@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2659 @attribute molecule_id {CHEMBL1204126,CHEMBL1204403,CHEMBL1223814,CHEMBL1253499,CHEMBL1684573,CHEMBL1684574,CHEMBL219272,CHEMBL221436,CHEMBL221485,CHEMBL263090,CHEMBL265858,CHEMBL265859,CHEMBL35226,CHEMBL373742,CHEMBL373968,CHEMBL375096,CHEMBL375187,CHEMBL375188,CHEMBL375323,CHEMBL375324,CHEMBL375325,CHEMBL376685,CHEMBL385068,CHEMBL385739,CHEMBL412742,CHEMBL412972,CHEMBL412973,CHEMBL414074,CHEMBL567176,CHEMBL572709,CHEMBL572754,CHEMBL572760,CHEMBL572835,CHEMBL572921,CHEMBL572983,CHEMBL572984,CHEMBL574450,CHEMBL575359,CHEMBL575574,CHEMBL575773,CHEMBL575796,CHEMBL575797,CHEMBL575972,CHEMBL575986,CHEMBL575987,CHEMBL576147,CHEMBL576341,CHEMBL577599,CHEMBL577816,CHEMBL582857,CHEMBL583081,CHEMBL583082,CHEMBL583083,CHEMBL583084} @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.004 numeric @attribute C.005 numeric @attribute C.006 numeric @attribute C.008 numeric @attribute C.011 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 CATS2D_00_DD numeric @attribute CATS2D_00_DP numeric @attribute CATS2D_00_PP numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_02_AA numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_AP numeric @attribute CATS2D_02_DA numeric @attribute CATS2D_02_DD numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_02_DP numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_02_PL numeric @attribute CATS2D_02_PP numeric @attribute CATS2D_03_AA numeric @attribute CATS2D_03_AL numeric @attribute CATS2D_03_AP numeric @attribute CATS2D_03_DA numeric @attribute CATS2D_03_DD numeric @attribute CATS2D_03_DL numeric @attribute CATS2D_03_DP numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_03_PL numeric @attribute CATS2D_04_AA numeric @attribute CATS2D_04_AL numeric @attribute CATS2D_04_AP numeric @attribute CATS2D_04_DA numeric @attribute CATS2D_04_DD numeric @attribute CATS2D_04_DL numeric @attribute CATS2D_04_DP numeric @attribute CATS2D_04_LL numeric @attribute CATS2D_04_PL numeric @attribute CATS2D_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_05_PL numeric @attribute CATS2D_06_AA numeric @attribute CATS2D_06_AL numeric @attribute CATS2D_06_AP numeric @attribute CATS2D_06_DA numeric @attribute CATS2D_06_DD numeric @attribute CATS2D_06_DL numeric @attribute CATS2D_06_DP numeric @attribute CATS2D_06_LL numeric @attribute CATS2D_06_PL numeric @attribute CATS2D_07_AA numeric @attribute CATS2D_07_AL numeric @attribute CATS2D_07_AP 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_07_PP numeric @attribute CATS2D_08_AA numeric @attribute CATS2D_08_AL 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_08_PP numeric @attribute CATS2D_09_AA numeric @attribute CATS2D_09_AL numeric @attribute CATS2D_09_AP numeric @attribute CATS2D_09_DA numeric @attribute CATS2D_09_DD numeric @attribute CATS2D_09_DL numeric @attribute CATS2D_09_DP numeric @attribute CATS2D_09_LL numeric @attribute CATS2D_09_PL numeric @attribute CATS2D_09_PP numeric @attribute CENT numeric @attribute Chi0_AEA.bo. numeric @attribute Chi0_AEA.dm. numeric @attribute Chi0_AEA.ed. numeric @attribute Chi0_AEA.ri. numeric @attribute Chi0_EA numeric @attribute Chi0_EA.bo. numeric @attribute Chi0_EA.dm. numeric @attribute Chi0_EA.ed. numeric @attribute Chi0_EA.ri. numeric @attribute Chi1_AEA.bo. numeric @attribute Chi1_AEA.dm. numeric @attribute Chi1_AEA.ed. numeric @attribute Chi1_AEA.ri. numeric @attribute Chi1_EA numeric @attribute Chi1_EA.bo. numeric @attribute Chi1_EA.dm. numeric @attribute Chi1_EA.ed. numeric @attribute Chi1_EA.ri. numeric @attribute CIC0 numeric @attribute CIC1 numeric @attribute CIC2 numeric @attribute CIC3 numeric @attribute CIC4 numeric @attribute CIC5 numeric @attribute CID numeric @attribute Cl.089 numeric @attribute CMC.80 numeric @attribute cRo5 numeric @attribute CSI numeric @attribute DBI numeric @attribute D.Dtr03 numeric @attribute D.Dtr04 numeric @attribute D.Dtr05 numeric @attribute D.Dtr06 numeric @attribute D.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.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.80 numeric @attribute IAC numeric @attribute IC0 numeric @attribute IC1 numeric @attribute IC2 numeric @attribute IC3 numeric @attribute IC4 numeric @attribute IC5 numeric @attribute ICR numeric @attribute IDDE numeric @attribute IDDM numeric @attribute IDE numeric @attribute IDET numeric @attribute IDM numeric @attribute IDMT numeric @attribute Infective.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.066 numeric @attribute N.067 numeric @attribute N.068 numeric @attribute N.070 numeric @attribute N.071 numeric @attribute N.072 numeric @attribute N.074 numeric @attribute N.075 numeric @attribute NaaaC numeric @attribute NaaCH numeric @attribute NaaN numeric @attribute NaaS numeric @attribute NaasC numeric @attribute nAB numeric @attribute nArCONR2 numeric @attribute nArNHR numeric @attribute nArOH 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 nCL numeric @attribute nC..N.N2 numeric @attribute nCONN numeric @attribute nCp numeric @attribute nCq numeric @attribute nCrq numeric @attribute nCrs numeric @attribute nCrt numeric @attribute nCs numeric @attribute nCsp2 numeric @attribute nCsp3 numeric @attribute nCt numeric @attribute nDB numeric @attribute NddssS numeric @attribute NdO numeric @attribute NdsN numeric @attribute NdssC numeric @attribute Neoplastic.80 numeric @attribute nF numeric @attribute nH numeric @attribute nHAcc numeric @attribute nHDon numeric @attribute nHet numeric @attribute nHM numeric @attribute nN numeric @attribute nN.C.N. numeric @attribute NNRS numeric @attribute nO numeric @attribute nOHs numeric @attribute nPyridines numeric @attribute nPyrrolidines numeric @attribute nR03 numeric @attribute nR04 numeric @attribute nR05 numeric @attribute nR06 numeric @attribute nR09 numeric @attribute nR10 numeric @attribute nRCONH2 numeric @attribute nRCONHR numeric @attribute nRCONR2 numeric @attribute nRNH2 numeric @attribute nRNHR numeric @attribute nRNR2 numeric @attribute nROCON numeric @attribute nROH numeric @attribute nROR numeric @attribute NRS numeric @attribute nRSSR numeric @attribute nS numeric @attribute NsCH3 numeric @attribute NsCl numeric @attribute NsF numeric @attribute nSK numeric @attribute NsNH2 numeric @attribute nSO2N numeric @attribute NsOH numeric @attribute NssCH2 numeric @attribute NssNH numeric @attribute NssO numeric @attribute NssS numeric @attribute NsssCH numeric @attribute NsssN numeric @attribute NssssC numeric @attribute nThiophenes 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 ON0 numeric @attribute ON0V numeric @attribute ON1 numeric @attribute ON1V numeric @attribute PCD numeric @attribute PCR numeric @attribute PDI numeric @attribute PHI numeric @attribute piID numeric @attribute piPC01 numeric @attribute piPC02 numeric @attribute piPC03 numeric @attribute piPC04 numeric @attribute piPC05 numeric @attribute piPC06 numeric @attribute piPC07 numeric @attribute piPC08 numeric @attribute piPC09 numeric @attribute piPC10 numeric @attribute PJI2 numeric @attribute Pol numeric @attribute Psi_e_0 numeric @attribute Psi_e_1 numeric @attribute Psi_e_A numeric @attribute Psi_i_0 numeric @attribute Psi_i_1 numeric @attribute Psi_i_A numeric @attribute Psi_i_s numeric @attribute Psi_i_t numeric @attribute Psychotic.50 numeric @attribute Psychotic.80 numeric @attribute P_VSA_e_1 numeric @attribute P_VSA_e_2 numeric @attribute P_VSA_e_3 numeric @attribute P_VSA_e_4 numeric @attribute P_VSA_e_5 numeric @attribute P_VSA_e_6 numeric @attribute P_VSA_i_1 numeric @attribute P_VSA_i_2 numeric @attribute P_VSA_i_3 numeric @attribute P_VSA_i_4 numeric @attribute P_VSA_LogP_1 numeric @attribute P_VSA_LogP_2 numeric @attribute P_VSA_LogP_3 numeric @attribute P_VSA_LogP_4 numeric @attribute P_VSA_LogP_5 numeric @attribute P_VSA_LogP_6 numeric @attribute P_VSA_LogP_7 numeric @attribute P_VSA_LogP_8 numeric @attribute P_VSA_m_1 numeric @attribute P_VSA_m_2 numeric @attribute P_VSA_m_3 numeric @attribute P_VSA_m_4 numeric @attribute P_VSA_MR_1 numeric @attribute P_VSA_MR_2 numeric @attribute P_VSA_MR_3 numeric @attribute P_VSA_MR_5 numeric @attribute P_VSA_MR_6 numeric @attribute P_VSA_MR_7 numeric @attribute P_VSA_MR_8 numeric @attribute P_VSA_p_1 numeric @attribute P_VSA_p_2 numeric @attribute P_VSA_p_3 numeric @attribute P_VSA_s_1 numeric @attribute P_VSA_s_2 numeric @attribute P_VSA_s_3 numeric @attribute P_VSA_s_4 numeric @attribute P_VSA_s_5 numeric @attribute P_VSA_s_6 numeric @attribute P_VSA_v_1 numeric @attribute P_VSA_v_2 numeric @attribute P_VSA_v_3 numeric @attribute PW2 numeric @attribute PW3 numeric @attribute PW4 numeric @attribute PW5 numeric @attribute Qindex numeric @attribute Ram numeric @attribute RBF numeric @attribute RBN numeric @attribute Rbrid numeric @attribute RCI numeric @attribute RDCHI numeric @attribute RDSQ numeric @attribute RFD numeric @attribute Rperim numeric @attribute S0K numeric @attribute S.107 numeric @attribute S.110 numeric @attribute S1K numeric @attribute S2K numeric @attribute S3K numeric @attribute SaaaC numeric @attribute SAacc numeric @attribute SaaCH numeric @attribute SaaN numeric @attribute SaaS numeric @attribute SaasC numeric @attribute SAdon numeric @attribute SAtot numeric @attribute SCBO numeric @attribute SddssS numeric @attribute SdO numeric @attribute SdsN 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 SRW03 numeric @attribute SRW04 numeric @attribute SRW05 numeric @attribute SRW06 numeric @attribute SRW07 numeric @attribute SRW08 numeric @attribute SRW09 numeric @attribute SRW10 numeric @attribute SsCH3 numeric @attribute SsCl numeric @attribute SsF numeric @attribute SsNH2 numeric @attribute SsOH numeric @attribute SssCH2 numeric @attribute SssNH numeric @attribute SssO numeric @attribute SssS numeric @attribute SsssCH numeric @attribute SsssN numeric @attribute SssssC numeric @attribute 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 1.581,2 16.048,3 5.21,4 27.144,5 166.84,6 7.126,7 0.261,8 4.545,9 4.653,10 4.262,11 4.093,12 5.432,13 4.021,14 5.184,15 5.361,16 4.554,17 4.53,18 6.283,19 4.431,20 5.51,21 5.731,22 4.714,23 4.758,24 6.401,25 4.619,26 5.644,27 5.864,28 4.739,29 4.8,30 6.691,31 4.655,32 5.66,33 5.894,34 4.711,35 4.785,36 6.682,37 4.64,38 5.624,39 5.844,40 4.727,41 4.761,42 6.661,43 4.632,44 5.607,45 5.829,46 4.684,47 4.777,48 6.757,49 4.636,50 5.657,51 5.912,52 4.596,53 4.749,54 6.565,55 4.581,56 0.136,57 1.285,58 26.845,59 9.502,60 24.798,61 12.093,62 0.691,63 2.148,64 45.888,65 16.42,66 98.662,67 21.266,68 0.524,69 2.836,70 70.533,71 23.351,72 71.411,73 29.663,74 1.179,75 3.043,76 83.195,77 25.753,78 148.955,79 32.252,80 1.047,81 2.987,82 87.165,83 26.513,84 156.583,85 32.929,86 1.382,87 2.87,88 78.781,89 24.09,90 180.139,91 30.911,92 1.093,93 2.918,94 73.457,95 24.749,96 209.864,97 32.133,98 0.837,99 2.954,100 81.466,101 25.685,102 121.483,103 33.247,104 41,105 66,106 0.237,107 0.482,108 0.704,109 0.828,110 0.844,111 0.855,112 3.765,113 1.196,114 -3.99,115 -3.95,116 -3.74,117 35.6,119 10,120 1,122 2,123 4,124 2,126 7,127 1,128 4,139 13,140 6,141 9,145 3,147 15,151 11,155 2,157 10,159 4,160 20,162 1,164 2,166 7,168 3,169 9,173 1,175 13,177 3,178 10,180 2,184 16,186 6,187 13,191 1,193 11,197 18,203 4,206 3,207 21,209 1,211 1,213 5,216 4032,217 28.313,218 28.313,219 28.313,220 28.313,221 28.313,222 26.306,223 38.11,224 16.48,225 29.112,226 22.559,227 22.559,228 22.559,229 22.559,230 22.559,231 19.214,232 59.237,233 7.619,234 23.678,235 4.862,236 3.234,237 1.753,238 0.931,239 0.822,240 0.753,241 4.465,244 1,245 1459,246 4.796,250 675.745,252 214.69,253 2.29,254 64.634,256 0.75,257 0.5,258 0.67,259 0.9,260 1,261 0.67,262 0.5,263 0.71,264 91.5,265 674,266 5.004,267 4.758,268 7.843,269 4.555,270 3.626,271 4.821,272 0.86,273 14.542,274 3.353,275 4.792,276 4.513,277 7.293,278 4.305,279 3.375,280 4.555,281 0.86,282 12.407,283 3.118,284 4.271,285 3.267,286 6.592,287 3.906,288 2.948,289 3.858,290 0.4,291 10.237,292 2.813,293 4.011,294 2.916,295 5.918,296 3.57,297 2.593,298 3.602,299 0.4,300 8.15,301 2.539,302 3.603,303 2.767,304 5.541,305 3.553,306 2.59,307 2.709,308 0.4,309 7.227,310 2.49,311 3.478,312 2.571,313 5.433,314 3.391,315 2.41,316 2.606,318 7.126,319 2.355,320 3.425,321 2.516,322 5.269,323 3.251,324 2.285,325 2.453,327 6.754,328 2.201,329 3.326,330 2.434,331 5.159,332 2.981,333 2.051,334 2.424,336 6.082,337 1.896,338 2.948,339 2.211,340 4.835,341 2.631,342 1.698,343 2.091,345 4.986,346 1.606,347 2.863,348 1.93,349 4.72,350 2.62,351 1.656,352 1.983,354 4.716,355 1.568,356 2.785,357 1.539,358 4.28,359 2.466,360 1.478,361 1.874,363 3.492,364 1.453,365 2.773,366 1.518,367 3.701,368 2.418,369 1.429,370 1.777,372 3.143,373 1.409,374 2.482,375 1.429,376 3.64,377 2.281,378 1.305,379 1.481,381 3.039,382 1.269,383 2.016,384 1.087,385 3.568,386 2,387 1,388 1,390 2.275,391 1,392 2,393 1.077,394 3.414,395 1.984,396 1,397 1,399 2.136,400 0.983,401 20.367,402 0.485,403 1.12,404 0.027,405 46,406 1.095,407 19.5,408 0.464,409 26.5,410 0.631,411 51.965,412 1.237,413 49.233,414 0.566,415 40.907,416 0.974,417 7.677,418 0.183,419 12.547,420 0.299,421 0.115,422 0.082,423 0.236,425 0.565,426 1.518,427 0.891,428 1.405,429 0.622,430 1.133,431 0.799,432 1.153,433 0.942,434 1.016,435 0.535,436 1.025,437 0.913,438 1.144,439 1.101,440 1.132,441 0.799,442 1.008,443 1.138,444 1.066,445 1.243,446 1.15,447 1.317,448 1.041,449 1.217,450 0.981,451 1.122,452 1.056,453 1.536,454 0.952,455 1.266,456 0.95,457 1.019,458 0.966,459 1.513,460 0.963,461 0.884,462 1.099,463 1,464 1.065,465 0.82,466 1.06,467 1.074,468 1.003,469 1.044,470 1.019,471 1.007,472 0.97,473 9.5,474 0.28,475 6,476 3.625,477 3.071,478 2.146,479 1.18,480 0.944,481 0.866,482 0.498,483 30294,484 68398,485 2.062,486 51.7,487 12,488 23,491 1,493 3,494 6,495 1.813,496 1.924,497 3.856,498 -0.361,500 137.558,501 1.581,502 3.209,503 4.69,504 5.512,505 5.621,506 5.69,507 3.387,508 4.803,509 5.356,510 4.083,511 3515.65,512 9.483,513 62726.9,516 560.536,517 1.565,518 5.311,519 0.207,520 0.006,521 0.091,522 0.05,523 0.043,524 0.03,525 0.017,526 0.013,527 0.014,528 0.009,529 0.479,530 0.33,531 0.5,532 0.739,533 240.585,534 0.125,535 -0.196,536 0.259,537 -0.1,538 -0.096,539 0.014,540 0.168,541 0.013,542 0.052,543 0.045,544 0.246,545 0.003,546 -0.045,547 -0.038,548 0.031,549 -0.013,550 0.009,551 0.019,552 0.019,553 -0.005,554 -0.064,555 -0.048,556 -0.009,557 -0.047,558 -0.062,559 0.024,560 0.009,561 0.01,562 -0.084,563 0.038,565 0.053,566 0.026,567 0.041,568 -0.103,569 0.011,570 0.137,571 -0.072,572 -0.003,573 -0.053,574 0.263,575 -0.061,576 -0.075,577 -0.02,578 0.011,579 -0.005,580 -0.026,581 0.014,582 4.989,583 7.216,584 0.667,585 58,586 1,587 1.13,588 2.765,589 7.644,590 0.644,591 3.85,592 4.205,593 4.489,594 4.745,595 4.997,596 5.075,597 5.215,598 5.288,599 5.438,600 5.46,601 8.966,602 0.595,603 619.93,604 3.85,605 5.416,606 6.279,607 7.177,608 8.061,609 8.967,610 9.861,611 10.773,612 11.673,613 12.59,614 3.4,616 1,617 1,619 1,624 7,627 5,628 12,632 2,634 87,635 16,636 2,637 46,638 91,639 31,640 12,641 5,642 7,644 5,645 6,652 11,653 1,654 12,655 12,656 19,657 1,658 4,659 2,660 4,665 45,666 9,667 1,668 11,669 2,670 3,672 0.8,673 6,680 5,682 1,687 1,692 4,694 2,695 2,698 42,700 2,702 14,703 1,704 2,706 3,707 2,711 6.9,714 4,716 2,717 21.833,718 15.567,719 9.236,720 5.606,721 2.187,722 1.254,723 0.967,724 10.423,725 10.814,726 4.043,727 4.615,728 5.043,729 5.514,730 5.969,731 6.157,732 6.443,733 6.605,734 6.891,735 7.058,736 0.909,737 73,738 16.403,739 7.712,740 7.754,741 30.982,742 27.083,743 2.254,744 94.667,748 517.928,749 150.257,750 21.048,752 110.626,754 11.615,755 138.642,756 628.554,757 21.048,758 21.766,759 32.562,760 95.959,761 88.626,762 43.017,764 517.928,766 517.928,767 159.69,768 110.626,769 11.615,770 411.989,771 216.566,773 52.091,774 107.598,775 11.615,777 517.928,778 131.674,779 150.257,780 11.615,781 517.928,782 50.542,783 91.137,784 18.011,785 110.626,786 517.928,787 131.674,788 150.257,789 0.586,790 0.35,791 0.186,792 0.104,793 31,794 14,795 0.121,796 11,797 1,798 1.071,799 4.964,800 436.972,801 0.071,802 28,803 214.477,805 2,806 31.589,807 13.858,808 7.293,810 131.674,811 12.087,814 2.215,815 18.011,816 799.859,817 56,818 -7.603,819 55.406,822 86.978,823 98.311,824 0.245,825 0.498,826 0.728,827 0.855,828 0.872,829 0.883,830 5.328,831 2.051,832 6.308,833 6.754,834 4.89,835 5.303,836 1.593,837 7.204,838 4.794,839 6.543,840 1.698,841 7.93,842 6.082,843 4.691,844 5.491,846 8.552,847 4.499,848 7.906,849 1.656,850 9.676,851 4.986,852 6.619,853 7.597,854 1.206,855 11.641,856 6.402,857 9.316,858 1.478,859 11.502,860 4.716,861 7.266,862 8.637,864 13.841,865 6.93,866 10.771,867 1.429,868 13.383,869 3.492,870 8.716,871 10.334,872 0.972,873 16.585,874 8.346,875 12.257,876 1.305,877 15.302,878 3.143,879 9.72,880 11.686,882 19.077,883 9.233,884 13.767,885 1,886 17.248,887 3.039,888 11.02,889 13.272,890 0.789,891 21.745,892 10.479,893 3.626,894 1,895 19.216,896 2.275,897 12.173,898 14.739,900 24.338,901 11.526,902 3.375,903 14.542,904 21.199,905 2.136,906 13.433,907 16.294,908 0.634,909 26.992,910 12.717,911 2.948,912 12.407,913 23.195,914 4.821,915 14.648,916 17.807,918 29.624,919 13.836,920 2.593,921 10.237,922 25.201,923 4.555,924 15.902,925 19.356,926 0.504,927 32.279,928 15.013,929 2.59,930 8.15,931 27.214,932 3.858,933 17.145,934 20.89,936 34.929,937 16.166,938 2.41,939 7.227,940 29.234,941 3.602,942 18.403,943 22.439,944 0.395,945 37.589,946 17.343,947 2.285,948 7.126,949 31.258,950 2.709,951 19.659,952 23.983,954 40.248,955 18.514,956 28596,957 43525,958 30.394,959 56.029,960 68.456,961 71.513,962 71.213,963 68.977,964 69.003,965 83.286,966 5.84,967 205.713,968 65.824,969 6.004,970 6.758,971 7.645,972 5.638,973 5.626,974 7.821,975 1.72,976 23.232,977 5.353,978 21.449,979 1.488,980 1.555,981 1.548,982 1.5,983 1.5,984 1.811,985 0.127,986 4.472,987 1.431,988 4.156,989 4.153,990 4.756,991 4.117,992 7.718,993 4.047,994 4.028,995 4.025,996 4.719,997 3.985,998 7.711,999 3.88,1000 3.911,1001 3.941,1002 3.873,1003 3.851,1004 6.999,1005 3.835,1006 3.888,1007 3.922,1008 3.777,1009 3.783,1010 6.999,1011 3.759,1012 3.714,1013 3.754,1014 3.733,1015 3.598,1016 4.903,1017 3.573,1018 3.632,1019 3.619,1020 3.612,1021 3.536,1022 4.738,1023 3.476,1024 3.483,1025 3.505,1026 3.405,1027 3.373,1028 4.573,1029 3.328,1030 3.326,1031 3.407,1032 3.149,1033 3.15,1034 4.409,1035 3.134,1036 0.109,1037 0.103,1038 0.17,1039 0.099,1040 0.079,1041 5.004,1042 0.105,1043 4.758,1044 0.019,1045 7.843,1046 0.316,1047 4.555,1048 0.073,1049 3.626,1050 4.821,1051 0.86,1052 14.542,1053 3.353,1054 2.025,1055 2.022,1056 2.12,1057 2.122,1058 1.517,1059 2.148,1060 1.916,1061 1.898,1062 2.098,1063 2.071,1064 1.468,1065 2.095,1066 1.893,1067 1.871,1068 2.016,1069 2.009,1070 1.399,1071 2.045,1072 1.864,1073 1.831,1074 1.944,1075 1.98,1076 1.174,1077 1.99,1078 1.689,1079 1.65,1080 1.846,1081 1.824,1082 1.136,1083 1.867,1084 1.504,1085 1.504,1086 1.646,1087 1.667,1088 0.969,1089 1.701,1090 1.382,1091 1.39,1092 1.607,1093 1.586,1094 0.901,1095 1.612,1096 1.331,1097 1.252,1098 1.589,1099 1.543,1100 0.825,1101 1.58,1102 4.533,1104 5.878,1106 7.432,1108 9.079,1110 10.778,1111 2.938,1116 11.58,1117 3.698,1118 10.713,1120 0.604,1121 3.029,1123 51.79,1124 137.558,1125 279.199,1126 408.052,1127 479.517,1128 489.026,1129 495.026,1130 127.473,1131 8.627,1132 105.25,1133 122.01,1134 30,1135 13.104,1136 4.087,1137 3.459,1138 68.924,1139 219,1140 284,1141 0.147,1142 320.224,1143 568.18,1144 773.106,1145 84962,1147 29.744,1148 0.708,1149 0.63,1150 30.244,1151 26.466,1152 20.224,1153 0.44,1154 0.399,1155 15.34,1156 17.919,1157 14.733,1158 12.16,1159 21.834,1160 18.332,1161 18.581,1162 0.282,1163 0.238,1164 21.168,1165 15.701,1166 15.672,1167 0.178,1168 0.148,1169 18.086,1170 13.001,1171 12.859,1172 0.113,1173 0.09,1174 15.235,1175 10.215,1176 10.611,1177 0.072,1178 0.055,1179 12.784,1180 8.145,1181 0.235,1182 143.156,1183 0.181,1184 37.478,1185 0.397,1186 224,1187 627.757,1188 322.023,1189 630.714,1190 851.07,1191 582,1192 266,1193 563.937,1194 384.722,1195 638.517,1196 935.17,1197 597,1198 7.678} {0 CHEMBL1204403,1 1.581,2 16.048,3 5.21,4 27.144,5 166.84,6 7.126,7 0.261,8 4.545,9 4.653,10 4.262,11 4.093,12 5.432,13 4.021,14 5.184,15 5.361,16 4.554,17 4.53,18 6.283,19 4.431,20 5.51,21 5.731,22 4.714,23 4.758,24 6.401,25 4.619,26 5.644,27 5.864,28 4.739,29 4.8,30 6.691,31 4.655,32 5.66,33 5.894,34 4.711,35 4.785,36 6.682,37 4.64,38 5.624,39 5.844,40 4.727,41 4.761,42 6.661,43 4.632,44 5.607,45 5.829,46 4.684,47 4.777,48 6.757,49 4.636,50 5.657,51 5.912,52 4.596,53 4.749,54 6.565,55 4.581,56 0.136,57 1.285,58 26.845,59 9.502,60 24.798,61 12.093,62 0.691,63 2.148,64 45.888,65 16.42,66 98.662,67 21.266,68 0.524,69 2.836,70 70.533,71 23.351,72 71.411,73 29.663,74 1.179,75 3.043,76 83.195,77 25.753,78 148.955,79 32.252,80 1.047,81 2.987,82 87.165,83 26.513,84 156.583,85 32.929,86 1.382,87 2.87,88 78.781,89 24.09,90 180.139,91 30.911,92 1.093,93 2.918,94 73.457,95 24.749,96 209.864,97 32.133,98 0.837,99 2.954,100 81.466,101 25.685,102 121.483,103 33.247,104 41,105 66,106 0.237,107 0.482,108 0.704,109 0.828,110 0.844,111 0.855,112 3.765,113 1.196,114 -3.99,115 -3.95,116 -3.74,117 35.6,119 10,120 1,122 2,123 4,124 2,126 7,127 1,128 4,139 13,140 6,141 9,145 3,147 15,151 11,155 2,157 10,159 4,160 20,162 1,164 2,166 7,168 3,169 9,173 1,175 13,177 3,178 10,180 2,184 16,186 6,187 13,191 1,193 11,197 18,203 4,206 3,207 21,209 1,211 1,213 5,216 4032,217 28.313,218 28.313,219 28.313,220 28.313,221 28.313,222 26.306,223 38.11,224 16.48,225 29.112,226 22.559,227 22.559,228 22.559,229 22.559,230 22.559,231 19.214,232 59.237,233 7.619,234 23.678,235 4.862,236 3.234,237 1.753,238 0.931,239 0.822,240 0.753,241 4.465,244 1,245 1459,246 4.796,250 675.745,252 214.69,253 2.29,254 64.634,256 0.75,257 0.5,258 0.67,259 0.9,260 1,261 0.67,262 0.5,263 0.71,264 91.5,265 674,266 5.004,267 4.758,268 7.843,269 4.555,270 3.626,271 4.821,272 0.86,273 14.542,274 3.353,275 4.792,276 4.513,277 7.293,278 4.305,279 3.375,280 4.555,281 0.86,282 12.407,283 3.118,284 4.271,285 3.267,286 6.592,287 3.906,288 2.948,289 3.858,290 0.4,291 10.237,292 2.813,293 4.011,294 2.916,295 5.918,296 3.57,297 2.593,298 3.602,299 0.4,300 8.15,301 2.539,302 3.603,303 2.767,304 5.541,305 3.553,306 2.59,307 2.709,308 0.4,309 7.227,310 2.49,311 3.478,312 2.571,313 5.433,314 3.391,315 2.41,316 2.606,318 7.126,319 2.355,320 3.425,321 2.516,322 5.269,323 3.251,324 2.285,325 2.453,327 6.754,328 2.201,329 3.326,330 2.434,331 5.159,332 2.981,333 2.051,334 2.424,336 6.082,337 1.896,338 2.948,339 2.211,340 4.835,341 2.631,342 1.698,343 2.091,345 4.986,346 1.606,347 2.863,348 1.93,349 4.72,350 2.62,351 1.656,352 1.983,354 4.716,355 1.568,356 2.785,357 1.539,358 4.28,359 2.466,360 1.478,361 1.874,363 3.492,364 1.453,365 2.773,366 1.518,367 3.701,368 2.418,369 1.429,370 1.777,372 3.143,373 1.409,374 2.482,375 1.429,376 3.64,377 2.281,378 1.305,379 1.481,381 3.039,382 1.269,383 2.016,384 1.087,385 3.568,386 2,387 1,388 1,390 2.275,391 1,392 2,393 1.077,394 3.414,395 1.984,396 1,397 1,399 2.136,400 0.983,401 20.367,402 0.485,403 1.12,404 0.027,405 46,406 1.095,407 19.5,408 0.464,409 26.5,410 0.631,411 51.965,412 1.237,413 49.233,414 0.566,415 40.907,416 0.974,417 7.677,418 0.183,419 12.547,420 0.299,421 0.115,422 0.082,423 0.236,425 0.565,426 1.518,427 0.891,428 1.405,429 0.622,430 1.133,431 0.799,432 1.153,433 0.942,434 1.016,435 0.535,436 1.025,437 0.913,438 1.144,439 1.101,440 1.132,441 0.799,442 1.008,443 1.138,444 1.066,445 1.243,446 1.15,447 1.317,448 1.041,449 1.217,450 0.981,451 1.122,452 1.056,453 1.536,454 0.952,455 1.266,456 0.95,457 1.019,458 0.966,459 1.513,460 0.963,461 0.884,462 1.099,463 1,464 1.065,465 0.82,466 1.06,467 1.074,468 1.003,469 1.044,470 1.019,471 1.007,472 0.97,473 9.5,474 0.28,475 6,476 3.625,477 3.071,478 2.146,479 1.18,480 0.944,481 0.866,482 0.498,483 30294,484 68398,485 2.062,486 51.7,487 12,488 23,491 1,493 3,494 6,495 1.813,496 1.924,497 3.856,498 -0.361,500 137.558,501 1.581,502 3.209,503 4.69,504 5.512,505 5.621,506 5.69,507 3.387,508 4.803,509 5.356,510 4.083,511 3515.65,512 9.483,513 62726.9,516 560.536,517 1.565,518 5.311,519 0.207,520 0.006,521 0.091,522 0.05,523 0.043,524 0.03,525 0.017,526 0.013,527 0.014,528 0.009,529 0.479,530 0.33,531 0.5,532 0.739,533 240.585,534 0.125,535 -0.196,536 0.259,537 -0.1,538 -0.096,539 0.014,540 0.168,541 0.013,542 0.052,543 0.045,544 0.246,545 0.003,546 -0.045,547 -0.038,548 0.031,549 -0.013,550 0.009,551 0.019,552 0.019,553 -0.005,554 -0.064,555 -0.048,556 -0.009,557 -0.047,558 -0.062,559 0.024,560 0.009,561 0.01,562 -0.084,563 0.038,565 0.053,566 0.026,567 0.041,568 -0.103,569 0.011,570 0.137,571 -0.072,572 -0.003,573 -0.053,574 0.263,575 -0.061,576 -0.075,577 -0.02,578 0.011,579 -0.005,580 -0.026,581 0.014,582 4.989,583 7.216,584 0.667,585 58,586 1,587 1.13,588 2.765,589 7.644,590 0.644,591 3.85,592 4.205,593 4.489,594 4.745,595 4.997,596 5.075,597 5.215,598 5.288,599 5.438,600 5.46,601 8.966,602 0.595,603 619.93,604 3.85,605 5.416,606 6.279,607 7.177,608 8.061,609 8.967,610 9.861,611 10.773,612 11.673,613 12.59,614 3.4,616 1,617 1,619 1,624 7,627 5,628 12,632 2,634 87,635 16,636 2,637 46,638 91,639 31,640 12,641 5,642 7,644 5,645 6,652 11,653 1,654 12,655 12,656 19,657 1,658 4,659 2,660 4,665 45,666 9,667 1,668 11,669 2,670 3,672 0.8,673 6,680 5,682 1,687 1,692 4,694 2,695 2,698 42,700 2,702 14,703 1,704 2,706 3,707 2,711 6.9,714 4,716 2,717 21.833,718 15.567,719 9.236,720 5.606,721 2.187,722 1.254,723 0.967,724 10.423,725 10.814,726 4.043,727 4.615,728 5.043,729 5.514,730 5.969,731 6.157,732 6.443,733 6.605,734 6.891,735 7.058,736 0.909,737 73,738 16.403,739 7.712,740 7.754,741 30.982,742 27.083,743 2.254,744 94.667,748 517.928,749 150.257,750 21.048,752 110.626,754 11.615,755 138.642,756 628.554,757 21.048,758 21.766,759 32.562,760 95.959,761 88.626,762 43.017,764 517.928,766 517.928,767 159.69,768 110.626,769 11.615,770 411.989,771 216.566,773 52.091,774 107.598,775 11.615,777 517.928,778 131.674,779 150.257,780 11.615,781 517.928,782 50.542,783 91.137,784 18.011,785 110.626,786 517.928,787 131.674,788 150.257,789 0.586,790 0.35,791 0.186,792 0.104,793 31,794 14,795 0.121,796 11,797 1,798 1.071,799 4.964,800 436.972,801 0.071,802 28,803 214.477,805 2,806 31.589,807 13.858,808 7.293,810 131.674,811 12.087,814 2.215,815 18.011,816 799.859,817 56,818 -7.603,819 55.406,822 86.978,823 98.311,824 0.245,825 0.498,826 0.728,827 0.855,828 0.872,829 0.883,830 5.328,831 2.051,832 6.308,833 6.754,834 4.89,835 5.303,836 1.593,837 7.204,838 4.794,839 6.543,840 1.698,841 7.93,842 6.082,843 4.691,844 5.491,846 8.552,847 4.499,848 7.906,849 1.656,850 9.676,851 4.986,852 6.619,853 7.597,854 1.206,855 11.641,856 6.402,857 9.316,858 1.478,859 11.502,860 4.716,861 7.266,862 8.637,864 13.841,865 6.93,866 10.771,867 1.429,868 13.383,869 3.492,870 8.716,871 10.334,872 0.972,873 16.585,874 8.346,875 12.257,876 1.305,877 15.302,878 3.143,879 9.72,880 11.686,882 19.077,883 9.233,884 13.767,885 1,886 17.248,887 3.039,888 11.02,889 13.272,890 0.789,891 21.745,892 10.479,893 3.626,894 1,895 19.216,896 2.275,897 12.173,898 14.739,900 24.338,901 11.526,902 3.375,903 14.542,904 21.199,905 2.136,906 13.433,907 16.294,908 0.634,909 26.992,910 12.717,911 2.948,912 12.407,913 23.195,914 4.821,915 14.648,916 17.807,918 29.624,919 13.836,920 2.593,921 10.237,922 25.201,923 4.555,924 15.902,925 19.356,926 0.504,927 32.279,928 15.013,929 2.59,930 8.15,931 27.214,932 3.858,933 17.145,934 20.89,936 34.929,937 16.166,938 2.41,939 7.227,940 29.234,941 3.602,942 18.403,943 22.439,944 0.395,945 37.589,946 17.343,947 2.285,948 7.126,949 31.258,950 2.709,951 19.659,952 23.983,954 40.248,955 18.514,956 28596,957 43525,958 30.394,959 56.029,960 68.456,961 71.513,962 71.213,963 68.977,964 69.003,965 83.286,966 5.84,967 205.713,968 65.824,969 6.004,970 6.758,971 7.645,972 5.638,973 5.626,974 7.821,975 1.72,976 23.232,977 5.353,978 21.449,979 1.488,980 1.555,981 1.548,982 1.5,983 1.5,984 1.811,985 0.127,986 4.472,987 1.431,988 4.156,989 4.153,990 4.756,991 4.117,992 7.718,993 4.047,994 4.028,995 4.025,996 4.719,997 3.985,998 7.711,999 3.88,1000 3.911,1001 3.941,1002 3.873,1003 3.851,1004 6.999,1005 3.835,1006 3.888,1007 3.922,1008 3.777,1009 3.783,1010 6.999,1011 3.759,1012 3.714,1013 3.754,1014 3.733,1015 3.598,1016 4.903,1017 3.573,1018 3.632,1019 3.619,1020 3.612,1021 3.536,1022 4.738,1023 3.476,1024 3.483,1025 3.505,1026 3.405,1027 3.373,1028 4.573,1029 3.328,1030 3.326,1031 3.407,1032 3.149,1033 3.15,1034 4.409,1035 3.134,1036 0.109,1037 0.103,1038 0.17,1039 0.099,1040 0.079,1041 5.004,1042 0.105,1043 4.758,1044 0.019,1045 7.843,1046 0.316,1047 4.555,1048 0.073,1049 3.626,1050 4.821,1051 0.86,1052 14.542,1053 3.353,1054 2.025,1055 2.022,1056 2.12,1057 2.122,1058 1.517,1059 2.148,1060 1.916,1061 1.898,1062 2.098,1063 2.071,1064 1.468,1065 2.095,1066 1.893,1067 1.871,1068 2.016,1069 2.009,1070 1.399,1071 2.045,1072 1.864,1073 1.831,1074 1.944,1075 1.98,1076 1.174,1077 1.99,1078 1.689,1079 1.65,1080 1.846,1081 1.824,1082 1.136,1083 1.867,1084 1.504,1085 1.504,1086 1.646,1087 1.667,1088 0.969,1089 1.701,1090 1.382,1091 1.39,1092 1.607,1093 1.586,1094 0.901,1095 1.612,1096 1.331,1097 1.252,1098 1.589,1099 1.543,1100 0.825,1101 1.58,1102 4.533,1104 5.878,1106 7.432,1108 9.079,1110 10.778,1111 2.938,1116 11.58,1117 3.698,1118 10.713,1120 0.604,1121 3.029,1123 51.79,1124 137.558,1125 279.199,1126 408.052,1127 479.517,1128 489.026,1129 495.026,1130 127.473,1131 8.627,1132 105.25,1133 122.01,1134 30,1135 13.104,1136 4.087,1137 3.459,1138 68.924,1139 219,1140 284,1141 0.147,1142 320.224,1143 568.18,1144 773.106,1145 84962,1147 29.744,1148 0.708,1149 0.63,1150 30.244,1151 26.466,1152 20.224,1153 0.44,1154 0.399,1155 15.34,1156 17.919,1157 14.733,1158 12.16,1159 21.834,1160 18.332,1161 18.581,1162 0.282,1163 0.238,1164 21.168,1165 15.701,1166 15.672,1167 0.178,1168 0.148,1169 18.086,1170 13.001,1171 12.859,1172 0.113,1173 0.09,1174 15.235,1175 10.215,1176 10.611,1177 0.072,1178 0.055,1179 12.784,1180 8.145,1181 0.235,1182 143.156,1183 0.181,1184 37.478,1185 0.397,1186 224,1187 627.757,1188 322.023,1189 630.714,1190 851.07,1191 582,1192 266,1193 563.937,1194 384.722,1195 638.517,1196 935.17,1197 597,1198 6.058} {0 CHEMBL1223814,1 1.523,2 13.971,3 2.665,4 7.104,5 133.265,6 7.114,7 0.308,8 4.302,9 4.421,10 3.837,11 3.807,12 5.315,13 3.789,14 4.874,15 5.056,16 4.135,17 4.169,18 5.862,19 4.124,20 5.122,21 5.346,22 4.213,23 4.297,24 6.094,25 4.228,26 5.132,27 5.366,28 4.184,29 4.281,30 6.147,31 4.208,32 5.114,33 5.336,34 4.261,35 4.29,36 6.278,37 4.225,38 5.118,39 5.328,40 4.185,41 4.287,42 6.184,43 4.219,44 5.104,45 5.322,46 4.141,47 4.249,48 6.18,49 4.185,50 4.985,51 5.181,52 4.088,53 4.231,54 6.063,55 4.149,56 0.016,57 0.981,58 14.688,59 6.251,60 7.016,61 8.394,62 0.387,63 1.567,64 28.853,65 9.937,66 32.094,67 13.883,68 0.564,69 1.867,70 38.843,71 12.624,72 52.511,73 18.031,74 0.548,75 1.859,76 39.465,77 12.531,78 63.244,79 18.131,80 0.737,81 1.8,82 38.568,83 13.183,84 98.578,85 18.615,86 0.438,87 1.79,88 38.508,89 13.166,90 69.091,91 18.062,92 0.693,93 1.757,94 38.818,95 12.092,96 80.718,97 16.826,98 0.442,99 1.656,100 32.719,101 11.825,102 63.491,103 16.373,104 5,105 53,106 0.241,107 0.55,108 0.738,109 0.84,110 0.846,111 0.846,112 3.588,113 0.959,114 -3.76,115 -3.73,116 -3.54,117 40.3,119 3,120 1,123 8,126 8,127 2,128 2,134 3,139 11,140 2,141 10,143 1,145 1,147 8,150 2,151 10,153 1,155 2,157 5,159 2,160 8,166 4,168 5,169 12,171 2,173 2,175 8,178 9,182 3,184 8,186 1,187 12,191 3,193 8,196 1,197 8,199 1,201 2,203 9,206 3,207 4,213 10,216 2560,217 24.206,218 24.206,219 24.206,220 24.206,221 24.206,222 22.389,223 30.023,224 14.661,225 24.768,226 19.309,227 19.309,228 19.309,229 19.309,230 19.309,231 16.411,232 37.422,233 7.061,234 20.168,235 4.543,236 2.59,237 1.4,238 0.758,239 0.716,240 0.716,241 4.292,244 1,245 1078,246 3.808,247 68.649,250 441.416,252 169.713,253 2.261,254 38.329,256 1,257 0.67,258 0.83,259 1,260 1,261 1,262 1,263 0.93,264 76,265 489,266 4.565,267 3.843,268 6.863,269 4.227,270 3.261,271 4.155,272 1.961,273 11.411,274 3.152,275 4.126,276 3.548,277 6.24,278 3.743,279 2.765,280 3.679,281 1.253,282 9.263,283 2.705,284 3.794,285 3.041,286 5.641,287 3.668,288 2.674,289 3.118,290 0.86,291 7.473,292 2.656,293 3.688,294 2.928,295 5.501,296 3.443,297 2.523,298 2.862,299 0.86,300 7.342,301 2.396,302 3.559,303 2.876,304 5.341,305 3.422,306 2.442,307 2.659,308 0.8,309 6.967,310 2.308,311 3.518,312 2.662,313 5.255,314 3.242,315 2.278,316 2.614,317 0.78,318 6.653,319 2.19,320 3.396,321 2.525,322 5.002,323 3.024,324 2.052,325 2.529,326 0.305,327 5.823,328 1.968,329 3.303,330 2.173,331 4.784,332 2.823,333 1.843,334 2.513,335 0.113,336 5.049,337 1.799,338 2.741,339 2.14,340 3.956,341 2.528,342 1.608,343 1.826,345 3.339,346 1.477,347 2.632,348 1.688,349 3.727,350 2.32,351 1.335,352 1.634,354 3.172,355 1.313,356 2.504,357 1.536,358 3.549,359 2.189,360 1.3,361 1.5,363 2.78,364 1.141,365 2.5,366 1.345,367 3.483,368 2,369 1,370 1.435,372 2.372,373 1,374 2.329,375 1.299,376 3.406,377 1.952,378 1,379 1.315,381 2.136,382 0.946,383 2.001,384 1.256,385 3.247,386 1.933,387 0.939,388 1,390 2.136,391 0.928,392 2,393 1.114,394 3.247,395 1.8,396 0.833,397 0.891,399 1.969,400 0.801,401 16.433,402 0.47,403 0.674,404 0.019,405 41,406 1.171,407 17.5,408 0.5,409 23.5,410 0.671,411 32.757,412 0.936,413 38.767,414 0.579,415 33.588,416 0.96,417 7.935,418 0.227,419 9.235,420 0.264,421 0.041,423 0.292,425 0.765,426 1.465,427 0.804,428 1.217,429 0.543,430 1.043,431 1.074,432 1.156,433 1.02,434 1.047,435 0.646,436 1.02,437 1.117,438 1.032,439 0.965,440 0.932,441 0.964,442 0.922,443 1.103,444 0.988,445 0.963,446 0.917,447 1.217,448 0.907,449 0.788,450 0.939,451 0.803,452 0.937,453 0.958,454 0.883,455 1.332,456 1.107,457 1.024,458 1.048,459 1.515,460 1.001,461 1.493,462 0.888,463 1.092,464 0.838,465 1.638,466 0.885,467 1.004,468 1.17,469 1.106,470 1.174,471 1.384,472 1.158,473 5.5,474 0.164,475 3.167,476 1.722,477 2.106,478 1.216,479 0.754,480 0.523,481 0.365,482 0.25,483 20038,484 45983,485 2.158,486 47.8,487 4,488 24,491 1,493 1,494 2,495 1.769,496 2.079,497 3.713,498 -0.373,500 102.046,501 1.523,502 3.476,503 4.666,504 5.309,505 5.35,506 5.35,507 3.237,508 4.651,509 5.089,510 3.939,511 2343.41,512 8.957,513 37483,516 406.428,517 1.15,518 5.086,519 0.141,520 0.005,521 0.063,522 0.032,523 0.041,524 0.022,525 0.015,526 0.011,527 0.008,528 0.006,529 0.345,530 0.33,531 0.75,532 0.383,533 190.738,534 -0.017,535 -0.23,536 0.073,537 -0.094,538 0.004,539 -0.012,540 -0.037,541 -0.021,542 -0.059,543 -0.04,544 0.022,545 -0.053,546 -0.041,547 0.002,548 0.028,549 0.04,550 -0.017,551 0.042,552 -0.049,553 0.04,554 0.033,555 0.043,556 -0.019,557 0.054,558 0.282,559 0.066,560 0.188,561 0.055,562 0.319,563 0.098,564 -0.139,565 -0.114,566 -0.026,567 -0.047,568 -0.086,569 -0.024,570 -0.172,571 0.12,572 -0.068,573 0.121,574 -0.148,575 0.06,576 -0.007,577 -0.11,578 -0.148,579 -0.149,580 -0.077,581 -0.167,582 1.908,583 6.566,584 0.714,585 48.563,586 1.001,587 1.129,588 2.533,589 6.416,590 0.649,591 3.689,592 3.989,593 4.22,594 4.477,595 4.762,596 4.836,597 5.004,598 5.17,599 5.298,600 5.347,601 8.167,602 0.617,603 476.63,604 3.689,605 5.22,606 6.066,607 6.934,608 7.801,609 8.679,610 9.558,611 10.443,612 11.33,613 12.221,614 6,617 1,620 2,621 1,624 8,627 4,628 12,629 1,632 1,634 67,635 15,636 2,637 39,638 71,639 27,640 12,641 4,642 8,643 2,644 5,645 6,652 2,653 1,654 3,655 15,656 12,657 1,658 3,660 2,661 1,662 3,665 32,666 8,667 1,668 8,670 4,671 1,672 0.8,673 4,677 1,680 4,682 1,684 1,688 1,691 1,692 4,698 35,702 11,703 1,704 2,706 1,707 2,711 6,714 2,715 1,716 1,717 16.833,718 11.767,719 7.722,720 4.281,721 2.515,722 1.311,723 0.982,724 7.772,725 10.597,726 3.892,727 4.382,728 4.868,729 5.389,730 5.955,731 6.209,732 6.648,733 7.033,734 7.427,735 7.665,736 1,737 53,738 13.089,739 5.65,740 7.671,741 25.376,742 21.288,743 2.171,744 76,748 364.904,749 133.828,750 41.045,752 72.29,755 133.828,756 437.194,757 41.045,759 53.044,760 75.81,761 73.027,762 45.281,764 364.904,766 364.904,767 174.873,768 72.29,770 329.591,771 96.603,772 11,773 72.954,774 101.919,777 364.904,778 113.335,779 133.828,781 364.904,782 58.018,783 82.059,784 18.011,785 89.075,786 364.904,787 113.335,788 133.828,789 0.572,790 0.317,791 0.172,792 0.1,793 25,794 10,795 0.141,796 10,797 1,798 1.08,799 4.752,800 328.834,801 0.08,802 25,803 169.525,806 23.989,807 11.34,808 6.487,810 113.335,811 14.929,814 2.468,815 18.011,816 612.066,817 48,819 26.219,820 4.775,821 0.075,822 67.087,823 75.644,824 0.251,825 0.573,826 0.769,827 0.875,828 0.882,829 0.882,830 5.136,831 1.843,832 6.023,833 5.823,834 4.673,835 5.069,836 2.762,837 6.806,838 4.596,839 6.296,840 1.608,841 7.56,842 5.049,843 4.205,844 4.745,845 1.738,846 7.692,847 4.123,848 7.576,849 1.335,850 9.2,851 3.339,852 6.244,853 7.102,854 3.35,855 10.787,856 6.1,857 8.888,858 1.3,859 10.905,860 3.172,861 6.594,862 7.6,863 3.184,864 12.528,865 6.448,866 10.234,867 1,868 12.652,869 2.78,870 8.096,871 9.455,872 4.341,873 15.172,874 7.895,875 11.605,876 1,877 14.43,878 2.372,879 8.842,880 10.362,881 4.602,882 17.287,883 8.63,884 12.997,885 0.939,886 16.232,887 2.136,888 10.122,889 11.996,890 5.532,891 19.785,892 9.865,893 3.261,894 0.833,895 18.051,896 2.136,897 11.072,898 13.129,899 5.994,900 22.071,901 10.795,902 2.765,903 11.411,904 19.886,905 1.969,906 12.264,907 14.654,908 6.807,909 24.52,910 11.947,911 2.674,912 9.263,913 21.733,914 4.155,915 13.32,916 15.912,917 7.368,918 26.884,919 12.975,920 2.523,921 7.473,922 23.592,923 3.679,924 14.482,925 17.382,926 8.119,927 29.317,928 14.101,929 2.442,930 7.342,931 25.459,932 3.118,933 15.593,934 18.709,935 8.731,936 31.717,937 15.179,938 2.278,939 6.967,940 27.334,941 2.862,942 16.75,943 20.151,944 9.448,945 34.146,946 16.301,947 2.052,948 6.653,949 29.217,950 2.659,951 17.89,952 21.518,953 10.088,954 36.562,955 17.405,956 18539,957 28278,958 26.929,959 43.5,960 58.267,961 60.227,962 58.377,963 57.37,964 57.386,965 69.434,966 13.862,967 159.835,968 55.141,969 5.565,970 5.843,971 6.664,972 5.331,973 5.261,974 7.155,975 3.436,976 19.03,977 5.152,978 10.807,979 1.494,980 1.544,981 1.497,982 1.471,983 1.471,984 1.78,985 0.355,986 4.098,987 1.414,988 4.046,989 4.076,990 4.009,991 3.943,992 7.433,993 3.954,994 3.91,995 3.963,996 3.79,997 3.802,998 7.423,999 3.79,1000 3.853,1001 3.889,1002 3.783,1003 3.793,1004 4.913,1005 3.788,1006 3.815,1007 3.867,1008 3.694,1009 3.607,1010 4.748,1011 3.618,1012 3.614,1013 3.657,1014 3.536,1015 3.401,1016 4.627,1017 3.429,1018 3.506,1019 3.561,1020 3.367,1021 3.312,1022 4.495,1023 3.311,1024 3.311,1025 3.359,1026 3.227,1027 3.094,1028 4.337,1029 3.124,1030 3.111,1031 3.206,1032 3.016,1033 2.941,1034 4.129,1035 2.916,1036 0.117,1037 0.099,1038 0.176,1039 0.108,1040 0.084,1041 4.565,1042 0.107,1043 3.843,1044 0.05,1045 6.863,1046 0.293,1047 4.227,1048 0.081,1049 3.261,1050 4.155,1051 1.961,1052 11.411,1053 3.152,1054 1.971,1055 1.947,1056 2.051,1057 2.089,1058 1.291,1059 2.074,1060 1.854,1061 1.83,1062 1.986,1063 1.995,1064 1.158,1065 1.994,1066 1.752,1067 1.69,1068 1.95,1069 1.932,1070 1.082,1071 1.943,1072 1.59,1073 1.537,1074 1.786,1075 1.833,1076 1.074,1077 1.818,1078 1.496,1079 1.437,1080 1.765,1081 1.723,1082 1.035,1083 1.738,1084 1.379,1085 1.32,1086 1.593,1087 1.585,1088 0.83,1089 1.592,1090 1.153,1091 1.087,1092 1.513,1093 1.376,1094 0.825,1095 1.429,1096 1.153,1097 1.064,1098 1.513,1099 1.376,1100 0.825,1101 1.429,1102 4.369,1103 1.946,1104 5.673,1105 3.714,1106 7.177,1107 5.416,1108 8.776,1109 7.086,1110 10.43,1116 8.819,1117 2.957,1118 11.344,1120 0.571,1121 3.845,1123 41.32,1124 102.046,1125 232.876,1126 312.654,1127 355.673,1128 358.428,1129 358.428,1130 68.135,1131 8.082,1132 85.69,1133 85.69,1134 27,1135 12.75,1136 4,1137 3.322,1138 52.142,1139 166,1140 201,1141 0.148,1142 249.612,1143 447.46,1144 600.814,1145 38705,1147 24.037,1148 0.687,1149 0.57,1150 24.037,1151 19.949,1152 17.17,1153 0.44,1154 0.32,1155 12.275,1156 16.434,1157 12.083,1158 9.901,1159 17.17,1160 12.468,1161 15.074,1162 0.284,1163 0.175,1164 15.074,1165 9.275,1166 12.238,1167 0.183,1168 0.093,1169 12.238,1170 6.247,1171 10.017,1172 0.115,1173 0.048,1174 10.017,1175 4.209,1176 8.633,1177 0.074,1178 0.025,1179 8.633,1180 2.923,1181 0.234,1182 108.094,1183 0.193,1184 32.639,1185 0.397,1186 184,1187 532.21,1188 203.509,1189 500.118,1190 680.53,1191 472,1192 215,1193 489.504,1194 235.319,1195 489.985,1196 722.91,1197 463,1198 6.678} {0 CHEMBL1253499,1 1.604,2 14.143,3 6.012,4 36.147,5 164.598,6 8.282,7 0.522,8 4.382,9 4.481,10 4.04,11 3.97,12 5.514,13 3.945,14 4.92,15 5.076,16 4.443,17 4.378,18 5.996,19 4.341,20 5.15,21 5.296,22 4.632,23 4.588,24 6.279,25 4.537,26 5.353,27 5.523,28 4.671,29 4.68,30 6.504,31 4.608,32 5.419,33 5.604,34 4.779,35 4.745,36 6.563,37 4.662,38 5.472,39 5.669,40 4.781,41 4.749,42 6.649,43 4.662,44 5.407,45 5.596,46 4.753,47 4.726,48 6.578,49 4.624,50 5.391,51 5.595,52 4.624,53 4.672,54 6.448,55 4.56,56 0.042,57 0.967,58 12.503,59 6.646,60 10.021,61 8.198,62 0.417,63 1.602,64 27.294,65 11.129,66 35.397,67 13.835,68 0.297,69 1.966,70 35.955,71 14.782,72 41.248,73 18.182,74 0.82,75 2.341,76 47.674,77 17.67,78 95.827,79 21.353,80 0.669,81 2.436,82 54.551,83 20.155,84 96.254,85 25.305,86 1.082,87 2.517,88 61.481,89 21.224,90 131.196,91 26.539,92 0.852,93 2.383,94 60.658,95 20.39,96 122.132,97 25.536,98 0.728,99 2.311,100 57.612,101 20.268,102 96.257,103 25.588,104 74,105 67,106 0.246,107 0.557,108 0.759,109 0.873,110 0.886,111 0.898,112 3.765,113 0.931,114 -5.13,115 -5.02,116 -4.7,117 45.2,118 2,121 1,122 2,123 3,126 11,127 5,128 5,129 2,134 2,139 13,140 2,141 15,147 19,151 16,157 17,159 3,160 16,166 19,169 12,175 23,177 3,178 17,184 25,186 4,187 8,193 26,196 1,197 8,203 18,207 19,213 15,216 3876,217 28.322,218 28.322,219 28.322,220 28.322,221 28.322,222 25.236,223 35.768,224 16.219,225 29.174,226 22.428,227 22.428,228 22.428,229 22.428,230 22.428,231 17.581,232 46.085,233 7.4,234 23.63,235 4.586,236 2.565,237 1.248,238 0.507,239 0.425,240 0.343,241 4.462,242 2,244 1,245 1274,246 4.472,249 92.944,250 529.53,251 176.276,253 2.163,254 48.603,256 0.75,257 0.83,258 0.67,259 0.7,260 0.5,261 0.83,262 1,263 0.75,264 90.167,265 594,266 4.944,267 4.381,268 8.203,269 4.775,270 3.783,271 4.389,272 2.165,273 15.962,274 3.752,275 4.321,276 3.702,277 6.551,278 3.989,279 3.013,280 3.929,281 1.23,282 10.143,283 2.941,284 4.26,285 3.31,286 6.385,287 3.889,288 2.923,289 3.885,290 0.962,291 9.644,292 2.819,293 4.053,294 3.153,295 6.174,296 3.705,297 2.755,298 3.488,299 0.86,300 9.101,301 2.608,302 3.879,303 3.011,304 5.872,305 3.485,306 2.499,307 3.377,308 0.86,309 7.532,310 2.461,311 3.756,312 2.79,313 5.779,314 3.331,315 2.402,316 3.116,317 0.573,318 7.412,319 2.219,320 3.573,321 2.756,322 5.432,323 3.225,324 2.291,325 2.865,326 0.521,327 6.954,328 2.12,329 3.437,330 2.69,331 5.219,332 3.094,333 2.168,334 2.659,335 0.047,336 6.457,337 1.996,338 3.222,339 2.594,340 5.015,341 2.845,342 1.916,343 2.395,345 5.614,346 1.74,347 3.176,348 2.161,349 4.946,350 2.773,351 1.835,352 2.334,354 5.511,355 1.627,356 2.902,357 2.057,358 4.452,359 2.508,360 1.554,361 2.037,363 4.164,364 1.469,365 2.863,366 1.935,367 4.396,368 2.39,369 1.427,370 2.002,372 3.564,373 1.369,374 2.736,375 1.581,376 3.902,377 2.273,378 1.285,379 1.835,381 3.072,382 1.251,383 2.5,384 1.499,385 3.736,386 1.984,387 1,388 1.5,390 2.63,391 0.977,392 2.395,393 1.283,394 3.559,395 1.956,396 1,397 1.359,399 2.136,400 0.954,401 20.462,402 0.487,403 1.141,404 0.027,405 55.5,406 1.321,407 28.5,408 0.679,409 27,410 0.643,411 44.459,412 1.059,413 44.338,414 0.607,415 52.13,416 1.241,417 11.074,418 0.264,419 9.13,420 0.217,421 0.2,422 0.024,423 0.332,425 0.684,426 1.303,427 0.595,428 1.001,429 0.565,430 0.914,431 0.95,432 0.895,433 0.655,434 0.691,435 0.65,436 0.712,437 0.976,438 1.209,439 0.893,440 1.063,441 0.915,442 0.998,443 1.249,444 1.023,445 1.006,446 0.97,447 1.554,448 1.024,449 0.944,450 1.079,451 0.915,452 1.04,453 1.22,454 1,455 1.001,456 0.919,457 0.942,458 0.933,459 1.093,460 0.928,461 0.952,462 0.987,463 1.052,464 1.03,465 1.134,466 1.034,467 1.028,468 1.005,469 1.082,470 1.017,471 1.013,472 1.019,473 9.5,474 0.44,475 6.222,476 4.708,477 3.282,478 2.56,479 1.559,480 1.122,481 0.878,482 0.602,483 26761,484 78255,485 2.04,486 42.5,487 3,488 23,490 2,493 3,495 1.818,496 1.874,497 3.742,498 -0.781,500 117.057,501 1.604,502 3.625,503 4.942,504 5.683,505 5.765,506 5.847,507 3.229,508 5.202,509 5.358,510 3.893,511 3351.98,512 9.515,513 57003.1,516 451.857,517 1.63,518 5.3,519 0.207,520 0.008,521 0.093,522 0.06,523 0.043,524 0.031,525 0.019,526 0.015,527 0.013,528 0.009,529 0.498,530 0.17,531 0.75,532 0.856,533 236.452,534 -0.013,535 -0.186,536 0.03,537 -0.072,538 -0.038,539 -0.015,540 -0.041,541 0.205,542 0.091,543 0.234,544 0.002,545 0.2,546 -0.08,547 -0.152,548 -0.043,549 -0.105,550 -0.017,551 -0.066,552 -0.123,553 0.021,554 -0.125,555 -0.024,556 -0.172,557 -0.1,558 0.011,559 -0.086,560 0.041,561 -0.054,562 -0.008,563 -0.024,564 0.075,565 0.06,566 0.056,567 0.055,568 0.09,569 0.052,570 0.04,571 -0.003,572 0.006,573 -0.027,574 0.043,575 -0.049,576 -0.048,577 -0.043,578 -0.03,579 -0.01,580 -0.048,581 -0.018,582 2.451,583 7.444,584 0.643,585 52.408,586 1.007,587 1.116,588 3.895,589 15.172,590 0.698,591 3.85,592 4.22,593 4.564,594 4.86,595 5.153,596 5.283,597 5.464,598 5.631,599 5.749,600 5.852,601 7.98,602 0.664,603 604.57,604 3.85,605 5.425,606 6.312,607 7.225,608 8.138,609 9.064,610 9.991,611 10.926,612 11.862,613 12.804,614 4.1,620 2,622 1,624 13,625 1,627 10,628 24,629 1,632 2,633 2,634 73,635 26,636 3,637 46,638 77,639 33,640 23,641 9,642 9,643 1,644 5,645 6,646 2,649 2,650 1,651 1,655 25,656 8,658 2,660 2,662 2,665 31,666 7,668 9,669 2,670 3,672 0.8,673 4,675 1,679 1,680 4,681 1,685 1,692 4,695 4,696 2,698 42,702 3,704 2,707 2,708 1,710 2,711 5.5,714 2,716 2,717 22.417,718 14.636,719 9.361,720 4.314,721 4.091,722 1.47,723 0.97,724 8.904,725 12.803,726 4.111,727 4.718,728 5.316,729 5.864,730 6.429,731 6.656,732 7.015,733 7.385,734 7.73,735 8.069,736 0.9,737 78,738 15.627,739 6.778,740 7.785,741 29.463,742 24.247,743 2.285,744 95.972,748 364.904,749 213.649,750 23.034,751 78.297,752 72.29,755 213.649,756 515.491,757 23.034,758 39.417,759 12.566,760 104.239,761 100.027,762 76.267,764 341.362,765 78.297,766 364.904,767 236.683,768 72.29,769 78.297,770 329.591,771 107.603,773 48.311,774 171.587,775 95.083,777 364.904,778 95.324,779 291.946,781 364.904,782 51.899,783 167.999,785 167.372,786 364.904,787 95.324,788 291.946,789 0.586,790 0.366,791 0.199,792 0.115,793 32,794 16,795 0.117,796 9,797 1,798 1.074,799 4.753,800 457.161,801 0.074,802 27,803 226.477,806 30.056,807 12.442,808 5.678,810 95.324,811 23.223,812 4.162,814 6.252,816 752.174,817 60,819 28.138,821 -0.355,822 73.516,823 81.449,824 0.259,825 0.586,826 0.798,827 0.918,828 0.931,829 0.945,830 5.38,831 2.168,832 6.34,833 6.954,834 4.905,835 5.407,836 2.856,837 7.261,838 4.819,839 6.609,840 1.916,841 7.977,842 6.457,843 4.691,844 5.278,845 2.024,846 8.57,847 4.57,848 7.946,849 1.835,850 9.731,851 5.614,852 6.627,853 7.598,854 3.612,855 11.752,856 6.496,857 9.322,858 1.554,859 11.561,860 5.511,861 7.266,862 8.253,863 3.702,864 14.008,865 7.13,866 10.735,867 1.427,868 13.447,869 4.164,870 8.724,871 10.078,872 4.843,873 16.851,874 8.582,875 12.174,876 1.285,877 15.377,878 3.564,879 9.744,880 11.1,881 5.318,882 19.461,883 9.608,884 13.636,885 1,886 17.341,887 3.072,888 11.064,889 12.721,890 6.271,891 22.239,892 10.926,893 3.783,894 1,895 19.334,896 2.63,897 12.253,898 13.935,899 6.904,900 24.96,901 12.12,902 3.013,903 15.962,904 21.35,905 2.136,906 13.547,907 15.461,908 7.767,909 27.728,910 13.413,911 2.923,912 10.143,913 23.386,914 4.389,915 14.808,916 16.781,917 8.471,918 30.483,919 14.677,920 2.755,921 9.644,922 25.437,923 3.929,924 16.107,925 18.264,926 9.291,927 33.252,928 15.974,929 2.499,930 9.101,931 27.5,932 3.885,933 17.402,934 19.643,935 10.028,936 36.017,937 17.267,938 2.402,939 7.532,940 29.572,941 3.488,942 18.711,943 21.107,944 10.825,945 38.786,946 18.573,947 2.291,948 7.412,949 31.652,950 3.377,951 20.021,952 22.521,953 11.58,954 41.555,955 19.88,956 25629,957 43997,958 29.937,959 50.972,960 70.03,961 72.574,962 74.262,963 69.541,964 69.192,965 89.016,966 14.437,967 210.971,968 65.763,969 5.865,970 6.381,971 8.005,972 5.812,973 5.783,974 7.389,975 3.725,976 24.623,977 5.752,978 24.752,979 1.522,980 1.578,981 1.614,982 1.512,983 1.504,984 1.935,985 0.314,986 4.586,987 1.43,988 4.108,989 4.128,990 4.14,991 4.04,992 7.429,993 4.043,994 3.926,995 3.957,996 3.967,997 3.846,998 7.425,999 3.849,1000 3.905,1001 3.928,1002 3.877,1003 3.812,1004 4.971,1005 3.814,1006 3.834,1007 3.857,1008 3.826,1009 3.764,1010 4.906,1011 3.763,1012 3.588,1013 3.65,1014 3.627,1015 3.415,1016 4.892,1017 3.424,1018 3.472,1019 3.507,1020 3.562,1021 3.329,1022 4.881,1023 3.33,1024 3.329,1025 3.381,1026 3.265,1027 3.116,1028 4.578,1029 3.123,1030 3.247,1031 3.316,1032 3.19,1033 3.009,1034 4.38,1035 3.004,1036 0.107,1037 0.095,1038 0.178,1039 0.104,1040 0.082,1041 4.944,1042 0.095,1043 4.381,1044 0.047,1045 8.203,1046 0.347,1047 4.775,1048 0.082,1049 3.783,1050 4.389,1051 2.165,1052 15.962,1053 3.752,1054 1.977,1055 1.964,1056 2.044,1057 2.049,1058 1.275,1059 2.052,1060 1.909,1061 1.89,1062 2.004,1063 2.02,1064 1.177,1065 2.015,1066 1.862,1067 1.828,1068 1.982,1069 1.983,1070 1.149,1071 1.987,1072 1.817,1073 1.794,1074 1.898,1075 1.898,1076 1.023,1077 1.905,1078 1.568,1079 1.514,1080 1.816,1081 1.781,1082 0.947,1083 1.791,1084 1.48,1085 1.426,1086 1.687,1087 1.676,1088 0.82,1089 1.677,1090 1.274,1091 1.22,1092 1.593,1093 1.56,1094 0.663,1095 1.568,1096 1.198,1097 1.126,1098 1.563,1099 1.489,1100 0.581,1101 1.517,1102 4.533,1104 5.889,1105 2.398,1106 7.456,1107 5.043,1108 9.12,1109 7.391,1110 10.838,1111 6.929,1112 13.275,1116 1.159,1118 10.948,1121 3.442,1122 -1.201,1123 48.48,1124 117.057,1125 264.639,1126 360.784,1127 414.838,1128 420.838,1129 426.838,1130 104.971,1131 8.712,1132 71.97,1133 71.97,1134 29,1135 13.3,1136 4.755,1137 3.907,1138 68.499,1139 193,1140 234,1141 0.168,1142 302.401,1143 535.68,1144 729.618,1145 81174,1146 2.7,1147 30.018,1148 0.715,1149 0.604,1150 31.018,1151 25.369,1152 20.203,1153 0.439,1154 0.31,1155 13.396,1156 18.9,1157 12.862,1158 10.678,1159 20.781,1160 14.275,1161 18.183,1162 0.271,1163 0.165,1164 18.962,1165 11.074,1166 16.471,1167 0.173,1168 0.088,1169 17.079,1170 8.365,1171 13.436,1172 0.105,1173 0.046,1174 13.977,1175 5.951,1176 11.435,1177 0.066,1178 0.025,1179 12.077,1180 4.321,1181 0.26,1182 132.568,1183 0.183,1184 36.736,1185 0.473,1186 226,1187 672.284,1188 273.774,1189 705.089,1190 942.88,1191 658,1192 275,1193 641.54,1194 315.093,1195 675.362,1196 993.61,1197 631,1198 7.337} {0 CHEMBL1684573,1 1.493,2 14,3 3.785,4 14.322,5 140.019,6 6.843,7 0.308,8 4.352,9 4.477,10 3.844,11 3.84,12 5.373,13 3.813,14 4.933,15 5.128,16 4.183,17 4.224,18 5.911,19 4.173,20 5.199,21 5.426,22 4.267,23 4.384,24 6.163,25 4.308,26 5.252,27 5.497,28 4.26,29 4.378,30 6.252,31 4.294,32 5.202,33 5.421,34 4.297,35 4.369,36 6.365,37 4.288,38 5.213,39 5.45,40 4.265,41 4.363,42 6.206,43 4.289,44 5.181,45 5.386,46 4.281,47 4.342,48 6.308,49 4.291,50 5.157,51 5.355,52 4.196,53 4.347,54 6.29,55 4.264,56 0.02,57 1.031,58 16.396,59 6.713,60 9.328,61 9.293,62 0.379,63 1.652,64 31.534,65 10.707,66 34.186,67 15.488,68 0.508,69 2.017,70 42.168,71 13.622,72 54.954,73 19.957,74 0.556,75 2.027,76 44.965,77 14.35,78 68.493,79 21.16,80 0.883,81 1.94,82 42.651,83 14.409,84 116.473,85 20.608,86 0.408,87 1.953,88 42.99,89 14.21,90 60.639,91 20.549,92 0.636,93 1.904,94 41.949,95 12.949,96 83.588,97 18.359,98 0.773,99 1.873,100 40.611,101 13.53,102 98.687,103 18.975,104 33,105 53,106 0.234,107 0.538,108 0.752,109 0.831,110 0.852,111 0.852,112 3.616,113 0.983,114 -4.23,115 -4.17,116 -3.94,117 38.9,118 2,119 4,122 1,123 5,124 1,126 7,127 2,128 3,134 3,139 8,140 2,141 14,143 1,145 2,147 8,150 1,151 13,153 1,157 4,159 2,160 8,166 6,168 7,169 10,171 2,173 2,175 9,178 8,182 3,184 6,186 1,187 16,191 2,193 8,196 2,197 6,199 2,201 2,203 12,206 3,207 1,213 11,216 2718,217 24.369,218 24.369,219 24.369,220 24.369,221 24.369,222 22.58,223 35.141,224 14.656,225 24.968,226 19.237,227 19.237,228 19.237,229 19.237,230 19.237,231 16.272,232 45.533,233 6.954,234 20.09,235 4.677,236 2.731,237 1.364,238 0.858,239 0.726,240 0.726,241 4.311,244 1,245 1071,246 4.183,250 456.571,252 174.457,253 2.278,254 38.464,256 1,257 0.67,258 0.83,259 1,260 1,261 1,262 1,263 0.93,264 78,265 504,266 4.569,267 3.844,268 6.864,269 4.23,270 3.265,271 4.161,272 1.961,273 11.42,274 3.154,275 4.177,276 3.558,277 6.251,278 3.781,279 2.802,280 3.781,281 1.253,282 9.319,283 2.742,284 3.864,285 3.08,286 5.687,287 3.541,288 2.573,289 3.229,290 0.86,291 7.649,292 2.49,293 3.676,294 2.924,295 5.341,296 3.451,297 2.522,298 2.884,299 0.86,300 6.967,301 2.343,302 3.569,303 2.826,304 5.283,305 3.361,306 2.405,307 2.855,308 0.8,309 6.698,310 2.288,311 3.519,312 2.773,313 5.26,314 3.17,315 2.225,316 2.618,317 0.78,318 6.597,319 2.097,320 3.411,321 2.512,322 5.162,323 3.078,324 2.127,325 2.519,326 0.305,327 6.272,328 2.006,329 3.024,330 2.243,331 4.717,332 2.811,333 1.807,334 2.145,335 0.113,336 4.812,337 1.802,338 2.921,339 1.955,340 4.283,341 2.595,342 1.615,343 1.939,345 4.13,346 1.58,347 2.653,348 1.741,349 3.861,350 2.527,351 1.557,352 1.711,354 3.338,355 1.499,356 2.631,357 1.532,358 3.726,359 2.254,360 1.299,361 1.633,363 2.788,364 1.232,365 2.504,366 1.441,367 3.49,368 2.192,369 1.202,370 1.438,372 2.762,373 1.187,374 2.329,375 1.301,376 3.481,377 1.984,378 1,379 1.315,381 2.397,382 0.983,383 2,384 1.099,385 3.331,386 1.937,387 0.942,388 1,390 2.136,391 0.932,392 1.934,393 1.077,394 3.247,395 1.463,396 0.505,397 0.591,399 1.216,400 0.472,401 16.933,402 0.47,403 0.818,404 0.023,405 41.5,406 1.153,407 18,408 0.5,409 23.5,410 0.653,411 36.862,412 1.024,413 40.667,414 0.565,415 35.449,416 0.985,417 7.923,418 0.22,419 9.517,420 0.264,421 0.128,423 0.313,425 0.772,426 1.517,427 0.855,428 1.276,429 0.575,430 1.104,431 0.989,432 1.141,433 0.927,434 1.002,435 0.591,436 0.955,437 1.123,438 1.053,439 0.993,440 0.973,441 0.957,442 0.956,443 1.063,444 0.983,445 0.899,446 0.917,447 1.107,448 0.881,449 0.839,450 1.012,451 0.901,452 1.008,453 1.198,454 0.978,455 1.124,456 1.021,457 0.865,458 0.947,459 1.109,460 0.874,461 1.572,462 1.021,463 1.093,464 0.955,465 1.566,466 0.944,467 1.3,468 1.061,469 1.205,470 1.097,471 1.628,472 1.132,473 7,474 0.26,475 3.111,476 2.188,477 2.222,478 1.285,479 0.993,480 0.819,481 0.467,482 0.372,483 19585,484 43680,485 2.056,486 50,487 2,488 21,491 1,493 10,494 2,495 1.777,496 1.929,497 3.697,498 -0.383,500 107.511,501 1.493,502 3.438,503 4.806,504 5.312,505 5.444,506 5.444,507 3.198,508 4.628,509 5.13,510 3.929,511 2475.27,512 9.043,513 40122,516 444.235,517 1.389,518 5.102,519 0.179,520 0.007,521 0.059,522 0.039,523 0.04,524 0.023,525 0.018,526 0.015,527 0.009,528 0.009,529 0.399,530 0.33,531 0.88,532 1.202,533 197.282,534 -0.008,535 -0.247,536 0.066,537 -0.111,538 -0.012,539 -0.027,540 0.015,541 0.004,542 0.053,543 0.028,544 0.072,545 0.042,546 -0.07,547 0.014,548 0.001,549 0.015,550 -0.025,551 0.02,552 -0.006,553 0.028,554 0.101,555 0.055,556 0.045,557 0.091,558 0.309,559 0.011,560 0.1,561 -0.002,562 0.26,563 0.008,564 -0.051,565 -0.017,566 0.131,567 0.046,568 0.005,569 0.111,570 -0.144,571 0.03,572 -0.054,573 0.024,574 -0.054,575 0.008,576 0.001,577 -0.001,578 -0.192,579 -0.084,580 -0.059,581 -0.155,582 1.949,583 6.637,584 0.611,585 49.694,586 0.998,587 1.132,588 2.999,589 8.996,590 0.639,591 3.689,592 3.989,593 4.234,594 4.511,595 4.779,596 4.883,597 5.075,598 5.226,599 5.357,600 5.416,601 8.166,602 0.602,603 492.68,604 3.689,605 5.22,606 6.057,607 6.929,608 7.789,609 8.673,610 9.549,611 10.44,612 11.326,613 12.224,614 5.6,617 1,620 2,621 1,624 7,627 5,628 12,629 1,632 2,634 72,635 15,636 2,637 39,638 75,639 28,640 12,641 5,642 7,643 2,644 4,645 5,649 2,652 3,654 5,655 15,656 13,658 3,660 2,661 1,662 3,665 36,666 8,667 1,668 8,670 4,671 1,672 0.75,673 4,680 4,682 1,684 1,688 1,692 3,695 3,698 36,702 9,703 1,704 2,706 1,707 2,711 5.6,714 2,716 2,717 18.667,718 13.683,719 8.056,720 4.642,721 2.63,722 1.324,723 0.952,724 9.137,725 10.737,726 3.892,727 4.394,728 4.902,729 5.445,730 6.003,731 6.287,732 6.731,733 7.11,734 7.521,735 7.796,736 1,737 56,738 13.441,739 5.658,740 7.685,741 25.931,742 21.104,743 2.185,744 78.667,748 411.989,749 149.373,750 41.045,752 72.29,755 149.373,756 484.278,757 41.045,758 28.533,759 44.288,760 66.334,761 62.027,762 61.524,764 411.989,766 411.989,767 190.417,768 72.29,770 270.735,771 213.543,773 81.849,774 108.569,777 411.989,778 113.335,779 149.373,781 411.989,782 54.505,783 101.116,784 18.011,785 89.075,786 411.989,787 113.335,788 149.373,789 0.571,790 0.323,791 0.179,792 0.1,793 23,794 11,795 0.133,796 10,797 1,798 1.091,799 4.611,800 338.556,801 0.091,802 22,803 180.117,806 26.339,807 12.488,808 6.949,810 113.335,811 12.714,814 2.955,815 18.011,816 674.696,817 48,819 26.274,820 4.778,821 -0.112,822 71.854,823 81.474,824 0.242,825 0.557,826 0.779,827 0.861,828 0.882,829 0.882,830 5.136,831 1.807,832 6.028,833 6.272,834 4.673,835 5.081,836 2.762,837 6.817,838 4.594,839 6.302,840 1.615,841 7.569,842 4.812,843 4.205,844 4.808,845 1.738,846 7.676,847 4.094,848 7.586,849 1.557,850 9.211,851 4.13,852 6.236,853 7.141,854 3.35,855 10.797,856 6.079,857 8.902,858 1.299,859 10.914,860 3.338,861 6.581,862 7.683,863 3.184,864 12.52,865 6.391,866 10.253,867 1.202,868 12.66,869 2.788,870 8.079,871 9.517,872 4.341,873 15.18,874 7.853,875 11.629,876 1,877 14.436,878 2.762,879 8.825,880 10.457,881 4.602,882 17.289,883 8.569,884 13.025,885 0.942,886 16.236,887 2.397,888 10.105,889 12.076,890 5.532,891 19.794,892 9.816,893 3.265,894 0.505,895 18.054,896 2.136,897 11.059,898 13.229,899 5.994,900 22.08,901 10.741,902 2.802,903 11.42,904 19.889,905 1.216,906 12.252,907 14.744,908 6.807,909 24.532,910 11.903,911 2.573,912 9.319,913 21.736,914 4.161,915 13.313,916 16.012,917 7.368,918 26.896,919 12.933,920 2.522,921 7.649,922 23.594,923 3.781,924 14.478,925 17.475,926 8.119,927 29.331,928 14.067,929 2.405,930 6.967,931 25.462,932 3.229,933 15.593,934 18.807,935 8.731,936 31.731,937 15.15,938 2.225,939 6.698,940 27.338,941 2.884,942 16.753,943 20.244,944 9.448,945 34.161,946 16.278,947 2.127,948 6.597,949 29.221,950 2.855,951 17.897,952 21.612,953 10.088,954 36.578,955 17.388,956 18879,957 28509,958 25.948,959 46.023,960 58.033,961 60.037,962 59.142,963 57.266,964 57.326,965 69.55,966 13.862,967 160.263,968 55.101,969 5.569,970 5.844,971 6.666,972 5.305,973 5.265,974 7.161,975 3.436,976 19.045,977 5.154,978 18.287,979 1.488,980 1.539,981 1.516,982 1.468,983 1.47,984 1.783,985 0.355,986 4.109,987 1.413,988 4.047,989 4.074,990 4.013,991 3.943,992 7.433,993 3.955,994 3.868,995 3.93,996 3.809,997 3.794,998 7.423,999 3.794,1000 3.853,1001 3.879,1002 3.724,1003 3.701,1004 4.936,1005 3.696,1006 3.726,1007 3.788,1008 3.627,1009 3.528,1010 4.818,1011 3.539,1012 3.573,1013 3.631,1014 3.45,1015 3.397,1016 4.563,1017 3.394,1018 3.478,1019 3.54,1020 3.326,1021 3.305,1022 4.354,1023 3.309,1024 3.275,1025 3.328,1026 3.152,1027 3.043,1028 4.315,1029 3.065,1030 3.209,1031 3.256,1032 3.08,1033 2.959,1034 4.292,1035 2.976,1036 0.117,1037 0.099,1038 0.176,1039 0.108,1040 0.084,1041 4.569,1042 0.107,1043 3.844,1044 0.05,1045 6.864,1046 0.293,1047 4.23,1048 0.081,1049 3.265,1050 4.161,1051 1.961,1052 11.42,1053 3.154,1054 1.969,1055 1.948,1056 2.065,1057 2.09,1058 1.418,1059 2.074,1060 1.853,1061 1.832,1062 2.038,1063 2.027,1064 1.178,1065 2.042,1066 1.832,1067 1.769,1068 1.951,1069 1.943,1070 1.144,1071 1.945,1072 1.677,1073 1.612,1074 1.925,1075 1.9,1076 1.099,1077 1.907,1078 1.557,1079 1.495,1080 1.824,1081 1.762,1082 1.043,1083 1.782,1084 1.446,1085 1.391,1086 1.643,1087 1.659,1088 0.83,1089 1.664,1090 1.207,1091 1.148,1092 1.569,1093 1.513,1094 0.825,1095 1.53,1096 1.153,1097 1.085,1098 1.513,1099 1.395,1100 0.64,1101 1.429,1102 4.369,1104 5.673,1106 7.172,1108 8.77,1110 10.425,1111 5.36,1116 8.628,1117 2.861,1118 11.335,1120 -0.035,1121 3.91,1123 43.374,1124 107.511,1125 247.571,1126 346.054,1127 382.46,1128 391.97,1129 391.97,1130 81.506,1131 8.107,1132 85.69,1133 85.69,1134 24,1135 12.75,1136 4,1137 3.322,1138 62.02,1139 171,1140 212,1141 0.173,1142 266.598,1143 477.12,1144 642.259,1145 39299,1147 25.493,1148 0.708,1149 0.596,1150 25.493,1151 21.457,1152 17.44,1153 0.447,1154 0.328,1155 12.586,1156 16.686,1157 12.229,1158 10.191,1159 17.44,1160 12.779,1161 15.485,1162 0.292,1163 0.18,1164 15.485,1165 9.564,1166 12.386,1167 0.182,1168 0.093,1169 12.386,1170 6.341,1171 10.521,1172 0.117,1173 0.051,1174 10.521,1175 4.591,1176 8.606,1177 0.073,1178 0.027,1179 8.606,1180 3.163,1181 0.273,1182 109.784,1183 0.196,1184 33.208,1185 0.469,1186 184,1187 534.21,1188 203.842,1189 504.201,1190 686.06,1191 474,1192 213,1193 498.695,1194 233.041,1195 501.722,1196 734.62,1197 471,1198 8.699} {0 CHEMBL1684574,1 1.564,2 13.571,3 4.465,4 19.939,5 138.361,6 7.31,7 0.316,8 4.296,9 4.42,10 3.844,11 3.823,12 5.316,13 3.788,14 4.877,15 5.068,16 4.211,17 4.218,18 5.871,19 4.157,20 5.171,21 5.4,22 4.285,23 4.371,24 6.143,25 4.283,26 5.199,27 5.447,28 4.27,29 4.338,30 6.212,31 4.249,32 5.121,33 5.331,34 4.315,35 4.313,36 6.325,37 4.237,38 5.147,39 5.381,40 4.291,41 4.337,42 6.159,43 4.255,44 5.107,45 5.305,46 4.331,47 4.321,48 6.273,49 4.251,50 5.066,51 5.267,52 4.228,53 4.282,54 6.224,55 4.188,56 0.012,57 0.974,58 14.616,59 6.336,60 7.573,61 8.628,62 0.306,63 1.586,64 29.366,65 10.497,66 30.148,67 14.81,68 0.498,69 1.942,70 43.41,71 13.843,72 56.675,73 19.582,74 0.55,75 1.913,76 44.918,77 14.147,78 67.669,79 20.149,80 0.831,81 1.789,82 41.114,83 13.438,84 114.602,85 18.735,86 0.395,87 1.815,88 41.862,89 14.07,90 59.031,91 19.47,92 0.541,93 1.737,94 42.655,95 13.254,96 83.406,97 17.653,98 0.735,99 1.678,100 40.577,101 12.66,102 100.815,103 17.176,104 30,105 52,106 0.247,107 0.558,108 0.76,109 0.84,110 0.852,111 0.852,112 3.588,113 1.005,114 -4.98,115 -4.88,116 -4.58,117 39.7,118 2,119 4,123 5,124 1,126 7,127 2,128 3,134 3,139 8,140 2,141 12,143 1,145 2,147 10,150 1,151 11,153 1,157 6,159 2,160 7,166 7,168 5,169 12,171 2,173 2,175 9,178 8,182 3,184 6,187 15,191 2,193 10,196 1,197 5,199 1,201 3,203 14,206 3,207 1,213 11,216 2496,217 23.499,218 23.499,219 23.499,220 23.499,221 23.499,222 21.657,223 32.429,224 14.154,225 24.056,226 18.809,227 18.809,228 18.809,229 18.809,230 18.809,231 15.849,232 41.523,233 6.808,234 19.742,235 4.524,236 2.561,237 1.286,238 0.78,239 0.699,240 0.699,241 4.283,242 1,244 1,245 1012,246 4.062,250 441.376,252 168.91,253 2.237,254 38.532,256 1,257 0.83,258 0.83,259 1,260 1,261 1,262 1,263 0.95,264 75.333,265 475,266 4.568,267 3.844,268 6.864,269 4.229,270 3.264,271 4.16,272 1.961,273 11.419,274 3.153,275 4.168,276 3.558,277 6.249,278 3.767,279 2.793,280 3.771,281 1.253,282 9.306,283 2.716,284 3.849,285 3.1,286 5.67,287 3.524,288 2.557,289 3.213,290 0.86,291 7.556,292 2.473,293 3.669,294 2.924,295 5.341,296 3.451,297 2.522,298 2.879,299 0.8,300 6.967,301 2.342,302 3.543,303 2.837,304 5.26,305 3.339,306 2.389,307 2.834,308 0.78,309 6.689,310 2.259,311 3.518,312 2.824,313 5.163,314 3.105,315 2.185,316 2.617,317 0.305,318 6.307,319 2.01,320 3.41,321 2.513,322 5.098,323 3.05,324 2.108,325 2.519,326 0.113,327 6.065,328 1.925,329 3.003,330 2.243,331 4.638,332 2.806,333 1.803,334 2.109,336 4.685,337 1.788,338 2.905,339 1.939,340 4.275,341 2.593,342 1.612,343 1.933,345 4.093,346 1.578,347 2.645,348 1.741,349 3.845,350 2.473,351 1.521,352 1.702,354 3.338,355 1.402,356 2.631,357 1.527,358 3.726,359 2.254,360 1.299,361 1.633,363 2.782,364 1.232,365 2.504,366 1.43,367 3.484,368 2.167,369 1.183,370 1.438,372 2.725,373 1.144,374 2.329,375 1.28,376 3.475,377 1.984,378 1,379 1.315,381 2.395,382 0.983,383 2,384 1.094,385 3.33,386 1.937,387 0.941,388 1,390 2.136,391 0.932,392 1.934,393 1.077,394 3.247,395 1.463,396 0.505,397 0.591,399 1.216,400 0.472,401 16.814,402 0.48,403 0.856,404 0.024,405 40.25,406 1.15,407 17.5,408 0.5,409 22.75,410 0.65,411 36.315,412 1.038,413 38.986,414 0.573,415 33.233,416 0.95,417 7.511,418 0.215,419 9.391,420 0.268,421 0.142,423 0.315,425 0.709,426 1.474,427 0.714,428 1.148,429 0.549,430 1.038,431 0.836,432 1.181,433 0.78,434 0.98,435 0.534,436 0.96,437 1.12,438 1.035,439 0.944,440 0.943,441 0.937,442 0.941,443 1.096,444 0.938,445 0.789,446 0.832,447 1.085,448 0.819,449 0.897,450 1.025,451 0.82,452 1.001,453 1.217,454 0.967,455 1.163,456 0.951,457 0.755,458 0.843,459 1.106,460 0.817,461 1.551,462 1.065,463 1.094,464 1.008,465 1.55,466 0.977,467 1.351,468 1.004,469 1.118,470 1.024,471 1.594,472 1.071,473 7,474 0.214,475 3.111,476 2.188,477 2.182,478 1.222,479 0.993,480 0.773,481 0.422,482 0.362,483 18300,484 43561,485 2.058,486 48.5,487 2,488 18,491 1,493 10,494 2,495 1.77,496 1.927,497 3.651,498 -0.373,500 106.346,501 1.564,502 3.526,503 4.802,504 5.308,505 5.389,506 5.389,507 3.101,508 4.786,509 5.09,510 3.901,511 2321.38,512 8.958,513 36890.4,516 413.947,517 1.404,518 5.06,519 0.184,520 0.006,521 0.06,522 0.041,523 0.041,524 0.023,525 0.018,526 0.015,527 0.009,528 0.01,529 0.407,530 0.17,531 0.88,532 1.134,533 190.193,534 -0.014,535 -0.221,536 0.04,537 -0.078,538 -0.016,539 -0.016,540 0.053,541 -0.029,542 0.051,543 0.006,544 0.087,545 0.015,546 -0.071,547 0.015,548 -0.012,549 0.017,550 -0.029,551 0.019,552 -0.005,553 0.059,554 0.112,555 0.109,556 0.049,557 0.137,558 0.315,559 -0.003,560 0.084,561 -0.029,562 0.254,563 -0.004,564 -0.063,565 0.041,566 0.144,567 0.128,568 -0.001,569 0.156,570 -0.142,571 -0.044,572 -0.028,573 -0.012,574 -0.04,575 -0.018,576 -0.023,577 0.033,578 -0.099,579 -0.037,580 -0.06,581 -0.113,582 1.956,583 6.565,584 0.629,585 47.198,586 1,587 1.129,588 3.748,589 14.045,590 0.657,591 3.664,592 3.97,593 4.205,594 4.489,595 4.754,596 4.852,597 5.037,598 5.187,599 5.308,600 5.357,601 8.033,602 0.617,603 497.09,604 3.664,605 5.198,606 6.033,607 6.907,608 7.766,609 8.65,610 9.525,611 10.417,612 11.303,613 12.201,614 5.9,617 1,620 2,621 1,624 7,627 5,628 12,629 1,632 1,633 1,634 68,635 15,636 2,637 38,638 71,639 27,640 12,641 5,642 7,643 2,644 4,645 5,646 1,649 2,652 3,654 5,655 15,656 12,658 3,660 2,661 1,662 3,665 33,666 7,667 1,668 8,669 1,670 4,671 1,672 0.75,673 3,680 4,682 1,684 1,688 1,692 3,695 2,696 1,698 35,702 9,703 1,704 1,706 1,707 2,710 1,711 4.4,714 2,716 1,717 18.167,718 12.66,719 7.722,720 4.469,721 2.592,722 1.323,723 0.961,724 8.824,725 10.623,726 3.871,727 4.382,728 4.879,729 5.425,730 5.98,731 6.255,732 6.696,733 7.079,734 7.488,735 7.746,736 0.889,737 54,738 13.069,739 5.553,740 7.708,741 25.183,742 20.694,743 2.208,744 77.278,748 376.675,749 136.747,750 41.045,751 39.149,752 61.29,755 136.747,756 477.114,757 41.045,758 17.65,759 44.288,760 66.334,761 62.027,762 48.782,764 376.675,765 39.149,766 376.675,767 177.792,768 61.29,769 39.149,770 235.422,771 202.543,773 81.849,774 95.943,775 39.149,777 376.675,778 102.335,779 175.895,781 376.675,782 52.762,783 90.233,784 18.011,785 117.224,786 376.675,787 102.335,788 175.895,789 0.574,790 0.319,791 0.178,792 0.1,793 23,794 11,795 0.127,796 9,797 1,798 1.091,799 4.543,800 325.897,801 0.091,802 22,803 173.525,806 25.683,807 12.025,808 6.844,810 102.335,811 12.491,814 2.798,815 18.011,816 654.905,817 47,819 26.145,820 4.74,821 -0.14,822 67.967,823 76.793,824 0.257,825 0.579,826 0.789,827 0.872,828 0.885,829 0.885,830 5.118,831 1.803,832 6.009,833 6.065,834 4.654,835 5.069,836 2.664,837 6.797,838 4.564,839 6.289,840 1.612,841 7.549,842 4.685,843 4.205,844 4.808,845 1.738,846 7.65,847 4.053,848 7.574,849 1.521,850 9.19,851 4.093,852 6.217,853 7.13,854 3.31,855 10.777,856 6.044,857 8.89,858 1.299,859 10.894,860 3.338,861 6.567,862 7.672,863 3.184,864 12.499,865 6.346,866 10.241,867 1.183,868 12.639,869 2.782,870 8.06,871 9.506,872 4.33,873 15.165,874 7.816,875 11.616,876 1,877 14.415,878 2.725,879 8.809,880 10.445,881 4.602,882 17.276,883 8.528,884 13.012,885 0.941,886 16.216,887 2.395,888 10.087,889 12.065,890 5.529,891 19.785,892 9.781,893 3.264,894 0.505,895 18.036,896 2.136,897 11.044,898 13.216,899 5.994,900 22.072,901 10.705,902 2.793,903 11.419,904 19.871,905 1.216,906 12.237,907 14.732,908 6.807,909 24.526,910 11.87,911 2.557,912 9.306,913 21.72,914 4.16,915 13.3,916 16,917 7.368,918 26.891,919 12.902,920 2.522,921 7.556,922 23.58,923 3.771,924 14.465,925 17.463,926 8.119,927 29.327,928 14.038,929 2.389,930 6.967,931 25.45,932 3.213,933 15.582,934 18.795,935 8.731,936 31.727,937 15.122,938 2.185,939 6.689,940 27.327,941 2.879,942 16.743,943 20.233,944 9.448,945 34.158,946 16.252,947 2.108,948 6.307,949 29.211,950 2.834,951 17.887,952 21.601,953 10.088,954 36.575,955 17.363,956 17590,957 27488,958 25.255,959 44.665,960 56.923,961 58.741,962 57.841,963 56.341,964 56.145,965 68.377,966 12.142,967 157.373,968 53.572,969 5.568,970 5.844,971 6.666,972 5.304,973 5.264,974 7.16,975 3.436,976 19.043,977 5.153,978 17.885,979 1.498,980 1.546,981 1.522,982 1.483,983 1.478,984 1.799,985 0.32,986 4.141,987 1.41,988 4.045,989 4.072,990 4.052,991 3.947,992 7.433,993 3.956,994 3.866,995 3.93,996 3.913,997 3.804,998 7.423,999 3.799,1000 3.849,1001 3.873,1002 3.725,1003 3.701,1004 4.974,1005 3.696,1006 3.726,1007 3.788,1008 3.635,1009 3.529,1010 4.851,1011 3.539,1012 3.572,1013 3.629,1014 3.479,1015 3.398,1016 4.568,1017 3.394,1018 3.475,1019 3.538,1020 3.346,1021 3.306,1022 4.346,1023 3.309,1024 3.237,1025 3.274,1026 3.28,1027 3.034,1028 4.299,1029 3.055,1030 3.111,1031 3.206,1032 3.121,1033 2.941,1034 4.271,1035 2.918,1036 0.12,1037 0.101,1038 0.181,1039 0.111,1040 0.086,1041 4.568,1042 0.109,1043 3.844,1044 0.052,1045 6.864,1046 0.3,1047 4.229,1048 0.083,1049 3.264,1050 4.16,1051 1.961,1052 