318,268 4.857,269 4.688,270 7.312,271 4.324,272 3.404,273 4.702,274 2.104,275 12.528,276 3.111,277 4.842,278 4.683,279 7.293,280 4.286,281 3.37,282 4.695,283 0.677,284 12.405,285 3.056,286 3.915,287 3.931,288 6.001,289 3.682,290 2.696,291 3.4,293 8.418,294 2.642,295 3.834,296 3.19,297 5.148,298 3.278,299 2.399,300 3.393,302 6.32,303 2.058,304 3.81,305 2.777,306 5.139,307 3.264,308 2.384,309 3.056,311 6.297,312 2.044,313 3.084,314 2.777,315 4.734,316 2.593,317 1.667,318 2.29,320 4.764,321 1.44,322 3.075,323 2.229,324 4.727,325 2.531,326 1.616,327 2.282,329 4.734,330 1.278,331 2.632,332 1.836,333 4.077,334 2.336,335 1.371,336 1.583,338 3.421,339 1.208,340 2.5,341 1.655,342 3.414,343 2,344 1,345 1.5,347 2.275,348 1,349 2.5,350 1,351 3.414,352 2,353 1,354 1.5,356 2.275,357 1,358 1.651,359 1,360 3.377,361 1.466,362 0.532,363 0.569,365 1.232,366 0.487,367 1.456,368 0.982,369 3.04,370 1.182,371 0.148,372 0.174,374 0.21,375 0.149,376 1.12,377 0.593,378 2.68,379 0.55,380 -0.21,381 -0.259,383 -0.463,384 -0.051,385 1.119,386 0.45,387 2.591,388 0.528,389 -0.229,390 -0.29,392 -0.503,393 -0.056,394 1,395 0.035,396 2.349,397 0.37,398 -0.621,399 -0.725,401 -1.943,402 -0.595,403 15.652,404 0.559,405 1.038,406 0.037,407 36.25,408 1.295,409 19.5,410 0.696,411 16.75,412 0.598,413 26.333,414 0.94,415 29.948,416 0.696,417 28.894,418 1.032,419 6.557,420 0.234,421 6.49,422 0.232,423 0.338,424 0.106,425 0.192,428 0.549,429 1.104,430 0.515,431 0.68,432 0.726,433 0.703,434 0.576,435 0.951,436 0.611,437 0.634,438 0.593,439 0.822,440 0.905,441 1.093,442 0.969,443 1.012,444 0.876,445 1.082,446 1.525,447 1.067,448 0.755,449 0.864,450 1.534,451 1.038,452 1.32,453 0.753,454 0.221,455 0.321,456 1.442,457 0.679,458 0.86,459 1.166,460 0.674,461 0.926,462 0.987,463 0.901,464 0.884,465 0.962,466 0.539,467 0.603,468 0.774,469 0.853,470 1.234,471 0.994,472 0.863,473 0.874,474 1.046,475 0.957,476 9,477 0.169,478 5.111,479 2.25,480 1.724,481 1.486,482 0.753,483 0.505,484 0.485,485 0.266,486 8657,487 42194,488 1.88,489 34.9,491 11,494 4,498 1.714,499 1.697,500 3.436,501 1.874,505 2,506 91.858,507 2.136,508 3.67,509 4.031,510 4.31,511 4.45,512 4.543,513 2.864,514 4.28,515 4.779,516 3.582,517 1354.11,518 8.33,519 17992.9,523 233.329,524 1.788,525 4.676,526 0.31,527 0.008,528 0.122,529 0.052,530 0.045,531 0.039,532 0.019,533 0.014,534 0.015,535 0.009,536 0.634,537 0.17,538 0.75,539 1.031,540 140.541,541 0.083,542 0.025,543 -0.004,544 -0.026,545 -0.15,546 0.065,547 0.227,548 0.102,549 -0.016,550 0.044,551 0.194,552 -0.041,553 -0.044,554 -0.067,555 -0.1,556 -0.087,557 -0.001,558 -0.118,559 -0.347,560 -0.058,561 -0.094,562 -0.076,563 -0.303,564 -0.154,565 -0.04,566 0.2,567 0.104,568 0.206,569 -0.123,570 0.118,571 0.245,572 -0.224,573 0.06,574 -0.119,575 0.144,576 0.015,577 0.216,578 -0.056,579 -0.009,580 0.026,581 0.328,582 -0.001,583 -0.246,584 -0.029,585 -0.068,586 -0.022,587 -0.1,588 -0.001,589 5.047,590 5.453,591 0.429,592 23.918,593 1.041,594 1.115,595 1.817,596 3.302,597 0.807,598 3.401,599 3.761,600 3.912,601 4.007,602 4.205,603 4.234,604 4.078,605 3.932,606 4.007,607 3.97,608 6.534,609 0.722,610 651.27,611 3.401,612 4.963,613 5.784,614 6.663,615 7.508,616 8.389,617 9.241,618 10.123,619 10.979,620 11.861,621 7,622 2,624 1,629 8,632 4,634 12,640 2,641 43,642 17,643 2,644 29,645 44,646 15,647 12,648 4,649 8,651 2,652 2,657 1,659 13,660 2,662 5,664 2,665 5,666 1,670 15,671 9,672 4,673 13,674 4,675 2,677 3,678 1,679 6,686 2,696 1,700 1,702 2,704 2,707 2,708 28,711 2,712 1,713 1,714 3,717 1,723 2,724 14,725 1,727 5,731 16.5,732 7.152,733 6.111,734 2.073,735 1.823,736 1.276,737 0.971,738 8.345,739 8.423,740 3.714,741 4.357,742 4.732,743 5.11,744 5.59,745 5.725,746 5.641,747 5.207,748 5.509,749 5.686,750 0.875,751 43,752 11.074,753 5.442,754 8.419,755 18.87,756 15.447,757 2.919,758 81.74,760 129.482,761 214.22,762 47.283,763 156.577,765 125.179,766 89.041,767 286.059,768 47.283,770 16.578,771 163.041,772 118.475,773 6.421,775 243.046,777 129.482,778 136.324,779 156.577,780 11.615,781 113.564,782 129.482,783 113.771,784 42.806,785 49.388,786 86.935,787 11.615,788 113.564,789 129.482,790 203.859,791 100.656,792 113.564,793 11.615,794 129.482,795 13.231,796 189.374,797 47.283,798 156.577,799 129.482,800 203.859,801 100.656,802 113.564,803 0.599,804 0.334,805 0.146,806 0.084,807 18,808 10,809 0.182,810 8,812 1,813 3.739,814 228.554,816 12,817 122.606,819 2,820 23.615,821 9.895,822 6.687,824 203.859,825 11.744,828 1.492,830 90.088,831 547.561,832 40,834 -8.121,835 61.446,836 -1.112,837 44.745,838 47.939,839 0.394,840 0.676,841 0.743,842 0.794,843 0.82,844 0.837,845 4.97,846 1.371,847 5.861,848 4.734,849 4.443,850 5.043,851 2.286,852 6.739,853 4.262,854 6.253,855 1,856 7.493,857 3.421,858 4.443,859 5.38,860 1.593,861 8.169,862 4.089,863 7.647,864 1,865 9.247,866 2.275,867 6.209,868 7.449,869 3.374,870 11.128,871 5.865,872 9.084,873 0.532,874 11.074,875 2.275,876 6.957,877 8.538,878 3.395,879 13.313,880 6.464,881 10.556,882 0.148,883 