11.419,1053 3.153,1054 1.969,1055 1.948,1056 2.065,1057 2.087,1058 1.418,1059 2.072,1060 1.852,1061 1.831,1062 2.033,1063 2.027,1064 1.178,1065 2.042,1066 1.832,1067 1.769,1068 1.94,1069 1.922,1070 1.143,1071 1.934,1072 1.677,1073 1.612,1074 1.925,1075 1.9,1076 1.099,1077 1.907,1078 1.557,1079 1.495,1080 1.824,1081 1.759,1082 1.041,1083 1.781,1084 1.444,1085 1.389,1086 1.64,1087 1.655,1088 0.829,1089 1.661,1090 1.153,1091 1.112,1092 1.513,1093 1.4,1094 0.825,1095 1.429,1096 1.148,1097 1.064,1098 1.417,1099 1.376,1100 0.64,1101 1.383,1102 4.344,1104 5.652,1106 7.152,1108 8.75,1110 10.406,1111 3.762,1112 6.196,1116 8.618,1117 2.848,1118 5.965,1120 -0.036,1121 3.89,1123 41.959,1124 106.346,1125 239.793,1126 326.522,1127 360.928,1128 366.438,1129 366.438,1130 80.046,1131 8.031,1132 76.46,1133 76.46,1134 24,1135 12.727,1136 4,1137 3.322,1138 59.414,1139 164,1140 201,1141 0.173,1142 261.342,1143 466.24,1144 629.435,1145 35734,1146 1.5,1147 24.786,1148 0.708,1149 0.605,1150 25.286,1151 21.183,1152 16.902,1153 0.445,1154 0.335,1155 12.234,1156 15.996,1157 11.887,1158 9.864,1159 17.191,1160 12.734,1161 15.316,1162 0.295,1163 0.188,1164 15.725,1165 9.779,1166 11.963,1167 0.181,1168 0.096,1169 12.225,1170 6.331,1171 10.298,1172 0.117,1173 0.053,1174 10.552,1175 4.647,1176 8.368,1177 0.073,1178 0.028,1179 8.573,1180 3.177,1181 0.274,1182 108.616,1183 0.199,1184 32.471,1185 0.469,1186 180,1187 512.678,1188 212.483,1189 519.992,1190 697.06,1191 486,1192 208,1193 485.013,1194 235.142,1195 497.695,1196 730.39,1197 469,1198 8.398} {0 CHEMBL219272,1 1.736,2 19.443,3 -2.369,4 5.613,5 259.328,6 7.562,7 0.164,8 4.971,9 5.105,10 4.567,11 4.444,12 6.123,13 4.411,14 5.526,15 5.704,16 4.87,17 4.837,18 6.676,19 4.769,20 5.896,21 6.117,22 5.012,23 5.021,24 7.038,25 4.936,26 5.978,27 6.193,28 5.147,29 5.067,30 7.166,31 5.014,32 6.048,33 6.251,34 5.326,35 5.168,36 7.476,37 5.119,38 6.18,39 6.394,40 5.383,41 5.318,42 7.405,43 5.242,44 6.298,45 6.507,46 5.473,47 5.421,48 7.512,49 5.344,50 6.358,51 6.562,52 5.568,53 5.499,54 7.704,55 5.415,56 0.34,57 2.022,58 32.399,59 12.161,60 59.252,61 15.726,62 0.977,63 3.09,64 57.798,65 20.415,66 141.635,67 28.32,68 2.112,69 3.825,70 94.051,71 27.23,72 300.627,73 37.728,74 2.136,75 4.042,76 102.86,77 26.832,78 344.69,79 38.031,80 3.091,81 4.449,82 107.845,83 29.595,84 568.866,85 41.89,86 2.866,87 5.126,88 125.329,89 36.184,90 440.556,91 49.163,92 3.102,93 5.643,94 150.288,95 40.617,96 510.119,97 54.041,98 3.908,99 6.09,100 155.214,101 44.274,102 693.644,103 60.027,104 271,105 97,106 0.239,107 0.495,108 0.682,109 0.809,110 0.872,111 0.889,112 4.264,113 1.044,114 2.09,115 1.84,116 1.43,117 33.6,119 10,123 6,124 7,126 9,127 2,128 1,134 10,136 4,137 4,138 4,139 15,140 1,141 4,142 2,143 9,145 11,147 14,148 3,150 1,151 6,153 9,154 6,155 14,156 1,157 9,158 2,160 12,162 1,163 1,164 10,165 1,166 2,168 10,169 10,170 2,171 9,172 3,173 15,174 3,175 5,177 2,178 16,179 3,180 11,181 7,182 13,183 3,184 9,185 1,187 19,188 2,189 3,190 2,191 9,192 1,193 12,194 2,196 10,197 11,198 4,199 11,200 3,201 16,202 1,203 17,204 4,206 4,207 12,208 4,209 13,210 6,211 15,212 3,213 20,214 3,215 1,216 13356,217 46.188,218 46.188,219 46.188,220 46.188,221 46.188,222 43.206,223 47.699,224 28.081,225 46.728,226 35.941,227 35.941,228 35.941,229 35.941,230 35.941,231 31.064,232 38.54,233 13.323,234 36.702,235 5.33,236 3.476,237 2.117,238 1.196,239 0.737,240 0.612,241 4.947,245 2804,246 6.124,249 208.614,250 454.08,253 2.741,254 152.188,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 157,265 1361,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.045,275 4.145,276 3.861,277 6.237,278 3.962,279 2.977,280 3.476,281 2.003,282 9.346,283 2.923,284 4.079,285 3.817,286 6.165,287 3.887,288 2.901,289 3.435,290 1.987,291 9.098,292 2.854,293 4.022,294 3.806,295 6.088,296 3.803,297 2.815,298 3.268,299 1.973,300 8.798,301 2.772,302 3.97,303 3.728,304 6.014,305 3.756,306 2.765,307 3.198,308 1.946,309 8.602,310 2.732,311 3.891,312 3.692,313 5.915,314 3.633,315 2.64,316 3.143,317 1.929,318 8.219,319 2.617,320 3.866,321 3.628,322 5.826,323 3.522,324 2.536,325 3.058,326 1.909,327 7.888,328 2.502,329 3.737,330 3.573,331 5.373,332 3.511,333 2.513,334 2.912,335 1.898,336 7,337 2.496,338 3.683,339 3.507,340 5.286,341 3.369,342 2.366,343 2.853,344 1.886,345 6.709,346 2.367,347 3.552,348 3.494,349 5.086,350 3.243,351 2.23,352 2.734,353 1.886,354 5.928,355 2.248,356 3.52,357 3.474,358 5.001,359 3.215,360 2.202,361 2.673,362 0.634,363 5.753,364 2.218,365 3.46,366 3.243,367 4.883,368 3.107,369 2.077,370 2.641,371 0.404,372 5.641,373 2.12,374 3.382,375 2.817,376 4.682,377 3.007,378 2.031,379 2.613,380 0.346,381 5.192,382 1.968,383 3.108,384 2.733,385 4.642,386 2.896,387 1.919,388 2.121,389 0.325,390 4.957,391 1.856,392 2.938,393 2.555,394 4.403,395 2.645,396 1.667,397 2.088,398 0.23,399 4.28,400 1.63,401 32.633,402 0.466,403 1.774,404 0.025,405 72,406 1.029,407 27.5,408 0.393,409 44.5,410 0.636,411 106.866,412 1.527,413 81.967,414 0.612,415 93.756,416 1.339,417 13.615,418 0.194,419 19.869,420 0.284,421 0.161,423 0.319,425 0.793,426 1.35,427 0.764,428 1.021,429 0.649,430 1,431 0.561,432 1.376,433 0.952,434 1.262,435 0.526,436 1.193,437 0.987,438 0.972,439 1.065,440 1.033,441 1.012,442 1.026,443 1.298,444 1.091,445 1.008,446 0.994,447 1.278,448 0.94,449 0.92,450 1.098,451 0.88,452 0.993,453 0.919,454 0.958,455 1.042,456 0.978,457 1.032,458 1.004,459 1.034,460 0.981,461 1.32,462 1.063,463 1.221,464 1.101,465 1.311,466 0.99,467 0.947,468 1.098,469 1.099,470 1.143,471 0.975,472 1.066,473 15,474 1.163,475 7.556,476 4.368,477 4.823,478 2.872,479 2.284,480 2.243,481 1.567,482 1.283,483 100664,484 316420,485 1.947,486 47.8,488 28,491 16,492 4,493 16,495 1.934,496 1.795,497 4.175,498 10.668,500 232.649,501 1.736,502 3.59,503 4.95,504 5.87,505 6.329,506 6.454,507 3.538,508 5.786,509 6.102,510 4.38,511 10577.1,512 11.022,513 268021,516 946.856,517 1.503,518 6.04,519 0.205,520 0.007,521 0.078,522 0.041,523 0.041,524 0.021,525 0.015,526 0.014,527 0.009,528 0.007,529 0.438,530 0.17,531 0.5,532 1.581,533 456.759,534 -0.125,535 0.014,536 0.08,537 0.127,538 -0.064,539 0.071,540 0.127,541 -0.155,542 -0.041,543 -0.146,544 0.073,545 -0.132,546 -0.02,547 0.085,548 -0.062,549 -0.01,550 -0.09,551 -0.03,552 -0.184,553 -0.06,554 0.001,555 0.002,556 -0.158,557 0.033,558 0.184,559 -0.041,560 0.107,561 0.006,562 0.2,563 0.019,564 -0.02,565 0.091,566 0.005,567 0.039,568 -0.034,569 0.011,570 -0.194,571 -0.007,572 -0.076,573 0.011,574 -0.153,575 0.008,576 0.094,577 -0.03,578 -0.014,579 -0.042,580 0.095,581 -0.054,582 2.995,583 7.481,584 0.529,585 115.229,586 1.015,587 1.141,588 -3.322,589 11.035,590 0.636,591 4.304,592 4.585,593 4.771,594 4.97,595 5.159,596 5.193,597 5.298,598 5.442,599 5.497,600 5.549,601 11.409,602 0.606,603 1013.35,604 4.304,605 5.832,606 6.645,607 7.497,608 8.335,609 9.191,610 10.041,611 10.901,612 11.756,613 12.619,614 9,615 2,620 10,624 9,627 3,628 12,631 1,634 134,635 22,636 2,637 73,638 137,639 45,640 12,641 3,642 9,644 4,645 4,649 2,652 9,654 17,655 22,656 23,658 10,660 10,662 10,665 64,666 23,667 16,668 25,669 2,670 12,672 1,673 11,676 1,679 1,680 2,683 2,684 7,685 1,686 2,692 4,693 1,694 2,698 70,699 4,701 1,702 16,703 7,705 2,706 7,707 1,711 8.2,713 1,714 10,717 39,718 22.067,719 15.917,720 7.732,721 1.119,722 1.124,723 0.919,724 25.1,725 10.15,726 4.5,727 4.913,728 5.204,729 5.525,730 5.924,731 5.816,732 5.946,733 6.241,734 6.35,735 6.382,736 0.786,737 106,738 26.826,739 12.033,740 8.188,741 48.359,742 39.317,743 2.688,744 188.167,748 565.013,749 234.635,750 260.788,752 294.133,754 60.363,755 174.271,756 859.146,757 260.788,759 296.356,760 85.286,761 341.179,762 6.371,764 625.376,766 565.013,767 435.06,768 294.133,769 60.363,770 376.675,771 482.47,773 296.356,774 138.704,776 60.363,777 565.013,778 554.921,779 234.635,781 565.013,782 149.349,783 88.411,784 126.075,785 425.721,786 565.013,787 554.921,788 234.635,789 0.568,790 0.316,791 0.165,792 0.097,793 33,794 21,795 0.131,796 18,798 1,799 6.405,800 850.636,802 37,803 421.05,804 2,806 57.964,807 30.311,808 19.847,810 554.921,811 14.746,814 1.213,815 300.347,816 1354.57,817 89,819 135.072,821 -7.806,822 135.948,823 152.918,824 0.246,825 0.508,826 0.7,827 0.831,828 0.896,829 0.913,830 5.746,831 2.513,832 6.619,833 7.888,834 5.273,835 5.602,836 4.187,837 7.377,838 5.236,839 6.893,840 2.366,841 8.152,842 7,843 4.844,844 5.345,845 3.703,846 8.192,847 4.827,848 8.161,849 2.23,850 9.785,851 6.709,852 6.819,853 7.486,854 5.259,855 11.266,856 6.745,857 9.452,858 2.202,859 11.477,860 5.928,861 7.186,862 7.97,863 5.361,864 12.902,865 7.125,866 10.772,867 2.077,868 13.206,869 5.753,870 8.633,871 9.636,872 6.467,873 15.496,874 8.521,875 12.109,876 2.031,877 14.962,878 5.641,879 9.368,880 10.432,881 6.828,882 17.49,883 9.254,884 13.46,885 1.919,886 16.738,887 5.192,888 10.602,889 11.921,890 7.733,891 19.913,892 10.447,893 3.158,894 1.667,895 18.528,896 4.957,897 11.519,898 12.869,899 8.231,900 22.081,901 11.347,902 2.977,903 10.878,904 20.33,905 4.28,906 12.665,907 14.279,908 9.032,909 24.444,910 12.458,911 2.901,912 9.346,913 22.142,914 3.626,915 13.672,916 15.313,917 9.607,918 26.7,919 13.441,920 2.815,921 9.098,922 23.962,923 3.476,924 14.784,925 16.68,926 10.351,927 29.048,928 14.519,929 2.765,930 8.798,931 25.789,932 3.435,933 15.839,934 17.771,935 10.969,936 31.352,937 15.544,938 2.64,939 8.602,940 27.622,941 3.268,942 16.941,943 19.111,944 11.683,945 33.701,946 16.612,947 2.536,948 8.219,949 29.461,950 3.198,951 18.021,952 20.244,953 12.326,954 36.034,955 17.66,956 99402,957 176459,958 46.638,959 85.16,960 107.258,961 115.764,962 110.862,963 105.802,964 105.849,965 124.849,966 43.345,967 289.92,968 103.985,969 5.278,970 5.998,971 6.593,972 5.22,973 5.158,974 6.626,975 3.536,976 18.265,977 5.045,978 48.32,979 1.469,980 1.586,981 1.519,982 1.449,983 1.45,984 1.71,985 0.594,986 3.972,987 1.424,988 4.022,989 4.064,990 4.171,991 3.91,992 7.454,993 3.908,994 3.924,995 3.966,996 3.926,997 3.848,998 7.436,999 3.842,1000 3.911,1001 3.94,1002 3.849,1003 3.776,1004 7.433,1005 3.783,1006 3.837,1007 3.883,1008 3.837,1009 3.663,1010 7.43,1011 3.676,1012 3.786,1013 3.841,1014 3.759,1015 3.62,1016 7.429,1017 3.617,1018 3.738,1019 3.782,1020 3.697,1021 3.593,1022 7.427,1023 3.572,1024 3.715,1025 3.761,1026 3.662,1027 3.551,1028 7.425,1029 3.557,1030 3.61,1031 3.67,1032 3.595,1033 3.476,1034 7.423,1035 3.451,1036 0.059,1037 0.055,1038 0.092,1039 0.056,1040 0.043,1041 4.278,1042 0.05,1043 3.998,1044 0.028,1045 6.732,1046 0.149,1047 4.124,1048 0.042,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.045,1054 1.931,1055 1.903,1056 2.059,1057 2.046,1058 1.292,1059 2.048,1060 1.914,1061 1.888,1062 2.035,1063 2.009,1064 1.287,1065 2.017,1066 1.781,1067 1.735,1068 1.968,1069 1.989,1070 1.252,1071 1.979,1072 1.766,1073 1.714,1074 1.967,1075 1.974,1076 1.217,1077 1.969,1078 1.703,1079 1.657,1080 1.866,1081 1.912,1082 1.214,1083 1.907,1084 1.661,1085 1.622,1086 1.856,1087 1.863,1088 1.157,1089 1.853,1090 1.615,1091 1.566,1092 1.814,1093 1.834,1094 1.094,1095 1.823,1096 1.59,1097 1.534,1098 1.773,1099 1.804,1100 1.06,1101 1.803,1102 4.99,1104 6.282,1105 2.398,1106 7.736,1107 4.595,1108 9.268,1109 6.605,1110 10.846,1114 22.195,1115 9.887,1116 0.177,1117 18.302,1119 2.27,1120 -9.143,1121 1.254,1123 81.191,1124 232.649,1125 481.057,1126 663.236,1127 786.552,1128 848.101,1129 864.856,1130 488.183,1131 9.031,1132 382.46,1133 433.06,1134 37,1135 13.169,1136 4.524,1137 4.087,1138 180.284,1139 504,1140 531,1141 0.174,1142 513.766,1143 939.29,1144 1245.35,1145 142661,1147 51.166,1148 0.731,1149 0.576,1150 51.873,1151 40.287,1152 33.484,1153 0.459,1154 0.348,1155 22.724,1156 31.11,1157 22.235,1158 18.29,1159 34.609,1160 25.403,1161 29.686,1162 0.306,1163 0.2,1164 30.891,1165 19.376,1166 22.611,1167 0.193,1168 0.117,1169 23.778,1170 13.677,1171 17.531,1172 0.123,1173 0.068,1174 18.805,1175 9.782,1176 14.398,1177 0.083,1178 0.039,1179 15.726,1180 6.798,1181 0.275,1182 221.979,1183 0.146,1184 54.854,1185 0.477,1186 340,1187 1162.45,1188 422.364,1189 1136.12,1190 1454.57,1191 1046,1192 384,1193 947.851,1194 462.289,1195 970.488,1196 1394.44,1197 913,1198 9.041} {0 CHEMBL221436,1 1.743,2 20.167,3 -1.188,4 1.41,5 266.035,6 7.594,7 0.16,8 4.993,9 5.128,10 4.592,11 4.463,12 6.157,13 4.433,14 5.543,15 5.723,16 4.906,17 4.854,18 6.715,19 4.79,20 5.903,21 6.118,22 5.039,23 5.043,24 7.062,25 4.962,26 6.013,27 6.232,28 5.171,29 5.097,30 7.2,31 5.043,32 6.078,33 6.282,34 5.334,35 5.191,36 7.5,37 5.14,38 6.196,39 6.411,40 5.39,41 5.34,42 7.394,43 5.261,44 6.317,45 6.528,46 5.497,47 5.447,48 7.512,49 5.369,50 6.393,51 6.603,52 5.601,53 5.521,54 7.755,55 5.44,56 0.351,57 2.076,58 32.792,59 12.253,60 59.016,61 15.904,62 1.04,63 3.158,64 58.623,65 20.777,66 146.85,67 28.688,68 2.129,69 3.916,70 93.441,71 27.068,72 300.831,73 37.457,74 2.217,75 4.172,76 106.21,77 27.589,78 349.829,79 39.333,80 3.213,81 4.541,82 110.929,83 30.304,84 586.277,85 42.876,86 2.85,87 5.208,88 126.88,89 37.236,90 442.617,91 50.516,92 3.012,93 5.797,94 151.801,95 41.779,96 474.639,97 55.835,98 4.128,99 6.234,100 160.923,101 45.291,102 712.032,103 61.779,104 327,105 101,106 0.239,107 0.506,108 0.706,109 0.832,110 0.885,111 0.895,112 4.292,113 1.031,114 1.45,115 1.22,116 0.88,117 33.6,118 2,119 8,120 1,123 5,124 7,126 9,127 2,128 1,134 10,135 1,136 4,137 4,138 4,139 16,140 1,141 5,142 4,143 11,144 1,145 9,146 2,147 15,148 1,149 1,150 1,151 7,153 9,154 6,155 13,156 1,157 9,160 13,162 1,163 1,164 13,165 1,166 2,167 2,168 10,169 11,170 2,171 10,172 1,173 17,174 1,175 5,176 2,177 3,178 16,179 1,180 10,181 5,182 14,183 1,184 11,185 1,186 1,187 20,189 1,190 4,191 10,192 3,193 13,194 2,196 11,197 14,198 5,199 12,200 4,201 14,202 2,203 19,204 2,206 5,207 13,208 5,209 14,210 4,211 14,213 23,214 1,216 15362,217 46.81,218 46.81,219 46.81,220 46.81,221 46.81,222 43.438,223 49.839,224 28.072,225 47.454,226 36.967,227 36.967,228 36.967,229 36.967,230 36.967,231 31.611,232 43.54,233 13.398,234 37.882,235 5.355,236 3.404,237 1.95,238 1.028,239 0.644,240 0.566,241 4.972,245 2988,246 6.442,249 218.669,250 474.939,253 2.981,254 153.918,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 161.5,265 1452,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.045,275 4.166,276 3.869,277 6.401,278 4.005,279 3.021,280 3.477,281 2.003,282 9.726,283 2.966,284 4.095,285 3.818,286 6.175,287 3.9,288 2.913,289 3.435,290 1.987,291 9.144,292 2.868,293 4.023,294 3.809,295 6.127,296 3.82,297 2.832,298 3.295,299 1.973,300 8.911,301 2.789,302 3.978,303 3.728,304 6.039,305 3.758,306 2.768,307 3.198,308 1.946,309 8.643,310 2.733,311 3.901,312 3.696,313 5.945,314 3.687,315 2.692,316 3.151,317 1.929,318 8.379,319 2.674,320 3.887,321 3.632,322 5.877,323 3.523,324 2.536,325 3.072,326 1.909,327 7.996,328 2.51,329 3.737,330 3.577,331 5.373,332 3.521,333 2.527,334 2.923,335 1.898,336 7,337 2.496,338 3.703,339 3.507,340 5.287,341 3.378,342 2.376,343 2.901,344 1.886,345 6.722,346 2.375,347 3.658,348 3.494,349 5.09,350 3.245,351 2.235,352 2.867,353 1.886,354 5.928,355 2.249,356 3.554,357 3.474,358 5.001,359 3.217,360 2.232,361 2.735,362 1.2,363 5.763,364 2.218,365 3.519,366 3.243,367 4.883,368 3.134,369 2.196,370 2.673,371 0.634,372 5.642,373 2.122,374 3.46,375 2.818,376 4.702,377 3.108,378 2.079,379 2.641,380 0.404,381 5.209,382 2.021,383 3.382,384 2.815,385 4.676,386 3.007,387 2.032,388 2.614,389 0.346,390 5.166,391 1.968,392 3.122,393 2.734,394 4.656,395 2.915,396 1.934,397 2.138,398 0.325,399 4.967,400 1.88,401 33.533,402 0.466,403 2.046,404 0.028,405 75,406 1.042,407 29,408 0.403,409 46,410 0.639,411 111.659,412 1.551,413 84.067,414 0.614,415 98.01,416 1.361,417 14.231,418 0.198,419 19.981,420 0.278,421 0.187,423 0.34,425 0.796,426 1.376,427 0.762,428 1.031,429 0.657,430 1.003,431 0.535,432 1.322,433 0.921,434 1.236,435 0.5,436 1.159,437 1.025,438 1.007,439 1.11,440 1.069,441 1.044,442 1.069,443 1.284,444 1.076,445 1.005,446 0.99,447 1.255,448 0.94,449 0.966,450 1.071,451 0.905,452 0.985,453 0.967,454 0.963,455 1.035,456 0.987,457 1.026,458 1.011,459 1.052,460 0.986,461 1.239,462 1.076,463 1.191,464 1.125,465 1.232,466 1.001,467 0.931,468 1.041,469 1.063,470 1.1,471 0.945,472 1.019,473 16.5,474 1.379,475 8,476 4.743,477 4.903,478 2.927,479 2.407,480 2.493,481 1.666,482 1.342,483 110314,484 350529,485 1.933,486 47.4,487 6,488 26,491 16,492 4,493 13,495 1.939,496 1.77,497 4.234,498 10.598,500 238.733,501 1.743,502 3.695,503 5.148,504 6.07,505 6.454,506 6.532,507 3.649,508 5.781,509 6.142,510 4.45,511 11373.8,512 11.096,513 296130,516 972.43,517 1.538,518 6.073,519 0.22,520 0.008,521 0.079,522 0.044,523 0.04,524 0.021,525 0.016,526 0.015,527 0.009,528 0.007,529 0.459,530 0.17,531 0.5,532 1.63,533 474.427,534 -0.125,535 -0.013,536 0.079,537 0.115,538 -0.071,539 0.064,540 0.159,541 -0.104,542 -0.009,543 -0.122,544 0.1,545 -0.101,546 -0.046,547 0.071,548 -0.108,549 -0.04,550 -0.11,551 -0.075,552 -0.182,553 -0.053,554 0.001,555 0.002,556 -0.149,557 0.033,558 0.153,559 -0.026,560 0.082,561 0.013,562 0.18,563 0.013,564 -0.027,565 0.07,566 0.008,567 0.042,568 -0.053,569 0.016,570 -0.164,571 -0.019,572 -0.055,573 -0.007,574 -0.135,575 0.006,576 0.115,577 0.009,578 0.022,579 -0.011,580 0.127,581 -0.011,582 2.993,583 7.545,584 0.514,585 124.959,586 1.015,587 1.142,588 -2.675,589 7.158,590 0.636,591 4.331,592 4.625,593 4.796,594 4.99,595 5.165,596 5.204,597 5.323,598 5.472,599 5.509,600 5.568,601 11.885,602 0.607,603 1040.38,604 4.331,605 5.866,606 6.678,607 7.533,608 8.368,609 9.226,610 10.073,611 10.934,612 11.788,613 12.652,614 9.5,615 2,620 10,621 1,624 9,627 3,628 12,631 1,634 137,635 23,636 2,637 75,638 140,639 46,640 12,641 3,642 9,644 4,645 4,647 1,649 2,652 9,654 15,655 23,656 23,657 1,658 11,660 10,661 1,662 11,665 65,666 24,667 16,668 26,669 2,670 13,672 1,673 11,676 1,679 1,680 2,683 2,684 7,685 1,686 2,692 4,693 1,694 2,695 2,698 72,699 4,701 1,702 13,703 7,705 2,706 8,707 1,711 8,713 1,714 10,717 40.667,718 23.35,719 16.111,720 7.826,721 1.159,722 1.127,723 0.916,724 25.098,725 10.258,726 4.533,727 4.963,728 5.236,729 5.553,730 5.934,731 5.828,732 5.982,733 6.286,734 6.375,735 6.413,736 0.857,737 109,738 27.545,739 12.337,740 8.19,741 49.542,742 40.128,743 2.69,744 193.667,748 576.784,749 247.01,750 277.574,752 294.133,754 60.363,755 186.646,756 870.917,757 277.574,758 17.65,759 289.181,760 85.286,761 341.179,762 23.157,763 1.899,764 637.147,766 576.784,767 464.22,768 294.133,769 60.363,770 423.76,771 447.157,773 323.617,774 140.603,776 60.363,777 576.784,778 571.706,779 247.01,781 576.784,782 144.073,783 106.061,784 126.075,785 442.507,786 576.784,787 571.706,788 247.01,789 0.576,790 0.315,791 0.161,792 0.091,793 35,794 23,795 0.121,796 17,798 1,799 6.532,800 880.638,802 37,803 430.235,804 2,806 59.626,807 30.306,808 20.485,810 571.706,811 14.765,814 1.22,815 300.347,816 1395.5,817 92,819 135.598,820 3.889,821 -8.068,822 139.05,823 156.417,824 0.246,825 0.52,826 0.725,827 0.855,828 0.909,829 0.92,830 5.787,831 2.527,832 6.663,833 7.996,834 5.313,835 5.652,836 4.224,837 7.425,838 5.271,839 6.946,840 2.376,841 8.202,842 7,843 4.934,844 5.427,845 3.724,846 8.257,847 4.906,848 8.22,849 2.235,850 9.839,851 6.722,852 6.866,853 7.546,854 5.274,855 11.32,856 6.784,857 9.515,858 2.232,859 11.533,860 5.928,861 7.259,862 8.037,863 5.369,864 12.969,865 7.188,866 10.837,867 2.196,868 13.265,869 5.763,870 8.685,871 9.694,872 6.472,873 15.562,874 8.566,875 12.174,876 2.079,877 15.024,878 5.642,879 9.434,880 10.489,881 6.831,882 17.568,883 9.313,884 13.525,885 2.032,886 16.802,887 5.209,888 10.659,889 11.972,890 7.735,891 19.992,892 10.499,893 3.158,894 1.934,895 18.596,896 5.166,897 11.584,898 12.918,899 8.233,900 22.166,901 11.41,902 3.021,903 10.878,904 20.402,905 4.967,906 12.727,907 14.322,908 9.033,909 24.53,910 12.519,911 2.913,912 9.726,913 22.218,914 3.626,915 13.74,916 15.355,917 9.607,918 26.788,919 13.51,920 2.832,921 9.144,922 24.042,923 3.477,924 14.852,925 16.716,926 10.352,927 29.135,928 14.59,929 2.768,930 8.911,931 25.873,932 3.435,933 15.91,934 17.807,935 10.97,936 31.439,937 15.621,938 2.692,939 8.643,940 27.71,941 3.295,942 17.014,943 19.142,944 11.683,945 33.785,946 16.693,947 2.536,948 8.379,949 29.552,950 3.198,951 18.097,952 20.275,953 12.326,954 36.116,955 17.746,956 108989,957 194504,958 47.449,959 87.165,960 111.763,961 120.146,962 114.575,963 109.966,964 109.97,965 130.344,966 46.003,967 303.437,968 107.73,969 5.278,970 5.998,971 6.534,972 5.22,973 5.158,974 6.626,975 3.536,976 18.265,977 5.045,978 52.44,979 1.49,980 1.602,981 1.528,982 1.466,983 1.466,984 1.738,985 0.613,986 4.046,987 1.436,988 4.024,989 4.067,990 4.171,991 3.911,992 7.454,993 3.91,994 3.924,995 3.966,996 3.928,997 3.848,998 7.436,999 3.842,1000 3.911,1001 3.941,1002 3.849,1003 3.777,1004 7.433,1005 3.784,1006 3.842,1007 3.886,1008 3.837,1009 3.674,1010 7.43,1011 3.686,1012 3.793,1013 3.85,1014 3.765,1015 3.626,1016 7.429,1017 3.625,1018 3.739,1019 3.783,1020 3.703,1021 3.599,1022 7.427,1023 3.572,1024 3.718,1025 3.761,1026 3.664,1027 3.553,1028 7.425,1029 3.563,1030 3.638,1031 3.711,1032 3.6,1033 3.476,1034 7.423,1035 3.449,1036 0.057,1037 0.053,1038 0.09,1039 0.055,1040 0.042,1041 4.278,1042 0.048,1043 3.998,1044 0.027,1045 6.732,1046 0.145,1047 4.124,1048 0.041,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.045,1054 1.932,1055 1.903,1056 2.06,1057 2.047,1058 1.291,1059 2.048,1060 1.914,1061 1.888,1062 2.035,1063 2.009,1064 1.27,1065 2.018,1066 1.79,1067 1.744,1068 1.981,1069 1.991,1070 1.241,1071 1.981,1072 1.771,1073 1.719,1074 1.965,1075 1.976,1076 1.214,1077 1.971,1078 1.707,1079 1.663,1080 1.865,1081 1.912,1082 1.213,1083 1.906,1084 1.661,1085 1.622,1086 1.856,1087 1.863,1088 1.155,1089 1.853,1090 1.618,1091 1.569,1092 1.814,1093 1.84,1094 1.092,1095 1.827,1096 1.588,1097 1.534,1098 1.771,1099 1.824,1100 1.058,1101 1.804,1102 5.017,1104 6.319,1105 2.398,1106 7.776,1107 4.595,1108 9.309,1109 6.605,1110 10.887,1111 3.24,1114 21.6,1115 9.892,1116 -0.446,1117 18.34,1119 2.259,1120 -9.865,1121 1.242,1123 83.212,1124 238.733,1125 506.15,1126 705.34,1127 831.636,1128 884.166,1129 894.921,1130 505.023,1131 9.099,1132 394.82,1133 445.42,1134 37,1135 13.202,1136 4.585,1137 4.17,1138 189.199,1139 528,1140 577,1141 0.171,1142 527.225,1143 964.95,1144 1278.19,1145 157220,1147 52.906,1148 0.735,1149 0.579,1150 53.614,1151 41.69,1152 34.212,1153 0.456,1154 0.344,1155 23.094,1156 31.78,1157 22.483,1158 18.556,1159 35.337,1160 25.783,1161 31.227,1162 0.309,1163 0.199,1164 32.432,1165 20.132,1166 23.112,1167 0.193,1168 0.115,1169 24.28,1170 13.843,1171 18.018,1172 0.123,1173 0.068,1174 19.292,1175 9.878,1176 14.431,1177 0.083,1178 0.039,1179 15.759,1180 6.769,1181 0.271,1182 226.674,1183 0.145,1184 56.201,1185 0.465,1186 352,1187 1206.09,1188 436.917,1189 1180.94,1190 1513.8,1191 1086,1192 397,1193 993.809,1194 477.121,1195 1018.55,1196 1459.73,1197 956,1198 9.602} {0 CHEMBL221485,1 1.684,2 19.581,3 0.851,4 0.724,5 276.893,6 7.355,7 0.154,8 5.045,9 5.178,10 4.621,11 4.538,12 6.15,13 4.495,14 5.621,15 5.802,16 4.932,17 4.946,18 6.717,19 4.866,20 6.004,21 6.233,22 5.064,23 5.134,24 7.084,25 5.031,26 6.083,27 6.312,28 5.186,29 5.165,30 7.207,31 5.091,32 6.13,33 6.343,34 5.365,35 5.246,36 7.499,37 5.186,38 6.25,39 6.467,40 5.436,41 5.391,42 7.428,43 5.313,44 6.371,45 6.579,46 5.537,47 5.501,48 7.564,49 5.425,50 6.441,51 6.644,52 5.635,53 5.597,54 7.759,55 5.51,56 0.262,57 2.169,58 35.663,59 13.779,60 48.452,61 17.925,62 0.898,63 3.407,64 64.362,65 23.429,66 135.524,67 32.502,68 2.019,69 4.294,70 104.407,71 31.583,72 287.997,73 44.022,74 2.004,75 4.494,76 114.693,77 31.143,78 323.111,79 44.545,80 2.99,81 4.845,82 118.226,83 32.755,84 560.638,85 46.964,86 2.665,87 5.557,88 134.758,89 39.061,90 406.72,91 53.54,92 2.958,93 6.153,94 160.678,95 44.023,96 480.616,97 58.772,98 3.86,99 6.704,100 167.821,101 48.95,102 701.112,103 66.459,104 226,105 104,106 0.229,107 0.474,108 0.67,109 0.824,110 0.89,111 0.902,112 4.319,113 1.066,114 0.62,115 0.44,116 0.19,117 34.5,119 15,120 1,123 5,124 7,126 9,127 2,128 1,134 10,136 3,137 3,138 3,139 22,140 1,141 4,142 2,143 9,145 10,147 23,148 2,150 1,151 6,153 9,154 6,155 13,156 1,157 14,158 1,160 12,162 1,163 1,164 14,165 1,166 3,167 1,168 10,169 13,170 2,171 9,172 1,173 20,174 1,175 5,177 2,178 21,179 1,180 9,181 6,182 16,183 2,184 9,185 1,187 23,188 1,189 2,190 3,191 12,192 2,193 17,194 2,196 10,197 15,198 4,199 11,200 2,201 18,203 24,204 2,206 4,207 19,208 3,209 12,210 4,211 19,213 28,214 4,216 15394,217 49.042,218 49.042,219 49.042,220 49.042,221 49.042,222 46.059,223 46.118,224 29.767,225 49.563,226 38.476,227 38.476,228 38.476,229 38.476,230 38.476,231 33.598,232 38.54,233 14.23,234 39.204,235 5.496,236 3.69,237 2.246,238 1.112,239 0.626,240 0.538,241 5.008,245 3019,246 6.083,249 220.281,250 691.126,253 2.728,254 154.058,256 0.25,257 0.33,258 0.33,259 0.6,260 1,261 0.17,263 0.38,264 164.5,265 1449,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.045,275 4.148,276 3.862,277 6.246,278 3.971,279 2.986,280 3.476,281 2.003,282 9.385,283 2.933,284 4.083,285 3.817,286 6.166,287 3.892,288 2.905,289 3.435,290 1.987,291 9.109,292 2.859,293 4.023,294 3.806,295 6.093,296 3.81,297 2.822,298 3.272,299 1.973,300 8.826,301 2.78,302 3.972,303 3.728,304 6.019,305 3.757,306 2.766,307 3.198,308 1.946,309 8.616,310 2.733,311 3.892,312 3.692,313 5.92,314 3.674,315 2.679,316 3.144,317 1.929,318 8.286,319 2.663,320 3.877,321 3.629,322 5.845,323 3.528,324 2.536,325 3.061,326 1.909,327 7.96,328 2.514,329 3.737,330 3.574,331 5.373,332 3.521,333 2.532,334 2.915,335 1.898,336 7,337 2.496,338 3.697,339 3.507,340 5.3,341 3.414,342 2.413,343 2.859,344 1.886,345 6.804,346 2.411,347 3.554,348 3.494,349 5.274,350 3.337,351 2.331,352 2.734,353 1.886,354 6.637,355 2.337,356 3.52,357 3.474,358 5.085,359 3.241,360 2.228,361 2.673,362 0.634,363 5.927,364 2.245,365 3.466,366 3.243,367 5.001,368 3.215,369 2.202,370 2.641,371 0.404,372 5.748,373 2.218,374 3.442,375 2.817,376 4.883,377 3.106,378 2.077,379 2.614,380 0.346,381 5.641,382 2.119,383 3.382,384 2.733,385 4.682,386 3.007,387 2.031,388 2.467,389 0.325,390 5.193,391 1.968,392 3.106,393 2.556,394 4.642,395 2.894,396 1.916,397 2.119,398 0.23,399 4.956,400 1.853,401 34.733,402 0.469,403 1.843,404 0.025,405 74.25,406 1.003,407 27.5,408 0.372,409 46.75,410 0.632,411 120.147,412 1.624,413 86.467,414 0.596,415 95.091,416 1.285,417 13.317,418 0.18,419 22.185,420 0.3,421 0.14,423 0.314,425 0.757,426 1.342,427 0.775,428 1.046,429 0.614,430 1.027,431 0.533,432 1.37,433 0.958,434 1.266,435 0.496,436 1.208,437 0.936,438 0.988,439 1.049,440 1.045,441 0.959,442 1.044,443 1.23,444 1.078,445 0.975,446 0.983,447 1.214,448 0.936,449 0.913,450 1.098,451 0.86,452 0.969,453 0.903,454 0.928,455 1.105,456 0.997,457 1.027,458 0.989,459 1.091,460 0.957,461 1.408,462 1.053,463 1.224,464 1.076,465 1.403,466 0.972,467 1.013,468 1.107,469 1.11,470 1.13,471 1.038,472 1.062,473 15.5,474 1.262,475 7.556,476 4.431,477 4.974,478 2.879,479 2.468,480 2.349,481 1.646,482 1.445,483 118189,484 341815,485 1.979,486 49,487 13,488 26,491 14,492 4,493 14,495 1.947,496 1.835,497 4.174,498 8.743,500 244.154,501 1.684,502 3.49,503 4.934,504 6.068,505 6.554,506 6.642,507 3.539,508 5.794,509 6.182,510 4.399,511 11882.8,512 11.187,513 311705,516 1041.09,517 1.468,518 6.128,519 0.199,520 0.006,521 0.073,522 0.04,523 0.04,524 0.02,525 0.016,526 0.014,527 0.009,528 0.007,529 0.422,530 0.17,531 0.38,532 1.447,533 488.794,534 -0.099,535 0.011,536 0.086,537 0.112,538 -0.042,539 0.063,540 0.14,541 -0.158,542 -0.042,543 -0.151,544 0.086,545 -0.138,546 0.008,547 0.063,548 -0.053,549 -0.027,550 -0.063,551 -0.043,552 -0.136,553 -0.064,554 0.032,555 0.002,556 -0.119,557 0.04,558 0.201,559 -0.049,560 0.135,561 0.019,562 0.216,563 0.046,564 -0.034,565 0.076,566 0.019,567 0.041,568 -0.052,569 0.026,570 -0.202,571 0.015,572 -0.072,573 0.018,574 -0.162,575 0.013,576 0.088,577 -0.031,578 -0.023,579 -0.04,580 0.098,581 -0.057,582 2.959,583 7.637,584 0.581,585 124.679,586 1.01,587 1.138,588 -1.855,589 3.439,590 0.636,591 4.369,592 4.654,593 4.844,594 5.05,595 5.247,596 5.278,597 5.403,598 5.557,599 5.631,600 5.7,601 11.655,602 0.602,603 1066.46,604 4.369,605 5.9,606 6.715,607 7.568,608 8.406,609 9.262,610 10.112,611 10.972,612 11.827,613 12.69,614 7.6,615 1,620 10,624 9,627 3,628 12,631 1,634 145,635 22,636 2,637 78,638 149,639 50,640 12,641 3,642 9,644 5,645 5,649 1,652 14,653 1,654 22,655 22,656 28,657 1,658 10,660 10,662 10,665 71,666 22,667 14,668 24,669 2,670 11,672 1,673 11,676 1,679 1,680 3,683 2,684 7,685 1,686 1,692 5,693 1,694 2,698 74,699 3,701 1,702 20,703 7,705 2,706 8,707 1,711 7.6,713 1,714 10,717 40.333,718 24.067,719 16.667,720 8.815,721 1.042,722 1.113,723 0.923,724 25.642,725 10.274,726 4.554,727 4.963,728 5.252,729 5.572,730 5.968,731 5.868,732 6.012,733 6.305,734 6.422,735 6.468,736 0.786,737 112,738 28.402,739 12.774,740 8.088,741 51.991,742 43.03,743 2.588,744 191.5,748 670.953,749 245.202,750 227.891,752 294.133,754 60.363,755 184.838,756 965.085,757 227.891,759 274.026,760 85.286,761 341.179,762 6.371,764 731.316,766 670.953,767 412.729,768 294.133,769 60.363,770 506.157,771 458.928,773 274.026,774 138.704,776 60.363,777 670.953,778 522.024,779 245.202,781 670.953,782 159.916,783 88.411,784 126.075,785 392.824,786 670.953,787 522.024,788 245.202,789 0.57,790 0.316,791 0.165,792 0.096,793 37,794 22,795 0.121,796 18,798 1,799 6.676,800 932.568,802 43,803 447.5,804 2,806 60.295,807 31.47,808 20.483,810 522.024,811 14.993,814 1.28,815 267.45,816 1438.18,817 94,819 137.06,821 -7.405,822 146.381,823 165.081,824 0.235,825 0.486,826 0.687,827 0.845,828 0.913,829 0.925,830 5.805,831 2.532,832 6.686,833 7.96,834 5.342,835 5.652,836 4.187,837 7.44,838 5.309,839 6.946,840 2.413,841 8.215,842 7,843 4.89,844 5.373,845 3.703,846 8.236,847 4.873,848 8.21,849 2.331,850 9.843,851 6.804,852 6.884,853 7.521,854 5.259,855 11.313,856 6.816,857 9.496,858 2.228,859 11.529,860 6.637,861 7.231,862 7.991,863 5.361,864 12.937,865 7.172,866 10.812,867 2.202,868 13.254,869 5.927,870 8.691,871 9.658,872 6.467,873 15.531,874 8.587,875 12.146,876 2.077,877 15.005,878 5.748,879 9.41,880 10.447,881 6.828,882 17.517,883 9.301,884 13.494,885 2.031,886 16.777,887 5.641,888 10.652,889 11.935,890 7.733,891 19.939,892 10.505,893 3.158,894 1.916,895 18.563,896 5.193,897 11.558,898 12.879,899 8.231,900 22.102,901 11.393,902 2.986,903 10.878,904 20.362,905 4.956,906 12.708,907 14.287,908 9.032,909 24.464,910 12.509,911 2.905,912 9.385,913 22.171,914 3.626,915 13.708,916 15.32,917 9.607,918 26.717,919 13.485,920 2.822,921 9.109,922 23.988,923 3.476,924 14.822,925 16.686,926 10.351,927 29.063,928 14.566,929 2.766,930 8.826,931 25.813,932 3.435,933 15.872,934 17.777,935 10.969,936 31.366,937 15.586,938 2.679,939 8.616,940 27.644,941 3.272,942 16.975,943 19.115,944 11.683,945 33.714,946 16.656,947 2.536,948 8.286,949 29.48,950 3.198,951 18.052,952 20.249,953 12.326,954 36.046,955 17.7,956 115254,957 196325,958 50.509,959 92.2,960 115.355,961 123.808,962 117.909,963 113.673,964 113.677,965 132.684,966 43.345,967 311.021,968 111.893,969 5.278,970 5.998,971 6.641,972 5.22,973 5.158,974 6.626,975 3.536,976 18.265,977 5.045,978 48.163,979 1.479,980 1.587,981 1.512,982 1.457,983 1.457,984 1.701,985 0.556,986 3.987,987 1.435,988 4.037,989 4.081,990 4.172,991 3.921,992 7.454,993 3.918,994 3.925,995 3.967,996 3.935,997 3.848,998 7.436,999 3.842,1000 3.913,1001 3.95,1002 3.85,1003 3.806,1004 7.433,1005 3.8,1006 3.892,1007 3.934,1008 3.837,1009 3.76,1010 7.43,1011 3.761,1012 3.806,1013 3.856,1014 3.788,1015 3.643,1016 7.429,1017 3.639,1018 3.779,1019 3.832,1020 3.712,1021 3.617,1022 7.427,1023 3.618,1024 3.735,1025 3.774,1026 3.676,1027 3.577,1028 7.425,1029 3.572,1030 3.676,1031 3.719,1032 3.66,1033 3.533,1034 7.423,1035 3.517,1036 0.055,1037 0.051,1038 0.086,1039 0.053,1040 0.04,1041 4.278,1042 0.046,1043 3.998,1044 0.026,1045 6.732,1046 0.139,1047 4.124,1048 0.039,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.045,1054 1.933,1055 1.903,1056 2.123,1057 2.063,1058 1.528,1059 2.08,1060 1.915,1061 1.888,1062 2.058,1063 2.033,1064 1.334,1065 2.042,1066 1.906,1067 1.856,1068 2.035,1069 2.002,1070 1.258,1071 2.016,1072 1.785,1073 1.733,1074 1.998,1075 1.989,1076 1.221,1077 1.985,1078 1.742,1079 1.699,1080 1.887,1081 1.958,1082 1.217,1083 1.943,1084 1.666,1085 1.624,1086 1.861,1087 1.875,1088 1.164,1089 1.861,1090 1.652,1091 1.611,1092 1.818,1093 1.859,1094 1.121,1095 1.851,1096 1.614,1097 1.561,1098 1.802,1099 1.83,1100 1.082,1101 1.827,1102 5.056,1104 6.351,1105 2.398,1106 7.808,1107 4.595,1108 9.343,1109 6.605,1110 10.921,1114 16.534,1115 9.95,1116 5.478,1117 18.89,1119 2.318,1120 -8.889,1121 1.29,1123 87.276,1124 244.154,1125 506.049,1126 715.398,1127 879.803,1128 950.332,1129 963.087,1130 457.879,1131 9.232,1132 356.44,1133 407.04,1134 43,1135 13.24,1136 4.524,1137 4.087,1138 169.042,1139 545,1140 573,1141 0.151,1142 547.54,1143 1002.43,1144 1327.76,1145 180397,1147 53.572,1148 0.724,1149 0.583,1150 54.279,1151 43.116,1152 35.501,1153 0.455,1154 0.355,1155 25.054,1156 33.175,1157 24.516,1158 20.174,1159 36.626,1160 27.719,1161 31.637,1162 0.304,1163 0.207,1164 32.842,1165 21.538,1166 24.293,1167 0.193,1168 0.123,1169 25.461,1170 15.524,1171 19.032,1172 0.123,1173 0.073,1174 20.306,1175 11.35,1176 15.623,1177 0.083,1178 0.043,1179 16.951,1180 8.08,1181 0.238,1182 233.731,1183 0.141,1184 57.108,1185 0.415,1186 364,1187 1177.14,1188 445.67,1189 1151.78,1190 1481.33,1191 1062,1192 412,1193 971.429,1194 489.789,1195 995.151,1196 1431.48,1197 937,1198 8.721} {0 CHEMBL263090,1 1.694,2 19.507,3 0.395,4 0.156,5 272.292,6 7.411,7 0.156,8 5.026,9 5.159,10 4.61,11 4.519,12 6.138,13 4.478,14 5.601,15 5.78,16 4.922,17 4.927,18 6.706,19 4.85,20 5.983,21 6.21,22 5.055,23 5.116,24 7.074,25 5.016,26 6.064,27 6.29,28 5.178,29 5.147,30 7.198,31 5.077,32 6.112,33 6.323,34 5.36,35 5.229,36 7.495,37 5.172,38 6.234,39 6.449,40 5.426,41 5.375,42 7.43,43 5.298,44 6.353,45 6.561,46 5.522,47 5.484,48 7.547,49 5.408,50 6.421,51 6.624,52 5.621,53 5.578,54 7.738,55 5.491,56 0.274,57 2.131,58 34.724,59 13.443,60 49.776,61 17.392,62 0.908,63 3.345,64 62.702,65 22.862,66 135.88,67 31.598,68 2.032,69 4.217,70 102.156,71 30.863,72 289.55,73 42.82,74 2.032,75 4.418,76 112.448,77 30.453,78 327.621,79 43.34,80 3.014,81 4.77,82 115.793,83 32.139,84 560.203,85 45.789,86 2.734,87 5.47,88 132.429,89 38.376,90 418.931,91 52.338,92 2.965,93 6.043,94 157.941,95 43.362,96 485.68,97 57.59,98 3.825,99 6.589,100 164.397,101 48.062,102 687.449,103 64.995,104 223,105 103,106 0.231,107 0.479,108 0.676,109 0.828,110 0.889,111 0.901,112 4.306,113 1.06,114 0.78,115 0.59,116 0.32,117 34.5,119 14,120 1,123 5,124 7,126 9,127 2,128 1,134 10,136 3,137 3,138 3,139 21,140 1,141 4,142 2,143 9,145 10,147 22,148 2,150 1,151 6,153 9,154 6,155 13,156 1,157 14,158 1,160 12,162 1,163 1,164 12,165 1,166 3,168 10,169 12,170 2,171 9,172 2,173 19,174 2,175 5,177 2,178 20,179 2,180 10,181 6,182 16,183 2,184 9,185 1,187 22,188 1,189 2,190 2,191 12,192 1,193 16,194 2,196 10,197 14,198 4,199 11,200 2,201 18,203 23,204 2,206 4,207 18,208 3,209 12,210 5,211 19,212 2,213 28,214 4,215 1,216 14506,217 48.335,218 48.335,219 48.335,220 48.335,221 48.335,222 45.352,223 46.118,224 29.267,225 48.856,226 37.976,227 37.976,228 37.976,229 37.976,230 37.976,231 33.098,232 38.54,233 13.976,234 38.704,235 5.456,236 3.635,237 2.189,238 1.076,239 0.625,240 0.535,241 4.994,245 2970,246 6,249 215.963,250 678.519,253 2.692,254 153.158,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 162.5,265 1424,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.045,275 4.148,276 3.862,277 6.246,278 3.971,279 2.986,280 3.476,281 2.003,282 9.385,283 2.933,284 4.083,285 3.817,286 6.166,287 3.892,288 2.905,289 3.435,290 1.987,291 9.109,292 2.859,293 4.023,294 3.806,295 6.093,296 3.81,297 2.822,298 3.272,299 1.973,300 8.826,301 2.78,302 3.972,303 3.728,304 6.019,305 3.757,306 2.766,307 3.198,308 1.946,309 8.616,310 2.733,311 3.892,312 3.692,313 5.92,314 3.674,315 2.679,316 3.144,317 1.929,318 8.286,319 2.663,320 3.877,321 3.629,322 5.845,323 3.527,324 2.536,325 3.061,326 1.909,327 7.96,328 2.514,329 3.737,330 3.574,331 5.373,332 3.521,333 2.532,334 2.915,335 1.898,336 7,337 2.496,338 3.697,339 3.507,340 5.3,341 3.414,342 2.413,343 2.859,344 1.886,345 6.804,346 2.411,347 3.554,348 3.494,349 5.274,350 3.337,351 2.331,352 2.734,353 1.886,354 6.637,355 2.337,356 3.52,357 3.474,358 5.085,359 3.241,360 2.228,361 2.673,362 0.634,363 5.927,364 2.245,365 3.466,366 3.243,367 5.001,368 3.215,369 2.201,370 2.641,371 0.404,372 5.748,373 2.218,374 3.442,375 2.817,376 4.883,377 3.106,378 2.077,379 2.614,380 0.346,381 5.641,382 2.119,383 3.382,384 2.733,385 4.682,386 3.007,387 2.031,388 2.467,389 0.325,390 5.192,391 1.968,392 3.106,393 2.556,394 4.642,395 2.894,396 1.916,397 2.119,398 0.23,399 4.956,400 1.853,401 34.233,402 0.469,403 1.843,404 0.025,405 73.75,406 1.01,407 27.5,408 0.377,409 46.25,410 0.634,411 117.236,412 1.606,413 85.167,414 0.6,415 94.43,416 1.294,417 13.317,418 0.182,419 21.685,420 0.297,421 0.142,423 0.318,425 0.759,426 1.339,427 0.768,428 1.038,429 0.615,430 1.019,431 0.535,432 1.368,433 0.954,434 1.262,435 0.498,436 1.203,437 0.942,438 0.988,439 1.054,440 1.047,441 0.964,442 1.046,443 1.236,444 1.08,445 0.978,446 0.984,447 1.219,448 0.936,449 0.91,450 1.095,451 0.86,452 0.971,453 0.901,454 0.931,455 1.098,456 0.99,457 1.032,458 0.989,459 1.083,460 0.962,461 1.397,462 1.06,463 1.226,464 1.08,465 1.394,466 0.976,467 0.992,468 1.104,469 1.107,470 1.133,471 1.019,472 1.063,473 15.5,474 1.225,475 7.556,476 4.431,477 4.974,478 2.879,479 2.427,480 2.318,481 1.646,482 1.405,483 113618,484 333634,485 1.979,486 48.6,487 11,488 26,491 14,492 4,493 14,495 1.944,496 1.833,497 4.165,498 8.777,500 240.548,501 1.694,502 3.514,503 4.961,504 6.074,505 6.525,506 6.615,507 3.532,508 5.888,509 6.163,510 4.378,511 11505.2,512 11.149,513 298175,516 1015.26,517 1.475,518 6.107,519 0.201,520 0.006,521 0.073,522 0.04,523 0.04,524 0.02,525 0.015,526 0.014,527 0.009,528 0.007,529 0.426,530 0.17,531 0.38,532 1.402,533 480.207,534 -0.101,535 0.011,536 0.086,537 0.115,538 -0.044,539 0.065,540 0.138,541 -0.156,542 -0.042,543 -0.15,544 0.085,545 -0.137,546 0.003,547 0.064,548 -0.059,549 -0.029,550 -0.067,551 -0.047,552 -0.142,553 -0.065,554 0.028,555 0.001,556 -0.125,557 0.039,558 0.203,559 -0.045,560 0.133,561 0.016,562 0.216,563 0.043,564 -0.03,565 0.082,566 0.012,567 0.04,568 -0.045,569 0.02,570 -0.207,571 0.004,572 -0.076,573 0.017,574 -0.166,575 0.012,576 0.088,577 -0.028,578 -0.022,579 -0.042,580 0.092,581 -0.057,582 2.96,583 7.596,584 0.589,585 120.581,586 1.011,587 1.138,588 -2.011,589 4.045,590 0.637,591 4.357,592 4.644,593 4.836,594 5.043,595 5.242,596 5.268,597 5.389,598 5.545,599 5.62,600 5.684,601 11.489,602 0.604,603 1052.43,604 4.357,605 5.889,606 6.706,607 7.56,608 8.399,609 9.256,610 10.106,611 10.967,612 11.823,613 12.686,614 7.7,615 1,620 10,624 9,627 3,628 12,631 1,634 142,635 22,636 2,637 77,638 146,639 49,640 12,641 3,642 9,644 5,645 5,649 1,652 14,653 1,654 21,655 22,656 27,657 1,658 10,660 10,662 10,665 69,666 22,667 14,668 24,669 2,670 11,672 1,673 11,676 1,679 1,680 3,683 2,684 7,685 1,686 1,692 5,693 1,694 2,698 73,699 3,701 1,702 19,703 7,705 2,706 8,707 1,711 7.7,713 1,714 10,717 39.833,718 23.567,719 16.417,720 8.565,721 1.051,722 1.114,723 0.924,724 24.951,725 10.254,726 4.543,727 4.956,728 5.247,729 5.568,730 5.966,731 5.862,732 6.002,733 6.298,734 6.417,735 6.458,736 0.786,737 111,738 28.018,739 12.628,740 8.103,741 51.175,742 42.363,743 2.603,744 190,748 647.411,749 242.667,750 227.891,752 294.133,754 60.363,755 182.304,756 941.543,757 227.891,759 271.491,760 85.286,761 341.179,762 6.371,764 707.774,766 647.411,767 410.195,768 294.133,769 60.363,770 482.615,771 458.928,773 271.491,774 138.704,776 60.363,777 647.411,778 522.024,779 242.667,781 647.411,782 157.381,783 88.411,784 126.075,785 392.824,786 647.411,787 522.024,788 242.667,789 0.571,790 0.318,791 0.166,792 0.097,793 37,794 22,795 0.116,796 17,798 1,799 6.607,800 917.657,802 43,803 439.857,804 2,806 59.307,807 30.712,808 19.903,810 522.024,811 14.981,814 1.278,815 267.45,816 1412.1,817 93,819 136.692,821 -7.464,822 143.497,823 161.666,824 0.237,825 0.492,826 0.694,827 0.85,828 0.913,829 0.925,830 5.796,831 2.532,832 6.678,833 7.96,834 5.333,835 5.645,836 4.187,837 7.435,838 5.299,839 6.939,840 2.413,841 8.209,842 7,843 4.89,844 5.373,845 3.703,846 8.236,847 4.873,848 8.204,849 2.331,850 9.839,851 6.804,852 6.878,853 7.517,854 5.259,855 11.312,856 6.81,857 9.492,858 2.228,859 11.526,860 6.637,861 7.231,862 7.991,863 5.361,864 12.937,865 7.172,866 10.809,867 2.201,868 13.252,869 5.927,870 8.688,871 9.657,872 6.467,873 15.53,874 8.583,875 12.144,876 2.077,877 15.004,878 5.748,879 9.41,880 10.447,881 6.828,882 17.517,883 9.301,884 13.492,885 2.031,886 16.776,887 5.641,888 10.651,889 11.934,890 7.733,891 19.939,892 10.503,893 3.158,894 1.916,895 18.563,896 5.192,897 11.558,898 12.879,899 8.231,900 22.102,901 11.393,902 2.986,903 10.878,904 20.362,905 4.956,906 12.707,907 14.287,908 9.032,909 24.464,910 12.508,911 2.905,912 9.385,913 22.171,914 3.626,915 13.708,916 15.32,917 9.607,918 26.717,919 13.484,920 2.822,921 9.109,922 23.988,923 3.476,924 14.821,925 16.686,926 10.351,927 29.063,928 14.565,929 2.766,930 8.826,931 25.813,932 3.435,933 15.872,934 17.777,935 10.969,936 31.366,937 15.586,938 2.679,939 8.616,940 27.644,941 3.272,942 16.974,943 19.115,944 11.683,945 33.714,946 16.656,947 2.536,948 8.286,949 29.48,950 3.198,951 18.052,952 20.249,953 12.326,954 36.046,955 17.7,956 110724,957 190051,958 49.816,959 90.438,960 113.881,961 122.384,962 116.677,963 112.257,964 112.283,965 131.283,966 43.345,967 308.284,968 110.504,969 5.278,970 5.998,971 6.593,972 5.22,973 5.158,974 6.626,975 3.536,976 18.265,977 5.045,978 47.735,979 1.479,980 1.589,981 1.515,982 1.458,983 1.458,984 1.705,985 0.563,986 4.004,987 1.435,988 4.035,989 4.08,990 4.172,991 3.92,992 7.454,993 3.918,994 3.924,995 3.967,996 3.934,997 3.848,998 7.436,999 3.842,1000 3.913,1001 3.949,1002 3.85,1003 3.806,1004 7.433,1005 3.8,1006 3.892,1007 3.934,1008 3.837,1009 3.759,1010 7.43,1011 3.76,1012 3.803,1013 3.851,1014 3.788,1015 3.637,1016 7.429,1017 3.634,1018 3.774,1019 3.828,1020 3.71,1021 3.601,1022 7.427,1023 3.607,1024 3.735,1025 3.774,1026 3.675,1027 3.577,1028 7.425,1029 3.571,1030 3.675,1031 3.719,1032 3.66,1033 3.532,1034 7.423,1035 3.516,1036 0.056,1037 0.052,1038 0.087,1039 0.054,1040 0.041,1041 4.278,1042 0.047,1043 3.998,1044 0.026,1045 6.732,1046 0.141,1047 4.124,1048 0.04,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.045,1054 1.933,1055 1.903,1056 2.123,1057 2.063,1058 1.528,1059 2.08,1060 1.915,1061 1.888,1062 2.058,1063 2.033,1064 1.287,1065 2.042,1066 1.906,1067 1.856,1068 2.035,1069 2.002,1070 1.258,1071 2.016,1072 1.77,1073 1.722,1074 1.968,1075 1.985,1076 1.221,1077 1.974,1078 1.739,1079 1.695,1080 1.886,1081 1.956,1082 1.214,1083 1.941,1084 1.665,1085 1.624,1086 1.856,1087 1.874,1088 1.164,1089 1.859,1090 1.647,1091 1.607,1092 1.818,1093 1.856,1094 1.121,1095 1.846,1096 1.604,1097 1.551,1098 1.799,1099 1.806,1100 1.082,1101 1.808,1102 5.043,1104 6.34,1105 2.398,1106 7.8,1107 4.595,1108 9.336,1109 6.605,1110 10.916,1114 16.521,1115 9.943,1116 4.583,1117 18.801,1119 2.311,1120 -8.925,1121 1.279,1123 85.75,1124 240.548,1125 499.055,1126 704.49,1127 862.47,1128 926.509,1129 939.264,1130 447.798,1131 9.203,1132 356.44,1133 407.04,1134 43,1135 13.236,1136 4.524,1137 4.087,1138 165.252,1139 534,1140 564,1141 0.152,1142 537.948,1143 985.13,1144 1304.35,1145 173459,1147 52.865,1148 0.724,1149 0.581,1150 53.572,1151 42.408,1152 35.001,1153 0.455,1154 0.353,1155 24.554,1156 32.675,1157 24.026,1158 19.757,1159 36.126,1160 27.219,1161 31.283,1162 0.304,1163 0.206,1164 32.488,1165 21.185,1166 24.043,1167 0.192,1168 0.122,1169 25.211,1170 15.274,1171 18.842,1172 0.122,1173 0.073,1174 20.116,1175 11.179,1176 15.555,1177 0.083,1178 0.042,1179 16.883,1180 7.97,1181 0.239,1182 230.731,1183 0.142,1184 56.484,1185 0.418,1186 360,1187 1173.14,1188 441.67,1189 1147.62,1190 1475.57,1191 1058,1192 408,1193 967.429,1194 485.789,1195 990.99,1196 1425.72,1197 933,1198 8.523} {0 CHEMBL265858,1 1.71,2 20.276,3 0.198,4 0.039,5 282.714,6 7.445,7 0.15,8 5.063,9 5.198,10 4.646,11 4.544,12 6.19,13 4.508,14 5.629,15 5.81,16 4.96,17 4.949,18 6.758,19 4.875,20 6.004,21 6.23,22 5.081,23 5.137,24 7.104,25 5.041,26 6.09,27 6.317,28 5.201,29 5.174,30 7.222,31 5.104,32 6.145,33 6.359,34 5.379,35 5.257,36 7.515,37 5.198,38 6.262,39 6.481,40 5.448,41 5.399,42 7.446,43 5.322,44 6.378,45 6.587,46 5.555,47 5.507,48 7.568,49 5.434,50 6.45,51 6.654,52 5.663,53 5.603,54 7.783,55 5.522,56 0.313,57 2.226,58 35.705,59 13.48,60 55.474,61 17.671,62 1,63 3.45,64 64.189,65 23.243,66 146.042,67 32.204,68 2.133,69 4.3,70 103.811,71 30.714,72 301.242,73 43.051,74 2.13,75 4.509,76 114.898,77 30.891,78 341.209,79 44.364,80 3.115,81 4.884,82 119.278,83 32.851,84 573.981,85 47.276,86 2.839,87 5.578,88 135.904,89 39.132,90 430.681,91 53.876,92 3.07,93 6.171,94 160.962,95 44.057,96 490.817,97 59.037,98 4.046,99 6.763,100 168.235,101 48.471,102 714.333,103 66.153,104 256,105 107,106 0.231,107 0.486,108 0.679,109 0.83,110 0.885,111 0.897,112 4.345,113 1.047,114 0.81,115 0.62,116 0.34,117 34,119 14,120 1,123 5,124 7,126 9,127 2,128 1,134 10,135 1,136 4,137 4,138 4,139 21,140 1,141 5,142 4,143 11,144 1,145 9,146 2,147 22,148 1,149 1,150 1,151 7,153 9,154 6,155 12,156 1,157 14,160 12,162 1,163 1,164 14,165 1,166 3,167 2,168 10,169 12,170 2,171 10,172 1,173 21,174 1,175 5,176 2,177 3,178 20,179 1,180 10,181 5,182 16,183 1,184 9,185 1,186 1,187 22,189 1,190 4,191 12,192 3,193 16,194 2,196 11,197 15,198 5,199 12,200 4,201 17,202 2,203 23,204 1,206 5,207 19,208 5,209 14,210 4,211 18,213 28,214 3,216 17252,217 50.033,218 50.033,219 50.033,220 50.033,221 50.033,222 46.662,223 49.839,224 30.232,225 50.681,226 39.493,227 39.493,228 39.493,229 39.493,230 39.493,231 34.133,232 43.54,233 14.505,234 40.409,235 5.49,236 3.61,237 2.182,238 1.067,239 0.658,240 0.571,241 5.033,245 3207,246 6.325,249 229.025,250 716.666,253 2.927,254 158.842,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 169.5,265 1541,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.045,275 4.148,276 3.862,277 6.246,278 3.971,279 2.986,280 3.476,281 2.003,282 9.385,283 2.933,284 4.083,285 3.817,286 6.166,287 3.892,288 2.905,289 3.435,290 1.987,291 9.109,292 2.859,293 4.023,294 3.806,295 6.093,296 3.81,297 2.822,298 3.272,299 1.973,300 8.826,301 2.78,302 3.972,303 3.728,304 6.019,305 3.757,306 2.766,307 3.198,308 1.946,309 8.616,310 2.733,311 3.892,312 3.692,313 5.92,314 3.674,315 2.679,316 3.144,317 1.929,318 8.286,319 2.663,320 3.877,321 3.629,322 5.845,323 3.528,324 2.536,325 3.062,326 1.909,327 7.96,328 2.514,329 3.737,330 3.574,331 5.373,332 3.521,333 2.532,334 2.916,335 1.898,336 7,337 2.496,338 3.697,339 3.507,340 5.3,341 3.414,342 2.413,343 2.901,344 1.886,345 6.804,346 2.411,347 3.658,348 3.494,349 5.274,350 3.337,351 2.331,352 2.859,353 1.886,354 6.637,355 2.337,356 3.554,357 3.474,358 5.085,359 3.241,360 2.235,361 2.734,362 1.2,363 5.927,364 2.245,365 3.519,366 3.243,367 5.001,368 3.217,369 2.227,370 2.673,371 0.634,372 5.748,373 2.218,374 3.466,375 2.817,376 4.883,377 3.134,378 2.196,379 2.641,380 0.404,381 5.641,382 2.119,383 3.442,384 2.815,385 4.684,386 3.105,387 2.076,388 2.614,389 0.346,390 5.209,391 2.021,392 3.382,393 2.733,394 4.657,395 3.007,396 2.031,397 2.467,398 0.325,399 5.166,400 1.968,401 35.533,402 0.468,403 1.987,404 0.026,405 77.5,406 1.02,407 29,408 0.382,409 48.5,410 0.638,411 122.466,412 1.611,413 88.667,414 0.603,415 100.793,416 1.326,417 14.237,418 0.187,419 22.12,420 0.291,421 0.148,423 0.321,425 0.784,426 1.358,427 0.773,428 1.038,429 0.639,430 1.013,431 0.524,432 1.334,433 0.945,434 1.264,435 0.484,436 1.199,437 0.974,438 0.986,439 1.079,440 1.054,441 0.987,442 1.059,443 1.233,444 1.079,445 0.988,446 0.999,447 1.221,448 0.953,449 0.906,450 1.084,451 0.865,452 0.977,453 0.901,454 0.939,455 1.084,456 0.985,457 1.023,458 0.992,459 1.083,460 0.961,461 1.359,462 1.056,463 1.201,464 1.087,465 1.371,466 0.971,467 0.983,468 1.087,469 1.097,470 1.132,471 1.003,472 1.057,473 16.5,474 1.354,475 7.778,476 4.556,477 5.054,478 2.879,479 2.509,480 2.443,481 1.72,482 1.465,483 127959,484 382292,485 1.972,486 48.3,487 11,488 26,491 16,492 4,493 14,495 1.952,496 1.824,497 4.224,498 10.441,500 251.368,501 1.71,502 3.589,503 5.018,504 6.133,505 6.541,506 6.628,507 3.627,508 5.774,509 6.22,510 4.449,511 12680,512 11.261,513 340636,516 1058.35,517 1.484,518 6.163,519 0.206,520 0.007,521 0.073,522 0.04,523 0.04,524 0.019,525 0.016,526 0.014,527 0.009,528 0.007,529 0.43,530 0.17,531 0.38,532 1.517,533 506.181,534 -0.114,535 0.003,536 0.08,537 0.116,538 -0.054,539 0.067,540 0.158,541 -0.117,542 -0.032,543 -0.145,544 0.103,545 -0.132,546 -0.02,547 0.073,548 -0.083,549 -0.031,550 -0.08,551 -0.06,552 -0.148,553 -0.066,554 0.016,555 -0.005,556 -0.129,557 0.029,558 0.191,559 -0.043,560 0.126,561 0.017,562 0.207,563 0.041,564 -0.03,565 0.076,566 0.019,567 0.045,568 -0.051,569 0.029,570 -0.188,571 0.003,572 -0.055,573 0.019,574 -0.158,575 0.024,576 0.101,577 -0.009,578 -0.014,579 -0.038,580 0.111,581 -0.05,582 2.977,583 7.677,584 0.566,585 133.684,586 1.012,587 1.141,588 -2.041,589 4.165,590 0.636,591 4.394,592 4.682,593 4.86,594 5.063,595 5.257,596 5.288,597 5.421,598 5.58,599 5.652,600 5.72,601 12.016,602 0.604,603 1094.48,604 4.394,605 5.927,606 6.739,607 7.591,608 8.426,609 9.282,610 10.128,611 10.987,612 11.841,613 12.702,614 8.8,615 2,620 10,621 1,624 9,627 3,628 12,631 1,634 147,635 23,636 2,637 80,638 151,639 50,640 12,641 3,642 9,644 5,645 5,647 1,652 14,653 1,654 21,655 23,656 27,657 1,658 11,660 10,661 1,662 11,665 71,666 24,667 16,668 26,669 2,670 13,672 1,673 11,676 1,679 1,680 3,683 2,684 7,685 1,686 2,692 5,693 1,694 2,698 76,699 4,701 1,702 19,703 7,705 2,706 8,707 1,711 7.5,713 1,714 10,717 41.667,718 24.35,719 17,720 8.715,721 1.081,722 1.116,723 0.925,724 26.136,725 10.37,726 4.585,727 5.004,728 5.278,729 5.591,730 5.981,731 5.885,732 6.041,733 6.341,734 6.452,735 6.495,736 0.857,737 114,738 29.121,739 13.083,740 8.114,741 53.027,742 43.648,743 2.614,744 198.667,748 647.411,749 244.566,750 277.574,752 294.133,754 60.363,755 184.203,756 941.543,757 277.574,759 304.388,760 85.286,761 341.179,762 23.157,763 1.899,764 707.774,766 647.411,767 461.777,768 294.133,769 60.363,770 482.615,771 458.928,773 321.174,774 140.603,776 60.363,777 647.411,778 571.706,779 244.566,781 647.411,782 159.28,783 88.411,784 126.075,785 442.507,786 647.411,787 571.706,788 244.566,789 0.573,790 0.313,791 0.162,792 0.094,793 38,794 23,795 0.119,796 18,798 1,799 6.805,800 962.824,802 43,803 460.842,804 2,806 61.913,807 32.082,808 21.437,810 571.706,811 14.947,814 1.26,815 300.347,816 1463.68,817 97,819 137.397,820 3.905,821 -7.832,822 148.701,823 167.662,824 0.238,825 0.499,826 0.697,827 0.852,828 0.909,829 0.921,830 5.838,831 2.532,832 6.713,833 7.96,834 5.371,835 5.694,836 4.224,837 7.463,838 5.331,839 6.985,840 2.413,841 8.24,842 7,843 4.934,844 5.427,845 3.724,846 8.255,847 4.906,848 8.252,849 2.331,850 9.866,851 6.804,852 6.911,853 7.569,854 5.274,855 11.324,856 6.833,857 9.54,858 2.235,859 11.549,860 6.637,861 7.259,862 8.037,863 5.369,864 12.943,865 7.19,866 10.856,867 2.227,868 13.27,869 5.927,870 8.712,871 9.703,872 6.472,873 15.535,874 8.598,875 12.189,876 2.196,877 15.019,878 5.748,879 9.428,880 10.486,881 6.831,882 17.519,883 9.31,884 13.535,885 2.076,886 16.788,887 5.641,888 10.667,889 11.972,890 7.735,891 19.94,892 10.512,893 3.158,894 2.031,895 18.572,896 5.209,897 11.569,898 12.911,899 8.233,900 22.102,901 11.398,902 2.986,903 10.878,904 20.369,905 5.166,906 12.717,907 14.316,908 9.033,909 24.464,910 12.513,911 2.905,912 9.385,913 22.176,914 3.626,915 13.715,916 15.345,917 9.607,918 26.717,919 13.487,920 2.822,921 9.109,922 23.992,923 3.476,924 14.828,925 16.707,926 10.352,927 29.063,928 14.568,929 2.766,930 8.826,931 25.816,932 3.435,933 15.876,934 17.795,935 10.97,936 31.366,937 15.587,938 2.679,939 8.616,940 27.646,941 3.272,942 16.978,943 19.131,944 11.683,945 33.714,946 16.657,947 2.536,948 8.286,949 29.482,950 3.198,951 18.054,952 20.262,953 12.326,954 36.046,955 17.701,956 124930,957 216249,958 51.608,959 93.45,960 118.633,961 126.999,962 120.88,963 116.88,964 116.878,965 137.25,966 46.003,967 319.886,968 114.64,969 5.278,970 5.998,971 6.534,972 5.22,973 5.158,974 6.626,975 3.536,976 18.265,977 5.045,978 50.932,979 1.483,980 1.587,981 1.511,982 1.461,983 1.461,984 1.716,985 0.575,986 3.999,987 1.433,988 4.037,989 4.082,990 4.172,991 3.921,992 7.454,993 3.918,994 3.924,995 3.967,996 3.935,997 3.848,998 7.436,999 3.842,1000 3.913,1001 3.95,1002 3.851,1003 3.806,1004 7.433,1005 3.8,1006 3.892,1007 3.934,1008 3.837,1009 3.76,1010 7.43,1011 3.761,1012 3.805,1013 3.856,1014 3.788,1015 3.638,1016 7.429,1017 3.636,1018 3.779,1019 3.833,1020 3.714,1021 3.608,1022 7.427,1023 3.614,1024 3.735,1025 3.774,1026 3.678,1027 3.577,1028 7.425,1029 3.571,1030 3.676,1031 3.72,1032 3.661,1033 3.532,1034 7.423,1035 3.517,1036 0.053,1037 0.05,1038 0.084,1039 0.052,1040 0.039,1041 4.278,1042 0.045,1043 3.998,1044 0.025,1045 6.732,1046 0.136,1047 4.124,1048 0.038,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.045,1054 1.933,1055 1.903,1056 2.123,1057 2.063,1058 1.528,1059 2.08,1060 1.915,1061 1.888,1062 2.058,1063 2.033,1064 1.291,1065 2.042,1066 1.906,1067 1.856,1068 2.035,1069 2.002,1070 1.258,1071 2.016,1072 1.773,1073 1.724,1074 1.965,1075 1.987,1076 1.221,1077 1.975,1078 1.74,1079 1.696,1080 1.886,1081 1.957,1082 1.214,1083 1.941,1084 1.665,1085 1.624,1086 1.856,1087 1.875,1088 1.164,1089 1.859,1090 1.649,1091 1.608,1092 1.818,1093 1.859,1094 1.121,1095 1.848,1096 1.607,1097 1.554,1098 1.799,1099 1.831,1100 1.082,1101 1.817,1102 5.081,1104 6.378,1105 2.398,1106 7.834,1107 4.595,1108 9.365,1109 6.605,1110 10.939,1114 21.754,1115 9.957,1116 4.078,1117 18.783,1119 2.288,1120 -9.13,1121 1.262,1123 88.792,1124 251.368,1125 527.645,1126 737.577,1127 901.558,1128 961.597,1129 974.352,1130 474.259,1131 9.289,1132 394.82,1133 445.42,1134 43,1135 13.254,1136 4.585,1137 4.17,1138 176.758,1139 569,1140 625,1141 0.149,1142 558.201,1143 1021.79,1144 1353.77,1145 194865,1147 55.149,1148 0.726,1149 0.578,1150 55.856,1151 43.933,1152 36.357,1153 0.454,1154 0.349,1155 25.239,1156 33.923,1157 24.698,1158 20.313,1159 37.482,1160 27.928,1161 32.819,1162 0.307,1163 0.203,1164 34.024,1165 21.703,1166 24.721,1167 0.193,1168 0.121,1169 25.889,1170 15.522,1171 19.334,1172 0.123,1173 0.072,1174 20.608,1175 11.36,1176 15.851,1177 0.083,1178 0.042,1179 17.178,1180 8.08,1181 0.235,1182 239.544,1183 0.139,1184 58.368,1185 0.408,1186 374,1187 1228.09,1188 458.917,1189 1202.83,1190 1546.86,1191 1108,1192 422,1193 1018.81,1194 501.954,1195 1043.2,1196 1496.56,1197 981,1198 8.854} {0 CHEMBL265859,1 1.732,2 20.192,3 -0.799,4 0.638,5 270.713,6 7.531,7 0.158,8 5.012,9 5.148,10 4.603,11 4.483,12 6.168,13 4.451,14 5.565,15 5.747,16 4.915,17 4.874,18 6.726,19 4.807,20 5.926,21 6.143,22 5.041,23 5.062,24 7.071,25 4.976,26 6.031,27 6.254,28 5.176,29 5.113,30 7.198,31 5.054,32 6.09,33 6.295,34 5.351,35 5.208,36 7.502,37 5.157,38 6.222,39 6.439,40 5.405,41 5.356,42 7.424,43 5.277,44 6.33,45 6.539,46 5.51,47 5.461,48 7.526,49 5.385,50 6.403,51 6.608,52 5.617,53 5.548,54 7.753,55 5.465,56 0.338,57 2.114,58 33.743,59 12.585,60 57.831,61 16.439,62 1.03,63 3.22,64 60.301,65 21.341,66 147.227,67 29.593,68 2.123,69 3.986,70 95.851,71 27.819,72 298.071,73 38.709,74 2.187,75 4.233,76 108.71,77 28.422,78 353.012,79 40.75,80 3.119,81 4.633,82 112.185,83 30.637,84 569.779,85 43.803,86 2.916,87 5.305,88 130.833,89 37.608,90 443.788,91 51.41,92 3.062,93 5.858,94 154.085,95 42.317,96 497.394,97 56.464,98 3.986,99 6.401,100 160.972,101 46.056,102 693.913,103 62.993,104 334,105 102,106 0.237,107 0.502,108 0.702,109 0.83,110 0.884,111 0.896,112 4.306,113 1.037,114 1.28,115 1.07,116 0.75,117 33.6,118 2,119 9,120 1,123 5,124 7,126 9,127 2,128 1,134 10,135 1,136 4,137 4,138 4,139 17,140 1,141 5,142 4,143 11,144 1,145 9,146 2,147 17,148 1,149 1,150 1,151 7,153 9,154 6,155 12,156 1,157 9,160 12,162 1,163 1,164 14,165 1,166 2,167 2,168 10,169 12,170 2,171 10,172 1,173 19,174 1,175 5,176 2,177 3,178 18,179 1,180 10,181 5,182 13,183 1,184 9,185 1,186 1,187 19,189 1,190 4,191 11,192 3,193 16,194 2,196 11,197 14,198 5,199 12,200 4,201 15,202 2,203 19,204 1,206 5,207 17,208 5,209 14,210 4,211 15,213 24,214 3,216 15840,217 47.464,218 47.464,219 47.464,220 47.464,221 47.464,222 44.093,223 49.839,224 28.57,225 48.112,226 37.493,227 37.493,228 37.493,229 37.493,230 37.493,231 32.133,232 43.54,233 13.683,234 38.409,235 5.398,236 3.454,237 1.988,238 1.049,239 0.659,240 0.568,241 4.986,245 3031,246 6.519,249 221.579,250 480.802,253 2.962,254 155.054,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 163.5,265 1474,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.045,275 4.147,276 3.862,277 6.243,278 3.967,279 2.983,280 3.476,281 2.003,282 9.369,283 2.928,284 4.082,285 3.817,286 6.166,287 3.89,288 2.903,289 3.435,290 1.987,291 9.104,292 2.857,293 4.023,294 3.806,295 6.091,296 3.807,297 2.819,298 3.271,299 1.973,300 8.813,301 2.776,302 3.972,303 3.728,304 6.017,305 3.756,306 2.766,307 3.198,308 1.946,309 8.609,310 2.733,311 3.891,312 3.692,313 5.918,314 3.651,315 2.656,316 3.144,317 1.929,318 8.25,319 2.637,320 3.872,321 3.629,322 5.836,323 3.522,324 2.536,325 3.06,326 1.909,327 7.923,328 2.506,329 3.737,330 3.574,331 5.373,332 3.517,333 2.52,334 2.914,335 1.898,336 7,337 2.496,338 3.689,339 3.507,340 5.286,341 3.375,342 2.372,343 2.9,344 1.886,345 6.714,346 2.372,347 3.658,348 3.494,349 5.087,350 3.245,351 2.235,352 2.857,353 1.886,354 5.928,355 2.249,356 3.553,357 3.474,358 5.001,359 3.217,360 2.232,361 2.734,362 1.2,363 5.759,364 2.218,365 3.519,366 3.243,367 4.883,368 3.134,369 2.196,370 2.673,371 0.634,372 5.642,373 2.125,374 3.46,375 2.817,376 4.688,377 3.112,378 2.087,379 2.641,380 0.404,381 5.21,382 2.069,383 3.382,384 2.815,385 4.67,386 3.068,387 2.06,388 2.613,389 0.346,390 5.166,391 2.021,392 3.163,393 2.733,394 4.656,395 3.007,396 2.03,397 2.174,398 0.325,399 5.08,400 1.968,401 34.033,402 0.466,403 2.063,404 0.028,405 75.5,406 1.034,407 29,408 0.397,409 46.5,410 0.637,411 114.715,412 1.571,413 85.367,414 0.61,415 98.857,416 1.354,417 14.237,418 0.195,419 20.459,420 0.28,421 0.184,423 0.335,425 0.794,426 1.378,427 0.768,428 1.039,429 0.655,430 1.012,431 0.533,432 1.324,433 0.925,434 1.24,435 0.497,436 1.165,437 1.019,438 1.002,439 1.111,440 1.071,441 1.038,442 1.074,443 1.263,444 1.071,445 0.984,446 0.979,447 1.251,448 0.926,449 0.931,450 1.099,451 0.891,452 0.999,453 0.918,454 0.966,455 1.081,456 0.968,457 1.035,458 0.993,459 1.085,460 0.972,461 1.302,462 1.066,463 1.199,464 1.107,465 1.317,466 0.986,467 0.917,468 1.092,469 1.088,470 1.149,471 0.926,472 1.069,473 17,474 1.341,475 7.778,476 4.618,477 5.063,478 2.872,479 2.447,480 2.431,481 1.74,482 1.383,483 113705,484 356654,485 1.934,486 47.9,487 7,488 26,491 16,492 4,493 14,495 1.943,496 1.773,497 4.23,498 10.558,500 242.447,501 1.732,502 3.676,503 5.141,504 6.081,505 6.47,506 6.561,507 3.636,508 5.861,509 6.162,510 4.448,511 11690.4,512 11.139,513 306946,516 998.1,517 1.532,518 6.094,519 0.224,520 0.007,521 0.076,522 0.042,523 0.041,524 0.02,525 0.016,526 0.014,527 0.009,528 0.007,529 0.458,530 0.17,531 0.5,532 1.657,533 482.348,534 -0.122,535 -0.012,536 0.079,537 0.112,538 -0.068,539 0.062,540 0.161,541 -0.107,542 -0.009,543 -0.125,544 0.102,545 -0.104,546 -0.042,547 0.073,548 -0.109,549 -0.042,550 -0.107,551 -0.079,552 -0.165,553 -0.056,554 0.023,555 0.015,556 -0.145,557 0.052,558 0.172,559 -0.043,560 0.096,561 0.001,562 0.199,563 0.013,564 -0.041,565 0.089,566 0.004,567 0.05,568 -0.058,569 0.021,570 -0.18,571 -0.01,572 -0.056,573 0.013,574 -0.154,575 0.018,576 0.117,577 -0.016,578 -0.008,579 -0.05,580 0.125,581 -0.057,582 2.99,583 7.577,584 0.507,585 127.245,586 1.014,587 1.142,588 -2.515,589 6.324,590 0.635,591 4.344,592 4.635,593 4.796,594 4.997,595 5.182,596 5.215,597 5.338,598 5.485,599 5.541,600 5.587,601 11.915,602 0.605,603 1054.41,604 4.344,605 5.878,606 6.686,607 7.54,608 8.372,609 9.229,610 10.074,611 10.933,612 11.786,613 12.648,614 9.3,615 2,620 10,621 1,624 9,627 3,628 12,631 1,634 140,635 23,636 2,637 76,638 143,639 47,640 12,641 3,642 9,644 4,645 4,647 1,649 2,652 9,654 16,655 23,656 24,657 1,658 11,660 10,661 1,662 11,665 67,666 24,667 16,668 26,669 2,670 13,672 1,673 11,676 1,679 1,680 2,683 2,684 7,685 1,686 2,692 4,693 1,694 2,695 2,698 73,699 4,701 1,702 14,703 7,705 2,706 8,707 1,711 7.9,713 1,714 10,717 41.167,718 23.85,719 16.333,720 8.049,721 1.15,722 1.126,723 0.916,724 25.798,725 10.271,726 4.543,727 4.97,728 5.236,729 5.553,730 5.945,731 5.839,732 5.987,733 6.29,734 6.394,735 6.42,736 0.857,737 109,738 27.932,739 12.481,740 8.174,741 50.358,742 40.792,743 2.674,744 195.167,748 600.326,749 249.544,750 277.574,752 294.133,754 60.363,755 189.181,756 894.459,757 277.574,758 17.65,759 291.716,760 85.286,761 341.179,762 23.157,763 1.899,764 660.69,766 600.326,767 466.755,768 294.133,769 60.363,770 435.531,771 458.928,773 326.152,774 140.603,776 60.363,777 600.326,778 571.706,779 249.544,781 600.326,782 146.608,783 106.061,784 126.075,785 442.507,786 600.326,787 571.706,788 249.544,789 0.575,790 0.31,791 0.16,792 0.093,793 35,794 23,795 0.126,796 18,798 1,799 6.584,800 897.411,802 37,803 439.857,804 2,806 60.618,807 31.068,808 21.444,810 571.706,811 14.802,814 1.227,815 300.347,816 1421.58,817 93,819 136.017,820 3.892,821 -8.018,822 141.934,823 159.832,824 0.243,825 0.516,826 0.721,827 0.853,828 0.908,829 0.92,830 5.796,831 2.52,832 6.668,833 7.923,834 5.323,835 5.659,836 4.224,837 7.422,838 5.282,839 6.953,840 2.372,841 8.201,842 7,843 4.934,844 5.427,845 3.724,846 8.231,847 4.906,848 8.224,849 2.235,850 9.83,851 6.714,852 6.868,853 7.547,854 5.274,855 11.293,856 6.787,857 9.515,858 2.232,859 11.517,860 5.928,861 7.245,862 8.031,863 5.369,864 12.919,865 7.175,866 10.834,867 2.196,868 13.241,869 5.759,870 8.674,871 9.69,872 6.472,873 15.512,874 8.556,875 12.169,876 2.087,877 14.991,878 5.642,879 9.408,880 10.479,881 6.831,882 17.501,883 9.287,884 13.517,885 2.06,886 16.762,887 5.21,888 10.634,889 11.963,890 7.735,891 19.924,892 10.474,893 3.158,894 2.03,895 18.548,896 5.166,897 11.547,898 12.905,899 8.233,900 22.089,901 11.372,902 2.983,903 10.878,904 20.347,905 5.08,906 12.689,907 14.311,908 9.033,909 24.452,910 12.479,911 2.903,912 9.369,913 22.156,914 3.626,915 13.694,916 15.341,917 9.607,918 26.708,919 13.461,920 2.819,921 9.104,922 23.974,923 3.476,924 14.804,925 16.704,926 10.352,927 29.055,928 14.538,929 2.766,930 8.813,931 25.8,932 3.435,933 15.857,934 17.792,935 10.97,936 31.359,937 15.562,938 2.656,939 8.609,940 27.631,941 3.271,942 16.958,943 19.128,944 11.683,945 33.708,946 16.63,947 2.536,948 8.25,949 29.469,950 3.198,951 18.037,952 20.26,953 12.326,954 36.04,955 17.677,956 112427,957 199365,958 48.142,959 88.927,960 113.071,961 121.596,962 115.545,963 111.185,964 111.19,965 131.565,966 46.003,967 305.437,968 108.951,969 5.278,970 5.998,971 6.534,972 5.22,973 5.158,974 6.626,975 3.536,976 18.265,977 5.045,978 52.967,979 1.488,980 1.6,981 1.52,982 1.463,983 1.463,984 1.731,985 0.605,986 4.019,987 1.434,988 4.025,989 4.068,990 4.171,991 3.912,992 7.454,993 3.91,994 3.924,995 3.966,996 3.929,997 3.848,998 7.436,999 3.842,1000 3.911,1001 3.941,1002 3.849,1003 3.778,1004 7.433,1005 3.784,1006 3.843,1007 3.889,1008 3.837,1009 3.683,1010 7.43,1011 3.691,1012 3.794,1013 3.851,1014 3.763,1015 3.629,1016 7.429,1017 3.626,1018 3.741,1019 3.789,1020 3.703,1021 3.601,1022 7.427,1023 3.575,1024 3.724,1025 3.766,1026 3.664,1027 3.558,1028 7.425,1029 3.57,1030 3.638,1031 3.711,1032 3.605,1033 3.497,1034 7.423,1035 3.47,1036 0.056,1037 0.053,1038 0.089,1039 0.054,1040 0.042,1041 4.278,1042 0.048,1043 3.998,1044 0.027,1045 6.732,1046 0.143,1047 4.124,1048 0.04,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.045,1054 1.932,1055 1.903,1056 2.06,1057 2.047,1058 1.317,1059 2.048,1060 1.914,1061 1.888,1062 2.035,1063 2.01,1064 1.291,1065 2.018,1066 1.801,1067 1.752,1068 2.011,1069 1.991,1070 1.254,1071 1.988,1072 1.772,1073 1.721,1074 1.965,1075 1.978,1076 1.218,1077 1.974,1078 1.717,1079 1.672,1080 1.873,1081 1.92,1082 1.214,1083 1.917,1084 1.661,1085 1.622,1086 1.856,1087 1.864,1088 1.158,1089 1.854,1090 1.625,1091 1.578,1092 1.815,1093 1.845,1094 1.095,1095 1.832,1096 1.596,1097 1.542,1098 1.777,1099 1.827,1100 1.061,1101 1.809,1102 5.03,1104 6.33,1105 2.398,1106 7.782,1107 4.595,1108 9.309,1109 6.605,1110 10.882,1111 3.575,1114 21.636,1115 9.908,1116 -0.398,1117 18.437,1119 2.264,1120 -9.421,1121 1.246,1123 84.739,1124 242.447,1125 514.609,1126 719.79,1127 851.306,1128 905.835,1129 918.59,1130 517.909,1131 9.122,1132 394.82,1133 445.42,1134 37,1135 13.2,1136 4.585,1137 4.17,1138 193.53,1139 538,1140 589,1141 0.172,1142 536.817,1143 982.25,1144 1301.59,1145 161123,1147 53.614,1148 0.734,1149 0.581,1150 54.321,1151 42.397,1152 34.695,1153 0.457,1154 0.346,1155 23.577,1156 32.261,1157 22.951,1158 18.957,1159 35.82,1160 26.266,1161 31.709,1162 0.311,1163 0.202,1164 32.914,1165 20.593,1166 23.134,1167 0.193,1168 0.116,1169 24.302,1170 13.936,1171 18.089,1172 0.123,1173 0.069,1174 19.363,1175 10.076,1176 14.757,1177 0.083,1178 0.039,1179 16.085,1180 6.958,1181 0.272,1182 229.573,1183 0.144,1184 56.741,1185 0.469,1186 356,1187 1210.09,1188 440.917,1189 1185.2,1190 1519.06,1191 1090,1192 400,1193 996.809,1194 479.954,1195 1021.87,1196 1463.36,1197 959,1198 10.398} {0 CHEMBL35226,1 1.35,2 10.96,3 4.44,4 19.714,5 104.4,6 6.288,7 0.393,8 4.065,9 4.202,10 3.505,11 3.589,12 4.937,13 3.535,14 4.68,15 4.887,16 3.843,17 4.016,18 5.48,19 3.928,20 4.982,21 5.238,22 3.929,23 4.175,24 5.704,25 4.052,26 5.025,27 5.294,28 3.842,29 4.121,30 5.768,31 3.987,32 4.926,33 5.189,34 3.715,35 4.051,36 5.659,37 3.907,38 4.852,39 5.121,40 3.553,41 4.002,42 5.531,43 3.829,44 4.817,45 5.104,46 3.469,47 3.947,48 5.436,49 3.758,50 4.744,51 5.029,52 3.398,53 3.869,54 5.361,55 3.679,56 0.063,57 0.788,58 13.374,59 5.279,60 7.44,61 7.662,62 0.247,63 1.315,64 25.063,65 8.852,66 18.894,67 13.255,68 0.253,69 1.636,70 33.56,71 11.714,72 22.556,73 17.702,74 0.438,75 1.602,76 35.542,77 11.63,78 32.467,79 17.469,80 0.38,81 1.443,82 32.055,83 10.997,84 28.668,85 16.232,86 0.249,87 1.368,88 29.242,89 10.677,90 22.723,91 15.827,92 0.238,93 1.301,94 27.975,95 10.595,96 19.333,97 15.623,98 0.185,99 1.219,100 25.953,101 9.675,102 16.892,103 14.475,104 4,105 38,106 0.226,107 0.524,108 0.736,109 0.827,110 0.851,111 0.851,112 3.267,113 1.056,114 -4.81,115 -4.72,116 -4.43,117 38.9,118 1,119 5,120 1,123 5,126 4,127 2,128 1,130 1,131 1,139 9,140 1,141 8,145 3,147 7,151 8,155 2,157 4,160 6,162 2,164 2,166 7,168 1,169 4,173 1,175 10,178 1,182 1,184 9,186 1,187 2,191 2,193 9,197 2,203 5,207 4,209 1,213 3,216 933,217 17.577,218 17.577,219 17.577,220 17.577,221 17.577,222 16.289,223 21.716,224 10.679,225 17.919,226 13.835,227 13.835,228 13.835,229 13.835,230 13.835,231 11.811,232 27.515,233 5.01,234 14.403,235 4.405,236 2.63,237 1.361,238 0.82,239 0.681,240 0.681,241 3.974,243 1,244 1,245 606,246 2.739,250 228.127,252 175.325,253 1.568,254 13.855,255 1,256 1,257 1,258 1,259 1,260 1,261 1,262 1,263 1,264 52.5,265 274,266 4.641,267 3.39,268 6.83,269 4.2,270 3.228,271 4.564,272 0.86,273 11.349,274 3.138,275 3.912,276 2.894,277 5.981,278 3.622,279 2.664,280 3.435,281 0.8,282 8.37,283 2.559,284 3.659,285 2.729,286 5.498,287 3.483,288 2.51,289 2.9,290 0.4,291 7.39,292 2.446,293 3.52,294 2.489,295 5.378,296 3.186,297 2.254,298 2.647,300 6.74,301 2.093,302 3.195,303 2.268,304 5.119,305 3.056,306 2.116,307 2.206,309 6.314,310 1.977,311 2.928,312 1.669,313 4.145,314 2.5,315 1.512,316 2.129,318 3.563,319 1.493,320 2.701,321 1.551,322 3.864,323 2.42,324 1.438,325 1.745,327 3.174,328 1.409,329 2.338,330 1.466,331 3.603,332 2.145,333 1.192,334 1.313,336 2.787,337 1.132,338 2.178,339 1.193,340 3.541,341 2.034,342 1.074,343 1.163,345 2.449,346 1.025,347 2.097,348 1.084,349 3.414,350 1.984,351 1,352 1.086,354 2.275,355 0.983,356 2,357 1.077,358 3.272,359 1.975,360 1,361 1,363 1.989,364 0.972,365 1.743,366 0.891,367 3.049,368 1.51,369 0.595,370 0.662,372 1.339,373 0.539,374 1.178,375 0.096,376 2.677,377 0.905,378 -0.05,379 -0.055,381 -0.103,382 -0.047,383 0.918,384 -0.113,385 2.524,386 0.635,387 -0.316,388 -0.37,390 -0.685,391 -0.298,392 0.826,393 -0.296,394 2.191,395 0.544,396 -0.423,397 -0.521,399 -1.093,400 -0.408,401 12.033,402 0.481,403 0.41,404 0.016,405 27.25,406 1.09,407 11,408 0.44,409 16.25,410 0.65,411 24.854,412 0.994,413 28.167,414 0.522,415 16.327,416 0.653,417 4.66,418 0.186,419 7.688,420 0.308,421 0.042,423 0.283,425 0.93,426 1.435,427 0.951,428 1.223,429 0.853,430 1.107,431 1.208,432 1.168,433 1.042,434 1.054,435 0.926,436 1.032,437 1.07,438 1.121,439 0.936,440 1.026,441 0.862,442 0.974,443 1.566,444 0.926,445 1.033,446 0.921,447 1.352,448 0.93,449 1.624,450 0.931,451 1.083,452 0.944,453 1.522,454 0.97,455 1.165,456 1.014,457 1.113,458 1.063,459 1.324,460 1.082,461 0.82,462 0.941,463 0.988,464 1.007,465 0.977,466 1.017,467 0.78,468 1.087,469 1,470 1.082,471 0.804,472 1.067,473 3.5,474 0.095,475 2.444,476 1.188,477 1.302,478 0.569,479 0.401,480 0.236,481 0.135,482 0.119,483 7560,484 13159,485 2.179,486 53.7,487 5,488 14,491 1,493 9,495 1.679,496 2.113,497 3.376,498 -0.396,499 1,500 72.889,501 1.35,502 3.125,503 4.394,504 4.935,505 5.074,506 5.074,507 2.869,508 4.484,509 4.612,510 3.533,511 1059.86,512 7.969,513 12782.5,514 1,515 1,516 310.764,517 1.078,518 4.606,519 0.125,520 0.007,521 0.064,522 0.03,523 0.037,524 0.018,525 0.015,526 0.01,527 0.006,528 0.007,529 