12.949,884 1.232,885 8.329,886 10.234,887 4.671,888 15.949,889 7.812,890 12.052,891 -0.21,892 14.856,893 0.21,894 9.362,895 11.6,896 5.041,897 18.366,898 8.714,899 13.566,900 -0.229,901 16.785,902 -0.463,903 10.617,904 13.191,905 6.064,906 20.92,907 9.915,908 3.404,909 -0.621,910 18.729,911 -0.503,912 11.759,913 14.663,914 6.606,915 23.409,916 10.942,917 3.37,918 12.528,919 20.685,920 -1.943,921 12.982,922 16.223,923 7.501,924 25.941,925 12.09,926 2.696,927 12.405,928 22.648,929 4.702,930 14.168,931 17.738,932 8.134,933 28.452,934 13.169,935 2.399,936 8.418,937 24.618,938 4.695,939 15.383,940 19.288,941 8.962,942 30.978,943 14.299,944 2.384,945 6.32,946 26.592,947 3.4,948 16.587,949 20.821,950 9.643,951 33.497,952 15.401,953 1.667,954 6.297,955 28.569,956 3.393,957 17.802,958 22.369,959 10.434,960 36.021,961 16.525,962 1.616,963 4.764,964 30.549,965 3.056,966 19.014,967 23.91,968 11.143,969 38.542,970 17.639,971 8822,972 19636,973 17.682,974 34.688,975 43.208,976 48.373,977 45.833,978 43.956,979 43.171,980 58.285,981 5.562,982 129.753,983 38.946,984 5.794,985 6.688,986 6.856,987 5.404,988 5.404,989 7.702,990 3.694,991 19.916,992 5.111,993 19.086,994 1.49,995 1.668,996 1.58,997 1.516,998 1.489,999 2.01,1000 0.192,1001 4.474,1002 1.343,1003 4.102,1004 4.081,1005 10.697,1006 4.137,1007 7.721,1008 4.002,1009 4.036,1010 4.008,1011 10.694,1012 4.096,1013 7.713,1014 3.954,1015 3.733,1016 3.768,1017 4.749,1018 3.831,1019 7.431,1020 3.61,1021 3.614,1022 3.594,1023 4.719,1024 3.794,1025 6.999,1026 3.495,1027 3.491,1028 3.468,1029 3.623,1030 3.4,1031 6.999,1032 3.313,1033 3.088,1034 3.143,1035 3.585,1036 3.128,1037 6.493,1038 2.796,1039 2.854,1040 2.925,1041 3.534,1042 3.086,1043 4.695,1044 2.715,1045 2.854,1046 2.925,1047 2.968,1048 2.735,1049 4.675,1050 2.715,1051 0.167,1052 0.162,1053 0.252,1054 0.149,1055 0.117,1056 4.857,1057 0.162,1058 4.688,1059 0.073,1060 7.312,1061 0.432,1062 4.324,1063 0.107,1064 3.404,1065 4.702,1066 2.104,1067 12.528,1068 3.111,1069 1.966,1070 1.977,1071 1.943,1072 2.036,1073 1.219,1074 2.078,1075 1.947,1076 1.957,1077 1.935,1078 1.987,1079 1.164,1080 2.037,1081 1.663,1082 1.634,1083 1.787,1084 1.843,1085 1.04,1086 1.844,1087 1.439,1088 1.48,1089 1.284,1090 1.594,1091 0.61,1092 1.629,1093 1.289,1094 1.322,1095 1.181,1096 1.513,1097 0.484,1098 1.509,1099 0.937,1100 0.875,1101 1.181,1102 1.266,1103 0.218,1104 1.278,1105 0.886,1106 0.821,1107 1.091,1108 1.062,1109 0.218,1110 1.107,1111 0.886,1112 0.821,1113 0.966,1114 1.062,1115 0.163,1116 1.107,1117 4.078,1118 5.425,1120 6.956,1122 8.56,1124 10.202,1127 4.026,1129 8.873,1130 -0.607,1131 5.574,1134 -1.576,1139 31.048,1140 91.858,1141 157.82,1142 173.329,1143 185.329,1144 191.329,1145 195.329,1146 115.29,1147 6.6,1148 141.67,1149 158.43,1150 12,1151 12.401,1152 4.17,1153 3.585,1154 61.727,1155 106,1156 118,1157 0.274,1158 221.169,1159 376.38,1160 531.412,1161 5416,1162 4.7,1163 20.949,1164 0.748,1165 0.711,1166 24.449,1167 19.912,1168 13.048,1169 0.45,1170 0.436,1171 7.779,1172 9.502,1173 7.276,1174 5.985,1175 16.422,1176 12.645,1177 12.779,1178 0.304,1179 0.271,1180 17.853,1181 11.382,1182 9.638,1183 0.197,1184 0.159,1185 13.553,1186 7.815,1187 6.608,1188 0.122,1189 0.092,1190 9.51,1191 4.987,1192 5.191,1193 0.079,1194 0.065,1195 8.487,1196 4.317,1197 0.429,1198 126.494,1199 0.238,1200 26.702,1201 0.759,1202 142,1203 558.844,1204 530.343,1205 653.385,1206 824.1,1207 588,1208 162,1209 463.396,1210 363.102,1211 565.709,1212 811.51,1213 526,1214 5.796} {0 CHEMBL521881,1 2.23,2 13.176,3 2.314,4 5.353,5 105.695,6 10.928,7 0.343,8 4.049,9 4.111,10 4.094,11 3.554,12 5.38,13 3.574,14 4.627,15 4.719,16 4.474,17 3.912,18 6.76,19 3.948,20 4.826,21 4.952,22 4.472,23 4.071,24 6.442,25 4.065,26 5.016,27 5.17,28 4.468,29 3.988,30 6.663,31 4.033,32 4.91,33 5.074,34 4.386,35 3.871,36 6.6,37 3.898,38 4.706,39 4.822,40 4.549,41 3.847,42 6.335,43 3.874,44 4.891,45 5.013,46 4.549,47 3.807,48 7.241,49 3.91,50 4.676,51 4.843,52 4.095,53 3.76,54 6.198,55 3.769,56 0.62,57 1.193,58 6.705,59 5.325,60 150.287,61 3.683,62 1.914,63 2.361,64 11.924,65 8.879,66 376.202,67 6.625,68 1.807,69 1.958,70 25.116,71 12.095,72 353.924,73 9.971,74 2.779,75 1.919,76 36.992,77 11.939,78 540.514,79 8.385,80 2.603,81 1.47,82 36.29,83 10.626,84 518.372,85 7.929,86 1.556,87 1.466,88 29.772,89 10.405,90 402.475,91 8.37,92 2.806,93 1.328,94 22.504,95 8.625,96 587.177,97 8.069,98 1.845,99 1.295,100 24.975,101 9.076,102 347.521,103 7.666,104 155,105 54,106 0.376,107 0.634,108 0.687,109 0.728,110 0.749,111 0.763,112 3.56,113 1.007,114 -3.27,115 -3.26,116 -3.13,117 34.7,122 1,123 1,125 2,128 8,129 2,130 2,136 1,145 1,147 8,149 2,152 5,154 8,158 8,159 2,160 2,161 4,163 4,166 8,167 1,168 2,169 4,173 2,174 4,176 6,177 1,178 2,181 2,182 2,184 4,186 6,191 4,192 4,193 2,195 10,200 11,205 9,210 9,215 4,216 4,219 2312,220 20.656,221 20.656,222 20.656,223 20.656,224 20.656,225 18.63,226 20.196,227 11.335,228 21.536,229 17.104,230 17.104,231 17.104,232 17.104,233 17.104,234 13.735,235 