0.319,530 0.33,531 1,532 0.743,533 120.823,534 0.035,535 -0.164,536 0.084,537 -0.051,538 0.089,539 0.01,540 0.015,541 -0.019,542 -0.006,543 -0.005,544 0.117,545 -0.006,546 0.011,547 -0.088,548 0.066,549 -0.03,550 0.13,551 0.018,552 -0.006,553 0.062,554 0.002,555 0.024,556 0.039,557 0.016,558 -0.085,559 0.046,560 -0.055,561 0.027,562 -0.116,563 -0.007,564 -0.124,565 -0.027,566 -0.128,567 -0.068,568 -0.203,569 -0.094,571 0.01,572 -0.029,573 -0.015,574 -0.081,575 -0.025,576 -0.014,577 -0.129,578 -0.044,579 -0.089,580 -0.026,581 -0.074,582 0.808,583 2.778,584 0.8,585 21.558,586 0.984,587 1.132,588 3.578,589 12.8,590 0.636,591 3.367,592 3.664,593 3.97,594 4.263,595 4.554,596 4.605,597 4.745,598 4.86,599 4.977,600 4.963,601 6.22,602 0.586,603 339.53,604 3.367,605 4.89,606 5.746,607 6.621,608 7.498,609 8.384,610 9.269,611 10.16,612 11.051,613 11.945,614 5.6,617 1,618 1,622 1,623 2,624 4,625 1,627 3,628 11,630 1,632 1,634 54,635 11,636 1,637 28,638 57,639 21,640 9,641 2,642 4,644 4,645 7,649 1,652 4,653 1,654 5,655 9,656 12,657 1,663 1,665 29,666 4,667 1,668 4,670 3,672 0.5,673 1,675 1,680 4,682 2,688 1,692 2,695 1,698 25,702 10,703 1,704 1,706 1,707 1,711 1.9,716 1,717 11.833,718 9.733,719 5.611,720 3.838,721 2.385,722 1.314,723 0.989,724 5.305,725 9.982,726 3.541,727 4.086,728 4.687,729 5.294,730 5.901,731 6.223,732 6.607,733 6.962,734 7.288,735 7.185,736 1,737 40,738 9.322,739 3.926,740 7.327,741 18.891,742 16.143,743 1.827,744 45.667,745 0.001,746 1,747 1,748 329.591,749 87.892,750 37.921,752 11,755 87.892,756 340.591,757 37.921,758 8.825,759 25.688,760 37.905,761 34.796,762 24.784,763 4.815,764 329.591,766 329.591,767 125.813,768 11,770 223.651,771 116.94,773 39.782,774 51.235,775 34.796,777 329.591,778 48.92,779 87.892,781 329.591,782 41.162,783 49.855,784 18.011,785 27.785,786 329.591,787 48.92,788 87.892,789 0.565,790 0.337,791 0.195,792 0.113,793 19,794 7,795 0.088,796 5,797 2,798 1.2,799 3.808,800 209.713,801 0.2,802 20,803 112.096,806 16.96,807 7.819,808 3.715,809 2.251,810 48.92,811 8.387,812 4.845,814 3.37,815 18.011,816 466.403,817 33.5,822 53.12,823 61.102,824 0.235,825 0.543,826 0.763,827 0.858,828 0.882,829 0.882,830 4.777,831 1.192,832 5.7,833 3.174,834 4.344,835 4.771,836 1.324,837 6.503,838 4.266,839 5.93,840 1.074,841 7.242,842 2.787,843 3.761,844 4.543,845 0.325,846 7.391,847 3.651,848 7.219,849 1,850 8.89,851 2.449,852 5.911,853 6.955,854 0.958,855 10.531,856 5.762,857 8.55,858 1,859 10.605,860 2.275,861 6.217,862 7.671,863 0.268,864 12.311,865 6.042,866 9.924,867 0.595,868 12.364,869 1.989,870 7.775,871 9.543,872 0.736,873 14.963,874 7.568,875 11.328,876 -0.05,877 14.155,878 1.339,879 8.517,880 10.697,881 0.188,882 17.115,883 8.288,884 12.757,885 -0.316,886 15.969,887 -0.103,888 9.826,889 12.357,890 0.57,891 19.616,892 9.568,893 3.228,894 -0.423,895 17.801,896 -0.685,897 10.786,898 13.712,899 0.125,900 21.926,901 10.506,902 2.664,903 11.349,904 19.647,905 -1.093,906 11.994,907 15.286,908 0.439,909 24.378,910 11.687,911 2.51,912 8.37,913 21.504,914 4.564,915 13.061,916 16.731,917 0.082,918 26.756,919 12.73,920 2.254,921 7.39,922 23.371,923 3.435,924 14.233,925 18.27,926 0.334,927 29.192,928 13.876,929 2.116,930 6.74,931 25.246,932 2.9,933 15.352,934 19.755,935 0.054,936 31.598,937 14.969,938 1.512,939 6.314,940 27.128,941 2.647,942 16.514,943 21.281,944 0.252,945 34.029,946 16.105,947 1.438,948 3.563,949 29.016,950 2.206,951 17.657,952 22.784,953 0.035,954 36.447,955 17.222,956 7134,957 9574,958 19.474,959 34.37,960 41.107,961 41.629,962 42.247,963 41.174,964 41.165,965 49.7,966 4.12,967 115.479,968 39.534,969 5.641,970 5.39,971 6.6,972 5.275,973 5.228,974 7.564,975 1.72,976 18.882,977 5.138,978 6.919,979 1.468,980 1.487,981 1.509,982 1.471,983 1.47,984 1.775,985 0.147,986 4.124,987 1.412,988 4.106,989 4.135,990 4.069,991 4.025,992 5.023,993 4.032,994 3.886,995 3.95,996 3.761,997 3.742,998 4.576,999 3.737,1000 3.688,1001 3.743,1002 3.576,1003 3.58,1004 4.354,1005 3.572,1006 3.572,1007 3.646,1008 3.398,1009 3.416,1010 4.306,1011 3.398,1012 3.354,1013 3.408,1014 3.23,1015 3.158,1016 4.075,1017 3.166,1018 3.161,1019 3.242,1020 2.99,1021 2.974,1022 3.95,1023 2.969,1024 3.111,1025 3.206,1026 2.886,1027 2.941,1028 3.706,1029 2.91,1030 3.021,1031 3.105,1032 2.866,1033 2.86,1034 3.579,1035 2.859,1036 0.166,1037 0.121,1038 0.244,1039 0.15,1040 0.115,1041 4.641,1042 0.163,1043 3.39,1044 0.031,1045 6.83,1046 0.405,1047 4.2,1048 0.112,1049 3.228,1050 4.564,1051 0.86,1052 11.349,1053 3.138,1054 2.056,1055 2.033,1056 2.135,1057 2.156,1058 1.456,1059 2.151,1060 1.861,1061 1.803,1062 2.071,1063 2.039,1064 1.361,1065 2.054,1066 1.693,1067 1.643,1068 1.898,1069 1.84,1070 1.152,1071 1.862,1072 1.589,1073 1.516,1074 1.884,1075 1.783,1076 1.103,1077 1.82,1078 1.298,1079 1.246,1080 1.537,1081 1.545,1082 0.825,1083 1.543,1084 1.156,1085 1.079,1086 1.513,1087 1.376,1088 0.772,1089 1.429,1090 1.153,1091 1.064,1092 1.414,1093 1.368,1094 0.635,1095 1.389,1096 1.003,1097 0.935,1098 1.292,1099 1.25,1100 0.467,1101 1.272,1102 4.043,1104 5.342,1106 6.864,1108 8.491,1110 10.177,1111 2.262,1116 11.457,1117 3.577,1118 6.278,1120 0.661,1121 2.58,1123 31.627,1124 72.889,1125 168.725,1126 237.254,1127 266.499,1128 274.009,1129 274.009,1130 32.684,1131 7.598,1132 37.39,1133 37.39,1134 24,1135 12.472,1136 3.585,1137 2.7,1138 36.031,1139 91,1140 117,1141 0.191,1142 192.378,1143 329.21,1144 461.163,1145 21489,1147 17.062,1148 0.682,1149 0.61,1150 17.062,1151 15.26,1152 12.348,1153 0.441,1154 0.352,1155 9.755,1156 11.99,1157 9.539,1158 7.905,1159 12.348,1160 9.855,1161 10.569,1162 0.278,1163 0.195,1164 10.569,1165 7.414,1166 9.213,1167 0.177,1168 0.107,1169 9.213,1170 5.563,1171 7.96,1172 0.114,1173 0.059,1174 7.96,1175 4.15,1176 6.902,1177 0.073,1178 0.034,1179 6.902,1180 3.15,1181 0.299,1182 76.469,1183 0.227,1184 24.328,1185 0.52,1186 132,1187 289.359,1188 141.51,1189 280.353,1190 400.11,1191 268,1192 156,1193 305.074,1194 166.814,1195 308.283,1196 459.38,1197 293,1198 5.495} {0 CHEMBL373742,1 1.778,2 20.2,3 -3.791,4 14.373,5 272.723,6 7.746,7 0.154,8 5.021,9 5.158,10 4.629,11 4.476,12 6.219,13 4.456,14 5.561,15 5.736,16 4.946,17 4.868,18 6.777,19 4.813,20 5.93,21 6.142,22 5.087,23 5.056,24 7.131,25 4.985,26 6.029,27 6.243,28 5.206,29 5.113,30 7.233,31 5.063,32 6.094,33 6.296,34 5.376,35 5.211,36 7.524,37 5.165,38 6.224,39 6.436,40 5.45,41 5.358,42 7.492,43 5.29,44 6.35,45 6.56,46 5.55,47 5.463,48 7.595,49 5.398,50 6.409,51 6.609,52 5.664,53 5.545,54 7.807,55 5.479,56 0.457,57 2.139,58 32.793,59 11.983,60 78.533,61 15.574,62 1.166,63 3.215,64 58.147,65 20.616,66 171.319,67 28.462,68 2.443,69 3.954,70 95.159,71 26.731,72 358.385,73 37.232,74 2.543,75 4.203,76 108.721,77 27.491,78 415.592,79 39.039,80 3.386,81 4.613,82 112.913,83 30.628,84 615.973,85 43.302,86 3.296,87 5.305,88 128.676,89 36.909,90 518.458,91 50.507,92 3.642,93 5.878,94 156.235,95 41.463,96 605.468,97 55.74,98 4.456,99 6.389,100 159.791,101 44.447,102 778.839,103 60.715,104 374,105 105,106 0.243,107 0.504,108 0.688,109 0.821,110 0.887,111 0.906,112 4.332,113 1.009,114 3.09,115 2.79,116 2.28,117 32.9,119 9,123 5,124 8,126 9,127 2,128 1,134 11,135 1,136 6,137 6,138 6,139 15,140 1,141 5,142 5,143 12,144 1,145 9,146 2,147 14,148 2,149 1,150 1,151 8,152 1,153 10,154 7,155 13,156 2,157 9,158 1,160 12,162 1,163 1,164 12,165 1,166 1,167 2,168 10,169 9,170 2,171 11,172 2,173 17,174 2,175 4,176 3,177 4,178 16,179 3,180 13,181 7,182 13,183 3,184 7,185 2,186 2,187 17,188 1,189 2,190 5,191 11,192 4,193 9,194 4,196 11,197 12,198 7,199 15,200 5,201 17,202 3,203 16,204 6,206 6,207 14,208 8,209 18,210 6,211 13,212 2,213 15,214 3,216 16813,217 48.672,218 48.672,219 48.672,220 48.672,221 48.672,222 45.117,223 54.329,224 29.145,225 49.288,226 38.428,227 38.428,228 38.428,229 38.428,230 38.428,231 32.769,232 48.084,233 13.92,234 39.329,235 5.351,236 3.435,237 2.086,238 1.112,239 0.625,240 0.486,241 5.012,245 3111,246 6.633,249 226.791,250 491.903,253 2.949,254 171.805,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 169.5,265 1515,266 4.278,267 4.002,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.045,275 4.151,276 3.885,277 6.242,278 3.968,279 2.983,280 3.476,281 2.005,282 9.36,283 2.929,284 4.086,285 3.848,286 6.174,287 3.897,288 2.911,289 3.435,290 1.989,291 9.122,292 2.862,293 4.024,294 3.814,295 6.096,296 3.816,297 2.828,298 3.271,299 1.977,300 8.825,301 2.784,302 3.972,303 3.746,304 6.034,305 3.768,306 2.779,307 3.217,308 1.954,309 8.648,310 2.741,311 3.941,312 3.693,313 5.928,314 3.646,315 2.652,316 3.152,317 1.934,318 8.248,319 2.629,320 3.869,321 3.655,322 5.841,323 3.622,324 2.632,325 3.085,326 1.919,327 7.908,328 2.602,329 3.79,330 3.577,331 5.777,332 3.515,333 2.518,334 2.971,335 1.902,336 7.711,337 2.504,338 3.726,339 3.538,340 5.367,341 3.473,342 2.481,343 2.902,344 1.896,345 6.95,346 2.454,347 3.658,348 3.509,349 5.284,350 3.344,351 2.34,352 2.885,353 1.886,354 6.683,355 2.343,356 3.651,357 3.499,358 5.086,359 3.218,360 2.235,361 2.832,362 1.886,363 5.755,364 2.224,365 3.526,366 3.474,367 4.883,368 3.205,369 2.197,370 2.689,371 1.2,372 5.649,373 2.218,374 3.519,375 3.246,376 4.685,377 3.134,378 2.175,379 2.673,380 0.634,381 5.21,382 2.119,383 3.459,384 2.818,385 4.663,386 3.105,387 2.076,388 2.649,389 0.408,390 5.167,391 2.021,392 3.382,393 2.815,394 4.656,395 3.008,396 2.034,397 2.613,398 0.352,399 5.155,400 1.968,401 34.667,402 0.462,403 2.152,404 0.029,405 78.75,406 1.05,407 30.5,408 0.407,409 48.25,410 0.643,411 115.233,412 1.536,413 87.733,414 0.627,415 108.347,416 1.445,417 15.319,418 0.204,419 20.287,420 0.27,421 0.185,423 0.343,425 0.826,426 1.357,427 0.761,428 1.001,429 0.687,430 0.969,431 0.54,432 1.355,433 0.922,434 1.27,435 0.508,436 1.184,437 1.03,438 0.986,439 1.101,440 1.058,441 1.047,442 1.067,443 1.289,444 1.09,445 1.062,446 1.031,447 1.262,448 0.965,449 0.892,450 1.105,451 0.918,452 1.038,453 0.895,454 0.974,455 0.966,456 0.988,457 1.01,458 1.025,459 0.967,460 0.994,461 1.231,462 1.052,463 1.171,464 1.093,465 1.223,466 0.969,467 0.929,468 1.093,469 1.079,470 1.144,471 0.951,472 1.057,473 17.5,474 1.485,475 8.667,476 4.618,477 5.143,478 3.094,479 2.529,480 2.587,481 1.802,482 1.59,483 120143,484 399039,485 1.928,486 46.4,488 27,491 20,492 4,493 14,495 1.949,496 1.765,497 4.218,498 14.161,500 248.939,501 1.778,502 3.695,503 5.043,504 6.017,505 6.504,506 6.644,507 3.622,508 5.855,509 6.2,510 4.443,511 12328.3,512 11.222,513 327888,516 998.1,517 1.541,518 6.131,519 0.224,520 0.007,521 0.083,522 0.041,523 0.041,524 0.021,525 0.016,526 0.015,527 0.009,528 0.008,529 0.465,530 0.17,531 0.38,532 1.686,533 497.924,534 -0.152,535 0.02,536 0.066,537 0.143,538 -0.087,539 0.085,540 0.151,541 -0.121,542 -0.022,543 -0.141,544 0.101,545 -0.123,546 -0.056,547 0.088,548 -0.103,549 -0.025,550 -0.112,551 -0.072,552 -0.208,553 -0.062,554 -0.029,555 -0.003,556 -0.177,557 0.019,558 0.158,559 -0.051,560 0.089,561 -0.002,562 0.169,563 0.019,564 0.013,565 0.078,566 0.016,567 0.031,568 -0.008,569 0.009,570 -0.158,571 -0.005,572 -0.041,573 0.024,574 -0.126,575 0.037,576 0.096,577 -0.016,578 -0.006,579 -0.041,580 0.095,581 -0.047,582 3.129,583 7.6,584 0.493,585 131.745,586 1.019,587 1.144,588 -4.321,589 18.674,590 0.635,591 4.369,592 4.663,593 4.828,594 5.011,595 5.204,596 5.252,597 5.371,598 5.525,599 5.587,600 5.659,601 11.933,602 0.61,603 1084.4,604 4.369,605 5.905,606 6.715,607 7.568,608 8.402,609 9.258,610 10.104,611 10.963,612 11.817,613 12.678,614 10.7,615 3,620 11,621 1,624 9,627 3,628 12,631 1,634 140,635 24,636 2,637 78,638 143,639 46,640 12,641 3,642 9,644 4,645 4,647 1,652 9,654 17,655 24,656 22,658 12,660 11,661 1,662 12,665 65,666 27,667 20,668 29,669 2,670 15,672 1,673 12,676 1,679 1,680 2,683 3,684 7,685 1,686 3,692 4,693 1,694 2,698 75,699 6,701 1,702 14,703 7,705 2,706 8,707 1,711 8.6,713 1,714 11,717 42.5,718 22.933,719 16.778,720 7.701,721 1.143,722 1.125,723 0.92,724 26.249,725 10.309,726 4.575,727 5.004,728 5.268,729 5.565,730 5.958,731 5.877,732 6.022,733 6.32,734 6.433,735 6.494,736 0.857,737 113,738 28.778,739 13.046,740 8.271,741 51.097,742 41.351,743 2.771,744 207.833,748 529.7,749 236.598,750 343.368,752 319.278,754 60.363,755 176.235,756 848.977,757 343.368,759 357.51,760 85.286,761 371.029,762 23.157,763 1.899,764 590.063,766 529.7,767 519.603,768 319.278,769 60.363,770 364.904,771 484.073,773 374.296,774 145.308,776 60.363,777 529.7,778 662.646,779 236.598,781 529.7,782 151.312,783 88.411,784 126.075,785 533.446,786 529.7,787 662.646,788 236.598,789 0.577,790 0.313,791 0.156,792 0.091,793 36,794 24,795 0.133,796 19,798 1,799 6.651,800 936.249,802 37,803 457.161,804 2,806 62.204,807 31.648,808 21.67,810 662.646,811 14.257,814 1,815 366.142,816 1428.94,817 96,819 148.267,820 3.876,821 -10.069,822 142.697,823 160.207,824 0.249,825 0.518,826 0.707,827 0.844,828 0.912,829 0.932,830 5.829,831 2.518,832 6.701,833 7.908,834 5.352,835 5.694,836 4.312,837 7.458,838 5.311,839 6.99,840 2.481,841 8.238,842 7.711,843 4.977,844 5.479,845 3.814,846 8.278,847 4.949,848 8.264,849 2.34,850 9.872,851 6.95,852 6.903,853 7.586,854 5.365,855 11.332,856 6.823,857 9.558,858 2.235,859 11.563,860 6.683,861 7.294,862 8.085,863 5.46,864 12.961,865 7.223,866 10.879,867 2.197,868 13.29,869 5.755,870 8.716,871 9.729,872 6.564,873 15.548,874 8.598,875 12.216,876 2.175,877 15.043,878 5.649,879 9.457,880 10.529,881 6.922,882 17.534,883 9.337,884 13.565,885 2.076,886 16.815,887 5.21,888 10.679,889 12.001,890 7.826,891 19.953,892 10.519,893 3.158,894 2.034,895 18.602,896 5.167,897 11.594,898 12.949,899 8.322,900 22.113,901 11.42,902 2.983,903 10.878,904 20.401,905 5.155,906 12.733,907 14.345,908 9.123,909 24.473,910 12.525,911 2.911,912 9.36,913 22.209,914 3.626,915 13.738,916 15.378,917 9.696,918 26.724,919 13.506,920 2.828,921 9.122,922 24.026,923 3.476,924 14.845,925 16.734,926 10.44,927 29.068,928 14.581,929 2.779,930 8.825,931 25.849,932 3.435,933 15.896,934 17.824,935 11.057,936 31.369,937 15.603,938 2.652,939 8.648,940 27.679,941 3.271,942 16.995,943 19.155,944 11.77,945 33.716,946 16.669,947 2.632,948 8.248,949 29.514,950 3.217,951 18.072,952 20.287,953 12.413,954 36.047,955 17.714,956 118989,957 217053,958 49.241,959 88.87,960 116.121,961 125.223,962 119.071,963 114.174,964 114.305,965 135.749,966 50.115,967 315.113,968 112.081,969 5.278,970 6.002,971 6.534,972 5.221,973 5.158,974 6.626,975 3.537,976 18.265,977 5.045,978 55.334,979 1.489,980 1.605,981 1.527,982 1.464,983 1.465,984 1.74,985 0.642,986 4.04,987 1.437,988 4.025,989 4.068,990 4.175,991 3.911,992 7.456,993 3.91,994 3.924,995 3.966,996 3.928,997 3.848,998 7.436,999 3.842,1000 3.911,1001 3.941,1002 3.85,1003 3.777,1004 7.435,1005 3.784,1006 3.838,1007 3.882,1008 3.837,1009 3.664,1010 7.433,1011 3.678,1012 3.793,1013 3.85,1014 3.763,1015 3.626,1016 7.43,1017 3.625,1018 3.746,1019 3.787,1020 3.706,1021 3.603,1022 7.429,1023 3.582,1024 3.727,1025 3.773,1026 3.668,1027 3.553,1028 7.427,1029 3.564,1030 3.638,1031 3.711,1032 3.612,1033 3.475,1034 7.425,1035 3.463,1036 0.055,1037 0.051,1038 0.086,1039 0.053,1040 0.04,1041 4.278,1042 0.046,1043 4.002,1044 0.026,1045 6.732,1046 0.139,1047 4.124,1048 0.039,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.045,1054 1.931,1055 1.903,1056 2.059,1057 2.046,1058 1.291,1059 2.047,1060 1.914,1061 1.888,1062 2.035,1063 2.009,1064 1.265,1065 2.017,1066 1.779,1067 1.735,1068 1.965,1069 1.99,1070 1.235,1071 1.977,1072 1.767,1073 1.717,1074 1.937,1075 1.975,1076 1.214,1077 1.965,1078 1.7,1079 1.657,1080 1.858,1081 1.909,1082 1.21,1083 1.898,1084 1.668,1085 1.628,1086 1.855,1087 1.877,1088 1.152,1089 1.864,1090 1.617,1091 1.569,1092 1.807,1093 1.841,1094 1.075,1095 1.826,1096 1.588,1097 1.535,1098 1.769,1099 1.825,1100 1.036,1101 1.804,1102 5.056,1104 6.358,1105 2.398,1106 7.813,1107 4.595,1108 9.342,1109 6.605,1110 10.915,1114 33.35,1115 9.915,1116 -2.212,1117 17.727,1119 1.994,1120 -11.456,1121 1.184,1123 85.443,1124 248.939,1125 517.235,1126 706.001,1127 842.409,1128 910.59,1129 930.1,1130 563.911,1131 9.167,1132 463.93,1133 514.53,1134 37,1135 13.229,1136 4.644,1137 4.248,1138 202.356,1139 555,1140 613,1141 0.175,1142 541.883,1143 993.1,1144 1313.95,1145 168660,1147 55.191,1148 0.736,1149 0.566,1150 55.898,1151 42.46,1152 35.606,1153 0.456,1154 0.336,1155 23.503,1156 33.054,1157 23.002,1158 18.904,1159 36.731,1160 26.226,1161 32.547,1162 0.31,1163 0.192,1164 33.719,1165 20.153,1166 24.128,1167 0.195,1168 0.114,1169 25.364,1170 14.094,1171 18.261,1172 0.123,1173 0.068,1174 19.685,1175 10.077,1176 14.958,1177 0.083,1178 0.039,1179 16.355,1180 6.985,1181 0.276,1182 236.192,1183 0.143,1184 57.781,1185 0.479,1186 366,1187 1292.45,1188 455.185,1189 1261.98,1190 1609.86,1191 1158,1192 412,1193 1052.92,1194 497.478,1195 1076.61,1196 1540.86,1197 1010,1198 9.538} {0 CHEMBL373968,1 1.739,2 19.309,3 -1.244,4 1.549,5 250.782,6 7.63,7 0.169,8 4.933,9 5.064,10 4.541,11 4.415,12 6.092,13 4.382,14 5.489,15 5.666,16 4.855,17 4.808,18 6.648,19 4.744,20 5.857,21 6.068,22 4.997,23 4.997,24 7.023,25 4.915,26 5.961,27 6.179,28 5.133,29 5.042,30 7.169,31 4.989,32 6.011,33 6.209,34 5.301,35 5.135,36 7.465,37 5.088,38 6.145,39 6.358,40 5.345,41 5.284,42 7.359,43 5.207,44 6.255,45 6.462,46 5.442,47 5.385,48 7.472,49 5.308,50 6.315,51 6.518,52 5.532,53 5.466,54 7.678,55 5.379,56 0.324,57 1.944,58 30.854,59 11.883,60 54.451,61 15.089,62 0.963,63 2.992,64 55.444,65 19.835,66 138.146,67 27.168,68 2.056,69 3.75,70 89.47,71 26.598,72 288.093,73 36.056,74 2.198,75 3.978,76 101.707,77 26.711,78 356.294,79 37.357,80 3.045,81 4.322,82 103.346,83 28.556,84 563.714,85 39.955,86 2.769,87 4.974,88 121.196,89 35.264,90 420.141,91 47.259,92 2.981,93 5.471,94 144.294,95 39.59,96 492.868,97 51.762,98 3.789,99 5.891,100 148.666,101 43.03,102 672.784,103 57.656,104 287,105 96,106 0.241,107 0.505,108 0.709,109 0.836,110 0.888,111 0.9,112 4.236,113 1.038,114 1.58,115 1.35,116 1,117 34.1,118 2,119 7,120 1,123 5,124 7,126 9,127 2,128 1,134 10,136 3,137 3,138 3,139 16,140 1,141 4,142 2,143 9,145 8,147 17,148 1,150 1,151 5,153 9,154 7,155 10,156 2,157 9,160 10,161 1,162 2,163 2,164 11,165 2,166 2,168 10,169 10,170 3,171 10,172 1,173 17,174 1,175 4,177 2,178 16,179 2,180 10,181 5,182 13,183 1,184 7,185 1,187 17,188 1,189 2,190 3,191 11,192 3,193 15,194 2,195 1,196 10,197 12,198 4,199 11,200 2,201 14,203 19,204 1,206 4,207 16,208 2,209 11,210 5,211 14,212 1,213 24,214 3,216 11792,217 44.352,218 44.352,219 44.352,220 44.352,221 44.352,222 41.369,223 44.396,224 26.47,225 44.865,226 34.938,227 34.938,228 34.938,229 34.938,230 34.938,231 30.06,232 38.327,233 12.555,234 35.659,235 5.272,236 3.373,237 1.896,238 0.983,239 0.607,240 0.523,241 4.916,245 2710,246 6.042,249 200.085,250 436.279,253 2.68,254 146.853,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 152.5,265 1313,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.044,275 4.147,276 3.862,277 6.243,278 3.967,279 2.983,280 3.476,281 2.003,282 9.369,283 2.928,284 4.082,285 3.817,286 6.165,287 3.89,288 2.903,289 3.434,290 1.987,291 9.103,292 2.856,293 4.022,294 3.806,295 6.087,296 3.802,297 2.814,298 3.271,299 1.973,300 8.788,301 2.771,302 3.968,303 3.728,304 6.014,305 3.752,306 2.762,307 3.197,308 1.946,309 8.586,310 2.726,311 3.891,312 3.692,313 5.916,314 3.65,315 2.656,316 3.141,317 1.929,318 8.24,319 2.636,320 3.871,321 3.629,322 5.836,323 3.521,324 2.536,325 3.06,326 1.909,327 7.915,328 2.504,329 3.736,330 3.574,331 5.373,332 3.516,333 2.519,334 2.913,335 1.898,336 7,337 2.496,338 3.689,339 3.507,340 5.286,341 3.375,342 2.372,343 2.857,344 1.886,345 6.714,346 2.372,347 3.553,348 3.494,349 5.087,350 3.245,351 2.232,352 2.734,353 1.886,354 5.928,355 2.249,356 3.519,357 3.474,358 5.001,359 3.212,360 2.199,361 2.672,362 0.634,363 5.758,364 2.214,365 3.46,366 3.243,367 4.883,368 3.112,369 2.087,370 2.641,371 0.404,372 5.642,373 2.125,374 3.382,375 2.817,376 4.685,377 3.068,378 2.06,379 2.613,380 0.346,381 5.18,382 2.069,383 3.163,384 2.733,385 4.667,386 3.007,387 2.03,388 2.174,389 0.325,390 5.08,391 1.968,392 3.097,393 2.555,394 4.639,395 2.889,396 1.91,397 2.107,398 0.23,399 4.944,400 1.85,401 31.733,402 0.467,403 1.918,404 0.028,405 70.75,406 1.04,407 27.5,408 0.404,409 43.25,410 0.636,411 103.655,412 1.524,413 79.267,414 0.614,415 91.044,416 1.339,417 13.304,418 0.196,419 19.036,420 0.28,421 0.185,423 0.343,425 0.773,426 1.353,427 0.75,428 1.021,429 0.635,430 0.999,431 0.549,432 1.354,433 0.927,434 1.229,435 0.518,436 1.155,437 0.993,438 1,439 1.097,440 1.072,441 1.026,442 1.071,443 1.263,444 1.06,445 0.983,446 0.965,447 1.247,448 0.914,449 0.919,450 1.118,451 0.89,452 0.998,453 0.904,454 0.967,455 1.062,456 0.972,457 1.042,458 0.993,459 1.057,460 0.975,461 1.299,462 1.065,463 1.222,464 1.103,465 1.294,466 0.987,467 0.91,468 1.094,469 1.108,470 1.149,471 0.922,472 1.075,473 16,474 1.213,475 7.556,476 4.493,477 4.903,478 2.761,479 2.325,480 2.243,481 1.561,482 1.279,483 92766,484 295878,485 1.937,486 47.3,487 7,488 26,491 14,492 4,493 10,495 1.928,496 1.774,497 4.141,498 8.958,500 224.351,501 1.739,502 3.638,503 5.115,504 6.028,505 6.405,506 6.488,507 3.531,508 5.606,509 6.06,510 4.345,511 9897.34,512 10.938,513 244482,516 904.448,517 1.539,518 5.991,519 0.225,520 0.007,521 0.079,522 0.043,523 0.042,524 0.02,525 0.016,526 0.014,527 0.009,528 0.007,529 0.464,530 0.17,531 0.5,532 1.467,533 439.942,534 -0.115,535 -0.004,536 0.085,537 0.117,538 -0.062,539 0.063,540 0.137,541 -0.143,542 -0.018,543 -0.124,544 0.08,545 -0.103,546 -0.022,547 0.073,548 -0.098,549 -0.047,550 -0.099,551 -0.079,552 -0.157,553 -0.043,554 0.026,555 0.017,556 -0.135,557 0.054,558 0.185,559 -0.057,560 0.095,561 -0.005,562 0.215,563 0.004,564 -0.046,565 0.09,566 -0.004,567 0.043,568 -0.061,569 0.013,570 -0.192,571 -0.008,572 -0.073,573 0.01,574 -0.155,575 0.01,576 0.106,577 -0.024,578 -0.023,579 -0.049,580 0.113,581 -0.065,582 2.976,583 7.385,584 0.544,585 107.855,586 1.015,587 1.14,588 -2.815,589 7.924,590 0.639,591 4.277,592 4.575,593 4.754,594 4.956,595 5.136,596 5.159,597 5.273,598 5.412,599 5.468,600 5.513,601 11.116,602 0.61,603 984.3,604 4.277,605 5.814,606 6.629,607 7.487,608 8.325,609 9.185,610 10.034,611 10.896,612 11.752,613 12.615,614 8.5,615 1,620 10,624 9,627 3,628 12,631 1,634 129,635 22,636 2,637 71,638 132,639 44,640 12,641 3,642 9,644 4,645 4,649 3,652 9,654 14,655 22,656 22,657 1,658 10,660 10,662 10,665 61,666 22,667 14,668 24,669 2,670 11,672 1,673 11,676 1,679 1,680 2,683 2,684 7,685 1,686 1,692 4,693 1,694 2,695 2,698 68,699 3,701 1,702 12,703 7,705 2,706 8,707 1,711 8.5,713 1,714 10,717 38.333,718 22.067,719 15.25,720 7.399,721 1.14,722 1.127,723 0.915,724 23.216,725 10.107,726 4.477,727 4.905,728 5.193,729 5.517,730 5.913,731 5.792,732 5.928,733 6.227,734 6.337,735 6.365,736 0.786,737 104,738 26.058,739 11.734,740 8.199,741 46.873,742 38.174,743 2.699,744 183.5,748 553.242,749 242.576,750 227.891,752 294.133,754 60.363,755 182.213,756 847.374,757 227.891,758 17.65,759 253.749,760 85.286,761 341.179,762 6.371,764 613.605,766 553.242,767 410.104,768 294.133,769 60.363,770 435.531,771 411.844,773 271.4,774 138.704,776 60.363,777 553.242,778 522.024,779 242.576,781 553.242,782 139.639,783 106.061,784 126.075,785 392.824,786 553.242,787 522.024,788 242.576,789 0.576,790 0.318,791 0.166,792 0.096,793 34,794 22,795 0.114,796 15,798 1,799 6.26,800 821.957,802 37,803 403.947,804 2,806 56.02,807 28.181,808 18.699,810 522.024,811 14.811,814 1.239,815 267.45,816 1317.84,817 87,819 134.274,821 -7.87,822 130.963,823 147.005,824 0.248,825 0.519,826 0.73,827 0.86,828 0.913,829 0.925,830 5.733,831 2.519,832 6.616,833 7.915,834 5.263,835 5.595,836 4.187,837 7.382,838 5.227,839 6.891,840 2.372,841 8.157,842 7,843 4.89,844 5.373,845 3.703,846 8.212,847 4.873,848 8.164,849 2.232,850 9.794,851 6.714,852 6.821,853 7.487,854 5.259,855 11.274,856 6.748,857 9.459,858 2.199,859 11.488,860 5.928,861 7.216,862 7.984,863 5.361,864 12.91,865 7.156,866 10.78,867 2.087,868 13.218,869 5.758,870 8.641,871 9.639,872 6.467,873 15.502,874 8.53,875 12.118,876 2.06,877 14.973,878 5.642,879 9.388,880 10.439,881 6.828,882 17.495,883 9.275,884 13.469,885 2.03,886 16.747,887 5.18,888 10.612,889 11.924,890 7.733,891 19.918,892 10.457,893 3.158,894 1.91,895 18.537,896 5.08,897 11.533,898 12.872,899 8.231,900 22.084,901 11.363,902 2.983,903 10.878,904 20.338,905 4.944,906 12.674,907 14.281,908 9.032,909 24.448,910 12.468,911 2.903,912 9.369,913 22.149,914 3.626,915 13.684,916 15.315,917 9.607,918 26.703,919 13.453,920 2.814,921 9.103,922 23.968,923 3.476,924 14.794,925 16.681,926 10.351,927 29.051,928 14.529,929 2.762,930 8.788,931 25.794,932 3.434,933 15.849,934 17.773,935 10.969,936 31.355,937 15.554,938 2.656,939 8.586,940 27.627,941 3.271,942 16.95,943 19.112,944 11.683,945 33.704,946 16.622,947 2.536,948 8.24,949 29.465,950 3.197,951 18.03,952 20.246,953 12.326,954 36.037,955 17.669,956 91508,957 163689,958 44.964,959 82.393,960 105.803,961 114.421,962 108.785,963 103.964,964 104.013,965 123.014,966 43.345,967 288.645,968 102.239,969 5.278,970 5.998,971 6.534,972 5.219,973 5.158,974 6.626,975 3.536,976 18.265,977 5.044,978 48.89,979 1.49,980 1.612,981 1.532,982 1.464,983 1.465,984 1.733,985 0.61,986 4.065,987 1.44,988 4.02,989 4.062,990 4.171,991 3.909,992 7.454,993 3.908,994 3.923,995 3.965,996 3.925,997 3.848,998 7.436,999 3.842,1000 3.911,1001 3.941,1002 3.848,1003 3.773,1004 7.433,1005 3.78,1006 3.843,1007 3.889,1008 3.836,1009 3.682,1010 7.43,1011 3.69,1012 3.765,1013 3.816,1014 3.763,1015 3.617,1016 7.429,1017 3.588,1018 3.736,1019 3.784,1020 3.688,1021 3.561,1022 7.427,1023 3.57,1024 3.723,1025 3.766,1026 3.656,1027 3.53,1028 7.425,1029 3.551,1030 3.623,1031 3.67,1032 3.605,1033 3.496,1034 7.423,1035 3.469,1036 0.06,1037 0.056,1038 0.095,1039 0.058,1040 0.044,1041 4.278,1042 0.051,1043 3.998,1044 0.029,1045 6.732,1046 0.153,1047 4.124,1048 0.043,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.044,1054 1.932,1055 1.903,1056 2.06,1057 2.047,1058 1.317,1059 2.048,1060 1.914,1061 1.888,1062 2.035,1063 2.01,1064 1.254,1065 2.018,1066 1.801,1067 1.752,1068 2.011,1069 1.988,1070 1.221,1071 1.987,1072 1.734,1073 1.69,1074 1.888,1075 1.961,1076 1.218,1077 1.942,1078 1.697,1079 1.649,1080 1.872,1081 1.916,1082 1.159,1083 1.91,1084 1.661,1085 1.622,1086 1.832,1087 1.863,1088 1.095,1089 1.854,1090 1.608,1091 1.563,1092 1.815,1093 1.835,1094 1.077,1095 1.82,1096 1.585,1097 1.528,1098 1.768,1099 1.786,1100 1.043,1101 1.799,1102 4.963,1104 6.267,1105 2.398,1106 7.729,1107 4.595,1108 9.265,1109 6.605,1110 10.846,1111 3.577,1114 16.4,1115 9.879,1116 -1.038,1117 18.143,1119 2.269,1120 -9.415,1121 1.23,1123 78.642,1124 224.351,1125 469.366,1126 659.848,1127 777.654,1128 826.184,1129 836.939,1130 461.846,1131 8.966,1132 356.44,1133 407.04,1134 37,1135 13.165,1136 4.524,1137 4.087,1138 171.753,1139 484,1140 533,1141 0.176,1142 497.379,1143 910.99,1144 1205.36,1145 131170,1147 49.915,1148 0.734,1149 0.58,1150 50.622,1151 39.459,1152 32.34,1153 0.455,1154 0.346,1155 21.892,1156 30.017,1157 21.298,1158 17.572,1159 33.465,1160 24.557,1161 29.439,1162 0.307,1163 0.202,1164 30.644,1165 19.379,1166 22.052,1167 0.192,1168 0.115,1169 23.22,1170 13.226,1171 17.296,1172 0.123,1173 0.068,1174 18.571,1175 9.535,1176 14.027,1177 0.083,1178 0.039,1179 15.355,1180 6.564,1181 0.277,1182 214.76,1183 0.149,1184 53.616,1185 0.482,1186 334,1187 1147.14,1188 415.67,1189 1121.71,1190 1436.27,1191 1032,1192 378,1193 937.429,1194 455.983,1195 961.443,1196 1381.24,1197 903,1198 9.42} {0 CHEMBL375096,1 1.749,2 20.205,3 -2.566,4 6.584,5 269.75,6 7.593,7 0.158,8 5.009,9 5.147,10 4.605,11 4.472,12 6.176,13 4.443,14 5.556,15 5.737,16 4.91,17 4.861,18 6.729,19 4.797,20 5.919,21 6.14,22 5.039,23 5.044,24 7.068,25 4.963,26 6.006,27 6.223,28 5.17,29 5.096,30 7.192,31 5.043,32 6.083,33 6.29,34 5.345,35 5.197,36 7.496,37 5.146,38 6.21,39 6.428,40 5.406,41 5.344,42 7.422,43 5.267,44 6.324,45 6.535,46 5.508,47 5.446,48 7.533,49 5.373,50 6.389,51 6.594,52 5.612,53 5.527,54 7.751,55 5.448,56 0.38,57 2.113,58 33.38,59 12.192,60 65.053,61 16.005,62 1.064,63 3.19,64 59.282,65 20.791,66 150.983,67 28.928,68 2.21,69 3.908,70 95.621,71 27.083,72 311.573,73 37.947,74 2.23,75 4.136,76 105.245,77 27.277,78 357.816,79 39.051,80 3.193,81 4.562,82 111.342,83 30.308,84 583.39,85 43.379,86 2.97,87 5.232,88 128.856,89 36.936,90 452.894,91 50.707,92 3.201,93 5.768,94 153.326,95 41.306,96 514.769,97 55.495,98 4.121,99 6.256,100 159.011,101 44.678,102 719.101,103 61.182,104 306,105 101,106 0.239,107 0.503,108 0.695,109 0.829,110 0.892,111 0.907,112 4.306,113 1.031,114 2.11,115 1.85,116 1.45,117 33.1,119 10,123 6,124 7,126 9,127 2,128 1,134 10,135 1,136 5,137 5,138 5,139 15,140 1,141 5,142 4,143 11,144 1,145 10,146 2,147 14,148 2,149 1,150 1,151 7,153 9,154 6,155 13,156 1,157 9,158 1,160 12,162 1,163 1,164 12,165 1,166 2,167 2,168 10,169 10,170 2,171 10,172 2,173 17,174 2,175 5,176 2,177 3,178 16,179 2,180 11,181 6,182 13,183 2,184 9,185 1,186 1,187 19,188 1,189 2,190 4,191 9,192 3,193 12,194 2,196 11,197 12,198 5,199 12,200 5,201 15,202 3,203 17,204 3,206 5,207 13,208 6,209 15,210 5,211 14,212 1,213 20,214 2,216 15907,217 47.887,218 47.887,219 47.887,220 47.887,221 47.887,222 44.515,223 51.42,224 29.046,225 48.553,226 37.459,227 37.459,228 37.459,229 37.459,230 37.459,231 32.098,232 43.54,233 13.851,234 38.407,235 5.37,236 3.438,237 2.039,238 1.056,239 0.595,240 0.489,241 4.987,245 3033,246 6.442,249 221.675,250 481.058,253 2.975,254 157.824,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 164,265 1475,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.045,275 4.145,276 3.861,277 6.237,278 3.962,279 2.977,280 3.476,281 2.003,282 9.346,283 2.923,284 4.079,285 3.817,286 6.165,287 3.887,288 2.901,289 3.435,290 1.987,291 9.098,292 2.854,293 4.022,294 3.806,295 6.088,296 3.803,297 2.815,298 3.268,299 1.973,300 8.798,301 2.773,302 3.97,303 3.728,304 6.014,305 3.756,306 2.765,307 3.198,308 1.946,309 8.602,310 2.732,311 3.891,312 3.692,313 5.915,314 3.633,315 2.64,316 3.143,317 1.929,318 8.219,319 2.617,320 3.866,321 3.628,322 5.826,323 3.522,324 2.536,325 3.058,326 1.909,327 7.888,328 2.502,329 3.737,330 3.573,331 5.373,332 3.511,333 2.513,334 2.913,335 1.898,336 7,337 2.496,338 3.683,339 3.507,340 5.286,341 3.369,342 2.366,343 2.9,344 1.886,345 6.709,346 2.367,347 3.658,348 3.494,349 5.086,350 3.243,351 2.235,352 2.853,353 1.886,354 5.928,355 2.248,356 3.552,357 3.474,358 5.001,359 3.217,360 2.23,361 2.734,362 1.2,363 5.753,364 2.218,365 3.519,366 3.243,367 4.883,368 3.134,369 2.196,370 2.673,371 0.634,372 5.641,373 2.12,374 3.46,375 2.817,376 4.684,377 3.106,378 2.077,379 2.641,380 0.404,381 5.209,382 2.021,383 3.382,384 2.815,385 4.657,386 3.007,387 2.031,388 2.613,389 0.346,390 5.166,391 1.968,392 3.108,393 2.733,394 4.642,395 2.896,396 1.919,397 2.121,398 0.325,399 4.957,400 1.856,401 33.933,402 0.465,403 1.918,404 0.026,405 75.75,406 1.038,407 29,408 0.397,409 46.75,410 0.64,411 111.963,412 1.534,413 85.467,414 0.615,415 100.077,416 1.371,417 14.535,418 0.199,419 20.305,420 0.278,421 0.167,423 0.321,425 0.817,426 1.371,427 0.769,428 1.021,429 0.672,430 0.994,431 0.549,432 1.342,433 0.942,434 1.263,435 0.512,436 1.189,437 1.021,438 0.971,439 1.093,440 1.041,441 1.036,442 1.04,443 1.295,444 1.091,445 1.018,446 1.01,447 1.28,448 0.958,449 0.916,450 1.087,451 0.884,452 0.999,453 0.919,454 0.966,455 1.031,456 0.974,457 1.022,458 1.007,459 1.035,460 0.98,461 1.285,462 1.061,463 1.195,464 1.109,465 1.291,466 0.985,467 0.94,468 1.082,469 1.089,470 1.142,471 0.961,472 1.059,473 16,474 1.292,475 7.778,476 4.493,477 4.903,478 2.872,479 2.366,480 2.368,481 1.642,482 1.343,483 114001,484 363566,485 1.941,486 47.5,488 28,491 18,492 4,493 16,495 1.943,496 1.788,497 4.233,498 12.379,500 243.162,501 1.749,502 3.681,503 5.08,504 6.063,505 6.524,506 6.63,507 3.636,508 5.888,509 6.161,510 4.451,511 11696.3,512 11.139,513 307737,516 989.533,517 1.51,518 6.099,519 0.211,520 0.007,521 0.077,522 0.041,523 0.04,524 0.02,525 0.015,526 0.014,527 0.009,528 0.007,529 0.442,530 0.17,531 0.5,532 1.695,533 482.528,534 -0.138,535 0.003,536 0.074,537 0.128,538 -0.075,539 0.073,540 0.147,541 -0.115,542 -0.03,543 -0.141,544 0.092,545 -0.127,546 -0.045,547 0.093,548 -0.089,549 -0.013,550 -0.105,551 -0.044,552 -0.19,553 -0.062,554 -0.011,555 -0.005,556 -0.162,557 0.022,558 0.173,559 -0.038,560 0.101,561 0.007,562 0.191,563 0.019,564 -0.019,565 0.085,566 0.013,567 0.044,568 -0.04,569 0.02,570 -0.174,571 -0.008,572 -0.054,573 0.013,574 -0.145,575 0.021,576 0.108,577 -0.011,578 -0.006,579 -0.038,580 0.113,581 -0.047,582 3.013,583 7.562,584 0.507,585 128.301,586 1.015,587 1.143,588 -3.34,589 11.157,590 0.634,591 4.344,592 4.625,593 4.796,594 4.99,595 5.176,596 5.215,597 5.333,598 5.481,599 5.533,600 5.591,601 11.942,602 0.606,603 1055.4,604 4.344,605 5.872,606 6.681,607 7.531,608 8.364,609 9.219,610 10.064,611 10.922,612 11.776,613 12.637,614 10.1,615 3,620 10,621 1,624 9,627 3,628 12,631 1,634 139,635 23,636 2,637 76,638 142,639 46,640 12,641 3,642 9,644 4,645 4,647 1,649 1,652 9,654 17,655 23,656 23,658 11,660 10,661 1,662 11,665 66,666 25,667 18,668 27,669 2,670 14,672 1,673 11,676 1,679 1,680 2,683 2,684 7,685 1,686 3,692 4,693 1,694 2,698 73,699 5,701 1,702 16,703 7,705 2,706 7,707 1,711 7.9,713 1,714 10,717 40.833,718 22.85,719 16.5,720 7.882,721 1.15,722 1.126,723 0.921,724 26.297,725 10.271,726 4.543,727 4.963,728 5.236,729 5.549,730 5.94,731 5.839,732 5.987,733 6.286,734 6.387,735 6.422,736 0.857,737 109,738 27.929,739 12.488,740 8.196,741 50.211,742 40.602,743 2.696,744 196.833,748 565.013,749 236.534,750 310.471,752 294.133,754 60.363,755 176.17,756 859.146,757 310.471,759 329.253,760 85.286,761 341.179,762 23.157,763 1.899,764 625.376,766 565.013,767 486.642,768 294.133,769 60.363,770 376.675,771 482.47,773 346.039,774 140.603,776 60.363,777 565.013,778 604.604,779 236.534,781 565.013,782 151.248,783 88.411,784 126.075,785 475.404,786 565.013,787 604.604,788 236.534,789 0.57,790 0.311,791 0.16,792 0.093,793 34,794 22,795 0.134,796 19,798 1,799 6.606,800 894.815,802 37,803 441.857,804 2,806 60.58,807 31.688,808 21.42,810 604.604,811 14.711,814 1.196,815 333.245,816 1406.15,817 93,819 135.777,820 3.888,821 -8.181,822 141.152,823 158.915,824 0.246,825 0.517,826 0.714,827 0.852,828 0.916,829 0.931,830 5.79,831 2.513,832 6.655,833 7.888,834 5.313,835 5.652,836 4.224,837 7.407,838 5.27,839 6.942,840 2.366,841 8.185,842 7,843 4.89,844 5.4,845 3.724,846 8.212,847 4.861,848 8.21,849 2.235,850 9.814,851 6.709,852 6.853,853 7.54,854 5.274,855 11.279,856 6.77,857 9.501,858 2.23,859 11.5,860 5.928,861 7.216,862 8.018,863 5.369,864 12.909,865 7.143,866 10.82,867 2.196,868 13.226,869 5.753,870 8.659,871 9.684,872 6.472,873 15.501,874 8.537,875 12.156,876 2.077,877 14.978,878 5.641,879 9.387,880 10.472,881 6.831,882 17.493,883 9.264,884 13.505,885 2.031,886 16.75,887 5.209,888 10.619,889 11.959,890 7.735,891 19.915,892 10.456,893 3.158,894 1.919,895 18.537,896 5.166,897 11.53,898 12.901,899 8.233,900 22.081,901 11.353,902 2.977,903 10.878,904 20.337,905 4.957,906 12.675,907 14.308,908 9.033,909 24.444,910 12.463,911 2.901,912 9.346,913 22.148,914 3.626,915 13.679,916 15.337,917 9.607,918 26.7,919 13.444,920 2.815,921 9.098,922 23.966,923 3.476,924 14.791,925 16.701,926 10.352,927 29.048,928 14.522,929 2.765,930 8.798,931 25.792,932 3.435,933 15.843,934 17.79,935 10.97,936 31.352,937 15.545,938 2.64,939 8.602,940 27.624,941 3.268,942 16.945,943 19.126,944 11.683,945 33.701,946 16.614,947 2.536,948 8.219,949 29.462,950 3.198,951 18.023,952 20.258,953 12.326,954 36.034,955 17.66,956 112713,957 201505,958 48.43,959 88.171,960 112.01,961 120.326,962 115.059,963 110.429,964 110.444,965 130.816,966 46.003,967 301.523,968 108.122,969 5.278,970 5.998,971 6.593,972 5.22,973 5.158,974 6.626,975 3.536,976 18.265,977 5.045,978 51.477,979 1.474,980 1.583,981 1.514,982 1.453,983 1.453,984 1.721,985 0.605,986 3.967,987 1.423,988 4.024,989 4.067,990 4.171,991 3.911,992 7.454,993 3.909,994 3.924,995 3.966,996 3.928,997 3.848,998 7.436,999 3.842,1000 3.911,1001 3.94,1002 3.849,1003 3.777,1004 7.433,1005 3.784,1006 3.837,1007 3.883,1008 3.837,1009 3.663,1010 7.43,1011 3.676,1012 3.793,1013 3.85,1014 3.76,1015 3.624,1016 7.429,1017 3.625,1018 3.739,1019 3.783,1020 3.703,1021 3.597,1022 7.427,1023 3.572,1024 3.715,1025 3.761,1026 3.664,1027 3.552,1028 7.425,1029 3.557,1030 3.638,1031 3.711,1032 3.595,1033 3.476,1034 7.423,1035 3.451,1036 0.056,1037 0.053,1038 0.089,1039 0.054,1040 0.042,1041 4.278,1042 0.048,1043 3.998,1044 0.027,1045 6.732,1046 0.143,1047 4.124,1048 0.04,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.045,1054 1.931,1055 1.903,1056 2.059,1057 2.046,1058 1.292,1059 2.048,1060 1.914,1061 1.888,1062 2.035,1063 2.009,1064 1.291,1065 2.017,1066 1.781,1067 1.735,1068 1.967,1069 1.99,1070 1.252,1071 1.979,1072 1.769,1073 1.717,1074 1.965,1075 1.975,1076 1.217,1077 1.97,1078 1.704,1079 1.658,1080 1.866,1081 1.912,1082 1.214,1083 1.907,1084 1.661,1085 1.622,1086 1.856,1087 1.863,1088 1.157,1089 1.853,1090 1.619,1091 1.569,1092 1.814,1093 1.842,1094 1.094,1095 1.829,1096 1.59,1097 1.535,1098 1.773,1099 1.826,1100 1.06,1101 1.807,1102 5.03,1104 6.323,1105 2.398,1106 7.772,1107 4.595,1108 9.298,1109 6.605,1110 10.87,1114 27.42,1115 9.9,1116 -0.307,1117 18.284,1119 2.246,1120 -9.338,1121 1.237,1123 84.233,1124 243.162,1125 511.605,1126 706.177,1127 842.739,1128 906.778,1129 921.533,1130 518.385,1131 9.122,1132 420.84,1133 471.44,1134 37,1135 13.188,1136 4.585,1137 4.17,1138 193.512,1139 539,1140 589,1141 0.172,1142 534.019,1143 975.95,1144 1294.77,1145 161327,1147 53.45,1148 0.732,1149 0.573,1150 54.158,1151 41.812,1152 34.84,1153 0.458,1154 0.344,1155 23.409,1156 32.358,1157 22.907,1158 18.846,1159 35.965,1160 26.112,1161 31.222,1162 0.309,1163 0.197,1164 32.427,1165 19.894,1166 23.289,1167 0.194,1168 0.116,1169 24.456,1170 13.926,1171 18.023,1172 0.123,1173 0.068,1174 19.298,1175 9.963,1176 14.693,1177 0.083,1178 0.039,1179 16.021,1180 6.909,1181 0.271,1182 230.792,1183 0.144,1184 56.763,1185 0.467,1186 354,1187 1217.41,1188 439.611,1189 1191.33,1190 1525.86,1191 1096,1192 398,1193 999.231,1194 478.454,1195 1022.7,1196 1465.28,1197 961,1198 9.347} {0 CHEMBL375187,1 1.715,2 19.394,3 -0.247,4 0.061,5 262.783,6 7.532,7 0.16,8 4.988,9 5.119,10 4.586,11 4.48,12 6.115,13 4.443,14 5.558,15 5.734,16 4.902,17 4.888,18 6.683,19 4.816,20 5.94,21 6.162,22 5.039,23 5.077,24 7.057,25 4.983,26 6.024,27 6.247,28 5.159,29 5.107,30 7.194,31 5.042,32 6.07,33 6.277,34 5.33,35 5.187,36 7.479,37 5.132,38 6.188,39 6.404,40 5.39,41 5.331,42 7.382,43 5.255,44 6.307,45 6.514,46 5.491,47 5.435,48 7.516,49 5.362,50 6.367,51 6.567,52 5.583,53 5.525,54 7.711,55 5.441,56 0.298,57 2.054,58 32.828,59 12.772,60 52.48,61 16.321,62 0.93,63 3.22,64 59.333,65 21.727,66 136.899,67 29.776,68 2.068,69 4.065,70 97.544,71 29.503,72 292.067,73 40.431,74 2.141,75 4.255,76 107.97,77 29.179,78 344.799,79 40.995,80 3.045,81 4.573,82 110.626,83 30.784,84 569.781,85 43.476,86 2.69,87 5.246,88 126.327,89 36.788,90 407.462,91 49.738,92 2.987,93 5.785,94 151.184,95 41.325,96 486.44,97 54.332,98 3.85,99 6.248,100 155.917,101 45.432,102 694.554,103 60.798,104 215,105 101,106 0.235,107 0.489,108 0.688,109 0.835,110 0.889,111 0.9,112 4.278,113 1.049,114 1.1,115 0.89,116 0.59,117 34.6,119 12,120 1,123 5,124 7,126 9,127 2,128 1,134 10,136 3,137 3,138 3,139 20,140 1,141 4,142 2,143 9,145 8,147 22,148 1,150 1,151 5,153 9,154 7,155 10,156 2,157 14,160 10,161 1,162 2,163 2,164 11,165 2,166 3,168 10,169 10,170 3,171 10,172 1,173 19,174 1,175 4,177 2,178 18,179 2,180 10,181 5,182 16,183 1,184 7,185 1,187 20,188 1,189 2,190 3,191 12,192 3,193 15,194 2,195 1,196 10,197 13,198 4,199 11,200 2,201 16,203 23,204 1,206 4,207 18,208 2,209 11,210 5,211 17,212 1,213 28,214 3,216 12887,217 46.92,218 46.92,219 46.92,220 46.92,221 46.92,222 43.938,223 44.396,224 28.133,225 47.434,226 36.938,227 36.938,228 36.938,229 36.938,230 36.938,231 32.06,232 38.327,233 13.377,234 37.659,235 5.372,236 3.525,237 2.076,238 1.006,239 0.608,240 0.529,241 4.967,245 2878,246 5.831,249 207.531,250 653.836,253 2.653,254 150.6,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 158.5,265 1377,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.044,275 4.148,276 3.862,277 6.246,278 3.971,279 2.986,280 3.476,281 2.003,282 9.385,283 2.933,284 4.083,285 3.817,286 6.166,287 3.892,288 2.905,289 3.434,290 1.987,291 9.107,292 2.859,293 4.022,294 3.806,295 6.089,296 3.806,297 2.818,298 3.272,299 1.973,300 8.804,301 2.775,302 3.969,303 3.728,304 6.016,305 3.753,306 2.763,307 3.197,308 1.946,309 8.589,310 2.726,311 3.892,312 3.692,313 5.919,314 3.673,315 2.678,316 3.142,317 1.929,318 8.278,319 2.661,320 3.876,321 3.629,322 5.844,323 3.526,324 2.536,325 3.061,326 1.909,327 7.95,328 2.512,329 3.736,330 3.574,331 5.373,332 3.521,333 2.531,334 2.915,335 1.898,336 7,337 2.496,338 3.696,339 3.507,340 5.3,341 3.414,342 2.413,343 2.859,344 1.886,345 6.804,346 2.411,347 3.554,348 3.494,349 5.274,350 3.337,351 2.331,352 2.734,353 1.886,354 6.637,355 2.337,356 3.519,357 3.474,358 5.085,359 3.241,360 2.228,361 2.672,362 0.634,363 5.927,364 2.245,365 3.466,366 3.243,367 5.001,368 3.212,369 2.198,370 2.641,371 0.404,372 5.748,373 2.214,374 3.442,375 2.817,376 4.883,377 3.105,378 2.076,379 2.614,380 0.346,381 5.641,382 2.118,383 3.382,384 2.733,385 4.679,386 3.007,387 2.031,388 2.467,389 0.325,390 5.178,391 1.968,392 3.106,393 2.556,394 4.642,395 2.894,396 1.915,397 2.118,398 0.23,399 4.956,400 1.853,401 33.233,402 0.468,403 1.843,404 0.026,405 72.75,406 1.025,407 27.5,408 0.387,409 45.25,410 0.637,411 111.203,412 1.566,413 82.567,414 0.607,415 92.927,416 1.309,417 13.304,418 0.187,419 20.697,420 0.292,421 0.146,423 0.328,425 0.763,426 1.333,427 0.755,428 1.021,429 0.618,430 1.001,431 0.539,432 1.363,433 0.948,434 1.254,435 0.503,436 1.192,437 0.946,438 0.983,439 1.064,440 1.053,441 0.971,442 1.055,443 1.232,444 1.069,445 0.987,446 0.986,447 1.215,448 0.944,449 0.892,450 1.1,451 0.861,452 0.974,453 0.886,454 0.938,455 1.066,456 0.991,457 1.028,458 0.992,459 1.056,460 0.963,461 1.358,462 1.054,463 1.223,464 1.082,465 1.349,466 0.97,467 0.978,468 1.089,469 1.117,470 1.13,471 1.002,472 1.062,473 15.5,474 1.225,475 7.556,476 4.431,477 4.894,478 2.767,479 2.386,480 2.255,481 1.54,482 1.36,483 105396,484 318828,485 1.978,486 47.8,487 11,488 26,491 14,492 4,493 10,495 1.938,496 1.828,497 4.135,498 8.847,500 233.268,501 1.715,502 3.563,503 5.011,504 6.082,505 6.479,506 6.558,507 3.523,508 5.639,509 6.122,510 4.345,511 10798.3,512 11.07,513 273710,516 963.895,517 1.489,518 6.065,519 0.207,520 0.007,521 0.075,522 0.041,523 0.041,524 0.02,525 0.016,526 0.014,527 0.009,528 0.007,529 0.435,530 0.17,531 0.38,532 1.32,533 463.441,534 -0.107,535 0.011,536 0.086,537 0.12,538 -0.048,539 0.068,540 0.135,541 -0.152,542 -0.042,543 -0.146,544 0.082,545 -0.134,547 0.072,548 -0.07,549 -0.035,550 -0.072,551 -0.058,552 -0.138,553 -0.055,554 0.018,555 -0.003,556 -0.118,557 0.029,558 0.206,559 -0.056,560 0.128,561 0.013,562 0.223,563 0.035,564 -0.035,565 0.076,566 0.013,567 0.039,568 -0.054,569 0.021,570 -0.2,571 0.006,572 -0.071,573 0.016,574 -0.158,575 0.016,576 0.089,577 -0.016,578 -0.029,579 -0.037,580 0.098,581 -0.058,582 2.963,583 7.518,584 0.606,585 114.304,586 1.013,587 1.138,588 -2.329,589 5.423,590 0.639,591 4.331,592 4.625,593 4.82,594 5.024,595 5.215,596 5.236,597 5.361,598 5.513,599 5.587,600 5.656,601 11.227,602 0.608,603 1024.37,604 4.331,605 5.866,606 6.686,607 7.542,608 8.382,609 9.24,610 10.091,611 10.951,612 11.808,613 12.671,614 8.1,615 1,620 10,624 9,627 3,628 12,631 1,634 136,635 22,636 2,637 75,638 140,639 47,640 12,641 3,642 9,644 5,645 5,649 1,652 14,653 1,654 19,655 22,656 25,657 1,658 10,660 10,662 10,665 65,666 22,667 14,668 24,669 2,670 11,672 1,673 11,676 1,679 1,680 3,683 2,684 7,685 1,686 1,692 5,693 1,694 2,698 71,699 3,701 1,702 17,703 7,705 2,706 8,707 1,711 8.1,713 1,714 10,717 38.833,718 22.567,719 15.917,720 8.065,721 1.071,722 1.117,723 0.925,724 23.586,725 10.213,726 4.522,727 4.942,728 5.236,729 5.557,730 5.95,731 5.839,732 5.985,733 6.281,734 6.399,735 6.444,736 0.786,737 109,738 27.246,739 12.336,740 8.134,741 49.542,742 41.03,743 2.634,744 187,748 600.326,749 237.598,750 227.891,752 294.133,754 60.363,755 177.235,756 894.459,757 227.891,759 266.422,760 85.286,761 341.179,762 6.371,764 660.69,766 600.326,767 405.126,768 294.133,769 60.363,770 482.615,771 411.844,773 266.422,774 138.704,776 60.363,777 600.326,778 522.024,779 237.598,781 600.326,782 152.312,783 88.411,784 126.075,785 392.824,786 600.326,787 522.024,788 237.598,789 0.574,790 0.322,791 0.168,792 0.096,793 37,794 22,795 0.107,796 15,798 1,799 6.488,800 885.675,802 43,803 422.632,804 2,806 57.331,807 29.209,808 18.768,810 522.024,811 14.956,814 1.273,815 267.45,816 1359.95,817 91,819 135.654,821 -7.687,822 137.73,823 154.835,824 0.242,825 0.503,826 0.707,827 0.858,828 0.914,829 0.925,830 5.778,831 2.531,832 6.663,833 7.95,834 5.313,835 5.631,836 4.187,837 7.425,838 5.279,839 6.925,840 2.413,841 8.198,842 7,843 4.89,844 5.373,845 3.703,846 8.236,847 4.873,848 8.194,849 2.331,850 9.831,851 6.804,852 6.866,853 7.511,854 5.259,855 11.306,856 6.796,857 9.484,858 2.228,859 11.521,860 6.637,861 7.231,862 7.991,863 5.361,864 12.934,865 7.171,866 10.803,867 2.198,868 13.248,869 5.927,870 8.68,871 9.654,872 6.467,873 15.525,874 8.574,875 12.139,876 2.076,877 15.001,878 5.748,879 9.409,880 10.446,881 6.828,882 17.513,883 9.298,884 13.489,885 2.031,886 16.773,887 5.641,888 10.645,889 11.933,890 7.733,891 19.934,892 10.496,893 3.158,894 1.915,895 18.561,896 5.178,897 11.556,898 12.878,899 8.231,900 22.097,901 11.389,902 2.986,903 10.878,904 20.36,905 4.956,906 12.702,907 14.286,908 9.032,909 24.459,910 12.502,911 2.905,912 9.385,913 22.169,914 3.626,915 13.705,916 15.319,917 9.607,918 26.713,919 13.479,920 2.818,921 9.107,922 23.986,923 3.476,924 14.817,925 16.685,926 10.351,927 29.059,928 14.559,929 2.763,930 8.804,931 25.811,932 3.434,933 15.868,934 17.776,935 10.969,936 31.362,937 15.58,938 2.678,939 8.589,940 27.642,941 3.272,942 16.97,943 19.114,944 11.683,945 33.71,946 16.649,947 2.536,948 8.278,949 29.478,950 3.197,951 18.048,952 20.248,953 12.326,954 36.043,955 17.693,956 102560,957 178717,958 48.43,959 86.915,960 111.368,961 119.832,962 114.063,963 109.657,964 109.701,965 128.698,966 43.345,967 303.094,968 107.928,969 5.278,970 5.998,971 6.534,972 5.22,973 5.158,974 6.626,975 3.536,976 18.265,977 5.044,978 46.891,979 1.485,980 1.598,981 1.521,982 1.462,983 1.463,984 1.716,985 0.578,986 4.041,987 1.439,988 4.032,989 4.076,990 4.171,991 3.918,992 7.454,993 3.916,994 3.923,995 3.965,996 3.932,997 3.848,998 7.436,999 3.842,1000 3.913,1001 3.949,1002 3.849,1003 3.805,1004 7.433,1005 3.798,1006 3.892,1007 3.934,1008 3.836,1009 3.757,1010 7.43,1011 3.758,1012 3.797,1013 3.844,1014 3.788,1015 3.632,1016 7.429,1017 3.63,1018 3.752,1019 3.806,1020 3.705,1021 3.577,1022 7.427,1023 3.574,1024 3.735,1025 3.774,1026 3.668,1027 3.544,1028 7.425,1029 3.558,1030 3.675,1031 3.719,1032 3.656,1033 3.521,1034 7.423,1035 3.515,1036 0.057,1037 0.053,1038 0.09,1039 0.055,1040 0.042,1041 4.278,1042 0.048,1043 3.998,1044 0.027,1045 6.732,1046 0.145,1047 4.124,1048 0.041,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.044,1054 1.933,1055 1.903,1056 2.123,1057 2.063,1058 1.528,1059 2.08,1060 1.915,1061 1.888,1062 2.058,1063 2.033,1064 1.258,1065 2.042,1066 1.906,1067 1.856,1068 2.035,1069 2.002,1070 1.221,1071 2.016,1072 1.749,1073 1.708,1074 1.891,1075 1.975,1076 1.221,1077 1.952,1078 1.71,1079 1.662,1080 1.882,1081 1.947,1082 1.165,1083 1.926,1084 1.664,1085 1.623,1086 1.834,1087 1.873,1088 1.122,1089 1.858,1090 1.64,1091 1.598,1092 1.817,1093 1.854,1094 1.084,1095 1.842,1096 1.586,1097 1.534,1098 1.794,1099 1.805,1100 1.069,1101 1.8,1102 5.017,1104 6.319,1105 2.398,1106 7.784,1107 4.595,1108 9.323,1109 6.605,1110 10.905,1114 16.509,1115 9.928,1116 3.464,1117 18.49,1119 2.293,1120 -9.124,1121 1.245,1123 82.696,1124 233.268,1125 484.512,1126 681.559,1127 827.101,1128 881.14,1129 891.895,1130 425.193,1131 9.142,1132 356.44,1133 407.04,1134 43,1135 13.221,1136 4.524,1137 4.087,1138 157.812,1139 515,1140 566,1141 0.153,1142 518.763,1143 950.53,1144 1257.54,1145 160464,1147 51.45,1148 0.725,1149 0.577,1150 52.158,1151 40.994,1152 34.001,1153 0.453,1154 0.35,1155 23.554,1156 31.679,1157 23.044,1158 18.928,1159 35.126,1160 26.219,1161 30.549,1162 0.302,1163 0.203,1164 31.754,1165 20.49,1166 23.639,1167 0.192,1168 0.12,1169 24.807,1170 14.813,1171 18.542,1172 0.123,1173 0.072,1174 19.816,1175 10.819,1176 15.12,1177 0.083,1178 0.042,1179 16.448,1180 7.686,1181 0.24,1182 224.731,1183 0.144,1184 55.286,1185 0.421,1186 352,1187 1165.14,1188 433.67,1189 1139.34,1190 1464.07,1191 1050,1192 400,1193 959.429,1194 477.983,1195 982.772,1196 1414.44,1197 925,1198 8} {0 CHEMBL375188,1 1.716,2 19.429,3 -0.602,4 0.363,5 260.291,6 7.499,7 0.164,8 4.974,9 5.107,10 4.566,11 4.457,12 6.115,13 4.419,14 5.535,15 5.715,16 4.876,17 4.851,18 6.673,19 4.78,20 5.903,21 6.121,22 5.014,23 5.039,24 7.04,25 4.949,26 6.003,27 6.226,28 5.152,29 5.084,30 7.172,31 5.026,32 6.055,33 6.257,34 5.332,35 5.179,36 7.482,37 5.13,38 6.192,39 6.406,40 5.382,41 5.33,42 7.408,43 5.252,44 6.304,45 6.511,46 5.475,47 5.436,48 7.504,49 5.357,50 6.372,51 6.577,52 5.572,53 5.522,54 7.706,55 5.432,56 0.299,57 2.021,58 32.762,59 12.55,60 52.195,61 16.16,62 0.941,63 3.117,64 58.808,65 20.964,66 137.661,67 28.986,68 2.024,69 3.902,70 94.266,71 27.964,72 287.132,73 38.486,74 2.09,75 4.141,76 106.285,77 27.983,78 339.614,79 39.729,80 3.017,81 4.518,82 108.714,83 29.921,84 555.725,85 42.315,86 2.811,87 5.198,88 127.325,89 36.853,90 431.666,91 49.868,92 2.96,93 5.73,94 151.053,95 41.624,96 492.461,97 55.013,98 3.769,99 6.232,100 157.156,101 45.65,102 668.314,103 61.837,104 297,105 98,106 0.236,107 0.496,108 0.7,109 0.828,110 0.888,111 0.901,112 4.264,113 1.05,114 1.26,115 1.04,116 0.73,117 34.1,118 2,119 9,120 1,123 5,124 7,126 9,127 2,128 1,134 10,136 3,137 3,138 3,139 17,140 1,141 4,142 2,143 9,145 10,147 17,148 2,150 1,151 6,153 9,154 6,155 13,156 1,157 9,158 1,160 12,162 1,163 1,164 12,165 1,166 2,168 10,169 12,170 2,171 9,172 2,173 17,174 2,175 5,177 2,178 18,179 2,180 10,181 6,182 13,183 2,184 9,185 1,187 19,188 1,189 2,190 2,191 11,192 1,193 16,194 2,196 10,197 13,198 4,199 11,200 2,201 16,203 19,204 2,206 4,207 16,208 3,209 12,210 5,211 16,212 2,213 24,214 4,215 1,216 13292,217 45.766,218 45.766,219 45.766,220 45.766,221 45.766,222 42.783,223 46.118,224 27.604,225 46.287,226 35.976,227 35.976,228 35.976,229 35.976,230 35.976,231 31.098,232 38.54,233 13.154,234 36.704,235 5.36,236 3.474,237 1.987,238 1.058,239 0.624,240 0.53,241 4.945,245 2802,246 6.205,249 208.517,250 453.824,253 2.727,254 149.42,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 156.5,265 1360,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.045,275 4.147,276 3.862,277 6.243,278 3.967,279 2.983,280 3.476,281 2.003,282 9.369,283 2.928,284 4.082,285 3.817,286 6.166,287 3.89,288 2.903,289 3.435,290 1.987,291 9.104,292 2.857,293 4.023,294 3.806,295 6.091,296 3.807,297 2.819,298 3.271,299 1.973,300 8.813,301 2.776,302 3.971,303 3.728,304 6.017,305 3.756,306 2.765,307 3.198,308 1.946,309 8.609,310 2.732,311 3.891,312 3.692,313 5.918,314 3.651,315 2.656,316 3.144,317 1.929,318 8.25,319 2.637,320 3.872,321 3.629,322 5.836,323 3.522,324 2.536,325 3.06,326 1.909,327 7.923,328 2.506,329 3.737,330 3.574,331 5.373,332 3.517,333 2.52,334 2.913,335 1.898,336 7,337 2.496,338 3.689,339 3.507,340 5.286,341 3.375,342 2.372,343 2.857,344 1.886,345 6.714,346 2.372,347 3.553,348 3.494,349 5.087,350 3.245,351 2.232,352 2.734,353 1.886,354 5.928,355 2.249,356 3.52,357 3.474,358 5.001,359 3.215,360 2.202,361 2.673,362 0.634,363 5.759,364 2.218,365 3.46,366 3.243,367 4.883,368 3.112,369 2.087,370 2.641,371 0.404,372 5.642,373 2.125,374 3.382,375 2.817,376 4.687,377 3.068,378 2.06,379 2.613,380 0.346,381 5.194,382 2.069,383 3.163,384 2.733,385 4.668,386 3.007,387 2.03,388 2.174,389 0.325,390 5.08,391 1.968,392 3.098,393 2.555,394 4.639,395 2.889,396 1.91,397 2.108,398 0.23,399 4.945,400 1.851,401 32.733,402 0.468,403 1.918,404 0.027,405 71.75,406 1.025,407 27.5,408 0.393,409 44.25,410 0.632,411 109.582,412 1.565,413 81.867,414 0.606,415 92.55,416 1.322,417 13.317,418 0.19,419 20.023,420 0.286,421 0.179,423 0.333,425 0.768,426 1.359,427 0.763,428 1.039,429 0.631,430 1.018,431 0.544,432 1.359,433 0.934,434 1.239,435 0.511,436 1.168,437 0.985,438 1.004,439 1.084,440 1.064,441 1.015,442 1.06,443 1.266,444 1.071,445 0.973,446 0.963,447 1.249,448 0.907,449 0.935,450 1.112,451 0.887,452 0.993,453 0.919,454 0.958,455 1.094,456 0.972,457 1.045,458 0.99,459 1.084,460 0.973,461 1.338,462 1.07,463 1.224,464 1.099,465 1.339,466 0.991,467 0.924,468 1.109,469 1.098,470 1.15,471 0.94,472 1.076,473 16,474 1.213,475 7.556,476 4.493,477 4.983,478 2.872,479 2.366,480 2.306,481 1.666,482 1.323,483 100380,484 310044,485 1.939,486 48.1,487 7,488 26,491 14,492 4,493 14,495 1.934,496 1.78,497 4.171,498 8.883,500 231.725,501 1.716,502 3.603,503 5.089,504 6.019,505 6.453,506 6.547,507 3.538,508 5.758,509 6.102,510 4.377,511 10571,512 11.021,513 267273,516 955.37,517 1.528,518 6.035,519 0.219,520 0.007,521 0.077,522 0.042,523 0.042,524 0.02,525 0.016,526 0.014,527 0.01,528 0.007,529 0.455,530 0.17,531 0.5,532 1.543,533 456.572,534 -0.108,535 -0.004,536 0.085,537 0.111,538 -0.057,539 0.06,540 0.141,541 -0.147,542 -0.019,543 -0.129,544 0.083,545 -0.108,546 -0.017,547 0.064,548 -0.082,549 -0.04,550 -0.092,551 -0.065,552 -0.159,553 -0.054,554 0.036,555 0.021,556 -0.14,557 0.064,558 0.183,559 -0.046,560 0.102,562 0.208,563 0.014,564 -0.042,565 0.096,566 -0.004,567 0.044,568 -0.052,569 0.012,570 -0.199,571 -0.01,572 -0.078,573 0.011,574 -0.162,575 0.005,576 0.103,577 -0.036,578 -0.017,579 -0.054,580 0.107,581 -0.065,582 2.973,583 7.496,584 0.529,585 114.184,586 1.013,587 1.14,588 -2.489,589 6.197,590 0.636,591 4.304,592 4.595,593 4.771,594 4.977,595 5.165,596 5.193,597 5.303,598 5.447,599 5.505,600 5.545,601 11.381,602 0.605,603 1012.36,604 4.304,605 5.838,606 6.65,607 7.506,608 8.343,609 9.202,610 10.051,611 10.912,612 11.768,613 12.631,614 8.1,615 1,620 10,624 9,627 3,628 12,631 1,634 135,635 22,636 2,637 73,638 138,639 46,640 12,641 3,642 9,644 4,645 4,649 3,652 9,654 16,655 22,656 24,657 1,658 10,660 10,662 10,665 65,666 22,667 14,668 24,669 2,670 11,672 1,673 11,676 1,679 1,680 2,683 2,684 7,685 1,686 1,692 4,693 1,694 2,695 2,698 70,699 3,701 1,702 14,703 7,705 2,706 8,707 1,711 8.1,713 1,714 10,717 39.333,718 23.067,719 15.75,720 7.899,721 1.119,722 1.124,723 0.914,724 24.606,725 10.15,726 4.5,727 4.92,728 5.204,729 5.529,730 5.929,731 5.816,732 5.946,733 6.245,734 6.357,735 6.38,736 0.786,737 106,738 26.829,739 12.026,740 8.164,741 48.506,742 39.507,743 2.664,744 186.5,748 600.326,749 247.645,750 227.891,752 294.133,754 60.363,755 187.282,756 894.459,757 227.891,758 17.65,759 258.818,760 85.286,761 341.179,762 6.371,764 660.69,766 600.326,767 415.173,768 294.133,769 60.363,770 435.531,771 458.928,773 276.469,774 138.704,776 60.363,777 600.326,778 522.024,779 247.645,781 600.326,782 144.708,783 106.061,784 126.075,785 392.824,786 600.326,787 522.024,788 247.645,789 0.573,790 0.314,791 0.164,792 0.097,793 34,794 22,795 0.123,796 17,798 1,799 6.381,800 853.218,802 37,803 419.05,804 2,806 58.003,807 29.695,808 19.87,810 522.024,811 14.837,814 1.245,815 267.45,816 1369.99,817 89,819 135.312,821 -7.647,822 136.73,823 153.835,824 0.243,825 0.509,826 0.719,827 0.851,828 0.912,829 0.925,830 5.753,831 2.52,832 6.632,833 7.923,834 5.283,835 5.609,836 4.187,837 7.393,838 5.248,839 6.905,840 2.372,841 8.168,842 7,843 4.89,844 5.373,845 3.703,846 8.212,847 4.873,848 8.175,849 2.232,850 9.802,851 6.714,852 6.834,853 7.494,854 5.259,855 11.28,856 6.762,857 9.466,858 2.202,859 11.493,860 5.928,861 7.216,862 7.984,863 5.361,864 12.912,865 7.156,866 10.786,867 2.087,868 13.222,869 5.759,870 8.649,871 9.642,872 6.467,873 15.507,874 8.54,875 12.123,876 2.06,877 14.976,878 5.642,879 9.389,880 10.439,881 6.828,882 17.499,883 9.277,884 13.473,885 2.03,886 16.75,887 5.194,888 10.617,889 11.925,890 7.733,891 19.923,892 10.465,893 3.158,894 1.91,895 18.539,896 5.08,897 11.535,898 12.873,899 8.231,900 22.089,901 11.367,902 2.983,903 10.878,904 20.34,905 4.945,906 12.679,907 14.282,908 9.032,909 24.452,910 12.474,911 2.903,912 9.369,913 22.151,914 3.626,915 13.687,916 15.316,917 9.607,918 26.707,919 13.458,920 2.819,921 9.104,922 23.97,923 3.476,924 14.798,925 16.682,926 10.351,927 29.055,928 14.535,929 2.765,930 8.813,931 25.796,932 3.435,933 15.852,934 17.774,935 10.969,936 31.359,937 15.56,938 2.656,939 8.609,940 27.629,941 3.271,942 16.954,943 19.113,944 11.683,945 33.708,946 16.629,947 2.536,948 8.25,949 29.467,950 3.198,951 18.034,952 20.247,953 12.326,954 36.04,955 17.676,956 99128,957 174467,958 46.35,959 85.915,960 108.31,961 117.027,962 111.357,963 106.564,964 106.595,965 125.599,966 43.345,967 293.835,968 104.815,969 5.278,970 5.998,971 6.593,972 5.22,973 5.158,974 6.626,975 3.536,976 18.265,977 5.045,978 49.815,979 1.484,980 1.603,981 1.525,982 1.46,983 1.46,984 1.721,985 0.594,986 4.025,987 1.436,988 4.023,989 4.066,990 4.171,991 3.911,992 7.454,993 3.91,994 3.924,995 3.966,996 3.927,997 3.848,998 7.436,999 3.842,1000 3.911,1001 3.941,1002 3.849,1003 3.777,1004 7.433,1005 3.784,1006 3.843,1007 3.889,1008 3.837,1009 3.683,1010 7.43,1011 3.691,1012 3.787,1013 3.842,1014 3.763,1015 3.626,1016 7.429,1017 3.618,1018 3.74,1019 3.788,1020 3.698,1021 3.596,1022 7.427,1023 3.574,1024 3.724,1025 3.766,1026 3.662,1027 3.557,1028 7.425,1029 3.57,1030 3.623,1031 3.671,1032 3.605,1033 3.497,1034 7.423,1035 3.47,1036 0.059,1037 0.055,1038 0.092,1039 0.056,1040 0.043,1041 4.278,1042 0.05,1043 3.998,1044 0.028,1045 6.732,1046 0.149,1047 4.124,1048 0.042,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.045,1054 1.932,1055 1.903,1056 2.06,1057 2.047,1058 1.317,1059 2.048,1060 1.914,1061 1.888,1062 2.035,1063 2.01,1064 1.287,1065 2.018,1066 1.801,1067 1.752,1068 2.011,1069 1.99,1070 1.254,1071 1.988,1072 1.768,1073 1.718,1074 1.968,1075 1.976,1076 1.218,1077 1.972,1078 1.716,1079 1.671,1080 1.873,1081 1.919,1082 1.214,1083 1.917,1084 1.661,1085 1.622,1086 1.856,1087 1.864,1088 1.158,1089 1.854,1090 1.622,1091 1.575,1092 1.815,1093 1.838,1094 1.095,1095 1.827,1096 1.595,1097 1.54,1098 1.777,1099 1.804,1100 1.061,1101 1.804,1102 4.99,1104 6.29,1105 2.398,1106 7.746,1107 4.595,1108 9.279,1109 6.605,1110 10.858,1111 3.585,1114 16.416,1115 9.894,1116 0.069,1117 18.455,1119 2.288,1120 -9.216,1121 1.264,1123 81.696,1124 231.725,1125 486.377,1126 687.06,1127 812.576,1128 871.105,1129 883.86,1130 487.743,1131 9.031,1132 356.44,1133 407.04,1134 37,1135 13.181,1136 4.524,1137 4.087,1138 180.3,1139 503,1140 531,1141 0.175,1142 516.564,1143 945.59,1144 1252.18,1145 142469,1147 51.329,1148 0.733,1149 0.584,1150 52.036,1151 40.873,1152 33.34,1153 0.457,1154 0.35,1155 22.892,1156 31.013,1157 22.279,1158 18.402,1159 34.465,1160 25.557,1161 30.173,1162 0.308,1163 0.205,1164 31.378,1165 20.075,1166 22.456,1167 0.192,1168 0.117,1169 23.624,1170 13.687,1171 17.596,1172 0.122,1173 0.069,1174 18.87,1175 9.894,1176 14.462,1177 0.083,1178 0.039,1179 15.79,1180 6.848,1181 0.276,1182 220.76,1183 0.147,1184 54.831,1185 0.479,1186 342,1187 1155.14,1188 423.67,1189 1129.99,1190 1447.77,1191 1040,1192 386,1193 945.429,1194 463.789,1195 969.661,1196 1392.52,1197 911,1198 9.585} {0 CHEMBL375323,1 1.725,2 19.521,3 -1.913,4 3.66,5 263.929,6 7.499,7 0.162,8 4.99,9 5.126,10 4.579,11 4.465,12 6.135,13 4.43,14 5.548,15 5.728,16 4.881,17 4.858,18 6.687,19 4.787,20 5.918,21 6.143,22 5.021,23 5.041,24 7.048,25 4.952,26 5.998,27 6.217,28 5.155,29 5.086,30 7.176,31 5.029,32 6.068,33 6.273,34 5.331,35 5.186,36 7.48,37 5.133,38 6.197,39 6.413,40 5.394,41 5.335,42 7.404,43 5.257,44 6.317,45 6.527,46 5.489,47 5.439,48 7.529,49 5.363,50 6.379,51 6.583,52 5.583,53 5.52,54 7.725,55 5.435,56 0.328,57 2.06,58 33.347,59 12.494,60 57.879,61 16.261,62 0.966,63 3.152,64 59.48,65 20.977,66 141.383,67 29.227,68 2.1,69 3.901,70 96.376,71 27.948,72 299.208,73 38.946,74 2.108,75 4.119,76 105.234,77 27.527,78 339.952,79 39.268,80 3.071,81 4.524,82 110.403,83 30.212,84 569.221,85 43.088,86 2.8,87 5.214,88 127.725,89 36.867,90 428.74,91 50.372,92 3.092,93 5.752,94 153.025,95 41.276,96 503.998,97 55.219,98 3.943,99 6.205,100 158.639,101 45.156,102 706.287,103 61.483,104 274,105 98,106 0.237,107 0.49,108 0.68,109 0.816,110 0.887,111 0.908,112 4.278,113 1.05,114 1.93,115 1.68,116 1.3,117 33.6,119 11,123 6,124 7,126 9,127 2,128 1,134 10,136 4,137 4,138 4,139 16,140 1,141 4,142 2,143 9,145 11,147 15,148 3,150 1,151 6,153 9,154 6,155 14,156 1,157 9,158 2,160 12,162 1,163 1,164 12,165 1,166 2,167 1,168 10,169 11,170 2,171 9,172 2,173 16,174 2,175 5,177 2,178 17,179 2,180 10,181 7,182 13,183 3,184 9,185 1,187 20,188 2,189 3,190 3,191 9,192 2,193 13,194 2,196 10,197 12,198 4,199 11,200 3,201 16,202 1,203 18,204 4,206 4,207 13,208 4,209 13,210 5,211 15,212 1,213 20,214 3,216 14181,217 46.896,218 46.896,219 46.896,220 46.896,221 46.896,222 43.913,223 47.699,224 28.581,225 47.435,226 36.441,227 36.441,228 36.441,229 36.441,230 36.441,231 31.564,232 38.54,233 13.577,234 37.202,235 5.373,236 3.529,237 2.145,238 1.156,239 0.633,240 0.482,241 4.961,245 2853,246 6.205,249 212.932,250 463.009,253 2.782,254 153.104,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 159,265 1386,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.045,275 4.145,276 3.861,277 6.237,278 3.962,279 2.977,280 3.476,281 2.003,282 9.346,283 2.923,284 4.079,285 3.817,286 6.165,287 3.887,288 2.901,289 3.435,290 1.987,291 9.098,292 2.854,293 4.022,294 3.806,295 6.088,296 3.803,297 2.815,298 3.268,299 1.973,300 8.798,301 2.773,302 3.97,303 3.728,304 6.014,305 3.756,306 2.765,307 3.198,308 1.946,309 8.602,310 2.732,311 3.891,312 3.692,313 5.915,314 3.633,315 2.64,316 3.143,317 1.929,318 8.219,319 2.617,320 3.866,321 3.628,322 5.826,323 3.522,324 2.536,325 3.058,326 1.909,327 7.888,328 2.502,329 3.737,330 3.573,331 5.373,332 3.511,333 2.513,334 2.912,335 1.898,336 7,337 2.496,338 3.683,339 3.507,340 5.286,341 3.369,342 2.366,343 2.853,344 1.886,345 6.709,346 2.367,347 3.552,348 3.494,349 5.086,350 3.243,351 2.23,352 2.734,353 1.886,354 5.928,355 2.248,356 3.52,357 3.474,358 5.001,359 3.216,360 2.202,361 2.673,362 0.634,363 5.753,364 2.218,365 3.46,366 3.243,367 4.883,368 3.107,369 2.077,370 2.641,371 0.404,372 5.641,373 2.12,374 3.382,375 2.817,376 4.682,377 3.007,378 2.031,379 2.613,380 0.346,381 5.193,382 1.968,383 3.108,384 2.733,385 4.642,386 2.896,387 1.919,388 2.121,389 0.325,390 4.957,391 1.856,392 2.938,393 2.555,394 4.403,395 2.707,396 1.711,397 2.088,398 0.23,399 4.28,400 1.7,401 33.133,402 0.467,403 1.774,404 0.025,405 72.5,406 1.021,407 27.5,408 0.387,409 45,410 0.634,411 109.708,412 1.545,413 83.267,414 0.608,415 94.43,416 1.33,417 13.615,418 0.192,419 20.369,420 0.287,421 0.159,423 0.314,425 0.79,426 1.353,427 0.77,428 1.029,429 0.647,430 1.01,431 0.558,432 1.378,433 0.955,434 1.266,435 0.523,436 1.198,437 0.979,438 0.972,439 1.059,440 1.032,441 1.005,442 1.023,443 1.29,444 1.089,445 1.003,446 0.993,447 1.27,448 0.94,449 0.922,450 1.101,451 0.879,452 0.99,453 0.92,454 0.954,455 1.049,456 0.985,457 1.026,458 1.004,459 1.041,460 0.976,461 1.33,462 1.056,463 1.219,464 1.097,465 1.32,466 0.986,467 0.968,468 1.102,469 1.102,470 1.141,471 0.994,472 1.065,473 15,474 1.2,475 7.556,476 4.368,477 4.823,478 2.872,479 2.325,480 2.274,481 1.567,482 1.323,483 104911,484 324347,485 1.948,486 48.2,487 2,488 28,491 16,492 4,493 16,495 1.937,496 1.797,497 4.184,498 10.626,500 236.343,501 1.725,502 3.569,503 4.953,504 5.943,505 6.465,506 6.616,507 3.545,508 5.801,509 6.122,510 4.401,511 10936.6,512 11.062,513 280665,516 972.43,517 1.497,518 6.062,519 0.203,520 0.007,521 0.077,522 0.041,523 0.04,524 0.02,525 0.015,526 0.014,527 0.009,528 0.007,529 0.433,530 0.17,531 0.5,532 1.626,533 465.277,534 -0.121,535 0.014,536 0.079,537 0.124,538 -0.062,539 0.069,540 0.129,541 -0.156,542 -0.041,543 -0.148,544 0.075,545 -0.134,546 -0.014,547 0.083,548 -0.055,549 -0.009,550 -0.085,551 -0.026,552 -0.176,553 -0.059,554 0.007,555 0.002,556 -0.151,557 0.035,558 0.183,559 -0.045,560 0.109,561 0.009,562 0.2,563 0.024,564 -0.023,565 0.084,566 0.012,567 0.039,568 -0.041,569 0.017,570 -0.189,571 0.005,572 -0.072,573 0.012,574 -0.149,575 0.009,576 0.094,577 -0.033,578 -0.015,579 -0.04,580 0.1,581 -0.054,582 2.995,583 7.522,584 0.521,585 119.297,586 1.013,587 1.141,588 -3.16,589 9.984,590 0.634,591 4.317,592 4.595,593 4.779,594 4.977,595 5.165,596 5.204,597 5.313,598 5.455,599 5.509,600 5.568,601 11.577,602 0.604,603 1027.38,604 4.317,605 5.844,606 6.655,607 7.506,608 8.343,609 9.198,610 10.047,611 10.906,612 11.761,613 12.623,614 8.8,615 2,620 10,624 9,627 3,628 12,631 1,634 137,635 22,636 2,637 74,638 140,639 46,640 12,641 3,642 9,644 4,645 4,649 2,652 9,654 18,655 22,656 24,658 10,660 10,662 10,665 66,666 23,667 16,668 25,669 2,670 12,672 1,673 11,676 1,679 1,680 2,683 2,684 7,685 1,686 2,692 4,693 1,694 2,698 71,699 4,701 1,702 17,703 7,705 2,706 7,707 1,711 8,713 1,714 10,717 39.5,718 22.567,719 16.167,720 7.982,721 1.11,722 1.122,723 0.919,724 25.812,725 10.172,726 4.511,727 4.92,728 5.209,729 5.529,730 5.926,731 5.822,732 5.957,733 6.249,734 6.355,735 6.393,736 0.786,737 107,738 27.21,739 12.179,740 8.171,741 49.176,742 39.983,743 2.671,744 189.667,748 588.555,749 237.169,750 260.788,752 294.133,754 60.363,755 176.806,756 882.688,757 260.788,759 298.89,760 85.286,761 341.179,762 6.371,764 648.919,766 588.555,767 437.594,768 294.133,769 60.363,770 400.217,771 482.47,773 298.89,774 138.704,776 60.363,777 588.555,778 554.921,779 237.169,781 588.555,782 151.883,783 88.411,784 126.075,785 425.721,786 588.555,787 554.921,788 237.169,789 0.567,790 0.315,791 0.164,792 0.096,793 33,794 21,795 0.136,796 19,798 1,799 6.476,800 865.208,802 37,803 428.632,804 2,806 58.956,807 31.084,808 20.436,810 554.921,811 14.757,814 1.216,815 300.347,816 1380.65,817 90,819 135.44,821 -7.747,822 138.832,823 156.333,824 0.243,825 0.503,826 0.698,827 0.837,828 0.911,829 0.932,830 5.756,831 2.513,832 6.627,833 7.888,834 5.283,835 5.609,836 4.187,837 7.382,838 5.247,839 6.9,840 2.366,841 8.158,842 7,843 4.844,844 5.345,845 3.703,846 8.192,847 4.827,848 8.166,849 2.23,850 9.789,851 6.709,852 6.825,853 7.49,854 5.259,855 11.267,856 6.752,857 9.456,858 2.202,859 11.479,860 5.928,861 7.186,862 7.97,863 5.361,864 12.902,865 7.125,866 10.775,867 2.077,868 13.208,869 5.753,870 8.636,871 9.638,872 6.467,873 15.496,874 8.525,875 12.111,876 2.031,877 14.963,878 5.641,879 9.368,880 10.432,881 6.828,882 17.49,883 9.254,884 13.462,885 1.919,886 16.738,887 5.193,888 10.604,889 11.922,890 7.733,891 19.913,892 10.449,893 3.158,894 1.711,895 18.528,896 4.957,897 11.519,898 12.869,899 8.231,900 22.081,901 11.347,902 2.977,903 10.878,904 20.331,905 4.28,906 12.665,907 14.279,908 9.032,909 24.444,910 12.459,911 2.901,912 9.346,913 22.142,914 3.626,915 13.672,916 15.313,917 9.607,918 26.7,919 13.441,920 2.815,921 9.098,922 23.962,923 3.476,924 14.785,925 16.68,926 10.351,927 29.048,928 14.52,929 2.765,930 8.798,931 25.789,932 3.435,933 15.839,934 17.771,935 10.969,936 31.352,937 15.544,938 2.64,939 8.602,940 27.622,941 3.268,942 16.941,943 19.111,944 11.683,945 33.701,946 16.613,947 2.536,948 8.219,949 29.461,950 3.198,951 18.021,952 20.244,953 12.326,954 36.034,955 17.66,956 103643,957 182480,958 47.331,959 86.921,960 108.747,961 117.14,962 112.097,963 107.216,964 107.243,965 126.25,966 43.345,967 292.658,968 105.374,969 5.278,970 5.998,971 6.641,972 5.22,973 5.158,974 6.626,975 3.536,976 18.265,977 5.045,978 48.772,979 1.47,980 1.583,981 1.515,982 1.449,983 1.449,984 1.706,985 0.586,986 3.955,987 1.424,988 4.023,989 4.066,990 4.171,991 3.911,992 7.454,993 3.909,994 3.924,995 3.966,996 3.927,997 3.848,998 7.436,999 3.842,1000 3.911,1001 3.94,1002 3.849,1003 3.777,1004 7.433,1005 3.784,1006 3.837,1007 3.883,1008 3.837,1009 3.664,1010 7.43,1011 3.676,1012 3.794,1013 3.85,1014 3.759,1015 3.634,1016 7.429,1017 3.631,1018 3.739,1019 3.783,1020 3.7,1021 3.6,1022 7.427,1023 3.572,1024 3.715,1025 3.761,1026 3.663,1027 3.552,1028 7.425,1029 3.558,1030 3.63,1031 3.697,1032 3.595,1033 3.476,1034 7.423,1035 3.451,1036 0.058,1037 0.054,1038 0.091,1039 0.056,1040 0.043,1041 4.278,1042 0.049,1043 3.998,1044 0.027,1045 6.732,1046 0.147,1047 4.124,1048 0.041,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.045,1054 1.931,1055 1.903,1056 2.059,1057 2.046,1058 1.334,1059 2.048,1060 1.914,1061 1.888,1062 2.035,1063 2.009,1064 1.292,1065 2.017,1066 1.787,1067 1.738,1068 1.998,1069 1.992,1070 1.252,1071 1.986,1072 1.776,1073 1.726,1074 1.967,1075 1.977,1076 1.217,1077 1.974,1078 1.706,1079 1.66,1080 1.866,1081 1.913,1082 1.217,1083 1.909,1084 1.661,1085 1.622,1086 1.861,1087 1.863,1088 1.157,1089 1.853,1090 1.627,1091 1.576,1092 1.814,1093 1.842,1094 1.094,1095 1.841,1096 1.591,1097 1.537,1098 1.785,1099 1.825,1100 1.061,1101 1.81,1102 5.004,1104 6.293,1105 2.398,1106 7.745,1107 4.595,1108 9.274,1109 6.605,1110 10.851,1114 22.216,1115 9.894,1116 1.065,1117 18.392,1119 2.277,1120 -9.107,1121 1.265,1123 82.717,1124 236.343,1125 488.961,1126 678.527,1127 814.127,1128 885.676,1129 906.43,1130 499.785,1131 9.062,1132 382.46,1133 433.06,1134 37,1135 13.174,1136 4.524,1137 4.087,1138 184.639,1139 515,1140 540,1141 0.174,1142 523.358,1143 956.59,1144 1268.75,1145 148707,1147 51.873,1148 0.731,1149 0.577,1150 52.58,1151 40.994,1152 33.984,1153 0.459,1154 0.35,1155 23.224,1156 31.61,1157 22.726,1158 18.707,1159 35.109,1160 25.903,1161 30.039,1162 0.307,1163 0.201,1164 31.244,1165 19.73,1166 22.861,1167 0.194,1168 0.118,1169 24.028,1170 13.927,1171 17.721,1172 0.123,1173 0.069,1174 18.995,1175 9.953,1176 14.466,1177 