15.508,236 5.186,237 18.657,238 3.385,239 1.858,240 1.541,241 1.296,242 1.174,243 1.092,244 4.21,247 1,248 904,249 6,251 285.08,255 2.09,256 113.716,258 0.75,259 0.67,260 0.83,261 0.3,263 0.67,264 0.5,265 0.53,266 84.5,267 448,268 4.859,269 4.689,270 7.314,271 4.333,272 3.415,273 4.703,274 3.825,275 12.531,276 3.119,277 4.844,278 4.683,279 7.294,280 4.3,281 3.389,282 4.697,283 3.825,284 12.41,285 3.069,286 4.419,287 4.459,288 7.108,289 4.15,290 3.294,291 3.751,292 2.104,293 11.65,294 2.845,295 4.418,296 4.459,297 7.108,298 4.143,299 3.285,300 3.75,301 0.677,302 11.649,303 2.83,304 3.895,305 3.931,306 6.001,307 3.676,308 2.688,309 3.07,311 8.416,312 2.63,313 3.467,314 3.19,315 4.977,316 2.987,317 2.032,318 2.777,320 5.666,321 1.906,322 3.459,323 2.296,324 4.962,325 2.971,326 2.016,327 2.764,329 5.628,330 1.892,331 2.793,332 2.224,333 4.552,334 2.465,335 1.508,336 1.864,338 4.287,339 1.421,340 2.774,341 2.12,342 4.542,343 2.317,344 1.377,345 1.849,347 4.241,348 1.261,349 2.619,350 1.688,351 4.076,352 2.242,353 1.279,354 1.57,356 3.392,357 1.208,358 2.5,359 1.516,360 3.414,361 2,362 1,363 1.5,365 2.275,366 1,367 2.5,368 1,369 3.414,370 2,371 1,372 1.5,374 2.275,375 1,376 1.65,377 1,378 3.396,379 1.463,380 0.523,381 0.563,383 1.216,384 0.489,385 1.456,386 0.906,387 3.099,388 1.181,389 0.145,390 0.171,392 0.205,393 0.149,394 1,395 0.51,396 2.848,397 0.491,398 -0.46,399 -0.56,401 -1.169,402 -0.427,403 15.081,404 0.444,405 1.616,406 0.048,407 40.75,408 1.199,409 19.5,410 0.574,411 21.25,412 0.625,413 29.231,414 0.86,415 41.319,416 0.843,417 45.511,418 1.339,419 8.449,420 0.248,421 7.022,422 0.207,423 0.246,424 0.177,425 0.199,426 6,428 0.611,429 1,430 0.79,431 1.316,432 0.733,433 0.908,434 0.465,435 0.699,436 0.806,437 0.951,438 0.477,439 0.992,440 0.736,441 0.927,442 1.163,443 1.294,444 0.695,445 1.201,446 1.275,447 0.983,448 1.427,449 1.145,450 1.235,451 1.144,452 1.127,453 0.723,454 1.147,455 0.787,456 1.165,457 0.931,458 0.542,459 0.841,460 0.854,461 1.471,462 0.747,463 1.121,464 0.468,465 0.61,466 0.65,467 0.707,468 0.472,469 0.902,470 0.981,471 0.785,472 1.143,473 0.998,474 0.903,475 1.065,476 13,477 0.301,478 6.889,479 3.25,480 1.964,481 1.861,482 1.407,483 0.599,484 0.584,485 0.466,486 15023,487 88604,488 1.825,489 30.6,491 11,494 4,498 1.761,499 1.619,500 3.628,501 1.779,506 109.256,507 2.23,508 3.757,509 4.074,510 4.319,511 4.441,512 4.523,513 3.031,514 4.396,515 5.057,516 3.875,517 2173.98,518 8.874,519 33944.6,523 275.121,524 1.865,525 4.922,526 0.371,527 0.009,528 0.128,529 0.059,530 0.039,531 0.042,532 0.031,533 0.011,534 0.015,535 0.013,536 0.718,537 0.17,538 0.75,539 1.139,540 183.442,541 -0.012,542 -0.032,543 0.148,544 -0.029,545 -0.121,546 0.083,547 0.368,548 0.35,549 0.008,550 0.095,551 0.359,552 -0.086,553 -0.046,554 -0.146,555 -0.117,556 -0.163,557 0.019,558 -0.122,559 -0.371,560 -0.147,561 -0.325,562 -0.113,563 -0.296,564 -0.135,565 -0.233,566 0.006,567 -0.082,568 0.15,569 -0.235,570 0.081,571 0.153,572 -0.201,573 0.36,574 -0.28,575 0.004,576 -0.009,577 0.473,578 0.146,579 0.196,580 0.088,581 0.51,582 -0.004,583 -0.203,584 -0.064,585 -0.128,586 -0.034,587 -0.133,588 0.015,589 5.994,590 5.412,591 0.353,592 38.118,593 1.091,594 1.171,595 2.045,596 4.181,597 0.664,598 3.584,599 4.007,600 4.127,601 4.205,602 4.369,603 4.533,604 4.673,605 4.143,606 4.29,607 4.419,608 7.906,609 0.689,610 535.49,611 3.584,612 5.187,613 6.014,614 6.919,615 7.768,616 8.668,617 9.526,618 10.423,619 11.286,620 12.18,621 6.1,622 2,624 1,629 8,632 4,634 12,641 49,642 17,643 2,644 35,645 50,646 17,647 12,648 4,649 8,651 2,652 2,653 2,656 2,657 1,659 13,660 4,662 5,664 2,665 5,666 1,669 6,670 15,671 15,672 4,673 17,674 2,677 3,678 1,679 6,686 2,696 1,700 1,702 2,704 2,706 6,708 34,711 2,712 1,713 1,714 3,717 1,719 2,723 6,724 12.2,725 1,727 5,731 21,732 8.224,733 7.111,734 2.341,735 1.903,736 1.269,737 0.94,738 8.161,739 8.975,740 3.85,741 4.5,742 4.879,743 5.261,744 5.731,745 6.011,746 6.355,747 5.407,748 5.729,749 6.031,750 0.889,751 55,752 15.031,753 8.959,754 9.265,755 21.407,756 17.666,757 3.765,758 128,760 129.482,761 119.227,762 47.283,763 156.577,764 89.761,765 11.615,766 107.612,767 286.059,768 137.043,770 16.578,771 163.041,772 118.475,773 99.233,775 129.482,776 15.519,777 129.482,778 154.895,779 246.337,780 11.615,782 129.482,783 203.532,784 42.806,785 64.907,786 89.987,787 11.615,789 219.243,790 203.859,791 119.227,793 11.615,794 145.001,795 16.283,796 75.81,797 47.283,798 246.337,799 129.482,800 293.62,801 119.227,803 0.619,804 0.334,805 0.136,806 0.07,807 24,808 14,809 0.16,810 8,812 1,813 4.117,814 301.222,816 12,817 151.464,819 2,820 27.736,821 10.004,822 7.244,824 293.62,825 4.319,828 -3.634,830 90.088,831 542.329,832 46,834 -9.221,835 61.253,836 -1.439,837 53.451,838 57.366,839 0.397,840 0.669,841 0.726,842 0.769,843 0.791,844 0.806,845 5.159,846 1.508,847 6.155,848 5.628,849 4.691,850 5.187,851 3.902,852 7.094,853 4.527,854 6.47,855 1.377,856 7.835,857 4.287,858 4.89,859 5.58,860 