0.083,1178 0.04,1179 15.793,1180 6.908,1181 0.274,1182 224.979,1183 0.145,1184 55.487,1185 0.474,1186 344,1187 1166.45,1188 426.364,1189 1140.28,1190 1460.33,1191 1050,1192 388,1193 951.851,1194 466.289,1195 974.649,1196 1400.2,1197 917,1198 9.347} {0 CHEMBL375324,1 1.76,2 20.342,3 -2.763,4 7.633,5 280.172,6 7.621,7 0.152,8 5.046,9 5.187,10 4.641,11 4.498,12 6.227,13 4.474,14 5.586,15 5.768,16 4.948,17 4.885,18 6.78,19 4.824,20 5.942,21 6.161,22 5.065,23 5.067,24 7.098,25 4.989,26 6.034,27 6.251,28 5.193,29 5.125,30 7.217,31 5.07,32 6.117,33 6.327,34 5.365,35 5.226,36 7.516,37 5.173,38 6.239,39 6.46,40 5.428,41 5.369,42 7.437,43 5.292,44 6.349,45 6.562,46 5.543,47 5.471,48 7.555,49 5.4,50 6.419,51 6.625,52 5.655,53 5.554,54 7.795,55 5.481,56 0.42,57 2.202,58 34.362,59 12.218,60 70.871,61 16.284,62 1.149,63 3.287,64 60.765,65 21.168,66 160.09,67 29.536,68 2.306,69 3.99,70 97.166,71 26.939,72 322.286,73 38.166,74 2.323,75 4.229,76 107.622,77 27.724,78 370.772,79 40.07,80 3.297,81 4.672,82 114.858,83 31.018,84 598.062,85 44.868,86 3.075,87 5.337,88 132.41,89 37.684,90 465.369,91 52.252,92 3.298,93 5.892,94 156.371,95 41.995,96 519.006,97 56.949,98 4.331,99 6.419,100 162.79,101 45.083,102 743.704,103 62.337,104 347,105 105,106 0.239,107 0.501,108 0.679,109 0.803,110 0.856,111 0.872,112 4.345,113 1.019,114 2.12,115 1.86,116 1.46,117 32.6,119 10,123 6,124 7,126 9,127 2,128 1,134 10,135 2,136 6,137 6,138 6,139 15,140 1,141 6,142 6,143 13,144 2,145 9,146 4,147 14,148 1,149 2,150 1,151 8,153 9,154 6,155 12,156 1,157 9,160 12,162 1,163 1,164 14,165 1,166 2,167 4,168 10,169 10,170 2,171 11,172 1,173 19,174 1,175 5,176 4,177 4,178 16,179 1,180 11,181 5,182 13,183 1,184 9,185 1,186 2,187 19,189 1,190 6,191 9,192 5,193 12,194 2,196 11,197 14,198 7,199 15,200 6,201 13,202 4,203 17,204 1,206 6,207 14,208 7,209 17,210 4,211 13,213 20,214 1,216 17582,217 49.586,218 49.586,219 49.586,220 49.586,221 49.586,222 45.825,223 55.141,224 30.012,225 50.378,226 38.976,227 38.976,228 38.976,229 38.976,230 38.976,231 33.133,232 48.539,233 14.38,234 40.112,235 5.41,236 3.477,237 2.169,238 1.256,239 0.866,240 0.75,241 5.026,245 3172,246 6.745,249 230.805,250 499.724,253 2.991,254 163.864,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 171,265 1546,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.045,275 4.145,276 3.861,277 6.237,278 3.962,279 2.977,280 3.476,281 2.003,282 9.346,283 2.923,284 4.079,285 3.817,286 6.165,287 3.887,288 2.901,289 3.435,290 1.987,291 9.098,292 2.854,293 4.022,294 3.806,295 6.088,296 3.803,297 2.816,298 3.268,299 1.973,300 8.798,301 2.773,302 3.971,303 3.728,304 6.014,305 3.756,306 2.765,307 3.198,308 1.946,309 8.602,310 2.732,311 3.891,312 3.692,313 5.915,314 3.633,315 2.64,316 3.143,317 1.929,318 8.219,319 2.618,320 3.866,321 3.628,322 5.826,323 3.522,324 2.536,325 3.058,326 1.909,327 7.888,328 2.502,329 3.737,330 3.573,331 5.373,332 3.512,333 2.514,334 2.915,335 1.898,336 7,337 2.496,338 3.686,339 3.507,340 5.286,341 3.369,342 2.366,343 2.902,344 1.886,345 6.709,346 2.367,347 3.658,348 3.494,349 5.086,350 3.243,351 2.235,352 2.898,353 1.886,354 5.928,355 2.248,356 3.655,357 3.474,358 5.001,359 3.217,360 2.233,361 2.852,362 1.2,363 5.753,364 2.218,365 3.552,366 3.243,367 4.883,368 3.136,369 2.225,370 2.734,371 1.2,372 5.641,373 2.12,374 3.519,375 2.818,376 4.684,377 3.134,378 2.196,379 2.673,380 0.634,381 5.209,382 2.022,383 3.46,384 2.815,385 4.659,386 3.106,387 2.077,388 2.641,389 0.404,390 5.183,391 2.021,392 3.382,393 2.815,394 4.657,395 3.007,396 2.031,397 2.613,398 0.346,399 5.166,400 1.968,401 35.233,402 0.464,403 2.063,404 0.027,405 79.5,406 1.046,407 30.5,408 0.401,409 49,410 0.645,411 117.508,412 1.546,413 88.967,414 0.618,415 107.11,416 1.409,417 15.455,418 0.203,419 20.74,420 0.273,421 0.172,423 0.324,425 0.841,426 1.39,427 0.773,428 1.022,429 0.695,430 0.989,431 0.539,432 1.311,433 0.932,434 1.264,435 0.498,436 1.185,437 1.055,438 0.972,439 1.12,440 1.048,441 1.059,442 1.054,443 1.292,444 1.092,445 1.029,446 1.025,447 1.281,448 0.976,449 0.913,450 1.077,451 0.889,452 1.006,453 0.919,454 0.973,455 1.02,456 0.971,457 1.013,458 1.01,459 1.036,460 0.978,461 1.252,462 1.059,463 1.171,464 1.116,465 1.27,466 0.98,467 0.934,468 1.067,469 1.08,470 1.141,471 0.948,472 1.053,473 17,474 1.391,475 8,476 4.618,477 4.983,478 2.872,479 2.447,480 2.493,481 1.691,482 1.423,483 125718,484 406248,485 1.936,486 47.2,488 28,491 20,492 4,493 16,495 1.952,496 1.781,497 4.226,498 14.111,500 253.402,501 1.76,502 3.693,503 5.001,504 5.914,505 6.304,506 6.42,507 3.632,508 5.817,509 6.219,510 4.463,511 12718.6,512 11.262,513 344654,516 1032.47,517 1.516,518 6.156,519 0.215,520 0.007,521 0.076,522 0.041,523 0.04,524 0.02,525 0.016,526 0.014,527 0.009,528 0.007,529 0.445,530 0.17,531 0.5,532 1.765,533 507.032,534 -0.151,535 -0.008,536 0.069,537 0.129,538 -0.086,539 0.076,540 0.166,541 -0.078,542 -0.02,543 -0.137,544 0.11,545 -0.122,546 -0.07,547 0.101,548 -0.115,549 -0.016,550 -0.12,551 -0.059,552 -0.195,553 -0.063,554 -0.024,555 -0.011,556 -0.166,557 0.011,558 0.163,559 -0.035,560 0.095,561 0.008,562 0.183,563 0.018,564 -0.017,565 0.079,566 0.021,567 0.049,568 -0.045,569 0.029,570 -0.155,571 -0.008,572 -0.033,573 0.015,574 -0.136,575 0.033,576 0.12,577 0.007,578 0.002,579 -0.034,580 0.13,581 -0.04,582 3.055,583 7.622,584 0.487,585 138.571,586 1.016,587 1.145,588 -3.349,589 11.213,590 0.633,591 4.382,592 4.663,593 4.82,594 5.011,595 5.193,596 5.236,597 5.366,598 5.517,599 5.572,600 5.638,601 12.15,602 0.606,603 1097.45,604 4.382,605 5.911,606 6.715,607 7.564,608 8.393,609 9.245,610 10.087,611 10.944,612 11.794,613 12.654,614 11.1,615 4,620 10,621 2,624 9,627 3,628 12,631 1,634 144,635 24,636 2,637 79,638 147,639 47,640 12,641 3,642 9,644 4,645 4,647 2,652 9,654 17,655 24,656 23,658 12,660 10,661 2,662 12,665 68,666 27,667 20,668 29,669 2,670 16,672 1,673 11,676 1,679 1,680 2,683 2,684 7,685 1,686 4,692 4,693 1,694 2,698 76,699 6,701 1,702 16,703 7,705 2,706 7,707 1,711 7.6,713 1,714 10,717 42.667,718 23.633,719 17.083,720 8.032,721 1.158,722 1.126,723 0.922,724 27.495,725 10.346,726 4.585,727 5.011,728 5.268,729 5.572,730 5.955,731 5.862,732 6.027,733 6.33,734 6.427,735 6.467,736 0.857,737 112,738 29.039,739 12.953,740 8.204,741 52.063,742 41.887,743 2.704,744 205.5,748 565.013,749 238.433,750 360.154,752 294.133,754 60.363,755 178.07,756 859.146,757 360.154,759 362.15,760 85.286,761 341.179,762 39.942,763 3.798,764 625.376,766 565.013,767 538.223,768 294.133,769 60.363,770 376.675,771 482.47,773 395.721,774 142.502,776 60.363,777 565.013,778 654.286,779 238.433,781 565.013,782 153.147,783 88.411,784 126.075,785 525.087,786 565.013,787 654.286,788 238.433,789 0.572,790 0.308,791 0.156,792 0.09,793 35,794 23,795 0.136,796 20,798 1,799 6.774,800 943.98,802 37,803 462.842,804 2,806 63.197,807 33.065,808 23.041,810 654.286,811 14.617,814 1.148,815 366.142,816 1457.73,817 97,819 136.559,820 7.835,821 -8.641,822 146.356,823 164.911,824 0.245,825 0.515,826 0.697,827 0.825,828 0.879,829 0.895,830 5.832,831 2.514,832 6.691,833 7.888,834 5.352,835 5.7,836 4.26,837 7.435,838 5.303,839 6.988,840 2.366,841 8.217,842 7,843 4.934,844 5.453,845 3.744,846 8.231,847 4.894,848 8.258,849 2.235,850 9.841,851 6.709,852 6.887,853 7.591,854 5.288,855 11.292,856 6.794,857 9.549,858 2.233,859 11.524,860 5.928,861 7.245,862 8.063,863 5.377,864 12.915,865 7.162,866 10.867,867 2.225,868 13.245,869 5.753,870 8.684,871 9.729,872 6.478,873 15.505,874 8.553,875 12.201,876 2.196,877 14.993,878 5.641,879 9.405,880 10.51,881 6.834,882 17.495,883 9.274,884 13.547,885 2.077,886 16.762,887 5.209,888 10.636,889 11.996,890 7.737,891 19.916,892 10.465,893 3.158,894 2.031,895 18.547,896 5.183,897 11.542,898 12.932,899 8.234,900 22.082,901 11.359,902 2.977,903 10.878,904 20.345,905 5.166,906 12.686,907 14.336,908 9.034,909 24.445,910 12.468,911 2.901,912 9.346,913 22.153,914 3.626,915 13.686,916 15.362,917 9.608,918 26.7,919 13.447,920 2.816,921 9.098,922 23.97,923 3.476,924 14.797,925 16.722,926 10.352,927 29.048,928 14.524,929 2.765,930 8.798,931 25.795,932 3.435,933 15.847,934 17.808,935 10.97,936 31.352,937 15.547,938 2.64,939 8.602,940 27.627,941 3.268,942 16.948,943 19.142,944 11.683,945 33.701,946 16.615,947 2.536,948 8.219,949 29.464,950 3.198,951 18.026,952 20.271,953 12.326,954 36.034,955 17.661,956 124548,957 224103,958 50.221,959 91.183,960 116.768,961 124.924,962 119.289,963 115.048,964 115.035,965 136.777,966 48.661,967 313.121,968 112.253,969 5.278,970 5.998,971 6.534,972 5.22,973 5.158,974 6.626,975 3.536,976 18.265,977 5.045,978 54.527,979 1.478,980 1.581,981 1.51,982 1.456,983 1.456,984 1.731,985 0.616,986 3.964,987 1.421,988 4.026,989 4.069,990 4.172,991 3.912,992 7.454,993 3.91,994 3.924,995 3.966,996 3.929,997 3.848,998 7.436,999 3.842,1000 3.911,1001 3.941,1002 3.849,1003 3.777,1004 7.433,1005 3.784,1006 3.839,1007 3.886,1008 3.837,1009 3.666,1010 7.43,1011 3.68,1012 3.794,1013 3.851,1014 3.762,1015 3.626,1016 7.429,1017 3.625,1018 3.74,1019 3.789,1020 3.704,1021 3.597,1022 7.427,1023 3.572,1024 3.722,1025 3.768,1026 3.664,1027 3.553,1028 7.425,1029 3.562,1030 3.64,1031 3.711,1032 3.609,1033 3.485,1034 7.423,1035 3.466,1036 0.054,1037 0.051,1038 0.085,1039 0.052,1040 0.04,1041 4.278,1042 0.046,1043 3.998,1044 0.026,1045 6.732,1046 0.138,1047 4.124,1048 0.039,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.045,1054 1.931,1055 1.903,1056 2.059,1057 2.046,1058 1.295,1059 2.048,1060 1.914,1061 1.888,1062 2.035,1063 2.009,1064 1.291,1065 2.017,1066 1.783,1067 1.737,1068 1.965,1069 1.99,1070 1.252,1071 1.979,1072 1.769,1073 1.718,1074 1.964,1075 1.976,1076 1.217,1077 1.97,1078 1.707,1079 1.661,1080 1.865,1081 1.918,1082 1.214,1083 1.91,1084 1.661,1085 1.622,1086 1.856,1087 1.864,1088 1.157,1089 1.853,1090 1.621,1091 1.572,1092 1.814,1093 1.848,1094 1.094,1095 1.831,1096 1.593,1097 1.538,1098 1.773,1099 1.828,1100 1.06,1101 1.81,1102 5.069,1104 6.361,1105 2.398,1106 7.807,1107 4.595,1108 9.328,1109 6.605,1110 10.894,1114 32.698,1115 9.928,1116 -0.777,1117 18.263,1119 2.223,1120 -9.58,1121 1.226,1123 87.276,1124 253.402,1125 531.808,1126 720.094,1127 851.675,1128 907.714,1129 924.469,1130 549.764,1131 9.188,1132 459.22,1133 509.82,1134 37,1135 13.207,1136 4.644,1137 4.248,1138 206.82,1139 574,1140 625,1141 0.173,1142 554.273,1143 1012.61,1144 1344.19,1145 174078,1147 55.735,1148 0.733,1149 0.57,1150 56.442,1151 43.336,1152 36.195,1153 0.458,1154 0.34,1155 24.094,1156 33.606,1157 23.579,1158 19.401,1159 37.32,1160 26.821,1161 32.758,1162 0.312,1163 0.194,1164 33.963,1165 20.412,1166 23.967,1167 0.195,1168 0.115,1169 25.134,1170 14.174,1171 18.516,1172 0.124,1173 0.068,1174 19.79,1175 10.145,1176 14.989,1177 0.084,1178 0.039,1179 16.316,1180 7.019,1181 0.273,1182 239.605,1183 0.141,1184 58.458,1185 0.472,1186 368,1187 1272.36,1188 456.858,1189 1246.55,1190 1597.15,1191 1146,1192 412,1193 1050.61,1194 494.618,1195 1074.91,1196 1536.12,1197 1009,1198 9.886} {0 CHEMBL375325,1 1.739,2 19.676,3 -2.11,4 4.451,5 274.351,6 7.531,7 0.156,8 5.028,9 5.167,10 4.616,11 4.492,12 6.187,13 4.461,14 5.578,15 5.76,16 4.92,17 4.882,18 6.74,19 4.814,20 5.941,21 6.165,22 5.048,23 5.064,24 7.079,25 4.979,26 6.026,27 6.246,28 5.178,29 5.115,30 7.201,31 5.058,32 6.102,33 6.311,34 5.351,35 5.215,36 7.5,37 5.16,38 6.227,39 6.446,40 5.416,41 5.361,42 7.42,43 5.282,44 6.342,45 6.554,46 5.524,47 5.464,48 7.55,49 5.39,50 6.409,51 6.614,52 5.627,53 5.547,54 7.771,55 5.468,56 0.367,57 2.151,58 34.33,59 12.523,60 63.662,61 16.54,62 1.054,63 3.252,64 60.969,65 21.353,66 150.975,67 29.833,68 2.199,69 3.984,70 97.985,71 27.802,72 310.387,73 39.176,74 2.203,75 4.212,76 107.636,77 27.972,78 353.232,79 40.291,80 3.173,81 4.638,82 113.891,83 30.923,84 583.663,85 44.573,86 2.905,87 5.32,88 131.237,89 37.617,90 441.056,91 51.91,92 3.191,93 5.877,94 156.058,95 41.966,96 508.623,97 56.666,98 4.159,99 6.372,100 162.46,101 45.56,102 731.991,103 62.642,104 313,105 102,106 0.237,107 0.499,108 0.692,109 0.831,110 0.893,111 0.907,112 4.319,113 1.037,114 1.95,115 1.7,116 1.31,117 33.1,119 11,123 6,124 7,126 9,127 2,128 1,134 10,135 1,136 5,137 5,138 5,139 16,140 1,141 5,142 4,143 11,144 1,145 10,146 2,147 15,148 2,149 1,150 1,151 7,153 9,154 6,155 13,156 1,157 9,158 1,160 12,162 1,163 1,164 14,165 1,166 2,167 3,168 10,169 11,170 2,171 10,172 1,173 18,174 1,175 5,176 2,177 3,178 17,179 1,180 10,181 6,182 13,183 2,184 9,185 1,186 1,187 20,188 1,189 2,190 5,191 9,192 4,193 13,194 2,196 10,197 14,198 6,199 14,200 4,201 14,202 2,203 18,204 2,206 5,207 14,208 5,209 15,210 4,211 14,213 20,214 2,216 15714,217 48.594,218 48.594,219 48.594,220 48.594,221 48.594,222 45.223,223 51.42,224 29.546,225 49.26,226 37.959,227 37.959,228 37.959,229 37.959,230 37.959,231 32.598,232 43.54,233 14.105,234 38.907,235 5.411,236 3.49,237 2.068,238 1.048,239 0.597,240 0.493,241 5.001,245 2990,246 6.519,249 222.061,250 481.675,253 2.766,254 159.126,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 166,265 1456,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.045,275 4.145,276 3.861,277 6.237,278 3.962,279 2.977,280 3.476,281 2.003,282 9.346,283 2.923,284 4.079,285 3.817,286 6.165,287 3.887,288 2.901,289 3.435,290 1.987,291 9.098,292 2.854,293 4.022,294 3.806,295 6.088,296 3.803,297 2.815,298 3.268,299 1.973,300 8.798,301 2.773,302 3.97,303 3.728,304 6.014,305 3.756,306 2.765,307 3.198,308 1.946,309 8.602,310 2.732,311 3.891,312 3.692,313 5.915,314 3.633,315 2.64,316 3.143,317 1.929,318 8.219,319 2.618,320 3.866,321 3.628,322 5.826,323 3.522,324 2.536,325 3.058,326 1.909,327 7.888,328 2.502,329 3.737,330 3.573,331 5.373,332 3.512,333 2.513,334 2.914,335 1.898,336 7,337 2.496,338 3.686,339 3.507,340 5.286,341 3.369,342 2.366,343 2.9,344 1.886,345 6.709,346 2.367,347 3.655,348 3.494,349 5.086,350 3.243,351 2.233,352 2.852,353 1.886,354 5.928,355 2.248,356 3.552,357 3.474,358 5.001,359 3.216,360 2.225,361 2.734,362 1.2,363 5.753,364 2.218,365 3.52,366 3.243,367 4.883,368 3.136,369 2.202,370 2.673,371 0.634,372 5.641,373 2.12,374 3.46,375 2.818,376 4.682,377 3.106,378 2.077,379 2.641,380 0.404,381 5.193,382 2.022,383 3.382,384 2.815,385 4.659,386 3.007,387 2.031,388 2.613,389 0.346,390 5.182,391 1.968,392 3.108,393 2.733,394 4.642,395 2.896,396 1.918,397 2.121,398 0.325,399 4.957,400 1.855,401 34.433,402 0.465,403 1.918,404 0.026,405 76.25,406 1.03,407 29,408 0.392,409 47.25,410 0.639,411 115.21,412 1.557,413 86.767,414 0.611,415 101.357,416 1.37,417 14.535,418 0.196,419 20.805,420 0.281,421 0.165,423 0.317,425 0.815,426 1.373,427 0.775,428 1.03,429 0.67,430 1.004,431 0.547,432 1.344,433 0.945,434 1.267,435 0.509,436 1.195,437 1.013,438 0.971,439 1.086,440 1.039,441 1.028,442 1.037,443 1.287,444 1.089,445 1.014,446 1.009,447 1.272,448 0.958,449 0.919,450 1.09,451 0.884,452 0.997,453 0.919,454 0.962,455 1.037,456 0.982,457 1.017,458 1.007,459 1.042,460 0.975,461 1.295,462 1.054,463 1.194,464 1.104,465 1.299,466 0.981,467 0.96,468 1.086,469 1.092,470 1.14,471 0.98,472 1.058,473 16,474 1.299,475 7.778,476 4.493,477 4.903,478 2.872,479 2.407,480 2.399,481 1.617,482 1.403,483 116084,484 364313,485 1.942,486 47.9,487 2,488 28,491 18,492 4,493 16,495 1.947,496 1.79,497 4.179,498 12.334,500 246.894,501 1.739,502 3.66,503 5.082,504 6.102,505 6.553,506 6.657,507 3.52,508 5.757,509 6.181,510 4.414,511 11921.4,512 11.188,513 315579,516 1015.26,517 1.504,518 6.12,519 0.208,520 0.007,521 0.076,522 0.041,523 0.04,524 0.02,525 0.016,526 0.014,527 0.009,528 0.007,529 0.437,530 0.17,531 0.5,532 1.7,533 489.665,534 -0.134,535 0.004,536 0.074,537 0.125,538 -0.073,539 0.071,540 0.149,541 -0.117,542 -0.031,543 -0.143,544 0.093,545 -0.129,546 -0.038,547 0.091,548 -0.081,549 -0.012,550 -0.099,551 -0.04,552 -0.182,553 -0.061,554 -0.006,555 -0.004,556 -0.155,557 0.024,558 0.172,559 -0.042,560 0.103,561 0.01,562 0.191,563 0.024,564 -0.022,565 0.078,566 0.02,567 0.045,568 -0.047,569 0.026,570 -0.17,571 0.004,572 -0.051,573 0.014,574 -0.141,575 0.022,576 0.107,577 -0.014,578 -0.007,579 -0.036,580 0.117,581 -0.047,582 3.036,583 7.582,584 0.5,585 129.507,586 1.014,587 1.143,588 -3.18,589 10.109,590 0.633,591 4.357,592 4.635,593 4.804,594 4.997,595 5.182,596 5.226,597 5.347,598 5.493,599 5.549,600 5.617,601 11.792,602 0.604,603 1069.43,604 4.357,605 5.883,606 6.691,607 7.54,608 8.372,609 9.225,610 10.07,611 10.928,612 11.78,613 12.641,614 9.9,615 3,620 10,621 1,624 9,627 3,628 12,631 1,634 142,635 23,636 2,637 77,638 145,639 47,640 12,641 3,642 9,644 4,645 4,647 1,649 1,652 9,654 18,655 23,656 24,658 11,660 10,661 1,662 11,665 68,666 25,667 18,668 27,669 2,670 14,672 1,673 11,676 1,679 1,680 2,683 2,684 7,685 1,686 3,692 4,693 1,694 2,698 74,699 5,701 1,702 17,703 7,705 2,706 7,707 1,711 7.7,713 1,714 10,717 41.333,718 23.35,719 16.75,720 8.132,721 1.12,722 1.123,723 0.92,724 27.011,725 10.25,726 4.554,727 4.97,728 5.242,729 5.553,730 5.942,731 5.845,732 5.997,733 6.294,734 6.396,735 6.438,736 0.786,737 110,738 28.32,739 12.643,740 8.18,741 51.028,742 41.268,743 2.68,744 198.333,748 588.555,749 239.069,750 310.471,752 294.133,754 60.363,755 178.705,756 882.688,757 310.471,759 331.788,760 85.286,761 341.179,762 23.157,763 1.899,764 648.919,766 588.555,767 489.176,768 294.133,769 60.363,770 400.217,771 482.47,773 348.573,774 140.603,776 60.363,777 588.555,778 604.604,779 239.069,781 588.555,782 153.782,783 88.411,784 126.075,785 475.404,786 588.555,787 604.604,788 239.069,789 0.569,790 0.31,791 0.159,792 0.092,793 34,794 22,795 0.138,796 20,798 1,799 6.646,800 913.854,802 37,803 449.5,804 2,806 61.572,807 32.463,808 22.034,810 604.604,811 14.663,814 1.168,815 333.245,816 1432.23,817 94,819 136.222,820 3.948,821 -8.194,822 144.036,823 162.33,824 0.243,825 0.512,826 0.711,827 0.853,828 0.917,829 0.931,830 5.799,831 2.513,832 6.663,833 7.888,834 5.323,835 5.659,836 4.224,837 7.412,838 5.281,839 6.948,840 2.366,841 8.191,842 7,843 4.89,844 5.4,845 3.724,846 8.212,847 4.861,848 8.215,849 2.233,850 9.817,851 6.709,852 6.86,853 7.543,854 5.274,855 11.28,856 6.777,857 9.505,858 2.225,859 11.503,860 5.928,861 7.216,862 8.018,863 5.369,864 12.909,865 7.143,866 10.823,867 2.202,868 13.227,869 5.753,870 8.662,871 9.685,872 6.472,873 15.501,874 8.541,875 12.158,876 2.077,877 14.979,878 5.641,879 9.387,880 10.472,881 6.831,882 17.493,883 9.264,884 13.506,885 2.031,886 16.75,887 5.193,888 10.621,889 11.96,890 7.735,891 19.915,892 10.458,893 3.158,894 1.918,895 18.538,896 5.182,897 11.53,898 12.901,899 8.233,900 22.081,901 11.353,902 2.977,903 10.878,904 20.338,905 4.957,906 12.676,907 14.308,908 9.033,909 24.444,910 12.464,911 2.901,912 9.346,913 22.148,914 3.626,915 13.679,916 15.337,917 9.607,918 26.7,919 13.444,920 2.815,921 9.098,922 23.966,923 3.476,924 14.791,925 16.701,926 10.352,927 29.048,928 14.522,929 2.765,930 8.798,931 25.792,932 3.435,933 15.843,934 17.79,935 10.97,936 31.352,937 15.545,938 2.64,939 8.602,940 27.624,941 3.268,942 16.945,943 19.126,944 11.683,945 33.701,946 16.614,947 2.536,948 8.219,949 29.462,950 3.198,951 18.023,952 20.258,953 12.326,954 36.034,955 17.661,956 114922,957 203829,958 49.123,959 89.933,960 113.501,961 121.744,962 116.32,963 111.837,964 111.834,965 132.211,966 46.003,967 304.256,968 109.506,969 5.278,970 5.998,971 6.641,972 5.22,973 5.158,974 6.626,975 3.536,976 18.265,977 5.045,978 51.825,979 1.474,980 1.581,981 1.511,982 1.452,983 1.452,984 1.717,985 0.597,986 3.951,987 1.422,988 4.025,989 4.068,990 4.171,991 3.912,992 7.454,993 3.91,994 3.924,995 3.966,996 3.928,997 3.848,998 7.436,999 3.842,1000 3.911,1001 3.941,1002 3.849,1003 3.778,1004 7.433,1005 3.784,1006 3.839,1007 3.886,1008 3.837,1009 3.667,1010 7.43,1011 3.68,1012 3.795,1013 3.851,1014 3.762,1015 3.635,1016 7.429,1017 3.632,1018 3.74,1019 3.789,1020 3.701,1021 3.601,1022 7.427,1023 3.573,1024 3.722,1025 3.768,1026 3.663,1027 3.554,1028 7.425,1029 3.562,1030 3.639,1031 3.699,1032 3.609,1033 3.485,1034 7.423,1035 3.466,1036 0.056,1037 0.052,1038 0.087,1039 0.054,1040 0.041,1041 4.278,1042 0.047,1043 3.998,1044 0.026,1045 6.732,1046 0.141,1047 4.124,1048 0.04,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.045,1054 1.931,1055 1.903,1056 2.059,1057 2.046,1058 1.334,1059 2.048,1060 1.914,1061 1.888,1062 2.035,1063 2.009,1064 1.295,1065 2.017,1066 1.787,1067 1.739,1068 1.998,1069 1.992,1070 1.252,1071 1.986,1072 1.778,1073 1.727,1074 1.964,1075 1.978,1076 1.217,1077 1.974,1078 1.709,1079 1.663,1080 1.866,1081 1.918,1082 1.217,1083 1.911,1084 1.661,1085 1.622,1086 1.861,1087 1.864,1088 1.157,1089 1.853,1090 1.629,1091 1.578,1092 1.814,1093 1.848,1094 1.094,1095 1.842,1096 1.595,1097 1.541,1098 1.785,1099 1.827,1100 1.062,1101 1.814,1102 5.043,1104 6.333,1105 2.398,1106 7.78,1107 4.595,1108 9.304,1109 6.605,1110 10.875,1114 27.488,1115 9.922,1116 0.588,1117 18.37,1119 2.253,1120 -9.35,1121 1.255,1123 85.76,1124 246.894,1125 519.666,1126 721.625,1127 866.47,1128 930.509,1129 945.264,1130 530.711,1131 9.13,1132 420.84,1133 471.44,1134 37,1135 13.193,1136 4.585,1137 4.17,1138 197.668,1139 550,1140 573,1141 0.175,1142 543.612,1143 993.25,1144 1318.17,1145 160758,1147 54.158,1148 0.732,1149 0.575,1150 54.865,1151 42.519,1152 35.34,1153 0.459,1154 0.346,1155 23.909,1156 32.858,1157 23.398,1158 19.262,1159 36.465,1160 26.612,1161 31.575,1162 0.31,1163 0.199,1164 32.78,1165 20.247,1166 23.539,1167 0.195,1168 0.117,1169 24.706,1170 14.176,1171 18.214,1172 0.124,1173 0.069,1174 19.488,1175 10.134,1176 14.761,1177 0.083,1178 0.04,1179 16.089,1180 7.019,1181 0.275,1182 233.792,1183 0.143,1184 57.202,1185 0.479,1186 358,1187 1221.41,1188 443.611,1189 1195.49,1190 1531.62,1191 1100,1192 402,1193 1003.23,1194 482.454,1195 1026.86,1196 1471.04,1197 965,1198 9.222} {0 CHEMBL376685,1 1.772,2 20.23,3 -2.956,4 8.739,5 269.652,6 7.749,7 0.156,8 5.005,9 5.14,10 4.616,11 4.468,12 6.196,13 4.446,14 5.548,15 5.723,16 4.928,17 4.856,18 6.761,19 4.799,20 5.912,21 6.124,22 5.049,23 5.039,24 7.092,25 4.965,26 6.002,27 6.214,28 5.178,29 5.093,30 7.205,31 5.044,32 6.079,33 6.282,34 5.358,35 5.194,36 7.511,37 5.149,38 6.205,39 6.418,40 5.425,41 5.34,42 7.458,43 5.27,44 6.32,45 6.527,46 5.524,47 5.443,48 7.562,49 5.375,50 6.383,51 6.583,52 5.631,53 5.522,54 7.772,55 5.452,56 0.428,57 2.102,58 32.2,59 12.044,60 72.535,61 15.472,62 1.141,63 3.17,64 57.459,65 20.616,66 165.126,67 28.228,68 2.368,69 3.891,70 93.889,71 26.723,72 343.901,73 36.695,74 2.41,75 4.129,76 103.934,77 27.143,78 394.992,79 38.183,80 3.339,81 4.549,82 109.653,83 30.237,84 606.243,85 42.634,86 3.204,87 5.217,88 126.993,89 36.798,90 499.151,91 49.871,92 3.467,93 5.754,94 151.668,95 41.116,96 575.448,97 54.459,98 4.324,99 6.224,100 156.53,101 44.318,102 754.922,103 59.679,104 339,105 103,106 0.242,107 0.501,108 0.686,109 0.831,110 0.89,111 0.907,112 4.319,113 1.015,114 2.43,115 2.16,116 1.72,117 33.3,119 10,123 5,124 7,126 9,127 2,128 1,134 11,135 1,136 5,137 5,138 5,139 15,140 1,141 6,142 5,143 12,144 1,145 10,146 2,147 14,148 2,149 1,150 1,151 8,153 9,154 6,155 13,156 1,157 9,158 1,160 12,162 1,163 1,164 12,165 1,166 2,167 2,168 10,169 10,170 2,171 11,172 2,173 17,174 2,175 5,176 2,177 4,178 16,179 2,180 12,181 6,182 13,183 2,184 9,185 1,186 2,187 19,188 1,189 2,190 4,191 9,192 3,193 12,194 2,196 11,197 14,198 5,199 13,200 5,201 15,202 3,203 17,204 3,206 6,207 14,208 6,209 16,210 5,211 14,212 1,213 20,214 2,216 16370,217 48.172,218 48.172,219 48.172,220 48.172,221 48.172,222 44.593,223 53.181,224 29.026,225 48.795,226 37.976,227 37.976,228 37.976,229 37.976,230 37.976,231 32.295,232 46.895,233 13.904,234 38.855,235 5.336,236 3.446,237 2.093,238 1.035,239 0.6,240 0.478,241 5,245 3076,246 6.595,249 224.576,250 486.899,253 2.959,254 166.413,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 167,265 1497,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.045,275 4.146,276 3.862,277 6.237,278 3.963,279 2.978,280 3.476,281 2.003,282 9.347,283 2.924,284 4.08,285 3.817,286 6.165,287 3.888,288 2.901,289 3.435,290 1.987,291 9.099,292 2.854,293 4.023,294 3.806,295 6.088,296 3.804,297 2.816,298 3.269,299 1.973,300 8.799,301 2.773,302 3.971,303 3.728,304 6.014,305 3.756,306 2.765,307 3.198,308 1.946,309 8.603,310 2.732,311 3.891,312 3.692,313 5.915,314 3.638,315 2.644,316 3.143,317 1.929,318 8.221,319 2.623,320 3.869,321 3.629,322 5.826,323 3.522,324 2.536,325 3.059,326 1.909,327 7.891,328 2.504,329 3.737,330 3.575,331 5.373,332 3.514,333 2.515,334 2.914,335 1.898,336 7,337 2.496,338 3.689,339 3.51,340 5.286,341 3.372,342 2.369,343 2.9,344 1.886,345 6.71,346 2.371,347 3.658,348 3.506,349 5.087,350 3.246,351 2.235,352 2.858,353 1.886,354 5.928,355 2.251,356 3.554,357 3.494,358 5.001,359 3.218,360 2.232,361 2.735,362 1.886,363 5.754,364 2.222,365 3.525,366 3.474,367 4.883,368 3.204,369 2.197,370 2.689,371 1.2,372 5.641,373 2.218,374 3.519,375 3.243,376 4.685,377 3.134,378 2.174,379 2.673,380 0.634,381 5.21,382 2.119,383 3.459,384 2.817,385 4.663,386 3.105,387 2.076,388 2.64,389 0.404,390 5.167,391 2.021,392 3.382,393 2.815,394 4.656,395 3.007,396 2.031,397 2.612,398 0.346,399 5.155,400 1.968,401 34.267,402 0.463,403 2.063,404 0.028,405 78,406 1.054,407 30.5,408 0.412,409 47.5,410 0.642,411 112.336,412 1.518,413 86.333,414 0.626,415 105.02,416 1.419,417 15.111,418 0.204,419 20.084,420 0.271,421 0.175,423 0.333,425 0.806,426 1.361,427 0.753,428 1.011,429 0.665,430 0.978,431 0.531,432 1.343,433 0.925,434 1.266,435 0.498,436 1.186,437 1.054,438 0.975,439 1.124,440 1.049,441 1.066,442 1.06,443 1.274,444 1.09,445 1.028,446 1.012,447 1.249,448 0.966,449 0.89,450 1.084,451 0.878,452 1,453 0.895,454 0.966,455 0.975,456 0.973,457 1.008,458 1.01,459 0.974,460 0.98,461 1.229,462 1.057,463 1.186,464 1.108,465 1.22,466 0.981,467 0.935,468 1.078,469 1.085,470 1.141,471 0.959,472 1.054,473 17,474 1.374,475 8,476 4.493,477 4.983,478 2.983,479 2.407,480 2.462,481 1.691,482 1.443,483 117400,484 388662,485 1.935,486 46.4,488 26,491 18,492 6,493 14,495 1.946,496 1.776,497 4.227,498 12.347,500 244.57,501 1.772,502 3.663,503 5.016,504 6.074,505 6.509,506 6.63,507 3.629,508 5.804,509 6.181,510 4.45,511 12018.9,512 11.181,513 318629,516 980.976,517 1.527,518 6.115,519 0.221,520 0.007,521 0.078,522 0.041,523 0.041,524 0.021,525 0.015,526 0.014,527 0.009,528 0.008,529 0.454,530 0.17,531 0.5,532 1.69,533 490.427,534 -0.14,535 0.005,536 0.071,537 0.131,538 -0.074,539 0.076,540 0.158,541 -0.119,542 -0.024,543 -0.146,544 0.106,545 -0.129,546 -0.077,547 0.092,548 -0.123,549 -0.021,550 -0.128,551 -0.068,552 -0.2,553 -0.062,554 -0.026,555 -0.007,556 -0.17,557 0.014,558 0.165,559 -0.039,560 0.101,561 0.007,562 0.175,563 0.019,564 0.007,565 0.083,566 0.022,567 0.043,568 -0.014,569 0.022,570 -0.157,571 -0.007,572 -0.05,573 0.014,574 -0.124,575 0.025,576 0.096,577 -0.01,578 -0.006,579 -0.036,580 0.094,581 -0.044,582 3.105,583 7.561,584 0.5,585 130.462,586 1.019,587 1.143,588 -3.662,589 13.408,590 0.637,591 4.357,592 4.644,593 4.804,594 4.997,595 5.187,596 5.231,597 5.347,598 5.497,599 5.553,600 5.617,601 11.969,602 0.612,603 1069.38,604 4.357,605 5.889,606 6.696,607 7.547,608 8.379,609 9.233,610 10.078,611 10.936,612 11.788,613 12.649,614 10.1,615 2,620 11,621 1,624 9,627 3,628 12,631 1,634 138,635 24,636 2,637 77,638 141,639 46,640 12,641 3,642 9,644 4,645 4,647 1,652 9,654 17,655 24,656 22,658 12,660 11,661 1,662 12,665 64,666 26,667 18,668 28,669 2,670 14,672 1,673 12,676 1,679 1,680 2,683 3,684 7,685 1,686 2,692 4,693 1,694 2,698 74,699 5,701 1,702 15,703 7,705 2,706 7,707 1,711 8.7,713 1,714 11,717 41.667,718 22.767,719 16.583,720 7.715,721 1.153,722 1.126,723 0.92,724 26.118,725 10.297,726 4.564,727 4.99,728 5.247,729 5.557,730 5.95,731 5.862,732 6.007,733 6.301,734 6.407,735 6.454,736 0.857,737 110,738 28.36,739 12.78,740 8.257,741 50.547,742 40.839,743 2.757,744 204,748 541.471,749 239.133,750 310.471,752 319.278,754 60.363,755 178.769,756 860.748,757 310.471,759 327.147,760 85.286,761 371.029,762 23.157,763 1.899,764 601.834,766 541.471,767 489.24,768 319.278,769 60.363,770 376.675,771 484.073,773 343.933,774 145.308,776 60.363,777 541.471,778 629.749,779 239.133,781 541.471,782 153.847,783 88.411,784 126.075,785 500.549,786 541.471,787 629.749,788 239.133,789 0.574,790 0.309,791 0.157,792 0.092,793 35,794 23,795 0.135,796 19,798 1,799 6.642,800 913.501,802 37,803 449.5,804 2,806 61.25,807 31.555,808 21.836,810 629.749,811 14.423,814 1.086,815 333.245,816 1410.35,817 95,819 147.793,820 3.879,821 -9.624,822 140.596,823 157.709,824 0.249,825 0.515,826 0.706,827 0.854,828 0.916,829 0.933,830 5.814,831 2.515,832 6.676,833 7.891,834 5.333,835 5.68,836 4.305,837 7.426,838 5.294,839 6.972,840 2.369,841 8.206,842 7,843 4.934,844 5.453,845 3.814,846 8.231,847 4.91,848 8.243,849 2.235,850 9.834,851 6.71,852 6.874,853 7.569,854 5.354,855 11.289,856 6.796,857 9.536,858 2.232,859 11.519,860 5.928,861 7.245,862 8.056,863 5.452,864 12.915,865 7.179,866 10.854,867 2.197,868 13.241,869 5.754,870 8.677,871 9.709,872 6.55,873 15.505,874 8.562,875 12.189,876 2.174,877 14.991,878 5.641,879 9.405,880 10.499,881 6.909,882 17.495,883 9.289,884 13.536,885 2.076,886 16.76,887 5.21,888 10.633,889 11.978,890 7.808,891 19.917,892 10.476,893 3.158,894 2.031,895 18.546,896 5.167,897 11.542,898 12.919,899 8.305,900 22.082,901 11.37,902 2.978,903 10.878,904 20.344,905 5.155,906 12.685,907 14.321,908 9.102,909 24.445,910 12.477,911 2.901,912 9.347,913 22.153,914 3.626,915 13.687,916 15.35,917 9.675,918 26.701,919 13.456,920 2.816,921 9.099,922 23.97,923 3.476,924 14.797,925 16.71,926 10.416,927 29.048,928 14.533,929 2.765,930 8.799,931 25.795,932 3.435,933 15.848,934 17.798,935 11.032,936 31.353,937 15.554,938 2.644,939 8.603,940 27.627,941 3.269,942 16.95,943 19.133,944 11.743,945 33.702,946 16.622,947 2.536,948 8.221,949 29.464,950 3.198,951 18.027,952 20.263,953 12.384,954 36.035,955 17.668,956 116164,957 211565,958 48.835,959 87.864,960 114.307,961 122.947,962 116.84,963 112.506,964 112.5,965 133.964,966 49.775,967 308.068,968 110.37,969 5.278,970 5.998,971 6.534,972 5.22,973 5.158,974 6.626,975 3.536,976 18.265,977 5.045,978 53.49,979 1.485,980 1.597,981 1.517,982 1.461,983 1.461,984 1.74,985 0.646,986 4.001,987 1.433,988 4.024,989 4.066,990 4.171,991 3.911,992 7.456,993 3.909,994 3.924,995 3.966,996 3.928,997 3.848,998 7.436,999 3.842,1000 3.911,1001 3.94,1002 3.849,1003 3.777,1004 7.435,1005 3.784,1006 3.838,1007 3.882,1008 3.837,1009 3.663,1010 7.433,1011 3.678,1012 3.793,1013 3.85,1014 3.763,1015 3.624,1016 7.43,1017 3.625,1018 3.739,1019 3.782,1020 3.703,1021 3.597,1022 7.429,1023 3.572,1024 3.718,1025 3.76,1026 3.664,1027 3.552,1028 7.427,1029 3.56,1030 3.638,1031 3.711,1032 3.608,1033 3.475,1034 7.425,1035 3.455,1036 0.056,1037 0.052,1038 0.087,1039 0.054,1040 0.041,1041 4.278,1042 0.047,1043 3.998,1044 0.026,1045 6.732,1046 0.141,1047 4.124,1048 0.04,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.045,1054 1.931,1055 1.903,1056 2.059,1057 2.046,1058 1.291,1059 2.047,1060 1.914,1061 1.888,1062 2.035,1063 2.008,1064 1.265,1065 2.017,1066 1.779,1067 1.735,1068 1.965,1069 1.99,1070 1.235,1071 1.977,1072 1.767,1073 1.717,1074 1.937,1075 1.975,1076 1.214,1077 1.965,1078 1.699,1079 1.657,1080 1.858,1081 1.909,1082 1.21,1083 1.898,1084 1.66,1085 1.622,1086 1.855,1087 1.863,1088 1.154,1089 1.853,1090 1.617,1091 1.568,1092 1.814,1093 1.84,1094 1.091,1095 1.826,1096 1.588,1097 1.534,1098 1.769,1099 1.825,1100 1.058,1101 1.803,1102 5.043,1104 6.34,1105 2.398,1106 7.79,1107 4.595,1108 9.315,1109 6.605,1110 10.885,1114 27,1115 9.896,1116 -1.827,1117 17.887,1119 2.187,1120 -9.906,1121 1.206,1123 84.421,1124 244.57,1125 505.442,1126 692.148,1127 838.182,1128 898.221,1129 914.976,1130 543.107,1131 9.144,1132 437.91,1133 488.51,1134 37,1135 13.201,1136 4.644,1137 4.248,1138 197.907,1139 549,1140 601,1141 0.173,1142 535.088,1143 982.1,1144 1297.38,1145 165233,1147 54.321,1148 0.734,1149 0.568,1150 55.028,1151 42.013,1152 35.195,1153 0.457,1154 0.338,1155 23.337,1156 32.646,1157 22.837,1158 18.758,1159 36.32,1160 26.05,1161 32.051,1162 0.311,1163 0.194,1164 33.256,1165 19.968,1166 23.475,1167 0.194,1168 0.115,1169 24.643,1170 13.908,1171 18.105,1172 0.123,1173 0.068,1174 19.379,1175 9.928,1176 14.807,1177 0.083,1178 0.039,1179 16.135,1180 6.891,1181 0.273,1182 233.439,1183 0.143,1184 57.298,1185 0.471,1186 360,1187 1277.14,1188 448.158,1189 1245.82,1190 1588.9,1191 1144,1192 404,1193 1037.29,1194 485.949,1195 1059.94,1196 1515.02,1197 995,1198 9.699} {0 CHEMBL385068,1 1.749,2 19.603,3 -2.566,4 6.584,5 269.75,6 7.593,7 0.158,8 5.009,9 5.147,10 4.605,11 4.472,12 6.176,13 4.443,14 5.556,15 5.737,16 4.91,17 4.861,18 6.729,19 4.797,20 5.919,21 6.14,22 5.039,23 5.044,24 7.068,25 4.963,26 6.006,27 6.223,28 5.17,29 5.096,30 7.192,31 5.043,32 6.083,33 6.29,34 5.345,35 5.197,36 7.496,37 5.146,38 6.21,39 6.428,40 5.406,41 5.344,42 7.422,43 5.267,44 6.324,45 6.535,46 5.508,47 5.446,48 7.534,49 5.373,50 6.389,51 6.594,52 5.612,53 5.527,54 7.751,55 5.448,56 0.38,57 2.113,58 33.38,59 12.192,60 65.053,61 16.005,62 1.064,63 3.19,64 59.282,65 20.791,66 150.983,67 28.928,68 2.21,69 3.908,70 95.621,71 27.083,72 311.573,73 37.947,74 2.23,75 4.136,76 105.245,77 27.277,78 357.816,79 39.051,80 3.193,81 4.562,82 111.342,83 30.308,84 583.39,85 43.379,86 2.97,87 5.232,88 128.856,89 36.936,90 452.894,91 50.707,92 3.201,93 5.768,94 153.326,95 41.306,96 514.602,97 55.495,98 4.121,99 6.256,100 159.011,101 44.678,102 718.842,103 61.182,104 308,105 101,106 0.239,107 0.503,108 0.695,109 0.829,110 0.892,111 0.907,112 4.306,113 1.031,114 2.11,115 1.85,116 1.45,117 33.1,119 10,123 6,124 7,126 9,127 2,128 1,134 10,135 1,136 5,137 5,138 5,139 15,140 1,141 5,142 4,143 11,144 1,145 10,146 2,147 14,148 2,149 1,150 1,151 7,153 9,154 6,155 13,156 1,157 9,158 1,160 12,162 1,163 1,164 12,165 1,166 2,167 2,168 10,169 10,170 2,171 10,172 2,173 17,174 2,175 5,176 2,177 3,178 16,179 2,180 11,181 6,182 13,183 2,184 9,185 1,186 1,187 19,188 1,189 2,190 4,191 9,192 3,193 12,194 2,196 10,197 13,198 6,199 14,200 4,201 14,202 2,203 17,204 2,206 5,207 13,208 5,209 15,210 5,211 14,212 2,213 20,214 2,215 1,216 14821,217 47.887,218 47.887,219 47.887,220 47.887,221 47.887,222 44.515,223 51.42,224 29.046,225 48.553,226 37.459,227 37.459,228 37.459,229 37.459,230 37.459,231 32.098,232 43.54,233 13.851,234 38.407,235 5.37,236 3.438,237 2.039,238 1.056,239 0.595,240 0.489,241 4.987,245 2941,246 6.442,249 217.743,250 472.746,253 2.731,254 158.199,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 164,265 1431,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.045,275 4.145,276 3.861,277 6.237,278 3.962,279 2.977,280 3.476,281 2.003,282 9.346,283 2.923,284 4.079,285 3.817,286 6.165,287 3.887,288 2.901,289 3.435,290 1.987,291 9.098,292 2.854,293 4.022,294 3.806,295 6.088,296 3.803,297 2.815,298 3.268,299 1.973,300 8.798,301 2.772,302 3.97,303 3.728,304 6.014,305 3.756,306 2.765,307 3.198,308 1.946,309 8.602,310 2.732,311 3.891,312 3.692,313 5.915,314 3.633,315 2.64,316 3.143,317 1.929,318 8.219,319 2.618,320 3.866,321 3.628,322 5.826,323 3.522,324 2.536,325 3.058,326 1.909,327 7.888,328 2.502,329 3.737,330 3.573,331 5.373,332 3.512,333 2.513,334 2.914,335 1.898,336 7,337 2.496,338 3.686,339 3.507,340 5.286,341 3.369,342 2.366,343 2.9,344 1.886,345 6.709,346 2.367,347 3.655,348 3.494,349 5.086,350 3.243,351 2.233,352 2.852,353 1.886,354 5.928,355 2.248,356 3.552,357 3.474,358 5.001,359 3.215,360 2.225,361 2.734,362 1.2,363 5.753,364 2.218,365 3.52,366 3.243,367 4.883,368 3.136,369 2.202,370 2.673,371 0.634,372 5.641,373 2.12,374 3.46,375 2.818,376 4.682,377 3.106,378 2.077,379 2.641,380 0.404,381 5.193,382 2.022,383 3.382,384 2.815,385 4.659,386 3.007,387 2.031,388 2.613,389 0.346,390 5.182,391 1.968,392 3.108,393 2.733,394 4.642,395 2.896,396 1.918,397 2.121,398 0.325,399 4.957,400 1.855,401 33.933,402 0.465,403 1.918,404 0.026,405 75.75,406 1.038,407 29,408 0.397,409 46.75,410 0.64,411 112.324,412 1.539,413 85.467,414 0.615,415 100.659,416 1.379,417 14.535,418 0.199,419 20.305,420 0.278,421 0.167,423 0.321,425 0.817,426 1.371,427 0.769,428 1.021,429 0.672,430 0.994,431 0.549,432 1.342,433 0.942,434 1.263,435 0.512,436 1.189,437 1.021,438 0.971,439 1.093,440 1.041,441 1.036,442 1.04,443 1.295,444 1.091,445 1.018,446 1.01,447 1.28,448 0.958,449 0.916,450 1.087,451 0.884,452 0.999,453 0.919,454 0.966,455 1.031,456 0.974,457 1.022,458 1.007,459 1.035,460 0.98,461 1.285,462 1.061,463 1.195,464 1.109,465 1.29,466 0.985,467 0.94,468 1.082,469 1.089,470 1.142,471 0.962,472 1.059,473 16,474 1.262,475 7.778,476 4.493,477 4.903,478 2.872,479 2.366,480 2.368,481 1.617,482 1.363,483 111577,484 355838,485 1.941,486 47.5,488 28,491 18,492 4,493 16,495 1.944,496 1.788,497 4.17,498 12.379,500 243.162,501 1.749,502 3.681,503 5.08,504 6.063,505 6.524,506 6.63,507 3.513,508 5.916,509 6.162,510 4.393,511 11544.4,512 11.15,513 301977,516 989.533,517 1.51,518 6.099,519 0.211,520 0.007,521 0.077,522 0.041,523 0.04,524 0.02,525 0.015,526 0.014,527 0.009,528 0.007,529 0.442,530 0.17,531 0.5,532 1.667,533 481.088,534 -0.138,535 0.003,536 0.074,537 0.128,538 -0.075,539 0.073,540 0.147,541 -0.115,542 -0.03,543 -0.141,544 0.092,545 -0.127,546 -0.045,547 0.093,548 -0.089,549 -0.013,550 -0.105,551 -0.044,552 -0.19,553 -0.062,554 -0.011,555 -0.005,556 -0.162,557 0.022,558 0.173,559 -0.038,560 0.101,561 0.007,562 0.191,563 0.019,564 -0.019,565 0.085,566 0.013,567 0.044,568 -0.04,569 0.02,570 -0.174,571 -0.008,572 -0.054,573 0.013,574 -0.144,575 0.021,576 0.108,577 -0.011,578 -0.006,579 -0.038,580 0.112,581 -0.047,582 3.037,583 7.541,584 0.507,585 125.428,586 1.015,587 1.143,588 -3.34,589 11.157,590 0.634,591 4.344,592 4.625,593 4.796,594 4.99,595 5.176,596 5.215,597 5.333,598 5.481,599 5.537,600 5.598,601 11.629,602 0.606,603 1055.4,604 4.344,605 5.872,606 6.681,607 7.531,608 8.364,609 9.219,610 10.064,611 10.922,612 11.776,613 12.637,614 10.1,615 3,620 10,621 1,624 9,627 3,628 12,631 1,634 139,635 23,636 2,637 76,638 142,639 46,640 12,641 3,642 9,644 4,645 4,647 1,649 1,652 9,654 17,655 23,656 23,658 11,660 10,661 1,662 11,665 66,666 25,667 18,668 27,669 2,670 14,672 1,673 11,676 1,679 1,680 2,683 2,684 7,685 1,686 3,692 4,693 1,694 2,698 73,699 5,701 1,702 16,703 7,705 2,706 7,707 1,711 7.9,713 1,714 10,717 40.833,718 22.85,719 16.5,720 7.882,721 1.13,722 1.124,723 0.921,724 26.297,725 10.229,726 4.543,727 4.963,728 5.236,729 5.549,730 5.94,731 5.839,732 5.987,733 6.286,734 6.391,735 6.429,736 0.786,737 109,738 27.936,739 12.497,740 8.196,741 50.211,742 40.602,743 2.696,744 196.833,748 565.013,749 236.534,750 310.471,752 294.133,754 60.363,755 176.17,756 859.146,757 310.471,759 329.253,760 85.286,761 341.179,762 23.157,763 1.899,764 625.376,766 565.013,767 486.642,768 294.133,769 60.363,770 376.675,771 482.47,773 346.039,774 140.603,776 60.363,777 565.013,778 604.604,779 236.534,781 565.013,782 151.248,783 88.411,784 126.075,785 475.404,786 565.013,787 604.604,788 236.534,789 0.57,790 0.311,791 0.16,792 0.093,793 34,794 22,795 0.134,796 19,798 1,799 6.576,800 899.012,802 37,803 441.857,804 2,806 60.58,807 31.688,808 21.42,810 604.604,811 14.652,814 1.166,815 333.245,816 1406.15,817 93,819 135.854,820 3.945,821 -8.254,822 141.152,823 158.915,824 0.246,825 0.517,826 0.714,827 0.852,828 0.916,829 0.931,830 5.79,831 2.513,832 6.655,833 7.888,834 5.313,835 5.652,836 4.224,837 7.407,838 5.27,839 6.942,840 2.366,841 8.185,842 7,843 4.89,844 5.4,845 3.724,846 8.212,847 4.861,848 8.21,849 2.233,850 9.814,851 6.709,852 6.853,853 7.54,854 5.274,855 11.279,856 6.77,857 9.501,858 2.225,859 11.5,860 5.928,861 7.216,862 8.018,863 5.369,864 12.909,865 7.143,866 10.82,867 2.202,868 13.226,869 5.753,870 8.659,871 9.684,872 6.472,873 15.501,874 8.537,875 12.156,876 2.077,877 14.978,878 5.641,879 9.387,880 10.472,881 6.831,882 17.493,883 9.264,884 13.505,885 2.031,886 16.75,887 5.193,888 10.619,889 11.959,890 7.735,891 19.915,892 10.456,893 3.158,894 1.918,895 18.537,896 5.182,897 11.53,898 12.901,899 8.233,900 22.081,901 11.353,902 2.977,903 10.878,904 20.337,905 4.957,906 12.675,907 14.308,908 9.033,909 24.444,910 12.463,911 2.901,912 9.346,913 22.148,914 3.626,915 13.679,916 15.337,917 9.607,918 26.7,919 13.444,920 2.815,921 9.098,922 23.966,923 3.476,924 14.791,925 16.701,926 10.352,927 29.048,928 14.522,929 2.765,930 8.798,931 25.792,932 3.435,933 15.843,934 17.79,935 10.97,936 31.352,937 15.545,938 2.64,939 8.602,940 27.624,941 3.268,942 16.945,943 19.126,944 11.683,945 33.701,946 16.614,947 2.536,948 8.219,949 29.462,950 3.198,951 18.023,952 20.258,953 12.326,954 36.034,955 17.66,956 110415,957 197401,958 48.43,959 88.171,960 112.01,961 120.353,962 115.092,963 110.426,964 110.44,965 130.81,966 46.003,967 301.518,968 108.117,969 5.278,970 5.998,971 6.593,972 5.22,973 5.158,974 6.626,975 3.536,976 18.265,977 5.045,978 51.367,979 1.474,980 1.584,981 1.514,982 1.453,983 1.453,984 1.721,985 0.605,986 3.967,987 1.423,988 4.024,989 4.067,990 4.171,991 3.911,992 7.454,993 3.909,994 3.924,995 3.966,996 3.928,997 3.848,998 7.436,999 3.842,1000 3.911,1001 3.941,1002 3.849,1003 3.776,1004 7.433,1005 3.783,1006 3.839,1007 3.886,1008 3.837,1009 3.666,1010 7.43,1011 3.68,1012 3.787,1013 3.842,1014 3.761,1015 3.621,1016 7.429,1017 3.617,1018 3.739,1019 3.788,1020 3.698,1021 3.594,1022 7.427,1023 3.572,1024 3.721,1025 3.768,1026 3.662,1027 3.553,1028 7.425,1029 3.561,1030 3.639,1031 3.698,1032 3.609,1033 3.485,1034 7.423,1035 3.466,1036 0.056,1037 0.053,1038 0.089,1039 0.054,1040 0.042,1041 4.278,1042 0.048,1043 3.998,1044 0.027,1045 6.732,1046 0.143,1047 4.124,1048 0.04,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.045,1054 1.931,1055 1.903,1056 2.059,1057 2.046,1058 1.295,1059 2.048,1060 1.914,1061 1.888,1062 2.035,1063 2.009,1064 1.287,1065 2.017,1066 1.783,1067 1.736,1068 1.968,1069 1.99,1070 1.252,1071 1.979,1072 1.766,1073 1.715,1074 1.964,1075 1.975,1076 1.217,1077 1.97,1078 1.706,1079 1.66,1080 1.865,1081 1.917,1082 1.214,1083 1.909,1084 1.661,1085 1.622,1086 1.856,1087 1.864,1088 1.157,1089 1.853,1090 1.618,1091 1.569,1092 1.814,1093 1.842,1094 1.094,1095 1.827,1096 1.593,1097 1.537,1098 1.773,1099 1.804,1100 1.06,1101 1.804,1102 5.03,1104 6.323,1105 2.398,1106 7.772,1107 4.595,1108 9.298,1109 6.605,1110 10.87,1114 27.465,1115 9.915,1116 -0.293,1117 18.281,1119 2.246,1120 -9.386,1121 1.244,1123 84.233,1124 243.162,1125 511.605,1126 706.177,1127 842.739,1128 906.778,1129 921.533,1130 518.737,1131 9.099,1132 420.84,1133 471.44,1134 37,1135 13.188,1136 4.585,1137 4.17,1138 193.174,1139 539,1140 564,1141 0.176,1142 534.019,1143 975.95,1144 1294.77,1145 154374,1147 53.45,1148 0.732,1149 0.573,1150 54.158,1151 41.812,1152 34.84,1153 0.458,1154 0.344,1155 23.409,1156 32.358,1157 22.907,1158 18.846,1159 35.965,1160 26.112,1161 31.222,1162 0.309,1163 0.197,1164 32.427,1165 19.894,1166 23.289,1167 0.194,1168 0.116,1169 24.456,1170 13.926,1171 18.023,1172 0.123,1173 0.068,1174 19.298,1175 9.963,1176 14.693,1177 0.083,1178 0.039,1179 16.021,1180 6.909,1181 0.276,1182 230.792,1183 0.144,1184 56.58,1185 0.482,1186 354,1187 1217.41,1188 439.611,1189 1191.33,1190 1525.86,1191 1096,1192 398,1193 999.231,1194 478.454,1195 1022.7,1196 1465.28,1197 961,1198 9.222} {0 CHEMBL385739,1 1.76,2 19.542,3 -3.146,4 9.897,5 265.106,6 7.657,7 0.16,8 4.99,9 5.127,10 4.593,11 4.451,12 6.165,13 4.425,14 5.534,15 5.713,16 4.9,17 4.84,18 6.718,19 4.779,20 5.896,21 6.114,22 5.03,23 5.024,24 7.057,25 4.946,26 5.986,27 6.199,28 5.164,29 5.076,30 7.186,31 5.027,32 6.064,33 6.268,34 5.335,35 5.178,36 7.498,37 5.129,38 6.189,39 6.406,40 5.388,41 5.324,42 7.402,43 5.247,44 6.302,45 6.513,46 5.492,47 5.424,48 7.508,49 5.351,50 6.365,51 6.57,52 5.599,53 5.501,54 7.746,55 5.425,56 0.393,57 2.074,58 32.425,59 11.861,60 66.438,61 15.469,62 1.074,63 3.128,64 57.578,65 20.228,66 150.899,67 28.018,68 2.221,69 3.832,70 93.216,71 26.362,72 312.929,73 36.706,74 2.266,75 4.06,76 102.807,77 26.668,78 360.945,79 37.845,80 3.243,81 4.474,82 108.869,83 29.63,84 592.589,85 42.178,86 2.963,87 5.123,88 126.068,89 36.251,90 455.159,91 49.555,92 3.182,93 5.652,94 150.068,95 40.434,96 505.37,97 54.034,98 4.136,99 6.11,100 155.319,101 43.509,102 723.993,103 59.406,104 303,105 100,106 0.242,107 0.508,108 0.702,109 0.838,110 0.893,111 0.906,112 4.292,113 1.024,114 2.27,115 2.01,116 1.59,117 33.1,119 9,123 6,124 7,126 9,127 2,128 1,134 10,135 1,136 5,137 5,138 5,139 14,140 1,141 5,142 4,143 11,144 1,145 10,146 2,147 14,148 2,149 1,150 1,151 7,153 9,154 6,155 11,156 1,157 9,160 11,162 1,163 2,164 11,165 2,166 2,167 2,168 10,169 9,170 3,171 11,172 2,173 17,174 2,175 5,176 2,177 3,178 15,179 2,180 11,181 5,182 13,183 1,184 8,185 1,186 1,187 18,188 1,189 2,190 4,191 9,192 3,193 11,194 2,196 10,197 12,198 6,199 14,200 5,201 14,202 4,203 17,204 2,205 1,206 5,207 13,208 5,209 15,210 4,211 12,213 20,214 1,216 13980,217 47.18,218 47.18,219 47.18,220 47.18,221 47.18,222 43.808,223 51.42,224 28.522,225 47.846,226 36.959,227 36.959,228 36.959,229 36.959,230 36.959,231 31.598,232 45.061,233 13.556,234 37.905,235 5.327,236 3.387,237 1.976,238 0.98,239 0.579,240 0.485,241 4.973,245 2894,246 6.364,249 213.489,250 463.919,253 2.708,254 157.062,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 162,265 1407,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.044,275 4.145,276 3.861,277 6.237,278 3.962,279 2.977,280 3.476,281 2.003,282 9.346,283 2.923,284 4.079,285 3.817,286 6.165,287 3.887,288 2.901,289 3.435,290 1.987,291 9.098,292 2.854,293 4.022,294 3.806,295 6.087,296 3.802,297 2.815,298 3.268,299 1.973,300 8.796,301 2.771,302 3.97,303 3.728,304 6.014,305 3.755,306 2.764,307 3.198,308 1.946,309 8.601,310 2.731,311 3.891,312 3.692,313 5.915,314 3.633,315 2.64,316 3.142,317 1.929,318 8.219,319 2.617,320 3.866,321 3.628,322 5.826,323 3.522,324 2.536,325 3.058,326 1.909,327 7.888,328 2.502,329 3.736,330 3.573,331 5.373,332 3.511,333 2.513,334 2.914,335 1.898,336 7,337 2.496,338 3.686,339 3.507,340 5.286,341 3.369,342 2.366,343 2.9,344 1.886,345 6.709,346 2.367,347 3.655,348 3.494,349 5.086,350 3.243,351 2.233,352 2.852,353 1.886,354 5.928,355 2.248,356 3.552,357 3.474,358 5.001,359 3.214,360 2.225,361 2.734,362 1.2,363 5.753,364 2.217,365 3.52,366 3.243,367 4.883,368 3.136,369 2.201,370 2.673,371 0.634,372 5.641,373 2.12,374 3.46,375 2.818,376 4.682,377 3.106,378 2.077,379 2.641,380 0.404,381 5.19,382 2.022,383 3.382,384 2.815,385 4.659,386 3.007,387 2.031,388 2.613,389 0.346,390 5.182,391 1.968,392 3.108,393 2.733,394 4.642,395 2.896,396 1.918,397 2.121,398 0.325,399 4.957,400 1.855,401 33.433,402 0.464,403 1.918,404 0.027,405 75.25,406 1.045,407 29,408 0.403,409 46.25,410 0.642,411 109.374,412 1.519,413 84.167,414 0.619,415 99.903,416 1.388,417 14.535,418 0.202,419 19.805,420 0.275,421 0.169,423 0.326,425 0.82,426 1.368,427 0.762,428 1.012,429 0.675,430 0.985,431 0.552,432 1.339,433 0.939,434 1.258,435 0.515,436 1.183,437 1.03,438 0.971,439 1.1,440 1.043,441 1.045,442 1.043,443 1.297,444 1.088,445 1.022,446 1.013,447 1.283,448 0.962,449 0.911,450 1.08,451 0.889,452 1,453 0.913,454 0.971,455 1.021,456 0.981,457 1.022,458 1.011,459 1.027,460 0.984,461 1.267,462 1.056,463 1.195,464 1.111,465 1.274,466 0.984,467 0.918,468 1.082,469 1.085,470 1.144,471 0.933,472 1.058,473 16,474 1.262,475 7.778,476 4.493,477 4.903,478 2.816,479 2.325,480 2.368,481 1.567,482 1.319,483 107374,484 347895,485 1.941,486 47.1,488 28,491 18,492 4,493 12,494 2,495 1.941,496 1.785,497 4.154,498 12.426,500 239.405,501 1.76,502 3.7,503 5.111,504 6.107,505 6.508,506 6.602,507 3.507,508 5.771,509 6.142,510 4.376,511 11184.4,512 11.11,513 289246,516 963.895,517 1.516,518 6.078,519 0.213,520 0.007,521 0.078,522 0.042,523 0.041,524 0.02,525 0.015,526 0.014,527 0.009,528 0.007,529 0.446,530 0.17,531 0.5,532 1.633,533 472.644,534 -0.142,535 0.003,536 0.074,537 0.131,538 -0.078,539 0.076,540 0.145,541 -0.112,542 -0.03,543 -0.139,544 0.091,545 -0.125,546 -0.053,547 0.095,548 -0.097,549 -0.015,550 -0.112,551 -0.049,552 -0.192,553 -0.058,554 -0.016,555 -0.008,556 -0.164,557 0.016,558 0.177,559 -0.032,560 0.094,561 0.006,562 0.199,563 0.011,564 -0.022,565 0.073,566 0.012,567 0.043,568 -0.042,569 0.019,570 -0.176,571 -0.004,572 -0.054,573 0.012,574 -0.151,575 0.023,576 0.12,577 -0.013,579 -0.039,580 0.128,581 -0.046,582 3.038,583 7.491,584 0.514,585 121.829,586 1.017,587 1.143,588 -3.502,589 12.266,590 0.635,591 4.331,592 4.615,593 4.787,594 4.984,595 5.165,596 5.198,597 5.318,598 5.468,599 5.517,600 5.583,601 11.488,602 0.608,603 1041.37,604 4.331,605 5.861,606 6.671,607 7.522,608 8.356,609 9.211,610 10.058,611 10.916,612 11.769,613 12.631,614 10.3,615 3,620 10,621 1,624 9,627 3,628 12,631 1,634 136,635 23,636 2,637 75,638 139,639 45,640 12,641 3,642 9,644 4,645 4,647 1,649 1,652 9,654 16,655 23,656 22,658 11,660 10,661 1,662 11,665 64,666 25,667 18,668 27,669 2,670 14,672 1,673 11,676 1,679 1,680 2,683 2,684 7,685 1,686 3,692 4,693 1,694 2,698 72,699 5,701 1,702 15,703 7,705 2,706 7,707 1,711 8.1,713 1,714 10,717 40.333,718 22.35,719 16.25,720 7.632,721 1.14,722 1.126,723 0.921,724 25.587,725 10.208,726 4.533,727 4.956,728 5.231,729 5.545,730 5.934,731 5.828,732 5.977,733 6.281,734 6.381,735 6.421,736 0.786,737 108,738 27.55,739 12.351,740 8.213,741 49.395,742 39.935,743 2.713,744 195.333,748 541.471,749 233.999,750 310.471,752 294.133,754 60.363,755 173.636,756 835.603,757 310.471,759 326.718,760 85.286,761 341.179,762 23.157,763 1.899,764 601.834,766 541.471,767 484.107,768 294.133,769 60.363,770 376.675,771 458.928,773 343.504,774 140.603,776 60.363,777 541.471,778 604.604,779 233.999,781 541.471,782 148.713,783 88.411,784 126.075,785 475.404,786 541.471,787 604.604,788 233.999,789 0.571,790 0.313,791 0.162,792 0.094,793 34,794 22,795 0.129,796 18,798 1,799 6.513,800 883.526,802 37,803 434.235,804 2,806 59.587,807 30.917,808 20.822,810 604.604,811 14.64,814 1.163,815 333.245,816 1380.07,817 92,819 135.399,820 3.941,821 -8.341,822 138.268,823 155.5,824 0.248,825 0.522,826 0.721,827 0.862,828 0.918,829 0.932,830 5.781,831 2.513,832 6.648,833 7.888,834 5.303,835 5.645,836 4.224,837 7.402,838 5.26,839 6.935,840 2.366,841 8.179,842 7,843 4.89,844 5.4,845 3.724,846 8.212,847 4.861,848 8.205,849 2.233,850 9.81,851 6.709,852 6.847,853 7.537,854 5.274,855 11.277,856 6.763,857 9.498,858 2.225,859 11.498,860 5.928,861 7.216,862 8.018,863 5.369,864 12.909,865 7.143,866 10.818,867 2.201,868 13.224,869 5.753,870 8.655,871 9.683,872 6.472,873 15.5,874 8.533,875 12.154,876 2.077,877 14.977,878 5.641,879 9.387,880 10.472,881 6.831,882 17.492,883 9.264,884 13.503,885 2.031,886 16.749,887 5.19,888 10.617,889 11.959,890 7.735,891 19.914,892 10.454,893 3.158,894 1.918,895 18.537,896 5.182,897 11.53,898 12.901,899 8.233,900 22.081,901 11.353,902 2.977,903 10.878,904 20.337,905 4.957,906 12.674,907 14.307,908 9.033,909 24.444,910 12.461,911 2.901,912 9.346,913 22.147,914 3.626,915 13.679,916 15.337,917 9.607,918 26.7,919 13.443,920 2.815,921 9.098,922 23.966,923 3.476,924 14.79,925 16.701,926 10.352,927 29.047,928 14.52,929 2.764,930 8.796,931 25.792,932 3.435,933 15.842,934 17.79,935 10.97,936 31.352,937 15.544,938 2.64,939 8.601,940 27.624,941 3.268,942 16.944,943 19.126,944 11.683,945 33.701,946 16.613,947 2.536,948 8.219,949 29.462,950 3.198,951 18.023,952 20.258,953 12.326,954 36.034,955 17.659,956 106206,957 191385,958 47.736,959 86.41,960 111.024,961 119.257,962 113.871,963 109.315,964 109.311,965 129.69,966 46.003,967 299.187,968 106.981,969 5.278,970 5.998,971 6.534,972 5.22,973 5.158,974 6.626,975 3.536,976 18.265,977 5.044,978 50.912,979 1.48,980 1.59,981 1.518,982 1.458,983 1.457,984 1.729,985 0.613,986 3.989,987 1.426,988 4.022,989 4.065,990 4.171,991 3.91,992 7.454,993 3.909,994 3.923,995 3.966,996 3.927,997 3.848,998 7.436,999 3.842,1000 3.911,1001 3.941,1002 3.849,1003 3.775,1004 7.433,1005 3.782,1006 3.839,1007 3.886,1008 3.837,1009 3.666,1010 7.43,1011 3.679,1012 3.777,1013 3.831,1014 3.761,1015 3.613,1016 7.429,1017 3.6,1018 3.738,1019 3.787,1020 3.694,1021 3.575,1022 7.427,1023 3.57,1024 3.721,1025 3.768,1026 3.66,1027 3.55,1028 7.425,1029 3.558,1030 3.639,1031 3.698,1032 3.609,1033 3.485,1034 7.423,1035 3.466,1036 0.057,1037 0.053,1038 0.09,1039 0.055,1040 0.042,1041 4.278,1042 0.048,1043 3.998,1044 0.027,1045 6.732,1046 0.145,1047 4.124,1048 0.041,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.044,1054 1.931,1055 1.903,1056 2.059,1057 2.046,1058 1.295,1059 2.048,1060 1.914,1061 1.888,1062 2.035,1063 2.009,1064 1.252,1065 2.017,1066 1.782,1067 1.736,1068 1.964,1069 1.988,1070 1.232,1071 1.977,1072 1.748,1073 1.699,1074 1.928,1075 1.969,1076 1.217,1077 1.956,1078 1.702,1079 1.655,1080 1.865,1081 1.915,1082 1.19,1083 1.907,1084 1.661,1085 1.622,1086 1.85,1087 1.864,1088 1.156,1089 1.853,1090 1.609,1091 1.562,1092 1.814,1093 1.84,1094 1.094,1095 1.822,1096 1.59,1097 1.533,1098 1.768,1099 1.795,1100 1.059,1101 1.8,1102 5.017,1104 6.312,1105 2.398,1106 7.763,1107 4.595,1108 9.292,1109 6.605,1110 10.865,1114 27.442,1115 9.907,1116 -0.991,1117 18.156,1119 2.238,1120 -9.45,1121 1.229,1123 82.707,1124 239.405,1125 503.248,1126 695.095,1127 830.611,1128 885.14,1129 897.895,1130 506.026,1131 9.068,1132 420.84,1133 471.44,1134 37,1135 13.182,1136 4.585,1137 4.17,1138 188.736,1139 529,1140 565,1141 0.176,1142 524.427,1143 958.65,1144 1271.36,1145 148264,1147 52.743,1148 0.733,1149 0.571,1150 53.45,1151 41.105,1152 34.34,1153 0.458,1154 0.341,1155 22.909,1156 31.858,1157 22.417,1158 18.429,1159 35.465,1160 25.612,1161 30.868,1162 0.309,1163 0.195,1164 32.073,1165 19.54,1166 23.02,1167 0.193,1168 0.115,1169 24.187,1170 13.684,1171 17.928,1172 0.124,1173 0.068,1174 19.202,1175 9.808,1176 14.549,1177 0.084,1178 0.039,1179 15.877,1180 6.765,1181 0.277,1182 227.792,1183 0.145,1184 55.974,1185 0.484,1186 350,1187 1213.41,1188 435.611,1189 1187.17,1190 1520.1,1191 1092,1192 394,1193 995.231,1194 474.454,1195 1018.54,1196 1459.53,1197 957,1198 9.721} {0 CHEMBL412742,1 1.704,2 19.444,3 -0.185,4 0.034,5 267.648,6 7.471,7 0.158,8 5.007,9 5.139,10 4.598,11 4.499,12 6.127,13 4.461,14 5.58,15 5.757,16 4.912,17 4.908,18 6.695,19 4.833,20 5.962,21 6.186,22 5.046,23 5.097,24 7.063,25 5,26 6.044,27 6.269,28 5.171,29 5.128,30 7.192,31 5.061,32 6.093,33 6.302,34 5.349,35 5.21,36 7.497,37 5.155,38 6.213,39 6.428,40 5.409,41 5.355,42 7.411,43 5.278,44 6.331,45 6.539,46 5.505,47 5.463,48 7.522,49 5.387,50 6.398,51 6.601,52 5.608,53 5.554,54 7.734,55 5.468,56 0.286,57 2.092,58 33.779,59 13.107,60 51.117,61 16.857,62 0.919,63 3.283,64 61.025,65 22.295,66 136.223,67 30.689,68 2.045,69 4.141,70 99.869,71 30.142,72 291.428,73 41.608,74 2.071,75 4.342,76 110.169,77 29.847,78 331.023,79 42.17,80 3.068,81 4.683,82 113.431,83 31.461,84 570.037,85 44.607,86 2.726,87 5.36,88 129.642,89 37.691,90 420.678,91 51.182,92 2.947,93 5.929,94 154.678,95 42.486,96 475.881,97 56.119,98 3.848,99 6.445,100 160.736,101 46.889,102 694.24,103 63.214,104 220,105 102,106 0.233,107 0.484,108 0.683,109 0.833,110 0.888,111 0.901,112 4.292,113 1.055,114 0.94,115 0.74,116 0.45,117 34.5,119 13,120 1,123 5,124 7,126 9,127 2,128 1,134 10,136 3,137 3,138 3,139 20,140 1,141 4,142 2,143 9,145 10,147 22,148 2,150 1,151 6,153 9,154 6,155 11,156 1,157 14,160 11,162 1,163 2,164 11,165 2,166 3,168 10,169 11,170 3,171 10,172 2,173 19,174 2,175 5,177 2,178 19,179 2,180 10,181 5,182 16,183 1,184 8,185 1,187 21,188 1,189 2,190 2,191 12,192 1,193 15,194 2,196 10,197 13,198 4,199 11,200 3,201 18,202 2,203 23,204 2,205 1,206 4,207 18,208 3,209 12,210 4,211 17,213 28,214 3,216 13670,217 47.628,218 47.628,219 47.628,220 47.628,221 47.628,222 44.645,223 46.118,224 28.742,225 48.149,226 37.476,227 37.476,228 37.476,229 37.476,230 37.476,231 32.598,232 40.062,233 13.681,234 38.202,235 5.414,236 3.58,237 2.125,238 1.027,239 0.624,240 0.532,241 4.981,245 2923,246 5.916,249 211.708,250 666.085,253 2.667,254 152.041,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 160.5,265 1400,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.045,275 4.148,276 3.862,277 6.246,278 3.971,279 2.986,280 3.476,281 2.003,282 9.385,283 2.933,284 4.083,285 3.817,286 6.166,287 3.892,288 2.905,289 3.435,290 1.987,291 9.109,292 2.859,293 4.022,294 3.806,295 6.093,296 3.809,297 2.822,298 3.272,299 1.973,300 8.825,301 2.779,302 3.972,303 3.728,304 6.019,305 3.756,306 2.766,307 3.198,308 1.946,309 8.614,310 2.732,311 3.892,312 3.692,313 5.92,314 3.674,315 2.678,316 3.144,317 1.929,318 8.285,319 2.662,320 3.877,321 3.629,322 5.845,323 3.527,324 2.536,325 3.061,326 1.909,327 7.959,328 2.513,329 3.737,330 3.574,331 5.373,332 3.521,333 2.532,334 2.915,335 1.898,336 7,337 2.496,338 3.696,339 3.507,340 5.3,341 3.414,342 2.413,343 2.859,344 1.886,345 6.804,346 2.411,347 3.554,348 3.494,349 5.274,350 3.337,351 2.331,352 2.734,353 1.886,354 6.637,355 2.337,356 3.52,357 3.474,358 5.085,359 3.241,360 2.228,361 2.673,362 0.634,363 5.927,364 2.245,365 3.466,366 3.243,367 5.001,368 3.214,369 2.2,370 2.641,371 0.404,372 5.748,373 2.217,374 3.442,375 2.817,376 4.883,377 3.106,378 2.077,379 2.614,380 0.346,381 5.641,382 2.119,383 3.382,384 2.733,385 4.682,386 3.007,387 2.031,388 2.467,389 0.325,390 5.19,391 1.968,392 3.106,393 2.556,394 4.642,395 2.894,396 1.915,397 2.119,398 0.23,399 4.956,400 1.853,401 33.733,402 0.469,403 1.843,404 0.026,405 73.25,406 1.017,407 27.5,408 0.382,409 45.75,410 0.635,411 114.26,412 1.587,413 83.867,414 0.603,415 93.713,416 1.302,417 13.317,418 0.185,419 21.185,420 0.294,421 0.144,423 0.323,425 0.761,426 1.336,427 0.762,428 1.03,429 0.617,430 1.01,431 0.537,432 1.366,433 0.951,434 1.258,435 0.5,436 1.198,437 0.948,438 0.988,439 1.059,440 1.048,441 0.97,442 1.049,443 1.236,444 1.076,445 0.98,446 0.986,447 1.22,448 0.939,449 0.903,450 1.089,451 0.864,452 0.97,453 0.894,454 0.935,455 1.088,456 0.998,457 1.032,458 0.992,459 1.075,460 0.965,461 1.378,462 1.055,463 1.225,464 1.082,465 1.376,466 0.974,467 0.968,468 1.104,469 1.103,470 1.134,471 0.989,472 1.062,473 15.5,474 1.225,475 7.556,476 4.431,477 4.974,478 2.823,479 2.386,480 2.318,481 1.596,482 1.36,483 109355,484 325973,485 1.978,486 48.2,487 11,488 26,491 14,492 4,493 10,494 2,495 1.941,496 1.831,497 4.149,498 8.812,500 236.919,501 1.704,502 3.539,503 4.994,504 6.092,505 6.495,506 6.587,507 3.526,508 5.743,509 6.143,510 4.36,511 11144.3,512 11.11,513 285515,516 989.533,517 1.482,518 6.086,519 0.204,520 0.007,521 0.074,522 0.04,523 0.041,524 0.02,525 0.015,526 0.014,527 0.009,528 0.007,529 0.43,530 0.17,531 0.38,532 1.356,533 471.754,534 -0.104,535 0.011,536 0.086,537 0.117,538 -0.046,539 0.067,540 0.137,541 -0.154,542 -0.042,543 -0.148,544 0.084,545 -0.135,546 -0.002,547 0.065,548 -0.065,549 -0.031,550 -0.072,551 -0.051,552 -0.142,553 -0.061,554 0.025,555 -0.002,556 -0.125,557 0.035,558 0.208,559 -0.04,560 0.128,561 0.015,562 0.225,563 0.036,564 -0.034,565 0.071,566 0.01,567 0.039,568 -0.048,569 0.019,570 -0.21,571 0.008,572 -0.076,573 0.016,574 -0.173,575 0.013,576 0.1,577 -0.03,578 -0.018,579 -0.044,580 0.108,581 -0.057,582 2.961,583 7.546,584 0.597,585 117.04,586 1.012,587 1.138,588 -2.169,589 4.706,590 0.638,591 4.344,592 4.635,593 4.828,594 5.037,595 5.231,596 5.252,597 5.375,598 5.533,599 5.602,600 5.67,601 11.346,602 0.606,603 1038.4,604 4.344,605 5.878,606 6.696,607 7.551,608 8.391,609 9.249,610 10.1,611 10.96,612 11.817,613 12.68,614 7.9,615 1,620 10,624 9,627 3,628 12,631 1,634 139,635 22,636 2,637 76,638 143,639 48,640 12,641 3,642 9,644 5,645 5,649 1,652 14,653 1,654 20,655 22,656 26,657 1,658 10,660 10,662 10,665 67,666 22,667 14,668 24,669 2,670 11,672 1,673 11,676 1,679 1,680 3,683 2,684 7,685 1,686 1,692 5,693 1,694 2,698 72,699 3,701 1,702 18,703 7,705 2,706 8,707 1,711 7.9,713 1,714 10,717 39.333,718 23.067,719 16.167,720 8.315,721 1.061,722 1.116,723 0.924,724 24.266,725 10.233,726 4.533,727 4.949,728 5.242,729 5.565,730 5.96,731 5.851,732 5.992,733 6.292,734 6.407,735 6.45,736 0.786,737 110,738 27.633,739 12.482,740 8.118,741 50.358,742 41.696,743 2.618,744 188.5,748 623.868,749 240.133,750 227.891,752 294.133,754 60.363,755 179.769,756 918.001,757 227.891,759 268.957,760 85.286,761 341.179,762 6.371,764 684.232,766 623.868,767 407.66,768 294.133,769 60.363,770 482.615,771 435.386,773 268.957,774 138.704,776 60.363,777 623.868,778 522.024,779 240.133,781 623.868,782 154.847,783 88.411,784 126.075,785 392.824,786 623.868,787 522.024,788 240.133,789 0.572,790 0.319,791 0.168,792 0.098,793 37,794 22,795 0.112,796 16,798 1,799 6.543,800 902.098,802 43,803 430.235,804 2,806 58.319,807 29.958,808 19.337,810 522.024,811 14.969,814 1.275,815 267.45,816 1386.03,817 92,819 136.237,821 -7.55,822 140.614,823 158.25,824 0.239,825 0.497,826 0.701,827 0.856,828 0.912,829 0.925,830 5.787,831 2.532,832 6.671,833 7.959,834 5.323,835 5.638,836 4.187,837 7.431,838 5.289,839 6.932,840 2.413,841 8.204,842 7,843 4.89,844 5.373,845 3.703,846 8.236,847 4.873,848 8.199,849 2.331,850 9.835,851 6.804,852 6.872,853 7.514,854 5.259,855 11.311,856 6.803,857 9.488,858 2.228,859 11.524,860 6.637,861 7.231,862 7.991,863 5.361,864 12.937,865 7.172,866 10.806,867 2.2,868 13.25,869 5.927,870 8.685,871 9.656,872 6.467,873 15.53,874 8.579,875 12.142,876 2.077,877 15.003,878 5.748,879 9.41,880 10.447,881 6.828,882 17.517,883 9.3,884 13.491,885 2.031,886 16.775,887 5.641,888 10.649,889 11.934,890 7.733,891 19.939,892 10.501,893 3.158,894 1.915,895 18.562,896 5.19,897 11.558,898 12.879,899 8.231,900 22.102,901 11.393,902 2.986,903 10.878,904 20.362,905 4.956,906 12.706,907 14.287,908 9.032,909 24.463,910 12.507,911 2.905,912 9.385,913 22.171,914 3.626,915 13.708,916 15.32,917 9.607,918 26.717,919 13.484,920 2.822,921 9.109,922 23.988,923 3.476,924 14.821,925 16.686,926 10.351,927 29.063,928 14.564,929 2.766,930 8.825,931 25.813,932 3.435,933 15.871,934 17.777,935 10.969,936 31.366,937 15.585,938 2.678,939 8.614,940 27.644,941 3.272,942 16.974,943 19.115,944 11.683,945 33.714,946 16.654,947 2.536,948 8.285,949 29.48,950 3.198,951 18.051,952 20.249,953 12.326,954 36.046,955 17.699,956 106494,957 184183,958 49.123,959 88.677,960 112.88,961 121.328,962 115.462,963 111.151,964 111.154,965 130.163,966 43.345,967 305.952,968 109.368,969 5.278,970 5.998,971 6.534,972 5.22,973 5.158,974 6.626,975 3.536,976 18.265,977 5.045,978 47.311,979 1.485,980 1.596,981 1.519,982 1.463,983 1.463,984 1.713,985 0.57,986 4.026,987 1.439,988 4.034,989 4.078,990 4.172,991 3.919,992 7.454,993 3.917,994 3.924,995 3.966,996 3.933,997 3.848,998 7.436,999 3.842,1000 3.913,1001 3.949,1002 3.85,1003 3.805,1004 7.433,1005 3.799,1006 3.892,1007 3.934,1008 3.837,1009 3.758,1010 7.43,1011 3.76,1012 3.8,1013 3.847,1014 3.788,1015 3.634,1016 7.429,1017 3.632,1018 3.765,1019 3.82,1020 3.708,1021 3.577,1022 7.427,1023 3.59,1024 3.735,1025 3.774,1026 3.672,1027 3.575,1028 7.425,1029 3.57,1030 3.675,1031 3.719,1032 3.659,1033 3.531,1034 7.423,1035 3.516,1036 0.056,1037 0.053,1038 0.089,1039 0.054,1040 0.042,1041 4.278,1042 0.048,1043 3.998,1044 0.027,1045 6.732,1046 0.143,1047 4.124,1048 0.04,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.045,1054 1.933,1055 1.903,1056 2.123,1057 2.063,1058 1.528,1059 2.08,1060 1.915,1061 1.888,1062 2.058,1063 2.033,1064 1.258,1065 2.042,1066 1.906,1067 1.856,1068 2.035,1069 2.002,1070 1.232,1071 2.016,1072 1.756,1073 1.713,1074 1.928,1075 1.98,1076 1.221,1077 1.961,1078 1.731,1079 1.683,1080 1.886,1081 1.953,1082 1.19,1083 1.937,1084 1.664,1085 1.624,1086 1.85,1087 1.873,1088 1.163,1089 1.858,1090 1.644,1091 1.603,1092 1.818,1093 1.855,1094 1.12,1095 1.844,1096 1.595,1097 1.543,1098 1.797,1099 1.805,1100 1.082,1101 1.801,1102 5.03,1104 6.33,1105 2.398,1106 7.792,1107 4.595,1108 9.33,1109 6.605,1110 10.912,1114 16.511,1115 9.936,1116 3.869,1117 18.676,1119 2.303,1120 -8.99,1121 1.265,1123 84.223,1124 236.919,1125 491.883,1126 694.138,1127 846.739,1128 902.778,1129 915.533,1130 437.087,1131 9.173,1132 356.44,1133 407.04,1134 43,1135 13.23,1136 4.524,1137 4.087,1138 161.51,1139 524,1140 565,1141 0.152,1142 528.355,1143 967.83,1144 1280.95,1145 166815,1147 52.158,1148 0.724,1149 0.579,1150 52.865,1151 41.701,1152 34.501,1153 0.454,1154 0.352,1155 24.054,1156 32.175,1157 23.536,1158 19.341,1159 35.626,1160 26.719,1161 30.93,1162 0.303,1163 0.204,1164 32.135,1165 20.831,1166 23.774,1167 0.192,1168 0.121,1169 24.942,1170 15.032,1171 18.746,1172 0.123,1173 0.072,1174 20.02,1175 11.023,1176 15.411,1177 0.083,1178 0.042,1179 16.739,1180 7.826,1181 0.239,1182 227.731,1183 0.143,1184 55.876,1185 0.42,1186 356,1187 1169.14,1188 437.67,1189 1143.46,1190 1469.81,1191 1054,1192 404,1193 963.429,1194 481.789,1195 986.828,1196 1419.97,1197 929,1198 9.097} {0 CHEMBL412972,1 1.706,2 19.507,3 -0.146,4 0.021,5 264.892,6 7.438,7 0.162,8 4.994,9 5.127,10 4.578,11 4.477,12 6.127,13 4.437,14 5.557,15 5.739,16 4.886,17 4.871,18 6.684,19 4.798,20 5.925,21 6.146,22 5.023,23 5.059,24 7.051,25 4.966,26 6.023,27 6.249,28 5.16,29 5.103,30 7.182,31 5.041,32 6.074,33 6.279,34 5.337,35 5.197,36 7.486,37 5.144,38 6.209,39 6.425,40 5.393,41 5.347,42 7.406,43 5.267,44 6.323,45 6.531,46 5.491,47 5.454,48 7.522,49 5.375,50 6.393,51 6.598,52 5.588,53 5.542,54 7.727,55 5.452,56 0.287,57 2.059,58 33.706,59 12.885,60 51.045,61 16.693,62 0.93,63 3.179,64 60.467,65 21.527,66 137.435,67 29.888,68 2.013,69 3.978,70 96.598,71 28.686,72 286.057,73 39.707,74 2.062,75 4.218,76 108.576,77 28.673,78 334.75,79 40.946,80 2.996,81 4.594,82 111.257,83 30.541,84 556.466,85 43.514,86 2.743,87 5.286,88 129.688,89 37.538,90 419.758,91 51.077,92 2.951,93 5.84,94 153.789,95 42.284,96 486.485,97 56.192,98 3.805,99 6.347,100 160.578,101 46.534,102 681.803,103 63.292,104 300,105 99,106 0.234,107 0.491,108 0.698,109 0.831,110 0.889,111 0.901,112 4.278,113 1.056,114 1.1,115 0.89,116 0.59,117 34.1,118 2,119 10,120 1,123 5,124 7,126 9,127 2,128 1,134 10,136 3,137 3,138 3,139 18,140 1,141 4,142 2,143 9,145 10,147 18,148 2,150 1,151 6,153 9,154 6,155 13,156 1,157 9,158 1,160 12,162 1,163 1,164 14,165 1,166 2,167 1,168 10,169 13,170 2,171 9,172 1,173 18,174 1,175 5,177 2,178 19,179 1,180 9,181 6,182 13,183 2,184 9,185 1,187 20,188 1,189 2,190 3,191 11,192 2,193 17,194 2,196 10,197 14,198 4,199 11,200 2,201 16,203 20,204 2,206 4,207 17,208 3,209 12,210 4,211 16,213 24,214 4,216 14116,217 46.473,218 46.473,219 46.473,220 46.473,221 46.473,222 43.49,223 46.118,224 28.104,225 46.994,226 36.476,227 36.476,228 36.476,229 36.476,230 36.476,231 31.598,232 38.54,233 13.408,234 37.204,235 5.403,236 3.526,237 2.015,238 1.049,239 0.625,240 0.533,241 4.959,245 2851,246 6.285,249 212.835,250 462.753,253 2.768,254 150.324,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 158.5,265 1385,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.045,275 4.147,276 3.862,277 6.243,278 3.967,279 2.983,280 3.476,281 2.003,282 9.369,283 2.928,284 4.082,285 3.817,286 6.166,287 3.89,288 2.903,289 3.435,290 1.987,291 9.104,292 2.857,293 4.023,294 3.806,295 6.091,296 3.807,297 2.819,298 3.271,299 1.973,300 8.813,301 2.776,302 3.971,303 3.728,304 6.017,305 3.756,306 2.766,307 3.198,308 1.946,309 8.609,310 2.733,311 3.891,312 3.692,313 5.918,314 3.651,315 2.656,316 3.144,317 1.929,318 8.25,319 2.637,320 3.872,321 3.629,322 5.836,323 3.522,324 2.536,325 3.06,326 1.909,327 7.923,328 2.506,329 3.737,330 3.574,331 5.373,332 3.517,333 2.52,334 2.913,335 1.898,336 7,337 2.496,338 3.689,339 3.507,340 5.286,341 3.375,342 2.372,343 2.857,344 1.886,345 6.714,346 2.372,347 3.553,348 3.494,349 5.087,350 3.245,351 2.232,352 2.734,353 1.886,354 5.928,355 2.249,356 3.52,357 3.474,358 5.001,359 3.216,360 2.202,361 2.673,362 0.634,363 5.759,364 2.218,365 3.46,366 3.243,367 4.883,368 3.112,369 2.087,370 2.641,371 0.404,372 5.642,373 2.125,374 3.382,375 2.817,376 4.687,377 3.068,378 2.06,379 2.613,380 0.346,381 5.195,382 2.069,383 3.163,384 2.733,385 4.668,386 3.007,387 2.03,388 2.174,389 0.325,390 5.08,391 1.968,392 3.098,393 2.555,394 4.639,395 2.889,396 1.91,397 2.108,398 0.23,399 4.945,400 1.851,401 33.233,402 0.468,403 1.918,404 0.027,405 72.25,406 1.018,407 27.5,408 0.387,409 44.75,410 0.63,411 112.442,412 1.584,413 83.167,414 0.603,415 93.212,416 1.313,417 13.317,418 0.188,419 20.523,420 0.289,421 0.177,423 0.328,425 0.766,426 1.361,427 0.77,428 1.047,429 0.629,430 1.027,431 0.542,432 1.361,433 0.938,434 1.243,435 0.509,436 1.175,437 0.978,438 1.003,439 1.077,440 1.062,441 1.008,442 1.057,443 1.259,444 1.069,445 0.97,446 0.963,447 1.242,448 0.908,449 0.938,450 1.115,451 0.886,452 0.99,453 0.919,454 0.955,455 1.101,456 0.98,457 1.04,458 0.99,459 1.092,460 0.968,461 1.348,462 1.062,463 1.223,464 1.095,465 1.348,466 0.987,467 0.945,468 1.113,469 1.101,470 1.148,471 0.959,472 1.075,473 16,474 1.249,475 7.556,476 4.493,477 4.983,478 2.872,479 2.407,480 2.337,481 1.666,482 1.363,483 104623,484 317881,485 1.94,486 48.6,487 9,488 26,491 14,492 4,493 14,495 1.937,496 1.782,497 4.181,498 8.847,500 235.375,501 1.706,502 3.582,503 5.093,504 6.059,505 6.483,506 6.576,507 3.545,508 5.773,509 6.122,510 4.399,511 10930.6,512 11.061,513 279902,516 980.976,517 1.522,518 6.057,519 0.216,520 0.007,521 0.076,522 0.042,523 0.041,524 0.02,525 0.016,526 0.014,527 0.009,528 0.007,529 0.45,530 0.17,531 0.5,532 1.589,533 465.092,534 -0.105,535 -0.004,536 0.084,537 0.108,538 -0.055,539 0.058,540 0.142,541 -0.149,542 -0.02,543 -0.131,544 0.084,545 -0.11,546 -0.01,547 0.062,548 -0.075,549 -0.038,550 -0.086,551 -0.06,552 -0.152,553 -0.053,554 0.041,555 0.021,556 -0.134,557 0.064,558 0.182,559 -0.051,560 0.105,561 0.003,562 0.208,563 0.019,564 -0.045,565 0.089,566 0.003,567 0.045,568 -0.059,569 0.018,570 -0.195,571 0.002,572 -0.074,573 0.012,574 -0.159,575 0.007,576 0.103,577 -0.039,578 -0.018,579 -0.052,580 0.112,581 -0.064,582 2.972,583 7.537,584 0.521,585 118.239,586 1.012,587 1.139,588 -2.329,589 5.423,590 0.635,591 4.317,592 4.605,593 4.779,594 4.984,595 5.17,596 5.204,597 5.318,598 5.46,599 5.517,600 5.565,601 11.549,602 0.603,603 1026.39,604 4.317,605 5.849,606 6.661,607 7.515,608 8.351,609 9.208,610 10.057,611 10.917,612 11.772,613 12.635,614 8,615 1,620 10,624 9,627 3,628 