4.625,861 8.665,862 4.524,863 7.883,864 1.279,865 9.637,866 4.241,867 6.569,868 7.579,869 6.172,870 11.59,871 6.194,872 9.333,873 1,874 11.506,875 3.392,876 7.445,877 8.682,878 7.4,879 13.809,880 6.872,881 10.813,882 1,883 13.413,884 2.275,885 8.786,886 10.348,887 8.767,888 16.425,889 8.169,890 12.313,891 0.523,892 15.343,893 2.275,894 9.88,895 11.708,896 10.088,897 18.834,898 9.098,899 13.827,900 0.145,901 17.287,902 1.216,903 11.127,904 13.281,905 11.432,906 21.368,907 10.271,908 3.415,909 -0.46,910 19.24,911 0.205,912 12.294,913 14.743,914 12.769,915 23.838,916 11.3,917 3.389,918 12.531,919 21.2,920 -1.169,921 13.513,922 16.291,923 14.111,924 26.349,925 12.427,926 3.294,927 12.41,928 23.165,929 4.703,930 14.707,931 17.796,932 15.452,933 28.84,934 13.499,935 3.285,936 11.65,937 25.133,938 4.697,939 15.919,940 19.337,941 16.793,942 31.345,943 14.612,944 2.688,945 11.649,946 27.103,947 3.751,948 17.122,949 20.863,950 18.135,951 33.845,952 15.703,953 2.032,954 8.416,955 29.074,956 3.75,957 18.333,958 22.404,959 19.476,960 36.35,961 16.813,962 2.016,963 5.666,964 31.048,965 3.07,966 19.541,967 23.94,968 20.818,969 38.854,970 17.914,971 15386,972 37552,973 20.455,974 32.517,975 54.503,976 57.285,977 56.115,978 54.458,979 53.903,980 69.058,981 20.863,982 171.682,983 49.639,984 5.798,985 6.689,986 6.857,987 5.409,988 5.415,989 7.703,990 5.415,991 19.951,992 5.119,993 27.221,994 1.557,995 1.637,996 1.603,997 1.556,998 1.54,999 1.973,1000 0.596,1001 4.905,1002 1.418,1003 4.113,1004 4.097,1005 4.75,1006 4.089,1007 8.517,1008 4.006,1009 4.048,1010 4.027,1011 4.72,1012 4.04,1013 8.509,1014 3.956,1015 3.779,1016 3.808,1017 3.812,1018 3.648,1019 7.999,1020 3.624,1021 3.693,1022 3.675,1023 3.793,1024 3.588,1025 7.999,1026 3.523,1027 3.539,1028 3.532,1029 3.563,1030 3.345,1031 7.999,1032 3.336,1033 3.224,1034 3.277,1035 3.244,1036 2.873,1037 7.999,1038 2.933,1039 3.197,1040 3.234,1041 3.239,1042 2.847,1043 7.72,1044 2.904,1045 3.052,1046 3.089,1047 2.964,1048 2.735,1049 7.713,1050 2.728,1051 0.139,1052 0.134,1053 0.209,1054 0.124,1055 0.098,1056 4.859,1057 0.134,1058 4.689,1059 0.109,1060 7.314,1061 0.358,1062 4.333,1063 0.089,1064 3.415,1065 4.703,1066 3.825,1067 12.531,1068 3.119,1069 1.976,1070 1.984,1071 1.988,1072 2.059,1073 1.225,1074 2.091,1075 1.959,1076 1.966,1077 1.984,1078 2.029,1079 1.177,1080 2.057,1081 1.677,1082 1.651,1083 1.792,1084 1.882,1085 1.05,1086 1.87,1087 1.478,1088 1.516,1089 1.298,1090 1.669,1091 0.643,1092 1.681,1093 1.33,1094 1.351,1095 1.182,1096 1.582,1097 0.528,1098 1.551,1099 0.998,1100 0.944,1101 1.181,1102 1.4,1103 0.218,1104 1.333,1105 0.913,1106 0.888,1107 1.181,1108 1.316,1109 0.218,1110 1.222,1111 0.886,1112 0.821,1113 1.142,1114 1.195,1115 0.192,1116 1.154,1117 4.263,1118 5.659,1120 7.225,1122 8.855,1124 10.517,1126 75.796,1129 8.809,1130 -1.018,1131 4.604,1134 -1.999,1136 -9.47,1139 33.768,1140 109.256,1141 184.101,1142 199.611,1143 211.611,1144 217.611,1145 221.611,1146 213.886,1147 7.072,1148 141.67,1149 158.43,1150 12,1151 12.712,1152 4.17,1153 3.585,1154 84.944,1155 157,1156 150,1157 0.255,1158 212.373,1159 396.84,1160 509.95,1161 10258,1162 12.2,1163 25.949,1164 0.763,1165 0.533,1166 21.449,1167 18.109,1168 15.47,1169 0.442,1170 0.336,1171 8.75,1172 12.757,1173 8.489,1174 6.908,1175 14.69,1176 11.743,1177 16.695,1178 0.309,1179 0.186,1180 15.403,1181 10.027,1182 11.511,1183 0.189,1184 0.117,1185 11.821,1186 7.113,1187 8.007,1188 0.121,1189 0.071,1190 8.51,1191 4.686,1192 5.788,1193 0.074,1194 0.042,1195 7.03,1196 3.283,1197 0.406,1198 118.394,1199 0.221,1200 31.597,1201 0.686,1202 178,1203 1084.21,1204 302.559,1205 906.221,1206 1121.46,1207 816,1208 204,1209 688.777,1210 330.393,1211 722.327,1212 1082.23,1213 670,1214 4.638} {0 CHEMBL538862,1 1.846,2 12.788,3 2.563,4 6.568,5 112.513,6 8.564,7 0.444,8 4.126,9 4.231,10 3.78,11 3.603,12 5.365,13 3.632,14 4.686,15 4.825,16 4.217,17 4.009,18 6.267,19 4.025,20 4.937,21 5.122,22 4.255,23 4.162,24 6.231,25 4.144,26 5.052,27 5.259,28 4.274,29 4.148,30 6.339,31 4.134,32 5.012,33 5.216,34 4.215,35 4.079,36 6.385,37 4.086,38 4.938,39 5.121,40 4.218,41 4.031,42 6.468,43 4.052,44 4.868,45 5.084,46 3.945,47 3.93,48 6.265,49 3.9,50 4.68,51 4.915,52 3.695,53 3.713,54 5.897,55 3.663,56 0.321,57 1.01,58 8.662,59 4.986,60 44.077,61 5.359,62 1.134,63 1.93,64 18.947,65 8.304,66 169.484,67 9.348,68 1.056,69 1.839,70 27.071,71 10.419,72 139.96,73 13.235,74 1.417,75 1.975,76 33.444,77 11.015,78 161.9,79 13.967,80 1.486,81 1.964,82 34.301,83 11.348,84 202.688,85 12.881,86 1.402,87 2.051,88 29.708,89 10.704,90 188.499,91 11.325,92 1.317,93 1.737,94 30.042,95 10.315,96 183.224,97 11.534,98 0.953,99 1.228,100 25.906,101 8.513,102 126.561,103 10.711,104 42,105 52,106 0.304,107 0.675,108 0.825,109 0.885,110 0.885,111 0.885,112 3.532,113 0.852,114 -3.59,115 -3.56,116 -3.39,117 40.7,119 2,120 1,122 2,123 1,125 1,128 7,129 3,132 1,134 1,135 1,136 2,143 1,145 1,147 10,150 8,152 2,153 4,154 12,158 7,159 1,161 3,163 9,165 1,166 8,167 3,168 1,169 3,171 8,174 5,176 1,177 1,178 2,180 9,181 2,182 7,184 1,186 2,189 9,192 7,193 1,195 4,197 7,200 4,205 4,207 5,209 2,210 3,213 2,215 4,216 3,219 1762,220 21.911,221 21.911,222 21.911,223 21.911,224 21.911,225 19.846,226 24.645,227 12.704,228 22.468,229 17.703,230 17.703,231 17.703,232 17.703,233 17.703,234 14.405,235 30.284,236 5.94,237 18.578,238 3.909,239 1.66,240 0.748,241 0.384,242 0.384,243 0.384,244 4.222,246 1,247 1,248 905,249 4.359,250 79.702,251 323.732,253 150.855,255 2.028,256 65.147,258 1,259 0.83,260 1,261 0.8,262 0.5,263 1,264 1,265 0.88,266 76.5,267 422,268 4.736,269 4.475,270 7.32,271 4.359,272 3.453,273 4.608,274 3.825,275 12.644,276 3.185,277 4.215,278 3.944,279 6.462,280 4.004,281 3.015,282 3.77,283 2.071,284 9.991,285 2.976,286 4.143,287 3.574,288 6.455,289 3.805,290 2.895,291 3.44,292 1.058,293 9.879,294 2.792,295 4.052,296 3.224,297 6.024,298 3.757,299 2.773,300 3.217,301 0.86,302 8.57,303 2.499,304 3.735,305 3.214,306 5.47,307 3.395,308 2.399,309 3.061,310 0.68,311 7.176,312 2.385,313 3.325,314 2.703,315 5.128,316 3.037,317 2.047,318 2.607,319 0.589,320 5.907,321 2.013,322 3.226,323 2.647,324 5.036,325 2.852,326 1.886,327 2.3,329 5.647,330 1.806,331 3.042,332 2.152,333 4.62,334 2.539,335 1.574,336 2.284,338 4.501,339 1.508,340 2.809,341 2.074,342 4.155,343 2.44,344 1.524,345 1.838,347 3.669,348 1.398,349 2.675,350 1.861,351 3.802,352 2.204,353 1.248,354 1.736,356 2.917,357 1.175,358 2.5,359 1.65,360 3.64,361 2.147,362 1.19,363 1.5,365 2.876,366 1.115,367 2.403,368 1.513,369 3.574,370 2.099,371 1.119,372 1.375,374 2.6,375 1.089,376 2.184,377 1.322,378 3.559,379 2,380 1,381 1.155,383 2.275,384 1,385 2.139,386 1,387 3.414,388 1.694,389 0.733,390 0.998,392 1.95,393 0.699,394 1.47,395 0.96,396 2.91,397 1.27,398 0.253,399 0.278,401 0.378,402 0.254,403 14.79,404 0.448,405 0.984,406 0.03,407 38.5,408 1.167,409 17,410 0.515,411 21.5,412 0.652,413 29.722,414 0.901,415 37.41,416 0.693,417 35.622,418 1.079,419 8.044,420 0.244,421 7.73,422 0.234,423 0.126,424 0.034,425 0.331,426 3,428 0.625,429 0.977,430 0.651,431 1.037,432 0.602,433 0.908,434 0.592,435 0.869,436 0.774,437 1.039,438 0.448,439 1.009,440 0.609,441 0.835,442 0.837,443 1.073,444 0.549,445 1.067,446 0.755,447 0.797,448 0.933,449 0.969,450 0.84,451 1.015,452 1.152,453 1.015,454 1.008,455 0.919,456 1.206,457 0.907,458 1.231,459 1.261,460 1.082,461 1.072,462 1.251,463 1.031,464 1.218,465 1.124,466 1.211,467 1.052,468 1.216,469 1.101,470 0.941,471 0.923,472 0.99,473 1.038,474 0.915,475 1.04,476 7.5,477 0.136,478 4.444,479 2.694,480 2.317,481 1.601,482 0.806,483 0.4,484 0.393,485 0.291,486 15747,487 58518,488 2.036,489 38.9,490 2,491 12,492 1,494 3,495 1,497 2,498 1.75,499 1.877,500 3.561,501 0.922,503 1,506 99.663,507 1.846,508 4.095,509 5.007,510 5.371,511 5.371,512 5.371,513 2.949,514 4.56,515 5.02,516 3.809,517 2011.35,518 8.776,519 30899.1,523 310.764,524 1.628,525 4.954,526 0.208,527 0.005,528 0.085,529 0.05,530 0.045,531 0.032,532 0.016,533 0.011,534 0.014,535 0.011,536 0.478,537 0.33,538 0.88,539 0.998,540 176.417,541 -0.02,542 0.01,543 0.016,544 0.044,545 -0.062,546 0.043,547 0.221,548 0.174,549 0.026,550 0.008,551 0.283,552 -0.056,553 0.057,554 -0.026,555 0.02,556 -0.078,557 0.074,558 -0.061,559 0.043,560 0.019,561 0.009,562 -0.027,563 -0.045,564 -0.03,565 -0.144,566 -0.072,567 -0.002,568 0.069,569 -0.145,570 0.091,571 -0.134,572 -0.163,573 -0.099,574 -0.058,575 -0.081,576 -0.062,577 -0.174,578 -0.027,579 -0.19,580 -0.03,581 -0.131,582 -0.084,583 -0.087,584 -0.082,585 0.034,586 -0.044,587 -0.077,588 0.027,589 5.845,590 5.65,591 0.636,592 33.739,593 1.039,594 1.148,595 2.359,596 5.564,597 0.653,598 3.611,599 3.97,600 4.234,601 4.5,602 4.736,603 4.812,604 4.86,605 4.949,606 5.037,607 5.1,608 7.773,609 0.655,610 462.47,611 3.611,612 5.176,613 6.033,614 6.93,615 7.81,616 8.712,617 9.6,618 10.504,619 11.396,620 12.301,621 7.4,624 2,625 1,626 1,628 1,629 8,630 1,632 4,634 16,635 1,641 54,642 18,643 1,644 36,645 57,646 22,647 13,648 2,649 4,650 1,651 4,652 5,653 1,654 2,655 1,656 1,657 3,659 15,660 7,661 1,662 2,665 2,666 2,668 1,669 3,670 21,671 10,672 3,673 11,677 4,678 0.75,679 4,681 1,682 1,685 1,686 3,688 1,696 1,700 1,701 1,702 3,706 3,708 33,712 1,713 4,714 2,715 1,717 2,719 1,723 3,724 7.4,725 1,727 2,728 1,731 17.583,732 9.362,733 7.167,734 3.072,735 3.319,736 1.414,737 0.959,738 6.704,739 11.339,740 3.85,741 4.44,742 5.006,743 5.578,744 6.106,745 6.427,746 6.779,747 7.175,748 7.42,749 7.731,750 1,751 54,752 12.84,753 6.207,754 8.381,755 22.28,756 18.594,757 2.881,758 95.083,759 1,760 211.88,761 121.261,762 50.31,763 104.095,764 44.88,766 121.261,767 315.975,768 95.191,770 46.737,771 118.187,772 87.362,773 58.358,774 13.915,775 200.109,776 7.76,777 211.88,778 171.572,779 148.976,782 188.338,783 118.712,784 53.806,785 58.418,786 96.491,787 16.663,789 256.76,790 154.406,791 121.261,794 219.639,795 38.121,796 76.545,797 32.483,798 165.639,799 211.88,800 199.286,801 121.261,803 0.59,804 0.344,805 