12,631 1,634 138,635 22,636 2,637 74,638 141,639 47,640 12,641 3,642 9,644 4,645 4,649 3,652 9,654 17,655 22,656 25,657 1,658 10,660 10,662 10,665 67,666 22,667 14,668 24,669 2,670 11,672 1,673 11,676 1,679 1,680 2,683 2,684 7,685 1,686 1,692 4,693 1,694 2,695 2,698 71,699 3,701 1,702 15,703 7,705 2,706 8,707 1,711 8,713 1,714 10,717 39.833,718 23.567,719 16,720 8.149,721 1.11,722 1.122,723 0.914,724 25.309,725 10.172,726 4.511,727 4.927,728 5.209,729 5.533,730 5.932,731 5.822,732 5.957,733 6.252,734 6.362,735 6.39,736 0.786,737 107,738 27.213,739 12.172,740 8.148,741 49.323,742 40.174,743 2.648,744 188,748 623.868,749 250.18,750 227.891,752 294.133,754 60.363,755 189.816,756 918.001,757 227.891,758 17.65,759 261.353,760 85.286,761 341.179,762 6.371,764 684.232,766 623.868,767 417.707,768 294.133,769 60.363,770 459.073,771 458.928,773 279.003,774 138.704,776 60.363,777 623.868,778 522.024,779 250.18,781 623.868,782 147.243,783 106.061,784 126.075,785 392.824,786 623.868,787 522.024,788 250.18,789 0.572,790 0.313,791 0.163,792 0.096,793 34,794 22,795 0.128,796 18,798 1,799 6.453,800 867.795,802 37,803 424.632,804 2,806 58.995,807 30.459,808 20.459,810 522.024,811 14.848,814 1.247,815 267.45,816 1396.07,817 90,819 135.68,821 -7.587,822 139.614,823 157.25,824 0.24,825 0.504,826 0.716,827 0.852,828 0.912,829 0.925,830 5.762,831 2.52,832 6.64,833 7.923,834 5.293,835 5.617,836 4.187,837 7.398,838 5.259,839 6.912,840 2.372,841 8.174,842 7,843 4.89,844 5.373,845 3.703,846 8.212,847 4.873,848 8.18,849 2.232,850 9.806,851 6.714,852 6.841,853 7.497,854 5.259,855 11.281,856 6.769,857 9.47,858 2.202,859 11.496,860 5.928,861 7.216,862 7.984,863 5.361,864 12.912,865 7.156,866 10.789,867 2.087,868 13.223,869 5.759,870 8.653,871 9.644,872 6.467,873 15.507,874 8.544,875 12.125,876 2.06,877 14.977,878 5.642,879 9.389,880 10.439,881 6.828,882 17.499,883 9.277,884 13.474,885 2.03,886 16.751,887 5.195,888 10.619,889 11.926,890 7.733,891 19.923,892 10.467,893 3.158,894 1.91,895 18.539,896 5.08,897 11.535,898 12.873,899 8.231,900 22.089,901 11.367,902 2.983,903 10.878,904 20.34,905 4.945,906 12.68,907 14.282,908 9.032,909 24.452,910 12.475,911 2.903,912 9.369,913 22.151,914 3.626,915 13.687,916 15.316,917 9.607,918 26.707,919 13.458,920 2.819,921 9.104,922 23.97,923 3.476,924 14.798,925 16.682,926 10.351,927 29.055,928 14.536,929 2.766,930 8.813,931 25.797,932 3.435,933 15.852,934 17.774,935 10.969,936 31.359,937 15.561,938 2.656,939 8.609,940 27.629,941 3.271,942 16.955,943 19.113,944 11.683,945 33.708,946 16.629,947 2.536,948 8.25,949 29.467,950 3.198,951 18.034,952 20.247,953 12.326,954 36.04,955 17.676,956 103365,957 180442,958 47.043,959 87.677,960 109.793,961 118.409,962 112.554,963 107.98,964 107.989,965 127,966 43.345,967 296.572,968 106.204,969 5.278,970 5.998,971 6.641,972 5.22,973 5.158,974 6.626,975 3.536,976 18.265,977 5.045,978 50.283,979 1.484,980 1.6,981 1.521,982 1.459,983 1.459,984 1.716,985 0.586,986 4.008,987 1.435,988 4.025,989 4.068,990 4.171,991 3.912,992 7.454,993 3.91,994 3.924,995 3.966,996 3.928,997 3.848,998 7.436,999 3.842,1000 3.911,1001 3.941,1002 3.849,1003 3.779,1004 7.433,1005 3.785,1006 3.843,1007 3.889,1008 3.837,1009 3.683,1010 7.43,1011 3.691,1012 3.795,1013 3.85,1014 3.763,1015 3.637,1016 7.429,1017 3.632,1018 3.741,1019 3.788,1020 3.701,1021 3.606,1022 7.427,1023 3.576,1024 3.724,1025 3.766,1026 3.663,1027 3.558,1028 7.425,1029 3.57,1030 3.63,1031 3.697,1032 3.605,1033 3.497,1034 7.423,1035 3.47,1036 0.058,1037 0.054,1038 0.091,1039 0.056,1040 0.043,1041 4.278,1042 0.049,1043 3.998,1044 0.027,1045 6.732,1046 0.147,1047 4.124,1048 0.041,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.045,1054 1.932,1055 1.903,1056 2.06,1057 2.047,1058 1.334,1059 2.048,1060 1.914,1061 1.888,1062 2.035,1063 2.01,1064 1.317,1065 2.018,1066 1.801,1067 1.752,1068 2.011,1069 1.992,1070 1.254,1071 1.989,1072 1.784,1073 1.731,1074 1.998,1075 1.98,1076 1.218,1077 1.983,1078 1.719,1079 1.675,1080 1.873,1081 1.921,1082 1.217,1083 1.919,1084 1.661,1085 1.622,1086 1.861,1087 1.864,1088 1.158,1089 1.854,1090 1.632,1091 1.583,1092 1.815,1093 1.845,1094 1.095,1095 1.843,1096 1.598,1097 1.546,1098 1.787,1099 1.826,1100 1.062,1101 1.813,1102 5.004,1104 6.301,1105 2.398,1106 7.755,1107 4.595,1108 9.286,1109 6.605,1110 10.863,1111 3.588,1114 16.431,1115 9.901,1116 0.959,1117 18.544,1119 2.295,1120 -9.18,1121 1.275,1123 83.223,1124 235.375,1125 494.346,1126 702.866,1127 836.182,1128 894.712,1129 907.467,1130 499.27,1131 9.062,1132 356.44,1133 407.04,1134 37,1135 13.186,1136 4.524,1137 4.087,1138 184.655,1139 514,1140 540,1141 0.174,1142 526.156,1143 962.89,1144 1275.58,1145 148511,1147 52.036,1148 0.733,1149 0.586,1150 52.743,1151 41.58,1152 33.84,1153 0.457,1154 0.352,1155 23.392,1156 31.513,1157 22.769,1158 18.818,1159 34.965,1160 26.057,1161 30.527,1162 0.308,1163 0.206,1164 31.732,1165 20.428,1166 22.706,1167 0.192,1168 0.118,1169 23.874,1170 13.937,1171 17.786,1172 0.123,1173 0.069,1174 19.06,1175 10.065,1176 14.529,1177 0.083,1178 0.04,1179 15.857,1180 6.958,1181 0.275,1182 223.76,1183 0.146,1184 55.464,1185 0.476,1186 346,1187 1159.14,1188 427.67,1189 1134.15,1190 1453.53,1191 1044,1192 390,1193 949.429,1194 467.789,1195 973.823,1196 1398.28,1197 915,1198 9.796} {0 CHEMBL412973,1 1.728,2 19.362,3 -1.182,4 1.397,5 255.647,6 7.563,7 0.167,8 4.954,9 5.086,10 4.553,11 4.436,12 6.103,13 4.401,14 5.512,15 5.69,16 4.866,17 4.829,18 6.661,19 4.762,20 5.88,21 6.095,22 5.005,23 5.018,24 7.029,25 4.933,26 5.982,27 6.203,28 5.146,29 5.064,30 7.166,31 5.009,32 6.036,33 6.235,34 5.321,35 5.159,36 7.483,37 5.112,38 6.171,39 6.384,40 5.364,41 5.31,42 7.388,43 5.231,44 6.281,45 6.489,46 5.458,47 5.414,48 7.478,49 5.335,50 6.348,51 6.553,52 5.559,53 5.496,54 7.701,55 5.408,56 0.311,57 1.982,58 31.811,59 12.216,60 53.332,61 15.626,62 0.952,63 3.054,64 57.134,65 20.4,66 137.807,67 28.079,68 2.035,69 3.825,70 91.892,71 27.24,72 288.39,73 37.254,74 2.129,75 4.065,76 103.955,77 27.378,78 343.114,79 38.546,80 3.068,81 4.431,82 106.241,83 29.238,84 564.675,85 41.109,86 2.804,87 5.089,88 124.525,89 36.168,90 433.565,91 48.707,92 2.943,93 5.616,94 147.791,95 40.749,96 483.291,97 53.545,98 3.79,99 6.088,100 153.493,101 44.482,102 673.858,103 60.066,104 294,105 97,106 0.239,107 0.5,108 0.706,109 0.834,110 0.887,111 0.9,112 4.25,113 1.044,114 1.42,115 1.2,116 0.86,117 34.1,118 2,119 8,120 1,123 5,124 7,126 9,127 2,128 1,134 10,136 3,137 3,138 3,139 16,140 1,141 4,142 2,143 9,145 10,147 17,148 2,150 1,151 6,153 9,154 6,155 11,156 1,157 9,160 11,162 1,163 2,164 11,165 2,166 2,168 10,169 11,170 3,171 10,172 2,173 17,174 2,175 5,177 2,178 17,179 2,180 10,181 5,182 13,183 1,184 8,185 1,187 18,188 1,189 2,190 2,191 11,192 1,193 15,194 2,196 10,197 12,198 4,199 11,200 3,201 16,202 2,203 19,204 2,205 1,206 4,207 16,208 3,209 12,210 4,211 14,213 24,214 3,216 12517,217 45.059,218 45.059,219 45.059,220 45.059,221 45.059,222 42.076,223 46.118,224 27.08,225 45.58,226 35.476,227 35.476,228 35.476,229 35.476,230 35.476,231 30.598,232 40.062,233 12.859,234 36.202,235 5.317,236 3.423,237 1.933,238 1.006,239 0.623,240 0.527,241 4.931,245 2755,246 6.124,249 204.263,250 444.997,253 2.697,254 148.299,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 154.5,265 1336,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.626,272 2.025,273 10.878,274 3.045,275 4.147,276 3.862,277 6.243,278 3.967,279 2.983,280 3.476,281 2.003,282 9.369,283 2.928,284 4.082,285 3.817,286 6.166,287 3.89,288 2.903,289 3.435,290 1.987,291 9.104,292 2.857,293 4.022,294 3.806,295 6.091,296 3.806,297 2.818,298 3.271,299 1.973,300 8.812,301 2.775,302 3.971,303 3.728,304 6.017,305 3.756,306 2.765,307 3.198,308 1.946,309 8.608,310 2.732,311 3.891,312 3.692,313 5.918,314 3.65,315 2.656,316 3.143,317 1.929,318 8.249,319 2.637,320 3.872,321 3.629,322 5.836,323 3.522,324 2.536,325 3.06,326 1.909,327 7.923,328 2.506,329 3.737,330 3.574,331 5.373,332 3.517,333 2.52,334 2.913,335 1.898,336 7,337 2.496,338 3.689,339 3.507,340 5.286,341 3.375,342 2.372,343 2.857,344 1.886,345 6.714,346 2.372,347 3.553,348 3.494,349 5.087,350 3.245,351 2.232,352 2.734,353 1.886,354 5.928,355 2.249,356 3.52,357 3.474,358 5.001,359 3.214,360 2.201,361 2.673,362 0.634,363 5.759,364 2.217,365 3.46,366 3.243,367 4.883,368 3.112,369 2.087,370 2.641,371 0.404,372 5.642,373 2.125,374 3.382,375 2.817,376 4.686,377 3.068,378 2.06,379 2.613,380 0.346,381 5.192,382 2.069,383 3.163,384 2.733,385 4.668,386 3.007,387 2.03,388 2.174,389 0.325,390 5.08,391 1.968,392 3.098,393 2.555,394 4.639,395 2.889,396 1.91,397 2.108,398 0.23,399 4.944,400 1.851,401 32.233,402 0.467,403 1.918,404 0.028,405 71.25,406 1.033,407 27.5,408 0.399,409 43.75,410 0.634,411 106.658,412 1.546,413 80.567,414 0.61,415 91.832,416 1.331,417 13.317,418 0.193,419 19.523,420 0.283,421 0.182,423 0.338,425 0.771,426 1.356,427 0.756,428 1.03,429 0.633,430 1.009,431 0.547,432 1.357,433 0.931,434 1.234,435 0.514,436 1.162,437 0.993,438 1.005,439 1.091,440 1.066,441 1.023,442 1.064,443 1.266,444 1.067,445 0.976,446 0.966,447 1.251,448 0.909,449 0.929,450 1.105,451 0.892,452 0.993,453 0.912,454 0.963,455 1.084,456 0.979,457 1.045,458 0.993,459 1.076,460 0.977,461 1.319,462 1.065,463 1.224,464 1.102,465 1.321,466 0.99,467 0.9,468 1.109,469 1.093,470 1.152,471 0.91,472 1.075,473 16,474 1.213,475 7.556,476 4.493,477 4.983,478 2.816,479 2.325,480 2.306,481 1.617,482 1.279,483 96429,484 302711,485 1.938,486 47.7,487 7,488 26,491 14,492 4,493 10,494 2,495 1.931,496 1.777,497 4.155,498 8.92,500 228.051,501 1.728,502 3.622,503 5.112,504 6.038,505 6.421,506 6.518,507 3.532,508 5.692,509 6.081,510 4.359,511 10227.1,512 10.98,513 255471,516 929.86,517 1.533,518 6.013,519 0.222,520 0.007,521 0.078,522 0.043,523 0.042,524 0.02,525 0.016,526 0.015,527 0.009,528 0.007,529 0.459,530 0.17,531 0.5,532 1.496,533 448.186,534 -0.112,535 -0.004,536 0.085,537 0.114,538 -0.059,539 0.061,540 0.139,541 -0.145,542 -0.019,543 -0.127,544 0.082,545 -0.105,546 -0.023,547 0.065,548 -0.09,549 -0.042,550 -0.098,551 -0.07,552 -0.16,553 -0.049,554 0.033,555 0.018,556 -0.142,557 0.06,558 0.188,559 -0.04,560 0.095,561 -0.002,562 0.216,563 0.006,564 -0.046,565 0.084,566 -0.006,567 0.043,568 -0.055,569 0.01,570 -0.201,571 -0.006,572 -0.078,573 0.01,574 -0.169,575 0.007,576 0.116,577 -0.038,578 -0.011,579 -0.056,580 0.123,581 -0.065,582 2.974,583 7.446,584 0.536,585 110.615,586 1.014,587 1.14,588 -2.651,589 7.03,590 0.638,591 4.29,592 4.585,593 4.762,594 4.97,595 5.153,596 5.176,597 5.288,598 5.434,599 5.485,600 5.529,601 11.237,602 0.607,603 998.33,604 4.29,605 5.826,606 6.64,607 7.497,608 8.335,609 9.195,610 10.044,611 10.905,612 11.761,613 12.625,614 8.3,615 1,620 10,624 9,627 3,628 12,631 1,634 132,635 22,636 2,637 72,638 135,639 45,640 12,641 3,642 9,644 4,645 4,649 3,652 9,654 15,655 22,656 23,657 1,658 10,660 10,662 10,665 63,666 22,667 14,668 24,669 2,670 11,672 1,673 11,676 1,679 1,680 2,683 2,684 7,685 1,686 1,692 4,693 1,694 2,695 2,698 69,699 3,701 1,702 13,703 7,705 2,706 8,707 1,711 8.3,713 1,714 10,717 38.833,718 22.567,719 15.5,720 7.649,721 1.13,722 1.126,723 0.914,724 23.908,725 10.129,726 4.489,727 4.913,728 5.198,729 5.525,730 5.924,731 5.804,732 5.936,733 6.239,734 6.346,735 6.371,736 0.786,737 105,738 26.444,739 11.88,740 8.181,741 47.69,742 38.84,743 2.681,744 185,748 576.784,749 245.111,750 227.891,752 294.133,754 60.363,755 184.747,756 870.917,757 227.891,758 17.65,759 256.284,760 85.286,761 341.179,762 6.371,764 637.147,766 576.784,767 412.638,768 294.133,769 60.363,770 435.531,771 435.386,773 273.934,774 138.704,776 60.363,777 576.784,778 522.024,779 245.111,781 576.784,782 142.174,783 106.061,784 126.075,785 392.824,786 576.784,787 522.024,788 245.111,789 0.574,790 0.316,791 0.166,792 0.097,793 34,794 22,795 0.119,796 16,798 1,799 6.316,800 838.011,802 37,803 409.488,804 2,806 57.011,807 28.936,808 19.277,810 522.024,811 14.825,814 1.242,815 267.45,816 1343.92,817 88,819 134.857,821 -7.733,822 133.847,823 150.42,824 0.245,825 0.514,826 0.726,827 0.857,828 0.912,829 0.925,830 5.743,831 2.52,832 6.624,833 7.923,834 5.273,835 5.602,836 4.187,837 7.388,838 5.238,839 6.898,840 2.372,841 8.163,842 7,843 4.89,844 5.373,845 3.703,846 8.212,847 4.873,848 8.17,849 2.232,850 9.798,851 6.714,852 6.828,853 7.491,854 5.259,855 11.278,856 6.755,857 9.463,858 2.201,859 11.491,860 5.928,861 7.216,862 7.984,863 5.361,864 12.912,865 7.156,866 10.783,867 2.087,868 13.22,869 5.759,870 8.646,871 9.641,872 6.467,873 15.506,874 8.536,875 12.12,876 2.06,877 14.975,878 5.642,879 9.389,880 10.439,881 6.828,882 17.499,883 9.277,884 13.471,885 2.03,886 16.749,887 5.192,888 10.616,889 11.925,890 7.733,891 19.922,892 10.462,893 3.158,894 1.91,895 18.538,896 5.08,897 11.535,898 12.873,899 8.231,900 22.088,901 11.366,902 2.983,903 10.878,904 20.34,905 4.944,906 12.678,907 14.281,908 9.032,909 24.452,910 12.473,911 2.903,912 9.369,913 22.151,914 3.626,915 13.686,916 15.316,917 9.607,918 26.707,919 13.457,920 2.818,921 9.104,922 23.97,923 3.476,924 14.797,925 16.682,926 10.351,927 29.055,928 14.534,929 2.765,930 8.812,931 25.796,932 3.435,933 15.852,934 17.774,935 10.969,936 31.359,937 15.56,938 2.656,939 8.608,940 27.629,941 3.271,942 16.954,943 19.113,944 11.683,945 33.707,946 16.628,947 2.536,948 8.249,949 29.467,950 3.198,951 18.034,952 20.247,953 12.326,954 36.04,955 17.675,956 95177,957 168884,958 45.657,959 84.154,960 107.323,961 115.945,962 110.157,963 105.458,964 105.466,965 124.479,966 43.345,967 291.503,968 103.679,969 5.278,970 5.998,971 6.534,972 5.22,973 5.158,974 6.626,975 3.536,976 18.265,977 5.045,978 49.35,979 1.491,980 1.61,981 1.53,982 1.465,983 1.465,984 1.729,985 0.602,986 4.049,987 1.44,988 4.022,989 4.064,990 4.171,991 3.91,992 7.454,993 3.909,994 3.923,995 3.966,996 3.926,997 3.848,998 7.436,999 3.842,1000 3.911,1001 3.941,1002 3.849,1003 3.775,1004 7.433,1005 3.782,1006 3.843,1007 3.889,1008 3.837,1009 3.683,1010 7.43,1011 3.691,1012 3.777,1013 3.831,1014 3.763,1015 3.62,1016 7.429,1017 3.602,1018 3.739,1019 3.786,1020 3.694,1021 3.575,1022 7.427,1023 3.57,1024 3.724,1025 3.766,1026 3.66,1027 3.555,1028 7.425,1029 3.568,1030 3.623,1031 3.67,1032 3.605,1033 3.496,1034 7.423,1035 3.469,1036 0.059,1037 0.056,1038 0.094,1039 0.057,1040 0.044,1041 4.278,1042 0.05,1043 3.998,1044 0.028,1045 6.732,1046 0.151,1047 4.124,1048 0.042,1049 3.158,1050 3.626,1051 2.025,1052 10.878,1053 3.045,1054 1.932,1055 1.903,1056 2.06,1057 2.047,1058 1.317,1059 2.048,1060 1.914,1061 1.888,1062 2.035,1063 2.01,1064 1.254,1065 2.018,1066 1.801,1067 1.752,1068 2.011,1069 1.989,1070 1.232,1071 1.987,1072 1.75,1073 1.703,1074 1.928,1075 1.97,1076 1.218,1077 1.958,1078 1.711,1079 1.665,1080 1.873,1081 1.918,1082 1.19,1083 1.915,1084 1.661,1085 1.622,1086 1.85,1087 1.864,1088 1.156,1089 1.854,1090 1.614,1091 1.569,1092 1.815,1093 1.836,1094 1.095,1095 1.822,1096 1.591,1097 1.535,1098 1.772,1099 1.789,1100 1.059,1101 1.8,1102 4.977,1104 6.279,1105 2.398,1106 7.738,1107 4.595,1108 9.273,1109 6.605,1110 10.853,1111 3.581,1114 16.404,1115 9.887,1116 -0.64,1117 18.33,1119 2.28,1120 -9.281,1121 1.249,1123 80.169,1124 228.051,1125 478.077,1126 674.769,1127 797.066,1128 847.595,1129 860.35,1130 475.43,1131 8.999,1132 356.44,1133 407.04,1134 37,1135 13.174,1136 4.524,1137 4.087,1138 176,1139 493,1140 532,1141 0.176,1142 506.972,1143 928.29,1144 1228.77,1145 136689,1147 50.622,1148 0.734,1149 0.582,1150 51.329,1151 40.166,1152 32.84,1153 0.456,1154 0.348,1155 22.392,1156 30.513,1157 21.789,1158 17.985,1159 33.965,1160 25.057,1161 29.82,1162 0.307,1163 0.203,1164 31.025,1165 19.721,1166 22.187,1167 0.191,1168 0.116,1169 23.355,1170 13.446,1171 17.5,1172 0.122,1173 0.068,1174 18.775,1175 9.739,1176 14.318,1177 0.083,1178 0.039,1179 15.645,1180 6.704,1181 0.276,1182 217.76,1183 0.148,1184 54.214,1185 0.481,1186 338,1187 1151.14,1188 419.67,1189 1125.83,1190 1442.01,1191 1036,1192 382,1193 941.429,1194 459.789,1195 965.5,1196 1386.77,1197 907,1198 9.602} {0 CHEMBL414074,1 1.776,2 20.11,3 -3.839,4 14.74,5 265.801,6 7.753,7 0.158,8 4.99,9 5.127,10 4.605,11 4.452,12 6.174,13 4.429,14 5.537,15 5.715,16 4.911,17 4.838,18 6.74,19 4.78,20 5.894,21 6.109,22 5.031,23 5.02,24 7.063,25 4.945,26 5.985,27 6.199,28 5.169,29 5.075,30 7.187,31 5.029,32 6.065,33 6.265,34 5.353,35 5.181,36 7.506,37 5.138,38 6.196,39 6.412,40 5.42,41 5.33,42 7.453,43 5.259,44 6.306,45 6.514,46 5.514,47 5.43,48 7.549,49 5.362,50 6.37,51 6.572,52 5.615,53 5.507,54 7.744,55 5.437,56 0.396,57 2.094,58 31.665,59 11.671,60 65.89,61 15.207,62 1.143,63 3.138,64 57.051,65 19.959,66 164.198,67 27.655,68 2.303,69 3.824,70 92.428,71 25.985,72 331.424,73 35.999,74 2.353,75 4.055,76 102.33,77 26.271,78 380.83,79 37.196,80 3.314,81 4.487,82 107.849,83 29.554,84 596.323,85 41.637,86 3.189,87 5.157,88 126.133,89 36.346,90 489.485,91 49.455,92 3.378,93 5.678,94 149.772,95 40.358,96 557.332,97 53.656,98 4.158,99 6.144,100 154.784,101 43.299,102 721.028,103 58.65,104 306,105 101,106 0.243,107 0.499,108 0.695,109 0.841,110 0.902,111 0.917,112 4.306,113 1.017,114 2.86,115 2.57,116 2.09,117 33.1,119 10,123 5,124 7,126 7,127 2,129 2,134 11,135 1,136 5,137 5,138 5,139 13,140 1,141 8,142 5,143 12,144 1,145 8,146 2,147 10,148 2,149 1,150 1,151 10,153 9,154 6,155 11,156 1,157 6,158 1,160 12,162 1,163 1,164 10,165 1,166 2,167 2,168 10,169 9,170 2,171 12,172 2,173 14,174 2,175 5,176 2,177 5,178 14,179 2,180 13,181 6,182 12,183 2,184 8,185 1,186 3,187 19,188 1,189 2,190 3,191 9,192 3,193 10,194 2,196 11,197 14,198 5,199 12,200 4,201 14,202 3,203 15,204 3,206 7,207 14,208 6,209 16,210 5,211 12,212 1,213 17,214 2,216 15843,217 47.724,218 47.724,219 47.724,220 47.724,221 47.724,222 44.17,223 51.025,224 28.939,225 48.372,226 37.51,227 37.51,228 37.51,229 37.51,230 37.51,231 31.89,232 45.732,233 13.868,234 38.402,235 5.311,236 3.446,237 2.02,238 0.953,239 0.506,240 0.397,241 4.987,245 3019,246 6.557,249 220.794,250 480.395,253 2.96,254 160.667,256 0.25,257 0.17,258 0.33,259 0.6,260 1,261 0.17,263 0.36,264 164.5,265 1468,266 4.278,267 3.998,268 6.732,269 4.124,270 3.158,271 3.485,272 2.025,273 10.878,274 3.045,275 4.142,276 3.862,277 6.237,278 3.962,279 2.978,280 3.464,281 2.003,282 9.347,283 2.923,284 4.069,285 3.817,286 6.165,287 3.887,288 2.9,289 3.435,290 1.987,291 9.098,292 2.853,293 3.999,294 3.806,295 6.088,296 3.802,297 2.815,298 3.267,299 1.973,300 8.798,301 2.771,302 3.963,303 3.728,304 6.014,305 3.752,306 2.761,307 3.183,308 1.946,309 8.601,310 2.728,311 3.869,312 3.692,313 5.915,314 3.634,315 2.64,316 3.136,317 1.929,318 8.22,319 2.621,320 3.813,321 3.629,322 5.826,323 3.514,324 2.516,325 3.049,326 1.909,327 7.891,328 2.504,329 3.733,330 3.575,331 5.302,332 3.421,333 2.429,334 2.911,335 1.898,336 6.82,337 2.407,338 3.686,339 3.51,340 5.278,341 3.369,342 2.365,343 2.9,344 1.886,345 6.678,346 2.366,347 3.658,348 3.506,349 5.087,350 3.227,351 2.235,352 2.857,353 1.886,354 5.907,355 2.237,356 3.544,357 3.494,358 5,359 3.218,360 2.209,361 2.71,362 1.886,363 5.752,364 2.219,365 3.524,366 3.474,367 4.685,368 3.2,369 2.196,370 2.687,371 1.2,372 5.21,373 2.215,374 3.519,375 3.243,376 4.663,377 3.134,378 2.171,379 2.673,380 0.634,381 5.167,382 2.119,383 3.459,384 2.815,385 4.656,386 3.105,387 2.076,388 2.613,389 0.404,390 5.155,391 2.021,392 3.107,393 2.746,394 4.641,395 2.894,396 1.916,397 2.12,398 0.346,399 4.955,400 1.854,401 33.833,402 0.463,403 1.956,404 0.027,405 77.25,406 1.058,407 30,408 0.411,409 47.25,410 0.647,411 110.102,412 1.508,413 84.967,414 0.625,415 102.546,416 1.405,417 14.951,418 0.205,419 19.85,420 0.272,421 0.167,423 0.322,425 0.786,426 1.403,427 0.746,428 1.028,429 0.638,430 0.988,431 0.543,432 1.34,433 0.934,434 1.257,435 0.501,436 1.182,437 1.059,438 0.977,439 1.123,440 1.049,441 1.076,442 1.057,443 1.313,444 1.077,445 1.028,446 1.001,447 1.279,448 0.952,449 0.928,450 1.079,451 0.891,452 1.007,453 0.93,454 0.975,455 0.974,456 0.957,457 1,458 1.006,459 0.98,460 0.974,461 1.254,462 1.06,463 1.19,464 1.116,465 1.238,466 0.986,467 0.971,468 1.081,469 1.093,470 1.143,471 0.985,472 1.053,473 16,474 1.317,475 7.556,476 4.431,477 4.792,478 2.927,479 2.327,480 2.375,481 1.625,482 1.392,483 113301,484 372333,485 1.941,486 46.3,488 24,490 2,491 17,492 6,493 14,495 1.943,496 1.788,497 4.212,498 11.482,500 241.536,501 1.776,502 3.641,503 5.068,504 6.135,505 6.582,506 6.69,507 3.634,508 5.851,509 6.162,510 4.435,511 11654.3,512 11.141,513 305816,516 963.895,517 1.51,518 6.099,519 0.211,520 0.007,521 0.075,522 0.041,523 0.039,524 0.02,525 0.015,526 0.014,527 0.009,528 0.007,529 0.438,530 0.17,531 0.38,532 1.695,533 482.075,534 -0.133,535 -0.032,536 0.078,537 0.112,538 -0.065,539 0.065,540 0.158,541 -0.12,542 -0.029,543 -0.143,544 0.104,545 -0.13,546 -0.072,547 0.085,548 -0.119,549 -0.02,550 -0.129,551 -0.065,552 -0.209,553 -0.054,554 -0.022,555 0.003,556 -0.174,557 0.026,558 0.17,559 -0.035,560 0.091,561 0.001,562 0.179,563 0.007,564 0.028,565 0.092,566 0.032,567 0.047,568 -0.002,569 0.027,570 -0.16,571 -0.014,572 -0.052,573 0.01,574 -0.122,575 0.022,576 0.078,577 -0.018,578 -0.01,579 -0.037,580 0.084,581 -0.043,582 3.093,583 7.551,584 0.507,585 126.305,586 1.018,587 1.144,588 -4.092,589 16.743,590 0.637,591 4.344,592 4.625,593 4.787,594 4.984,595 5.165,596 5.209,597 5.328,598 5.472,599 5.529,600 5.595,601 11.85,602 0.612,603 1054.37,604 4.344,605 5.872,606 6.678,607 7.528,608 8.359,609 9.212,610 10.056,611 10.914,612 11.766,613 12.626,614 11,615 2,620 11,621 1,622 1,624 9,625 1,627 2,628 12,634 136,635 24,636 1,637 76,638 139,639 45,640 11,641 1,642 5,644 4,645 4,647 1,652 9,654 17,655 23,656 22,658 12,660 11,661 1,662 12,665 63,666 26,667 17,668 28,669 2,670 15,672 1,673 11,675 1,676 1,679 1,680 2,683 3,684 7,685 1,686 2,692 4,693 1,694 2,698 73,699 5,702 15,703 7,705 2,706 7,707 1,711 8.1,714 11,717 40.833,718 22.517,719 16.417,720 7.632,721 1.126,722 1.124,723 0.926,724 25.922,725 10.228,726 4.554,727 4.97,728 5.223,729 5.53,730 5.905,731 5.798,732 5.973,733 6.25,734 6.362,735 6.422,736 0.857,737 108,738 27.957,739 12.55,740 8.231,741 49.942,742 40.244,743 2.731,744 199.333,748 541.471,749 238.275,750 327.257,752 276.594,754 60.363,755 177.912,756 818.065,757 327.257,759 327.147,760 66.334,761 368.673,762 41.252,763 1.899,764 578.292,766 541.471,767 505.168,768 276.594,769 60.363,770 376.675,771 441.39,773 362.028,774 126.355,775 16.786,776 60.363,777 541.471,778 603.851,779 238.275,781 541.471,782 153.847,783 87.553,784 126.075,785 474.651,786 541.471,787 603.851,788 238.275,789 0.571,790 0.308,791 0.159,792 0.092,793 34,794 22,795 0.137,796 19,798 1,799 6.597,800 896.275,802 37,803 445.857,804 2,806 60.232,807 31.417,808 21.583,810 603.851,811 14.979,812 4.104,814 1.186,815 290.561,816 1383.6,817 94,819 147.645,820 3.881,821 -9.47,822 138.487,823 155.583,824 0.251,825 0.514,826 0.715,827 0.866,828 0.929,829 0.944,830 5.799,831 2.429,832 6.653,833 7.891,834 5.313,835 5.659,836 4.305,837 7.401,838 5.273,839 6.951,840 2.365,841 8.18,842 6.82,843 4.89,844 5.394,845 3.814,846 8.202,847 4.874,848 8.218,849 2.235,850 9.806,851 6.678,852 6.849,853 7.531,854 5.354,855 11.269,856 6.771,857 9.506,858 2.209,859 11.492,860 5.907,861 7.209,862 7.984,863 5.452,864 12.901,865 7.149,866 10.822,867 2.196,868 13.216,869 5.752,870 8.651,871 9.652,872 6.55,873 15.493,874 8.536,875 12.154,876 2.171,877 14.968,878 5.21,879 9.376,880 10.41,881 6.909,882 17.487,883 9.264,884 13.499,885 2.076,886 16.74,887 5.167,888 10.61,889 11.9,890 7.808,891 19.91,892 10.452,893 3.158,894 1.916,895 18.528,896 5.155,897 11.519,898 12.807,899 8.305,900 22.078,901 11.349,902 2.978,903 10.878,904 20.329,905 4.955,906 12.664,907 14.216,908 9.102,909 24.442,910 12.456,911 2.9,912 9.347,913 22.14,914 3.485,915 13.668,916 15.207,917 9.675,918 26.698,919 13.437,920 2.815,921 9.098,922 23.96,923 3.464,924 14.78,925 16.572,926 10.416,927 29.047,928 14.514,929 2.761,930 8.798,931 25.786,932 3.435,933 15.832,934 17.62,935 11.032,936 31.351,937 15.538,938 2.64,939 8.601,940 27.619,941 3.267,942 16.935,943 18.956,944 11.743,945 33.701,946 16.606,947 2.516,948 8.22,949 29.458,950 3.183,951 18.014,952 20.045,953 12.384,954 36.034,955 17.653,956 112006,957 203258,958 48.43,959 86.654,960 112.592,961 121.178,962 114.734,963 110.771,964 110.777,965 132.044,966 49.775,967 301.526,968 108.637,969 5.278,970 5.998,971 6.534,972 5.22,973 5.158,974 6.485,975 3.536,976 18.265,977 5.045,978 51.304,979 1.481,980 1.594,981 1.51,982 1.458,983 1.458,984 1.737,985 0.655,986 3.967,987 1.429,988 4.018,989 4.063,990 4.171,991 3.897,992 7.456,993 3.896,994 3.921,995 3.965,996 3.921,997 3.812,998 7.436,999 3.811,1000 3.893,1001 3.932,1002 3.842,1003 3.767,1004 7.435,1005 3.776,1006 3.838,1007 3.882,1008 3.823,1009 3.661,1010 7.433,1011 3.676,1012 3.793,1013 3.85,1014 3.762,1015 3.624,1016 7.43,1017 3.625,1018 3.734,1019 3.78,1020 3.702,1021 3.594,1022 7.429,1023 3.566,1024 3.711,1025 3.755,1026 3.658,1027 3.546,1028 7.427,1029 3.553,1030 3.638,1031 3.711,1032 3.602,1033 3.469,1034 7.425,1035 3.454,1036 0.056,1037 0.053,1038 0.089,1039 0.054,1040 0.042,1041 4.278,1042 0.046,1043 3.998,1044 0.027,1045 6.732,1046 0.143,1047 4.124,1048 0.04,1049 3.158,1050 3.485,1051 2.025,1052 10.878,1053 3.045,1054 1.928,1055 1.898,1056 2.058,1057 2.044,1058 1.291,1059 2.044,1060 1.876,1061 1.839,1062 2.002,1063 2.001,1064 1.262,1065 2.004,1066 1.778,1067 1.734,1068 1.965,1069 1.99,1070 1.223,1071 1.977,1072 1.767,1073 1.717,1074 1.937,1075 1.975,1076 1.214,1077 1.965,1078 1.699,1079 1.657,1080 1.858,1081 1.909,1082 1.199,1083 1.898,1084 1.65,1085 1.61,1086 1.855,1087 1.855,1088 1.153,1089 1.845,1090 1.617,1091 1.568,1092 1.805,1093 1.84,1094 1.088,1095 1.826,1096 1.587,1097 1.533,1098 1.769,1099 1.825,1100 1.057,1101 1.803,1102 5.03,1104 6.323,1105 2.398,1106 7.769,1107 4.595,1108 9.291,1109 6.605,1110 10.859,1114 27.004,1116 -1.612,1117 17.96,1119 2.218,1120 -9.775,1121 1.214,1123 83.201,1124 241.536,1125 495.238,1126 689.19,1127 834.346,1128 895.14,1129 909.895,1130 519.589,1131 9.102,1132 430.57,1133 481.17,1134 37,1135 13.179,1136 4.644,1137 4.248,1138 193.449,1139 535,1140 589,1141 0.173,1142 528.294,1143 967.01,1144 1280.8,1145 157354,1147 53.45,1148 0.732,1149 0.569,1150 54.158,1151 41.513,1152 34.802,1153 0.458,1154 0.339,1155 23.05,1156 32.248,1157 22.556,1158 18.535,1159 35.927,1160 25.765,1161 31.429,1162 0.311,1163 0.195,1164 32.634,1165 19.663,1166 23.064,1167 0.194,1168 0.115,1169 24.232,1170 13.694,1171 17.963,1172 0.124,1173 0.068,1174 19.237,1175 9.815,1176 14.516,1177 0.083,1178 0.039,1179 15.844,1180 6.757,1181 0.273,1182 230.999,1183 0.144,1184 56.706,1185 0.472,1186 354,1187 1256.64,1188 441.442,1189 1226.72,1190 1566.63,1191 1128,1192 397,1193 1022.37,1194 478.787,1195 1045.4,1196 1493.44,1197 981,1198 6.951} {0 CHEMBL567176,1 1.61,2 14.861,3 6.261,4 39.194,5 152.423,6 7.775,7 0.425,8 4.329,9 4.44,10 4.081,11 3.968,12 5.238,13 3.88,14 4.932,15 5.103,16 4.421,17 4.4,18 5.968,19 4.282,20 5.257,21 5.482,22 4.483,23 4.565,24 6.118,25 4.405,26 5.36,27 5.595,28 4.442,29 4.581,30 6.292,31 4.417,32 5.39,33 5.636,34 4.438,35 4.585,36 6.321,37 4.421,38 5.346,39 5.581,40 4.395,41 4.572,42 6.312,43 4.41,44 5.311,45 5.563,46 4.24,47 4.539,48 6.106,49 4.349,50 5.278,51 5.553,52 4.219,53 4.465,54 6.003,55 4.258,56 0.099,57 1.02,58 18.135,59 7.407,60 14.239,61 9.359,62 0.382,63 1.769,64 33.106,65 12.971,66 53.71,67 16.649,68 0.363,69 2.33,70 56.022,71 19.119,72 47.39,73 23.867,74 0.523,75 2.472,76 62.132,77 21.095,78 71.725,79 25.769,80 0.618,81 2.446,82 65.344,83 22.082,84 89.86,85 26.916,86 0.707,87 2.363,88 60.085,89 20.717,90 103.144,91 26.158,92 0.486,93 2.337,94 53.265,95 19.718,96 58.656,97 26.276,98 0.321,99 2.195,100 55.43,101 19.818,102 41.806,103 26.182,104 10,105 56,106 0.252,107 0.534,108 0.728,109 0.847,110 0.864,111 0.864,112 3.615,113 1.167,114 -5.55,115 -5.42,116 -5.06,117 40,119 6,123 4,124 2,126 10,127 1,128 3,132 1,133 1,139 10,140 3,141 7,145 2,147 14,151 11,155 2,157 11,160 15,162 1,164 1,166 8,168 1,169 9,175 19,178 6,182 1,184 21,186 2,187 6,191 1,193 13,197 5,203 8,207 7,209 1,211 1,213 10,216 2740,217 24.548,218 24.548,219 24.548,220 24.548,221 24.548,222 22.184,223 33.55,224 14.573,225 25.271,226 19.76,227 19.76,228 19.76,229 19.76,230 19.76,231 16.249,232 52.082,233 6.934,234 21.022,235 4.519,236 2.711,237 1.467,238 0.707,239 0.6,240 0.6,241 4.322,242 1,245 1178,246 3.937,249 113.154,250 435.201,252 180.202,253 2.051,254 35.426,256 0.5,257 0.83,258 0.67,259 0.7,260 0.5,261 0.83,262 1,263 0.72,264 75.833,265 535,266 4.978,267 4.735,268 7.801,269 4.531,270 3.6,271 4.785,272 0.8,273 14.344,274 3.338,275 4.231,276 3.247,277 6.489,278 3.843,279 2.882,280 3.826,281 0.657,282 9.859,283 2.757,284 3.927,285 2.925,286 5.726,287 3.625,288 2.68,289 3.48,290 0.4,291 7.482,292 2.536,293 3.84,294 2.895,295 5.51,296 3.431,297 2.522,298 3.396,300 7.421,301 2.312,302 3.649,303 2.77,304 5.347,305 3.369,306 2.425,307 2.658,309 6.986,310 2.264,311 3.446,312 2.516,313 5.152,314 3.237,315 2.293,316 2.561,318 6.314,319 2.119,320 3.202,321 2.39,322 5.102,323 3.096,324 2.164,325 2.25,327 6.243,328 2.006,329 3.065,330 1.985,331 4.892,332 2.714,333 1.757,334 2.193,336 5.129,337 1.652,338 2.926,339 1.644,340 4.494,341 2.493,342 1.51,343 2.069,345 4.197,346 1.464,347 2.853,348 1.483,349 3.722,350 2.38,351 1.402,352 1.974,354 3.075,355 1.341,356 2.65,357 1.452,358 3.575,359 2.262,360 1.31,361 1.7,363 2.823,364 1.237,365 2.5,366 1.22,367 3.531,368 2.127,369 1.147,370 1.5,372 2.549,373 1.12,374 2.202,375 1.077,376 3.417,377 2,378 1,379 1.193,381 2.275,382 1,383 2.118,384 1,385 3.414,386 1.984,387 1,388 1,390 2.275,391 0.983,392 2.01,393 0.852,394 3.414,395 1.729,396 0.744,397 0.927,399 1.804,400 0.731,401 18.248,402 0.507,403 0.841,404 0.023,405 42,406 1.167,407 19.5,408 0.542,409 22.5,410 0.625,411 39.696,412 1.103,413 39.352,414 0.562,415 31.03,416 0.862,417 7.335,418 0.204,419 10.168,420 0.282,421 0.076,422 0.046,423 0.236,425 0.537,426 1.301,427 0.744,428 1.075,429 0.608,430 0.968,431 0.746,432 1.141,433 0.822,434 0.93,435 0.523,436 0.993,437 0.969,438 1.13,439 1.034,440 1.078,441 0.701,442 1.011,443 1.287,444 1.02,445 1.023,446 1.039,447 1.286,448 1.002,449 1.33,450 0.866,451 0.817,452 0.872,453 1.647,454 0.883,455 1.043,456 0.983,457 0.886,458 0.985,459 1.277,460 0.998,461 0.708,462 1.046,463 0.8,464 0.951,465 0.745,466 1.064,467 0.625,468 1.01,469 0.81,470 0.917,471 0.47,472 0.975,473 7,474 0.127,475 4.444,476 2.472,477 2.294,478 1.337,479 0.573,480 0.536,481 0.485,482 0.247,483 21903,484 55440,485 2.13,486 48.6,487 2,488 20,489 1,491 1,493 6,494 4,495 1.772,496 2.028,497 3.761,498 -0.383,500 112.715,501 1.61,502 3.419,503 4.662,504 5.422,505 5.529,506 5.529,507 3.243,508 4.725,509 5.135,510 4.008,511 2525.18,512 9.02,513 41421.5,516 429.05,517 1.355,518 5.112,519 0.175,520 0.004,521 0.079,522 0.043,523 0.042,524 0.024,525 0.011,526 0.012,527 0.012,528 0.007,529 0.408,530 0.17,531 0.63,532 0.442,533 198.655,534 0.118,535 -0.122,536 0.142,537 -0.026,538 -0.093,539 0.032,540 0.172,541 -0.011,542 0.027,543 0.021,544 0.234,545 -0.039,546 -0.045,547 -0.069,548 -0.036,549 -0.064,550 0.063,551 -0.034,552 -0.094,553 -0.002,554 -0.07,555 -0.053,556 0.011,557 -0.043,558 -0.086,559 0.093,560 0.042,561 0.083,562 -0.076,563 0.078,564 0.049,565 -0.021,566 -0.023,567 -0.043,568 0.02,569 -0.028,570 0.03,571 -0.079,572 -0.038,573 -0.06,574 -0.046,575 -0.092,576 0.047,577 -0.074,578 0.062,579 -0.004,580 0.041,581 0.015,582 4.592,583 6.786,584 0.75,585 46.025,586 0.994,587 1.119,588 4.32,589 18.665,590 0.689,591 3.714,592 4.043,593 4.317,594 4.575,595 4.796,596 4.852,597 4.942,598 5.069,599 5.17,600 5.182,601 8.549,602 0.63,603 544.24,604 3.714,605 5.263,606 6.116,607 6.999,608 7.872,609 8.764,610 9.647,611 10.546,612 11.437,613 12.341,614 4.3,616 1,617 1,619 1,624 11,626 1,627 5,628 17,633 1,634 70,635 19,636 2,637 40,638 74,639 28,640 16,641 4,642 8,644 5,645 6,646 1,652 6,654 8,655 16,656 12,658 2,659 1,660 2,665 34,666 5,667 1,668 8,669 3,670 3,672 0.8,673 2,679 1,680 4,682 1,687 1,688 1,692 4,694 2,696 1,698 36,700 1,702 10,703 1,706 2,707 2,709 1,710 1,711 2.9,714 2,717 17.75,718 12.043,719 7.833,720 4.479,721 2.568,722 1.31,723 1,724 8.567,725 10.85,726 3.942,727 4.503,728 4.979,729 5.467,730 5.851,731 5.996,732 6.21,733 6.436,734 6.681,735 6.821,736 0.9,737 57,738 13.704,739 6.163,740 7.593,741 26.627,742 23.13,743 2.093,744 75.361,748 388.446,749 175.479,750 22.654,751 39.149,752 44.313,754 37.085,755 138.394,756 471.908,757 22.654,759 23.63,760 126.23,761 44.313,762 15.637,763 13.13,764 407.953,765 39.149,766 388.446,767 161.047,768 44.313,769 76.234,770 270.735,771 162.024,773 44.765,774 116.282,775 44.956,776 31.278,777 388.446,778 66.967,779 214.627,780 5.807,781 388.446,782 67.26,783 107.054,784 18.011,785 83.462,786 388.446,787 66.967,788 214.627,789 0.582,790 0.339,791 0.182,792 0.099,793 27,794 11,795 0.122,796 9,797 1,798 1.074,799 4.733,800 345.339,801 0.074,802 27,803 173.362,804 1,805 1,806 26.027,807 11.85,808 6.29,810 66.967,811 20.876,813 1.808,814 4.148,815 18.011,816 670.04,817 50.5,818 -3.675,819 27.571,822 69.574,823 78.341,824 0.263,825 0.558,826 0.761,827 0.885,828 0.902,829 0.902,830 5.194,831 1.757,832 6.111,833 6.243,834 4.727,835 5.19,836 1.145,837 6.957,838 4.61,839 6.386,840 1.51,841 7.694,842 5.129,843 4.369,844 5.103,845 0.325,846 8.162,847 4.124,848 7.708,849 1.402,850 9.399,851 4.197,852 6.378,853 7.389,854 0.634,855 11.283,856 6.134,857 9.075,858 1.31,859 11.189,860 3.075,861 6.909,862 8.223,863 0.268,864 13.444,865 6.531,866 10.488,867 1.147,868 13.039,869 2.823,870 8.391,871 10.005,872 0.364,873 16.207,874 8.003,875 11.937,876 1,877 14.936,878 2.549,879 9.33,880 11.243,881 0.188,882 18.707,883 8.821,884 13.414,885 1,886 16.868,887 2.275,888 10.64,889 12.862,890 0.215,891 21.391,892 10.094,893 3.6,894 0.744,895 18.827,896 2.275,897 11.765,898 14.278,899 0.125,900 24,901 11.115,902 2.882,903 14.344,904 20.808,905 1.804,906 13.029,907 15.847,908 0.129,909 26.667,910 12.321,911 2.68,912 9.859,913 22.806,914 4.785,915 14.237,916 17.341,917 0.082,918 29.311,919 13.437,920 2.522,921 7.482,922 24.816,923 3.826,924 15.496,925 18.897,926 0.079,927 31.974,928 14.627,929 2.425,930 7.421,931 26.836,932 3.48,933 16.741,934 20.427,935 0.054,936 34.63,937 15.787,938 2.293,939 6.986,940 28.864,941 3.396,942 18.005,943 21.983,944 0.048,945 37.293,946 16.976,947 2.164,948 6.314,949 30.897,950 2.658,951 19.267,952 23.53,953 0.035,954 39.953,955 18.157,956 20292,957 32563,958 27.216,959 48.262,960 59.68,961 60.583,962 60.419,963 59.82,964 59.59,965 74.461,966 3.715,967 171.821,968 56.108,969 5.978,970 6.735,971 7.485,972 5.609,973 5.6,974 7.785,975 1.457,976 22.83,977 5.338,978 13.82,979 1.492,980 1.515,981 1.51,982 1.495,983 1.49,984 1.862,985 0.093,986 4.296,987 1.403,988 4.138,989 4.136,990 4.746,991 4.109,992 7.715,993 4.038,994 3.926,995 3.971,996 4.217,997 3.917,998 6.999,999 3.848,1000 3.902,1001 3.923,1002 3.932,1003 3.862,1004 4.929,1005 3.833,1006 3.817,1007 3.847,1008 3.867,1009 3.708,1010 4.742,1011 3.698,1012 3.655,1013 3.701,1014 3.748,1015 3.574,1016 4.681,1017 3.537,1018 3.559,1019 3.548,1020 3.49,1021 3.476,1022 4.383,1023 3.41,1024 3.394,1025 3.455,1026 3.254,1027 3.245,1028 4.26,1029 3.228,1030 3.214,1031 3.305,1032 3.155,1033 3.003,1034 4.147,1035 3.001,1036 0.124,1037 0.118,1038 0.195,1039 0.113,1040 0.09,1041 4.978,1042 0.12,1043 4.735,1044 0.02,1045 7.801,1046 0.359,1047 4.531,1048 0.083,1049 3.6,1050 4.785,1051 0.8,1052 14.344,1053 3.338,1054 2.024,1055 2.02,1056 2.107,1057 2.117,1058 1.464,1059 2.141,1060 1.897,1061 1.881,1062 2.051,1063 2.04,1064 1.404,1065 2.052,1066 1.852,1067 1.79,1068 1.947,1069 1.956,1070 1.172,1071 1.985,1072 1.67,1073 1.62,1074 1.887,1075 1.819,1076 1.132,1077 1.845,1078 1.56,1079 1.523,1080 1.735,1081 1.7,1082 0.963,1083 1.722,1084 1.431,1085 1.429,1086 1.674,1087 1.586,1088 0.903,1089 1.622,1090 1.387,1091 1.382,1092 1.517,1093 1.501,1094 0.825,1095 1.551,1096 1.355,1097 1.318,1098 1.513,1099 1.484,1100 0.701,1101 1.536,1102 4.394,1104 5.72,1105 2.398,1106 7.245,1107 4.443,1108 8.865,1109 6.26,1110 10.542,1112 6.033,1116 10.12,1117 3.705,1120 0.545,1121 4.23,1123 44.124,1124 112.715,1125 239.305,1126 326.347,1127 379.54,1128 387.05,1129 387.05,1130 75.059,1131 8.283,1132 52.65,1133 89.27,1134 29,1135 12.863,1136 4.322,1137 3.524,1138 54.674,1139 179,1140 210,1141 0.142,1142 277.94,1143 480.15,1144 669.934,1145 56199,1146 1.4,1147 24.96,1148 0.693,1149 0.635,1150 26.063,1151 22.871,1152 17.503,1153 0.438,1154 0.389,1155 12.996,1156 15.568,1157 12.503,1158 10.269,1159 19.035,1160 15.563,1161 15.895,1162 0.284,1163 0.234,1164 18.195,1165 13.078,1166 13.384,1167 0.181,1168 0.141,1169 15.633,1170 10.431,1171 11.032,1172 0.115,1173 0.083,1174 13.127,1175 7.979,1176 8.795,1177 0.073,1178 0.05,1179 10.581,1180 6.013,1181 0.228,1182 123.167,1183 0.192,1184 33.45,1185 0.374,1186 192,1187 473.018,1188 280.88,1189 533.873,1190 722.67,1191 496,1192 226,1193 465.874,1194 315.75,1195 534.213,1196 783.74,1197 504,1198 5.557} {0 CHEMBL572709,1 1.581,2 16.048,3 5.21,4 27.144,5 166.84,6 7.126,7 0.261,8 4.545,9 4.653,10 4.262,11 4.093,12 5.432,13 4.021,14 5.184,15 5.361,16 4.554,17 4.53,18 6.283,19 4.431,20 5.51,21 5.731,22 4.714,23 4.758,24 6.401,25 4.619,26 5.644,27 5.864,28 4.739,29 4.8,30 6.691,31 4.655,32 5.66,33 5.894,34 4.711,35 4.785,36 6.682,37 4.64,38 5.624,39 5.844,40 4.727,41 4.761,42 6.661,43 4.632,44 5.607,45 5.829,46 4.684,47 4.777,48 6.757,49 4.636,50 5.657,51 5.912,52 4.596,53 4.749,54 6.565,55 4.581,56 0.136,57 1.285,58 26.845,59 9.502,60 24.798,61 12.093,62 0.691,63 2.148,64 45.888,65 16.42,66 98.662,67 21.266,68 0.524,69 2.836,70 70.533,71 23.351,72 71.411,73 29.663,74 1.179,75 3.043,76 83.195,77 25.753,78 148.955,79 32.252,80 1.047,81 2.987,82 87.165,83 26.513,84 156.583,85 32.929,86 1.382,87 2.87,88 78.781,89 24.09,90 180.139,91 30.911,92 1.093,93 2.918,94 73.457,95 24.749,96 209.864,97 32.133,98 0.837,99 2.954,100 81.466,101 25.685,102 121.483,103 33.247,104 41,105 66,106 0.237,107 0.482,108 0.704,109 0.828,110 0.844,111 0.855,112 3.765,113 1.196,114 -3.99,115 -3.95,116 -3.74,117 35.6,119 10,120 1,122 2,123 4,124 2,126 7,127 1,128 4,139 13,140 6,141 9,145 3,147 15,151 11,155 2,157 10,159 4,160 20,162 1,164 2,166 7,168 3,169 9,173 1,175 13,177 3,178 10,180 2,184 16,186 6,187 13,191 1,193 11,197 18,203 4,206 3,207 21,209 1,211 1,213 5,216 4032,217 28.313,218 28.313,219 28.313,220 28.313,221 28.313,222 26.306,223 38.11,224 16.48,225 29.112,226 22.559,227 22.559,228 22.559,229 22.559,230 22.559,231 19.214,232 59.237,233 7.619,234 23.678,235 4.862,236 3.234,237 1.753,238 0.931,239 0.822,240 0.753,241 4.465,244 1,245 1459,246 4.796,250 675.745,252 214.69,253 2.29,254 64.634,256 0.75,257 0.5,258 0.67,259 0.9,260 1,261 0.67,262 0.5,263 0.71,264 91.5,265 674,266 5.004,267 4.758,268 7.843,269 4.555,270 3.626,271 4.821,272 0.86,273 14.542,274 3.353,275 4.792,276 4.513,277 7.293,278 4.305,279 3.375,280 4.555,281 0.86,282 12.407,283 3.118,284 4.271,285 3.267,286 6.592,287 3.906,288 2.948,289 3.858,290 0.4,291 10.237,292 2.813,293 4.011,294 2.916,295 5.918,296 3.57,297 2.593,298 3.602,299 0.4,300 8.15,301 2.539,302 3.603,303 2.767,304 5.541,305 3.553,306 2.59,307 2.709,308 0.4,309 7.227,310 2.49,311 3.478,312 2.571,313 5.433,314 3.391,315 2.41,316 2.606,318 7.126,319 2.355,320 3.425,321 2.516,322 5.269,323 3.251,324 2.285,325 2.453,327 6.754,328 2.201,329 3.326,330 2.434,331 5.159,332 2.981,333 2.051,334 2.424,336 6.082,337 1.896,338 2.948,339 2.211,340 4.835,341 2.631,342 1.698,343 2.091,345 4.986,346 1.606,347 2.863,348 1.93,349 4.72,350 2.62,351 1.656,352 1.983,354 4.716,355 1.568,356 2.785,357 1.539,358 4.28,359 2.466,360 1.478,361 1.874,363 3.492,364 1.453,365 2.773,366 1.518,367 3.701,368 2.418,369 1.429,370 1.777,372 3.143,373 1.409,374 2.482,375 1.429,376 3.64,377 2.281,378 1.305,379 1.481,381 3.039,382 1.269,383 2.016,384 1.087,385 3.568,386 2,387 1,388 1,390 2.275,391 1,392 2,393 1.077,394 3.414,395 1.984,396 1,397 1,399 2.136,400 0.983,401 20.367,402 0.485,403 1.12,404 0.027,405 46,406 1.095,407 19.5,408 0.464,409 26.5,410 0.631,411 51.965,412 1.237,413 49.233,414 0.566,415 40.907,416 0.974,417 7.677,418 0.183,419 12.547,420 0.299,421 0.115,422 0.082,423 0.236,425 0.565,426 1.518,427 0.891,428 1.405,429 0.622,430 1.133,431 0.799,432 1.153,433 0.942,434 1.016,435 0.535,436 1.025,437 0.913,438 1.144,439 1.101,440 1.132,441 0.799,442 1.008,443 1.138,444 1.066,445 1.243,446 1.15,447 1.317,448 1.041,449 1.217,450 0.981,451 1.122,452 1.056,453 1.536,454 0.952,455 1.266,456 0.95,457 1.019,458 0.966,459 1.513,460 0.963,461 0.884,462 1.099,463 1,464 1.065,465 0.82,466 1.06,467 1.074,468 1.003,469 1.044,470 1.019,471 1.007,472 0.97,473 9.5,474 0.28,475 6,476 3.625,477 3.071,478 2.146,479 1.18,480 0.944,481 0.866,482 0.498,483 30294,484 68398,485 2.062,486 51.7,487 12,488 23,491 1,493 3,494 6,495 1.813,496 1.924,497 3.856,498 -0.361,500 137.558,501 1.581,502 3.209,503 4.69,504 5.512,505 5.621,506 5.69,507 3.387,508 4.803,509 5.356,510 4.083,511 3515.65,512 9.483,513 62726.9,516 560.536,517 1.565,518 5.311,519 0.207,520 0.006,521 0.091,522 0.05,523 0.043,524 0.03,525 0.017,526 0.013,527 0.014,528 0.009,529 0.479,530 0.33,531 0.5,532 0.739,533 240.585,534 0.125,535 -0.196,536 0.259,537 -0.1,538 -0.096,539 0.014,540 0.168,541 0.013,542 0.052,543 0.045,544 0.246,545 0.003,546 -0.045,547 -0.038,548 0.031,549 -0.013,550 0.009,551 0.019,552 0.019,553 -0.005,554 -0.064,555 -0.048,556 -0.009,557 -0.047,558 -0.062,559 0.024,560 0.009,561 0.01,562 -0.084,563 0.038,565 0.053,566 0.026,567 0.041,568 -0.103,569 0.011,570 0.137,571 -0.072,572 -0.003,573 -0.053,574 0.263,575 -0.061,576 -0.075,577 -0.02,578 0.011,579 -0.005,580 -0.026,581 0.014,582 4.989,583 7.216,584 0.667,585 58,586 1,587 1.13,588 2.765,589 7.644,590 0.644,591 3.85,592 4.205,593 4.489,594 4.745,595 4.997,596 5.075,597 5.215,598 5.288,599 5.438,600 5.46,601 8.966,602 0.595,603 619.93,604 3.85,605 5.416,606 6.279,607 7.177,608 8.061,609 8.967,610 9.861,611 10.773,612 11.673,613 12.59,614 3.4,616 1,617 1,619 1,624 7,627 5,628 12,632 2,634 87,635 16,636 2,637 46,638 91,639 31,640 12,641 5,642 7,644 5,645 6,652 11,653 1,654 12,655 12,656 19,657 1,658 4,659 2,660 4,665 45,666 9,667 1,668 11,669 2,670 3,672 0.8,673 6,680 5,682 1,687 1,692 4,694 2,695 2,698 42,700 2,702 14,703 1,704 2,706 3,707 2,711 6.9,714 4,716 2,717 21.833,718 15.567,719 9.236,720 5.606,721 2.187,722 1.254,723 0.967,724 10.423,725 10.814,726 4.043,727 4.615,728 5.043,729 5.514,730 5.969,731 6.157,732 6.443,733 6.605,734 6.891,735 7.058,736 0.909,737 73,738 16.403,739 7.712,740 7.754,741 30.982,742 27.083,743 2.254,744 94.667,748 517.928,749 150.257,750 21.048,752 110.626,754 11.615,755 138.642,756 628.554,757 21.048,758 21.766,759 32.562,760 95.959,761 88.626,762 43.017,764 517.928,766 517.928,767 159.69,768 110.626,769 11.615,770 411.989,771 216.566,773 52.091,774 107.598,775 11.615,777 517.928,778 131.674,779 150.257,780 11.615,781 517.928,782 50.542,783 91.137,784 18.011,785 110.626,786 517.928,787 131.674,788 150.257,789 0.586,790 0.35,791 0.186,792 0.104,793 31,794 14,795 0.121,796 11,797 1,798 1.071,799 4.964,800 436.972,801 0.071,802 28,803 214.477,805 2,806 31.589,807 13.858,808 7.293,810 131.674,811 12.087,814 2.215,815 18.011,816 799.859,817 56,818 -7.603,819 55.406,822 86.978,823 98.311,824 0.245,825 0.498,826 0.728,827 0.855,828 0.872,829 0.883,830 5.328,831 2.051,832 6.308,833 6.754,834 4.89,835 5.303,836 1.593,837 7.204,838 4.794,839 6.543,840 1.698,841 7.93,842 6.082,843 4.691,844 5.491,846 8.552,847 4.499,848 7.906,849 1.656,850 9.676,851 4.986,852 6.619,853 7.597,854 1.206,855 11.641,856 6.402,857 9.316,858 1.478,859 11.502,860 4.716,861 7.266,862 8.637,864 13.841,865 6.93,866 10.771,867 1.429,868 13.383,869 3.492,870 8.716,871 10.334,872 0.972,873 16.585,874 8.346,875 12.257,876 1.305,877 15.302,878 3.143,879 9.72,880 11.686,882 19.077,883 9.233,884 13.767,885 1,886 17.248,887 3.039,888 11.02,889 13.272,890 0.789,891 21.745,892 10.479,893 3.626,894 1,895 19.216,896 2.275,897 12.173,898 14.739,900 24.338,901 11.526,902 3.375,903 14.542,904 21.199,905 2.136,906 13.433,907 16.294,908 0.634,909 26.992,910 12.717,911 2.948,912 12.407,913 23.195,914 4.821,915 14.648,916 17.807,918 29.624,919 13.836,920 2.593,921 10.237,922 25.201,923 4.555,924 15.902,925 19.356,926 0.504,927 32.279,928 15.013,929 2.59,930 8.15,931 27.214,932 3.858,933 17.145,934 20.89,936 34.929,937 16.166,938 2.41,939 7.227,940 29.234,941 3.602,942 18.403,943 22.439,944 0.395,945 37.589,946 17.343,947 2.285,948 7.126,949 31.258,950 2.709,951 19.659,952 23.983,954 40.248,955 18.514,956 28596,957 43525,958 30.394,959 56.029,960 68.456,961 71.513,962 71.213,963 68.977,964 69.003,965 83.286,966 5.84,967 205.713,968 65.824,969 6.004,970 6.758,971 7.645,972 5.638,973 5.626,974 7.821,975 1.72,976 23.232,977 5.353,978 21.449,979 1.488,980 1.555,981 1.548,982 1.5,983 1.5,984 1.811,985 0.127,986 4.472,987 1.431,988 4.156,989 4.153,990 4.756,991 4.117,992 7.718,993 4.047,994 4.028,995 4.025,996 4.719,997 3.985,998 7.711,999 3.88,1000 3.911,1001 3.941,1002 3.873,1003 3.851,1004 6.999,1005 3.835,1006 3.888,1007 3.922,1008 3.777,1009 3.783,1010 6.999,1011 3.759,1012 3.714,1013 3.754,1014 3.733,1015 3.598,1016 4.903,1017 3.573,1018 3.632,1019 3.619,1020 3.612,1021 3.536,1022 4.738,1023 3.476,1024 3.483,1025 3.505,1026 3.405,1027 3.373,1028 4.573,1029 3.328,1030 3.326,1031 3.407,1032 3.149,1033 3.15,1034 4.409,1035 3.134,1036 0.109,1037 0.103,1038 0.17,1039 0.099,1040 0.079,1041 5.004,1042 0.105,1043 4.758,1044 0.019,1045 7.843,1046 0.316,1047 4.555,1048 0.073,1049 3.626,1050 4.821,1051 0.86,1052 14.542,1053 3.353,1054 2.025,1055 2.022,1056 2.12,1057 2.122,1058 1.517,1059 2.148,1060 1.916,1061 1.898,1062 2.098,1063 2.071,1064 1.468,1065 2.095,1066 1.893,1067 1.871,1068 2.016,1069 2.009,1070 1.399,1071 2.045,1072 1.864,1073 1.831,1074 1.944,1075 1.98,1076 1.174,1077 1.99,1078 1.689,1079 1.65,1080 1.846,1081 1.824,1082 1.136,1083 1.867,1084 1.504,1085 1.504,1086 1.646,1087 1.667,1088 0.969,1089 1.701,1090 1.382,1091 1.39,1092 1.607,1093 1.586,1094 0.901,1095 1.612,1096 1.331,1097 1.252,1098 1.589,1099 1.543,1100 0.825,1101 1.58,1102 4.533,1104 5.878,1106 7.432,1108 9.079,1110 10.778,1111 2.938,1116 11.58,1117 3.698,1118 10.713,1120 0.604,1121 3.029,1123 51.79,1124 137.558,1125 279.199,1126 408.052,1127 479.517,1128 489.026,1129 495.026,1130 127.473,1131 8.627,1132 105.25,1133 122.01,1134 30,1135 13.104,1136 4.087,1137 3.459,1138 68.924,1139 219,1140 284,1141 0.147,1142 320.224,1143 568.18,1144 773.106,1145 84962,1147 29.744,1148 0.708,1149 0.63,1150 30.244,1151 26.466,1152 20.224,1153 0.44,1154 0.399,1155 15.34,1156 17.919,1157 14.733,1158 12.16,1159 21.834,1160 18.332,1161 18.581,1162 0.282,1163 0.238,1164 21.168,1165 15.701,1166 15.672,1167 0.178,1168 0.148,1169 18.086,1170 13.001,1171 12.859,1172 0.113,1173 0.09,1174 15.235,1175 10.215,1176 10.611,1177 0.072,1178 0.055,1179 12.784,1180 8.145,1181 0.235,1182 143.156,1183 0.181,1184 37.478,1185 0.397,1186 224,1187 627.757,1188 322.023,1189 630.714,1190 851.07,1191 582,1192 266,1193 563.937,1194 384.722,1195 638.517,1196 935.17,1197 597,1198 7.796} {0 CHEMBL572754,1 1.622,2 16.048,3 3.441,4 11.837,5 164.388,6 7.316,7 0.261,8 4.532,9 4.634,10 4.269,11 4.061,12 5.445,13 4.001,14 5.169,15 5.337,16 4.558,17 4.49,18 6.296,19 4.407,20 5.472,21 5.68,22 4.714,23 4.722,24 6.396,25 4.597,26 5.614,27 5.825,28 4.74,29 4.778,30 6.684,31 4.641,32 5.651,33 5.882,34 4.713,35 4.769,36 6.687,37 4.63,38 5.605,39 5.819,40 4.728,41 4.745,42 6.656,43 4.622,44 5.597,45 5.816,46 4.688,47 4.757,48 6.76,49 4.623,50 5.644,51 5.895,52 4.601,53 4.716,54 6.574,55 4.559,56 0.153,57 1.254,58 25.753,59 9.198,60 26.283,61 11.456,62 0.822,63 2.072,64 44.873,65 15.682,66 103.543,67 19.868,68 0.688,69 2.721,70 67.95,71 22.182,72 77.847,73 27.664,74 1.292,75 2.956,76 80.74,77 24.9,78 153.601,79 30.837,80 1.268,81 2.929,82 86.99,83 26.086,84 168.205,85 32.215,86 1.481,87 2.803,88 77.142,89 23.692,90 186.838,91 30.098,92 1.216,93 2.862,94 72.637,95 24.254,96 212.826,97 31.294,98 1.063,99 2.861,100 81.393,101 24.866,102 132.41,103 31.935,104 41,105 66,106 0.245,107 0.511,108 0.744,109 0.836,110 0.843,111 0.854,112 3.765,113 1.168,114 -3.07,115 -3.07,116 -2.96,117 35.3,119 7,120 1,122 2,123 6,124 2,126 7,127 1,128 4,139 9,140 6,141 11,145 3,147 10,151 12,155 2,157 7,159 4,160 20,162 1,166 7,168 3,169 9,171 1,175 13,177 3,178 10,180 2,184 12,186 6,187 15,191 1,193 9,197 16,203 4,206 4,207 20,209 1,211 1,213 5,216 4032,217 28.313,218 28.313,219 28.313,220 28.313,221 28.313,222 26.306,223 42.424,224 16.48,225 29.265,226 22.559,227 22.559,228 22.559,229 22.559,230 22.559,231 19.214,232 62.725,233 7.619,234 23.889,235 4.788,236 3.025,237 1.479,238 0.865,239 0.818,240 0.747,241 4.465,244 1,245 1459,246 4.796,250 675.745,252 214.69,253 2.29,254 68.311,256 0.75,257 0.5,258 0.67,259 0.9,260 1,261 0.67,262 0.5,263 0.71,264 92.5,265 674,266 5.004,267 4.758,268 7.843,269 4.555,270 3.626,271 4.821,272 0.86,273 14.542,274 3.353,275 4.792,276 4.513,277 7.293,278 4.305,279 3.375,280 4.555,281 0.86,282 12.407,283 3.118,284 4.271,285 3.267,286 6.592,287 3.906,288 2.948,289 3.858,290 0.86,291 10.237,292 2.813,293 4.011,294 2.916,295 5.918,296 3.565,297 2.593,298 3.602,299 0.4,300 8.15,301 2.521,302 3.603,303 2.778,304 5.541,305 3.553,306 2.59,307 2.709,308 0.4,309 7.227,310 2.49,311 3.478,312 2.616,313 5.433,314 3.385,315 2.41,316 2.606,317 0.4,318 7.126,319 2.344,320 3.425,321 2.568,322 5.269,323 3.251,324 2.285,325 2.453,327 6.754,328 2.201,329 3.326,330 2.44,331 5.159,332 2.981,333 2.051,334 2.424,336 6.082,337 1.896,338 2.948,339 2.264,340 4.835,341 2.631,342 1.698,343 2.091,345 4.986,346 1.606,347 2.863,348 2.003,349 4.72,350 2.608,351 1.656,352 1.983,354 4.716,355 1.54,356 2.785,357 1.928,358 4.28,359 2.424,360 1.478,361 1.874,363 3.492,364 1.415,365 2.773,366 1.537,367 3.701,368 2.352,369 1.429,370 1.777,372 3.143,373 1.284,374 2.482,375 1.429,376 3.64,377 2.281,378 1.305,379 1.481,381 3.039,382 1.269,383 2.016,384 1.2,385 3.568,386 1.984,387 1,388 1,390 2.275,391 0.983,392 2,393 1.088,394 3.414,395 1.969,396 1,397 1,399 2.136,400 0.963,401 20.2,402 0.481,403 1.12,404 0.027,405 46.5,406 1.107,407 19.5,408 0.464,409 27,410 0.643,411 50.452,412 1.201,413 49.4,414 0.581,415 42.42,416 1.01,417 8.186,418 0.195,419 12.038,420 0.287,421 0.116,422 0.083,423 0.238,425 0.607,426 1.552,427 0.871,428 1.43,429 0.634,430 1.13,431 0.922,432 1.121,433 0.95,434 0.98,435 0.581,436 0.988,437 0.968,438 1.147,439 1.135,440 1.137,441 0.839,442 1.013,443 1.077,444 1.092,445 1.262,446 1.18,447 1.321,448 1.072,449 1.129,450 0.956,451 1.117,452 1.046,453 1.505,454 0.95,455 1.164,456 0.969,457 1.016,458 0.986,459 1.49,460 0.984,461 0.846,462 1.108,463 0.993,464 1.073,465 0.813,466 1.069,467 1.084,468 0.985,469 1.046,470 1.002,471 1.018,472 0.954,473 9.5,474 0.28,475 6,476 3.625,477 3.071,478 2.146,479 1.18,480 0.944,481 0.866,482 0.498,483 30294,484 75686,485 2.062,486 50.6,487 2,488 27,491 1,493 7,494 6,495 1.813,496 1.924,497 3.856,498 -0.337,500 137.856,501 1.622,502 3.385,503 4.931,504 5.545,505 5.592,506 5.662,507 3.387,508 4.803,509 5.356,510 4.083,511 3515.65,512 9.483,513 62726.9,516 544.798,517 1.565,518 5.311,519 0.207,520 0.006,521 0.091,522 0.05,523 0.043,524 0.03,525 0.017,526 0.013,527 0.014,528 0.009,529 0.479,530 0.33,531 0.5,532 0.739,533 240.585,534 0.101,535 -0.227,536 0.257,537 -0.122,538 -0.099,539 0.004,540 0.096,541 0.039,542 0.041,543 0.074,544 0.22,545 0.024,546 -0.086,547 -0.027,548 0.001,549 -0.006,550 -0.011,551 0.014,552 -0.008,553 -0.018,554 -0.091,555 -0.064,556 -0.025,557 -0.071,558 -0.058,559 0.047,560 0.004,561 0.022,562 -0.09,563 0.045,564 -0.014,565 0.035,566 0.016,567 0.03,568 -0.112,570 0.111,571 -0.083,572 -0.006,573 -0.06,574 0.247,575 -0.067,576 -0.094,577 -0.009,578 0.011,579 0.009,580 -0.038,581 0.029,582 4.996,583 7.209,584 0.667,585 58,586 1.005,587 1.131,588 1.844,589 3.4,590 0.644,591 3.85,592 4.205,593 4.489,594 4.745,595 4.997,596 5.075,597 5.215,598 5.288,599 5.438,600 5.46,601 8.966,602 0.6,603 621.9,604 3.85,605 5.416,606 6.279,607 7.177,608 8.061,609 8.967,610 9.861,611 10.773,612 11.673,613 12.59,614 3.5,616 1,617 1,619 1,624 7,627 5,628 12,632 2,634 85,635 16,636 2,637 46,638 89,639 30,640 12,641 5,642 7,644 5,645 6,652 8,653 1,654 9,655 12,656 18,657 1,658 4,659 2,660 4,665 43,666 10,667 1,668 12,669 2,670 3,672 0.8,673 7,680 5,682 1,687 1,691 1,692 4,694 2,695 2,698 42,700 2,702 13,703 1,704 3,706 3,707 2,711 8.2,714 4,715 1,716 2,717 21.833,718 15.233,719 9.236,720 5.272,721 2.187,722 1.254,723 0.963,724 10.392,725 10.814,726 4.043,727 4.615,728 5.043,729 5.514,730 5.969,731 6.157,732 6.443,733 6.605,734 6.891,735 7.058,736 0.909,737 73,738 16.389,739 7.706,740 7.802,741 30.701,742 26.622,743 2.302,744 96.667,748 494.386,749 151.838,750 21.048,752 121.626,754 11.615,755 140.223,756 616.012,757 21.048,758 21.766,759 34.143,760 95.959,761 99.626,762 43.017,764 494.386,766 494.386,767 161.271,768 121.626,769 11.615,770 341.362,771 263.65,772 11,773 53.673,774 107.598,775 11.615,777 494.386,778 142.673,779 151.838,780 11.615,781 494.386,782 52.123,783 91.137,784 18.011,785 121.626,786 494.386,787 142.673,788 151.838,789 0.586,790 0.35,791 0.186,792 0.104,793 31,794 14,795 0.124,796 11,797 1,798 1.071,799 4.964,800 436.972,801 0.071,802 28,803 214.477,805 2,806 31.551,807 13.833,808 7.277,810 142.673,811 12.045,814 2.182,815 18.011,816 788.898,817 56,818 -7.628,819 55.364,822 85.421,823 96.105,824 0.253,825 0.528,826 0.769,827 0.865,828 0.872,829 0.883,830 5.328,831 2.051,832 6.308,833 6.754,834 4.89,835 5.303,836 1.856,837 7.204,838 4.782,839 6.543,840 1.698,841 7.93,842 6.082,843 4.691,844 5.491,846 8.552,847 4.499,848 7.906,849 1.656,850 9.676,851 4.986,852 6.619,853 7.597,854 1.49,855 11.641,856 6.388,857 9.316,858 1.478,859 11.502,860 4.716,861 7.266,862 8.637,864 13.841,865 6.93,866 10.771,867 1.429,868 13.383,869 3.492,870 8.716,871 10.334,872 1.239,873 16.585,874 8.336,875 12.257,876 1.305,877 15.302,878 3.143,879 9.72,880 11.686,882 19.077,883 9.232,884 13.767,885 1,886 17.248,887 3.039,888 11.02,889 13.272,890 1.029,891 21.745,892 10.472,893 3.626,894 1,895 19.216,896 2.275,897 12.173,898 14.739,900 24.338,901 11.524,902 3.375,903 14.542,904 21.199,905 2.136,906 13.433,907 16.294,908 0.845,909 26.992,910 12.712,911 2.948,912 12.407,913 23.195,914 4.821,915 14.648,916 17.807,918 29.624,919 13.834,920 2.593,921 10.237,922 25.201,923 4.555,924 15.902,925 19.356,926 0.684,927 32.279,928 15.01,929 2.59,930 8.15,931 27.214,932 3.858,933 17.145,934 20.89,936 34.929,937 16.165,938 2.41,939 7.227,940 29.234,941 3.602,942 18.403,943 22.439,944 0.546,945 37.589,946 17.341,947 2.285,948 7.126,949 31.258,950 2.709,951 19.659,952 23.983,954 40.248,955 18.513,956 28596,957 45553,958 30.394,959 54.722,960 68.456,961 71.777,962 71.213,963 68.955,964 69.003,965 83.286,966 7.56,967 205.713,968 65.281,969 6.004,970 6.758,971 7.645,972 5.638,973 5.626,974 7.821,975 1.72,976 23.232,977 5.353,978 21.449,979 1.488,980 1.56,981 1.548,982 1.499,983 1.5,984 1.811,985 0.164,986 4.472,987 1.419,988 4.156,989 4.151,990 4.756,991 4.117,992 7.718,993 4.046,994 4.027,995 4.022,996 4.719,997 3.985,998 7.711,999 3.879,1000 3.91,1001 3.93,1002 3.873,1003 3.851,1004 6.999,1005 3.835,1006 3.855,1007 3.892,1008 3.763,1009 3.718,1010 6.999,1011 3.703,1012 3.703,1013 3.742,1014 3.728,1015 3.58,1016 4.904,1017 3.56,1018 3.631,1019 3.616,1020 3.597,1021 3.534,1022 4.738,1023 3.474,1024 3.481,1025 3.501,1026 3.405,1027 3.372,1028 4.616,1029 3.326,1030 3.284,1031 3.343,1032 3.123,1033 3.023,1034 4.573,1035 3.023,1036 0.109,1037 0.103,1038 0.17,1039 0.099,1040 0.079,1041 5.004,1042 0.105,1043 4.758,1044 0.019,1045 7.843,1046 0.316,1047 4.555,1048 0.073,1049 3.626,1050 4.821,1051 0.86,1052 14.542,1053 3.353,1054 2.025,1055 2.022,1056 2.098,1057 2.122,1058 1.474,1059 2.148,1060 1.905,1061 1.897,1062 2.065,1063 2.063,1064 1.432,1065 2.086,1066 1.888,1067 1.868,1068 1.99,1069 1.986,1070 1.376,1071 2.006,1072 1.811,1073 1.772,1074 1.944,1075 1.975,1076 1.172,1077 1.988,1078 1.681,1079 1.64,1080 1.846,1081 1.82,1082 1.135,1083 1.86,1084 1.499,1085 1.502,1086 1.615,1087 1.66,1088 0.908,1089 1.694,1090 1.38,1091 1.388,1092 1.589,1093 1.583,1094 0.825,1095 1.609,1096 1.222,1097 1.144,1098 1.546,1099 1.527,1100 0.825,1101 1.548,1102 4.533,1104 5.878,1106 7.432,1108 9.079,1110 10.778,1111 2.929,1116 8.555,1117 3.642,1118 16.149,1120 0.428,1121 3,1123 50.978,1124 137.856,1125 287.706,1126 419.108,1127 471.288,1128 475.288,1129 481.288,1130 127.808,1131 8.627,1132 114.48,1133 131.24,1134 30,1135 13.104,1136 4.087,1137 3.459,1138 68.924,1139 219,1140 284,1141 0.147,1142 314.628,1143 559.67,1144 759.452,1145 84962,1147 29.744,1148 0.708,1149 0.623,1150 30.244,1151 26.168,1152 20.224,1153 0.44,1154 0.389,1155 14.878,1156 17.771,1157 14.293,1158 11.738,1159 21.834,1160 17.909,1161 18.581,1162 0.282,1163 0.231,1164 21.168,1165 15.253,1166 15.672,1167 0.178,1168 0.143,1169 18.086,1170 12.617,1171 12.859,1172 0.113,1173 0.086,1174 15.235,1175 9.775,1176 10.611,1177 0.072,1178 0.053,1179 12.784,1180 7.739,1181 0.235,1182 144.156,1183 0.181,1184 37.478,1185 0.397,1186 224,1187 671.493,1188 324.901,1189 663.7,1190 890.43,1191 614,1192 266,1193 583.574,1194 387.38,1195 656.133,1196 961.49,1197 613,1198 7.252} {0 CHEMBL572760,1 1.707,2 16.767,3 4.81,4 23.138,5 165.924,6 7.801,7 0.383,8 4.489,9 4.585,10 4.276,11 4.053,12 5.49,13 3.999,14 5.093,15 5.25,16 4.573,17 4.465,18 6.318,19 4.394,20 5.389,21 5.58,22 4.73,23 4.683,24 6.428,25 4.577,26 5.54,27 5.733,28 4.745,29 4.74,30 6.688,31 4.619,32 5.589,33 5.806,34 4.718,35 4.745,36 6.673,37 4.616,38 5.565,39 5.77,40 4.737,41 4.719,42 6.688,43 4.607,44 5.523,45 5.726,46 4.69,47 4.726,48 6.757,49 4.605,50 5.576,51 5.812,52 4.617,53 4.695,54 6.58,55 4.554,56 0.171,57 1.26,58 22.459,59 8.748,60 30.403,61 10.231,62 0.783,63 2.072,64 38.871,65 14.758,66 102.981,67 17.71,68 0.727,69 2.722,70 61.042,71 21.059,72 98.903,73 24.489,74 1.375,75 2.913,76 74.121,77 23.95,78 177.752,79 27.614,80 1.256,81 2.884,82 81.845,83 25.723,84 191.084,85 30.201,86 1.67,87 2.84,88 73.39,89 23.231,90 223.344,91 27.89,92 1.272,93 2.807,94 65.869,95 23.263,96 224.472,97 28.527,98 1.086,99 2.885,100 74.804,101 24.462,102 149.579,103 29.972,104 54,105 68,106 0.258,107 0.536,108 0.745,109 0.839,110 0.851,111 0.862,112 3.788,113 1.115,114 -3.88,115 -3.83,116 -3.64,117 38.3,119 5,122 2,123 4,124 2,126 11,127 2,128 5,139 11,140 6,141 9,145 3,147 13,151 11,155 2,157 9,159 4,160 20,162 1,164 2,166 7,168 3,169 9,175 13,177 3,178 10,180 2,184 16,186 6,187 13,191 1,193 9,197 18,203 4,206 3,207 20,209 1,211 1,213 5,216 4301,217 28.761,218 28.761,219 28.761,220 28.761,221 28.761,222 25.978,223 41.544,224 16.566,225 29.622,226 23.025,227 23.025,228 23.025,229 23.025,230 23.025,231 18.575,232 63.248,233 7.654,234 24.27,235 4.633,236 2.794,237 1.411,238 0.793,239 0.71,240 0.636,241 4.486,244 1,245 1557,246 4.848,250 698.024,252 222.69,253 2.456,254 74.224,256 0.75,257 0.5,258 0.67,259 0.9,260 0.5,261 0.67,262 0.5,263 0.64,264 95,265 721,266 5.004,267 4.758,268 7.843,269 4.555,270 3.626,271 4.821,272 0.86,273 14.542,274 3.353,275 4.792,276 4.513,277 7.293,278 4.305,279 3.375,280 4.555,281 0.86,282 12.407,283 3.118,284 4.271,285 3.267,286 6.592,287 3.906,288 2.948,289 3.858,290 0.657,291 10.237,292 2.813,293 4.014,294 2.963,295 5.918,296 3.622,297 2.646,298 3.615,299 0.4,300 8.15,301 2.581,302 4.011,303 2.916,304 5.541,305 3.553,306 2.591,307 3.602,308 0.4,309 7.299,310 2.491,311 3.551,312 2.772,313 5.462,314 3.436,315 2.472,316 2.727,318 7.132,319 2.379,320 3.476,321 2.575,322 5.318,323 3.253,324 2.287,325 2.709,327 6.881,328 2.202,329 3.38,330 2.546,331 5.16,332 3.025,333 2.08,334 2.501,336 6.083,337 1.945,338 3.326,339 2.434,340 4.891,341 2.98,342 2.049,343 2.444,345 5.676,346 1.896,347 2.948,348 2.195,349 4.825,350 2.631,351 1.675,352 2.091,354 4.976,355 1.606,356 2.862,357 1.93,358 4.719,359 2.587,360 1.652,361 1.983,363 4.715,364 1.524,365 2.777,366 1.537,367 4.28,368 2.421,369 1.431,370 1.874,372 3.492,373 1.413,374 2.773,375 1.429,376 3.7,377 2.281,378 1.305,379 1.769,381 3.039,382 1.269,383 2.5,384 1.106,385 3.569,386 2,387 1,388 1.5,390 2.275,391 1,392 2.016,393 1.08,394 3.42,395 1.984,396 1,397 1,399 2.275,400 0.983,401 20.652,402 0.48,403 1.226,404 0.029,405 52.75,406 1.227,407 25.5,408 0.593,409 27.25,410 0.634,411 46.894,412 1.091,413 48.948,414 0.604,415 49.275,416 1.146,417 9.848,418 0.229,419 10.77,420 0.25,421 0.127,422 0.081,423 0.257,424 1,425 0.551,426 1.335,427 0.83,428 1.346,429 0.603,430 1.05,431 0.781,432 1.047,433 0.908,434 0.963,435 0.548,436 0.951,437 0.969,438 1.109,439 1.167,440 1.161,441 0.862,442 1.017,443 1.093,444 1.004,445 1.324,446 1.201,447 1.231,448 1.097,449 1.038,450 0.877,451 1.137,452 1.081,453 1.27,454 0.985,455 1.132,456 0.831,457 1.035,458 0.956,459 1.323,460 0.972,461 0.817,462 0.992,463 1.024,464 1.079,465 0.764,466 1.09,467 0.996,468 0.944,469 1.041,470 1.024,471 0.932,472 0.994,473 10.5,474 0.293,475 6.444,476 3.688,477 3.262,478 2.201,479 1.22,480 1.007,481 0.915,482 0.508,483 32567,484 93878,485 2.047,486 46.9,487 2,488 27,491 1,493 2,494 6,495 1.817,496 1.897,497 3.909,498 -0.346,500 138.262,501 1.707,502 3.546,503 4.929,504 5.546,505 5.63,506 5.704,507 3.452,508 5.101,509 5.39,510 4.138,511 3736.62,512 9.545,513 68343.6,516 513.528,517 1.618,518 5.339,519 0.223,520 0.006,521 0.095,522 0.049,523 0.045,524 0.031,525 0.017,526 0.014,527 0.014,528 0.008,529 0.503,530 0.33,531 0.5,532 0.758,533 248.705,534 0.085,535 -0.171,536 0.24,537 -0.11,538 -0.09,539 0.009,540 0.112,541 0.012,542 0.051,543 0.066,544 0.192,545 0.028,546 -0.096,547 -0.044,548 -0.027,549 -0.034,550 -0.025,551 -0.008,552 -0.043,553 -0.021,554 -0.148,555 -0.088,556 -0.066,557 -0.11,558 -0.071,559 -0.009,560 -0.02,561 -0.014,562 -0.099,563 0.016,564 -0.021,565 0.08,566 -0.004,567 0.043,568 -0.127,569 -0.002,570 0.087,571 -0.077,572 -0.042,573 -0.075,574 0.171,575 -0.097,576 -0.085,577 -0.048,579 -0.017,580 -0.042,581 0.001,582 5.025,583 7.202,584 0.651,585 61.7,586 1.01,587 1.128,588 2.645,589 6.998,590 0.663,591 3.871,592 4.234,593 4.511,594 4.762,595 5.024,596 5.1,597 5.226,598 5.308,599 5.455,600 5.476,601 9.282,602 0.625,603 631.86,604 3.871,605 5.442,606 6.304,607 7.204,608 8.087,609 8.994,610 9.886,611 10.798,612 11.697,613 12.612,614 3.7,616 1,617 1,619 1,624 11,627 7,628 18,632 2,633 1,634 81,635 22,636 3,637 47,638 85,639 31,640 18,641 7,642 11,644 5,645 6,652 6,654 7,655 18,656 13,658 4,659 2,660 4,664 1,665 38,666 10,667 1,668 12,669 2,670 3,672 0.8,673 6,680 5,682 1,687 1,692 4,694 2,695 2,697 1,698 43,700 2,702 9,703 1,704 2,706 2,707 2,710 1,711 7.4,714 4,716 2,717 22.667,718 14.71,719 9.403,720 4.822,721 2.954,722 1.339,723 0.98,724 9.991,725 11.658,726 4.111,727 4.723,728 5.178,729 5.662,730 6.142,731 6.267,732 6.512,733 6.685,734 6.977,735 7.146,736 1,737 75,738 16.746,739 7.918,740 7.946,741 30.765,742 26.392,743 2.446,744 105.167,748 435.531,749 187.796,750 21.048,752 110.626,753 14.96,754 11.615,755 176.181,756 546.156,757 36.008,758 21.766,759 19.889,760 133.864,761 88.626,762 55.323,763 14.96,764 435.531,766 435.531,767 197.229,768 125.586,769 11.615,770 356.322,771 204.794,773 39.419,774 157.81,775 11.615,777 450.491,778 131.674,779 187.796,780 11.615,781 435.531,782 50.176,783 129.042,784 18.011,785 125.586,786 435.531,787 146.634,788 187.796,789 0.59,790 0.35,791 0.183,792 0.105,793 32,794 15,795 0.129,796 11,797 1,798 1.071,799 5.027,800 449.677,801 0.071,802 28,803 221.329,805 2,806 31.74,807 13.535,808 7.184,810 146.634,811 18.237,814 2.764,815 18.011,816 769.96,817 60,818 -7.718,819 55.319,822 81.84,823 91.405,824 0.269,825 0.559,826 0.777,827 0.875,828 0.888,829 0.9,830 5.387,831 2.08,832 6.34,833 6.881,834 4.92,835 5.412,836 1.698,837 7.235,838 4.817,839 6.622,840 2.049,841 7.963,842 6.083,843 4.745,844 5.574,846 8.573,847 4.545,848 7.988,849 1.675,850 9.707,851 5.676,852 6.65,853 7.724,854 1.298,855 11.655,856 6.427,857 9.398,858 1.652,859 11.529,860 4.976,861 7.3,862 8.706,864 13.847,865 6.96,866 10.849,867 1.431,868 13.404,869 4.715,870 8.74,871 10.431,872 1.028,873 16.589,874 8.366,875 12.328,876 1.305,877 15.318,878 3.492,879 9.741,880 11.737,882 19.079,883 9.252,884 13.83,885 1,886 17.261,887 3.039,888 11.035,889 13.334,890 0.819,891 21.746,892 10.493,893 3.626,894 1,895 19.225,896 2.275,897 12.186,898 14.773,900 24.339,901 11.539,902 3.375,903 14.542,904 21.206,905 2.275,906 13.442,907 16.331,908 0.65,909 26.992,910 12.726,911 2.948,912 12.407,913 23.2,914 4.821,915 14.656,916 17.83,918 29.624,919 13.844,920 2.646,921 10.237,922 25.204,923 4.555,924 15.908,925 19.378,926 0.511,927 32.279,928 15.019,929 2.591,930 8.15,931 27.216,932 3.858,933 17.15,934 20.904,936 34.929,937 16.172,938 2.472,939 7.299,940 29.235,941 3.615,942 18.406,943 22.452,944 0.399,945 37.589,946 17.348,947 2.287,948 7.132,949 31.259,950 3.602,951 19.661,952 23.992,954 40.248,955 18.518,956 30834,957 52585,958 30.8,959 53.682,960 70.306,961 73.37,962 73.452,963 70.612,964 70.571,965 89.199,966 6.355,967 211.874,968 67.018,969 6.004,970 6.758,971 7.526,972 5.638,973 5.626,974 7.821,975 1.72,976 23.232,977 5.353,978 24.008,979 1.496,980 1.561,981 1.563,982 1.502,983 1.502,984 1.898,985 0.135,986 4.508,987 1.426,988 4.156,989 4.152,990 4.756,991 4.117,992 8.201,993 4.047,994 4.028,995 4.025,996 4.719,997 3.985,998 7.718,999 3.887,1000 3.923,1001 3.945,1002 3.882,1003 3.851,1004 7.711,1005 3.846,1006 3.907,1007 3.923,1008 3.864,1009 3.85,1010 6.999,1011 3.824,1012 3.716,1013 3.752,1014 3.74,1015 3.602,1016 6.999,1017 3.577,1018 3.631,1019 3.617,1020 3.635,1021 3.536,1022 4.904,1023 3.476,1024 3.482,1025 3.502,1026 3.405,1027 3.373,1028 4.739,1029 3.328,1030 3.284,1031 3.352,1032 3.147,1033 3.072,1034 4.653,1035 3.075,1036 0.106,1037 0.101,1038 0.167,1039 0.097,1040 0.077,1041 5.004,1042 0.103,1043 4.758,1044 0.018,1045 7.843,1046 0.309,1047 4.555,1048 0.071,1049 3.626,1050 4.821,1051 0.86,1052 14.542,1053 3.353,1054 2.025,1055 2.022,1056 2.098,1057 2.122,1058 1.471,1059 2.148,1060 1.922,1061 1.902,1062 2.053,1063 2.062,1064 1.406,1065 2.085,1066 1.894,1067 1.88,1068 1.981,1069 1.986,1070 1.181,1071 2.001,1072 1.866,1073 1.854,1074 1.944,1075 1.975,1076 1.138,1077 1.987,1078 1.687,1079 1.649,1080 1.846,1081 1.82,1082 1.125,1083 1.86,1084 1.501,1085 1.503,1086 1.615,1087 1.659,1088 0.906,1089 1.694,1090 1.38,1091 1.389,1092 1.589,1093 1.582,1094 0.825,1095 1.609,1096 1.239,1097 1.162,1098 1.546,1099 1.526,1100 0.717,1101 1.548,1102 4.554,1104 5.905,1106 7.461,1108 9.108,1110 10.806,1111 2.9,1113 13.173,1116 3.853,1117 3.442,1118 10.678,1120 -0.386,1121 2.905,1123 50.593,1124 138.262,1125 287.209,1126 399.209,1127 449.263,1128 456.018,1129 462.018,1130 136.314,1131 8.704,1132 105.25,1133 122.01,1134 30,1135 13.127,1136 4.524,1137 3.807,1138 71.555,1139 233,1140 312,1141 0.144,1142 312.64,1143 555.43,1144 754.601,1145 94231,1146 1.2,1147 30.614,1148 0.712,1149 0.606,1150 30.244,1151 26.041,1152 20.618,1153 0.439,1154 0.372,1155 14.454,1156 18.194,1157 13.864,1158 11.416,1159 21.834,1160 17.471,1161 19.203,1162 0.282,1163 0.218,1164 21.168,1165 14.796,1166 16.083,1167 0.179,1168 0.134,1169 18.086,1170 12.089,1171 13.001,1172 0.112,1173 0.081,1174 15.235,1175 9.355,1176 10.896,1177 0.072,1178 0.049,1179 12.784,1180 7.424,1181 0.23,1182 146.385,1183 0.18,1184 38.268,1185 0.385,1186 230,1187 753.868,1188 331.854,1189 727.215,1190 969.53,1191 670,1192 273,1193 641.271,1194 394.632,1195 711.821,1196 1039.16,1197 665,1198 6.801} {0 CHEMBL572835,1 1.608,2 16.093,3 4.982,4 24.822,5 170.126,6 7.475,7 0.383,8 4.515,9 4.616,10 4.271,11 4.084,12 5.475,13 4.02,14 5.121,15 5.284,16 4.566,17 4.498,18 6.291,19 4.415,20 5.42,21 5.618,22 4.732,23 4.725,24 6.394,25 4.607,26 5.579,27 5.772,28 4.77,29 4.801,30 6.69,31 4.672,32 5.659,33 5.879,34 4.743,35 4.822,36 6.712,37 4.681,38 5.65,39 5.872,40 4.74,41 4.785,42 6.699,43 4.653,44 5.584,45 5.806,46 4.701,47 4.761,48 6.762,49 4.625,50 5.582,51 5.816,52 4.626,53 4.724,54 6.568,55 4.573,56 0.141,57 1.233,58 24.453,59 9.055,60 27.747,61 11.051,62 0.694,63 2.046,64 41.438,65 15.29,66 98.084,67 19.068,68 0.539,69 2.707,70 63.568,71 21.589,72 74.226,73 26.189,74 1.144,75 2.996,76 76.624,77 25.067,78 153.578,79 29.852,80 1.056,81 3.107,82 86.03,83 27.633,84 168.831,85 33.223,86 1.431,87 3.009,88 80.019,89 25.487,90 196.534,91 31.846,92 1.159,93 2.916,94 71.346,95 24.452,96 217.446,97 30.942,98 0.801,99 2.884,100 77.279,101 25.199,102 121.154,103 30.946,104 54,105 68,106 0.241,107 0.515,108 0.728,109 0.822,110 0.847,111 0.863,112 3.788,113 1.137,114 -3.97,115 -3.92,116 -3.72,117 38.1,118 1,119 5,122 2,123 3,124 3,126 12,127 2,128 4,139 13,140 6,141 9,145 4,147 16,151 11,155 2,157 12,159 4,160 20,162 1,164 2,166 11,168 3,169 9,173 1,175 14,177 3,178 11,180 2,184 16,186 6,187 13,191 1,193 11,197 20,203 4,206 3,207 21,209 1,211 1,213 6,216 4197,217 28.813,218 28.813,219 28.813,220 28.813,221 28.813,222 26.08,223 40.879,224 16.67,225 29.619,226 23.037,227 23.037,228 23.037,229 23.037,230 23.037,231 18.672,232 65.033,233 7.686,234 24.168,235 4.785,236 2.96,237 1.543,238 0.921,239 0.75,240 0.646,241 4.486,244 1,245 1494,246 5,250 696.914,252 222.245,253 2.286,254 65.434,256 0.75,257 0.5,258 0.67,259 0.9,260 0.5,261 0.67,262 0.5,263 0.64,264 93.5,265 692,266 5.004,267 4.758,268 7.843,269 4.555,270 3.626,271 4.821,272 0.86,273 14.542,274 3.353,275 4.792,276 4.513,277 7.293,278 4.305,279 3.375,280 4.555,281 0.86,282 12.407,283 3.119,284 4.271,285 3.267,286 6.592,287 3.906,288 2.948,289 3.858,290 0.657,291 10.237,292 2.813,293 4.058,294 3.128,295 6.05,296 3.806,297 2.827,298 3.602,299 0.4,300 8.691,301 2.767,302 4.011,303 2.916,304 5.918,305 3.553,306 2.591,307 3.54,308 0.4,309 8.15,310 2.491,311 3.528,312 2.662,313 5.541,314 3.403,315 2.428,316 2.709,318 7.137,319 2.359,320 3.475,321 2.568,322 5.352,323 3.251,324 2.285,325 2.578,327 6.942,328 2.201,329 3.327,330 2.438,331 5.16,332 2.981,333 2.051,334 2.448,336 6.083,337 1.896,338 3.091,339 2.22,340 4.845,341 2.766,342 1.8,343 2.243,345 5.037,346 1.741,347 2.948,348 1.931,349 4.723,350 2.63,351 1.659,352 2.091,354 4.722,355 1.606,356 2.86,357 1.773,358 4.28,359 2.534,360 1.588,361 1.983,363 3.871,364 1.488,365 2.773,366 1.537,367 4.185,368 2.419,369 1.43,370 1.874,372 3.492,373 1.41,374 2.758,375 1.429,376 3.699,377 2.281,378 1.305,379 1.763,381 3.039,382 1.269,383 2.5,384 1.121,385 3.568,386 2.008,387 1.027,388 1.5,390 2.468,391 1.005,392 2.294,393 1.085,394 3.466,395 2,396 1,397 1.255,399 2.275,400 1,401 20.867,402 0.485,403 1.209,404 0.028,405 52.5,406 1.221,407 25.5,408 0.593,409 27,410 0.628,411 48.524,412 1.128,413 48.733,414 0.58,415 48.403,416 1.126,417 9.608,418 0.223,419 11.027,420 0.256,421 0.136,422 0.08,423 0.254,425 0.565,426 1.448,427 0.863,428 1.35,429 0.645,430 1.067,431 0.825,432 1.115,433 0.923,434 0.967,435 0.565,436 0.958,437 1.004,438 1.132,439 1.161,440 1.133,441 0.875,442 0.994,443 1.184,444 1.111,445 1.318,446 1.21,447 1.389,448 1.1,449 1.187,450 1.021,451 1.153,452 1.103,453 1.511,454 1.017,455 1.198,456 0.949,457 1.001,458 0.961,459 1.444,460 0.969,461 0.9,462 1.027,463 0.973,464 0.997,465 0.839,466 1.003,467 1.116,468 1.053,469 1.144,470 1.107,471 1.039,472 1.006,473 10,474 0.297,475 6.444,476 4.125,477 3.271,478 2.236,479 1.22,480 1.038,481 0.891,482 0.498,483 31955,484 80998,485 2.047,486 48.8,487 2,488 27,491 1,493 5,494 6,495 1.818,496 1.897,497 3.871,498 -0.369,500 135.03,501 1.608,502 3.432,503 4.849,504 5.471,505 5.642,506 5.746,507 3.377,508 5.101,509 5.393,510 4.094,511 3697.17,512 9.552,513 67077.4,516 536.955,517 1.618,518 5.339,519 0.213,520 0.006,521 0.095,522 0.054,523 0.043,524 0.03,525 0.017,526 0.014,527 0.014,528 0.008,529 0.495,530 0.33,531 0.5,532 0.758,533 247.94,534 0.121,535 -0.194,536 0.253,537 -0.107,538 -0.118,539 0.011,540 0.169,541 0.027,542 0.064,543 0.068,544 0.239,545 0.031,546 -0.085,547 -0.01,548 -0.006,549 -0.013,550 -0.02,551 0.013,552 -0.007,553 -0.038,554 -0.132,555 -0.095,556 -0.047,557 -0.11,558 -0.072,559 -0.024,560 -0.04,561 -0.04,562 -0.109,563 -0.024,564 0.005,565 0.024,566 0.025,567 0.027,568 -0.117,569 0.001,570 0.131,571 -0.023,572 0.028,573 -0.005,574 0.237,575 -0.021,576 -0.085,577 -0.054,578 -0.024,579 -0.047,580 -0.017,581 -0.011,582 5.007,583 7.231,584 0.651,585 59.001,586 1.003,587 1.125,588 2.739,589 7.502,590 0.661,591 3.871,592 4.234,593 4.522,594 4.779,595 5.024,596 5.1,597 5.247,598 5.328,599 5.447,600 5.468,601 9.063,602 0.616,603 627.9,604 3.871,605 5.442,606 6.308,607 7.21,608 8.096,609 9.004,610 9.899,611 10.812,612 11.713,613 12.63,614 3.6,616 1,617 1,619 1,624 12,627 6,628 18,632 2,634 84,635 22,636 3,637 47,638 88,639 32,640 18,641 6,642 12,644 5,645 6,649 1,652 6,654 8,655 18,656 14,658 4,659 2,660 4,665 41,666 9,667 1,668 11,669 2,670 3,672 0.8,673 6,680 5,682 1,687 1,692 4,694 2,695 3,698 43,700 2,702 8,703 1,704 2,706 3,707 2,711 7.1,714 4,716 2,717 22.667,718 15.483,719 9.431,720 5.092,721 2.896,722 1.334,723 0.972,724 10.041,725 11.564,726 4.111,727 4.714,728 5.175,729 5.661,730 6.124,731 6.248,732 6.53,733 6.683,734 6.966,735 7.137,736 0.909,737 76,738 16.722,739 7.837,740 7.81,741 31.101,742 26.705,743 2.31,744 99.333,748 470.844,749 194.87,750 21.048,752 110.626,754 11.615,755 183.256,756 581.47,757 21.048,758 30.591,759 17.784,760 143.341,761 88.626,762 46.202,764 470.844,766 470.844,767 204.303,768 110.626,769 11.615,770 341.362,771 240.108,773 46.138,774 158.165,775 11.615,777 470.844,778 131.674,779 194.87,780 11.615,781 470.844,782 38.949,783 147.343,784 18.011,785 110.626,786 470.844,787 131.674,788 194.87,789 0.588,790 0.354,791 0.188,792 0.104,793 32,794 15,795 0.125,796 11,797 1,798 1.071,799 4.988,800 452.967,801 0.071,802 28,803 221.329,805 2,806 31.803,807 13.577,808 7.048,810 131.674,811 22.246,814 3.362,815 18.011,816 797.388,817 60,818 -7.667,819 55.512,822 84.21,823 94.48,824 0.251,825 0.537,826 0.759,827 0.856,828 0.883,829 0.899,830 5.387,831 2.051,832 6.344,833 6.942,834 4.92,835 5.403,836 1.698,837 7.246,838 4.825,839 6.618,840 1.8,841 7.971,842 6.083,843 4.745,844 5.545,846 8.59,847 4.557,848 7.982,849 1.659,850 9.721,851 5.037,852 6.655,853 7.706,854 1.298,855 11.679,856 6.442,857 9.391,858 1.588,859 11.548,860 4.722,861 7.314,862 8.685,864 13.867,865 6.988,866 10.842,867 1.43,868 13.428,869 3.871,870 8.755,871 10.415,872 1.028,873 16.607,874 8.394,875 12.323,876 1.305,877 15.344,878 3.492,879 9.761,880 11.723,882 19.091,883 9.288,884 13.826,885 1.027,886 17.286,887 3.039,888 11.055,889 13.323,890 0.819,891 21.755,892 10.529,893 3.626,894 1,895 19.25,896 2.468,897 12.207,898 14.764,900 24.344,901 11.577,902 3.375,903 14.542,904 21.229,905 2.275,906 13.462,907 16.324,908 0.65,909 26.996,910 12.762,911 2.948,912 12.407,913 23.22,914 4.821,915 14.674,916 17.824,918 29.627,919 13.879,920 2.827,921 10.237,922 25.222,923 4.555,924 15.924,925 19.373,926 0.511,927 32.281,928 15.052,929 2.591,930 8.691,931 27.232,932 3.858,933 17.163,934 20.9,936 34.93,937 16.202,938 2.428,939 8.15,940 29.248,941 3.602,942 18.418,943 22.448,944 0.399,945 37.589,946 17.375,947 2.285,948 7.137,949 31.27,950 3.54,951 19.672,952 23.989,954 40.248,955 18.543,956 30253,957 48516,958 30.8,959 55.506,960 70.635,961 73.203,962 73.467,963 70.692,964 70.703,965 89.162,966 6.355,967 212.527,968 67.501,969 6.004,970 6.758,971 7.645,972 5.638,973 5.626,974 7.821,975 1.72,976 23.232,977 5.353,978 23.712,979 1.503,980 1.558,981 1.563,982 1.504,983 1.504,984 1.897,985 0.135,986 4.522,987 1.436,988 4.157,989 4.153,990 4.756,991 4.118,992 7.718,993 4.048,994 4.03,995 4.028,996 4.719,997 3.986,998 7.711,999 3.892,1000 3.928,1001 3.949,1002 3.879,1003 3.865,1004 6.999,1005 3.85,1006 3.907,1007 3.924,1008 3.86,1009 3.851,1010 6.999,1011 3.825,1012 3.716,1013 3.753,1014 3.739,1015 3.604,1016 4.905,1017 3.579,1018 3.632,1019 3.621,1020 3.632,1021 3.537,1022 4.767,1023 3.478,1024 3.487,1025 3.514,1026 3.406,1027 3.375,1028 4.732,1029 3.332,1030 3.392,1031 3.458,1032 3.237,1033 3.242,1034 4.573,1035 3.223,1036 0.106,1037 0.101,1038 0.167,1039 0.097,1040 0.077,1041 5.004,1042 0.103,1043 4.758,1044 0.018,1045 7.843,1046 0.309,1047 4.555,1048 0.071,1049 3.626,1050 4.821,1051 0.86,1052 14.542,1053 3.353,1054 2.025,1055 2.022,1056 2.098,1057 2.122,1058 1.472,1059 2.148,1060 1.938,1061 1.91,1062 2.074,1063 2.068,1064 1.408,1065 2.089,1066 1.896,1067 1.886,1068 1.997,1069 1.99,1070 1.2,1071 2.015,1072 1.87,1073 1.857,1074 1.944,1075 1.977,1076 1.157,1077 1.989,1078 1.69,1079 1.652,1080 1.846,1081 1.821,1082 1.134,1083 1.862,1084 1.51,1085 1.506,1086 1.714,1087 1.676,1088 0.907,1089 1.707,1090 1.407,1091 1.393,1092 1.611,1093 1.6,1094 0.83,1095 1.638,1096 1.377,1097 1.331,1098 1.589,1099 1.571,1100 0.825,1101 1.605,1102 4.554,1104 5.905,1106 7.465,1108 9.115,1110 10.816,1111 5.051,1116 3.606,1117 3.642,1118 10.709,1120 -0.107,1121 2.979,1123 51.736,1124 135.03,1125 288.31,1126 407.306,1127 459.571,1128 473.935,1129 482.69,1130 129.162,1131 8.667,1132 105.25,1133 122.01,1134 30,1135 13.144,1136 4.524,1137 3.807,1138 71.481,1139 229,1140 279,1141 0.147,1142 321.034,1143 566.66,1144 775.083,1145 88752,1147 30.614,1148 0.712,1149 0.619,1150 31.114,1151 26.611,1152 20.635,1153 0.439,1154 0.379,1155 14.829,1156 18.33,1157 14.168,1158 11.715,1159 22.244,1160 17.819,1161 19.111,1162 0.281,1163 0.222,1164 21.697,1165 15.088,1166 16.124,1167 0.177,1168 0.136,1169 18.537,1170 12.366,1171 13.28,1172 0.113,1173 0.082,1174 15.656,1175 9.645,1176 10.855,1177 0.072,1178 0.05,1179 13.027,1180 7.561,1181 0.234,1182 145.574,1183 0.18,1184 38.119,1185 0.395,1186 230,1187 665.757,1188 328.356,1189 671.56,1190 909.12,1191 620,1192 274,1193 609.219,1194 392.889,1195 686.41,1196 1003.1,1197 642,1198 6} {0 CHEMBL572921,1 1.784,2 13.784,3 5.193,4 26.966,5 151.555,6 8.66,7 0.415,8 4.306,9 4.394,10 4.229,11 3.969,12 5.252,13 3.88,14 4.912,15 5.055,16 4.547,17 4.401,18 6.148,19 4.29,20 5.237,21 5.429,22 4.632,23 4.576,24 6.236,25 4.427,26 5.357,27 5.547,28 4.659,29 4.603,30 6.492,31 4.455,32 5.39,33 5.592,34 4.717,35 4.593,36 6.501,37 4.465,38 5.341,39 5.528,40 4.696,41 4.597,42 6.734,43 4.473,44 5.315,45 5.523,46 4.524,47 4.605,48 6.328,49 4.439,50 5.342,51 5.573,52 4.457,53 4.498,54 6.421,55 4.336,56 0.147,57 1.012,58 17.345,59 7.383,60 26.67,61 8.235,62 0.589,63 1.742,64 30.966,65 13.037,66 86.655,67 15.022,68 0.566,69 2.331,70 59.478,71 19.857,72 81.299,73 21.722,74 0.954,75 2.497,76 70.116,77 22.663,78 137.522,79 23.166,80 1.078,81 2.466,82 71.453,83 22.436,84 185.826,85 23.463,86 1.44,87 2.368,88 58.888,89 20.473,90 248.288,91 22.885,92 0.537,93 2.414,94 62.195,95 22.222,96 90.822,97 25.218,98 0.88,99 2.275,100 65.533,101 21.5,102 145.051,103 24.171,104 26,105 60,106 0.279,107 0.569,108 0.766,109 0.852,110 0.857,111 0.857,112 3.642,113 1.219,114 -4.29,115 -4.23,116 -3.99,117 38.8,119 4,123 4,124 2,126 10,127 1,128 3,132 1,133 1,139 9,140 6,141 5,145 2,147 13,151 9,155 2,157 9,159 3,160 20,162 1,164 1,166 3,169 9,175 11,177 6,178 13,180 2,184 16,187 14,193 10,197 14,199 1,201 1,203 9,207 4,211 1,213 11,216 2809,217 24.658,218 24.658,219 24.658,220 24.658,221 24.658,222 21.978,223 32.423,224 14.313,225 25.442,226 20.233,227 20.233,228 20.233,229 20.233,230 20.233,231 16.128,232 49.83,233 6.79,234 21.607,235 4.283,236 2.434,237 1.175,238 0.627,239 0.597,240 0.597,241 4.342,242 1,244 1,245 1118,246 4.416,249 115.842,250 440.012,252 183.229,253 2.083,254 59.542,256 0.75,257 0.83,258 0.83,259 0.7,260 0.5,261 0.83,262 1,263 0.78,264 79.833,265 510,266 4.982,267 4.738,268 7.803,269 4.54,270 3.609,271 4.786,272 0.657,273 14.357,274 3.343,275 4.795,276 4.524,277 7.307,278 4.305,279 3.376,280 4.558,281 0.4,282 12.5,283 3.117,284 4.228,285 3.228,286 6.486,287 3.835,288 2.872,289 3.825,290 0.4,291 9.844,292 2.753,293 3.927,294 2.895,295 5.729,296 3.537,297 2.604,298 3.48,300 7.466,301 2.442,302 3.839,303 2.852,304 5.438,305 3.369,306 2.433,307 3.396,309 7.21,310 2.256,311 3.519,312 2.646,313 5.283,314 3.336,315 2.407,316 2.551,318 6.768,319 2.217,320 3.379,321 2.455,322 5.162,323 3.15,324 2.203,325 2.503,327 6.251,328 2.051,329 3.054,330 2.201,331 4.947,332 2.71,333 1.757,334 2.207,336 5.243,337 1.651,338 2.925,339 1.901,340 4.676,341 2.571,342 1.638,343 2.066,345 4.68,346 1.516,347 2.851,348 1.628,349 4.493,350 2.449,351 1.479,352 1.955,354 4.196,355 1.41,356 2.783,357 1.456,358 3.687,359 2.372,360 1.387,361 1.808,363 3.025,364 1.34,365 2.615,366 1.428,367 3.56,368 2.221,369 1.273,370 1.635,372 2.78,373 1.194,374 2.5,375 1.077,376 3.524,377 2,378 1,379 1.5,381 2.275,382 1,383 2.118,384 1,385 3.414,386 1.984,387 1,388 1,390 2.275,391 0.983,392 2.011,393 0.852,394 3.414,395 1.737,396 0.748,397 0.927,399 1.808,400 0.737,401 18.748,402 0.507,403 1.107,404 0.03,405 45.75,406 1.236,407 22.5,408 0.608,409 23.25,410 0.628,411 39.76,412 1.075,413 40.652,414 0.607,415 38.147,416 1.031,417 8.002,418 0.216,419 9.735,420 0.263,421 0.109,422 0.089,423 0.229,425 0.444,426 1.333,427 0.745,428 1.159,429 0.611,430 0.939,431 0.599,432 1.125,433 0.844,434 0.941,435 0.508,436 0.969,437 1.017,438 1.162,439 1.15,440 1.158,441 0.848,442 1.027,443 1.395,444 1.03,445 1.152,446 1.104,447 1.456,448 1.038,449 1.49,450 0.941,451 0.877,452 0.934,453 1.773,454 0.874,455 0.966,456 0.919,457 0.866,458 0.907,459 1.077,460 0.95,461 0.853,462 1.16,463 1.025,464 1.166,465 0.817,466 1.101,467 1.284,468 0.905,469 0.874,470 0.836,471 1.344,472 0.941,473 9,474 0.241,475 5.556,476 3.222,477 2.694,478 2.017,479 1.102,480 0.896,481 0.572,482 0.332,483 21302,484 62571,485 2.087,486 44.8,487 2,488 20,489 1,491 1,493 2,494 4,495 1.783,496 1.947,497 3.649,498 -0.311,500 119.5,501 1.784,502 3.632,503 4.891,504 5.439,505 5.469,506 5.469,507 3.226,508 4.574,509 5.173,510 3.888,511 2589.32,512 9.122,513 41329.8,516 406.428,517 1.578,518 5.128,519 0.22,520 0.007,521 0.093,522 0.052,523 0.043,524 0.032,525 0.017,526 0.015,527 0.011,528 0.008,529 0.498,530 0.17,531 0.75,532 0.531,533 202.613,534 0.141,535 -0.153,536 0.187,537 -0.071,538 -0.115,539 0.033,540 0.25,541 0.003,542 0.013,543 0.02,544 0.249,545 -0.04,546 -0.104,547 -0.082,548 -0.092,549 -0.09,550 -0.014,551 -0.045,552 -0.143,553 0.008,554 -0.127,555 -0.061,556 -0.102,557 -0.084,558 -0.16,559 0.033,560 0.057,561 0.062,562 -0.225,563 0.081,564 0.27,565 0.07,566 0.012,567 0.025,568 0.287,569 -0.011,570 -0.042,571 -0.161,572 -0.091,573 -0.147,574 0.008,575 -0.097,576 -0.142,577 0.011,578 0.012,579 0.061,580 -0.113,581 0.026,582 4.916,583 6.813,584 0.73,585 45.899,586 1.008,587 1.117,588 3.064,589 9.387,590 0.706,591 3.738,592 4.111,593 4.382,594 4.644,595 4.875,596 5.004,597 5.112,598 5.226,599 5.338,600 5.398,601 7.904,602 0.652,603 580.25,604 3.738,605 5.313,606 6.176,607 7.079,608 7.963,609 8.874,610 9.768,611 10.684,612 11.584,613 12.505,614 4.5,616 1,617 1,619 1,624 11,626 1,627 5,628 17,633 1,634 67,635 21,636 2,637 41,638 71,639 26,640 16,641 4,642 8,644 5,645 6,646 1,652 6,654 6,655 16,656 10,658 4,659 2,660 4,665 30,666 7,667 1,668 11,669 4,670 3,672 0.8,673 4,679 1,680 4,682 1,687 1,692 4,694 3,696 1,698 37,700 2,702 8,703 1,706 2,707 2,709 1,710 1,711 6,714 4,717 19,718 11.543,719 7.875,720 4.051,721 2.579,722 1.31,723 1.007,724 8.179,725 10.891,726 3.998,727 4.618,728 5.052,729 5.529,730 5.907,731 6.12,732 6.343,733 6.578,734 6.848,735 7.081,736 1,737 62,738 14.476,739 6.997,740 7.859,741 26.794,742 23.601,743 2.359,744 87.278,748 341.362,749 175.011,750 21.048,751 39.149,752 88.626,754 42.893,755 132.119,756 469.137,757 21.048,759 17.355,760 132.037,761 88.626,762 14.031,763 13.13,764 360.869,765 39.149,766 341.362,767 153.166,768 88.626,769 82.041,770 270.735,771 159.253,773 36.884,774 116.282,775 50.764,776 31.278,777 341.362,778 109.674,779 214.16,780 11.615,781 341.362,782 60.985,783 105.449,784 18.011,785 127.775,786 341.362,787 109.674,788 214.16,789 0.595,790 0.345,791 0.18,792 0.097,793 30,794 13,795 0.113,796 8,797 1,798 1.074,799 4.609,800 373.589,801 0.074,802 27,803 180.75,804 1,805 2,806 26.95,807 11.23,808 6.014,810 109.674,811 19.479,813 1.703,814 3.223,815 18.011,816 665.195,817 53.5,818 -7.668,819 54.704,822 67.538,823 74.849,824 0.294,825 0.599,826 0.806,827 0.897,828 0.902,829 0.902,830 5.274,831 1.757,832 6.217,833 6.251,834 4.796,835 5.306,836 0.918,837 7.117,838 4.669,839 6.514,840 1.638,841 7.842,842 5.243,843 4.635,844 5.466,846 8.48,847 4.393,848 7.882,849 1.479,850 9.592,851 4.68,852 6.535,853 7.623,854 0.389,855 11.565,856 6.271,857 9.295,858 1.387,859 11.423,860 4.196,861 7.209,862 8.624,864 13.775,865 6.824,866 10.751,867 1.273,868 13.308,869 3.025,870 8.645,871 10.342,872 0.164,873 16.514,874 8.228,875 12.236,876 1,877 15.231,878 2.78,879 9.664,880 11.666,882 19.005,883 9.136,884 13.744,885 1,886 17.181,887 2.275,888 10.959,889 13.255,890 0.07,891 21.664,892 10.379,893 3.609,894 0.748,895 19.152,896 2.275,897 12.118,898 14.705,900 24.25,901 11.441,902 3.376,903 14.357,904 21.137,905 1.808,906 13.376,907 16.257,908 0.03,909 26.893,910 12.633,911 2.872,912 12.5,913 23.134,914 4.786,915 14.593,916 17.76,918 29.514,919 13.762,920 2.604,921 9.844,922 25.14,923 4.558,924 15.846,925 19.303,926 0.013,927 32.156,928 14.941,929 2.433,930 7.466,931 27.153,932 3.825,933 17.088,934 20.829,936 34.793,937 16.1,938 2.407,939 7.21,940 29.172,941 3.48,942 18.344,943 22.373,944 0.006,945 37.439,946 17.279,947 2.203,948 6.768,949 31.194,950 3.396,951 19.598,952 23.91,954 40.084,955 18.452,956 19900,957 34370,958 27.216,959 47.296,960 62.113,961 64.518,962 63.081,963 62.386,964 62.167,965 79.728,966 2.915,967 187.454,968 58.282,969 5.982,970 6.738,971 7.487,972 5.632,973 5.609,974 7.786,975 1.315,976 22.86,977 5.343,978 17.682,979 1.515,980 1.574,981 1.539,982 1.522,983 1.516,984 1.945,985 0.071,986 4.572,987 1.422,988 4.16,989 4.155,990 4.769,991 4.128,992 7.719,993 4.051,994 4.009,995 4.005,996 4.705,997 3.974,998 7.711,999 3.879,1000 3.9,1001 3.923,1002 4.216,1003 3.909,1004 6.999,1005 3.834,1006 3.87,1007 3.876,1008 3.931,1009 3.844,1010 6.999,1011 3.802,1012 3.696,1013 3.723,1014 3.852,1015 3.599,1016 4.929,1017 3.565,1018 3.594,1019 3.568,1020 3.645,1021 3.536,1022 4.74,1023 3.453,1024 3.422,1025 3.457,1026 3.335,1027 3.309,1028 4.681,1029 3.271,1030 3.19,1031 3.277,1032 3.155,1033 2.973,1034 4.333,1035 2.968,1036 0.122,1037 0.116,1038 0.19,1039 0.111,1040 0.088,1041 4.982,1042 0.117,1043 4.738,1044 0.016,1045 7.803,1046 0.35,1047 4.54,1048 0.082,1049 3.609,1050 4.786,1051 0.657,1052 14.357,1053 3.343,1054 2.03,1055 2.028,1056 2.091,1057 2.123,1058 1.469,1059 2.154,1060 1.904,1061 1.896,1062 2.028,1063 2.04,1064 1.391,1065 2.065,1066 1.875,1067 1.851,1068 1.947,1069 1.956,1070 1.137,1071 1.984,1072 1.681,1073 1.659,1074 1.791,1075 1.809,1076 1.09,1077 1.851,1078 1.552,1079 1.516,1080 1.727,1081 1.685,1082 0.956,1083 1.711,1084 1.43,1085 1.449,1086 1.526,1087 1.566,1088 0.839,1089 1.609,1090 1.382,1091 1.38,1092 1.513,1093 1.501,1094 0.825,1095 1.551,1096 1.353,1097 1.339,1098 1.473,1099 1.468,1100 0.653,1101 1.528,1102 4.419,1104 5.778,1105 2.398,1106 7.332,1107 4.443,1108 8.978,1109 6.26,1110 10.674,1112 5.989,1116 3.903,1117 3.529,1120 -0.438,1121 2.853,1123 43.687,1124 119.5,1125 243.341,1126 327.699,1127 364.428,1128 366.428,1129 366.428,1130 102.627,1131 8.312,1132 86.79,1133 131.79,1134 29,1135 13.018,1136 4.459,1137 3.755,1138 56.707,1139 169,1140 209,1141 0.158,1142 277.879,1143 481.64,1144 669.784,1145 54639,1146 1.5,1147 26.045,1148 0.704,1149 0.635,1150 27.399,1151 23.498,1152 17.737,1153 0.433,1154 0.406,1155 12.602,1156 14.94,1157 11.986,1158 9.801,1159 20.09,1160 16.661,1161 16.988,1162 0.283,1163 0.246,1164 20.588,1165 14.785,1166 13.971,1167 0.177,1168 0.152,1169 17.31,1170 12.04,1171 11.535,1172 0.112,1173 0.092,1174 14.642,1175 9.488,1176 9.029,1177 0.069,1178 0.058,1179 11.86,1180 7.523,1181 0.248,1182 133.722,1183 0.192,1184 33.665,1185 0.433,1186 202,1187 579.35,1188 332.067,1189 649.524,1190 865.95,1191 596,1192 240,1193 539.109,1194 379.537,1195 638.798,1196 934.45,1197 600,1198 5.57} {0 CHEMBL572983,1 1.632,2 16.864,3 4.588,4 21.052,5 172.171,6 7.575,7 0.375,8 4.533,9 4.63,10 4.294,11 4.082,12 5.513,13 4.028,14 5.136,15 5.296,16 4.582,17 4.49,18 6.316,19 4.418,20 5.408,21 5.595,22 4.745,23 4.715,24 6.403,25 4.607,26 5.575,27 5.766,28 4.775,29 4.786,30 6.697,31 4.663,32 5.644,33 5.861,34 4.744,35 4.794,36 6.711,37 4.661,38 5.608,39 5.817,40 4.748,41 4.76,42 6.685,43 4.641,44 5.575,45 5.786,46 4.712,47 4.758,48 6.773,49 4.635,50 5.61,51 5.842,52 4.638,53 4.734,54 6.586,55 4.593,56 0.158,57 1.244,58 24.34,59 9.107,60 28.327,61 10.941,62 0.811,63 2.037,64 42.004,65 15.216,66 102.52,67 18.651,68 0.619,69 2.655,70 62.298,71 21.363,72 76.419,73 25.505,74 1.251,75 2.956,76 76.255,77 24.71,78 156.434,79 29.243,80 1.26,81 3.017,82 85.509,83 26.831,84 175.785,85 32.055,86 1.507,87 2.892,88 76.33,89 24.113,90 197.037,91 29.77,92 1.244,93 2.884,94 70.275,95 24.003,96 216.962,97 30.163,98 1.018,99 2.901,100 76.715,101 24.942,102 132.141,103 30.979,104 59,105 69,106 0.245,107 0.514,108 0.723,109 0.823,110 0.847,111 0.865,112 3.81,113 1.118,114 -3.24,115 -3.23,116 -3.1,117 37.6,119 5,122 3,123 4,124 2,126 11,127 2,128 5,139 11,140 6,141 11,145 3,147 13,151 13,155 2,157 9,159 4,160 21,162 1,164 1,166 7,168 3,169 9,171 1,173 1,175 13,177 3,178 10,180 2,184 14,186 6,187 15,191 1,193 11,197 17,203 4,206 4,207 21,209 1,211 1,213 5,216 4528,217 29.631,218 29.631,219 29.631,220 29.631,221 29.631,222 26.9,223 44.23,224 17.102,225 30.609,226 23.47,227 23.47,228 23.47,229 23.47,230 23.47,231 19.003,232 68.544,233 7.814,234 24.777,235 4.777,236 2.979,237 1.586,238 0.918,239 0.759,240 0.638,241 4.509,244 1,245 1598,246 4.95,250 716.359,252 229.13,253 2.479,254 68.166,256 0.75,257 0.5,258 0.67,259 0.9,260 1,261 0.67,262 0.5,263 0.71,264 96.5,265 742,266 5.004,267 4.758,268 7.843,269 4.555,270 3.626,271 4.821,272 0.86,273 14.542,274 3.353,275 4.792,276 4.513,277 7.293,278 4.305,279 3.375,280 4.555,281 0.86,282 12.407,283 3.118,284 4.271,285 3.267,286 6.592,287 3.906,288 2.948,289 3.858,290 0.86,291 10.237,292 2.813,293 4.069,294 2.968,295 5.918,296 3.676,297 2.703,298 3.669,299 0.657,300 8.15,301 2.632,302 4.011,303 2.916,304 5.598,305 3.553,306 2.591,307 3.602,308 0.4,309 7.717,310 2.491,311 3.545,312 2.743,313 5.541,314 3.45,315 2.488,316 2.709,317 0.4,318 7.141,319 2.39,320 3.476,321 2.57,322 5.364,323 3.253,324 2.287,325 2.651,327 7.007,328 2.202,329 3.338,330 2.489,331 5.16,332 3.01,333 2.063,334 2.486,336 6.083,337 1.947,338 3.322,339 2.428,340 4.954,341 2.979,342 2.046,343 2.444,345 5.802,346 1.896,347 2.948,348 2.185,349 4.828,350 2.631,351 1.675,352 2.091,354 4.974,355 1.606,356 2.863,357 1.93,358 4.719,359 2.588,360 1.652,361 1.984,363 4.715,364 1.525,365 2.783,366 1.537,367 4.28,368 2.421,369 1.431,370 1.874,372 3.492,373 1.414,374 2.773,375 1.429,376 3.7,377 2.281,378 1.305,379 1.805,381 3.039,382 1.269,383 2.677,384 1.387,385 3.569,386 2.222,387 1.237,388 1.731,390 2.672,391 1.216,392 2.016,393 1.087,394 3.51,395 1.984,396 1,397 1,399 2.275,400 0.983,401 21.2,402 0.482,403 1.188,404 0.027,405 54,406 1.227,407 26,408 0.591,409 28,410 0.636,411 48.539,412 1.103,413 50.2,414 0.591,415 50.512,416 1.148,417 10.129,418 0.23,419 11.027,420 0.251,421 0.134,422 0.079,423 0.25,425 0.609,426 1.48,427 0.852,428 1.375,429 0.645,430 1.074,431 0.918,432 1.06,433 0.929,434 0.929,435 0.594,436 0.92,437 0.997,438 1.172,439 1.175,440 1.172,441 0.895,442 1.021,443 1.139,444 1.125,445 1.322,446 1.226,447 1.4,448 1.109,449 1.159,450 0.996,451 1.156,452 1.084,453 1.54,454 0.994,455 1.186,456 0.971,457 1.037,458 0.986,459 1.516,460 0.991,461 0.888,462 1.068,463 1.01,464 1.045,465 0.857,466 1.04,467 1.122,468 1.016,469 1.069,470 1.028,471 1.065,472 0.999,473 10.5,474 0.342,475 6.222,476 3.938,477 3.302,478 2.208,479 1.262,480 1.007,481 0.878,482 0.524,483 34708,484 92993,485 2.046,486 48.2,487 2,488 30,491 1,493 2,494 6,495 1.822,496 1.899,497 3.93,498 -0.355,500 138.732,501 1.632,502 3.43,503 4.823,504 5.491,505 5.65,506 5.771,507 3.467,508 5.079,509 5.425,510 4.166,511 3941.4,512 9.611,513 73772.7,516 544.798,517 1.602,518 5.373,519 0.219,520 0.007,521 0.09,522 0.051,523 0.043,524 0.03,525 0.018,526 0.014,527 0.013,528 0.009,529 0.493,530 0.33,531 0.5,532 0.81,533 256.578,534 0.098,535 -0.219,536 0.248,537 -0.125,538 -0.111,539 0.001,540 0.104,541 0.079,542 0.06,543 0.106,544 0.224,545 0.062,546 -0.095,547 -0.044,548 -0.02,549 -0.031,550 -0.025,551 -0.006,552 -0.024,553 -0.048,554 -0.137,555 -0.102,556 -0.055,557 -0.117,558 -0.07,559 0.003,560 -0.031,561 -0.013,562 -0.114,563 0.001,564 -0.025,565 0.024,566 -0.002,567 0.018,568 -0.14,569 -0.018,570 0.1,571 -0.049,572 -0.012,573 -0.042,574 0.231,575 -0.052,576 -0.111,577 -0.031,578 -0.021,579 -0.015,580 -0.054,581 -0.011,582 5.014,583 7.233,584 0.636,585 64.033,586 1.006,587 1.126,588 2.008,589 4.033,590 0.658,591 3.892,592 4.248,593 4.533,594 4.787,595 5.037,596 5.118,597 5.252,598 5.318,599 5.468,600 5.501,601 9.501,602 0.617,603 643.9,604 3.892,605 5.46,606 6.323,607 7.222,608 8.105,609 9.011,610 9.904,611 10.815,612 11.713,613 12.628,614 3.5,616 1,617 1,619 1,624 11,627 7,628 18,632 3,634 85,635 22,636 3,637 48,638 89,639 32,640 18,641 7,642 11,644 5,645 6,652 6,654 7,655 18,656 14,658 4,659 2,660 4,665 41,666 10,667 1,668 12,669 2,670 3,672 0.8,673 7,680 5,682 1,687 1,692 4,694 2,695 3,698 44,700 2,702 9,703 1,704 3,706 2,707 2,711 8.2,714 4,716 3,717 23.167,718 15.733,719 9.736,720 4.994,721 2.998,722 1.342,723 0.971,724 10.559,725 11.775,726 4.127,727 4.732,728 5.194,729 5.685,730 6.151,731 6.291,732 6.549,733 6.692,734 6.987,735 7.162,736 1,737 77,738 17.079,739 7.956,740 7.833,741 31.653,742 26.91,743 2.333,744 102.667,748 470.844,749 194.801,750 21.048,752 121.626,754 11.615,755 183.186,756 592.47,757 21.048,758 32.649,759 19.889,760 133.864,761 88.626,762 62.446,764 470.844,766 470.844,767 204.234,768 121.626,769 11.615,770 376.675,771 215.794,773 39.419,774 164.815,775 11.615,777 470.844,778 142.673,779 194.801,780 11.615,781 470.844,782 46.298,783 139.925,784 18.011,785 121.626,786 470.844,787 142.673,788 194.801,789 0.585,790 0.352,791 0.186,792 0.104,793 32,794 15,795 0.135,796 12,797 1,798 1.071,799 5.095,800 462.584,801 0.071,802 28,803 232.215,805 2,806 32.735,807 14.193,808 7.438,810 142.673,811 19.879,814 4.048,815 18.011,816 808.319,817 61,818 -7.686,819 55.501,822 85.538,823 95.69,824 0.255,825 0.535,826 0.752,827 0.857,828 0.882,829 0.9,830 5.4,831 2.063,832 6.354,833 7.007,834 4.934,835 5.421,836 1.938,837 7.249,838 4.831,839 6.632,840 2.046,841 7.976,842 6.083,843 4.745,844 5.574,846 8.583,847 4.551,848 7.996,849 1.675,850 9.719,851 5.802,852 6.663,853 7.73,854 1.56,855 11.667,856 6.439,857 9.405,858 1.652,859 11.54,860 4.974,861 7.307,862 8.71,864 13.854,865 6.97,866 10.855,867 1.431,868 13.415,869 4.715,870 8.75,871 10.436,872 1.282,873 16.595,874 8.378,875 12.335,876 1.305,877 15.328,878 3.492,879 9.749,880 11.742,882 19.082,883 9.263,884 13.837,885 1.237,886 17.269,887 3.039,888 11.044,889 13.339,890 1.053,891 21.748,892 10.504,893 3.626,894 1,895 19.232,896 2.672,897 12.193,898 14.778,900 24.34,901 11.549,902 3.375,903 14.542,904 21.212,905 2.275,906 13.449,907 16.336,908 0.858,909 26.993,910 12.736,911 2.948,912 12.407,913 23.204,914 4.821,915 14.661,916 17.834,918 29.625,919 13.853,920 2.703,921 10.237,922 25.208,923 4.555,924 15.913,925 19.381,926 0.691,927 32.28,928 15.027,929 2.591,930 8.15,931 27.219,932 3.858,933 17.153,934 20.907,936 34.929,937 16.178,938 2.488,939 7.717,940 29.238,941 3.669,942 18.409,943 22.454,944 0.549,945 37.589,946 17.354,947 2.287,948 7.141,949 31.261,950 3.602,951 19.664,952 23.994,954 40.248,955 18.523,956 32946,957 54217,958 31.493,959 55.961,960 71.392,961 74.661,962 74.834,963 71.742,964 71.842,965 90.461,966 8.075,967 214.945,968 68.169,969 6.004,970 6.758,971 7.526,972 5.638,973 5.626,974 7.821,975 1.72,976 23.232,977 5.353,978 24.393,979 1.487,980 1.555,981 1.559,982 1.495,983 1.497,984 1.885,985 0.168,986 4.478,987 1.42,988 4.156,989 4.152,990 4.756,991 4.117,992 7.718,993 4.047,994 4.028,995 4.025,996 4.719,997 3.985,998 7.711,999 3.887,1000 3.925,1001 3.944,1002 3.881,1003 3.852,1004 6.999,1005 3.846,1006 3.908,1007 3.923,1008 3.863,1009 3.851,1010 6.999,1011 3.825,1012 3.717,1013 3.752,1014 3.739,1015 3.602,1016 4.909,1017 3.577,1018 3.632,1019 3.618,1020 3.634,1021 3.536,1022 4.863,1023 3.477,1024 3.483,1025 3.502,1026 3.405,1027 3.373,1028 4.736,1029 3.328,1030 3.315,1031 3.38,1032 3.168,1033 3.093,1034 4.573,1035 3.097,1036 0.104,1037 0.099,1038 0.163,1039 0.095,1040 0.076,1041 5.004,1042 0.1,1043 4.758,1044 0.018,1045 7.843,1046 0.303,1047 4.555,1048 0.07,1049 3.626,1050 4.821,1051 0.86,1052 14.542,1053 3.353,1054 2.025,1055 2.022,1056 2.098,1057 2.122,1058 1.471,1059 2.148,1060 1.923,1061 1.903,1062 2.054,1063 2.062,1064 1.406,1065 2.085,1066 1.895,1067 1.882,1068 1.985,1069 1.988,1070 1.182,1071 2.003,1072 1.868,1073 1.856,1074 1.944,1075 1.977,1076 1.141,1077 1.988,1078 1.688,1079 1.65,1080 1.846,1081 1.821,1082 1.13,1083 1.861,1084 1.502,1085 1.503,1086 1.616,1087 1.662,1088 0.906,1089 1.695,1090 1.381,1091 1.389,1092 1.589,1093 1.584,1094 0.825,1095 1.609,1096 1.27,1097 1.201,1098 1.587,1099 1.544,1100 0.726,1101 1.561,1102 4.575,1104 5.922,1106 7.476,1108 9.123,1110 10.821,1111 4.561,1116 4.178,1117 3.54,1118 16.007,1120 -0.318,1121 2.958,1123 52.451,1124 138.732,1125 291.545,1126 409.95,1127 466.759,1128 480.269,1129 490.534,1130 132.306,1131 8.776,1132 114.48,1133 131.24,1134 30,1135 13.144,1136 4.524,1137 3.807,1138 74.184,1139 246,1140 306,1141 0.142,1142 325.03,1143 575.45,1144 784.834,1145 103950,1147 31.321,1148 0.712,1149 0.615,1150 31.821,1151 27.071,1152 21.156,1153 0.441,1154 0.373,1155 14.861,1156 18.693,1157 14.206,1158 11.745,1159 22.765,1160 17.894,1161 19.384,1162 0.281,1163 0.218,1164 21.97,1165 15.021,1166 16.416,1167 0.178,1168 0.134,1169 18.83,1170 12.31,1171 13.419,1172 0.113,1173 0.08,1174 15.794,1175 9.535,1176 11.058,1177 0.072,1178 0.049,1179 13.23,1180 7.518,1181 0.228,1182 149.863,1183 0.178,1184 38.99,1185 0.378,1186 234,1187 715.493,1188 334.901,1189 711.489,1190 958.55,1191 658,1192 278,1193 638.483,1194 399.38,1195 715.984,1196 1043.66,1197 667,1198 6.569} {0 CHEMBL572984,1 1.608,2 16.814,3 4.926,4 24.264,5 170.462,6 7.475,7 0.383,8 4.515,9 4.616,10 4.271,11 4.084,12 5.471,13 4.02,14 5.121,15 5.284,16 4.556,17 4.497,18 6.287,19 4.411,20 5.418,21 5.619,22 4.712,23 4.714,24 6.38,25 4.592,26 5.562,27 5.758,28 4.742,29 4.771,30 6.669,31 4.639,32 5.625,33 5.848,34 4.712,35 4.77,36 6.682,37 4.631,38 5.597,39 5.816,40 4.722,41 4.731,42 6.662,43 4.609,44 5.532,45 5.738,46 4.691,47 4.741,48 6.743,49 4.618,50 5.589,51 5.818,52 4.608,53 4.744,54 6.563,55 4.594,56 0.141,57 1.233,58 24.453,59 9.055,60 26.958,61 11.051,62 0.7,63 2.043,64 41.439,65 15.304,66 97.154,67 19.074,68 0.537,69 2.681,70 63.71,71 21.703,72 73.21,73 26.321,74 1.132,75 2.926,76 75.986,77 24.764,78 150.682,79 29.422,80 1.058,81 2.99,82 84.329,83 26.503,84 165.772,85 31.729,86 1.437,87 2.856,88 76.748,89 23.826,90 191.959,91 29.53,92 1.118,93 2.8,94 67.404,95 23.31,96 209.015,97 29.144,98 0.795,99 2.905,100 75.565,101 25.273,102 123.265,103 31.335,104 41,105 67,106 0.241,107 0.507,108 0.713,109 0.823,110 0.849,111 0.864,112 3.788,113 1.141,114 -3.97,115 -3.92,116 -3.72,117 38.1,119 6,122 2,123 4,124 2,126 12,127 2,128 4,139 14,140 6,141 9,145 3,147 17,151 11,155 1,157 12,159 4,160 20,162 1,164 2,166 8,168 3,169 9,173 2,175 11,177 3,178 10,180 2,182 1,184 16,186 6,187 12,191 1,193 13,197 18,203 6,206 3,207 20,209 1,211 1,213 5,216 4359,217 29.02,218 29.02,219 29.02,220 29.02,221 29.02,222 26.262,223 39.917,224 16.966,225 29.828,226 23.059,227 23.059,228 23.059,229 23.059,230 23.059,231 18.67,232 59.729,233 7.846,234 24.186,235 4.785,236 3.017,237 1.648,238 0.912,239 0.741,240 0.637,241 4.488,244 1,245 1563,246 4.899,250 703.305,252 223.064,253 2.495,254 64.971,256 0.75,257 0.5,258 0.67,259 0.9,260 0.5,261 0.67,262 0.5,263 0.64,264 93.5,265 723,266 5.004,267 4.758,268 7.843,269 4.555,270 3.626,271 4.821,272 0.86,273 14.542,274 3.353,275 4.792,276 4.513,277 7.293,278 4.305,279 3.375,280 4.555,281 0.86,282 12.407,283 3.118,284 4.271,285 3.267,286 6.592,287 3.906,288 2.948,289 3.858,290 0.4,291 10.237,292 2.813,293 4.011,294 2.916,295 5.918,296 3.554,297 2.591,298 3.602,299 0.4,300 8.15,301 2.527,302 3.898,303 2.778,304 5.541,305 3.54,306 2.555,307 3.444,308 0.4,309 7.146,310 2.491,311 3.531,312 2.68,313 5.385,314 3.443,315 2.466,316 2.709,318 7.065,319 2.394,320 3.474,321 2.569,322 5.324,323 3.252,324 2.287,325 2.539,327 6.916,328 2.202,329 3.327,330 2.441,331 5.16,332 2.981,333 2.051,334 2.446,336 6.083,337 1.896,338 2.949,339 2.253,340 4.839,341 2.648,342 1.719,343 2.107,345 5,346 1.607,347 2.946,348 1.931,349 4.721,350 2.63,351 1.657,352 2.091,354 4.718,355 1.599,356 2.862,357 1.635,358 4.28,359 2.512,360 1.528,361 1.984,363 3.492,364 1.492,365 2.788,366 1.537,367 3.704,368 2.421,369 1.431,370 1.874,372 3.229,373 1.414,374 2.773,375 1.429,376 3.678,377 2.281,378 1.305,379 1.787,381 3.039,382 1.269,383 2.5,384 1.224,385 3.568,386 2.014,387 1.049,388 1.5,390 2.323,391 1.009,392 2.158,393 1.086,394 3.429,395 2,396 1,397 1.136,399 2.275,400 1,401 20.867,402 0.485,403 1.12,404 0.026,405 52.5,406 1.221,407 25.5,408 0.593,409 27,410 0.628,411 47.478,412 1.104,413 48.733,414 0.58,415 47.775,416 1.111,417 9.669,418 0.225,419 11.055,420 0.257,421 0.112,422 0.08,423 0.23,425 0.565,426 1.448,427 0.863,428 1.35,429 0.635,430 1.067,431 0.833,432 1.106,433 0.941,434 0.976,435 0.57,436 0.976,437 0.988,438 1.123,439 1.158,440 1.137,441 0.874,442 0.998,443 1.185,444 1.119,445 1.321,446 1.22,447 1.403,448 1.101,449 1.231,450 1.018,451 1.16,452 1.094,453 1.558,454 0.993,455 1.28,456 0.913,457 1.01,458 0.929,459 1.523,460 0.922,461 0.948,462 1.051,463 1.03,464 1.041,465 0.882,466 1.033,467 1.106,468 1.077,469 1.128,470 1.111,471 1.064,472 1.054,473 9.5,474 0.326,475 6,476 3.75,477 2.911,478 2.146,479 1.301,480 0.896,481 0.792,482 0.531,483 33047,484 83558,485 2.061,486 48.8,487 2,488 28,491 1,493 4,494 6,495 1.817,496 1.925,497 3.913,498 -0.369,500 135.03,501 1.608,502 3.376,503 4.745,504 5.48,505 5.651,506 5.755,507 3.479,508 5.101,509 5.389,510 4.154,511 3751.5,512 9.543,513 69011.4,516 536.955,517 1.547,518 5.347,519 0.202,520 0.007,521 0.09,522 0.051,523 0.04,524 0.03,525 0.019,526 0.012,527 0.012,528 0.009,529 0.471,530 0.33,531 0.5,532 0.729,533 249.098,534 0.121,535 -0.194,536 0.253,537 -0.107,538 -0.11,539 0.011,540 0.161,541 0.036,542 0.046,543 0.059,544 0.234,545 0.013,546 -0.078,547 -0.012,548 -0.002,549 -0.015,550 -0.019,551 0.012,552 0.003,553 -0.055,554 -0.123,555 -0.101,556 -0.041,557 -0.111,558 -0.074,559 -0.022,560 -0.025,561 -0.029,562 -0.107,563 -0.006,564 -0.006,565 0.07,566 0.04,567 0.064,568 -0.122,569 0.039,570 0.12,571 -0.027,572 -0.019,573 -0.033,574 0.247,575 -0.05,576 -0.097,577 -0.082,578 -0.063,579 -0.075,580 -0.052,581 -0.059,582 5.002,583 7.217,584 0.651,585 63.206,586 1.003,587 1.125,588 2.739,589 7.502,590 0.661,591 3.871,592 4.22,593 4.5,594 4.754,595 4.997,596 5.075,597 5.215,598 5.278,599 5.412,600 5.468,601 9.391,602 0.616,603 627.9,604 3.871,605 5.434,606 6.293,607 7.189,608 8.07,609 8.974,610 9.866,611 10.776,612 11.675,613 12.59,614 3.6,616 1,617 1,619 1,624 12,627 6,628 18,632 2,634 84,635 22,636 3,637 47,638 88,639 32,640 18,641 6,642 12,644 5,645 6,652 6,654 8,655 18,656 14,658 4,659 2,660 4,665 41,666 9,667 1,668 11,669 2,670 3,672 0.8,673 6,680 5,682 1,687 1,692 4,694 2,695 2,698 43,700 2,702 10,703 1,704 2,706 2,707 2,711 7.1,714 4,716 2,717 22.333,718 15.15,719 9.486,720 5.092,721 2.896,722 1.334,723 0.977,724 10.356,725 11.564,726 4.111,727 4.705,728 5.158,729 5.641,730 6.102,731 6.22,732 6.495,733 6.652,734 6.929,735 7.121,736 1,737 74,738 16.718,739 7.81,740 7.802,741 31.161,742 26.689,743 2.302,744 99,748 470.844,749 190.685,750 21.048,752 110.626,754 11.615,755 179.071,756 581.47,757 21.048,758 21.766,759 22.424,760 143.341,761 88.626,762 46.202,764 470.844,766 470.844,767 200.118,768 110.626,769 11.615,770 353.133,771 228.337,773 41.953,774 158.165,775 11.615,777 470.844,778 131.674,779 190.685,780 11.615,781 470.844,782 43.589,783 138.518,784 18.011,785 110.626,786 470.844,787 131.674,788 190.685,789 0.584,790 0.348,791 0.185,792 0.102,793 31,794 14,795 0.136,796 12,797 1,798 1.071,799 5.076,800 446.586,801 0.071,802 28,803 221.329,805 2,806 31.803,807 14.002,808 7.378,810 131.674,811 22.339,814 3.446,815 18.011,816 793.203,817 60,818 -7.645,819 55.395,822 84.21,823 94.48,824 0.251,825 0.528,826 0.742,827 0.857,828 0.884,829 0.9,830 5.378,831 2.051,832 6.319,833 6.916,834 4.905,835 5.394,836 1.593,837 7.21,838 4.811,839 6.602,840 1.719,841 7.937,842 6.083,843 4.691,844 5.521,846 8.552,847 4.499,848 7.962,849 1.657,850 9.68,851 5,852 6.627,853 7.694,854 1.206,855 11.642,856 6.412,857 9.368,858 1.528,859 11.505,860 4.718,861 7.266,862 8.669,864 13.841,865 6.931,866 10.819,867 1.431,868 13.384,869 3.492,870 8.719,871 10.404,872 0.972,873 16.585,874 8.352,875 12.299,876 1.305,877 15.302,878 3.229,879 9.72,880 11.712,882 19.077,883 9.234,884 13.804,885 1.049,886 17.249,887 3.039,888 11.021,889 13.314,890 0.789,891 21.745,892 10.482,893 3.626,894 1,895 19.216,896 2.323,897 12.173,898 14.756,900 24.338,901 11.527,902 3.375,903 14.542,904 21.199,905 2.275,906 13.433,907 16.318,908 0.634,909 26.992,910 12.718,911 2.948,912 12.407,913 23.195,914 4.821,915 14.648,916 17.818,918 29.624,919 13.837,920 2.591,921 10.237,922 25.201,923 4.555,924 15.902,925 19.369,926 0.504,927 32.279,928 15.014,929 2.555,930 8.15,931 27.214,932 3.858,933 17.145,934 20.896,936 34.929,937 16.167,938 2.466,939 7.146,940 29.234,941 3.602,942 18.402,943 22.446,944 0.395,945 37.589,946 17.344,947 2.287,948 7.065,949 31.258,950 3.444,951 19.659,952 23.987,954 40.248,955 18.514,956 31207,957 49977,958 31.087,959 55.506,960 69.822,961 72.541,962 72.499,963 70.119,964 70.117,965 88.555,966 5.84,967 207.86,968 66.942,969 6.004,970 6.758,971 7.645,972 5.638,973 5.626,974 7.821,975 1.72,976 23.232,977 5.353,978 21.855,979 1.486,980 1.543,981 1.543,982 1.492,983 1.492,984 1.884,985 0.124,986 4.423,987 1.424,988 4.156,989 4.152,990 4.756,991 4.117,992 7.718,993 4.047,994 4.027,995 4.023,996 4.719,997 3.985,998 7.711,999 3.884,1000 3.92,1001 3.948,1002 3.876,1003 3.86,1004 6.999,1005 3.847,1006 3.908,1007 3.925,1008 3.845,1009 3.851,1010 6.999,1011 3.829,1012 3.731,1013 3.767,1014 3.739,1015 3.613,1016 4.904,1017 3.587,1018 3.633,1019 3.624,1020 3.65,1021 3.538,1022 4.759,1023 3.479,1024 3.49,1025 3.517,1026 3.406,1027 3.376,1028 4.731,1029 3.332,1030 3.393,1031 3.456,1032 3.239,1033 3.242,1034 4.573,1035 3.224,1036 0.106,1037 0.101,1038 0.167,1039 0.097,1040 0.077,1041 5.004,1042 0.103,1043 4.758,1044 0.018,1045 7.843,1046 0.309,1047 4.555,1048 0.071,1049 3.626,1050 4.821,1051 0.86,1052 14.542,1053 3.353,1054 2.025,1055 2.022,1056 2.098,1057 2.121,1058 1.472,1059 2.148,1060 1.928,1061 1.902,1062 2.07,1063 2.06,1064 1.408,1065 2.084,1066 1.897,1067 1.887,1068 2.012,1069 1.995,1070 1.225,1071 2.019,1072 1.878,1073 1.862,1074 1.944,1075 1.979,1076 1.168,1077 1.99,1078 1.695,1079 1.659,1080 1.847,1081 1.83,1082 1.135,1083 1.871,1084 1.513,1085 1.508,1086 1.698,1087 1.685,1088 0.914,1089 1.713,1090 1.405,1091 1.394,1092 1.61,1093 1.598,1094 0.874,1095 1.631,1096 1.376,1097 1.33,1098 1.589,1099 1.568,1100 0.825,1101 1.602,1102 4.554,1104 5.894,1106 7.444,1108 9.087,1110 10.783,1111 2.926,1116 5.504,1117 3.577,1118 10.705,1120 -0.233,1121 2.985,1123 51.736,1124 135.03,1125 283.555,1126 398.551,1127 460.325,1128 474.69,1129 483.445,1130 127.709,1131 8.667,1132 105.25,1133 122.01,1134 30,1135 13.106,1136 4.524,1137 3.807,1138 71.58,1139 235,1140 308,1141 0.143,1142 321.034,1143 566.66,1144 775.083,1145 91150,1147 30.451,1148 0.708,1149 0.615,1150 30.951,1151 26.447,1152 20.724,1153 0.441,1154 0.38,1155 14.88,1156 18.415,1157 14.264,1158 11.774,1159 22.334,1160 17.871,1161 18.935,1162 0.283,1163 0.224,1164 21.521,1165 14.978,1166 15.914,1167 0.179,1168 0.138,1169 18.327,1170 12.27,1171 13.083,1172 0.114,1173 0.083,1174 15.458,1175 9.556,1176 10.686,1177 0.073,1178 0.051,1179 12.859,1180 7.493,1181 0.228,1182 146.156,1183 0.179,1184 38.373,1185 0.38,1186 228,1187 663.757,1188 326.023,1189 669.11,1190 903.86,1191 618,1192 270,1193 601.937,1194 388.555,1195 678.991,1196 990.8,1197 635,1198 7.041} {0 CHEMBL574450,1 1.701,2 14.658,3 5.08,4 25.801,5 155.655,6 8.074,7 0.405,8 4.354,9 4.462,10 4.127,11 3.967,12 5.329,13 3.895,14 4.947,15 5.116,16 4.481,17 4.398,18 6.046,19 4.299,20 5.252,21 5.457,22 4.569,23 4.569,24 6.217,25 4.438,26 5.395,27 5.612,28 4.55,29 4.577,30 6.457,31 4.459,32 5.401,33 5.619,34 4.575,35 4.609,36 6.466,37 4.484,38 5.422,39 5.645,40 4.572,41 4.643,42 6.475,43 4.506,44 5.426,45 5.67,46 4.436,47 4.595,48 6.486,49 4.446,50 5.322,51 5.574,52 4.376,53 4.513,54 6.238,55 4.352,56 0.077,57 1.067,58 17.21,59 7.249,60 16.058,61 8.888,62 0.515,63 1.816,64 32.305,65 12.488,66 55.972,67 15.736,68 0.359,69 2.337,70 53.653,71 18.405,72 51.236,73 22.452,74 0.774,75 2.544,76 63.76,77 19.773,78 113.221,79 23.307,80 0.91,81 2.507,82 62.387,83 20.319,84 122.357,85 24.303,86 0.825,87 2.564,88 64.813,89 21.923,90 123.185,91 27.152,92 0.876,93 2.548,94 59.911,95 20.737,96 147.395,97 27.068,98 0.448,99 2.298,100 56.278,101 19.267,102 68.896,103 25.021,104 26,105 60,106 0.264,107 0.564,108 0.765,109 0.858,110 0.862,111 0.862,112 3.668,113 1.119,114 -4.76,115 -4.67,116 -4.39,117 39.4,119 4,122 1,123 4,124 2,126 10,127 1,128 3,132 1,133 1,135 1,139 9,140 6,141 5,145 2,147 13,150 1,151 10,155 2,157 9,160 18,162 1,164 1,166 3,168 4,169 10,175 11,178 11,180 2,184 14,186 4,187 11,193 10,197 9,203 7,207 15,209 1,211 1,213 7,216 3038,217 25.548,218 25.548,219 25.548,220 25.548,221 25.548,222 23.078,223 34.795,224 14.923,225 26.352,226 20.695,227 20.695,228 20.695,229 20.695,230 20.695,231 16.93,232 52.663,233 7.07,234 22.057,235 4.448,236 2.521,237 1.225,238 0.63,239 0.602,240 0.602,241 4.369,242 1,244 1,245 1220,246 4.416,249 121.844,250 463.681,252 192.519,253 2.168,254 46.837,256 0.75,257 0.83,258 0.83,259 0.7,260 0.5,261 0.83,262 1,263 0.78,264 81.333,265 557,266 4.978,267 4.735,268 7.802,269 4.532,270 3.601,271 4.785,272 1.741,273 14.347,274 3.339,275 4.235,276 3.783,277 6.498,278 3.907,279 2.963,280 3.826,281 0.693,282 9.893,283 2.785,284 4.092,285 3.248,286 6.334,287 3.828,288 2.867,289 3.48,290 0.657,291 9.408,292 2.744,293 3.925,294 2.895,295 5.736,296 3.528,297 2.596,298 3.396,299 0.4,300 7.563,301 2.434,302 3.839,303 2.845,304 5.438,305 3.389,306 2.45,307 3.255,308 0.343,309 7.192,310 2.281,311 3.525,312 2.635,313 5.293,314 3.329,315 2.402,316 2.585,318 6.749,319 2.211,320 3.398,321 2.535,322 5.176,323 3.194,324 2.248,325 2.477,327 6.294,328 2.088,329 3.081,330 2.226,331 4.996,332 2.782,333 1.864,334 2.234,336 5.567,337 1.69,338 2.931,339 2.056,340 4.792,341 2.681,342 1.716,343 2.076,345 4.878,346 1.642,347 2.908,348 1.823,349 4.494,350 2.457,351 1.484,352 2.009,354 4.196,355 1.42,356 2.78,357 1.621,358 3.728,359 2.373,360 1.389,361 1.819,363 3.035,364 1.341,365 2.635,366 1.451,367 3.592,368 2.244,369 1.295,370 1.674,372 2.806,373 1.217,374 2.5,375 1.427,376 3.535,377 2,378 1,379 1.5,381 2.275,382 1,383 2.173,384 1.077,385 3.45,386 1.984,387 1,388 1,390 2.275,391 0.983,392 2.118,393 1,394 3.414,395 1.836,396 0.837,397 0.994,399 2.031,400 0.824,401 18.981,402 0.499,403 1.019,404 0.027,405 45.5,406 1.197,407 21,408 0.553,409 24.5,410 0.645,411 41.321,412 1.087,413 41.619,414 0.586,415 38.108,416 1.003,417 8.351,418 0.22,419 9.974,420 0.262,421 0.117,422 0.044,423 0.274,425 0.559,426 1.394,427 0.725,428 1.1,429 0.578,430 0.966,431 0.667,432 1.028,433 0.796,434 0.859,435 0.511,436 0.919,437 0.927,438 1.212,439 1.049,440 1.148,441 0.737,442 1.055,443 1.574,444 1.02,445 1.077,446 0.999,447 1.592,448 0.964,449 1.402,450 0.887,451 0.85,452 0.849,453 1.652,454 0.918,455 0.902,456 1.041,457 0.889,458 1.059,459 1.074,460 1.022,461 0.87,462 0.991,463 0.762,464 0.872,465 0.911,466 0.973,467 0.873,468 1.007,469 0.85,470 0.915,471 0.731,472 0.979,473 8,474 0.202,475 5.333,476 3.097,477 2.654,478 1.732,479 1.041,480 0.806,481 0.638,482 0.379,483 23745,484 64947,485 2.091,486 46.5,487 2,488 23,489 1,491 1,493 2,494 4,495 1.788,496 1.957,497 3.75,498 -0.348,500 120.806,501 1.701,502 3.628,503 4.924,504 5.519,505 5.548,506 5.548,507 3.264,508 4.827,509 5.212,510 3.981,511 2798.39,512 9.191,513 46441.1,516 436.632,517 1.514,518 5.174,519 0.19,520 0.005,521 0.089,522 0.049,523 0.043,524 0.027,525 0.017,526 0.014,527 0.013,528 0.008,529 0.456,530 0.17,531 0.75,532 0.523,533 211.251,534 0.077,535 -0.195,536 0.136,537 -0.053,538 -0.079,539 0.012,540 0.21,541 0.122,542 0.048,543 0.088,544 0.186,545 0.019,546 -0.034,547 -0.14,548 -0.051,549 -0.123,550 0.04,551 -0.078,552 -0.22,553 0.015,554 -0.113,555 -0.029,556 -0.121,557 -0.034,558 -0.104,559 0.11,560 -0.009,561 0.079,562 -0.14,563 0.017,564 0.101,565 -0.071,566 0.001,567 -0.092,568 0.042,569 -0.04,570 0.096,571 -0.041,572 0.013,573 0.004,574 0.114,575 -0.011,576 -0.033,577 -0.05,578 0.024,579 -0.013,580 0.019,582 4.771,583 6.87,584 0.711,585 48.568,586 1.002,587 1.122,588 3.529,589 12.452,590 0.69,591 3.761,592 4.111,593 4.394,594 4.644,595 4.868,596 4.963,597 5.081,598 5.193,599 5.283,600 5.318,601 8.385,602 0.639,603 573.24,604 3.761,605 5.323,606 6.184,607 7.074,608 7.955,609 8.853,610 9.743,611 10.647,612 11.543,613 12.451,614 5.6,616 1,619 1,620 2,624 11,626 1,627 5,628 17,633 1,634 71,635 20,636 2,637 42,638 75,639 28,640 16,641 4,642 8,644 5,645 6,646 1,648 1,652 6,654 6,655 17,656 11,658 3,659 1,660 3,662 1,665 33,666 7,667 1,668 10,669 3,670 4,672 0.8,673 3,679 1,680 4,682 1,687 1,692 4,694 2,695 1,696 1,698 38,700 1,702 8,703 1,706 2,707 3,709 1,710 1,711 4.2,714 3,717 19.417,718 12.66,719 8.222,720 4.32,721 2.55,722 1.306,723 0.993,724 8.754,725 10.891,726 3.998,727 4.567,728 5.046,729 5.509,730 5.888,731 6.056,732 6.291,733 6.514,734 6.773,735 6.948,736 0.9,737 63,738 14.512,739 6.603,740 7.738,741 27.561,742 23.685,743 2.238,744 85.028,748 376.675,749 183.082,750 25.778,751 39.149,752 69.458,754 37.085,755 145.997,756 485.282,757 25.778,758 8.396,759 24.81,760 126.23,761 69.458,762 12.512,763 17.405,764 396.182,765 39.149,766 376.675,767 171.775,768 69.458,769 76.234,770 306.049,771 140.084,773 42.82,774 128.954,775 44.956,776 31.278,777 376.675,778 95.236,779 222.231,780 5.807,781 376.675,782 66.467,783 118.575,784 18.011,785 108.607,786 376.675,787 95.236,788 222.231,789 0.59,790 0.348,791 0.182,792 0.097,793 29,794 13,795 0.093,796 7,797 1,798 1.074,799 4.746,800 380.22,801 0.074,802 27,803 189.421,804 1,805 1,806 27.6,807 12.052,808 6.286,810 95.236,811 20.151,813 1.748,814 3.657,815 18.011,816 694.142,817 53.5,818 -3.854,819 41.124,821 -0.051,822 71.12,823 79.633,824 0.277,825 0.59,826 0.801,827 0.897,828 0.902,829 0.902,830 5.264,831 1.864,832 6.196,833 6.294,834 4.796,835 5.255,836 2.112,837 7.06,838 4.675,839 6.468,840 1.716,841 7.796,842 5.567,843 4.511,844 5.207,845 1.404,846 8.267,847 4.277,848 7.797,849 1.484,850 9.514,851 4.878,852 6.469,853 7.451,854 2.629,855 11.387,856 6.221,857 9.169,858 1.389,859 11.309,860 4.196,861 7.04,862 8.293,863 2.602,864 13.517,865 6.673,866 10.584,867 1.295,868 13.16,869 3.035,870 8.495,871 10.052,872 3.519,873 16.273,874 8.104,875 12.031,876 1,877 15.051,878 2.806,879 9.446,880 11.285,881 3.779,882 18.748,883 8.946,884 13.504,885 1,886 16.975,887 2.275,888 10.74,889 12.892,890 4.534,891 21.425,892 10.195,893 3.601,894 0.837,895 18.925,896 2.275,897 11.863,898 14.301,899 4.932,900 24.022,901 11.22,902 2.963,903 14.347,904 20.895,905 2.031,906 13.114,907 15.863,908 5.597,909 26.684,910 12.411,911 2.867,912 9.893,913 22.881,914 4.785,915 14.315,916 17.353,917 6.067,918 29.323,919 13.522,920 2.596,921 9.408,922 24.881,923 3.826,924 15.564,925 18.906,926 6.682,927 31.983,928 14.7,929 2.45,930 7.563,931 26.892,932 3.48,933 16.801,934 20.433,935 7.191,936 34.637,937 15.853,938 2.402,939 7.192,940 28.911,941 3.396,942 18.058,943 21.987,944 7.779,945 37.298,946 17.033,947 2.248,948 6.749,949 30.937,950 3.255,951 19.313,952 23.533,953 8.309,954 39.958,955 18.207,956 22160,957 36906,958 28.027,959 48.961,960 63.725,961 65.225,962 64.797,963 63.42,964 63.156,965 79.046,966 7.669,967 185.822,968 59.399,969 5.978,970 6.735,971 7.485,972 5.616,973 5.601,974 7.785,975 3.026,976 22.838,977 5.339,978 18.184,979 1.517,980 1.553,981 1.543,982 1.51,983 1.504,984 1.882,985 0.183,986 4.424,987 1.414,988 4.137,989 4.136,990 4.746,991 4.108,992 7.715,993 4.036,994 3.928,995 3.97,996 4.217,997 3.917,998 7.428,999 3.847,1000 3.902,1001 3.923,1002 3.933,1003 3.861,1004 6.999,1005 3.834,1006 3.819,1007 3.847,1008 3.871,1009 3.696,1010 4.929,1011 3.692,1012 3.659,1013 3.711,1014 3.773,1015 3.566,1016 4.742,1017 3.525,1018 3.569,1019 3.56,1020 3.53,1021 3.443,1022 4.681,1023 3.399,1024 3.413,1025 3.46,1026 3.306,1027 3.225,1028 4.352,1029 3.233,1030 3.237,1031 3.333,1032 3.156,1033 3.007,1034 4.261,1035 3.009,1036 0.119,1037 0.113,1038 0.186,1039 0.108,1040 0.086,1041 4.978,1042 0.114,1043 4.735,1044 0.041,1045 7.802,1046 0.342,1047 4.532,1048 0.079,1049 3.601,1050 4.785,1051 1.741,1052 14.347,1053 3.339,1054 2.022,1055 2.018,1056 2.095,1057 2.117,1058 1.423,1059 2.138,1060 1.896,1061 1.88,1062 2.037,1063 2.037,1064 1.398,1065 2.041,1066 1.84,1067 1.78,1068 1.947,1069 1.956,1070 1.136,1071 1.985,1072 1.637,1073 1.587,1074 1.832,1075 1.828,1076 1.03,1077 1.831,1078 1.559,1079 1.522,1080 1.73,1081 1.699,1082 0.958,1083 1.72,1084 1.416,1085 1.416,1086 1.658,1087 1.609,1088 0.825,1089 1.632,1090 1.384,1091 1.382,1092 1.519,1093 1.501,1094 0.815,1095 1.551,1096 1.354,1097 1.305,1098 1.513,1099 1.497,1100 0.655,1101 1.543,1102 4.443,1104 5.784,1105 2.398,1106 7.322,1107 4.443,1108 8.951,1109 6.26,1110 10.633,1111 1.775,1112 6.024,1116 5.746,1117 3.606,1120 0.019,1121 5.083,1123 45.334,1124 120.806,1125 257.611,1126 349.638,1127 391.877,1128 393.877,1129 393.877,1130 91.839,1131 8.34,1132 72.96,1133 109.58,1134 29,1135 12.97,1136 4.392,1137 3.644,1138 59.156,1139 186,1140 224,1141 0.15,1142 285.803,1143 497.3,1144 689.12,1145 58542,1146 1.4,1147 26.7,1148 0.703,1149 0.627,1150 27.804,1151 23.812,1152 18.325,1153 0.436,1154 0.373,1155 13.051,1156 16.232,1157 12.517,1158 10.296,1159 19.856,1160 15.662,1161 16.931,1162 0.282,1163 0.221,1164 19.23,1165 13.244,1166 14.437,1167 0.18,1168 0.13,1169 16.686,1170 10.409,1171 11.655,1172 0.113,1173 0.076,1174 13.742,1175 7.844,1176 9.175,1177 0.071,1178 0.045,1179 10.965,1180 5.816,1181 0.238,1182 129.294,1183 0.189,1184 34.626,1185 0.403,1186 204,1187 558.399,1188 297.675,1189 611.273,1190 820.55,1191 566,1192 242,1193 533.679,1194 337.101,1195 601.954,1196 883.14,1197 565,1198 5} {0 CHEMBL575359,1 1.694,2 13.889,3 4.993,4 24.933,5 147.294,6 8.245,7 0.425,8 4.283,9 4.384,10 4.081,11 3.928,12 5.259,13 3.852,14 4.875,15 5.03,16 4.435,17 4.359,18 5.989,19 4.256,20 5.198,21 5.404,22 4.509,23 4.52,24 6.163,25 4.385,26 5.296,27 5.501,28 4.489,29 4.53,30 6.377,31 4.399,32 5.326,33 5.543,34 4.519,35 4.521,36 6.405,37 4.403,38 5.275,39 5.479,40 4.516,41 4.531,42 6.515,43 4.41,44 5.265,45 5.49,46 4.354,47 4.536,48 6.194,49 4.378,50 5.276,51 5.522,52 4.276,53 4.43,54 6.264,55 4.272,56 0.077,57 0.962,58 15.567,59 6.835,60 15.751,61 8.21,62 0.384,63 1.664,64 28.75,65 11.986,66 52.686,67 14.776,68 0.386,69 2.205,70 51.731,71 17.748,72 58.118,73 21.103,74 0.65,75 2.321,76 57.138,77 19.478,78 97.359,79 22.306,80 0.735,81 2.289,82 60.353,83 19.753,84 127.584,85 22.801,86 1.035,87 2.217,88 52.732,89 18.415,90 168.475,91 22.325,92 0.354,93 2.263,94 52.793,95 19.586,96 64.951,97 24.394,98 0.603,99 2.127,100 55.013,101 18.936,102 102.594,103 23.48,104 17,105 57,106 0.267,107 0.572,108 0.759,109 0.857,110 0.861,111 0.861,112 3.616,113 1.127,114 -4.92,115 -4.82,116 -4.52,117 40.9,119 5,123 3,124 2,126 10,127 1,128 3,132 1,133 1,134 1,139 9,140 4,141 8,145 2,147 14,151 9,155 2,157 10,159 2,160 19,162 1,164 1,166 7,169 8,175 15,177 4,178 11,180 1,182 1,184 19,187 10,193 10,197 11,199 1,201 1,203 10,207 2,211 1,213 13,216 2662,217 24.341,218 24.341,219 24.341,220 24.341,221 24.341,222 21.846,223 32.299,224 14.28,225 25.034,226 19.738,227 19.738,228 19.738,229 19.738,230 19.738,231 15.964,232 48.934,233 6.783,234 20.936,235 4.35,236 2.41,237 1.223,238 0.606,239 0.576,240 0.576,241 4.319,242 1,244 1,245 1099,246 4.062,249 111.523,250 426.193,252 177.239,253 2.019,254 46.397,256 0.75,257 0.83,258 0.83,259 0.7,260 0.5,261 0.83,262 1,263 0.78,264 76.833,265 500,266 4.978,267 4.735,268 7.802,269 4.532,270 3.601,271 4.785,272 1.94,273 14.347,274 3.341,275 4.235,276 3.731,277 6.495,278 3.866,279 2.906,280 3.826,281 0.657,282 9.881,283 2.774,284 3.979,285 3.232,286 6.056,287 3.775,288 2.81,289 3.48,290 0.555,291 8.701,292 2.708,293 3.922,294 2.895,295 5.707,296 3.502,297 2.574,298 3.397,299 0.4,300 7.426,301 2.411,302 3.838,303 2.842,304 5.416,305 3.366,306 2.425,307 3.132,309 7.136,310 2.255,311 3.484,312 2.598,313 5.244,314 3.303,315 2.365,316 2.548,318 6.652,319 2.187,320 3.331,321 2.476,322 5.141,323 3.12,324 2.175,325 2.431,327 6.239,328 2.029,329 3.053,330 2.143,331 4.896,332 2.71,333 1.751,334 2.201,336 5.147,337 1.651,338 2.925,339 1.95,340 4.495,341 2.493,342 1.512,343 2.066,345 4.197,346 1.463,347 2.844,348 1.636,349 4.106,350 2.385,351 1.41,352 1.955,354 3.502,355 1.341,356 2.678,357 1.451,358 3.657,359 2.324,360 1.347,361 1.724,363 2.99,364 1.306,365 2.51,366 1.444,367 3.547,368 2.183,369 1.209,370 1.5,372 2.754,373 1.163,374 2.5,375 1.077,376 3.51,377 2,378 1,379 1.448,381 2.275,382 1,383 2.118,384 1,385 3.414,386 1.984,387 1,388 1,390 2.275,391 0.983,392 2.011,393 0.852,394 3.414,395 1.733,396 0.745,397 0.927,399 1.805,400 0.733,401 18.081,402 0.502,403 0.93,404 0.026,405 43.75,406 1.215,407 21,408 0.583,409 22.75,410 0.632,411 37.992,412 1.055,413 38.919,414 0.59,415 34.95,416 0.971,417 7.888,418 0.219,419 9.526,420 0.265,421 0.095,422 0.046,423 0.265,425 0.521,426 1.282,427 0.714,428 1.056,429 0.569,430 0.928,431 0.637,432 1.134,433 0.794,434 0.921,435 0.518,436 0.973,437 1.006,438 1.134,439 1.057,440 1.087,441 0.808,442 1.008,443 1.364,444 1.026,445 1.074,446 1.067,447 1.441,448 1.028,449 1.487,450 0.917,451 0.795,452 0.856,453 1.773,454 0.862,455 0.933,456 0.935,457 0.841,458 0.92,459 1.068,460 0.966,461 0.762,462 1.133,463 0.907,464 1.097,465 0.74,466 1.091,467 1.186,468 0.914,469 0.862,470 0.848,471 1.264,472 0.945,473 7.5,474 0.221,475 4.889,476 2.722,477 2.494,478 1.649,479 0.858,480 0.755,481 0.481,482 0.256,483 20463,484 56571,485 2.113,486 45.5,487 2,488 18,489 1,491 1,492 2,493 2,494 4,495 1.775,496 1.991,497 3.67,498 -0.355,500 111.832,501 1.694,502 3.634,503 4.821,504 5.438,505 5.469,506 5.469,507 3.222,508 4.593,509 5.134,510 3.904,511 2459.3,512 9.036,513 39027.6,516 398.93,517 1.463,518 5.103,519 0.188,520 0.007,521 0.086,522 0.046,523 0.043,524 0.028,525 0.014,526 0.014,527 0.01,528 0.007,529 0.443,530 0.17,531 0.75,532 0.496,533 196.412,534 0.082,535 -0.126,536 0.134,537 -0.031,538 -0.075,539 0.03,540 0.185,541 -0.015,542 0.031,543 0.019,544 0.174,545 -0.04,546 -0.082,547 -0.069,548 -0.058,549 -0.072,550 0.007,551 -0.039,552 -0.111,553 -0.002,554 -0.114,555 -0.077,556 -0.072,557 -0.08,558 -0.151,559 0.045,560 0.055,561 0.085,562 -0.168,563 0.085,564 0.234,565 0.051,566 0.005,567 -0.003,568 0.225,569 -0.019,570 -0.016,571 -0.153,572 -0.062,573 -0.136,574 0.003,575 -0.097,576 -0.096,577 0.004,578 0.007,579 0.04,580 -0.092,581 0.027,582 4.777,583 6.792,584 0.75,585 44.599,586 1.002,587 1.117,588 3.686,589 13.589,590 0.7,591 3.714,592 4.06,593 4.344,594 4.605,595 4.836,596 4.934,597 5.043,598 5.17,599 5.283,600 5.328,601 7.983,602 0.648,603 544.19,604 3.714,605 5.273,606 6.133,607 7.024,608 7.904,609 8.803,610 9.693,611 10.599,612 11.495,613 12.406,614 4.5,616 1,619 1,620 1,624 11,626 1,627 5,628 17,633 1,634 66,635 20,636 2,637 40,638 70,639 27,640 16,641 4,642 8,644 5,645 6,646 1,652 6,654 7,655 17,656 10,658 3,659 1,660 3,662 1,665 30,666 6,667 1,668 9,669 3,670 3,672 0.8,673 3,679 1,680 4,682 1,685 1,687 1,692 4,694 2,696 1,698 36,700 1,702 8,703 1,706 2,707 2,709 1,710 1,711 4.5,714 3,717 18.083,718 11.46,719 7.778,720 4.095,721 2.581,722 1.312,723 1.001,724 8.015,725 10.864,726 3.961,727 4.535,728 5.013,729 5.496,730 5.88,731 6.061,732 6.285,733 6.518,734 6.78,735 6.977,736 1,737 59,738 13.781,739 6.341,740 7.751,741 26.147,742 22.693,743 2.251,744 81.028,748 341.362,749 175.543,750 22.654,751 39.149,752 69.458,754 37.085,755 138.458,756 449.968,757 22.654,759 22.114,760 126.23,761 74.163,762 12.512,763 13.13,764 360.869,765 39.149,766 341.362,767 161.112,768 69.458,769 76.234,770 270.735,771 140.084,773 40.125,774 120.987,775 44.956,776 31.278,777 341.362,778 92.112,779 214.692,780 5.807,781 341.362,782 67.324,783 107.054,784 18.011,785 108.607,786 341.362,787 92.112,788 214.692,789 0.588,790 0.345,791 0.183,792 0.099,793 28,794 12,795 0.1,796 7,797 1,798 1.074,799 4.615,800 354.704,801 0.074,802 27,803 176.117,804 1,805 1,806 25.716,807 11.22,808 5.828,810 92.112,811 20.07,813 1.745,814 3.615,815 18.011,816 648.165,817 51.5,818 -3.86,819 40.936,821 0.021,822 66.134,823 73.72,824 0.28,825 0.601,826 0.798,827 0.9,828 0.905,829 0.905,830 5.222,831 1.751,832 6.142,833 6.239,834 4.745,835 5.223,836 2.183,837 7.004,838 4.635,839 6.427,840 1.512,841 7.738,842 5.147,843 4.443,844 5.173,845 1.668,846 8.217,847 4.224,848 7.757,849 1.41,850 9.453,851 4.197,852 6.415,853 7.429,854 2.989,855 11.337,856 6.186,857 9.13,858 1.347,859 11.248,860 3.502,861 6.976,862 8.27,863 3.13,864 13.482,865 6.629,866 10.546,867 1.209,868 13.1,869 2.99,870 8.441,871 10.036,872 4.134,873 16.24,874 8.074,875 11.994,876 1,877 14.994,878 2.754,879 9.39,880 11.271,881 4.539,882 18.727,883 8.912,884 13.469,885 1,886 16.922,887 2.275,888 10.69,889 12.882,890 5.382,891 21.408,892 10.169,893 3.601,894 0.745,895 18.876,896 2.275,897 11.815,898 14.293,899 5.912,900 24.01,901 11.195,902 2.906,903 14.347,904 20.851,905 1.805,906 13.072,907 15.857,908 6.67,909 26.675,910 12.391,911 2.81,912 9.881,913 22.843,914 4.785,915 14.277,916 17.348,917 7.263,918 29.317,919 13.504,920 2.574,921 8.701,922 24.847,923 3.826,924 15.53,925 18.902,926 7.976,927 31.979,928 14.686,929 2.425,930 7.426,931 26.862,932 3.48,933 16.771,934 20.431,935 8.602,936 34.634,937 15.841,938 2.365,939 7.136,940 28.886,941 3.397,942 18.032,943 21.985,944 9.292,945 37.296,946 17.025,947 2.175,948 6.652,949 30.915,950 3.132,951 19.29,952 23.531,953 9.936,954 39.957,955 18.201,956 19042,957 31901,958 26.929,959 46.193,960 60.441,961 62.194,962 61.309,963 60.331,964 60.103,965 76.003,966 7.106,967 176.299,968 56.818,969 5.978,970 6.735,971 7.485,972 5.612,973 5.601,974 7.785,975 3.348,976 22.838,977 5.341,978 15.698,979 1.511,980 1.555,981 1.533,982 1.508,983 1.503,984 1.9,985 0.178,986 4.407,987 1.42,988 4.138,989 4.135,990 4.746,991 4.108,992 7.715,993 4.037,994 3.927,995 3.965,996 4.217,997 3.917,998 7.427,999 3.848,1000 3.9,1001 3.922,1002 3.933,1003 3.862,1004 6.999,1005 3.832,1006 3.816,1007 3.843,1008 3.872,1009 3.701,1010 4.929,1011 3.696,1012 3.639,1013 3.668,1014 3.761,1015 3.565,1016 4.741,1017 3.519,1018 3.534,1019 3.517,1020 3.483,1021 3.434,1022 4.681,1023 3.384,1024 3.352,1025 3.416,1026 3.237,1027 3.161,1028 4.343,1029 3.167,1030 3.163,1031 3.245,1032 3.155,1033 2.965,1034 4.259,1035 2.957,1036 0.124,1037 0.118,1038 0.195,1039 0.113,1040 0.09,1041 4.978,1042 0.12,1043 4.735,1044 0.049,1045 7.802,1046 0.359,1047 4.532,1048 0.084,1049 3.601,1050 4.785,1051 1.94,1052 14.347,1053 3.341,1054 2.023,1055 2.019,1056 2.098,1057 2.117,1058 1.432,1059 2.139,1060 1.897,1061 1.881,1062 2.036,1063 2.03,1064 1.39,1065 2.039,1066 1.842,1067 1.784,1068 1.947,1069 1.956,1070 1.136,1071 1.984,1072 1.625,1073 1.586,1074 1.811,1075 1.778,1076 1.02,1077 1.791,1078 1.552,1079 1.516,1080 1.728,1081 1.685,1082 0.955,1083 1.71,1084 1.403,1085 1.407,1086 1.555,1087 1.532,1088 0.825,1089 1.559,1090 1.366,1091 1.38,1092 1.513,1093 1.501,1094 0.779,1095 1.551,1096 1.28,1097 1.231,1098 1.496,1099 1.443,1100 0.652,1101 1.483,1102 4.394,1104 5.733,1105 2.398,1106 7.27,1107 4.443,1108 8.9,1109 6.26,1110 10.584,1112 6.005,1116 5.56,1117 3.6,1120 -0.04,1121 3.374,1123 42.785,1124 111.832,1125 239.843,1126 318.201,1127 358.93,1128 360.93,1129 360.93,1130 86.482,1131 8.283,1132 69.72,1133 106.34,1134 29,1135 12.924,1136 4.392,1137 3.644,1138 54.479,1139 166,1140 202,1141 0.154,1142 269.416,1143 469,1144 649.136,1145 53526,1146 1.5,1147 25.123,1148 0.698,1149 0.621,1150 26.226,1151 22.365,1152 17.414,1153 0.435,1154 0.376,1155 12.45,1156 15.416,1157 11.976,1158 9.806,1159 18.945,1160 15.028,1161 16.071,1162 0.282,1163 0.222,1164 18.371,1165 12.679,1166 13.601,1167 0.179,1168 0.133,1169 15.85,1170 10.09,1171 11.211,1172 0.113,1173 0.077,1174 13.298,1175 7.624,1176 8.867,1177 0.071,1178 0.045,1179 10.658,1180 5.671,1181 0.243,1182 123.171,1183 0.193,1184 33.081,1185 0.417,1186 194,1187 528.754,1188 285.427,1189 583.076,1190 781.99,1191 540,1192 230,1193 504.215,1194 321.91,1195 570.381,1196 836.97,1197 538,1198 5} {0 CHEMBL575574,1 1.672,2 14.757,3 5.315,4 28.244,5 152.048,6 8.09,7 0.415,8 4.322,9 4.426,10 4.101,11 3.962,12 5.286,13 3.884,14 4.917,15 5.077,16 4.451,17 4.393,18 6.012,19 4.286,20 5.243,21 5.455,22 4.524,23 4.553,24 6.19,25 4.413,26 5.337,27 5.548,28 4.489,29 4.565,30 6.386,31 4.428,32 5.37,33 5.595,34 4.486,35 4.571,36 6.408,37 4.43,38 5.327,39 5.545,40 4.478,41 4.555,42 6.402,43 4.42,44 5.284,45 5.516,46 4.35,47 4.519,48 6.345,49 4.364,50 5.255,51 5.511,52 4.306,53 4.443,54 6.153,55 4.273,56 0.072,57 1.003,58 16.679,59 7.198,60 15.435,61 8.777,62 0.375,63 1.731,64 30.77,65 12.641,66 53.357,67 15.793,68 0.371,69 2.289,70 54.372,71 18.581,72 57.757,73 22.465,74 0.593,75 2.405,76 59.657,77 20.124,78 98.921,79 23.412,80 0.734,81 2.382,82 63.517,83 21.358,84 121.434,85 25.084,86 0.8,87 2.294,88 57.455,89 19.839,90 127.116,91 24.392,92 0.661,93 2.264,94 50.841,95 18.786,96 119.528,97 24.416,98 0.359,99 2.132,100 54.034,101 18.998,102 65.536,103 24.366,104 17,105 58,106 0.261,107 0.561,108 0.748,109 0.85,110 0.864,111 0.864,112 3.642,113 1.136,114 -5.11,115 -5.01,116 -4.69,117 40.6,119 6,123 3,124 2,126 10,127 1,128 3,132 1,133 1,134 1,139 10,140 4,141 8,145 2,147 14,151 12,155 2,157 11,160 17,162 1,164 1,166 8,168 2,169 10,175 19,178 7,180 1,182 1,184 21,186 4,187 8,191 1,193 13,197 9,203 8,207 12,209 1,211 1,213 10,216 2879,217 25.048,218 25.048,219 25.048,220 25.048,221 25.048,222 22.553,223 34.131,224 14.726,225 25.741,226 20.221,227 20.221,228 20.221,229 20.221,230 20.221,231 16.437,232 52.959,233 6.982,234 21.419,235 4.436,236 2.518,237 1.322,238 0.667,239 0.58,240 0.58,241 4.346,242 1,244 1,245 1199,246 4.183,249 117.472,250 449.624,252 186.529,253 2.114,254 45.976,256 0.75,257 0.83,258 0.83,259 0.7,260 0.5,261 0.83,262 1,263 0.78,264 78.833,265 546,266 4.978,267 4.735,268 7.801,269 4.531,270 3.6,271 4.785,272 1.94,273 14.344,274 3.338,275 4.232,276 3.718,277 6.49,278 3.847,279 2.886,280 3.826,281 0.657,282 9.859,283 2.76,284 3.968,285 3.245,286 6.031,287 3.783,288 2.821,289 3.48,290 0.555,291 8.596,292 2.709,293 3.92,294 2.895,295 5.724,296 3.495,297 2.571,298 3.396,299 0.4,300 7.458,301 2.396,302 3.839,303 2.842,304 5.416,305 3.37,306 2.426,307 3.113,309 7.161,310 2.281,311 3.47,312 2.592,313 5.239,314 3.302,315 2.353,316 2.561,318 6.661,319 2.2,320 3.397,321 2.507,322 5.149,323 3.194,324 2.246,325 2.456,327 6.253,328 2.088,329 3.066,330 2.147,331 4.894,332 2.715,333 1.758,334 2.224,336 5.138,337 1.652,338 2.926,339 1.977,340 4.494,341 2.518,342 1.536,343 2.07,345 4.197,346 1.492,347 2.853,348 1.641,349 4.188,350 2.424,351 1.453,352 1.974,354 3.811,355 1.388,356 2.699,357 1.456,358 3.685,359 2.371,360 1.385,361 1.739,363 3.03,364 1.34,365 2.561,366 1.451,367 3.557,368 2.217,369 1.263,370 1.535,372 2.774,373 1.193,374 2.5,375 1.095,376 3.516,377 2,378 1,379 1.5,381 2.275,382 1,383 2.118,384 1.077,385 3.414,386 1.984,387 1,388 1,390 2.275,391 0.983,392 2.012,393 1,394 3.414,395 1.763,396 0.767,397 0.927,399 1.816,400 0.761,401 18.581,402 0.502,403 0.93,404 0.025,405 44.25,406 1.196,407 21,408 0.568,409 23.25,410 0.628,411 39.949,412 1.08,413 40.219,414 0.583,415 34.974,416 0.945,417 7.888,418 0.213,419 10.026,420 0.271,421 0.092,422 0.045,423 0.258,425 0.522,426 1.288,427 0.723,428 1.065,429 0.568,430 0.944,431 0.634,432 1.145,433 0.801,434 0.936,435 0.515,436 0.988,437 0.994,438 1.127,439 1.044,440 1.078,441 0.796,442 1.001,443 1.432,444 1.034,445 1.087,446 1.059,447 1.454,448 1.029,449 1.361,450 0.876,451 0.854,452 0.887,453 1.637,454 0.904,455 1.049,456 0.976,457 0.839,458 0.963,459 1.292,460 0.986,461 0.676,462 1.053,463 0.785,464 0.956,465 0.681,466 1.049,467 0.812,468 1.001,469 0.818,470 0.906,471 0.724,472 0.945,473 7.5,474 0.176,475 5.111,476 2.722,477 2.414,478 1.51,479 0.757,480 0.689,481 0.605,482 0.303,483 22838,484 62004,485 2.11,486 46.4,487 2,488 18,489 1,491 1,492 2,493 4,494 4,495 1.78,496 1.991,497 3.759,498 -0.365,500 115.372,501 1.672,502 3.591,503 4.787,504 5.442,505 5.529,506 5.529,507 3.26,508 4.594,509 5.175,510 3.996,511 2661.02,512 9.107,513 43943.1,516 421.488,517 1.444,518 5.144,519 0.183,520 0.005,521 0.088,522 0.045,523 0.042,524 0.026,525 0.013,526 0.013,527 0.013,528 0.007,529 0.436,530 0.17,531 0.75,532 0.488,533 204.99,534 0.084,535 -0.122,536 0.134,537 -0.028,538 -0.072,539 0.03,540 0.19,541 -0.024,542 0.032,543 0.013,544 0.177,545 -0.044,546 -0.071,547 -0.064,548 -0.044,549 -0.062,550 0.017,551 -0.028,552 -0.174,553 -0.008,554 -0.126,555 -0.07,556 -0.087,557 -0.081,558 -0.104,559 0.084,560 0.014,561 0.073,562 -0.128,563 0.056,564 0.061,565 -0.022,566 0.011,567 -0.034,568 -0.022,569 -0.02,570 0.168,571 -0.081,572 -0.012,573 -0.065,574 0.17,575 -0.08,576 0.016,577 -0.063,578 0.074,579 0.01,580 0.043,581 0.046,582 4.721,583 6.782,584 0.73,585 47.116,586 1,587 1.118,588 3.882,589 15.069,590 0.695,591 3.738,592 4.078,593 4.357,594 4.605,595 4.828,596 4.905,597 5.011,598 5.124,599 5.236,600 5.242,601 8.47,602 0.642,603 558.22,604 3.738,605 5.293,606 6.151,607 7.036,608 7.913,609 8.807,610 9.693,611 10.593,612 11.486,613 12.391,614 4.3,616 1,619 1,620 1,624 11,626 1,627 5,628 17,633 1,634 69,635 20,636 2,637 41,638 73,639 28,640 16,641 4,642 8,644 5,645 6,646 1,652 6,654 8,655 17,656 11,658 3,659 1,660 3,662 1,665 32,666 6,667 1,668 9,669 3,670 3,672 0.8,673 3,679 1,680 4,682 1,685 1,687 1,692 4,694 2,696 1,698 37,700 1,702 9,703 1,706 2,707 2,709 1,710 1,711 4.3,714 3,717 18.583,718 11.96,719 8.028,720 4.345,721 2.566,722 1.309,723 0.997,724 8.548,725 10.877,726 3.98,727 4.546,728 5.02,729 5.492,730 5.874,731 6.03,732 6.261,733 6.48,734 6.741,735 6.893,736 0.9,737 60,738 14.139,739 6.453,740 7.73,741 26.963,742 23.359,743 2.23,744 82.528,748 364.904,749 178.078,750 22.654,751 39.149,752 69.458,754 37.085,755 140.993,756 473.511,757 22.654,759 24.649,760 126.23,761 74.163,762 12.512,763 13.13,764 384.411,765 39.149,766 364.904,767 163.646,768 69.458,769 76.234,770 270.735,771 163.627,773 42.659,774 120.987,775 44.956,776 31.278,777 364.904,778 92.112,779 217.226,780 5.807,781 364.904,782 69.859,783 107.054,784 18.011,785 108.607,786 364.904,787 92.112,788 217.226,789 0.586,790 0.344,791 0.181,792 0.097,793 28,794 12,795 0.11,796 8,797 1,798 1.074,799 4.743,800 362.222,801 0.074,802 27,803 182.75,804 1,805 1,806 26.676,807 11.857,808 6.221,810 92.112,811 20.243,813 1.754,814 3.747,815 18.011,816 674.242,817 52.5,818 -3.804,819 40.69,821 0.111,822 69.018,823 77.135,824 0.274,825 0.588,826 0.784,827 0.891,828 0.905,829 0.905,830 5.238,831 1.758,832 6.155,833 6.253,834 4.762,835 5.234,836 2.183,837 7.009,838 4.654,839 6.438,840 1.536,841 7.746,842 5.138,843 4.443,844 5.173,845 1.668,846 8.217,847 4.224,848 7.765,849 1.453,850 9.458,851 4.197,852 6.425,853 7.433,854 2.989,855 11.333,856 6.198,857 9.135,858 1.385,859 11.25,860 3.811,861 6.976,862 8.27,863 3.13,864 13.479,865 6.629,866 10.55,867 1.263,868 13.1,869 3.03,870 8.444,871 10.037,872 4.134,873 16.235,874 8.078,875 11.996,876 1,877 14.994,878 2.774,879 9.388,880 11.27,881 4.539,882 18.724,883 8.908,884 13.47,885 1,886 16.921,887 2.275,888 10.688,889 12.881,890 5.382,891 21.404,892 10.167,893 3.6,894 0.767,895 18.874,896 2.275,897 11.811,898 14.292,899 5.912,900 24.008,901 11.187,902 2.886,903 14.344,904 20.849,905 1.816,906 13.068,907 15.856,908 6.67,909 26.672,910 12.383,911 2.821,912 9.859,913 22.84,914 4.785,915 14.271,916 17.348,917 7.263,918 29.314,919 13.494,920 2.571,921 8.596,922 24.845,923 3.826,924 15.525,925 18.902,926 7.976,927 31.976,928 14.675,929 2.426,930 7.458,931 26.86,932 3.48,933 16.765,934 20.43,935 8.602,936 34.631,937 15.829,938 2.353,939 7.161,940 28.883,941 3.396,942 18.025,943 21.985,944 9.292,945 37.294,946 17.012,947 2.246,948 6.661,949 30.913,950 3.113,951 19.284,952 23.531,953 9.936,954 39.954,955 18.188,956 21238,957 35245,958 27.622,959 47.955,960 61.887,961 63.437,962 62.586,963 61.701,964 61.502,965 77.418,966 7.106,967 179.16,968 58.217,969 5.978,970 6.735,971 7.485,972 5.609,973 5.6,974 7.785,975 3.348,976 22.831,977 5.338,978 16.14,979 1.509,980 1.547,981 1.526,982 1.505,983 1.5,984 1.888,985 0.173,986 4.37,987 1.42,988 4.138,989 4.135,990 4.746,991 4.109,992 7.715,993 4.038,994 3.928,995 3.969,996 4.217,997 3.917,998 7.427,999 3.848,1000 3.902,1001 3.923,1002 3.932,1003 3.862,1004 6.999,1005 3.834,1006 3.82,1007 3.846,1008 3.87,1009 3.706,1010 4.929,1011 3.701,1012 3.658,1013 3.699,1014 3.77,1015 3.574,1016 4.741,1017 3.539,1018 3.563,1019 3.545,1020 3.512,1021 3.475,1022 4.681,1023 3.414,1024 3.404,1025 3.453,1026 3.3,1027 3.242,1028 4.344,1029 3.238,1030 3.214,1031 3.305,1032 3.155,1033 3.003,1034 4.26,1035 3.001,1036 0.121,1037 0.115,1038 0.19,1039 0.111,1040 0.088,1041 4.978,1042 0.117,1043 4.735,1044 0.047,1045 7.801,1046 0.35,1047 4.531,1048 0.081,1049 3.6,1050 4.785,1051 1.94,1052 14.344,1053 3.338,1054 2.024,1055 2.019,1056 2.102,1057 2.117,1058 1.445,1059 2.14,1060 1.897,1061 1.881,1062 2.04,1063 2.036,1064 1.398,1065 2.043,1066 1.846,1067 1.788,1068 1.947,1069 1.956,1070 1.139,1071 1.985,1072 1.663,1073 1.618,1074 1.865,1075 1.813,1076 1.105,1077 1.831,1078 1.559,1079 1.522,1080 1.73,1081 1.699,1082 0.958,1083 1.72,1084 1.419,1085 1.427,1086 1.641,1087 1.579,1088 0.861,1089 1.603,1090 1.384,1091 1.382,1092 1.516,1093 1.501,1094 0.825,1095 1.551,1096 1.352,1097 1.314,1098 1.513,1099 1.484,1100 0.655,1101 1.535,1102 4.419,1104 5.753,1105 2.398,1106 7.284,1107 4.443,1108 8.909,1109 6.26,1110 10.587,1112 6.011,1116 6.536,1117 3.609,1120 0.144,1121 3.487,1123 44.312,1124 115.372,1125 247.777,1126 330.269,1127 375.488,1128 381.488,1129 381.488,1130 89.304,1131 8.312,1132 69.72,1133 106.34,1134 29,1135 12.912,1136 4.392,1137 3.644,1138 56.891,1139 183,1140 216,1141 0.145,1142 279.009,1143 486.3,1144 672.542,1145 57393,1146 1.4,1147 25.83,1148 0.698,1149 0.624,1150 26.933,1151 23.072,1152 17.914,1153 0.437,1154 0.379,1155 12.95,1156 15.916,1157 12.468,1158 10.215,1159 19.445,1160 15.528,1161 16.413,1162 0.283,1163 0.224,1164 18.713,1165 13.014,1166 13.919,1167 0.181,1168 0.135,1169 16.168,1170 10.371,1171 11.313,1172 0.114,1173 0.079,1174 13.408,1175 7.849,1176 8.972,1177 0.072,1178 0.047,1179 10.753,1180 5.84,1181 0.232,1182 126.171,1183 0.19,1184 34.043,1185 0.387,1186 198,1187 532.754,1188 289.427,1189 587.152,1190 787.71,1191 544,1192 234,1193 508.215,1194 325.91,1195 574.322,1196 842.16,1197 542,1198 5} {0 CHEMBL575773,1 1.651,2 15.605,3 5.771,4 33.301,5 156.649,6 7.948,7 0.405,8 4.36,9 4.466,10 4.12,11 3.995,12 5.313,13 3.915,14 4.958,15 5.121,16 4.467,17 4.425,18 6.035,19 