0.183,806 0.104,807 25,808 12,809 0.088,810 5,811 1,812 1.095,813 4.295,814 305.871,815 0.095,816 21,817 155.71,820 23.243,821 9.517,822 5.034,823 0.361,824 198.122,825 12.495,826 3.686,828 -0.007,830 75.289,831 532.427,832 46,835 24.453,836 -1.083,837 56.091,838 62.002,839 0.321,840 0.712,841 0.87,842 0.933,843 0.933,844 0.933,845 5.118,846 1.574,847 6.061,848 5.647,849 4.654,850 5.127,851 3.52,852 6.93,853 4.568,854 6.339,855 1.524,856 7.665,857 4.501,858 4.443,859 5.047,860 3.979,861 8.1,862 4.247,863 7.667,864 1.248,865 9.38,866 3.669,867 6.344,868 7.327,869 5.545,870 11.159,871 6.161,872 9.032,873 1.19,874 11.161,875 2.917,876 6.938,877 8.07,878 6.723,879 13.139,880 6.642,881 10.43,882 1.119,883 12.986,884 2.876,885 8.366,886 9.879,887 8.089,888 15.793,889 8.058,890 11.853,891 1,892 14.84,893 2.6,894 9.302,895 11.013,896 9.4,897 18.087,898 8.892,899 13.295,900 0.733,901 16.716,902 2.275,903 10.567,904 12.639,905 10.743,906 20.629,907 10.119,908 3.453,909 0.253,910 18.609,911 1.95,912 11.652,913 13.969,914 12.078,915 23.052,916 11.111,917 3.015,918 12.644,919 20.515,920 0.378,921 12.865,922 15.524,923 13.419,924 25.569,925 12.267,926 2.895,927 9.991,928 22.433,929 4.608,930 14.016,931 16.952,932 14.759,933 28.049,934 13.332,935 2.773,936 9.879,937 24.359,938 3.77,939 15.218,940 18.48,941 16.1,942 30.565,943 14.465,944 2.399,945 8.57,946 26.294,947 3.44,948 16.401,949 19.957,950 17.442,951 33.071,952 15.563,953 2.047,954 7.176,955 28.235,956 3.217,957 17.606,958 21.478,959 18.783,960 35.593,961 16.691,962 1.886,963 5.907,964 30.182,965 3.061,966 18.807,967 22.979,968 20.125,969 38.113,970 17.807,971 15120,972 29329,973 23.463,974 35.267,975 55.068,976 57.899,977 56.472,978 54.559,979 54.258,980 68.377,981 18.167,982 162.047,983 51.824,984 5.736,985 6.475,986 7.002,987 5.435,988 5.453,989 7.608,990 5.395,991 20.521,992 5.185,993 18.939,994 1.53,995 1.608,996 1.569,997 1.516,998 1.507,999 1.899,1000 0.505,1001 4.501,1002 1.44,1003 4.143,1004 4.187,1005 4.117,1006 4.014,1007 8.513,1008 4.03,1009 3.944,1010 3.976,1011 3.886,1012 3.845,1013 7.999,1014 3.85,1015 3.841,1016 3.874,1017 3.755,1018 3.696,1019 7.999,1020 3.704,1021 3.533,1022 3.571,1023 3.516,1024 3.384,1025 7.433,1026 3.394,1027 3.413,1028 3.455,1029 3.348,1030 3.146,1031 7.427,1032 3.182,1033 3.343,1034 3.38,1035 3.261,1036 3.099,1037 6.493,1038 3.125,1039 3.123,1040 3.18,1041 3.068,1042 2.839,1043 5.029,1044 2.879,1045 2.999,1046 3.082,1047 2.876,1048 2.735,1049 4.694,1050 2.725,1051 0.132,1052 0.124,1053 0.203,1054 0.121,1055 0.096,1056 4.736,1057 0.128,1058 4.475,1059 0.106,1060 7.32,1061 0.351,1062 4.359,1063 0.088,1064 3.453,1065 4.608,1066 3.825,1067 12.644,1068 3.185,1069 1.966,1070 1.941,1071 2.067,1072 2.072,1073 1.356,1074 2.068,1075 1.877,1076 1.841,1077 1.997,1078 2.033,1079 1.244,1080 2.022,1081 1.801,1082 1.762,1083 1.963,1084 1.967,1085 1.058,1086 1.968,1087 1.547,1088 1.515,1089 1.636,1090 1.75,1091 0.833,1092 1.699,1093 1.292,1094 1.243,1095 1.538,1096 1.608,1097 0.804,1098 1.565,1099 1.217,1100 1.181,1101 1.354,1102 1.504,1103 0.479,1104 1.459,1105 1.013,1106 0.952,1107 1.243,1108 1.303,1109 0.361,1110 1.298,1111 0.911,1112 0.841,1113 1.181,1114 1.271,1115 0.218,1116 1.27,1117 4.29,1118 5.638,1119 2.398,1120 7.177,1121 4.844,1122 8.799,1123 7.066,1124 10.464,1126 40.543,1129 8.884,1130 0.817,1131 4.342,1132 5.242,1134 -1.255,1136 -4.595,1139 35.363,1140 99.663,1141 221.138,1142 270.358,1143 290.009,1144 290.009,1145 290.009,1146 96.918,1147 8.019,1148 104.96,1149 104.96,1150 23,1151 12.822,1152 4.248,1153 3.459,1154 54.579,1155 160,1156 138,1157 0.17,1158 212.639,1159 380.63,1160 510.598,1161 37920,1162 5.6,1163 23.587,1164 0.715,1165 0.524,1166 21.087,1167 17.302,1168 15.774,1169 0.438,1170 0.284,1171 9.997,1172 14.831,1173 9.912,1174 8.087,1175 14.563,1176 10.226,1177 14.904,1178 0.287,1179 0.149,1180 12.909,1181 7.755,1182 12.023,1183 0.177,1184 0.083,1185 11.242,1186 5.627,1187 9.856,1188 0.111,1189 0.044,1190 9.203,1191 3.934,1192 8.135,1193 0.072,1194 0.024,1195 7.476,1196 2.724,1197 0.271,1198 101.706,1199 0.206,1200 30.814,1201 0.453,1202 176,1203 765.646,1204 209.673,1205 645.531,1206 832.91,1207 596,1208 208,1209 576.178,1210 236.73,1211 556.803,1212 833.48,1213 522,1214 5.272} {0 CHEMBL567893,1 1.541,2 26.506,3 3.608,4 13.018,5 303.731,6 6.599,7 0.071,8 5.223,9 5.359,10 4.633,11 4.624,12 6.309,13 4.597,14 5.821,15 6.027,16 5.011,17 5.021,18 6.878,19 4.967,20 6.157,21 6.37,22 5.193,23 5.246,24 7.277,25 5.176,26 6.355,27 6.594,28 5.328,29 5.32,30 7.528,31 5.275,32 6.372,33 6.569,34 5.402,35 5.379,36 7.78,37 5.344,38 6.461,39 6.691,40 5.407,41 5.506,42 7.605,43 5.429,44 6.565,45 6.795,46 5.495,47 5.589,48 7.744,49 5.513,50 6.649,51 6.883,52 5.448,53 5.624,54 7.877,55 5.523,56 0.208,57 2.397,58 42.165,59 16.115,60 49.209,61 23.003,62 1.402,63 3.664,64 79.783,65 25.44,66 184.303,67 38.387,68 2.442,69 4.607,70 113.983,71 33.627,72 313.442,73 50.556,74 2.827,75 5.025,76 141.257,77 35.849,78 444.904,79 