4.315,20 5.286,21 5.503,22 4.538,23 4.586,24 6.215,25 4.441,26 5.376,27 5.592,28 4.504,29 4.597,30 6.408,31 4.455,32 5.408,33 5.637,34 4.485,35 4.604,36 6.417,37 4.457,38 5.371,39 5.596,40 4.444,41 4.603,42 6.405,43 4.446,44 5.336,45 5.579,46 4.305,47 4.543,48 6.209,49 4.374,50 5.275,51 5.537,52 4.301,53 4.425,54 6.31,55 4.257,56 0.078,57 1.043,58 17.769,59 7.559,60 15.45,61 9.34,62 0.387,63 1.799,64 32.736,65 13.29,66 54.582,67 16.793,68 0.386,69 2.373,70 56.912,71 19.4,72 58.809,73 23.793,74 0.604,75 2.486,76 62.123,77 20.911,78 97.823,79 24.741,80 0.701,81 2.466,82 65.743,83 21.963,84 122.222,85 26.123,86 0.833,87 2.39,88 60.6,89 21.489,90 123.283,91 26.648,92 0.443,93 2.34,94 55.258,95 20.172,96 77.073,97 26.382,98 0.693,99 2.129,100 51.902,101 18.153,102 121.222,103 24.282,104 17,105 59,106 0.256,107 0.55,108 0.744,109 0.862,110 0.866,111 0.866,112 3.668,113 1.145,114 -5.3,115 -5.19,116 -4.85,117 40.3,119 7,123 3,124 2,126 10,127 1,128 3,132 1,133 1,134 1,139 11,140 4,141 8,145 2,147 15,151 12,155 2,157 11,160 20,162 1,164 1,166 9,169 8,175 20,177 2,178 9,180 1,182 1,184 25,187 4,191 1,193 15,196 4,197 7,201 1,203 11,207 10,213 8,216 3098,217 25.755,218 25.755,219 25.755,220 25.755,221 25.755,222 23.261,223 34.131,224 15.212,225 26.448,226 20.721,227 20.721,228 20.721,229 20.721,230 20.721,231 16.937,232 51.041,233 7.209,234 21.919,235 4.519,236 2.625,237 1.367,238 0.611,239 0.583,240 0.583,241 4.371,242 1,244 1,245 1301,246 4.301,249 123.333,250 472.779,252 195.742,253 2.226,254 45.735,256 0.75,257 0.83,258 0.67,259 0.7,260 0.5,261 0.83,262 1,263 0.75,264 80.833,265 593,266 4.978,267 4.735,268 7.801,269 4.531,270 3.6,271 4.785,272 1.94,273 14.344,274 3.338,275 4.232,276 3.717,277 6.489,278 3.844,279 2.882,280 3.826,281 0.657,282 9.859,283 2.757,284 3.966,285 3.247,286 6.029,287 3.785,288 2.824,289 3.48,290 0.555,291 8.589,292 2.709,293 3.92,294 2.895,295 5.725,296 3.492,297 2.57,298 3.396,299 0.4,300 7.461,301 2.389,302 3.84,303 2.842,304 5.416,305 3.372,306 2.426,307 3.11,309 7.163,310 2.297,311 3.46,312 2.59,313 5.239,314 3.301,315 2.346,316 2.565,318 6.663,319 2.205,320 3.423,321 2.515,322 5.15,323 3.22,324 2.274,325 2.462,327 6.254,328 2.105,329 3.07,330 2.148,331 4.894,332 2.719,333 1.764,334 2.231,336 5.136,337 1.653,338 2.926,339 1.989,340 4.494,341 2.568,342 1.588,343 2.071,345 4.197,346 1.546,347 2.859,348 1.647,349 4.215,350 2.459,351 1.484,352 1.982,354 3.942,355 1.425,356 2.716,357 1.48,358 3.705,359 2.376,360 1.394,361 1.75,363 3.05,364 1.341,365 2.588,366 1.451,367 3.565,368 2.236,369 1.284,370 1.584,372 2.786,373 1.211,374 2.5,375 1.337,376 3.519,377 2,378 1,379 1.5,381 2.275,382 1,383 2.151,384 1.077,385 3.414,386 1.984,387 1,388 1.071,390 2.275,391 0.983,392 2.118,393 1,394 3.414,395 1.977,396 0.967,397 1,399 2.178,400 0.969,401 19.081,402 0.502,403 0.93,404 0.024,405 44.75,406 1.178,407 21,408 0.553,409 23.75,410 0.625,411 41.922,412 1.103,413 41.519,414 0.577,415 35.045,416 0.922,417 7.888,418 0.208,419 10.526,420 0.277,421 0.09,422 0.044,423 0.252,425 0.523,426 1.294,427 0.732,428 1.074,429 0.568,430 0.959,431 0.632,432 1.155,433 0.807,434 0.949,435 0.513,436 1.003,437 0.983,438 1.12,439 1.033,440 1.07,441 0.789,442 0.996,443 1.42,444 1.032,445 1.077,446 1.052,447 1.441,448 1.022,449 1.429,450 0.89,451 0.874,452 0.886,453 1.651,454 0.911,455 0.93,456 0.934,457 0.897,458 0.99,459 1.162,460 1.021,461 0.8,462 1.087,463 0.786,464 0.997,465 0.918,466 1.064,467 0.722,468 0.92,469 0.692,470 0.765,471 0.661,472 0.907,473 7.5,474 0.217,475 5.111,476 2.847,477 2.414,478 1.455,479 0.655,480 0.615,481 0.551,482 0.403,483 25377,484 67701,485 2.107,486 47.2,487 4,488 18,489 1,491 1,492 2,493 4,494 4,495 1.785,496 1.991,497 3.831,498 -0.374,500 118.87,501 1.651,502 3.545,503 4.803,504 5.559,505 5.587,506 5.587,507 3.35,508 4.722,509 5.214,510 4.082,511 2869.4,512 9.177,513 49259.9,516 444.235,517 1.425,518 5.183,519 0.179,520 0.005,521 0.087,522 0.047,523 0.041,524 0.025,525 0.012,526 0.013,527 0.012,528 0.009,529 0.429,530 0.17,531 0.75,532 0.48,533 213.603,534 0.087,535 -0.119,536 0.135,537 -0.026,538 -0.069,539 0.03,540 0.193,541 -0.032,542 0.033,543 0.007,544 0.179,545 -0.049,546 -0.06,547 -0.06,548 -0.033,549 -0.054,550 0.022,551 -0.019,552 -0.16,553 -0.006,554 -0.114,555 -0.064,556 -0.074,557 -0.072,558 -0.166,559 0.076,560 -0.004,561 0.072,562 -0.142,563 0.047,564 0.101,565 0.021,566 -0.029,567 -0.039,568 0.012,569 -0.042,570 -0.01,571 -0.144,572 -0.01,573 -0.093,574 -0.081,575 -0.079,576 0.206,577 0.007,578 0.122,579 0.077,580 0.218,581 0.057,582 4.684,583 6.778,584 0.711,585 49.848,586 0.999,587 1.119,588 4.075,589 16.602,590 0.691,591 3.761,592 4.094,593 4.369,594 4.615,595 4.828,596 4.898,597 4.984,598 5.094,599 5.193,600 5.193,601 8.963,602 0.637,603 572.25,604 3.761,605 5.313,606 6.168,607 7.05,608 7.924,609 8.815,610 9.699,611 10.596,612 11.486,613 12.389,614 4.2,616 1,619 1,620 1,624 11,626 1,627 5,628 17,633 1,634 72,635 20,636 2,637 42,638 76,639 29,640 16,641 4,642 8,644 5,645 6,646 1,652 6,654 9,655 17,656 12,658 3,659 1,660 3,662 1,665 34,666 6,667 1,668 9,669 3,670 3,672 0.8,673 3,679 1,680 4,682 1,685 1,687 1,692 4,694 2,696 1,698 38,700 1,702 10,703 1,706 2,707 2,709 1,710 1,711 4.2,714 3,717 19.083,718 12.46,719 8.278,720 4.595,721 2.55,722 1.306,723 0.994,724 9.094,725 10.891,726 3.998,727 4.557,728 5.026,729 5.496,730 5.871,731 6.026,732 6.236,733 6.46,734 6.71,735 6.858,736 1,737 61,738 14.504,739 6.577,740 7.711,741 27.78,742 24.026,743 2.211,744 84.028,748 388.446,749 180.612,750 22.654,751 39.149,752 69.458,754 37.085,755 143.527,756 497.053,757 22.654,759 27.183,760 126.23,761 74.163,762 12.512,763 13.13,764 407.953,765 39.149,766 388.446,767 166.181,768 69.458,769 76.234,770 294.278,771 163.627,773 45.194,774 120.987,775 44.956,776 31.278,777 388.446,778 92.112,779 219.761,780 5.807,781 388.446,782 72.393,783 107.054,784 18.011,785 108.607,786 388.446,787 92.112,788 219.761,789 0.584,790 0.342,791 0.181,792 0.097,793 28,794 12,795 0.118,796 9,797 1,798 1.074,799 4.866,800 370.18,801 0.074,802 27,803 189.421,804 1,805 1,806 27.638,807 12.504,808 6.637,810 92.112,811 20.372,813 1.761,814 3.839,815 18.011,816 700.319,817 53.5,818 -3.767,819 40.539,821 0.171,822 71.901,823 80.55,824 0.268,825 0.575,826 0.778,827 0.901,828 0.905,829 0.905,830 5.254,831 1.764,832 6.168,833 6.254,834 4.779,835 5.244,836 2.183,837 7.017,838 4.673,839 6.449,840 1.588,841 7.755,842 5.136,843 4.443,844 5.173,845 1.668,846 8.217,847 4.224,848 7.773,849 1.484,850 9.464,851 4.197,852 6.435,853 7.436,854 2.989,855 11.334,856 6.21,857 9.141,858 1.394,859 11.254,860 3.942,861 6.976,862 8.27,863 3.13,864 13.479,865 6.629,866 10.553,867 1.284,868 13.102,869 3.05,870 8.448,871 10.038,872 4.134,873 16.235,874 8.084,875 11.999,876 1,877 14.995,878 2.786,879 9.388,880 11.27,881 4.539,882 18.724,883 8.908,884 13.472,885 1,886 16.921,887 2.275,888 10.69,889 12.881,890 5.382,891 21.404,892 10.169,893 3.6,894 0.967,895 18.875,896 2.275,897 11.811,898 14.292,899 5.912,900 24.008,901 11.187,902 2.882,903 14.344,904 20.849,905 2.178,906 13.068,907 15.856,908 6.67,909 26.672,910 12.384,911 2.824,912 9.859,913 22.84,914 4.785,915 14.271,916 17.348,917 7.263,918 29.314,919 13.493,920 2.57,921 8.589,922 24.845,923 3.826,924 15.524,925 18.902,926 7.976,927 31.976,928 14.675,929 2.426,930 7.461,931 26.86,932 3.48,933 16.765,934 20.43,935 8.602,936 34.631,937 15.828,938 2.346,939 7.163,940 28.883,941 3.396,942 18.025,943 21.985,944 9.292,945 37.294,946 17.011,947 2.274,948 6.663,949 30.913,950 3.11,951 19.283,952 23.531,953 9.936,954 39.954,955 18.186,956 23590,957 38795,958 28.315,959 49.716,960 62.987,961 64.702,962 63.943,963 62.907,964 62.666,965 78.569,966 7.106,967 181.413,968 59.381,969 5.978,970 6.735,971 7.485,972 5.609,973 5.6,974 7.785,975 3.348,976 22.83,977 5.338,978 16.566,979 1.5,980 1.541,981 1.522,982 1.498,983 1.492,984 1.871,985 0.169,986 4.319,987 1.414,988 4.138,989 4.135,990 4.746,991 4.109,992 7.715,993 4.038,994 3.929,995 3.973,996 4.217,997 3.917,998 7.427,999 3.848,1000 3.904,1001 3.924,1002 3.932,1003 3.862,1004 6.999,1005 3.834,1006 3.823,1007 3.848,1008 3.869,1009 3.711,1010 4.929,1011 3.706,1012 3.679,1013 3.729,1014 3.775,1015 3.585,1016 4.742,1017 3.559,1018 3.584,1019 3.576,1020 3.536,1021 3.506,1022 4.681,1023 3.439,1024 3.446,1025 3.476,1026 3.35,1027 3.304,1028 4.345,1029 3.29,1030 3.262,1031 3.349,1032 3.156,1033 3.05,1034 4.26,1035 3.053,1036 0.119,1037 0.113,1038 0.186,1039 0.108,1040 0.086,1041 4.978,1042 0.114,1043 4.735,1044 0.046,1045 7.801,1046 0.342,1047 4.531,1048 0.079,1049 3.6,1050 4.785,1051 1.94,1052 14.344,1053 3.338,1054 2.024,1055 2.02,1056 2.105,1057 2.116,1058 1.454,1059 2.14,1060 1.897,1061 1.881,1062 2.043,1063 2.04,1064 1.401,1065 2.046,1066 1.848,1067 1.79,1068 1.947,1069 1.957,1070 1.19,1071 1.986,1072 1.697,1073 1.647,1074 1.912,1075 1.846,1076 1.133,1077 1.87,1078 1.564,1079 1.528,1080 1.735,1081 1.712,1082 0.961,1083 1.729,1084 1.471,1085 1.455,1086 1.697,1087 1.625,1088 0.916,1089 1.655,1090 1.396,1091 1.384,1092 1.523,1093 1.502,1094 0.825,1095 1.551,1096 1.36,1097 1.357,1098 1.513,1099 1.499,1100 0.703,1101 1.545,1102 4.443,1104 5.771,1105 2.398,1106 7.298,1107 4.443,1108 8.918,1109 6.26,1110 10.593,1112 6.017,1116 7.667,1117 3.616,1120 0.251,1121 3.562,1123 45.839,1124 118.87,1125 255.244,1126 345.796,1127 400.235,1128 402.235,1129 402.235,1130 92.341,1131 8.34,1132 69.72,1133 106.34,1134 29,1135 12.912,1136 4.392,1137 3.644,1138 59.349,1139 201,1140 230,1141 0.138,1142 288.601,1143 503.6,1144 695.947,1145 61377,1146 1.4,1147 26.537,1148 0.698,1149 0.626,1150 27.641,1151 23.779,1152 18.414,1153 0.438,1154 0.382,1155 13.45,1156 16.416,1157 12.958,1158 10.632,1159 19.945,1160 16.028,1161 16.767,1162 0.284,1163 0.227,1164 19.066,1165 13.367,1166 14.161,1167 0.182,1168 0.136,1169 16.41,1170 10.608,1171 11.538,1172 0.115,1173 0.08,1174 13.633,1175 8.048,1176 9.044,1177 0.073,1178 0.048,1179 10.83,1180 5.999,1181 0.223,1182 129.171,1183 0.188,1184 34.992,1185 0.362,1186 202,1187 536.754,1188 293.427,1189 591.313,1190 793.47,1191 548,1192 238,1193 512.215,1194 329.91,1195 578.483,1196 847.9,1197 546,1198 5.489} {0 CHEMBL575796,1 1.598,2 15.225,3 4.602,4 21.176,5 159.517,6 7.155,7 0.279,8 4.492,9 4.6,10 4.216,11 4.028,12 5.408,13 3.956,14 5.117,15 5.297,16 4.501,17 4.445,18 6.249,19 4.35,20 5.415,21 5.626,22 4.667,23 4.677,24 6.355,25 4.546,26 5.58,27 5.796,28 4.712,29 4.743,30 6.66,31 4.603,32 5.611,33 5.84,34 4.679,35 4.737,36 6.661,37 4.595,38 5.577,39 5.796,40 4.692,41 4.706,42 6.636,43 4.579,44 5.54,45 5.755,46 4.647,47 4.717,48 6.732,49 4.582,50 5.606,51 5.856,52 4.543,53 4.694,54 6.545,55 4.529,56 0.137,57 1.219,58 25.795,59 8.953,60 26.492,61 11.385,62 0.708,63 1.99,64 43.553,65 15.116,66 99.626,67 19.534,68 0.522,69 2.598,70 65.151,71 21.205,72 72.08,73 26.612,74 1.164,75 2.841,76 79.062,77 24.287,78 151.148,79 30.126,80 1.069,81 2.83,82 83.895,83 25.049,84 160.493,85 30.956,86 1.385,87 2.702,88 75.958,89 22.895,90 184.606,91 29.276,92 1.096,93 2.724,94 69.191,95 23.039,96 209.454,97 29.717,98 0.826,99 2.775,100 78.141,101 24.423,102 123.561,103 31.492,104 77,105 62,106 0.243,107 0.505,108 0.746,109 0.835,110 0.842,111 0.853,112 3.718,113 1.198,114 -3.61,115 -3.58,116 -3.41,117 34.9,118 2,119 6,120 1,122 2,123 4,124 2,126 7,127 1,128 4,139 10,140 6,141 9,145 3,147 12,151 11,155 1,157 7,159 4,160 20,162 1,164 2,166 7,168 3,169 9,175 11,177 3,178 10,180 2,184 16,186 6,187 12,191 1,193 9,197 18,203 4,206 3,207 18,209 1,211 1,213 5,216 3562,217 26.451,218 26.451,219 26.451,220 26.451,221 26.451,222 24.444,223 38.11,224 15.313,225 27.259,226 21.059,227 21.059,228 21.059,229 21.059,230 21.059,231 17.714,232 59.237,233 7.047,234 22.186,235 4.777,236 3.051,237 1.463,238 0.88,239 0.832,240 0.759,241 4.405,244 1,245 1285,246 5.148,250 494.25,252 203.558,253 2.148,254 64.488,256 0.75,257 0.5,258 0.67,259 0.9,260 1,261 0.67,262 0.5,263 0.71,264 87.5,265 609,266 5.004,267 4.758,268 7.843,269 4.555,270 3.626,271 4.821,272 0.86,273 14.542,274 3.353,275 4.792,276 4.513,277 7.293,278 4.305,279 3.375,280 4.555,281 0.86,282 12.407,283 3.118,284 4.271,285 3.267,286 6.592,287 3.906,288 2.948,289 3.858,290 0.4,291 10.237,292 2.813,293 4.011,294 2.916,295 5.918,296 3.553,297 2.591,298 3.602,299 0.4,300 8.15,301 2.491,302 3.54,303 2.742,304 5.541,305 3.478,306 2.515,307 2.709,308 0.4,309 7.143,310 2.418,311 3.475,312 2.569,313 5.371,314 3.255,315 2.289,316 2.545,318 7.025,319 2.209,320 3.327,321 2.444,322 5.16,323 3.199,324 2.203,325 2.447,327 6.083,328 2.19,329 3.209,330 2.308,331 4.841,332 2.981,333 2.051,334 2.21,336 5.189,337 1.896,338 2.948,339 2.157,340 4.722,341 2.631,342 1.696,343 2.091,345 4.965,346 1.606,347 2.863,348 1.93,349 4.645,350 2.611,351 1.656,352 1.984,354 4.716,355 1.546,356 2.787,357 1.537,358 4.28,359 2.423,360 1.432,361 1.874,363 3.492,364 1.415,365 2.773,366 1.429,367 3.7,368 2.281,369 1.305,370 1.779,372 3.039,373 1.269,374 2.062,375 1.256,376 3.569,377 2.016,378 1.057,379 1.06,381 2.275,382 1.01,383 2.016,384 1.086,385 3.431,386 1.984,387 1,388 1,390 2.268,391 0.983,392 2,393 1.077,394 3.414,395 1.789,396 0.794,397 0.926,399 1.849,400 0.789,401 19.367,402 0.484,403 1.196,404 0.03,405 44.5,406 1.113,407 19.5,408 0.488,409 25,410 0.625,411 48.506,412 1.213,413 47.233,414 0.569,415 40.404,416 1.01,417 7.686,418 0.192,419 11.376,420 0.284,421 0.172,422 0.086,423 0.248,425 0.571,426 1.563,427 0.897,428 1.439,429 0.646,430 1.153,431 0.815,432 1.123,433 0.919,434 0.977,435 0.549,436 0.972,437 0.969,438 1.161,439 1.146,440 1.159,441 0.857,442 1.019,443 1.138,444 1.072,445 1.245,446 1.16,447 1.341,448 1.032,449 1.243,450 0.982,451 1.149,452 1.071,453 1.557,454 0.967,455 1.257,456 0.945,457 1.006,458 0.96,459 1.516,460 0.949,461 0.912,462 1.102,463 1.019,464 1.076,465 0.851,466 1.071,467 1.065,468 1.04,469 1.066,470 1.062,471 1.014,472 0.997,473 10,474 0.268,475 6,476 3.813,477 2.92,478 2.167,479 1.322,480 0.955,481 0.8,482 0.508,483 24329,484 58391,485 1.995,486 51.8,487 9,488 23,491 1,493 4,494 6,495 1.803,496 1.832,497 3.776,498 -0.342,500 132.653,501 1.598,502 3.325,503 4.912,504 5.495,505 5.543,506 5.616,507 3.326,508 4.622,509 5.283,510 4.001,511 3120.95,512 9.348,513 53107.5,516 529.128,517 1.68,518 5.222,519 0.233,520 0.006,521 0.097,522 0.055,523 0.042,524 0.032,525 0.02,526 0.014,527 0.014,528 0.009,529 0.521,530 0.33,531 0.63,532 1.277,533 224.93,534 0.124,535 -0.225,536 0.262,537 -0.118,538 -0.114,540 0.174,541 0.043,542 0.087,543 0.084,544 0.251,545 0.051,546 -0.068,547 -0.026,548 0.014,549 -0.014,550 -0.012,551 0.015,552 0.022,553 -0.006,554 -0.053,555 -0.039,556 -0.016,557 -0.031,558 -0.081,559 0.033,560 -0.013,561 0.003,562 -0.102,563 0.023,564 0.002,565 0.052,566 0.04,567 0.05,568 -0.109,569 0.026,570 0.127,571 -0.061,572 -0.016,573 -0.054,574 0.253,575 -0.068,576 -0.075,577 -0.057,578 -0.011,579 -0.038,580 -0.029,581 -0.007,582 4.988,583 7.169,584 0.55,585 52.208,586 1.001,587 1.131,588 2.382,589 5.673,590 0.642,591 3.784,592 4.143,593 4.407,594 4.663,595 4.913,596 5.024,597 5.159,598 5.215,599 5.347,600 5.38,601 8.47,602 0.594,603 593.89,604 3.784,605 5.352,606 6.209,607 7.111,608 7.993,609 8.904,610 9.799,611 10.716,612 11.619,613 12.54,614 3.6,616 1,617 1,619 1,624 7,627 5,628 12,632 2,634 83,635 16,636 2,637 43,638 86,639 29,640 12,641 5,642 7,644 4,645 5,649 2,652 6,654 8,655 12,656 17,657 1,658 4,659 2,660 4,665 43,666 9,667 1,668 11,669 2,670 3,672 0.75,673 6,680 4,682 1,687 1,692 3,694 2,695 4,698 40,700 2,702 10,703 1,704 2,706 3,707 2,711 7.2,714 4,716 2,717 21.833,718 15.567,719 8.819,720 5.189,721 2.22,722 1.268,723 0.95,724 10.447,725 10.519,726 3.989,727 4.575,728 4.997,729 5.478,730 5.938,731 6.14,732 6.427,733 6.586,734 6.867,735 7.042,736 1,737 69,738 15.616,739 7.276,740 7.817,741 29.131,742 24.893,743 2.317,744 92.667,748 494.386,749 157.769,750 21.048,752 110.626,754 11.615,755 146.154,756 605.012,757 21.048,758 39.417,759 22.424,760 95.959,761 88.626,762 43.017,764 494.386,766 494.386,767 167.202,768 110.626,769 11.615,770 376.675,771 228.337,773 59.604,774 107.598,775 11.615,777 494.386,778 131.674,779 157.769,780 11.615,781 494.386,782 40.404,783 108.787,784 18.011,785 110.626,786 494.386,787 131.674,788 157.769,789 0.587,790 0.342,791 0.179,792 0.1,793 28,794 14,795 0.14,796 12,797 1,798 1.091,799 4.694,800 404.483,801 0.091,802 22,803 202.877,805 2,806 31.112,807 13.431,808 7.34,810 131.674,811 12.039,814 2.189,815 18.011,816 783.829,817 53,818 -7.601,819 55.107,822 83.094,823 93.895,824 0.251,825 0.521,826 0.771,827 0.862,828 0.87,829 0.881,830 5.273,831 2.051,832 6.252,833 6.083,834 4.828,835 5.263,836 1.593,837 7.157,838 4.726,839 6.504,840 1.696,841 7.883,842 5.189,843 4.691,844 5.491,846 8.535,847 4.499,848 7.874,849 1.656,850 9.637,851 4.965,852 6.569,853 7.578,854 1.206,855 11.619,856 6.341,857 9.29,858 1.432,859 11.471,860 4.716,861 7.252,862 8.634,864 13.832,865 6.911,866 10.75,867 1.305,868 13.358,869 3.492,870 8.681,871 10.327,872 0.972,873 16.578,874 8.297,875 12.24,876 1.057,877 15.282,878 3.039,879 9.705,880 11.684,882 19.074,883 9.209,884 13.753,885 1,886 17.233,887 2.275,888 10.998,889 13.269,890 0.789,891 21.743,892 10.444,893 3.626,894 0.794,895 19.204,896 2.268,897 12.162,898 14.738,900 24.337,901 11.505,902 3.375,903 14.542,904 21.19,905 1.849,906 13.42,907 16.293,908 0.634,909 26.991,910 12.692,911 2.948,912 12.407,913 23.188,914 4.821,915 14.641,916 17.807,918 29.624,919 13.82,920 2.591,921 10.237,922 25.196,923 4.555,924 15.895,925 19.356,926 0.504,927 32.279,928 14.997,929 2.515,930 8.15,931 27.211,932 3.858,933 17.14,934 20.89,936 34.929,937 16.155,938 2.289,939 7.143,940 29.231,941 3.602,942 18.399,943 22.439,944 0.395,945 37.589,946 17.333,947 2.203,948 7.025,949 31.256,950 2.709,951 19.656,952 23.983,954 40.248,955 18.507,956 23798,957 37363,958 27.622,959 53.267,960 64.068,961 67.055,962 67.389,963 64.252,964 64.303,965 78.584,966 5.84,967 193.108,968 61.129,969 6.004,970 6.758,971 7.526,972 5.637,973 5.626,974 7.821,975 1.72,976 23.232,977 5.353,978 24.653,979 1.49,980 1.559,981 1.567,982 1.494,983 1.495,984 1.828,985 0.136,986 4.491,987 1.422,988 4.155,989 4.15,990 4.756,991 4.116,992 7.718,993 4.046,994 4.026,995 4.019,996 4.719,997 3.984,998 7.711,999 3.878,1000 3.91,1001 3.929,1002 3.873,1003 3.851,1004 6.999,1005 3.834,1006 3.791,1007 3.836,1008 3.745,1009 3.664,1010 6.999,1011 3.638,1012 3.672,1013 3.725,1014 3.69,1015 3.559,1016 4.903,1017 3.534,1018 3.628,1019 3.615,1020 3.518,1021 3.529,1022 4.738,1023 3.471,1024 3.48,1025 3.501,1026 3.404,1027 3.371,1028 4.573,1029 3.326,1030 3.284,1031 3.363,1032 3.123,1033 3.052,1034 4.402,1035 3.04,1036 0.116,1037 0.111,1038 0.182,1039 0.106,1040 0.084,1041 5.004,1042 0.112,1043 4.758,1044 0.02,1045 7.843,1046 0.338,1047 4.555,1048 0.078,1049 3.626,1050 4.821,1051 0.86,1052 14.542,1053 3.353,1054 2.025,1055 2.022,1056 2.098,1057 2.121,1058 1.472,1059 2.148,1060 1.903,1061 1.897,1062 2.052,1063 2.056,1064 1.41,1065 2.082,1066 1.885,1067 1.867,1068 1.98,1069 1.981,1070 1.294,1071 1.992,1072 1.76,1073 1.711,1074 1.944,1075 1.919,1076 1.171,1077 1.957,1078 1.675,1079 1.626,1080 1.846,1081 1.814,1082 1.135,1083 1.856,1084 1.5,1085 1.501,1086 1.627,1087 1.66,1088 0.909,1089 1.696,1090 1.381,1091 1.388,1092 1.597,1093 1.583,1094 0.825,1095 1.61,1096 1.267,1097 1.172,1098 1.589,1099 1.527,1100 0.809,1101 1.553,1102 4.466,1104 5.814,1106 7.366,1108 9.014,1110 10.717,1111 7.32,1116 5.912,1117 3.56,1118 10.685,1120 0.464,1121 2.992,1123 49.263,1124 132.653,1125 275.936,1126 407.728,1127 456.109,1128 460.109,1129 466.109,1130 136.217,1131 8.299,1132 105.25,1133 122.01,1134 24,1135 13.052,1136 4.087,1137 3.459,1138 73.186,1139 195,1140 268,1141 0.177,1142 308.433,1143 545.94,1144 744.336,1145 53240,1147 28.916,1148 0.723,1149 0.641,1150 29.416,1151 25.638,1152 19.062,1153 0.443,1154 0.399,1155 14.178,1156 16.753,1157 13.479,1158 11.214,1159 20.672,1160 17.17,1161 17.825,1162 0.287,1163 0.241,1164 20.411,1165 14.925,1166 14.358,1167 0.177,1168 0.145,1169 16.772,1170 11.736,1171 11.727,1172 0.112,1173 0.086,1174 14.102,1175 9.067,1176 9.531,1177 0.071,1178 0.053,1179 11.703,1180 7.141,1181 0.28,1182 136.185,1183 0.19,1184 35.828,1185 0.483,1186 210,1187 613.757,1188 308.023,1189 617.162,1190 828.99,1191 568,1192 248,1193 545.937,1194 366.555,1195 621.131,1196 907.32,1197 579,1198 7.569} {0 CHEMBL575797,1 1.632,2 14.462,3 3.841,4 14.756,5 153.037,6 7.408,7 0.279,8 4.449,9 4.551,10 4.211,11 4,12 5.36,13 3.935,14 5.066,15 5.236,16 4.477,17 4.403,18 6.217,19 4.313,20 5.351,21 5.558,22 4.65,23 4.619,24 6.305,25 4.497,26 5.495,27 5.692,28 4.694,29 4.693,30 6.616,31 4.566,32 5.553,33 5.768,34 4.673,35 4.711,36 6.625,37 4.576,38 5.545,39 5.758,40 4.673,41 4.678,42 6.617,43 4.553,44 5.494,45 5.712,46 4.61,47 4.651,48 6.7,49 4.519,50 5.495,51 5.735,52 4.529,53 4.609,54 6.47,55 4.46,56 0.146,57 1.17,58 23.787,59 8.5,60 25.714,61 10.503,62 0.72,63 1.908,64 40.41,65 14.314,66 97.02,67 18.06,68 0.568,69 2.464,70 61.335,71 19.934,72 70.401,73 24.383,74 1.199,75 2.682,76 72.858,77 22.605,78 147.335,79 27.005,80 1.054,81 2.725,82 79.533,83 24.661,84 157.838,85 29.477,86 1.424,87 2.652,88 73.383,89 22.455,90 184.802,91 28.05,92 1.155,93 2.599,94 66.561,95 21.976,96 208.505,97 27.89,98 0.887,99 2.541,100 71.251,101 22.177,102 120.857,103 27.618,104 41,105 63,106 0.25,107 0.513,108 0.736,109 0.839,110 0.847,111 0.858,112 3.693,113 1.174,114 -3.42,115 -3.4,116 -3.25,117 35.9,119 7,120 1,122 2,123 4,124 2,126 7,127 1,128 4,139 10,140 6,141 9,145 3,147 9,151 11,155 2,157 7,159 4,160 20,162 1,166 7,168 3,169 9,175 13,177 3,178 10,180 2,184 12,186 6,187 13,191 1,193 9,197 16,203 4,206 3,207 20,209 1,211 1,213 5,216 3303,217 26.192,218 26.192,219 26.192,220 26.192,221 26.192,222 24.185,223 38.11,224 14.993,225 26.991,226 21.059,227 21.059,228 21.059,229 21.059,230 21.059,231 17.714,232 59.237,233 6.894,234 22.178,235 4.654,236 2.938,237 1.483,238 0.814,239 0.763,240 0.686,241 4.386,244 1,245 1229,246 4.796,247 79.83,250 473.596,252 194.79,253 1.984,254 63.589,256 0.75,257 0.5,258 0.67,259 0.9,260 1,261 0.67,262 0.5,263 0.71,264 85.5,265 564,266 5.004,267 4.758,268 7.843,269 4.555,270 3.626,271 4.821,272 0.86,273 14.542,274 3.353,275 4.792,276 4.513,277 7.293,278 4.305,279 3.375,280 4.555,281 0.86,282 12.407,283 3.118,284 4.271,285 3.267,286 6.592,287 3.906,288 2.948,289 3.858,290 0.4,291 10.237,292 2.813,293 4.011,294 2.916,295 5.918,296 3.676,297 2.688,298 3.602,299 0.4,300 8.15,301 2.659,302 3.691,303 2.796,304 5.542,305 3.553,306 2.591,307 2.709,308 0.4,309 7.479,310 2.491,311 3.488,312 2.613,313 5.523,314 3.425,315 2.454,316 2.692,318 7.136,319 2.376,320 3.466,321 2.567,322 5.331,323 3.252,324 2.286,325 2.487,327 6.921,328 2.201,329 3.326,330 2.438,331 5.16,332 2.981,333 2.051,334 2.443,336 6.082,337 1.896,338 2.948,339 2.221,340 4.836,341 2.631,342 1.687,343 2.091,345 4.989,346 1.606,347 2.863,348 1.93,349 4.72,350 2.6,351 1.655,352 1.983,354 4.716,355 1.535,356 2.779,357 1.537,358 4.28,359 2.422,360 1.432,361 1.874,363 3.492,364 1.414,365 2.773,366 1.429,367 3.7,368 2.281,369 1.305,370 1.77,372 3.039,373 1.269,374 2.016,375 1.114,376 3.569,377 1.984,378 1,379 1,381 2.275,382 0.983,383 2,384 1.081,385 3.44,386 1.831,387 0.871,388 0.929,390 2.033,391 0.832,392 1.879,393 1.077,394 3.414,395 1.771,396 0.786,397 0.867,399 1.842,400 0.774,401 18.867,402 0.484,403 1.12,404 0.029,405 44.5,406 1.141,407 19.5,408 0.5,409 25,410 0.641,411 44.799,412 1.149,413 45.333,414 0.581,415 39.654,416 1.017,417 7.677,418 0.197,419 11.047,420 0.283,421 0.124,422 0.088,423 0.254,425 0.564,426 1.519,427 0.867,428 1.4,429 0.623,430 1.102,431 0.823,432 1.144,433 0.94,434 0.995,435 0.549,436 1,437 0.98,438 1.14,439 1.136,440 1.133,441 0.858,442 0.972,443 1.21,444 1.055,445 1.317,446 1.182,447 1.408,448 1.054,449 1.212,450 1.018,451 1.16,452 1.114,453 1.558,454 1.003,455 1.244,456 0.961,457 1.023,458 0.979,459 1.494,460 0.982,461 0.905,462 1.073,463 0.995,464 1.04,465 0.839,466 1.029,467 1.15,468 0.961,469 1.082,470 1.01,471 1.086,472 0.942,473 9.5,474 0.238,475 6.056,476 3.66,477 2.955,478 2.104,479 1.209,480 0.911,481 0.802,482 0.462,483 24086,484 57998,485 2.067,486 50,487 6,488 23,491 1,493 3,494 6,495 1.797,496 1.918,497 3.714,498 -0.332,500 127.26,501 1.632,502 3.348,503 4.802,504 5.471,505 5.522,506 5.599,507 3.193,508 4.958,509 5.249,510 3.927,511 2910,512 9.283,513 48093.9,516 490.261,517 1.62,518 5.199,519 0.221,520 0.006,521 0.101,522 0.054,523 0.043,524 0.031,525 0.019,526 0.014,527 0.014,528 0.008,529 0.51,530 0.33,531 0.5,532 0.771,533 216.748,534 0.118,535 -0.213,536 0.265,537 -0.111,538 -0.102,539 0.014,540 0.157,541 0.012,542 0.05,543 0.049,544 0.245,545 0.003,546 -0.073,547 -0.019,548 0.03,549 0.005,550 -0.007,551 0.046,552 -0.019,553 0.028,554 -0.11,555 -0.049,556 -0.041,557 -0.061,558 -0.079,559 -0.012,560 -0.029,561 -0.026,562 -0.105,563 -0.003,564 -0.013,565 0.027,566 0.011,567 0.023,568 -0.118,569 -0.011,570 0.13,571 -0.062,572 0.008,573 -0.037,574 0.258,575 -0.042,576 -0.108,577 0.028,578 0.005,579 0.024,580 -0.048,581 0.044,582 4.981,583 7.154,584 0.641,585 47.617,586 1.004,587 1.129,588 2.186,589 4.78,590 0.651,591 3.784,592 4.159,593 4.419,594 4.673,595 4.927,596 5.037,597 5.17,598 5.236,599 5.384,600 5.389,601 8.09,602 0.605,603 577.84,604 3.784,605 5.361,606 6.232,607 7.14,608 8.03,609 8.943,610 9.842,611 10.759,612 11.664,613 12.583,614 3.8,616 1,617 1,619 1,624 7,627 5,628 12,632 2,634 78,635 16,636 2,637 43,638 82,639 28,640 12,641 5,642 7,644 5,645 6,652 8,653 1,654 9,655 12,656 16,657 1,658 4,659 2,660 4,665 39,666 9,667 1,668 11,669 2,670 3,672 0.8,673 6,677 1,680 4,682 1,687 1,692 4,694 2,695 2,698 39,700 2,702 11,703 1,704 2,706 3,707 2,711 7.7,714 4,716 2,717 20.333,718 14.067,719 8.486,720 4.856,721 2.215,722 1.265,723 0.974,724 8.795,725 10.567,726 3.989,727 4.585,728 5.004,729 5.482,730 5.943,731 6.144,732 6.43,733 6.591,734 6.879,735 7.044,736 0.9,737 68,738 15.255,739 7.27,740 7.812,741 28.533,742 25.083,743 2.312,744 90.167,748 447.302,749 142.653,750 21.048,752 110.626,754 11.615,755 131.038,756 557.928,757 21.048,758 21.766,759 24.959,760 95.959,761 88.626,762 43.017,764 447.302,766 447.302,767 152.086,768 110.626,769 11.615,770 341.362,771 216.566,773 44.488,774 107.598,775 11.615,777 447.302,778 131.674,779 142.653,780 11.615,781 447.302,782 42.938,783 91.137,784 18.011,785 110.626,786 447.302,787 131.674,788 142.653,789 0.592,790 0.344,791 0.18,792 0.1,793 31,794 14,795 0.134,796 11,797 1,798 1.08,799 4.737,800 400.955,801 0.08,802 25,803 196.131,805 2,806 28.689,807 11.956,808 6.57,810 131.674,811 12.053,814 2.206,815 18.011,816 721.629,817 53,818 -7.579,819 55.023,822 78.327,823 88.065,824 0.26,825 0.533,826 0.764,827 0.87,828 0.879,829 0.891,830 5.283,831 2.051,832 6.275,833 6.921,834 4.844,835 5.273,836 1.593,837 7.186,838 4.743,839 6.521,840 1.687,841 7.91,842 6.082,843 4.745,844 5.515,846 8.573,847 4.564,848 7.897,849 1.655,850 9.667,851 4.989,852 6.605,853 7.592,854 1.206,855 11.642,856 6.385,857 9.316,858 1.432,859 11.501,860 4.716,861 7.3,862 8.646,864 13.848,865 6.978,866 10.776,867 1.305,868 13.385,869 3.492,870 8.72,871 10.335,872 0.972,873 16.588,874 8.353,875 12.264,876 1,877 15.306,878 3.039,879 9.742,880 11.689,882 19.08,883 9.269,884 13.774,885 0.871,886 17.253,887 2.275,888 11.03,889 13.273,890 0.789,891 21.746,892 10.496,893 3.626,894 0.786,895 19.22,896 2.033,897 12.188,898 14.74,900 24.339,901 11.554,902 3.375,903 14.542,904 21.203,905 1.842,906 13.442,907 16.295,908 0.634,909 26.992,910 12.735,911 2.948,912 12.407,913 23.198,914 4.821,915 14.658,916 17.808,918 29.624,919 13.857,920 2.688,921 10.237,922 25.203,923 4.555,924 15.909,925 19.356,926 0.504,927 32.279,928 15.028,929 2.591,930 8.15,931 27.216,932 3.858,933 17.151,934 20.89,936 34.929,937 16.182,938 2.454,939 7.479,940 29.235,941 3.602,942 18.407,943 22.439,944 0.395,945 37.589,946 17.356,947 2.286,948 7.136,949 31.26,950 2.709,951 19.663,952 23.984,954 40.248,955 18.526,956 22612,957 35445,958 28.315,959 50.745,960 64.493,961 67.538,962 67.493,963 64.652,964 64.722,965 79.005,966 5.84,967 196.999,968 61.545,969 6.004,970 6.758,971 7.526,972 5.638,973 5.626,974 7.821,975 1.72,976 23.232,977 5.353,978 20.295,979 1.5,980 1.571,981 1.57,982 1.504,983 1.505,984 1.837,985 0.136,986 4.581,987 1.431,988 4.155,989 4.152,990 4.756,991 4.117,992 7.718,993 4.046,994 4.029,995 4.03,996 4.719,997 3.985,998 7.711,999 3.882,1000 3.917,1001 3.952,1002 3.873,1003 3.851,1004 6.999,1005 3.837,1006 3.903,1007 3.924,1008 3.802,1009 3.808,1010 6.999,1011 3.783,1012 3.704,1013 3.743,1014 3.738,1015 3.591,1016 4.903,1017 3.566,1018 3.629,1019 3.614,1020 3.603,1021 3.534,1022 4.738,1023 3.474,1024 3.48,1025 3.499,1026 3.405,1027 3.372,1028 4.573,1029 3.326,1030 3.284,1031 3.339,1032 3.123,1033 3.002,1034 4.426,1035 3.001,1036 0.116,1037 0.111,1038 0.182,1039 0.106,1040 0.084,1041 5.004,1042 0.112,1043 4.758,1044 0.02,1045 7.843,1046 0.338,1047 4.555,1048 0.078,1049 3.626,1050 4.821,1051 0.86,1052 14.542,1053 3.353,1054 2.025,1055 2.022,1056 2.098,1057 2.121,1058 1.471,1059 2.148,1060 1.901,1061 1.896,1062 2.03,1063 2.05,1064 1.406,1065 2.078,1066 1.883,1067 1.866,1068 1.944,1069 1.981,1070 1.178,1071 1.991,1072 1.699,1073 1.664,1074 1.847,1075 1.837,1076 1.136,1077 1.879,1078 1.518,1079 1.509,1080 1.702,1081 1.694,1082 1.054,1083 1.719,1084 1.409,1085 1.396,1086 1.61,1087 1.6,1088 0.903,1089 1.634,1090 1.376,1091 1.336,1092 1.589,1093 1.568,1094 0.825,1095 1.602,1096 1.209,1097 1.142,1098 1.546,1099 1.526,1100 0.825,1101 1.548,1102 4.466,1103 1.946,1104 5.826,1105 3.714,1106 7.392,1107 5.416,1108 9.05,1109 7.086,1110 10.757,1111 2.931,1116 7.59,1117 3.59,1118 10.681,1120 0.667,1121 3.004,1123 47.21,1124 127.26,1125 261.114,1126 374.571,1127 426.752,1128 430.752,1129 436.752,1130 113.696,1131 8.352,1132 105.25,1133 122.01,1134 27,1135 13.095,1136 4.087,1137 3.459,1138 61.334,1139 181,1140 243,1141 0.158,1142 291.447,1143 516.28,1144 702.89,1145 57197,1147 27.623,1148 0.708,1149 0.624,1150 28.123,1151 24.345,1152 18.724,1153 0.435,1154 0.391,1155 13.84,1156 16.419,1157 13.263,1158 10.91,1159 20.334,1160 16.832,1161 17.521,1162 0.278,1163 0.232,1164 20.107,1165 14.64,1166 14.356,1167 0.175,1168 0.142,1169 16.769,1170 11.684,1171 11.672,1172 0.11,1173 0.085,1174 14.048,1175 9.028,1176 9.591,1177 0.07,1178 0.052,1179 11.763,1180 7.184,1181 0.248,1182 134.156,1183 0.188,1184 35.075,1185 0.434,1186 212,1187 615.757,1188 310.023,1189 618.229,1190 833.79,1191 570,1192 254,1193 551.937,1194 372.722,1195 626.033,1196 917.9,1197 585,1198 7.208} {0 CHEMBL575972,1 1.737,2 15.513,3 5.835,4 34.051,5 161.064,6 8.333,7 0.395,8 4.381,9 4.475,10 4.262,11 4.033,12 5.305,13 3.941,14 4.992,15 5.144,16 4.575,17 4.465,18 6.187,19 4.347,20 5.321,21 5.526,22 4.641,23 4.637,24 6.288,25 4.48,26 5.431,27 5.635,28 4.597,29 4.647,30 6.513,31 4.5,32 5.454,33 5.675,34 4.584,35 4.643,36 6.503,37 4.493,38 5.405,39 5.621,40 4.602,41 4.653,42 6.484,43 4.482,44 5.382,45 5.61,46 4.54,47 4.613,48 6.289,49 4.433,50 5.346,51 5.587,52 4.565,53 4.51,54 6.573,55 4.337,56 0.141,57 1.092,58 19.781,59 8.092,60 25.567,61 9.377,62 0.574,63 1.876,64 35.2,65 14.346,66 87.702,67 17.055,68 0.525,69 2.492,70 65.183,71 21.655,72 78.824,73 24.5,74 0.841,75 2.627,76 71.627,77 23.315,78 136.812,79 25.492,80 0.951,81 2.585,82 72.614,83 23.408,84 164.18,85 26.572,86 1.054,87 2.513,88 69.778,89 23.667,90 148.375,91 27.241,92 0.663,93 2.494,94 66.334,95 22.889,96 114.015,97 27.166,98 1.062,99 2.289,100 61.963,101 20.81,102 201.354,103 25.059,104 26,105 62,106 0.268,107 0.547,108 0.751,109 0.857,110 0.862,111 0.862,112 3.693,113 1.232,114 -4.69,115 -4.6,116 -4.33,117 38.4,119 6,123 4,124 2,126 10,127 1,128 3,132 1,133 1,139 10,140 6,141 6,145 2,147 14,151 13,155 2,157 11,160 22,162 1,164 1,166 6,169 8,175 19,177 3,178 8,180 2,184 23,187 5,191 1,193 11,196 6,197 9,201 1,203 8,207 16,213 6,216 3220,217 26.073,218 26.073,219 26.073,220 26.073,221 26.073,222 23.392,223 34.04,224 15.211,225 26.883,226 21.206,227 21.206,228 21.206,229 21.206,230 21.206,231 17.089,232 53.102,233 7.181,234 22.602,235 4.453,236 2.644,237 1.321,238 0.63,239 0.603,240 0.603,241 4.393,242 1,244 1,245 1324,246 4.637,249 127.651,250 487.722,252 202.354,253 2.268,254 58.118,256 0.75,257 0.67,258 0.67,259 0.7,260 0.5,261 0.83,262 1,263 0.73,264 83.833,265 605,266 4.978,267 4.735,268 7.801,269 4.531,270 3.6,271 4.785,272 0.657,273 14.344,274 3.338,275 4.792,276 4.512,277 7.293,278 4.305,279 3.374,280 4.555,281 0.4,282 12.404,283 3.118,284 4.231,285 3.247,286 6.489,287 3.843,288 2.881,289 3.826,290 0.4,291 9.858,292 2.757,293 3.927,294 2.895,295 5.726,296 3.535,297 2.603,298 3.48,300 7.461,301 2.438,302 3.84,303 2.851,304 5.438,305 3.372,306 2.428,307 3.396,309 7.233,310 2.301,311 3.513,312 2.634,313 5.278,314 3.35,315 2.416,316 2.565,318 6.777,319 2.225,320 3.444,321 2.514,322 5.15,323 3.226,324 2.281,325 2.527,327 6.254,328 2.108,329 3.071,330 2.227,331 4.898,332 2.72,333 1.768,334 2.232,336 5.149,337 1.653,338 2.926,339 1.982,340 4.819,341 2.631,342 1.705,343 2.071,345 4.975,346 1.568,347 2.861,348 1.643,349 4.494,350 2.487,351 1.507,352 1.982,354 4.197,355 1.455,356 2.818,357 1.467,358 3.727,359 2.38,360 1.4,361 1.836,363 3.07,364 1.341,365 2.621,366 1.45,367 3.585,368 2.235,369 1.284,370 1.649,372 2.789,373 1.209,374 2.5,375 1.173,376 3.539,377 2.109,378 1.12,379 1.5,381 2.508,382 1.104,383 2.237,384 1.077,385 3.466,386 2,387 1,388 1.202,390 2.275,391 1,392 2.118,393 1,394 3.414,395 1.984,396 1,397 1,399 2.275,400 0.983,401 19.748,402 0.506,403 1.107,404 0.028,405 46.75,406 1.199,407 22.5,408 0.577,409 24.25,410 0.622,411 43.68,412 1.12,413 43.252,414 0.592,415 38.07,416 0.976,417 8.002,418 0.205,419 10.735,420 0.275,421 0.104,422 0.084,423 0.218,425 0.445,426 1.341,427 0.757,428 1.169,429 0.608,430 0.968,431 0.594,432 1.146,433 0.85,434 0.964,435 0.504,436 0.998,437 1.002,438 1.143,439 1.139,440 1.142,441 0.825,442 1.015,443 1.465,444 1.035,445 1.156,446 1.087,447 1.466,448 1.034,449 1.422,450 0.887,451 0.879,452 0.875,453 1.599,454 0.912,455 0.895,456 0.925,457 0.904,458 0.974,459 1.084,460 1.019,461 0.854,462 1.115,463 0.89,464 1.085,465 1.013,466 1.072,467 0.847,468 0.901,469 0.704,470 0.746,471 0.831,472 0.888,473 9,474 0.266,475 5.778,476 3.222,477 2.534,478 1.684,479 0.777,480 0.793,481 0.72,482 0.513,483 26420,484 75037,485 2.082,486 46.6,487 2,488 20,489 1,491 1,493 6,494 4,495 1.793,496 1.95,497 3.815,498 -0.332,500 126.768,501 1.737,502 3.546,503 4.869,504 5.56,505 5.587,506 5.587,507 3.352,508 4.753,509 5.252,510 4.07,511 3015.52,512 9.258,513 52096.5,516 451.857,517 1.537,518 5.208,519 0.209,520 0.006,521 0.093,522 0.05,523 0.041,524 0.028,525 0.013,526 0.015,527 0.014,528 0.01,529 0.48,530 0.17,531 0.75,532 0.515,533 220.051,534 0.146,535 -0.144,536 0.19,537 -0.062,538 -0.11,539 0.034,540 0.259,541 -0.014,542 0.02,543 0.01,544 0.254,545 -0.048,546 -0.088,547 -0.069,548 -0.081,549 -0.077,550 0.004,551 -0.027,552 -0.211,553 -0.009,554 -0.163,555 -0.077,556 -0.112,557 -0.081,558 -0.188,559 0.069,560 -0.015,561 0.067,562 -0.173,563 0.042,564 0.112,565 0.042,566 -0.002,567 -0.009,568 0.009,569 -0.038,570 -0.001,571 -0.148,572 0.01,573 -0.102,574 -0.114,575 -0.073,576 0.238,577 0.031,578 0.167,579 0.13,580 0.279,581 0.07,582 4.764,583 6.789,584 0.692,585 50.848,586 1.004,587 1.119,588 3.458,589 11.954,590 0.696,591 3.784,592 4.143,593 4.407,594 4.644,595 4.852,596 4.942,597 5.03,598 5.142,599 5.252,600 5.257,601 8.889,602 0.64,603 608.31,604 3.784,605 5.352,606 6.209,607 7.102,608 7.979,609 8.879,610 9.765,611 10.67,612 11.561,613 12.47,614 4.1,616 1,617 1,619 1,624 11,626 1,627 5,628 17,633 1,634 73,635 21,636 2,637 43,638 77,639 28,640 16,641 4,642 8,644 5,645 6,646 1,652 6,654 8,655 16,656 12,658 4,659 2,660 4,665 34,666 7,667 1,668 11,669 4,670 3,672 0.8,673 4,679 1,680 4,682 1,687 1,692 4,694 3,696 1,698 39,700 2,702 10,703 1,706 2,707 2,709 1,710 1,711 5.5,714 4,717 20,718 12.543,719 8.375,720 4.551,721 2.549,722 1.305,723 0.999,724 9.241,725 10.917,726 4.034,727 4.637,728 5.065,729 5.521,730 5.888,731 6.054,732 6.263,733 6.494,734 6.753,735 6.915,736 1,737 64,738 15.133,739 7.139,740 7.815,741 28.427,742 24.934,743 2.315,744 90.278,748 388.446,749 180.08,750 21.048,751 39.149,752 88.626,754 42.893,755 137.188,756 516.221,757 21.048,759 22.424,760 132.037,761 88.626,762 14.031,763 13.13,764 407.953,765 39.149,766 388.446,767 158.235,768 88.626,769 82.041,770 270.735,771 206.337,773 41.953,774 116.282,775 50.764,776 31.278,777 388.446,778 109.674,779 219.229,780 11.615,781 388.446,782 66.054,783 105.449,784 18.011,785 127.775,786 388.446,787 109.674,788 219.229,789 0.592,790 0.344,791 0.177,792 0.094,793 30,794 13,795 0.13,796 10,797 1,798 1.074,799 4.866,800 388.116,801 0.074,802 27,803 194.131,804 1,805 2,806 28.877,807 12.48,808 6.817,810 109.674,811 19.949,813 1.719,814 3.578,815 18.011,816 717.349,817 55.5,818 -7.258,819 53.922,822 73.305,823 81.68,824 0.281,825 0.573,826 0.787,827 0.898,828 0.903,829 0.903,830 5.305,831 1.768,832 6.24,833 6.254,834 4.828,835 5.325,836 0.918,837 7.127,838 4.706,839 6.534,840 1.705,841 7.857,842 5.149,843 4.635,844 5.466,846 8.48,847 4.393,848 7.896,849 1.507,850 9.601,851 4.975,852 6.553,853 7.629,854 0.389,855 11.555,856 6.296,857 9.304,858 1.4,859 11.427,860 4.197,861 7.209,862 8.624,864 13.766,865 6.827,866 10.757,867 1.284,868 13.309,869 3.07,870 8.65,871 10.342,872 0.164,873 16.498,874 8.241,875 12.239,876 1.12,877 15.229,878 2.789,879 9.659,880 11.664,882 18.989,883 9.137,884 13.745,885 1,886 17.178,887 2.508,888 10.954,889 13.253,890 0.07,891 21.645,892 10.384,893 3.6,894 1,895 19.147,896 2.275,897 12.108,898 14.703,900 24.231,901 11.439,902 3.374,903 14.344,904 21.131,905 2.275,906 13.364,907 16.254,908 0.03,909 26.871,910 12.631,911 2.881,912 12.404,913 23.127,914 4.785,915 14.577,916 17.756,918 29.492,919 13.756,920 2.603,921 9.858,922 25.132,923 4.555,924 15.827,925 19.299,926 0.013,927 32.133,928 14.934,929 2.428,930 7.461,931 27.145,932 3.826,933 17.065,934 20.825,936 34.77,937 16.09,938 2.416,939 7.233,940 29.162,941 3.48,942 18.318,943 22.368,944 0.006,945 37.415,946 17.267,947 2.281,948 6.777,949 31.184,950 3.396,951 19.569,952 23.905,954 40.06,955 18.439,956 24644,957 41804,958 28.602,959 50.818,960 64.656,961 66.988,962 65.737,963 64.972,964 64.734,965 82.3,966 2.915,967 192.563,968 60.84,969 5.978,970 6.735,971 7.485,972 5.614,973 5.6,974 7.785,975 1.315,976 22.83,977 5.338,978 18.701,979 1.504,980 1.558,981 1.529,982 1.511,983 1.505,984 1.914,985 0.068,986 4.478,987 1.415,988 4.146,989 4.144,990 4.752,991 4.115,992 7.718,993 4.042,994 4.036,995 4.031,996 4.723,997 3.995,998 7.711,999 3.888,1000 3.905,1001 3.924,1002 4.216,1003 3.909,1004 6.999,1005 3.842,1006 3.874,1007 3.883,1008 3.932,1009 3.858,1010 6.999,1011 3.813,1012 3.712,1013 3.754,1014 3.861,1015 3.607,1016 4.929,1017 3.581,1018 3.623,1019 3.632,1020 3.645,1021 3.555,1022 4.742,1023 3.493,1024 3.513,1025 3.501,1026 3.463,1027 3.425,1028 4.681,1029 3.364,1030 3.285,1031 3.362,1032 3.158,1033 3.132,1034 4.333,1035 3.105,1036 0.116,1037 0.11,1038 0.181,1039 0.105,1040 0.084,1041 4.978,1042 0.111,1043 4.735,1044 0.015,1045 7.801,1046 0.334,1047 4.531,1048 0.078,1049 3.6,1050 4.785,1051 0.657,1052 14.344,1053 3.338,1054 2.026,1055 2.021,1056 2.102,1057 2.118,1058 1.472,1059 2.145,1060 1.906,1061 1.896,1062 2.03,1063 2.055,1064 1.415,1065 2.087,1066 1.891,1067 1.874,1068 1.947,1069 1.957,1070 1.234,1071 1.986,1072 1.725,1073 1.684,1074 1.899,1075 1.864,1076 1.134,1077 1.904,1078 1.583,1079 1.555,1080 1.729,1081 1.725,1082 0.98,1083 1.754,1084 1.515,1085 1.491,1086 1.683,1087 1.641,1088 0.937,1089 1.678,1090 1.396,1091 1.398,1092 1.519,1093 1.503,1094 0.825,1095 1.552,1096 1.363,1097 1.377,1098 1.513,1099 1.5,1100 0.765,1101 1.546,1102 4.466,1104 5.814,1105 2.398,1106 7.358,1107 4.443,1108 8.993,1109 6.26,1110 10.68,1112 6.005,1116 5.71,1117 3.545,1120 -0.004,1121 3.112,1123 46.741,1124 126.768,1125 258.867,1126 355.419,1127 405.857,1128 407.857,1129 407.857,1130 109.302,1131 8.368,1132 86.79,1133 131.79,1134 29,1135 12.989,1136 4.459,1137 3.755,1138 61.662,1139 206,1140 235,1141 0.141,1142 297.063,1143 516.24,1144 716.595,1145 62657,1146 1.4,1147 27.46,1148 0.704,1149 0.639,1150 28.813,1151 24.912,1152 18.737,1153 0.436,1154 0.411,1155 13.602,1156 15.913,1157 12.969,1158 10.622,1159 21.09,1160 17.661,1161 17.676,1162 0.285,1163 0.251,1164 21.299,1165 15.54,1166 14.578,1167 0.18,1168 0.155,1169 17.935,1170 12.576,1171 11.811,1172 0.115,1173 0.093,1174 14.761,1175 9.593,1176 9.142,1177 0.072,1178 0.057,1179 11.614,1180 7.286,1181 0.227,1182 139.722,1183 0.187,1184 35.577,1185 0.374,1186 210,1187 587.35,1188 340.067,1189 657.671,1190 877.39,1191 604,1192 248,1193 547.109,1194 385.588,1195 646.601,1196 944.82,1197 608,1198 5.404} {0 CHEMBL575986,1 1.759,2 14.658,3 5.255,4 27.618,5 156.42,6 8.49,7 0.405,8 4.344,9 4.436,10 4.246,11 4.001,12 5.279,13 3.911,14 4.953,15 5.1,16 4.561,17 4.433,18 6.168,19 4.319,20 5.28,21 5.479,22 4.627,23 4.606,24 6.265,25 4.453,26 5.394,27 5.592,28 4.602,29 4.619,30 6.49,31 4.475,32 5.419,33 5.633,34 4.642,35 4.627,36 6.505,37 4.474,38 5.375,39 5.578,40 4.68,41 4.62,42 6.48,43 4.474,44 5.349,45 5.561,46 4.558,47 4.589,48 6.589,49 4.432,50 5.311,51 5.55,52 4.531,53 4.527,54 6.307,55 4.345,56 0.144,57 1.052,58 18.577,59 7.738,60 26.13,61 8.809,62 0.582,63 1.81,64 33.112,65 13.695,66 87.22,67 16.047,68 0.543,69 2.409,70 62.546,71 20.842,72 79.614,73 23.155,74 0.873,75 2.554,76 68.805,77 22.39,78 140.46,79 24.088,80 1.036,81 2.529,82 74.224,83 23.727,84 162.766,85 25.718,86 1.082,87 2.447,88 67.095,89 22.302,90 168.033,91 25.031,92 1.029,93 2.416,94 58.499,95 21.111,96 197.429,97 25.124,98 0.563,99 2.291,100 65.704,101 21.957,102 94.703,103 25.252,104 26,105 61,106 0.273,107 0.558,108 0.759,109 0.855,110 0.859,111 0.859,112 3.668,113 1.226,114 -4.49,115 -4.42,116 -4.16,117 38.6,119 5,123 4,124 2,126 10,127 1,128 3,132 1,133 1,139 9,140 6,141 6,145 2,147 14,151 12,155 2,157 10,160 19,162 1,164 1,166 5,168 3,169 9,175 17,178 8,180 2,184 17,186 6,187 10,191 1,193 10,197 13,203 8,207 17,209 1,211 1,213 7,216 3014,217 25.365,218 25.365,219 25.365,220 25.365,221 25.365,222 22.685,223 34.04,224 14.733,225 26.176,226 20.706,227 20.706,228 20.706,229 20.706,230 20.706,231 16.589,232 54.023,233 6.967,234 22.095,235 4.37,236 2.539,237 1.246,238 0.629,239 0.6,240 0.6,241 4.368,242 1,244 1,245 1220,246 4.528,249 121.79,250 464.047,252 192.855,253 2.168,254 58.653,256 0.75,257 0.83,258 0.67,259 0.7,260 0.5,261 0.83,262 1,263 0.75,264 81.833,265 557,266 4.978,267 4.735,268 7.801,269 4.532,270 3.601,271 4.785,272 0.657,273 14.344,274 3.339,275 4.792,276 4.513,277 7.293,278 4.305,279 3.375,280 4.555,281 0.4,282 12.407,283 3.118,284 4.231,285 3.244,286 6.489,287 3.841,288 2.88,289 3.826,290 0.4,291 9.858,292 2.756,293 3.927,294 2.895,295 5.726,296 3.535,297 2.603,298 3.48,300 7.462,301 2.439,302 3.84,303 2.851,304 5.438,305 3.371,306 2.43,307 3.396,309 7.231,310 2.288,311 3.515,312 2.636,313 5.278,314 3.346,315 2.413,316 2.561,318 6.776,319 2.223,320 3.43,321 2.501,322 5.152,323 3.209,324 2.263,325 2.524,327 6.254,328 2.096,329 3.066,330 2.221,331 4.912,332 2.715,333 1.762,334 2.226,336 5.179,337 1.652,338 2.926,339 1.962,340 4.79,341 2.605,342 1.681,343 2.07,345 4.905,346 1.541,347 2.857,348 1.638,349 4.494,350 2.473,351 1.496,352 1.974,354 4.197,355 1.438,356 2.809,357 1.459,358 3.706,359 2.377,360 1.394,361 1.828,363 3.046,364 1.341,365 2.619,366 1.443,367 3.569,368 2.225,369 1.278,370 1.644,372 2.783,373 1.198,374 2.5,375 1.077,376 3.531,377 2,378 1,379 1.5,381 2.275,382 1,383 2.118,384 1,385 3.414,386 1.984,387 1,388 1,390 2.275,391 0.983,392 2.013,393 0.94,394 3.414,395 1.793,396 0.799,397 0.927,399 1.853,400 0.793,401 19.248,402 0.507,403 1.107,404 0.029,405 46.25,406 1.217,407 22.5,408 0.592,409 23.75,410 0.625,411 41.709,412 1.098,413 41.952,414 0.599,415 38.07,416 1.002,417 8.002,418 0.211,419 10.235,420 0.269,421 0.106,422 0.087,423 0.223,425 0.444,426 1.337,427 0.751,428 1.164,429 0.609,430 0.954,431 0.596,432 1.136,433 0.847,434 0.953,435 0.506,436 0.984,437 1.013,438 1.15,439 1.153,440 1.152,441 0.832,442 1.022,443 1.47,444 1.04,445 1.15,446 1.088,447 1.482,448 1.038,449 1.349,450 0.873,451 0.873,452 0.882,453 1.572,454 0.906,455 1.037,456 0.996,457 0.908,458 1.03,459 1.291,460 0.991,461 0.778,462 1.045,463 0.847,464 0.968,465 0.794,466 1.036,467 0.924,468 1.016,469 0.885,470 0.943,471 0.856,472 0.948,473 9,474 0.225,475 5.778,476 3.097,477 2.614,478 1.739,479 0.983,480 0.873,481 0.741,482 0.378,483 23777,484 68664,485 2.084,486 45.7,487 2,488 20,489 1,491 1,493 2,494 6,495 1.788,496 1.949,497 3.744,498 -0.322,500 123.158,501 1.759,502 3.591,503 4.883,504 5.501,505 5.529,506 5.529,507 3.264,508 4.702,509 5.213,510 3.981,511 2798.97,512 9.191,513 46506.4,516 429.05,517 1.557,518 5.169,519 0.214,520 0.006,521 0.095,522 0.049,523 0.043,524 0.029,525 0.016,526 0.015,527 0.014,528 0.008,529 0.489,530 0.17,531 0.75,532 0.523,533 211.318,534 0.144,535 -0.148,536 0.189,537 -0.066,538 -0.113,539 0.033,540 0.255,541 -0.006,542 0.017,543 0.015,544 0.251,545 -0.044,546 -0.1,547 -0.074,548 -0.096,549 -0.086,550 -0.001,551 -0.037,552 -0.218,553 -0.012,554 -0.16,555 -0.077,556 -0.129,557 -0.088,558 -0.113,559 0.092,560 0.025,561 0.089,562 -0.147,563 0.054,564 0.07,565 -0.02,566 0.031,567 -0.04,568 -0.067,569 -0.016,570 0.204,571 -0.066,572 -0.005,573 -0.04,574 0.245,575 -0.07,576 -0.017,577 -0.061,578 0.084,579 0.029,580 0.031,581 0.051,582 4.824,583 6.797,584 0.711,585 48.294,586 1.006,587 1.118,588 3.262,589 10.641,590 0.701,591 3.761,592 4.127,593 4.394,594 4.635,595 4.86,596 4.956,597 5.075,598 5.176,599 5.298,600 5.298,601 8.394,602 0.646,603 594.28,604 3.761,605 5.333,606 6.192,607 7.089,608 7.969,609 8.872,610 9.762,611 10.669,612 11.565,613 12.476,614 4.3,616 1,617 1,619 1,624 11,626 1,627 5,628 17,633 1,634 70,635 21,636 2,637 42,638 74,639 27,640 16,641 4,642 8,644 5,645 6,646 1,652 6,654 7,655 16,656 11,658 4,659 2,660 4,665 32,666 7,667 1,668 11,669 4,670 3,672 0.8,673 4,679 1,680 4,682 1,687 1,692 4,694 3,696 1,698 38,700 2,702 9,703 1,706 2,707 2,709 1,710 1,711 5.7,714 4,717 19.5,718 12.043,719 8.125,720 4.301,721 2.564,722 1.307,723 1.003,724 8.704,725 10.904,726 4.016,727 4.627,728 5.059,729 5.517,730 5.896,731 6.063,732 6.309,733 6.522,734 6.798,735 6.96,736 0.9,737 63,738 14.792,739 7.05,740 7.836,741 27.611,742 24.267,743 2.336,744 88.778,748 364.904,749 177.546,750 21.048,751 39.149,752 88.626,754 42.893,755 134.653,756 492.679,757 21.048,759 19.889,760 132.037,761 88.626,762 14.031,763 13.13,764 384.411,765 39.149,766 364.904,767 155.701,768 88.626,769 82.041,770 270.735,771 182.795,773 39.419,774 116.282,775 50.764,776 31.278,777 364.904,778 109.674,779 216.694,780 11.615,781 364.904,782 63.519,783 105.449,784 18.011,785 127.775,786 364.904,787 109.674,788 216.694,789 0.594,790 0.345,791 0.177,792 0.095,793 30,794 13,795 0.122,796 9,797 1,798 1.074,799 4.741,800 380.533,801 0.074,802 27,803 187.421,804 1,805 2,806 27.913,807 11.85,808 6.416,810 109.674,811 19.749,813 1.712,814 3.432,815 18.011,816 691.272,817 54.5,818 -7.42,819 54.222,822 70.422,823 78.265,824 0.287,825 0.586,826 0.797,827 0.897,828 0.902,829 0.902,830 5.29,831 1.762,832 6.229,833 6.254,834 4.812,835 5.316,836 0.918,837 7.12,838 4.688,839 6.524,840 1.681,841 7.85,842 5.179,843 4.635,844 5.466,846 8.48,847 4.393,848 7.889,849 1.496,850 9.596,851 4.905,852 6.544,853 7.626,854 0.389,855 11.555,856 6.285,857 9.3,858 1.394,859 11.424,860 4.197,861 7.209,862 8.624,864 13.766,865 6.827,866 10.754,867 1.278,868 13.307,869 3.046,870 8.647,871 10.342,872 0.164,873 16.498,874 8.235,875 12.237,876 1,877 15.228,878 2.783,879 9.659,880 11.664,882 18.99,883 9.137,884 13.743,885 1,886 17.177,887 2.275,888 10.953,889 13.253,890 0.07,891 21.645,892 10.381,893 3.601,894 0.799,895 19.147,896 2.275,897 12.109,898 14.703,900 24.231,901 11.439,902 3.375,903 14.344,904 21.131,905 1.853,906 13.364,907 16.254,908 0.03,909 26.872,910 12.63,911 2.88,912 12.407,913 23.127,914 4.785,915 14.578,916 17.756,918 29.493,919 13.756,920 2.603,921 9.858,922 25.133,923 4.555,924 15.828,925 19.299,926 0.013,927 32.134,928 14.934,929 2.43,930 7.462,931 27.145,932 3.826,933 17.067,934 20.825,936 34.771,937 16.091,938 2.413,939 7.231,940 29.163,941 3.48,942 18.32,943 22.368,944 0.006,945 37.416,946 17.268,947 2.263,948 6.776,949 31.185,950 3.396,951 19.572,952 23.905,954 40.061,955 18.44,956 22192,957 37979,958 27.909,959 49.057,960 63.572,961 65.558,962 64.453,963 63.759,964 63.55,965 81.126,966 2.915,967 190.274,968 59.652,969 5.978,970 6.735,971 7.485,972 5.617,973 5.601,974 7.785,975 1.315,976 22.831,977 5.339,978 18.203,979 1.514,980 1.561,981 1.535,982 1.518,983 1.513,984 1.932,985 0.069,986 4.53,987 1.42,988 4.151,989 4.147,990 4.756,991 4.119,992 7.718,993 4.045,994 4.026,995 4.021,996 4.719,997 3.988,998 7.711,999 3.884,1000 3.904,1001 3.924,1002 4.216,1003 3.909,1004 6.999,1005 3.839,1006 3.873,1007 3.881,1008 3.932,1009 3.854,1010 6.999,1011 3.811,1012 3.705,1013 3.739,1014 3.858,1015 3.603,1016 4.929,1017 3.573,1018 3.609,1019 3.602,1020 3.645,1021 3.547,1022 4.741,1023 3.474,1024 3.472,1025 3.482,1026 3.408,1027 3.374,1028 4.681,1029 3.325,1030 3.214,1031 3.306,1032 3.156,1033 3.016,1034 4.333,1035 3.006,1036 0.119,1037 0.113,1038 0.186,1039 0.108,1040 0.086,1041 4.978,1042 0.114,1043 4.735,1044 0.016,1045 7.801,1046 0.342,1047 4.532,1048 0.079,1049 3.601,1050 4.785,1051 0.657,1052 14.344,1053 3.339,1054 2.027,1055 2.023,1056 2.098,1057 2.12,1058 1.471,1059 2.148,1060 1.904,1061 1.896,1062 2.029,1063 2.049,1064 1.405,1065 2.078,1066 1.885,1067 1.866,1068 1.947,1069 1.956,1070 1.175,1071 1.985,1072 1.705,1073 1.673,1074 1.847,1075 1.838,1076 1.132,1077 1.88,1078 1.564,1079 1.532,1080 1.728,1081 1.704,1082 0.963,1083 1.729,1084 1.481,1085 1.475,1086 1.613,1087 1.61,1088 0.897,1089 1.653,1090 1.392,1091 1.385,1092 1.516,1093 1.501,1094 0.825,1095 1.551,1096 1.36,1097 1.369,1098 1.513,1099 1.485,1100 0.685,1101 1.538,1102 4.443,1104 5.796,1105 2.398,1106 7.345,1107 4.443,1108 8.984,1109 6.26,1110 10.674,1112 5.998,1116 4.7,1117 3.538,1120 -0.163,1121 3.01,1123 45.214,1124 123.158,1125 251.338,1126 341.831,1127 385.05,1128 387.05,1129 387.05,1130 105.909,1131 8.34,1132 86.79,1133 131.79,1134 29,1135 12.994,1136 4.459,1137 3.755,1138 59.159,1139 187,1140 222,1141 0.149,1142 287.471,1143 498.94,1144 693.189,1145 58589,1146 1.4,1147 26.753,1148 0.704,1149 0.637,1150 28.106,1151 24.205,1152 18.237,1153 0.434,1154 0.409,1155 13.102,1156 15.413,1157 12.479,1158 10.206,1159 20.59,1160 17.161,1161 17.323,1162 0.284,1163 0.249,1164 20.945,1165 15.186,1166 14.342,1167 0.179,1168 0.154,1169 17.682,1170 12.292,1171 11.549,1172 0.113,1173 0.092,1174 14.498,1175 9.416,1176 9.133,1177 0.071,1178 0.057,1179 11.715,1180 7.337,1181 0.237,1182 136.722,1183 0.189,1184 34.628,1185 0.401,1186 206,1187 583.35,1188 336.067,1189 653.51,1190 871.63,1191 600,1192 244,1193 543.109,1194 381.588,1195 642.441,1196 939.1,1197 604,1198 6.09} {0 CHEMBL575987,1 1.633,2 14.342,3 3.894,4 15.161,5 150.367,6 7.348,7 0.293,8 4.425,9 4.529,10 4.181,11 3.963,12 5.354,13 3.896,14 5.047,15 5.221,16 4.461,17 4.376,18 6.211,19 4.287,20 5.337,21 5.545,22 4.637,23 4.604,24 6.299,25 4.482,26 5.483,27 5.678,28 4.684,29 4.68,30 6.611,31 4.553,32 5.545,33 5.762,34 4.654,35 4.693,36 6.623,37 4.555,38 5.533,39 5.751,40 4.652,41 4.649,42 6.613,43 4.523,44 5.47,45 5.689,46 4.595,47 4.625,48 6.691,49 4.495,50 5.476,51 5.712,52 4.5,53 4.591,54 6.465,55 4.444,56 0.146,57 1.143,58 23.764,59 8.291,60 26.125,61 10.334,62 0.727,63 1.861,64 40.255,65 13.963,66 96.987,67 17.733,68 0.578,69 2.415,70 60.946,71 19.574,72 71.821,73 24.064,74 1.187,75 2.63,76 72.261,77 22.293,78 147.96,79 26.78,80 1.055,81 2.671,82 79.229,83 24.246,84 159.606,85 29.184,86 1.436,87 2.577,88 73.197,89 21.888,90 187.681,91 27.59,92 1.164,93 2.512,94 65.497,95 21.283,96 208.904,97 27.096,98 0.868,99 2.471,100 70.085,101 21.623,102 119.181,103 27.055,104 61,105 59,106 0.252,107 0.515,108 0.748,109 0.845,110 0.853,111 0.865,112 3.668,113 1.194,114 -3.22,115 -3.21,116 -3.08,117 35.1,118 1,119 6,122 2,123 4,124 2,126 7,127 1,128 4,139 8,140 6,141 9,145 3,147 9,151 11,155 1,157 7,159 4,160 20,162 1,166 7,168 3,169 9,175 11,177 3,178 10,180 2,184 12,186 6,187 12,191 1,193 9,197 16,203 4,206 3,207 18,209 1,211 1,213 5,216 3092,217 25.46,218 25.46,219 25.46,220 25.46,221 25.46,222 23.453,223 38.11,224 14.848,225 26.268,226 20.041,227 20.041,228 20.041,229 20.041,230 20.041,231 16.696,232 59.237,233 6.766,234 21.176,235 4.633,236 2.925,237 1.411,238 0.783,239 0.731,240 0.653,241 4.357,244 1,245 1154,246 4.848,250 458.666,252 187.957,253 1.904,254 63.204,256 0.75,257 0.5,258 0.67,259 0.9,260 1,261 0.67,262 0.5,263 0.71,264 83.5,265 545,266 5.004,267 4.758,268 7.843,269 4.555,270 3.626,271 4.821,272 0.86,273 14.542,274 3.353,275 4.792,276 4.513,277 7.293,278 4.305,279 3.375,280 4.555,281 0.86,282 12.407,283 3.118,284 4.271,285 3.267,286 6.592,287 3.906,288 2.948,289 3.858,290 0.4,291 10.237,292 2.813,293 4.011,294 2.916,295 5.918,296 3.553,297 2.591,298 3.602,299 0.4,300 8.15,301 2.491,302 3.535,303 2.739,304 5.541,305 3.47,306 2.507,307 2.709,308 0.4,309 7.143,310 2.409,311 3.475,312 2.569,313 5.37,314 3.253,315 2.287,316 2.54,318 7.021,319 2.202,320 3.327,321 2.443,322 5.16,323 2.981,324 2.051,325 2.446,327 6.083,328 1.896,329 2.948,330 2.267,331 4.839,332 2.654,333 1.731,334 2.091,336 5.002,337 1.607,338 2.867,339 1.931,340 4.721,341 2.63,342 1.657,343 1.984,345 4.718,346 1.591,347 2.814,348 1.542,349 4.28,350 2.427,351 1.437,352 1.874,354 3.492,355 1.421,356 2.773,357 1.511,358 3.7,359 2.335,360 1.366,361 1.812,363 3.04,364 1.318,365 2.384,366 1.428,367 3.57,368 2.281,369 1.305,370 1.38,372 2.616,373 1.269,374 2.016,375 1.086,376 3.487,377 1.984,378 1,379 1,381 2.275,382 0.983,383 2,384 1.077,385 3.414,386 1.792,387 0.797,388 0.927,390 1.851,391 0.792,392 1.852,393 0.94,394 3.337,395 1.642,396 0.677,397 0.765,399 1.698,400 0.648,401 18.367,402 0.483,403 1.052,404 0.028,405 43.5,406 1.145,407 19.5,408 0.513,409 24,410 0.632,411 43.65,412 1.149,413 44.633,414 0.58,415 39.475,416 1.039,417 7.686,418 0.202,419 10.52,420 0.277,421 0.154,422 0.091,423 0.234,425 0.571,426 1.566,427 0.881,428 1.438,429 0.639,430 1.134,431 0.824,432 1.124,433 0.921,434 0.97,435 0.556,436 0.965,437 0.985,438 1.12,439 1.135,440 1.124,441 0.862,442 0.962,443 1.2,444 1.074,445 1.317,446 1.198,447 1.406,448 1.067,449 1.206,450 1.032,451 1.16,452 1.125,453 1.552,454 1.015,455 1.241,456 0.948,457 1.009,458 0.965,459 1.496,460 0.962,461 0.917,462 1.045,463 0.99,464 1.022,465 0.852,466 1.007,467 1.153,468 0.999,469 1.112,470 1.055,471 1.09,472 0.975,473 9,474 0.252,475 5.778,476 3.688,477 2.92,478 2.056,479 1.241,480 0.924,481 0.76,482 0.408,483 20507,484 51941,485 2.01,486 50.6,487 5,488 23,491 1,493 4,494 6,495 1.792,496 1.854,497 3.689,498 -0.322,500 125.765,501 1.633,502 3.341,503 4.856,504 5.484,505 5.536,506 5.614,507 3.173,508 4.88,509 5.211,510 3.871,511 2721.59,512 9.213,513 43827.8,516 482.543,517 1.653,518 5.153,519 0.22,520 0.006,521 0.098,522 0.055,523 0.043,524 0.031,525 0.02,526 0.014,527 0.013,528 0.008,529 0.508,530 0.33,531 0.63,532 1.153,533 208.931,534 0.119,535 -0.239,536 0.267,537 -0.126,538 -0.112,539 -0.001,540 0.162,541 0.038,542 0.078,543 0.082,544 0.243,545 0.044,546 -0.078,547 0.011,548 0.034,549 0.023,550 -0.01,551 0.063,552 -0.017,553 0.017,554 -0.109,555 -0.054,556 -0.044,557 -0.066,558 -0.079,559 -0.022,560 -0.031,561 -0.034,562 -0.109,563 -0.012,564 -0.009,565 0.036,566 0.028,567 0.036,568 -0.122,569 0.008,570 0.128,571 -0.028,572 0.018,573 -0.014,574 0.255,575 -0.017,576 -0.113,577 -0.001,578 -0.027,579 -0.012,580 -0.048,581 0.015,582 4.982,583 7.127,584 0.579,585 44.46,586 1.004,587 1.131,588 1.988,589 3.953,590 0.646,591 3.738,592 4.094,593 4.382,594 4.644,595 4.898,596 4.997,597 5.136,598 5.193,599 5.308,600 5.303,601 7.803,602 0.6,603 565.83,604 3.738,605 5.303,606 6.168,607 7.072,608 7.962,609 8.876,610 9.776,611 10.695,612 11.602,613 12.524,614 3.9,616 1,617 1,619 1,624 7,627 5,628 12,632 2,634 77,635 16,636 2,637 41,638 80,639 27,640 12,641 5,642 7,644 4,645 5,649 1,652 6,654 8,655 12,656 15,658 4,659 2,660 4,665 39,666 9,667 1,668 11,669 2,670 3,672 0.75,673 6,680 4,682 1,687 1,692 3,694 2,695 3,698 38,700 2,702 10,703 1,704 2,706 2,707 2,711 7.8,714 4,716 2,717 20.5,718 14.233,719 8.486,720 4.856,721 2.234,722 1.273,723 0.958,724 9.64,725 10.416,726 3.951,727 4.543,728 4.984,729 5.469,730 5.932,731 6.131,732 6.421,733 6.58,734 6.858,735 7.021,736 0.9,737 67,738 14.855,739 6.967,740 7.851,741 27.558,742 23.539,743 2.351,744 89.333,748 447.302,749 148.944,750 21.048,752 110.626,754 11.615,755 137.329,756 557.928,757 21.048,758 30.591,759 22.424,760 95.959,761 88.626,762 43.017,764 447.302,766 447.302,767 158.377,768 110.626,769 11.615,770 329.591,771 228.337,773 50.779,774 107.598,775 11.615,777 447.302,778 131.674,779 148.944,780 11.615,781 447.302,782 40.404,783 99.962,784 18.011,785 110.626,786 447.302,787 131.674,788 148.944,789 0.582,790 0.35,791 0.187,792 0.106,793 27,794 13,795 0.138,796 11,797 1,798 1.091,799 4.518,800 382.151,801 0.091,802 22,803 191.421,805 2,806 29.159,807 12.563,808 6.503,810 131.674,811 12.022,814 2.188,815 18.011,816 727.919,817 51,818 -7.582,819 54.844,822 77.327,823 87.065,824 0.261,825 0.533,826 0.775,827 0.875,828 0.883,829 0.896,830 5.231,831 1.731,832 6.209,833 6.083,834 4.779,835 5.231,836 1.593,837 7.125,838 4.671,839 6.464,840 1.657,841 7.846,842 5.002,843 4.635,844 5.466,846 8.521,847 4.43,848 7.839,849 1.437,850 9.608,851 4.718,852 6.532,853 7.565,854 1.206,855 11.611,856 6.294,857 9.263,858 1.366,859 11.449,860 3.492,861 7.223,862 8.627,864 13.829,865 6.871,866 10.729,867 1.305,868 13.342,869 3.04,870 8.66,871 10.323,872 0.972,873 16.577,874 8.266,875 12.225,876 1,877 15.271,878 2.616,879 9.691,880 11.682,882 19.074,883 9.187,884 13.742,885 0.797,886 17.226,887 2.275,888 10.988,889 13.268,890 0.789,891 21.742,892 10.426,893 3.626,894 0.677,895 19.199,896 1.851,897 12.155,898 14.737,900 24.337,901 11.493,902 3.375,903 14.542,904 21.187,905 1.698,906 13.416,907 16.293,908 0.634,909 26.991,910 12.683,911 2.948,912 12.407,913 23.187,914 4.821,915 14.638,916 17.807,918 29.624,919 13.814,920 2.591,921 10.237,922 25.195,923 4.555,924 15.893,925 19.356,926 0.504,927 32.279,928 14.992,929 2.507,930 8.15,931 27.21,932 3.858,933 17.139,934 20.89,936 34.929,937 16.152,938 2.287,939 7.143,940 29.231,941 3.602,942 18.398,943 22.439,944 0.395,945 37.589,946 17.331,947 2.051,948 7.021,949 31.256,950 2.709,951 19.656,952 23.983,954 40.248,955 18.505,956 20022,957 32223,958 26.523,959 49.745,960 60.608,961 63.613,962 64.374,963 61.208,964 61.229,965 75.512,966 5.84,967 184.574,968 58.053,969 6.004,970 6.758,971 7.706,972 5.637,973 5.626,974 7.821,975 1.72,976 23.232,977 5.353,978 21.932,979 1.478,980 1.552,981 1.57,982 1.493,983 1.493,984 1.842,985 0.142,986 4.502,987 1.416,988 4.154,989 4.149,990 4.756,991 4.116,992 7.718,993 4.045,994 4.026,995 4.018,996 4.719,997 3.984,998 7.711,999 3.877,1000 3.91,1001 3.928,1002 3.873,1003 3.851,1004 6.999,1005 3.834,1006 3.761,1007 3.799,1008 3.743,1009 3.632,1010 6.999,1011 3.605,1012 3.637,1013 3.658,1014 3.675,1015 3.539,1016 4.903,1017 3.485,1018 3.56,1019 3.593,1020 3.412,1021 3.415,1022 4.738,1023 3.387,1024 3.469,1025 3.493,1026 3.359,1027 3.358,1028 4.573,1029 3.314,1030 3.284,1031 3.339,1032 3.123,1033 2.996,1034 4.393,1035 3,1036 0.122,1037 0.116,1038 0.191,1039 0.111,1040 0.088,1041 5.004,1042 0.118,1043 4.758,1044 0.021,1045 7.843,1046 0.355,1047 4.555,1048 0.082,1049 3.626,1050 4.821,1051 0.86,1052 14.542,1053 3.353,1054 2.025,1055 2.022,1056 2.098,1057 2.121,1058 1.472,1059 2.148,1060 1.902,1061 1.896,1062 2.04,1063 2.054,1064 1.407,1065 2.081,1066 1.884,1067 1.866,1068 1.944,1069 1.981,1070 1.186,1071 1.991,1072 1.711,1073 1.674,1074 1.896,1075 1.865,1076 1.141,1077 1.906,1078 1.596,1079 1.535,1080 1.844,1081 1.775,1082 1.127,1083 1.812,1084 1.485,1085 1.477,1086 1.613,1087 1.64,1088 0.905,1089 1.683,1090 1.38,1091 1.385,1092 1.589,1093 1.579,1094 0.825,1095 1.607,1096 1.209,1097 1.143,1098 1.546,1099 1.526,1100 0.698,1101 1.548,1102 4.419,1104 5.765,1106 7.324,1108 8.982,1110 10.694,1111 5.04,1116 5.857,1117 3.478,1118 10.664,1120 -0.156,1121 2.978,1123 46.21,1124 125.765,1125 257.295,1126 373.897,1127 422.278,1128 426.278,1129 432.278,1130 124.652,1131 8.182,1132 105.25,1133 122.01,1134 24,1135 13.035,1136 4.087,1137 3.459,1138 67.357,1139 169,1140 254,1141 0.187,1142 289.248,1143 511.34,1144 697.525,1145 44880,1147 27.338,1148 0.719,1149 0.633,1150 27.838,1151 24.061,1152 18.206,1153 0.444,1154 0.398,1155 13.322,1156 15.897,1157 12.711,1158 10.539,1159 19.816,1160 16.314,1161 16.642,1162 0.282,1163 0.233,1164 19.228,1165 13.743,1166 13.93,1167 0.176,1168 0.143,1169 16.344,1170 11.264,1171 11.405,1172 0.111,1173 0.086,1174 13.78,1175 8.839,1176 9.417,1177 0.071,1178 0.053,1179 11.589,1180 7.061,1181 0.292,1182 131.05,1183 0.194,1184 34.126,1185 0.519,1186 200,1187 603.757,1188 298.023,1189 606.047,1190 814.53,1191 558,1192 238,1193 535.937,1194 356.555,1195 609.482,1196 892.22,1197 569,1198 6.644} {0 CHEMBL576147,1 1.724,2 14.757,3 4.874,4 23.752,5 150.758,6 8.224,7 0.415,8 4.316,9 4.422,10 4.105,11 3.938,12 5.3,13 3.868,14 4.903,15 5.063,16 4.456,17 4.368,18 6.032,19 4.267,20 5.22,21 5.431,22 4.528,23 4.526,24 6.18,25 4.392,26 5.322,27 5.535,28 4.498,29 4.517,30 6.396,31 4.395,32 5.331,33 5.554,34 4.493,35 4.51,36 6.431,37 4.387,38 5.275,39 5.488,40 4.482,41 4.504,42 6.378,43 4.382,44 5.258,45 5.49,46 4.353,47 4.471,48 6.345,49 4.329,50 5.217,51 5.471,52 4.306,53 4.399,54 6.144,55 4.242,56 0.092,57 1.026,58 16.147,59 6.897,60 16.535,61 8.32,62 0.487,63 1.74,64 29.779,65 12.072,66 57.81,67 14.994,68 0.423,69 2.259,70 52.832,71 17.876,72 55.905,73 21.557,74 0.715,75 2.387,76 59.354,77 18.741,78 105.022,79 21.752,80 0.929,81 2.311,82 60.413,83 19.217,84 132.552,85 22.521,86 0.83,87 2.216,88 54.053,89 18.245,90 121.998,91 22.348,92 0.735,93 2.22,94 49.587,95 17.511,96 121.711,97 22.723,98 0.448,99 2.059,100 52.137,101 17.587,102 67.524,103 22.484,104 17,105 58,106 0.27,107 0.581,108 0.764,109 0.861,110 0.866,111 0.866,112 3.642,113 1.118,114 -4.56,115 -4.49,116 -4.22,117 39.7,119 4,123 4,124 2,126 10,127 1,128 3,132 1,133 1,135 1,139 9,140 4,141 5,143 2,145 2,147 13,151 9,153 1,155 3,157 9,160 15,162 1,164 4,166 3,168 2,169 8,171 2,173 2,175 11,178 7,180 1,181 1,182 4,184 14,186 4,187 8,191 3,193 10,197 9,203 7,207 12,209 1,211 4,213 7,216 2879,217 25.048,218 25.048,219 25.048,220 25.048,221 25.048,222 22.553,223 34.173,224 14.726,225 25.806,226 20.221,227 20.221,228 20.221,229 20.221,230 20.221,231 16.437,232 51.689,233 6.982,234 21.515,235 4.363,236 2.38,237 1.209,238 0.588,239 0.559,240 0.559,241 4.346,242 1,244 1,245 1199,246 4.183,249 117.472,250 449.624,252 186.529,253 2.114,254 46.581,256 0.75,257 0.83,258 0.83,259 0.7,260 0.5,261 0.83,262 1,263 0.78,264 79.333,265 546,266 4.978,267 4.735,268 7.801,269 4.531,270 3.6,271 4.785,272 1.701,273 14.344,274 3.337,275 4.232,276 3.678,277 6.49,278 3.846,279 2.886,280 3.826,281 0.657,282 9.859,283 2.757,284 3.968,285 3.247,286 6.031,287 3.771,288 2.821,289 3.48,290 0.563,291 8.596,292 2.67,293 3.92,294 2.895,295 5.724,296 3.491,297 2.571,298 3.396,299 0.4,300 7.458,301 2.376,302 3.839,303 2.841,304 5.416,305 3.368,306 2.426,307 3.113,308 0.075,309 7.161,310 2.277,311 3.47,312 2.591,313 5.239,314 3.296,315 2.353,316 2.561,318 6.661,319 2.192,320 3.397,321 2.517,322 5.149,323 3.192,324 2.246,325 2.456,327 6.253,328 2.084,329 3.066,330 2.144,331 4.894,332 2.714,333 1.758,334 2.224,336 5.138,337 1.651,338 2.926,339 1.992,340 4.494,341 2.506,342 1.536,343 2.07,345 4.197,346 1.472,347 2.853,348 1.646,349 4.188,350 2.413,351 1.453,352 1.974,354 3.811,355 1.371,356 2.699,357 1.467,358 3.685,359 2.369,360 1.385,361 1.739,363 3.03,364 1.34,365 2.561,366 1.451,367 3.557,368 2.213,369 1.263,370 1.535,372 2.774,373 1.188,374 2.5,375 1.185,376 3.516,377 2,378 1,379 1.5,381 2.275,382 1,383 2.118,384 1.077,385 3.414,386 1.984,387 1,388 1,390 2.275,391 0.983,392 2.012,393 1,394 3.414,395 1.758,396 0.767,397 0.927,399 1.816,400 0.758,401 18.481,402 0.499,403 0.93,404 0.025,405 44.75,406 1.209,407 21,408 0.568,409 23.75,410 0.642,411 38.607,412 1.043,413 40.319,414 0.593,415 36.316,416 0.982,417 8.19,418 0.221,419 9.724,420 0.263,421 0.093,422 0.045,423 0.26,425 0.573,426 1.325,427 0.721,428 1.064,429 0.581,430 0.933,431 0.618,432 1.085,433 0.803,434 0.911,435 0.505,436 0.974,437 0.939,438 1.149,439 1.045,440 1.106,441 0.75,442 1.019,443 1.483,444 1.059,445 1.094,446 1.053,447 1.491,448 1.007,449 1.413,450 0.862,451 0.848,452 0.837,453 1.689,454 0.877,455 1.018,456 1.015,457 0.851,458 0.993,459 1.236,460 1.003,461 0.742,462 1.061,463 0.791,464 0.941,465 0.702,466 1.03,467 0.886,468 0.986,469 0.841,470 0.893,471 0.76,472 0.932,473 7.5,474 0.176,475 5.111,476 2.722,477 2.414,478 1.51,479 0.757,480 0.689,481 0.605,482 0.303,483 22838,484 63408,485 2.11,486 45.6,487 2,488 20,489 1,491 2,493 2,494 4,495 1.78,496 1.991,497 3.759,498 0.189,500 117.231,501 1.724,502 3.707,503 4.878,504 5.499,505 5.529,506 5.529,507 3.26,508 4.594,509 5.175,510 3.996,511 2661.02,512 9.107,513 43943.1,516 413.947,517 1.444,518 5.144,519 0.183,520 0.005,521 0.088,522 0.045,523 0.042,524 0.026,525 0.013,526 0.013,527 0.013,528 0.007,529 0.436,530 0.17,531 0.75,532 0.488,533 204.99,534 0.059,535 -0.134,536 0.13,537 -0.028,538 -0.081,539 0.031,540 0.224,541 0.052,542 0.028,543 0.037,544 0.194,545 -0.039,546 -0.049,547 -0.088,548 -0.044,549 -0.083,550 0.025,551 -0.042,552 -0.201,553 -0.024,554 -0.124,555 -0.07,556 -0.109,557 -0.069,558 -0.093,559 0.115,560 0.013,561 0.1,562 -0.127,563 0.063,564 0.073,565 -0.047,566 0.006,567 -0.062,568 -0.009,569 -0.04,570 0.141,571 -0.082,572 -0.009,573 -0.055,574 0.168,575 -0.067,576 -0.019,577 -0.042,578 0.063,579 0.021,580 0.031,581 0.055,582 4.761,583 6.754,584 0.73,585 47.116,586 1.003,587 1.121,588 3.333,589 11.11,590 0.694,591 3.738,592 4.078,593 4.357,594 4.605,595 4.828,596 4.905,597 5.011,598 5.124,599 5.236,600 5.242,601 8.47,602 0.644,603 559.21,604 3.738,605 5.293,606 6.151,607 7.036,608 7.913,609 8.807,610 9.693,611 10.593,612 11.486,613 12.391,614 5.9,616 1,619 1,620 2,624 11,626 1,627 5,628 17,633 1,634 68,635 20,636 2,637 41,638 72,639 27,640 16,641 4,642 8,644 5,645 6,646 1,648 1,652 6,654 6,655 17,656 10,658 3,659 1,660 3,662 1,665 31,666 7,667 2,668 10,669 3,670 4,672 0.8,673 3,679 1,680 4,682 1,687 1,692 4,694 2,696 1,698 37,700 1,702 8,703 2,706 2,707 2,709 1,710 1,711 4.4,714 3,717 18.583,718 11.71,719 8.028,720 4.158,721 2.566,722 1.309,723 1.001,724 8.518,725 10.877,726 3.98,727 4.546,728 5.02,729 5.492,730 5.874,731 6.03,732 6.261,733 6.48,734 6.741,735 6.893,736 0.9,737 60,738 14.126,739 6.452,740 7.758,741 26.779,742 23.067,743 2.258,744 83.528,748 341.362,749 174.686,750 40.664,751 39.149,752 69.458,754 37.085,755 137.6,756 449.968,757 40.664,759 39.696,760 126.23,761 69.458,762 12.512,763 17.405,764 360.869,765 39.149,766 341.362,767 178.265,768 69.458,769 76.234,770 270.735,771 140.084,773 57.707,774 120.558,775 44.956,776 31.278,777 341.362,778 110.122,779 213.834,780 5.807,781 341.362,782 66.467,783 107.054,784 36.022,785 108.607,786 341.362,787 110.122,788 213.834,789 0.586,790 0.344,791 0.181,792 0.097,793 28,794 12,795 0.097,796 7,797 1,798 1.074,799 4.743,800 362.222,801 0.074,802 27,803 182.75,804 1,805 1,806 26.638,807 11.832,808 6.205,810 110.122,811 20.06,813 1.744,814 3.627,815 36.022,816 665.318,817 52.5,818 -3.844,819 40.524,821 -0.139,822 68.236,823 76.218,824 0.283,825 0.609,826 0.801,827 0.903,828 0.908,829 0.908,830 5.238,831 1.758,832 6.155,833 6.253,834 4.762,835 5.234,836 2.031,837 7.009,838 4.645,839 6.438,840 1.536,841 7.746,842 5.138,843 4.443,844 5.173,845 1.305,846 8.217,847 4.215,848 7.765,849 1.453,850 9.458,851 4.197,852 6.425,853 7.433,854 2.545,855 11.333,856 6.181,857 9.135,858 1.385,859 11.25,860 3.811,861 6.976,862 8.27,863 2.473,864 13.479,865 6.613,866 10.55,867 1.263,868 13.1,869 3.03,870 8.444,871 10.037,872 3.393,873 16.235,874 8.057,875 11.996,876 1,877 14.994,878 2.774,879 9.388,880 11.27,881 3.608,882 18.724,883 8.889,884 13.47,885 1,886 16.921,887 2.275,888 10.688,889 12.881,890 4.359,891 21.404,892 10.146,893 3.6,894 0.767,895 18.874,896 2.275,897 11.811,898 14.292,899 4.717,900 24.008,901 11.168,902 2.886,903 14.344,904 20.849,905 1.816,906 13.068,907 15.856,908 5.372,909 26.672,910 12.364,911 2.821,912 9.859,913 22.84,914 4.785,915 14.271,916 17.348,917 5.808,918 29.314,919 13.476,920 2.571,921 8.596,922 24.845,923 3.826,924 15.525,925 18.902,926 6.409,927 31.976,928 14.658,929 2.426,930 7.458,931 26.86,932 3.48,933 16.765,934 20.43,935 6.887,936 34.631,937 15.814,938 2.353,939 7.161,940 28.883,941 3.396,942 18.025,943 21.985,944 7.458,945 37.294,946 16.998,947 2.246,948 6.661,949 30.913,950 3.113,951 19.284,952 23.531,953 7.96,954 39.954,955 18.174,956 21238,957 35639,958 27.622,959 47.199,960 61.887,961 63.5,962 62.586,963 61.688,964 61.502,965 77.418,966 6.794,967 179.16,968 57.929,969 5.978,970 6.735,971 7.485,972 5.615,973 5.6,974 7.785,975 2.972,976 22.831,977 5.337,978 16.14,979 1.509,980 1.549,981 1.526,982 1.505,983 1.5,984 1.888,985 0.166,986 4.37,987 1.413,988 4.136,989 4.134,990 4.746,991 4.107,992 7.715,993 4.035,994 3.925,995 3.967,996 4.217,997 3.917,998 7.429,999 3.846,1000 3.902,1001 3.923,1002 3.932,1003 3.86,1004 6.999,1005 3.833,1006 3.815,1007 3.843,1008 3.868,1009 3.693,1010 4.929,1011 3.688,1012 3.643,1013 3.683,1014 3.764,1015 3.564,1016 4.742,1017 3.515,1018 3.542,1019 3.532,1020 3.49,1021 3.42,1022 4.681,1023 3.375,1024 3.391,1025 3.447,1026 