56.145,80 4.563,81 5.306,82 146.35,83 36.487,84 783.609,85 55.532,86 3.405,87 5.941,88 155.582,89 44.412,90 528.019,91 67.105,92 3.332,93 6.467,94 172.179,95 48.697,96 579.421,97 74.138,98 4.851,99 6.782,100 189.826,101 50.72,102 818.572,103 78.207,104 1032,105 117,106 0.203,107 0.436,108 0.675,109 0.797,110 0.856,111 0.874,112 4.432,113 1.019,114 -0.08,115 -0.22,116 -0.41,117 32.6,118 12,119 7,120 5,121 4,122 1,123 12,128 5,129 1,136 11,140 1,141 1,142 1,147 20,149 5,150 8,151 1,152 6,153 8,154 17,156 1,157 9,158 20,159 6,160 5,161 8,163 6,166 27,167 3,168 3,169 9,170 1,171 2,173 13,174 24,175 1,176 9,177 2,178 11,179 1,180 11,181 7,182 26,183 1,184 8,185 2,186 9,189 18,191 1,192 31,193 5,194 3,195 14,196 1,197 23,198 2,199 9,200 23,203 7,204 4,205 15,206 1,207 17,208 3,209 4,210 23,212 1,213 8,214 1,215 16,216 17,218 4,219 25763,220 51.992,221 51.992,222 51.992,223 51.992,224 51.992,225 49.757,226 53.05,227 30.172,228 52.786,229 41.117,230 41.117,231 41.117,232 41.117,233 41.117,234 37.149,235 51.43,236 14.001,237 42.174,238 5.935,239 4.165,240 2.353,241 1.423,242 0.978,243 0.843,244 5.091,248 4413,249 10.075,250 349.501,251 410.739,255 4.259,256 180.567,258 0.25,259 0.33,260 0.33,261 0.6,262 1,263 0.17,265 0.38,266 186.5,267 2200,268 4.336,269 4.011,270 6.833,271 4.179,272 3.215,273 3.54,274 2.581,275 11.19,276 3.094,277 4.2,278 3.991,279 6.622,280 4.045,281 3.085,282 3.39,283 2.474,284 10.323,285 2.954,286 4.132,287 3.866,288 6.476,289 3.979,290 3.005,291 3.349,292 2.421,293 9.874,294 2.923,295 4.125,296 3.864,297 6.432,298 3.968,299 2.995,300 3.286,301 2.028,302 9.784,303 2.906,304 4.06,305 3.809,306 6.355,307 3.912,308 2.939,309 3.278,310 2.012,311 9.512,312 2.852,313 4.028,314 3.772,315 6.268,316 3.865,317 2.894,318 3.2,319 1.976,320 9.289,321 2.8,322 3.936,323 3.704,324 6.2,325 3.803,326 2.827,327 3.157,328 1.972,329 9.096,330 2.748,331 3.89,332 3.643,333 6.054,334 3.722,335 2.741,336 3.061,337 1.938,338 8.684,339 2.68,340 3.835,341 3.604,342 5.92,343 3.601,344 2.605,345 2.943,346 1.918,347 8.107,348 2.587,349 3.744,350 3.545,351 5.876,352 3.576,353 2.58,354 2.888,355 1.889,356 8.001,357 2.563,358 3.687,359 3.483,360 5.38,361 3.379,362 2.382,363 2.838,364 1.886,365 6.878,366 2.366,367 3.513,368 2.891,369 5.208,370 3.255,371 2.245,372 2.656,373 0.85,374 6.141,375 2.258,376 3.413,377 2.802,378 5.043,379 3.112,380 2.088,381 2.504,382 0.713,383 5.865,384 2.124,385 3.18,386 2.796,387 4.782,388 3.071,389 2.065,390 2.223,391 0.626,392 5.097,393 2.072,394 3.164,395 2.602,396 4.751,397 2.998,398 2.044,399 2.189,400 0.553,401 5.072,402 1.947,403 37.933,404 0.457,405 2.963,406 0.036,407 74.25,408 0.895,409 22.5,410 0.271,411 51.75,412 0.623,413 152.734,414 1.84,415 102.467,416 0.576,417 107.414,418 1.294,419 13.993,420 0.169,421 24.629,422 0.297,423 0.336,425 0.414,428 0.759,429 1.679,430 0.934,431 1.459,432 0.644,433 1.254,434 0.667,435 1.283,436 0.854,437 1.155,438 0.543,439 1.051,440 0.946,441 1.173,442 1.042,443 1.181,444 0.99,445 1.137,446 1.281,447 1.029,448 0.931,449 0.921,450 1.201,451 0.853,452 1.454,453 1.041,454 1.212,455 0.981,456 1.394,457 1.033,458 1.099,459 1.019,460 1.041,461 1.02,462 1.184,463 1.017,464 1.134,465 1.135,466 1.022,467 1.087,468 1.144,469 1.038,470 1.21,471 1.048,472 1.197,473 1.06,474 1.197,475 1.117,476 22,477 1.095,478 11.111,479 7.993,480 6.161,481 3.809,482 3.701,483 2.425,484 1.767,485 1.687,486 179727,487 491865,488 1.82,489 53.4,490 32,491 31,494 9,495 4,496 19,498 1.961,499 1.622,500 4.609,501 4.505,506 274.252,507 1.541,508 3.311,509 5.122,510 6.053,511 6.498,512 6.633,513 4.084,514 5.989,515 6.349,516 4.897,517 16665.4,518 11.457,519 522744,523 1330.68,524 1.562,525 6.237,526 0.262,527 0.007,528 0.095,529 0.061,530 0.04,531 0.024,532 0.022,533 0.014,534 0.011,535 0.011,536 0.546,537 0.17,538 0.5,539 3.119,540 579.72,541 -0.058,542 -0.202,543 0.014,544 -0.092,545 -0.061,546 -0.031,547 0.142,548 -0.047,549 0.115,550 -0.003,551 0.085,552 0.042,553 0.068,554 -0.026,555 -0.036,556 -0.102,557 -0.054,558 -0.097,559 -0.088,560 -0.023,561 0.107,562 0.049,563 -0.043,564 0.116,565 -0.014,566 0.045,567 -0.12,568 0.013,569 0.073,570 -0.066,571 -0.03,572 0.053,573 -0.028,574 0.017,575 -0.07,576 -0.004,577 -0.059,578 -0.084,579 -0.011,580 -0.047,581 -0.026,582 -0.023,583 -0.056,584 -0.015,585 -0.167,586 -0.065,587 -0.025,588 -0.133,589 3.009,590 7.137,591 0.133,592 179.202,593 1.006,594 1.144,595 -1.155,596 1.333,597 0.601,598 4.443,599 4.771,600 4.949,601 5.136,602 5.198,603 5.231,604 5.328,605 5.293,606 5.323,607 5.328,608 15.663,609 0.569,610 1174.62,611 4.443,612 5.999,613 6.821,614 7.694,615 8.538,616 9.411,617 10.264,618 11.137,619 11.996,620 12.869,621 5.1,623 1,624 8,629 5,632 1,634 6,641 178,642 17,643 1,644 84,645 179,646 58,647 6,648 1,649 5,651 2,652 2,653 12,654 3,657 19,659 17,660 41,661 5,662 11,665 11,666 11,670 95,671 25,672 9,673 25,677 9,678 1,679 16,680 2,684 1,685 1,686 1,692 1,693 5,694 2,695 3,698 1,700 2,702 2,705 16,708 83,709 1,712 2,713 8,714 5,715 3,717 17,718 3,724 9,725 2,727 11,729 3,731 51.167,732 35.25,733 18.611,734 10.932,735 0.648,736 1.077,737 0.853,738 31.769,739 9.069,740 4.595,741 5.001,742 5.251,743 5.524,744 5.741,745 5.639,746 5.798,747 5.917,748 6.014,749 6.033,750 1,751 132,752 31.998,753 14.191,754 8.135,755 57.76,756 46.178,757 2.635,758 218.667,760 1012.32,761 271.6,762 132.324,763 394.961,766 271.6,767 1407.28,768 132.324,769 141.975,770 149.047,771 132.748,772 335.805,773 39.31,775 1012.32,777 1012.32,778 403.924,779 394.961,782 788.664,783 533.245,784 85.367,785 258.074,786 145.85,789 1012.32,790 527.284,791 271.6,794 1012.32,795 82.244,796 198.729,797 90.054,798 427.858,799 1012.32,800 527.284,801 271.6,803 0.587,804 0.332,805 0.173,806 0.086,807 38,808 32,809 0.201,810 36,812 1,813 7.132,814 1005.75,816 11,817 511.128,820 74.204,821 35.534,822 23.827,824 527.284,825 8.895,828 0.717,830 208.318,831 1811.2,832 98,835 149.482,836 -9.161,837 179.148,838 203.689,839 0.206,840 0.443,841 0.685,842 0.81,843 0.869,844 0.887,845 5.885,846 2.741,847 6.847,848 9.096,849 5.46,850 5.69,851 4.472,852 7.663,853 5.41,854 7.054,855 2.605,856 8.432,857 8.684,858 5.263,859 5.585,860 4.073,861 8.63,862 5.202,863 8.337,864 2.58,865 10.115,866 8.107,867 7.072,868 7.527,869 5.737,870 11.695,871 6.965,872 9.642,873 2.382,874 11.852,875 8.001,876 7.611,877 8.132,878 5.999,879 13.434,880 7.485,881 10.974,882 2.245,883 13.623,884 6.878,885 8.97,886 9.641,887 7.217,888 16.046,889 8.799,890 12.323,891 2.088,892 15.417,893 6.141,894 9.822,895 10.536,896 7.778,897 18.109,898 9.624,899 13.686,900 2.065,901 17.229,902 5.865,903 11.02,904 11.896,905 8.822,906 20.553,907 10.781,908 3.215,909 2.044,910 19.054,911 5.097,912 12.013,913 12.92,914 9.541,915 22.764,916 11.74,917 3.085,918 11.19,919 20.889,920 5.072,921 13.151,922 14.223,923 10.51,924 25.146,925 12.839,926 3.005,927 10.323,928 22.732,929 3.54,930 14.208,931 15.31,932 11.318,933 27.429,934 13.859,935 2.995,936 9.874,937 24.581,938 3.39,939 15.326,940 16.588,941 12.256,942 29.792,943 14.939,944 2.939,945 9.784,946 26.436,947 3.349,948 16.414,949 17.711,950 13.114,951 32.113,952 15.988,953 2.894,954 9.512,955 28.295,956 3.286,957 17.528,958 18.976,959 14.04,960 34.474,961 17.063,962 2.827,963 9.289,964 30.158,965 3.278,966 18.632,967 20.124,968 14.927,969 36.818,970 18.128,971 181673,972 301024,973 49.712,974 107.064,975 127.512,976 135.102,977 135.15,978 125.034,979 125.081,980 140.69,981 54.67,982 359.199,983 122.146,984 5.335,985 6.011,986 6.635,987 5.283,988 5.215,989 6.54,990 4.447,991 18.869,992 5.094,993 77.446,994 1.518,995 1.608,996 1.609,997 1.488,998 1.489,999 1.675,1000 0.651,1001 4.276,1002 1.454,1003 4.037,1004 4.081,1005 3.953,1006 3.903,1007 7.456,1008 3.904,1009 3.915,1010 3.956,1011 3.839,1012 3.782,1013 7.435,1014 3.787,1015 3.864,1016 3.906,1017 3.783,1018 3.711,1019 7.433,1020 3.723,1021 3.853,1022 3.892,1023 3.772,1024 3.683,1025 7.43,1026 3.692,1027 3.829,1028 3.876,1029 3.749,1030 3.66,1031 7.43,1032 3.668,1033 3.797,1034 3.846,1035 3.707,1036 3.611,1037 7.427,1038 3.629,1039 3.753,1040 3.799,1041 3.65,1042 3.598,1043 7.426,1044 3.598,1045 3.705,1046 3.754,1047 3.608,1048 3.543,1049 7.424,1050 3.541,1051 0.052,1052 0.048,1053 0.081,1054 0.05,1055 0.038,1056 4.336,1057 0.042,1058 4.011,1059 0.031,1060 6.833,1061 0.133,1062 4.179,1063 0.037,1064 3.215,1065 3.54,1066 2.581,1067 11.19,1068 3.094,1069 1.929,1070 1.899,1071 2.058,1072 2.038,1073 1.363,1074 2.041,1075 1.829,1076 1.782,1077 2.031,1078 2.024,1079 1.316,1080 2.019,1081 1.805,1082 1.761,1083 2.016,1084 1.998,1085 1.267,1086 1.997,1087 1.785,1088 1.737,1089 1.997,1090 1.979,1091 1.262,1092 1.983,1093 1.741,1094 1.696,1095 1.966,1096 1.952,1097 1.228,1098 1.944,1099 1.732,1100 1.682,1101 1.94,1102 1.917,1103 1.215,1104 1.931,1105 1.684,1106 1.63,1107 1.914,1108 1.886,1109 1.2,1110 1.887,1111 1.671,1112 1.627,1113 1.858,1114 1.866,1115 1.133,1116 1.873,1117 5.13,1118 6.457,1119 2.398,1120 7.941,1121 4.595,1122 9.501,1123 6.605,1124 11.105,1125 25.804,1128 5.546,1129 22.254,1130 -0.193,1131 12.578,1132 16.283,1134 -17.767,1135 4.228,1139 101.282,1140 274.252,1141 589.318,1142 911.805,1143 1077.44,1144 1156.6,1145 1180.6,1146 1119.21,1147 8.422,1148 351.81,1149 351.81,1150 11,1151 13.413,1152 4.17,1153 3.907,1154 385.518,1155 789,1156 712,1157 0.226,1158 636.444,1159 1179.02,1160 1544.68,1161 66187,1163 63.324,1164 0.763,1165 0.619,1166 63.324,1167 51.387,1168 38.623,1169 0.46,1170 0.34,1171 28.06,1172 36.71,1173 26.853,1174 22.664,1175 38.623,1176 28.546,1177 36.392,1178 0.311,1179 0.202,1180 36.392,1181 23.677,1182 26.282,1183 0.188,1184 0.101,1185 26.282,1186 14.099,1187 21.235,1188 0.126,1189 0.058,1190 21.235,1191 9.782,1192 14.403,1193 0.08,1194 0.03,1195 14.403,1196 5.442,1197 0.37,1198 246.224,1199 0.142,1200 63.95,1201 0.583,1202 402,1203 1360.51,1204 460.396,1205 1257.91,1206 1606.09,1207 1156,1208 458,1209 1079.27,1210 516.493,1211 1074.76,1212 1559.39,1213 999,1214 5.301}