3.295,1027 3.161,1028 4.353,1029 3.187,1030 3.197,1031 3.29,1032 3.155,1033 2.987,1034 4.261,1035 2.982,1036 0.121,1037 0.115,1038 0.19,1039 0.111,1040 0.088,1041 4.978,1042 0.117,1043 4.735,1044 0.041,1045 7.801,1046 0.35,1047 4.531,1048 0.081,1049 3.6,1050 4.785,1051 1.701,1052 14.344,1053 3.337,1054 2.021,1055 2.017,1056 2.094,1057 2.115,1058 1.418,1059 2.137,1060 1.896,1061 1.88,1062 2.036,1063 2.034,1064 1.398,1065 2.04,1066 1.838,1067 1.778,1068 1.947,1069 1.956,1070 1.135,1071 1.985,1072 1.616,1073 1.571,1074 1.811,1075 1.794,1076 1.007,1077 1.8,1078 1.559,1079 1.522,1080 1.73,1081 1.699,1082 0.958,1083 1.72,1084 1.404,1085 1.402,1086 1.557,1087 1.562,1088 0.825,1089 1.573,1090 1.366,1091 1.382,1092 1.513,1093 1.501,1094 0.767,1095 1.551,1096 1.292,1097 1.233,1098 1.508,1099 1.474,1100 0.653,1101 1.518,1102 4.419,1104 5.753,1105 2.398,1106 7.284,1107 4.443,1108 8.909,1109 6.26,1110 10.587,1112 6.001,1116 5.622,1117 6.614,1120 0.005,1121 3.314,1123 43.807,1124 117.231,1125 252.106,1126 331.709,1127 373.947,1128 375.947,1129 375.947,1130 87.032,1131 8.312,1132 81.75,1133 118.37,1134 29,1135 12.912,1136 4.392,1137 3.644,1138 56.891,1139 183,1140 216,1141 0.145,1142 276.211,1143 480,1144 665.714,1145 57393,1146 1.5,1147 25.83,1148 0.698,1149 0.618,1150 26.933,1151 22.865,1152 17.914,1153 0.437,1154 0.373,1155 12.68,1156 15.853,1157 12.216,1158 10.018,1159 19.445,1160 15.278,1161 16.413,1162 0.283,1163 0.22,1164 18.713,1165 12.767,1166 13.919,1167 0.181,1168 0.131,1169 16.168,1170 10.103,1171 11.313,1172 0.114,1173 0.076,1174 13.408,1175 7.564,1176 8.972,1177 0.072,1178 0.045,1179 10.753,1180 5.556,1181 0.232,1182 126.625,1183 0.19,1184 34.043,1185 0.387,1186 198,1187 547.087,1188 291.314,1189 600.213,1190 805.31,1191 556,1192 234,1193 521.905,1194 327.77,1195 587.918,1196 862.82,1197 554,1198 5} {0 CHEMBL576341,1 1.632,2 14.436,3 3.967,4 15.738,5 152.907,6 7.408,7 0.279,8 4.449,9 4.551,10 4.211,11 4,12 5.36,13 3.935,14 5.072,15 5.241,16 4.49,17 4.413,18 6.223,19 4.323,20 5.365,21 5.575,22 4.65,23 4.627,24 6.314,25 4.504,26 5.494,27 5.689,28 4.702,29 4.701,30 6.614,31 4.575,32 5.561,33 5.773,34 4.676,35 4.724,36 6.631,37 4.587,38 5.566,39 5.786,40 4.667,41 4.678,42 6.626,43 4.548,44 5.486,45 5.71,46 4.619,47 4.638,48 6.691,49 4.507,50 5.465,51 5.692,52 4.541,53 4.607,54 6.469,55 4.467,56 0.146,57 1.17,58 23.787,59 8.5,60 25.829,61 10.503,62 0.711,63 1.926,64 40.532,65 14.41,66 96.53,67 18.203,68 0.6,69 2.494,70 62.23,71 20.047,72 72.416,73 24.617,74 1.18,75 2.683,76 72.623,77 22.808,78 146.984,79 27.192,80 1.044,81 2.757,82 79.702,83 24.914,84 156.845,85 29.801,86 1.439,87 2.684,88 75.118,89 22.839,90 186.996,91 28.717,92 1.193,93 2.57,94 66.424,95 21.604,96 211.346,97 27.405,98 0.812,99 2.503,100 70.619,101 22.098,102 111.318,103 26.978,104 41,105 63,106 0.25,107 0.505,108 0.721,109 0.835,110 0.847,111 0.858,112 3.693,113 1.176,114 -3.42,115 -3.4,116 -3.25,117 35.9,119 8,122 2,123 3,124 3,126 7,127 1,128 4,139 9,140 6,141 9,145 4,147 10,151 11,155 1,157 7,159 4,160 20,162 1,166 9,168 3,169 9,175 11,177 3,178 11,180 2,184 12,186 6,187 12,191 1,193 9,197 18,203 4,206 3,207 18,209 1,211 1,213 6,216 3272,217 26.192,218 26.192,219 26.192,220 26.192,221 26.192,222 24.185,223 39.691,224 15.031,225 26.992,226 21.076,227 21.076,228 21.076,229 21.076,230 21.076,231 17.731,232 64.237,233 6.915,234 22.208,235 4.654,236 2.991,237 1.58,238 0.84,239 0.763,240 0.686,241 4.39,244 1,245 1226,246 4.69,248 101.875,250 470.795,252 193.834,253 1.957,254 63.805,256 0.75,257 0.5,258 0.67,259 0.9,260 1,261 0.83,262 1,263 0.81,264 85.5,265 563,266 5.004,267 4.758,268 7.843,269 4.555,270 3.626,271 4.821,272 0.86,273 14.542,274 3.353,275 4.792,276 4.513,277 7.293,278 4.305,279 3.375,280 4.555,281 0.86,282 12.407,283 3.119,284 4.271,285 3.267,286 6.592,287 3.906,288 2.948,289 3.858,290 0.4,291 10.237,292 2.813,293 4.011,294 2.916,295 5.918,296 3.664,297 2.699,298 3.602,299 0.4,300 8.15,301 2.602,302 3.708,303 2.879,304 5.606,305 3.553,306 2.591,307 2.712,308 0.4,309 7.759,310 2.49,311 3.478,312 2.575,313 5.54,314 3.296,315 2.322,316 2.707,318 7.131,319 2.258,320 3.343,321 2.529,322 5.166,323 3.238,324 2.268,325 2.45,327 6.329,328 2.194,329 3.314,330 2.426,331 5.128,332 2.98,333 2.05,334 2.333,336 6.079,337 1.896,338 2.948,339 2.107,340 4.81,341 2.63,342 1.664,343 2.091,345 4.924,346 1.606,347 2.86,348 1.928,349 4.715,350 2.568,351 1.64,352 1.982,354 4.709,355 1.509,356 2.773,357 1.537,358 4.28,359 2.42,360 1.431,361 1.874,363 3.492,364 1.412,365 2.736,366 1.429,367 3.699,368 2.281,369 1.305,370 1.724,372 3.039,373 1.269,374 2.016,375 1.087,376 3.569,377 1.984,378 1,379 1,381 2.275,382 0.983,383 2,384 1.077,385 3.415,386 1.801,387 0.813,388 0.928,390 1.881,391 0.802,392 1.856,393 0.975,394 3.414,395 1.741,396 0.766,397 0.799,399 1.81,400 0.745,401 18.867,402 0.484,403 1.12,404 0.029,405 44.5,406 1.141,407 19.5,408 0.5,409 25,410 0.641,411 45.116,412 1.157,413 45.333,414 0.581,415 39.583,416 1.015,417 7.653,418 0.196,419 11.071,420 0.284,421 0.124,422 0.088,423 0.254,425 0.564,426 1.519,427 0.867,428 1.4,429 0.625,430 1.102,431 0.812,432 1.169,433 0.931,434 1.003,435 0.544,436 1.002,437 0.991,438 1.102,439 1.138,440 1.109,441 0.853,442 0.961,443 1.192,444 1.06,445 1.308,446 1.187,447 1.402,448 1.055,449 1.206,450 1.046,451 1.174,452 1.139,453 1.548,454 1.038,455 1.212,456 0.965,457 1.002,458 0.971,459 1.458,460 0.973,461 0.927,462 0.995,463 0.961,464 0.968,465 0.852,466 0.963,467 1.165,468 1.044,469 1.186,470 1.133,471 1.102,472 0.996,473 9.5,474 0.256,475 5.667,476 4,477 2.951,478 2.042,479 1.259,480 0.974,481 0.776,482 0.425,483 23857,484 57619,485 2.067,486 50,487 4,488 22,491 1,493 6,494 6,495 1.798,496 1.918,497 3.712,498 -0.332,500 127.26,501 1.632,502 3.295,503 4.706,504 5.446,505 5.522,506 5.599,507 3.193,508 4.958,509 5.25,510 3.912,511 2898.79,512 9.285,513 47780.5,516 490.261,517 1.62,518 5.199,519 0.221,520 0.006,521 0.093,522 0.059,523 0.042,524 0.03,525 0.02,526 0.015,527 0.013,528 0.008,529 0.507,530 0.33,531 0.63,532 0.771,533 216.517,534 0.118,535 -0.213,536 0.265,537 -0.111,538 -0.103,539 0.014,540 0.162,541 -0.013,542 0.055,543 0.043,544 0.246,545 0.002,546 -0.083,547 0.019,548 0.023,549 0.019,550 -0.01,551 0.053,552 -0.011,553 0.021,554 -0.103,555 -0.048,556 -0.036,557 -0.057,558 -0.082,559 -0.035,560 -0.05,561 -0.051,562 -0.107,563 -0.035,564 -0.001,565 0.009,566 0.028,567 0.022,568 -0.109,569 -0.004,570 0.127,571 0.013,572 0.051,573 0.029,574 0.255,575 0.018,576 -0.107,577 -0.029,578 -0.044,579 -0.046,580 -0.037,581 0.004,582 4.981,583 7.158,584 0.667,585 46.761,586 1.004,587 1.129,588 2.186,589 4.78,590 0.651,591 3.784,592 4.159,593 4.454,594 4.691,595 4.942,596 5.05,597 5.193,598 5.278,599 5.394,600 5.398,601 8.022,602 0.605,603 577.84,604 3.784,605 5.361,606 6.232,607 7.141,608 8.032,609 8.946,610 9.845,611 10.763,612 11.667,613 12.588,614 3.8,616 1,617 1,619 1,624 7,627 5,628 12,632 2,634 78,635 16,636 2,637 43,638 82,639 28,640 12,641 5,642 7,644 5,645 6,652 10,654 11,655 12,656 16,658 4,659 2,660 4,665 39,666 9,667 1,668 11,669 2,670 3,672 0.8,673 6,678 1,680 4,682 1,687 1,692 4,694 2,695 2,698 39,700 2,702 11,703 1,704 2,706 3,707 2,711 7.7,714 4,716 2,717 20.333,718 14.067,719 8.486,720 4.897,721 2.21,722 1.263,723 0.973,724 8.795,725 10.612,726 3.989,727 4.585,728 5.024,729 5.49,730 5.948,731 6.148,732 6.437,733 6.608,734 6.881,735 7.046,736 0.9,737 68,738 15.257,739 7.274,740 7.812,741 28.533,742 25.074,743 2.312,744 90.167,748 447.302,749 143.082,750 21.048,752 110.626,754 11.615,755 131.467,756 557.928,757 21.048,758 21.766,759 25.387,760 95.959,761 88.626,762 43.017,764 447.302,766 447.302,767 152.515,768 110.626,769 11.615,770 306.049,771 251.879,773 44.917,774 107.598,775 11.615,777 447.302,778 131.674,779 143.082,780 11.615,781 447.302,782 43.367,783 91.137,784 18.011,785 110.626,786 447.302,787 131.674,788 143.082,789 0.591,790 0.356,791 0.183,792 0.102,793 31,794 14,795 0.122,796 10,797 1,798 1.077,799 4.709,800 402.634,801 0.077,802 26,803 194.131,805 2,806 28.689,807 11.956,808 6.105,810 131.674,811 12.056,814 2.207,815 18.011,816 722.057,817 53,818 -7.581,819 55.058,822 78.327,823 88.065,824 0.26,825 0.524,826 0.749,827 0.866,828 0.879,829 0.891,830 5.283,831 2.05,832 6.275,833 6.329,834 4.844,835 5.273,836 1.593,837 7.188,838 4.742,839 6.512,840 1.664,841 7.908,842 6.079,843 4.691,844 5.491,846 8.552,847 4.492,848 7.888,849 1.64,850 9.663,851 4.924,852 6.605,853 7.592,854 1.206,855 11.644,856 6.38,857 9.307,858 1.431,859 11.496,860 4.709,861 7.273,862 8.639,864 13.844,865 6.931,866 10.768,867 1.305,868 13.381,869 3.492,870 8.717,871 10.334,872 0.972,873 16.589,874 8.339,875 12.257,876 1,877 15.302,878 3.039,879 9.728,880 11.687,882 19.079,883 9.236,884 13.768,885 0.813,886 17.25,887 2.275,888 11.025,889 13.272,890 0.789,891 21.746,892 10.479,893 3.626,894 0.766,895 19.218,896 1.881,897 12.181,898 14.739,900 24.339,901 11.53,902 3.375,903 14.542,904 21.202,905 1.81,906 13.439,907 16.294,908 0.634,909 26.992,910 12.72,911 2.948,912 12.407,913 23.197,914 4.821,915 14.655,916 17.807,918 29.625,919 13.84,920 2.699,921 10.237,922 25.203,923 4.555,924 15.908,925 19.356,926 0.504,927 32.279,928 15.016,929 2.591,930 8.15,931 27.216,932 3.858,933 17.15,934 20.89,936 34.929,937 16.17,938 2.322,939 7.759,940 29.235,941 3.602,942 18.407,943 22.439,944 0.395,945 37.589,946 17.347,947 2.268,948 7.131,949 31.259,950 2.712,951 19.662,952 23.984,954 40.248,955 18.518,956 22431,957 35216,958 28.315,959 50.745,960 63.978,961 66.971,962 66.991,963 64.247,964 64.21,965 78.492,966 5.84,967 195.812,968 61.005,969 6.004,970 6.758,971 7.526,972 5.637,973 5.626,974 7.821,975 1.72,976 23.232,977 5.353,978 20.283,979 1.488,980 1.557,981 1.558,982 1.494,983 1.493,984 1.825,985 0.136,986 4.554,987 1.419,988 4.155,989 4.152,990 4.756,991 4.117,992 7.718,993 4.046,994 4.03,995 4.031,996 4.719,997 3.985,998 7.711,999 3.882,1000 3.912,1001 3.936,1002 3.873,1003 3.851,1004 6.999,1005 3.836,1006 3.882,1007 3.912,1008 3.789,1009 3.768,1010 6.999,1011 3.744,1012 3.678,1013 3.722,1014 3.736,1015 3.57,1016 4.903,1017 3.544,1018 3.624,1019 3.608,1020 3.554,1021 3.527,1022 4.738,1023 3.467,1024 3.476,1025 3.495,1026 3.403,1027 3.369,1028 4.573,1029 3.323,1030 3.284,1031 3.339,1032 3.123,1033 2.995,1034 4.436,1035 3,1036 0.116,1037 0.111,1038 0.182,1039 0.106,1040 0.084,1041 5.004,1042 0.112,1043 4.758,1044 0.02,1045 7.843,1046 0.338,1047 4.555,1048 0.078,1049 3.626,1050 4.821,1051 0.86,1052 14.542,1053 3.353,1054 2.025,1055 2.022,1056 2.111,1057 2.122,1058 1.503,1059 2.149,1060 1.924,1061 1.901,1062 2.097,1063 2.084,1064 1.461,1065 2.104,1066 1.893,1067 1.874,1068 1.986,1069 1.988,1070 1.38,1071 2.02,1072 1.836,1073 1.808,1074 1.944,1075 1.972,1076 1.171,1077 1.988,1078 1.671,1079 1.626,1080 1.845,1081 1.806,1082 1.135,1083 1.847,1084 1.492,1085 1.497,1086 1.612,1087 1.643,1088 0.906,1089 1.685,1090 1.38,1091 1.386,1092 1.589,1093 1.579,1094 0.825,1095 1.607,1096 1.209,1097 1.143,1098 1.546,1099 1.526,1100 0.696,1101 1.548,1102 4.466,1104 5.849,1106 7.425,1108 9.085,1110 10.791,1111 2.931,1116 7.679,1117 3.662,1118 10.683,1120 0.464,1121 3.008,1123 47.21,1124 127.26,1125 256.972,1126 367.042,1127 424.752,1128 430.752,1129 436.752,1130 113.796,1131 8.402,1132 105.25,1133 122.01,1134 28,1135 13.1,1136 4.087,1137 3.459,1138 61.318,1139 180,1140 244,1141 0.159,1142 291.447,1143 516.28,1144 702.89,1145 60938,1147 27.623,1148 0.708,1149 0.624,1150 28.123,1151 24.345,1152 18.724,1153 0.435,1154 0.392,1155 13.869,1156 16.422,1157 13.299,1158 10.937,1159 20.334,1160 16.859,1161 17.533,1162 0.278,1163 0.231,1164 20.119,1165 14.583,1166 14.856,1167 0.175,1168 0.143,1169 17.269,1170 12.158,1171 11.855,1172 0.11,1173 0.085,1174 14.23,1175 9.157,1176 9.727,1177 0.07,1178 0.052,1179 11.899,1180 7.285,1181 0.249,1182 134.11,1183 0.188,1184 35.004,1185 0.438,1186 212,1187 615.757,1188 310.356,1189 618.189,1190 834.65,1191 570,1192 254,1193 554.219,1194 372.889,1195 627.669,1196 920.64,1197 587,1198 6.254} {0 CHEMBL577599,1 1.631,2 14,3 5.681,4 32.268,5 147.779,6 7.914,7 0.436,8 4.291,9 4.399,10 4.062,11 3.934,12 5.21,13 3.848,14 4.891,15 5.057,16 4.405,17 4.367,18 5.944,19 4.252,20 5.213,21 5.433,22 4.467,23 4.533,24 6.09,25 4.376,26 5.32,27 5.55,28 4.428,29 4.548,30 6.271,31 4.387,32 5.352,33 5.595,34 4.437,35 4.544,36 6.298,37 4.39,38 5.302,39 5.53,40 4.422,41 4.549,42 6.309,43 4.396,44 5.285,45 5.526,46 4.273,47 4.554,48 6.064,49 4.365,50 5.303,51 5.574,52 4.201,53 4.452,54 6.121,55 4.257,56 0.092,57 0.98,58 17.06,59 7.046,60 14.366,61 8.801,62 0.369,63 1.702,64 31.188,65 12.325,66 52.836,67 15.657,68 0.346,69 2.246,70 53.568,71 18.3,72 46.544,73 22.57,74 0.526,75 2.396,76 59.845,77 20.379,78 71.505,79 24.57,80 0.594,81 2.373,82 63.71,83 21.058,84 91.949,85 25.515,86 0.804,87 2.296,88 55.721,89 19.277,90 106.022,91 24.194,92 0.307,93 2.324,94 54.514,95 20.345,96 44.4,97 26.204,98 0.481,99 2.202,100 57.206,101 19.988,102 67.98,103 25.909,104 10,105 55,106 0.257,107 0.545,108 0.729,109 0.824,110 0.848,111 0.861,112 3.588,113 1.159,114 -5.35,115 -5.24,116 -4.9,117 40.3,119 5,123 4,124 2,126 10,127 1,128 3,132 1,133 1,139 9,140 3,141 7,145 2,147 14,151 9,155 2,157 10,159 1,160 16,162 1,164 1,166 7,169 7,175 15,177 2,178 9,182 1,184 19,187 6,193 10,197 8,199 1,201 1,203 10,211 1,213 13,216 2513,217 23.841,218 23.841,219 23.841,220 23.841,221 23.841,222 21.476,223 33.55,224 14.087,225 24.564,226 19.26,227 19.26,228 19.26,229 19.26,230 19.26,231 15.749,232 54.582,233 6.707,234 20.52,235 4.435,236 2.604,237 1.436,238 0.832,239 0.679,240 0.597,241 4.295,242 1,244 1,245 1080,246 3.808,249 107.205,250 412.375,252 171.249,253 1.943,254 35.318,256 0.75,257 0.83,258 0.83,259 0.7,260 0.5,261 0.83,262 1,263 0.78,264 73.833,265 490,266 4.978,267 4.735,268 7.801,269 4.531,270 3.6,271 4.785,272 0.8,273 14.344,274 3.338,275 4.232,276 3.249,277 6.49,278 3.844,279 2.883,280 3.826,281 0.657,282 9.859,283 2.757,284 3.927,285 2.925,286 5.73,287 3.627,288 2.681,289 3.48,290 0.4,291 7.557,292 2.539,293 3.84,294 2.895,295 5.509,296 3.437,297 2.526,298 3.396,300 7.364,301 2.319,302 3.657,303 2.772,304 5.348,305 3.363,306 2.423,307 2.673,309 6.976,310 2.253,311 3.44,312 2.512,313 5.164,314 3.24,315 2.298,316 2.546,318 6.341,319 2.122,320 3.182,321 2.376,322 5.087,323 3.048,324 2.119,325 2.26,327 6.195,328 1.957,329 3.051,330 1.968,331 4.881,332 2.709,333 1.749,334 2.163,336 5.105,337 1.651,338 2.925,339 1.639,340 4.494,341 2.477,342 1.498,343 2.065,345 4.197,346 1.445,347 2.841,348 1.471,349 3.701,350 2.377,351 1.395,352 1.955,354 3.049,355 1.341,356 2.648,357 1.444,358 3.563,359 2.248,360 1.3,361 1.696,363 2.805,364 1.221,365 2.5,366 1.077,367 3.526,368 2,369 1,370 1.5,372 2.275,373 1,374 2.118,375 1,376 3.414,377 1.984,378 1,379 1,381 2.275,382 0.983,383 2.013,384 0.953,385 3.414,386 1.83,387 0.849,388 0.929,390 1.953,391 0.831,392 2,393 0.852,394 3.289,395 1.688,396 0.717,397 0.927,399 1.78,400 0.693,401 17.748,402 0.507,403 0.841,404 0.024,405 41.5,406 1.186,407 19.5,408 0.557,409 22,410 0.629,411 37.743,412 1.078,413 38.052,414 0.568,415 30.903,416 0.883,417 7.335,418 0.21,419 9.668,420 0.276,421 0.078,422 0.047,423 0.242,425 0.535,426 1.296,427 0.734,428 1.066,429 0.608,430 0.952,431 0.748,432 1.13,433 0.815,434 0.916,435 0.524,436 0.977,437 0.979,438 1.138,439 1.045,440 1.086,441 0.707,442 1.017,443 1.273,444 1.013,445 1.028,446 1.048,447 1.291,448 1.012,449 1.345,450 0.918,451 0.8,452 0.876,453 1.653,454 0.865,455 1.067,456 0.925,457 0.857,458 0.907,459 1.28,460 0.976,461 0.633,462 1.142,463 0.908,464 1.104,465 0.581,466 1.12,467 0.954,468 0.908,469 0.807,470 0.842,471 1.018,472 0.935,473 7,474 0.201,475 4.444,476 2.347,477 2.374,478 1.337,479 0.614,480 0.67,481 0.399,482 0.19,483 19628,484 50667,485 2.134,486 47.8,487 2,488 20,489 1,491 1,493 2,494 6,495 1.767,496 2.029,497 3.681,498 -0.373,500 109.291,501 1.631,502 3.462,503 4.63,504 5.234,505 5.387,506 5.469,507 3.204,508 4.651,509 5.093,510 3.919,511 2331.6,512 8.948,513 36765.4,516 406.428,517 1.375,518 5.07,519 0.179,520 0.007,521 0.081,522 0.042,523 0.044,524 0.024,525 0.011,526 0.014,527 0.01,528 0.005,529 0.418,530 0.17,531 0.75,532 0.45,533 190.209,534 0.116,535 -0.126,536 0.142,537 -0.028,538 -0.096,539 0.032,540 0.168,541 -0.002,542 0.026,543 0.028,544 0.232,545 -0.034,546 -0.055,547 -0.074,548 -0.047,549 -0.072,550 0.059,551 -0.044,552 -0.08,553 0.007,554 -0.077,555 -0.062,556 0.006,557 -0.054,558 -0.092,559 0.041,560 0.059,561 0.078,562 -0.081,563 0.094,564 0.083,565 0.058,566 -0.018,567 0.006,568 0.025,569 -0.024,570 -0.002,571 -0.162,572 -0.075,573 -0.146,574 -0.014,575 -0.124,576 -0.021,577 0.003,578 0.042,579 0.044,580 -0.054,581 0.041,582 4.601,583 6.797,584 0.771,585 43.36,586 0.995,587 1.118,588 4.125,589 17.014,590 0.694,591 3.689,592 4.025,593 4.304,594 4.564,595 4.796,596 4.86,597 4.97,598 5.112,599 5.226,600 5.252,601 8.064,602 0.636,603 530.21,604 3.689,605 5.242,606 6.098,607 6.984,608 7.861,609 8.755,610 9.642,611 10.543,612 11.437,613 12.343,614 4.5,616 1,617 1,619 1,624 11,626 1,627 5,628 17,633 1,634 67,635 19,636 2,637 39,638 71,639 27,640 16,641 4,642 8,644 5,645 6,646 1,652 6,654 7,655 16,656 11,658 2,659 1,660 2,665 32,666 5,667 1,668 8,669 3,670 3,672 0.8,673 2,679 1,680 4,682 1,687 1,688 1,692 4,694 2,696 1,698 35,700 1,702 9,703 1,706 2,707 2,709 1,710 1,711 3,714 2,717 17.25,718 11.543,719 7.583,720 4.229,721 2.583,722 1.313,723 1.004,724 8.025,725 10.836,726 3.922,727 4.491,728 4.972,729 5.463,730 5.851,731 5.999,732 6.224,733 6.455,734 6.706,735 6.861,736 1,737 56,738 13.328,739 6.025,740 7.61,741 25.81,742 22.464,743 2.11,744 73.861,748 364.904,749 172.944,750 22.654,751 39.149,752 44.313,754 37.085,755 135.859,756 448.366,757 22.654,759 21.095,760 126.23,761 44.313,762 15.637,763 13.13,764 384.411,765 39.149,766 364.904,767 158.513,768 44.313,769 76.234,770 270.735,771 138.482,773 42.231,774 116.282,775 44.956,776 31.278,777 364.904,778 66.967,779 212.093,780 5.807,781 364.904,782 64.725,783 107.054,784 18.011,785 83.462,786 364.904,787 66.967,788 212.093,789 0.585,790 0.341,791 0.182,792 0.099,793 27,794 11,795 0.113,796 8,797 1,798 1.074,799 4.611,800 337.247,801 0.074,802 27,803 169.525,804 1,805 1,806 25.069,807 11.204,808 5.875,810 66.967,811 20.834,813 1.799,814 4.121,815 18.011,816 643.964,817 49.5,818 -3.685,819 27.594,822 66.691,823 74.926,824 0.269,825 0.571,826 0.763,827 0.863,828 0.888,829 0.902,830 5.178,831 1.749,832 6.098,833 6.195,834 4.71,835 5.179,836 1.145,837 6.95,838 4.59,839 6.374,840 1.498,841 7.685,842 5.105,843 4.369,844 5.103,845 0.325,846 8.162,847 4.124,848 7.699,849 1.395,850 9.393,851 4.197,852 6.368,853 7.385,854 0.634,855 11.282,856 6.121,857 9.069,858 1.3,859 11.185,860 3.049,861 6.909,862 8.223,863 0.268,864 13.444,865 6.531,866 10.485,867 1,868 13.037,869 2.805,870 8.387,871 10.004,872 0.364,873 16.207,874 7.996,875 11.934,876 1,877 14.935,878 2.275,879 9.33,880 11.243,881 0.188,882 18.707,883 8.821,884 13.412,885 0.849,886 16.867,887 2.275,888 10.638,889 12.862,890 0.215,891 21.392,892 10.091,893 3.6,894 0.717,895 18.827,896 1.953,897 11.765,898 14.278,899 0.125,900 24,901 11.115,902 2.883,903 14.344,904 20.808,905 1.78,906 13.029,907 15.847,908 0.129,909 26.667,910 12.32,911 2.681,912 9.859,913 22.806,914 4.785,915 14.238,916 17.341,917 0.082,918 29.311,919 13.438,920 2.526,921 7.557,922 24.816,923 3.826,924 15.496,925 18.897,926 0.079,927 31.974,928 14.627,929 2.423,930 7.364,931 26.836,932 3.48,933 16.742,934 20.427,935 0.054,936 34.63,937 15.787,938 2.298,939 6.976,940 28.864,941 3.396,942 18.006,943 21.983,944 0.048,945 37.293,946 16.976,947 2.119,948 6.341,949 30.898,950 2.673,951 19.268,952 23.53,953 0.035,954 39.953,955 18.157,956 18192,957 29484,958 26.523,959 46.5,960 58.581,961 59.42,962 59.119,963 58.521,964 58.318,965 73.187,966 3.715,967 169.281,968 54.836,969 5.978,970 6.735,971 7.485,972 5.61,973 5.6,974 7.785,975 1.457,976 22.831,977 5.338,978 13.475,979 1.502,980 1.524,981 1.516,982 1.501,983 1.495,984 1.877,985 0.095,986 4.341,987 1.406,988 4.138,989 4.136,990 4.746,991 4.109,992 7.715,993 4.037,994 3.925,995 3.966,996 4.217,997 3.917,998 6.999,999 3.848,1000 3.9,1001 3.922,1002 3.932,1003 3.862,1004 4.929,1005 3.832,1006 3.813,1007 3.844,1008 3.868,1009 3.702,1010 4.742,1011 3.692,1012 3.636,1013 3.67,1014 3.742,1015 3.565,1016 4.681,1017 3.517,1018 3.528,1019 3.519,1020 3.451,1021 3.436,1022 4.381,1023 3.38,1024 3.34,1025 3.419,1026 3.199,1027 3.164,1028 4.259,1029 3.154,1030 3.158,1031 3.248,1032 3.155,1033 2.965,1034 4.131,1035 2.956,1036 0.128,1037 0.121,1038 0.2,1039 0.116,1040 0.092,1041 4.978,1042 0.123,1043 4.735,1044 0.021,1045 7.801,1046 0.368,1047 4.531,1048 0.086,1049 3.6,1050 4.785,1051 0.8,1052 14.344,1053 3.338,1054 2.024,1055 2.019,1056 2.106,1057 2.119,1058 1.46,1059 2.142,1060 1.897,1061 1.881,1062 2.044,1063 2.033,1064 1.391,1065 2.046,1066 1.847,1067 1.785,1068 1.947,1069 1.956,1070 1.137,1071 1.984,1072 1.635,1073 1.589,1074 1.84,1075 1.785,1076 1.091,1077 1.808,1078 1.552,1079 1.516,1080 1.729,1081 1.685,1082 0.956,1083 1.71,1084 1.405,1085 1.408,1086 1.612,1087 1.538,1088 0.85,1089 1.572,1090 1.367,1091 1.38,1092 1.513,1093 1.501,1094 0.825,1095 1.551,1096 1.307,1097 1.239,1098 1.505,1099 1.45,1100 0.654,1101 1.509,1102 4.369,1104 5.7,1105 2.398,1106 7.231,1107 4.443,1108 8.855,1109 6.26,1110 10.535,1112 6.031,1116 8.791,1117 3.697,1120 0.497,1121 4.182,1123 42.597,1124 109.291,1125 231.961,1126 310.189,1127 350.654,1128 360.918,1129 366.428,1130 71.839,1131 8.253,1132 52.65,1133 89.27,1134 29,1135 12.864,1136 4.322,1137 3.524,1138 52.303,1139 163,1140 195,1141 0.149,1142 268.348,1143 462.85,1144 646.528,1145 52415,1146 1.5,1147 24.253,1148 0.693,1149 0.633,1150 25.356,1151 22.164,1152 17.003,1153 0.436,1154 0.386,1155 12.496,1156 15.068,1157 12.013,1158 9.853,1159 18.535,1160 15.063,1161 15.542,1162 0.283,1163 0.231,1164 17.841,1165 12.724,1166 13.142,1167 0.18,1168 0.14,1169 15.391,1170 10.198,1171 10.813,1172 0.114,1173 0.082,1174 12.908,1175 7.76,1176 8.7,1177 0.073,1178 0.049,1179 10.481,1180 5.865,1181 0.238,1182 120.167,1183 0.194,1184 32.489,1185 0.401,1186 188,1187 469.018,1188 276.88,1189 529.711,1190 716.91,1191 492,1192 222,1193 461.874,1194 311.75,1195 530.053,1196 778.01,1197 500,1198 5.018} {0 CHEMBL577816,1 1.733,2 14.757,3 5.521,4 30.48,5 148.808,6 8.361,7 0.415,8 4.306,9 4.401,10 4.109,11 3.926,12 5.303,13 3.862,14 4.896,15 5.045,16 4.461,17 4.352,18 6.054,19 4.258,20 5.197,21 5.397,22 4.532,23 4.506,24 6.17,25 4.38,26 5.307,27 5.505,28 4.507,29 4.485,30 6.405,31 4.378,32 5.291,33 5.491,34 4.499,35 4.462,36 6.452,37 4.361,38 5.22,39 5.414,40 4.485,41 4.462,42 6.354,43 4.356,44 5.23,45 5.447,46 4.357,47 4.435,48 6.345,49 4.307,50 5.178,51 5.416,52 4.306,53 4.362,54 6.135,55 4.22,56 0.097,57 0.978,58 15.401,59 6.948,60 17.074,61 8.105,62 0.61,63 1.667,64 29.124,65 12.061,66 65.414,67 14.495,68 0.48,69 2.171,70 51.223,71 17.726,72 54.813,73 20.901,74 0.852,75 2.259,76 59.034,77 19.074,78 113.648,79 20.879,80 1.138,81 2.131,82 57.134,83 18.602,84 148.763,85 20.657,86 0.863,87 2.056,88 50.49,89 17.477,90 117.442,91 20.695,92 0.822,93 2.089,94 48.299,95 17.42,96 125.769,97 21.658,98 0.546,99 1.945,100 50.142,101 17.129,102 71.015,103 21.105,104 17,105 58,106 0.272,107 0.585,108 0.773,109 0.859,110 0.864,111 0.864,112 3.642,113 1.11,114 -4.56,115 -4.49,116 -4.22,117 40.3,119 4,123 4,124 2,126 10,127 1,128 3,132 1,133 1,135 1,139 9,140 6,141 5,145 2,147 13,150 1,151 10,155 2,157 9,160 18,162 1,164 1,166 3,168 4,169 10,175 11,178 11,180 2,184 14,186 4,187 11,193 10,197 9,203 7,207 15,209 1,211 1,213 7,216 2879,217 25.048,218 25.048,219 25.048,220 25.048,221 25.048,222 22.553,223 33.148,224 14.726,225 25.875,226 20.221,227 20.221,228 20.221,229 20.221,230 20.221,231 16.437,232 49.433,233 6.982,234 21.619,235 4.333,236 2.345,237 1.145,238 0.597,239 0.567,240 0.567,241 4.346,242 1,244 1,245 1199,246 4.183,249 117.472,250 449.624,252 186.529,253 2.114,254 49.505,256 0.75,257 0.83,258 0.83,259 0.7,260 0.5,261 0.83,262 1,263 0.78,264 79.833,265 546,266 4.978,267 4.735,268 7.801,269 4.53,270 3.6,271 4.785,272 2.208,273 14.344,274 3.336,275 4.232,276 3.77,277 6.49,278 3.844,279 2.886,280 3.826,281 0.657,282 9.859,283 2.756,284 3.968,285 3.25,286 6.031,287 3.76,288 2.821,289 3.48,290 0.655,291 8.596,292 2.638,293 3.92,294 2.895,295 5.724,296 3.487,297 2.571,298 3.396,299 0.4,300 7.458,301 2.355,302 3.839,303 2.843,304 5.416,305 3.366,306 2.426,307 3.113,308 0.13,309 7.161,310 2.273,311 3.47,312 2.607,313 5.239,314 3.291,315 2.353,316 2.561,318 6.661,319 2.183,320 3.397,321 2.534,322 5.149,323 3.19,324 2.246,325 2.456,327 6.253,328 2.079,329 3.066,330 2.163,331 4.894,332 2.713,333 1.758,334 2.224,336 5.138,337 1.651,338 2.926,339 2.022,340 4.494,341 2.497,342 1.536,343 2.07,345 4.197,346 1.457,347 2.853,348 1.669,349 4.188,350 2.401,351 1.453,352 1.974,354 3.811,355 1.347,356 2.699,357 1.531,358 3.685,359 2.366,360 1.385,361 1.739,363 3.03,364 1.339,365 2.561,366 1.451,367 3.557,368 2.208,369 1.263,370 1.535,372 2.774,373 1.179,374 2.5,375 1.364,376 3.516,377 2,378 1,379 1.5,381 2.275,382 1,383 2.118,384 1.077,385 3.414,386 1.984,387 1,388 1,390 2.275,391 0.983,392 2.012,393 1,394 3.414,395 1.754,396 0.767,397 0.927,399 1.816,400 0.754,401 18.414,402 0.498,403 0.93,404 0.025,405 44.75,406 1.209,407 21,408 0.568,409 23.75,410 0.642,411 38.394,412 1.038,413 40.386,414 0.603,415 36.529,416 0.987,417 8.235,418 0.223,419 9.679,420 0.262,421 0.093,422 0.045,423 0.261,425 0.588,426 1.32,427 0.708,428 1.084,429 0.584,430 0.938,431 0.654,432 1.079,433 0.801,434 0.893,435 0.507,436 0.957,437 0.894,438 1.165,439 1.047,440 1.126,441 0.708,442 1.03,443 1.565,444 1.026,445 1.104,446 1.058,447 1.537,448 0.996,449 1.524,450 0.83,451 0.844,452 0.813,453 1.753,454 0.867,455 1.017,456 1.028,457 0.866,458 1.026,459 1.18,460 1.018,461 0.876,462 1.041,463 0.8,464 0.939,465 0.741,466 1.019,467 0.995,468 0.991,469 0.869,470 0.894,471 0.809,472 0.932,473 7.5,474 0.176,475 5.111,476 2.722,477 2.414,478 1.51,479 0.757,480 0.689,481 0.605,482 0.303,483 22838,484 64812,485 2.11,486 44.8,487 2,488 20,489 1,491 1,493 2,494 4,495 1.78,496 1.991,497 3.759,498 -0.338,500 116.084,501 1.733,502 3.722,503 4.921,504 5.469,505 5.499,506 5.499,507 3.26,508 4.594,509 5.175,510 3.996,511 2661.02,512 9.107,513 43943.1,516 406.428,517 1.444,518 5.144,519 0.183,520 0.005,521 0.088,522 0.045,523 0.042,524 0.026,525 0.013,526 0.013,527 0.013,528 0.007,529 0.436,530 0.17,531 0.75,532 0.488,533 204.99,534 0.058,535 -0.154,536 0.132,537 -0.049,538 -0.076,539 0.019,540 0.236,541 0.042,542 0.029,543 0.054,544 0.207,545 -0.03,546 -0.026,547 -0.103,548 -0.043,549 -0.099,550 0.033,551 -0.051,552 -0.215,553 -0.013,554 -0.123,555 -0.065,556 -0.131,557 -0.058,558 -0.084,559 0.126,560 0.009,561 0.119,562 -0.127,563 0.064,564 0.075,565 -0.056,566 -0.001,567 -0.087,568 0.006,569 -0.057,570 0.101,571 -0.079,572 -0.006,573 -0.045,574 0.162,575 -0.055,576 -0.055,577 -0.047,578 0.05,579 0.026,580 0.016,581 0.055,582 4.801,583 6.727,584 0.73,585 47.116,586 1.007,587 1.118,588 3.333,589 11.11,590 0.696,591 3.738,592 4.078,593 4.357,594 4.605,595 4.828,596 4.905,597 5.011,598 5.124,599 5.236,600 5.242,601 8.47,602 0.649,603 560.19,604 3.738,605 5.293,606 6.151,607 7.036,608 7.913,609 8.807,610 9.693,611 10.593,612 11.486,613 12.391,614 4.5,616 1,619 1,620 1,624 11,626 1,627 5,628 17,633 1,634 67,635 20,636 2,637 41,638 71,639 27,640 16,641 4,642 8,644 5,645 6,646 1,652 6,654 6,655 17,656 10,658 3,659 1,660 3,662 1,665 30,666 7,667 1,668 10,669 3,670 3,672 0.8,673 4,679 1,680 4,682 1,687 1,689 1,692 4,694 2,696 1,698 37,700 1,702 8,703 1,704 1,706 2,707 2,709 1,710 1,711 6,714 3,716 1,717 18.583,718 11.626,719 8.028,720 4.095,721 2.566,722 1.309,723 0.993,724 8.518,725 10.877,726 3.98,727 4.546,728 5.02,729 5.492,730 5.874,731 6.03,732 6.261,733 6.48,734 6.741,735 6.893,736 0.9,737 60,738 14.143,739 6.474,740 7.785,741 26.681,742 22.911,743 2.285,744 84.528,748 341.362,749 179.659,750 22.654,751 39.149,752 80.458,754 37.085,755 142.574,756 460.968,757 22.654,759 24.172,760 126.23,761 69.458,762 23.512,763 19.892,764 360.869,765 39.149,766 341.362,767 165.227,768 80.458,769 76.234,770 270.735,771 151.084,773 42.183,774 123.045,775 44.956,776 31.278,777 341.362,778 103.111,779 218.808,780 5.807,781 341.362,782 71.44,783 107.054,784 18.011,785 119.606,786 341.362,787 103.111,788 218.808,789 0.586,790 0.344,791 0.181,792 0.097,793 28,794 12,795 0.113,796 8,797 1,798 1.074,799 4.743,800 362.222,801 0.074,802 27,803 182.75,804 1,805 1,806 26.638,807 11.832,808 6.205,810 103.111,811 19.877,813 1.734,814 3.507,815 18.011,816 663.281,817 52.5,818 -3.884,819 40.357,821 -0.389,822 67.462,823 74.929,824 0.286,825 0.613,826 0.811,827 0.902,828 0.907,829 0.907,830 5.238,831 1.758,832 6.155,833 6.253,834 4.762,835 5.234,836 2.43,837 7.009,838 4.636,839 6.438,840 1.536,841 7.746,842 5.138,843 4.443,844 5.173,845 1.847,846 8.217,847 4.205,848 7.765,849 1.453,850 9.458,851 4.197,852 6.425,853 7.433,854 3.54,855 11.333,856 6.166,857 9.135,858 1.385,859 11.25,860 3.811,861 6.976,862 8.27,863 3.656,864 13.479,865 6.599,866 10.55,867 1.263,868 13.1,869 3.03,870 8.444,871 10.037,872 4.957,873 16.235,874 8.04,875 11.996,876 1,877 14.994,878 2.774,879 9.388,880 11.27,881 5.37,882 18.724,883 8.873,884 13.47,885 1,886 16.921,887 2.275,888 10.688,889 12.881,890 6.458,891 21.404,892 10.129,893 3.6,894 0.767,895 18.874,896 2.275,897 11.811,898 14.292,899 7.028,900 24.008,901 11.153,902 2.886,903 14.344,904 20.849,905 1.816,906 13.068,907 15.856,908 7.994,909 26.672,910 12.349,911 2.821,912 9.859,913 22.84,914 4.785,915 14.271,916 17.348,917 8.654,918 29.314,919 13.463,920 2.571,921 8.596,922 24.845,923 3.826,924 15.525,925 18.902,926 9.549,927 31.976,928 14.645,929 2.426,930 7.458,931 26.86,932 3.48,933 16.765,934 20.43,935 10.263,936 34.631,937 15.802,938 2.353,939 7.161,940 28.883,941 3.396,942 18.025,943 21.985,944 11.116,945 37.294,946 16.986,947 2.246,948 6.661,949 30.913,950 3.113,951 19.284,952 23.531,953 11.862,954 39.954,955 18.164,956 21238,957 36033,958 27.622,959 46.648,960 61.887,961 63.554,962 62.586,963 61.681,964 61.502,965 77.418,966 8.1,967 179.16,968 57.632,969 5.978,970 6.735,971 7.485,972 5.631,973 5.6,974 7.785,975 3.912,976 22.831,977 5.336,978 16.14,979 1.509,980 1.55,981 1.526,982 1.504,983 1.5,984 1.888,985 0.198,986 4.37,987 1.406,988 4.135,989 4.13,990 4.746,991 4.106,992 7.715,993 4.034,994 3.922,995 3.964,996 4.217,997 3.917,998 7.433,999 3.845,1000 3.902,1001 3.923,1002 3.932,1003 3.859,1004 6.999,1005 3.833,1006 3.812,1007 3.838,1008 3.866,1009 3.689,1010 4.929,1011 3.683,1012 3.635,1013 3.657,1014 3.76,1015 3.561,1016 4.745,1017 3.509,1018 3.524,1019 3.507,1020 3.471,1021 3.403,1022 4.681,1023 3.361,1024 3.377,1025 3.429,1026 3.29,1027 3.119,1028 4.455,1029 3.156,1030 3.178,1031 3.25,1032 3.155,1033 2.973,1034 4.306,1035 2.967,1036 0.121,1037 0.115,1038 0.19,1039 0.11,1040 0.088,1041 4.978,1042 0.117,1043 4.735,1044 0.054,1045 7.801,1046 0.35,1047 4.53,1048 0.081,1049 3.6,1050 4.785,1051 2.208,1052 14.344,1053 3.336,1054 2.02,1055 2.017,1056 2.09,1057 2.112,1058 1.411,1059 2.134,1060 1.895,1061 1.88,1062 2.035,1063 2.031,1064 1.398,1065 2.036,1066 1.835,1067 1.776,1068 1.947,1069 1.956,1070 1.135,1071 1.984,1072 1.596,1073 1.561,1074 1.792,1075 1.765,1076 0.989,1077 1.772,1078 1.559,1079 1.522,1080 1.73,1081 1.699,1082 0.958,1083 1.72,1084 1.402,1085 1.397,1086 1.529,1087 1.538,1088 0.825,1089 1.557,1090 1.364,1091 1.382,1092 1.513,1093 1.501,1094 0.739,1095 1.551,1096 1.224,1097 1.193,1098 1.479,1099 1.449,1100 0.653,1101 1.466,1102 4.419,1104 5.753,1105 2.398,1106 7.284,1107 4.443,1108 8.909,1109 6.26,1110 10.587,1112 5.991,1116 5.049,1117 3.568,1118 5.712,1120 -0.134,1121 3.14,1123 43.5,1124 116.084,1125 249.341,1126 329.699,1127 366.428,1128 368.428,1129 368.428,1130 87.924,1131 8.312,1132 78.95,1133 115.57,1134 29,1135 12.912,1136 4.392,1137 3.644,1138 56.891,1139 183,1140 216,1141 0.145,1142 273.413,1143 477.79,1144 658.887,1145 57393,1146 1.5,1147 25.83,1148 0.698,1149 0.615,1150 26.933,1151 22.773,1152 17.914,1153 0.437,1154 0.37,1155 12.556,1156 15.796,1157 12.097,1158 9.91,1159 19.445,1160 15.168,1161 16.413,1162 0.283,1163 0.218,1164 18.713,1165 12.658,1166 13.919,1167 0.181,1168 0.13,1169 16.168,1170 9.984,1171 11.313,1172 0.114,1173 0.075,1174 13.408,1175 7.438,1176 8.972,1177 0.072,1178 0.044,1179 10.753,1180 5.43,1181 0.232,1182 127.079,1183 0.19,1184 34.043,1185 0.387,1186 198,1187 576.489,1188 293.302,1189 621.289,1190 831.07,1191 576,1192 234,1193 537.669,1194 329.62,1195 601.993,1196 885.08,1197 566,1198 5.351} {0 CHEMBL582857,1 1.749,2 10.93,3 3.242,4 10.513,5 159.336,6 8.402,7 0.383,8 4.432,9 4.517,10 4.188,11 3.96,12 5.564,13 3.946,14 5.004,15 5.149,16 4.576,17 4.38,18 6.219,19 4.364,20 5.238,21 5.362,22 4.828,23 4.621,24 6.461,25 4.594,26 5.467,27 5.603,28 4.983,29 4.773,30 6.83,31 4.756,32 5.62,33 5.761,34 5.119,35 4.921,36 6.943,37 4.899,38 5.771,39 5.921,40 5.209,41 5.024,42 7.118,43 4.973,44 5.818,45 5.983,46 5.164,47 5.015,48 7.133,49 4.948,50 5.776,51 5.971,52 4.924,53 4.878,54 7.13,55 4.789,56 0.216,57 1.069,58 15.891,59 7.429,60 27.21,61 8.279,62 0.905,63 1.747,64 31.207,65 11.999,66 83.812,67 13.822,68 0.896,69 2.202,70 41.883,71 16.554,72 85.469,73 18.177,74 1.561,75 2.675,76 53.531,77 19.735,78 204.48,79 22.1,80 1.636,81 3.127,82 63.27,83 22.83,84 176.157,85 25.395,86 2.265,87 3.438,88 79.775,89 27.942,90 272.807,91 30.857,92 2.397,93 3.447,94 93.384,95 30.079,96 282.25,97 34.025,98 2.581,99 3.175,100 89.895,101 27.594,102 358.916,103 32.694,104 139,105 72,106 0.268,107 0.581,108 0.749,109 0.831,110 0.848,111 0.878,112 3.789,113 0.968,114 -2.33,115 -2.36,116 -2.32,117 40,119 1,122 5,123 1,124 2,125 1,126 10,127 2,128 6,134 2,139 7,140 5,141 10,145 1,147 10,150 4,151 16,153 1,157 9,159 7,160 20,166 6,168 4,169 23,171 2,173 2,175 10,177 8,178 16,180 2,182 2,184 15,186 5,187 21,189 1,191 3,193 15,196 5,197 12,199 2,201 3,203 8,206 2,207 11,211 1,213 9,216 3778,217 28.431,218 28.431,219 28.431,220 28.431,221 28.431,222 25.843,223 35.72,224 15.943,225 29.471,226 22.893,227 22.893,228 22.893,229 22.893,230 22.893,231 18.608,232 43.16,233 7.173,234 24.337,235 4.479,236 2.439,237 1.344,238 0.811,239 0.694,240 0.504,241 4.479,242 1,245 995,246 4.95,249 199.237,250 373.129,251 170.668,253 1.48,254 85.905,256 0.5,257 0.67,258 0.67,259 0.8,260 0.5,261 0.67,262 1,263 0.69,264 95.833,265 470,266 5.128,267 4.786,268 8.57,269 4.911,270 3.94,271 4.847,272 2.342,273 17.75,274 3.827,275 4.861,276 4.461,277 7.795,278 4.442,279 3.514,280 4.367,281 1.987,282 14.289,283 3.234,284 4.186,285 3.829,286 6.639,287 3.971,288 3.002,289 3.778,290 1.185,291 10.37,292 2.904,293 4.128,294 3.249,295 6.47,296 3.753,297 2.794,298 3.621,299 0.86,300 9.681,301 2.67,302 4.023,303 3.007,304 6.082,305 3.561,306 2.609,307 3.362,308 0.86,309 8.361,310 2.48,311 3.793,312 2.942,313 5.946,314 3.423,315 2.476,316 3.138,317 0.86,318 7.819,319 2.337,320 3.533,321 2.922,322 5.609,323 3.273,324 2.332,325 2.748,326 0.652,327 6.857,328 2.19,329 3.402,330 2.654,331 5.458,332 3.098,333 2.177,334 2.62,335 0.475,336 6.605,337 1.987,338 3.316,339 2.6,340 5.119,341 2.888,342 1.981,343 2.451,344 0.086,345 5.861,346 1.762,347 3.141,348 2.465,349 4.954,350 2.718,351 1.751,352 2.257,354 5.38,355 1.62,356 2.917,357 2.095,358 4.819,359 2.598,360 1.667,361 2.086,363 4.801,364 1.543,365 2.779,366 1.932,367 4.588,368 2.464,369 1.502,370 1.879,372 3.762,373 1.438,374 2.743,375 1.776,376 4.463,377 2.299,378 1.311,379 1.844,381 3.481,382 1.292,383 2.732,384 1.595,385 4.339,386 2.277,387 1.287,388 1.748,390 3.452,391 1.267,392 2.424,393 1.397,394 3.775,395 2.168,396 1.203,397 1.389,399 2.999,400 1.154,401 20.414,402 0.475,403 1.42,404 0.033,405 54.5,406 1.267,407 26,408 0.605,409 28.5,410 0.663,411 48.715,412 1.133,413 47.986,414 0.64,415 61.355,416 1.427,417 10.951,418 0.255,419 9.474,420 0.22,421 0.239,422 0.065,423 0.353,425 0.704,426 1.477,427 0.698,428 1.237,429 0.669,430 0.982,431 0.947,432 0.904,433 0.7,434 0.683,435 0.66,436 0.675,437 0.968,438 1.147,439 0.916,440 1.083,441 1.001,442 0.941,443 1.011,444 1.128,445 0.864,446 0.979,447 1.181,448 0.868,449 1.061,450 1.112,451 0.935,452 1.042,453 1.256,454 0.928,455 1.07,456 1.034,457 0.956,458 1.022,459 1.198,460 0.995,461 1.073,462 1.107,463 1.199,464 1.192,465 1.265,466 1.085,467 1.108,468 0.964,469 1.177,470 1.038,471 1.236,472 1.076,473 11,474 0.384,475 7.111,476 6.111,477 4.884,478 3.873,479 2.729,480 1.866,481 1.06,482 0.529,483 22413,484 72116,485 1.993,486 42.7,488 29,491 1,494 2,495 1.832,496 1.792,497 3.282,498 -0.323,500 131.2,501 1.749,502 3.79,503 4.885,504 5.418,505 5.535,506 5.725,507 2.805,508 5.287,509 5.395,510 3.469,511 3132.91,512 9.641,513 50550,516 467.161,517 1.769,518 5.306,519 0.234,520 0.009,521 0.099,522 0.069,523 0.047,524 0.033,525 0.023,526 0.017,527 0.012,528 0.008,529 0.551,530 0.33,531 0.63,532 1.074,533 235.407,534 -0.007,535 -0.264,536 0.125,537 -0.125,538 -0.107,539 -0.017,540 -0.013,541 0.236,542 0.132,543 0.284,544 0.068,545 0.25,546 -0.044,547 -0.011,548 0.034,549 -0.016,550 -0.062,551 0.011,552 0.037,553 -0.029,554 0.044,555 0.044,556 0.045,557 0.067,558 -0.045,559 0.01,560 -0.01,561 -0.018,562 -0.045,563 0.004,564 0.011,565 0.017,566 0.016,567 0.008,568 0.019,569 -0.043,570 0.005,571 -0.11,572 -0.062,573 -0.126,574 -0.044,575 -0.097,576 -0.012,577 -0.013,578 -0.104,579 -0.063,580 0.037,581 -0.096,582 5.559,583 8.173,584 0.605,585 41.246,586 1.021,587 1.123,588 1.097,589 1.203,590 0.674,591 3.871,592 4.29,593 4.682,594 5.075,595 5.412,596 5.663,597 5.878,598 6.019,599 6.116,600 6.168,601 6.445,602 0.649,603 630.17,604 3.871,605 5.476,606 6.392,607 7.349,608 8.302,609 9.276,610 10.246,611 11.229,612 12.208,613 13.197,614 4,617 1,620 2,624 10,627 8,628 18,632 3,633 1,634 75,635 22,636 3,637 47,638 79,639 30,640 18,641 8,642 10,644 5,645 6,646 1,652 3,653 1,654 3,655 20,656 10,657 1,658 4,659 1,660 4,662 2,665 32,666 11,667 1,668 13,669 2,670 3,672 0.8,673 8,674 1,676 1,679 2,680 3,681 1,685 1,688 1,690 1,692 4,694 1,695 5,696 1,698 43,700 1,701 1,702 2,704 3,706 2,707 3,708 1,710 1,711 10.7,712 1,714 4,716 3,717 24,718 15.026,719 9.472,720 4.055,721 2.818,722 1.329,723 0.936,724 8.636,725 11.392,726 4.111,727 4.741,728 5.324,729 5.93,730 6.472,731 6.823,732 7.23,733 7.549,734 7.84,735 8.152,736 1,737 88,738 16.847,739 8.237,740 8.037,741 29.795,742 25.147,743 2.537,744 109.111,748 364.904,749 193.971,750 7.767,751 39.149,752 170.286,754 5.807,755 188.163,756 574.339,757 7.767,758 49.442,759 9.283,760 143.253,761 104.012,762 66.033,764 364.904,765 39.149,766 364.904,767 195.931,768 170.286,769 44.956,770 341.362,771 151.145,772 42.683,773 12.407,774 183.523,775 44.956,777 364.904,778 178.053,779 233.12,780 5.807,781 364.904,782 43.959,783 151.972,785 209.434,786 364.904,787 178.053,788 233.12,789 0.595,790 0.376,791 0.218,792 0.133,793 36,794 19,795 0.101,796 8,797 1,798 1.077,799 4.37,800 519.92,801 0.077,802 26,803 225.329,805 1,806 31.413,807 11.821,808 4.932,810 178.053,811 15.321,814 1.11,815 42.683,816 776.077,817 60,818 -4.643,819 57.783,821 -1.252,822 76.578,823 84.262,824 0.281,825 0.608,826 0.784,827 0.87,828 0.889,829 0.919,830 5.423,831 2.177,832 6.463,833 6.857,834 4.977,835 5.429,836 3.182,837 7.476,838 4.87,839 6.681,840 1.981,841 8.159,842 6.605,843 4.934,844 5.557,845 2.696,846 9.021,847 4.762,848 8.061,849 1.751,850 9.977,851 5.861,852 6.799,853 7.711,854 4.165,855 12.258,856 6.604,857 9.485,858 1.667,859 11.875,860 5.38,861 7.591,862 8.645,863 4.468,864 14.699,865 7.343,866 10.951,867 1.502,868 13.829,869 4.801,870 9.035,871 10.374,872 5.557,873 17.617,874 8.763,875 12.447,876 1.311,877 15.824,878 3.762,879 10.164,880 11.649,881 6.159,882 20.348,883 9.85,884 13.967,885 1.287,886 17.85,887 3.481,888 11.505,889 13.247,890 7.102,891 23.207,892 11.165,893 3.94,894 1.203,895 19.901,896 3.452,897 12.764,898 14.671,899 7.829,900 26.027,901 12.391,902 3.514,903 17.75,904 21.97,905 2.999,906 14.091,907 16.23,908 8.711,909 28.882,910 13.692,911 3.002,912 14.289,913 24.054,914 4.847,915 15.401,916 17.723,917 9.496,918 31.731,919 14.974,920 2.794,921 10.37,922 26.149,923 4.367,924 16.735,925 19.274,926 10.352,927 34.591,928 16.282,929 2.609,930 9.681,931 28.253,932 3.778,933 18.068,934 20.801,935 11.166,936 37.452,937 17.59,938 2.476,939 8.361,940 30.364,941 3.621,942 19.41,943 22.353,944 12.013,945 40.317,946 18.908,947 2.332,948 7.819,949 32.481,950 3.362,951 20.755,952 23.897,953 12.842,954 43.184,955 20.228,956 22031,957 39691,958 29.649,959 50.58,960 73.221,961 76.579,962 79.423,963 72.763,964 72.553,965 90.685,966 18.614,967 234.147,968 68.414,969 6.116,970 6.786,971 8.26,972 5.993,973 5.94,974 7.847,975 3.915,976 26.85,977 5.827,978 28.821,979 1.558,980 1.629,981 1.69,982 1.548,983 1.544,984 1.929,985 0.396,986 4.982,987 1.456,988 4.178,989 4.177,990 4.75,991 4.128,992 7.716,993 4.084,994 3.985,995 3.983,996 4.071,997 3.933,998 7.428,999 3.904,1000 3.839,1001 3.876,1002 3.868,1003 3.765,1004 7.424,1005 3.761,1006 3.827,1007 3.85,1008 3.756,1009 3.682,1010 6.999,1011 3.692,1012 3.628,1013 3.63,1014 3.75,1015 3.536,1016 6.449,1017 3.478,1018 3.55,1019 3.598,1020 3.491,1021 3.298,1022 4.949,1023 3.316,1024 3.322,1025 3.352,1026 3.394,1027 3.177,1028 4.894,1029 3.177,1030 3.273,1031 3.315,1032 3.122,1033 2.982,1034 4.841,1035 2.996,1036 0.109,1037 0.102,1038 0.182,1039 0.104,1040 0.084,1041 5.128,1042 0.103,1043 4.786,1044 0.05,1045 8.57,1046 0.378,1047 4.911,1048 0.081,1049 3.94,1050 4.847,1051 2.342,1052 17.75,1053 3.827,1054 1.964,1055 1.974,1056 2.031,1057 2.04,1058 1.262,1059 2.059,1060 1.945,1061 1.937,1062 1.951,1063 2.035,1064 1.182,1065 2.036,1066 1.814,1067 1.794,1068 1.903,1069 1.899,1070 1.169,1071 1.905,1072 1.661,1073 1.615,1074 1.854,1075 1.887,1076 1.016,1077 1.877,1078 1.544,1079 1.532,1080 1.757,1081 1.755,1082 0.961,1083 1.755,1084 1.467,1085 1.441,1086 1.632,1087 1.685,1088 0.801,1089 1.694,1090 1.355,1091 1.299,1092 1.588,1093 1.584,1094 0.653,1095 1.601,1096 1.213,1097 1.146,1098 1.573,1099 1.538,1100 0.58,1101 1.552,1102 4.554,1104 5.948,1105 3.045,1106 7.556,1107 5.587,1108 9.271,1109 7.874,1110 11.049,1111 7.34,1112 6.517,1115 10.918,1116 -0.087,1118 16.346,1120 -1.966,1121 3.661,1122 -1.937,1123 48.699,1124 131.2,1125 284.22,1126 366.393,1127 406.367,1128 415.122,1129 429.387,1130 154.388,1131 8.575,1132 125.92,1133 134.3,1134 28,1135 13.664,1136 4.524,1137 3.807,1138 70.293,1139 156,1140 228,1141 0.215,1142 301.189,1143 541.06,1144 726.661,1145 55907,1146 1.3,1147 31.267,1148 0.727,1149 0.601,1150 32.017,1151 25.848,1152 20.424,1153 0.435,1154 0.323,1155 13.216,1156 18.334,1157 12.622,1158 10.45,1159 21.502,1160 15.161,1161 19.196,1162 0.267,1163 0.176,1164 20.867,1165 12.645,1166 16.897,1167 0.158,1168 0.092,1169 18.488,1170 9.854,1171 14.873,1172 0.094,1173 0.049,1174 16.601,1175 7.798,1176 12.737,1177 0.057,1178 0.027,1179 14.396,1180 5.928,1181 0.317,1182 141.423,1183 0.184,1184 35.982,1185 0.665,1186 238,1187 796.298,1188 320.792,1189 793.362,1190 1057.48,1191 734,1192 298,1193 711.768,1194 391.384,1195 766.583,1196 1142.67,1197 713,1198 9} {0 CHEMBL583081,1 1.687,2 15.317,3 4.558,4 20.776,5 164.542,6 7.947,7 0.378,8 4.452,9 4.545,10 4.285,11 4.046,12 5.411,13 3.971,14 5.058,15 5.213,16 4.581,17 4.463,18 6.245,19 4.367,20 5.337,21 5.526,22 4.693,23 4.649,24 6.317,25 4.523,26 5.489,27 5.675,28 4.732,29 4.715,30 6.629,31 4.587,32 5.559,33 5.772,34 4.722,35 4.737,36 6.642,37 4.597,38 5.531,39 5.731,40 4.741,41 4.715,42 6.63,43 4.586,44 5.479,45 5.674,46 4.676,47 4.701,48 6.717,49 4.569,50 5.519,51 5.752,52 4.604,53 4.658,54 6.508,55 4.502,56 0.154,57 1.17,58 22.25,59 8.706,60 27.112,61 10.026,62 0.741,63 1.956,64 39.67,65 14.96,66 96.416,67 17.494,68 0.604,69 2.532,70 62.587,71 20.928,72 72.953,73 23.875,74 1.207,75 2.77,76 71.662,77 23.55,78 151.22,79 26.556,80 1.141,81 2.853,82 81.875,83 26.114,84 167.951,85 29.538,86 1.473,87 2.754,88 75.458,89 24.073,90 191.177,91 27.568,92 1.167,93 2.711,94 67.136,95 23.217,96 207.196,97 27.563,98 0.915,99 2.722,100 74.367,101 24.271,102 124.287,103 28.659,104 41,105 65,106 0.257,107 0.548,108 0.766,109 0.853,110 0.861,111 0.873,112 3.742,113 1.182,114 -3.47,115 -3.45,116 -3.29,117 37.2,119 5,122 2,123 4,124 2,126 9,127 1,128 4,132 1,133 1,139 8,140 6,141 9,145 2,147 11,151 11,155 2,157 7,159 4,160 20,162 1,164 1,166 5,168 3,169 9,175 13,177 3,178 9,180 2,184 14,186 6,187 13,191 1,193 9,197 15,203 4,206 3,207 20,209 1,211 1,213 4,216 3772,217 27.606,218 27.606,219 27.606,220 27.606,221 27.606,222 24.978,223 39.917,224 15.98,225 28.62,226 22.059,227 22.059,228 22.059,229 22.059,230 22.059,231 17.837,232 62.585,233 7.369,234 23.527,235 4.598,236 2.692,237 1.257,238 0.686,239 0.635,240 0.558,241 4.44,244 1,245 1362,246 4.796,249 130.645,250 503.036,252 208.133,253 2.194,254 64.274,256 0.75,257 0.5,258 0.67,259 0.9,260 0.5,261 0.5,262 0.5,263 0.62,264 89.5,265 628,266 5.004,267 4.758,268 7.843,269 4.555,270 3.626,271 4.821,272 0.86,273 14.542,274 3.353,275 4.792,276 4.513,277 7.293,278 4.305,279 3.375,280 4.555,281 0.86,282 12.407,283 3.118,284 4.271,285 3.267,286 6.592,287 3.906,288 2.948,289 3.858,290 0.657,291 10.237,292 2.813,293 4.011,294 2.916,295 5.918,296 3.554,297 2.603,298 3.602,299 0.4,300 8.15,301 2.491,302 3.927,303 2.851,304 5.541,305 3.535,306 2.591,307 3.48,308 0.4,309 7.238,310 2.438,311 3.516,312 2.637,313 5.438,314 3.355,315 2.42,316 2.709,318 7.127,319 2.231,320 3.473,321 2.567,322 5.277,323 3.25,324 2.285,325 2.53,327 6.775,328 2.196,329 3.327,330 2.438,331 5.159,332 2.981,333 2.051,334 2.446,336 6.082,337 1.896,338 2.948,339 2.217,340 4.835,341 2.631,342 1.692,343 2.091,345 4.987,346 1.606,347 2.865,348 1.93,349 4.72,350 2.605,351 1.655,352 1.984,354 4.716,355 1.538,356 2.809,357 1.538,358 4.28,359 2.423,360 1.432,361 1.874,363 3.492,364 1.415,365 2.773,366 1.456,367 3.7,368 2.281,369 1.305,370 1.828,372 3.039,373 1.269,374 2.619,375 1.428,376 3.571,377 2.225,378 1.278,379 1.644,381 2.783,382 1.198,383 2.118,384 1.087,385 3.533,386 1.984,387 1,388 1,390 2.275,391 0.983,392 2.016,393 1.077,394 3.414,395 1.794,396 0.8,397 0.928,399 1.856,400 0.794,401 20.2,402 0.493,403 1.12,404 0.027,405 49.5,406 1.207,407 23.5,408 0.573,409 26,410 0.634,411 46.043,412 1.123,413 46.4,414 0.595,415 44.061,416 1.075,417 8.914,418 0.217,419 10.81,420 0.264,421 0.116,422 0.083,423 0.238,425 0.569,426 1.412,427 0.824,428 1.266,429 0.633,430 1.03,431 0.841,432 1.062,433 0.924,434 0.925,435 0.566,436 0.931,437 1.004,438 1.175,439 1.188,440 1.181,441 0.885,442 1.022,443 1.214,444 1.085,445 1.224,446 1.139,447 1.428,448 1.08,449 1.232,450 0.956,451 1.076,452 1.017,453 1.571,454 0.965,455 1.285,456 0.934,457 1.052,458 0.972,459 1.541,460 0.966,461 0.93,462 1.124,463 1.054,464 1.099,465 0.876,466 1.1,467 1.113,468 0.988,469 0.918,470 0.933,471 1.065,472 0.977,473 9.5,474 0.278,475 6,476 3.66,477 3.045,478 2.087,479 1.209,480 0.939,481 0.843,482 0.483,483 28102,484 77353,485 2.064,486 47.4,487 2,488 25,489 1,491 1,493 2,494 6,495 1.808,496 1.922,497 3.798,498 -0.327,500 131.611,501 1.687,502 3.594,503 5.028,504 5.599,505 5.651,506 5.728,507 3.343,508 4.967,509 5.321,510 4.032,511 3306.45,512 9.417,513 57530.1,516 490.261,517 1.583,518 5.275,519 0.211,520 0.006,521 0.092,522 0.052,523 0.043,524 0.03,525 0.018,526 0.014,527 0.014,528 0.008,529 0.488,530 0.33,531 0.5,532 0.749,533 232.577,534 0.112,535 -0.189,536 0.231,537 -0.087,538 -0.112,539 0.016,540 0.145,541 0.068,542 0.045,543 0.089,544 0.234,545 0.039,546 -0.091,547 -0.071,548 -0.06,549 -0.075,550 -0.02,551 -0.02,552 -0.025,553 -0.037,554 -0.138,555 -0.091,556 -0.054,557 -0.111,558 -0.091,559 0.021,560 -0.026,561 0.001,562 -0.121,563 0.017,564 -0.034,565 0.048,566 -0.025,567 0.026,568 -0.143,569 -0.001,570 0.111,571 -0.115,572 -0.081,573 -0.112,574 0.236,575 -0.121,576 -0.096,577 -0.033,578 0.03,579 0.007,580 -0.047,581 -0.002,582 4.997,583 7.188,584 0.659,585 54.488,586 1.007,587 1.123,588 2.238,589 5.009,590 0.675,591 3.829,592 4.19,593 4.477,594 4.736,595 4.956,596 5.063,597 5.204,598 5.278,599 5.421,600 5.442,601 8.671,602 0.627,603 619.9,604 3.829,605 5.398,606 6.263,607 7.165,608 8.05,609 8.959,610 9.854,611 10.768,612 11.669,613 12.586,614 3.8,616 1,617 1,619 1,624 10,626 1,627 6,628 17,632 2,634 78,635 21,636 2,637 45,638 82,639 29,640 16,641 5,642 7,644 5,645 6,652 6,654 7,655 16,656 13,658 4,659 2,660 4,665 37,666 9,667 1,668 12,669 3,670 3,672 0.8,673 6,679 1,680 4,682 1,687 1,692 4,694 3,695 2,698 41,700 2,702 9,703 1,704 2,706 2,707 2,709 1,711 7.7,714 4,716 2,717 21.333,718 14.15,719 8.986,720 4.633,721 2.693,722 1.315,723 0.983,724 9.737,725 11.236,726 4.069,727 4.675,728 5.132,729 5.62,730 5.997,731 6.194,732 6.479,733 6.648,734 6.935,735 7.111,736 1,737 70,738 15.971,739 7.529,740 7.825,741 29.668,742 25.569,743 2.325,744 95.333,748 423.76,749 196.822,750 21.048,752 110.626,754 42.893,755 153.929,756 534.385,757 21.048,758 21.766,759 19.889,760 122.561,761 88.626,762 43.017,763 13.13,764 443.266,766 423.76,767 174.977,768 110.626,769 42.893,770 329.591,771 204.794,773 39.419,774 135.558,775 11.615,776 31.278,777 423.76,778 131.674,779 196.822,780 11.615,781 423.76,782 70.505,783 117.739,784 18.011,785 110.626,786 423.76,787 131.674,788 196.822,789 0.588,790 0.352,791 0.187,792 0.1,793 31,794 14,795 0.134,796 11,797 1,798 1.074,799 4.882,800 425.252,801 0.074,802 27,803 211.66,804 1,805 2,806 30.458,807 13.107,808 6.816,810 131.674,811 18.195,813 1.708,814 3.432,815 18.011,816 752.255,817 57.5,818 -7.632,819 55.231,822 78.52,823 87.57,824 0.268,825 0.572,826 0.8,827 0.891,828 0.899,829 0.911,830 5.344,831 2.051,832 6.297,833 6.775,834 4.875,835 5.364,836 1.698,837 7.198,838 4.754,839 6.576,840 1.692,841 7.923,842 6.082,843 4.691,844 5.521,846 8.552,847 4.479,848 7.942,849 1.655,850 9.671,851 4.987,852 6.611,853 7.678,854 1.298,855 11.64,856 6.357,857 9.355,858 1.432,859 11.5,860 4.716,861 7.273,862 8.682,864 13.842,865 6.91,866 10.81,867 1.305,868 13.382,869 3.492,870 8.712,871 10.395,872 1.028,873 16.585,874 8.307,875 12.294,876 1.278,877 15.301,878 3.039,879 9.725,880 11.723,882 19.078,883 9.212,884 13.801,885 1,886 17.248,887 2.783,888 11.019,889 13.31,890 0.819,891 21.745,892 10.449,893 3.626,894 0.8,895 19.216,896 2.275,897 12.176,898 14.763,900 24.338,901 11.508,902 3.375,903 14.542,904 21.2,905 1.856,906 13.433,907 16.316,908 0.65,909 26.992,910 12.696,911 2.948,912 12.407,913 23.195,914 4.821,915 14.65,916 17.822,918 29.624,919 13.822,920 2.603,921 10.237,922 25.201,923 4.555,924 15.903,925 19.368,926 0.511,927 32.279,928 14.999,929 2.591,930 8.15,931 27.214,932 3.858,933 17.146,934 20.899,936 34.929,937 16.156,938 2.42,939 7.238,940 29.234,941 3.602,942 18.403,943 22.446,944 0.399,945 37.589,946 17.334,947 2.285,948 7.127,949 31.258,950 3.48,951 19.659,952 23.988,954 40.248,955 18.508,956 26484,957 44191,958 29.701,959 52.631,960 67.463,961 69.892,962 69.493,963 67.555,964 67.653,965 85.41,966 6.355,967 203.017,968 63.581,969 6.004,970 6.758,971 7.526,972 5.643,973 5.626,974 7.821,975 1.72,976 23.232,977 5.353,978 21.065,979 1.499,980 1.553,981 1.544,982 1.501,983 1.503,984 1.898,985 0.141,986 4.511,987 1.413,988 4.155,989 4.15,990 4.756,991 4.117,992 7.718,993 4.046,994 4.027,995 4.021,996 4.719,997 3.986,998 7.711,999 3.883,1000 3.911,1001 3.929,1002 4.216,1003 3.909,1004 6.999,1005 3.839,1006 3.873,1007 3.881,1008 3.872,1009 3.851,1010 6.999,1011 3.811,1012 3.706,1013 3.74,1014 3.741,1015 3.602,1016 4.904,1017 3.573,1018 3.63,1019 3.615,1020 3.644,1021 3.536,1022 4.739,1023 3.475,1024 3.481,1025 3.5,1026 3.405,1027 3.373,1028 4.681,1029 3.327,1030 3.284,1031 3.339,1032 3.123,1033 3.017,1034 4.573,1035 3.009,1036 0.111,1037 0.106,1038 0.174,1039 0.101,1040 0.081,1041 5.004,1042 0.107,1043 4.758,1044 0.019,1045 7.843,1046 0.323,1047 4.555,1048 0.075,1049 3.626,1050 4.821,1051 0.86,1052 14.542,1053 3.353,1054 2.025,1055 2.022,1056 2.098,1057 2.121,1058 1.471,1059 2.148,1060 1.902,1061 1.896,1062 2.029,1063 2.05,1064 1.405,1065 2.078,1066 1.884,1067 1.866,1068 1.944,1069 1.981,1070 1.176,1071 1.991,1072 1.705,1073 1.673,1074 1.847,1075 1.839,1076 1.136,1077 1.881,1078 1.565,1079 1.534,1080 1.728,1081 1.707,1082 0.963,1083 1.731,1084 1.483,1085 1.479,1086 1.613,1087 1.621,1088 0.897,1089 1.659,1090 1.394,1091 1.391,1092 1.589,1093 1.578,1094 0.825,1095 1.606,1096 1.377,1097 1.373,1098 1.546,1099 1.526,1100 0.691,1101 1.548,1102 4.511,1104 5.861,1105 2.398,1106 7.413,1107 4.443,1108 9.058,1109 6.26,1110 10.757,1111 2.924,1116 4.503,1117 3.541,1118 10.69,1120 -0.236,1121 2.977,1123 48.87,1124 131.611,1125 280.301,1126 392.222,1127 436.752,1128 440.752,1129 446.752,1130 119.269,1131 8.543,1132 105.25,1133 150.25,1134 29,1135 13.1,1136 4.459,1137 3.755,1138 66.353,1139 206,1140 258,1141 0.151,1142 306.315,1143 535.91,1144 739.169,1145 75256,1147 29.037,1148 0.708,1149 0.63,1150 29.891,1151 25.81,1152 19.724,1153 0.438,1154 0.394,1155 13.941,1156 16.917,1157 13.264,1158 10.92,1159 21.788,1160 17.735,1161 18.228,1162 0.28,1163 0.235,1164 21.424,1165 15.281,1166 15.422,1167 0.177,1168 0.145,1169 18.471,1170 12.602,1171 12.682,1172 0.112,1173 0.087,1174 15.622,1175 9.805,1176 9.999,1177 0.071,1178 0.053,1179 12.449,1180 7.454,1181 0.239,1182 144.697,1183 0.183,1184 36.68,1185 0.408,1186 220,1187 660.618,1188 340.305,1189 684.004,1190 921.64,1191 632,1192 262,1193 598.337,1194 397.703,1195 688.121,1196 1005.19,1197 643,1198 7.638} {0 CHEMBL583082,1 1.687,2 15.317,3 4.267,4 18.205,5 164.664,6 7.947,7 0.378,8 4.452,9 4.545,10 4.285,11 4.046,12 5.41,13 3.971,14 5.058,15 5.213,16 4.566,17 4.458,18 6.245,19 4.365,20 5.336,21 5.526,22 4.687,23 4.647,24 6.32,25 4.524,26 5.501,27 5.691,28 4.736,29 4.718,30 6.634,31 4.589,32 5.555,33 5.767,34 4.707,35 4.731,36 6.639,37 4.595,38 5.534,39 5.736,40 4.738,41 4.712,42 6.633,43 4.587,44 5.491,45 5.689,46 4.689,47 4.713,48 6.72,49 4.574,50 5.517,51 5.748,52 4.584,53 4.656,54 6.505,55 4.5,56 0.154,57 1.17,58 22.25,59 8.706,60 27.066,61 10.026,62 0.744,63 1.953,64 40.07,65 14.94,66 96.187,67 17.492,68 0.579,69 2.512,70 59.276,71 20.544,72 73.244,73 23.72,74 1.242,75 2.806,76 74.003,77 23.741,78 152.909,79 26.886,80 1.127,81 2.832,82 80.881,83 25.898,84 167.164,85 29.424,86 1.461,87 2.744,88 72.759,89 23.597,90 191.546,91 27.5,92 1.171,93 2.739,94 68.424,95 23.865,96 208.637,97 28.073,98 0.945,99 2.74,100 75.615,101 24.258,102 123.839,103 28.627,104 41,105 65,106 0.257,107 0.549,108 0.771,109 0.853,110 0.861,111 0.873,112 3.742,113 1.186,114 -3.47,115 -3.45,116 -3.29,117 37.2,119 5,122 2,123 4,124 2,126 8,127 2,128 4,132 2,139 8,140 6,141 9,145 3,147 11,151 11,155 1,157 7,159 4,160 20,162 1,164 1,166 7,168 3,169 9,175 11,177 3,178 10,180 2,184 14,186 6,187 12,191 1,193 9,197 17,203 4,206 3,207 18,209 1,211 1,213 5,216 3772,217 27.606,218 27.606,219 27.606,220 27.606,221 27.606,222 24.978,223 39.917,224 15.98,225 28.616,226 22.059,227 22.059,228 22.059,229 22.059,230 22.059,231 17.837,232 62.585,233 7.369,234 23.484,235 4.598,236 2.685,237 1.224,238 0.686,239 0.635,240 0.558,241 4.44,244 1,245 1362,246 4.796,249 130.645,250 503.036,252 208.133,253 2.194,254 64.437,256 0.75,257 0.5,258 0.67,259 0.9,260 0.5,261 0.5,262 0.5,263 0.62,264 89.5,265 628,266 5.004,267 4.758,268 7.843,269 4.555,270 3.626,271 4.821,272 0.86,273 14.542,274 3.353,275 4.792,276 4.513,277 7.293,278 4.305,279 3.375,280 4.555,281 0.86,282 12.407,283 3.118,284 4.271,285 3.267,286 6.592,287 3.906,288 2.948,289 3.858,290 0.657,291 10.237,292 2.813,293 4.011,294 2.916,295 5.918,296 3.564,297 2.603,298 3.602,299 0.4,300 8.15,301 2.498,302 3.927,303 2.851,304 5.541,305 3.553,306 2.591,307 3.48,308 0.4,309 7.238,310 2.489,311 3.516,312 2.637,313 5.438,314 3.383,315 2.42,316 2.709,318 7.127,319 2.327,320 3.473,321 2.567,322 5.277,323 3.251,324 2.285,325 2.53,327 6.775,328 2.2,329 3.327,330 2.438,331 5.159,332 2.981,333 2.051,334 2.446,336 6.082,337 1.896,338 2.948,339 2.217,340 4.835,341 2.631,342 1.692,343 2.091,345 4.987,346 1.606,347 2.865,348 1.93,349 4.72,350 2.602,351 1.655,352 1.984,354 4.716,355 1.534,356 2.809,357 1.538,358 4.28,359 2.422,360 1.432,361 1.874,363 3.492,364 1.414,365 2.773,366 1.456,367 3.7,368 2.281,369 1.305,370 1.828,372 3.039,373 1.269,374 2.619,375 1.428,376 3.571,377 2.13,378 1.278,379 1.644,381 2.783,382 1.068,383 2.118,384 1.087,385 3.533,386 1.984,387 1,388 1,390 2.275,391 0.983,392 2.016,393 1.077,394 3.414,395 1.793,396 0.8,397 0.928,399 1.856,400 0.793,401 20.2,402 0.493,403 1.12,404 0.027,405 49.5,406 1.207,407 23.5,408 0.573,409 26,410 0.634,411 45.88,412 1.119,413 46.4,414 0.595,415 44.224,416 1.079,417 8.899,418 0.217,419 10.825,420 0.264,421 0.116,422 0.083,423 0.238,425 0.569,426 1.412,427 0.824,428 1.266,429 0.634,430 1.03,431 0.844,432 1.071,433 0.949,434 0.947,435 0.565,436 0.938,437 1,438 1.151,439 1.09,440 1.105,441 0.886,442 1.013,443 1.205,444 1.08,445 1.238,446 1.149,447 1.412,448 1.068,449 1.228,450 0.965,451 1.065,452 1.02,453 1.575,454 0.973,455 1.272,456 0.918,457 0.964,458 0.913,459 1.537,460 0.956,461 0.924,462 1.103,463 1.058,464 1.084,465 0.865,466 1.085,467 1.133,468 1.015,469 1.062,470 1.029,471 1.069,472 0.99,473 9.5,474 0.278,475 6,476 3.66,477 3.045,478 2.087,479 1.209,480 0.939,481 0.843,482 0.483,483 28102,484 77743,485 2.064,486 47.4,487 2,488 24,489 2,491 1,493 2,494 6,495 1.808,496 1.922,497 3.798,498 -0.327,500 131.611,501 1.687,502 3.6,503 5.061,504 5.599,505 5.651,506 5.728,507 3.343,508 4.967,509 5.321,510 4.032,511 3306.45,512 9.417,513 57530.1,516 490.261,517 1.583,518 5.275,519 0.211,520 0.006,521 0.092,522 0.052,523 0.043,524 0.03,525 0.018,526 0.014,527 0.014,528 0.008,529 0.488,530 0.33,531 0.5,532 0.749,533 232.577,534 0.112,535 -0.189,536 0.231,537 -0.087,538 -0.112,539 0.016,540 0.142,541 0.059,542 0.019,543 0.066,544 0.236,545 0.032,546 -0.091,547 -0.06,548 -0.034,549 -0.049,550 -0.022,551 -0.021,552 -0.021,553 -0.031,554 -0.134,555 -0.092,556 -0.052,557 -0.097,558 -0.089,559 0.008,560 -0.034,561 -0.012,562 -0.12,563 0.008,564 -0.028,565 0.051,566 0.002,567 0.042,568 -0.143,569 0.001,570 0.11,571 -0.095,572 -0.066,573 -0.085,574 0.237,575 -0.103,576 -0.106,577 -0.041,578 -0.033,579 -0.034,580 -0.048,581 -0.006,582 4.997,583 7.188,584 0.659,585 54.488,586 1.007,587 1.123,588 2.238,589 5.009,590 0.675,591 3.829,592 4.19,593 4.477,594 4.736,595 4.956,596 5.063,597 5.204,598 5.278,599 5.421,600 5.442,601 8.671,602 0.627,603 619.9,604 3.829,605 5.398,606 6.263,607 7.165,608 8.05,609 8.959,610 9.854,611 10.768,612 11.669,613 12.586,614 3.8,616 1,617 1,619 1,624 10,626 1,627 6,628 17,632 2,634 78,635 21,636 2,637 45,638 82,639 29,640 16,641 5,642 7,644 5,645 6,652 6,654 7,655 16,656 13,658 4,659 2,660 4,665 37,666 9,667 1,668 12,669 3,670 3,672 0.8,673 6,679 1,680 4,682 1,687 1,692 4,694 3,695 2,698 41,700 2,702 9,703 1,704 2,706 2,707 2,709 1,711 7.7,714 4,716 2,717 21.333,718 14.15,719 8.986,720 4.619,721 2.693,722 1.315,723 0.983,724 9.737,725 11.236,726 4.069,727 4.675,728 5.132,729 5.62,730 5.997,731 6.194,732 6.479,733 6.648,734 6.935,735 7.111,736 1,737 70,738 15.971,739 7.53,740 7.825,741 29.668,742 25.567,743 2.325,744 95.333,748 423.76,749 196.822,750 21.048,752 110.626,754 42.893,755 153.929,756 534.385,757 21.048,758 21.766,759 19.889,760 120.734,761 88.626,762 46.202,763 23.542,764 431.495,766 423.76,767 174.977,768 110.626,769 42.893,770 329.591,771 204.794,773 39.419,774 135.558,775 11.615,776 31.278,777 423.76,778 131.674,779 196.822,780 11.615,781 423.76,782 72.333,783 115.911,784 18.011,785 110.626,786 423.76,787 131.674,788 196.822,789 0.588,790 0.352,791 0.187,792 0.1,793 31,794 14,795 0.134,796 11,797 1,798 1.074,799 4.882,800 425.252,801 0.074,802 27,803 211.66,804 1,805 2,806 30.458,807 13.107,808 6.816,810 131.674,811 18.281,813 1.667,814 3.409,815 18.011,816 752.255,817 57.5,818 -7.633,819 55.23,822 78.52,823 87.57,824 0.268,825 0.573,826 0.805,827 0.891,828 0.899,829 0.911,830 5.344,831 2.051,832 6.297,833 6.775,834 4.875,835 5.364,836 1.698,837 7.198,838 4.759,839 6.576,840 1.692,841 7.923,842 6.082,843 4.691,844 5.521,846 8.552,847 4.499,848 7.942,849 1.655,850 9.671,851 4.987,852 6.611,853 7.678,854 1.298,855 11.64,856 6.371,857 9.355,858 1.432,859 11.5,860 4.716,861 7.273,862 8.682,864 13.842,865 6.932,866 10.81,867 1.305,868 13.382,869 3.492,870 8.712,871 10.395,872 1.028,873 16.585,874 8.323,875 12.294,876 1.278,877 15.301,878 3.039,879 9.725,880 11.723,882 19.078,883 9.231,884 13.801,885 1,886 17.248,887 2.783,888 11.019,889 13.31,890 0.819,891 21.745,892 10.464,893 3.626,894 0.8,895 19.216,896 2.275,897 12.176,898 14.763,900 24.338,901 11.522,902 3.375,903 14.542,904 21.2,905 1.856,906 13.433,907 16.316,908 0.65,909 26.992,910 12.707,911 2.948,912 12.407,913 23.195,914 4.821,915 14.65,916 17.822,918 29.624,919 13.832,920 2.603,921 10.237,922 25.201,923 4.555,924 15.903,925 19.368,926 0.511,927 32.279,928 15.006,929 2.591,930 8.15,931 27.214,932 3.858,933 17.146,934 20.899,936 34.929,937 16.163,938 2.42,939 7.238,940 29.234,941 3.602,942 18.403,943 22.446,944 0.399,945 37.589,946 17.339,947 2.285,948 7.127,949 31.258,950 3.48,951 19.659,952 23.988,954 40.248,955 18.512,956 26484,957 44296,958 29.701,959 52.631,960 67.463,961 69.892,962 69.493,963 67.531,964 67.653,965 85.41,966 6.355,967 203.017,968 63.666,969 6.004,970 6.758,971 7.526,972 5.641,973 5.626,974 7.821,975 1.72,976 23.232,977 5.353,978 21.065,979 1.499,980 1.553,981 1.544,982 1.501,983 1.503,984 1.898,985 0.141,986 4.511,987 1.415,988 4.155,989 4.15,990 4.756,991 4.117,992 7.718,993 4.046,994 4.027,995 4.022,996 4.719,997 3.986,998 7.711,999 3.884,1000 3.911,1001 3.93,1002 4.203,1003 3.905,1004 6.999,1005 3.84,1006 3.877,1007 3.886,1008 3.872,1009 3.851,1010 6.999,1011 3.812,1012 3.704,1013 3.738,1014 3.742,1015 3.603,1016 4.904,1017 3.573,1018 3.63,1019 3.614,1020 3.652,1021 3.536,1022 4.739,1023 3.475,1024 3.48,1025 3.499,1026 3.406,1027 3.373,1028 4.678,1029 3.327,1030 3.284,1031 3.339,1032 3.143,1033 3.023,1034 4.573,1035 3.005,1036 0.111,1037 0.106,1038 0.174,1039 0.101,1040 0.081,1041 5.004,1042 0.107,1043 4.758,1044 0.019,1045 7.843,1046 0.323,1047 4.555,1048 0.075,1049 3.626,1050 4.821,1051 0.86,1052 14.542,1053 3.353,1054 2.025,1055 2.022,1056 2.098,1057 2.121,1058 1.471,1059 2.148,1060 1.902,1061 1.896,1062 2.031,1063 2.051,1064 1.405,1065 2.079,1066 1.884,1067 1.866,1068 1.944,1069 1.981,1070 1.176,1071 1.991,1072 1.71,1073 1.678,1074 1.848,1075 1.845,1076 1.136,1077 1.885,1078 1.59,1079 1.551,1080 1.764,1081 1.729,1082 0.984,1083 1.75,1084 1.484,1085 1.486,1086 1.612,1087 1.626,1088 0.9,1089 1.667,1090 1.38,1091 1.386,1092 1.589,1093 1.577,1094 0.825,1095 1.606,1096 1.317,1097 1.322,1098 1.546,1099 1.526,1100 0.69,1101 1.548,1102 4.511,1104 5.861,1105 2.398,1106 7.413,1107 4.443,1108 9.058,1109 6.26,1110 10.757,1111 2.924,1116 4.49,1117 3.537,1118 10.69,1120 -0.238,1121 2.976,1123 48.87,1124 131.611,1125 280.831,1126 394.752,1127 436.752,1128 440.752,1129 446.752,1130 119.23,1131 8.543,1132 105.25,1133 150.25,1134 29,1135 13.1,1136 4.459,1137 3.755,1138 66.353,1139 206,1140 258,1141 0.151,1142 306.315,1143 535.91,1144 739.169,1145 75256,1147 29.037,1148 0.708,1149 0.63,1150 29.891,1151 25.81,1152 19.724,1153 0.438,1154 0.395,1155 13.934,1156 16.919,1157 13.244,1158 10.911,1159 21.834,1160 17.785,1161 18.228,1162 0.28,1163 0.232,1164 21.312,1165 15.081,1166 15.422,1167 0.177,1168 0.144,1169 18.369,1170 12.488,1171 12.682,1172 0.112,1173 0.087,1174 15.635,1175 9.815,1176 9.999,1177 0.071,1178 0.052,1179 12.417,1180 7.398,1181 0.239,1182 145.156,1183 0.183,1184 36.68,1185 0.408,1186 220,1187 660.618,1188 336.965,1189 684.442,1190 920.38,1191 632,1192 262,1193 596.995,1194 395.754,1195 686.434,1196 1001.35,1197 640,1198 6.839} {0 CHEMBL583083,1 1.624,2 16.048,3 4.605,4 21.203,5 165.708,6 7.579,7 0.391,8 4.483,9 4.582,10 4.255,11 4.054,12 5.448,13 3.992,14 5.086,15 5.246,16 4.542,17 4.466,18 6.27,19 4.385,20 5.379,21 5.574,22 4.701,23 4.685,24 6.359,25 4.567,26 5.534,27 5.729,28 4.729,29 4.741,30 6.656,31 4.614,32 5.587,33 5.805,34 4.705,35 4.746,36 6.662,37 4.613,38 5.559,39 5.766,40 4.719,41 4.72,42 6.649,43 4.602,44 5.519,45 5.723,46 4.675,47 4.727,48 6.739,49 4.601,50 5.57,51 5.808,52 4.586,53 4.697,54 6.543,55 4.544,56 0.145,57 1.194,58 23.402,59 8.717,60 27.31,61 10.507,62 0.711,63 1.978,64 39.69,65 14.71,66 96.915,67 18.126,68 0.534,69 2.597,70 61.125,71 20.989,72 73.742,73 25.11,74 1.177,75 2.856,76 74.16,77 23.912,78 153.176,79 28.091,80 1.082,81 2.891,82 81.693,83 25.731,84 167.61,85 30.355,86 1.423,87 2.774,88 73.27,89 23.216,90 191.637,91 28.262,92 1.11,93 2.767,94 66.161,95 23.239,96 209.889,97 28.85,98 0.869,99 2.827,100 74.286,101 24.432,102 125.994,103 30.335,104 41,105 66,106 0.246,107 0.518,108 0.722,109 0.819,110 0.846,111 0.862,112 3.765,113 1.133,114 -3.78,115 -3.74,116 -3.56,117 38.3,119 5,122 2,123 4,124 2,126 12,127 2,128 4,139 13,140 6,141 9,145 3,147 15,151 11,155 2,157 10,159 4,160 20,162 1,164 2,166 7,168 3,169 9,173 1,175 13,177 3,178 10,180 2,184 16,186 6,187 13,191 1,193 11,197 18,203 4,206 3,207 21,209 1,211 1,213 5,216 4032,217 28.313,218 28.313,219 28.313,220 28.313,221 28.313,222 25.555,223 39.917,224 16.48,225 29.112,226 22.559,227 22.559,228 22.559,229 22.559,230 22.559,231 18.17,232 62.585,233 7.619,234 23.678,235 4.716,236 2.917,237 1.567,238 0.921,239 0.744,240 0.636,241 4.465,244 1,245 1459,246 4.796,250 675.745,252 214.69,253 2.29,254 64.482,256 0.75,257 0.5,258 0.67,259 0.9,260 0.5,261 0.67,262 0.5,263 0.64,264 91.5,265 674,266 5.004,267 4.758,268 7.843,269 4.555,270 3.626,271 4.821,272 0.86,273 14.542,274 3.353,275 4.792,276 4.513,277 7.293,278 4.305,279 3.375,280 4.555,281 0.86,282 12.407,283 3.118,284 4.271,285 3.267,286 6.592,287 3.906,288 2.948,289 3.858,290 0.657,291 10.237,292 2.813,293 4.011,294 2.916,295 5.918,296 3.57,297 2.593,298 3.602,299 0.4,300 8.15,301 2.539,302 3.904,303 2.844,304 5.541,305 3.553,306 2.59,307 3.445,308 0.4,309 7.227,310 2.49,311 3.516,312 2.629,313 5.433,314 3.391,315 2.41,316 2.709,318 7.126,319 2.355,320 3.473,321 2.567,322 5.269,323 3.251,324 2.285,325 2.533,327 6.754,328 2.201,329 3.327,330 2.438,331 5.159,332 2.981,333 2.051,334 2.446,336 6.082,337 1.896,338 2.948,339 2.215,340 4.835,341 2.631,342 1.698,343 2.091,345 4.986,346 1.606,347 2.935,348 1.93,349 4.72,350 2.62,351 1.656,352 2.089,354 4.716,355 1.568,356 2.86,357 1.596,358 4.28,359 2.466,360 1.478,361 1.983,363 3.492,364 1.453,365 2.773,366 1.536,367 3.701,368 2.418,369 1.429,370 1.874,372 3.143,373 1.409,374 2.757,375 1.429,376 3.64,377 2.281,378 1.305,379 1.756,381 3.039,382 1.269,383 2.5,384 1.087,385 3.568,386 2,387 1,388 1.5,390 2.275,391 1,392 2.016,393 1.077,394 3.414,395 1.984,396 1,397 1,399 2.136,400 0.983,401 20.367,402 0.485,403 1.12,404 0.027,405 52,406 1.238,407 25.5,408 0.607,409 26.5,410 0.631,411 45.412,412 1.081,413 47.433,414 0.586,415 47.461,416 1.13,417 9.644,418 0.23,419 10.58,420 0.252,421 0.115,422 0.082,423 0.236,425 0.566,426 1.447,427 0.855,428 1.348,429 0.637,430 1.056,431 0.837,432 1.095,433 0.936,434 0.963,435 0.572,436 0.96,437 0.985,438 1.16,439 1.167,440 1.162,441 0.876,442 1.014,443 1.203,444 1.099,445 1.328,446 1.205,447 1.408,448 1.085,449 1.238,450 0.993,451 1.164,452 1.084,453 1.573,454 0.978,455 1.285,456 0.931,457 1.036,458 0.959,459 1.544,460 0.959,461 0.914,462 1.105,463 1.035,464 1.082,465 0.866,466 1.08,467 1.103,468 1.011,469 1.055,470 1.025,471 1.045,472 0.992,473 9.5,474 0.28,475 6,476 3.625,477 3.071,478 2.146,479 1.18,480 0.944,481 0.866,482 0.498,483 30294,484 78187,485 2.062,486 48.1,487 2,488 28,491 1,493 2,494 6,495 1.813,496 1.924,497 3.856,498 -0.361,500 131.552,501 1.624,502 3.423,503 4.773,504 5.419,505 5.596,506 5.704,507 3.387,508 4.803,509 5.356,510 4.083,511 3515.65,512 9.483,513 62726.9,516 513.528,517 1.565,518 5.311,519 0.207,520 0.006,521 0.091,522 0.05,523 0.043,524 0.03,525 0.017,526 0.013,527 0.014,528 0.009,529 0.479,530 0.33,531 0.5,532 0.739,533 240.585,534 0.118,535 -0.199,536 0.254,537 -0.111,538 -0.113,539 0.01,540 0.156,541 0.046,542 0.047,543 0.068,544 0.232,545 0.021,546 -0.079,547 -0.048,548 -0.01,549 -0.035,550 -0.019,551 -0.005,552 -0.012,553 -0.032,554 -0.129,555 -0.089,556 -0.05,557 -0.102,558 -0.082,559 0.003,560 -0.025,561 -0.013,562 -0.116,563 0.011,564 -0.02,565 0.057,566 0.009,567 0.042,568 -0.14,569 0.006,570 0.123,571 -0.09,572 -0.036,573 -0.075,574 0.238,575 -0.094,576 -0.092,577 -0.034,578 -0.005,579 -0.016,580 -0.043,581 -0.005,582 5.002,583 7.204,584 0.667,585 58,586 1.004,587 1.124,588 2.551,589 6.508,590 0.664,591 3.85,592 4.205,593 4.489,594 4.745,595 4.997,596 5.075,597 5.215,598 5.288,599 5.438,600 5.46,601 8.966,602 0.62,603 613.87,604 3.85,605 5.416,606 6.279,607 7.177,608 8.061,609 8.967,610 9.861,611 10.773,612 11.673,613 12.59,614 3.7,616 1,617 1,619 1,624 12,627 6,628 18,632 2,634 81,635 22,636 3,637 46,638 85,639 31,640 18,641 6,642 12,644 5,645 6,652 6,654 7,655 18,656 13,658 4,659 2,660 4,665 39,666 9,667 1,668 11,669 2,670 3,672 0.8,673 6,680 5,682 1,687 1,692 4,694 2,695 2,698 42,700 2,702 9,703 1,704 2,706 2,707 2,711 7.4,714 4,716 2,717 21.833,718 14.65,719 9.236,720 4.842,721 2.919,722 1.338,723 0.98,724 9.805,725 11.546,726 4.094,727 4.696,728 5.152,729 5.638,730 6.105,731 6.225,732 6.502,733 6.668,734 6.964,735 7.135,736 0.909,737 73,738 16.338,739 7.668,740 7.821,741 30.344,742 26.023,743 2.321,744 97.5,748 447.302,749 188.151,750 21.048,752 110.626,754 11.615,755 176.536,756 557.928,757 21.048,758 21.766,759 19.889,760 143.341,761 88.626,762 46.202,764 447.302,766 447.302,767 197.584,768 110.626,769 11.615,770 353.133,771 204.794,773 39.419,774 158.165,775 11.615,777 447.302,778 131.674,779 188.151,780 11.615,781 447.302,782 41.055,783 138.518,784 18.011,785 110.626,786 447.302,787 131.674,788 188.151,789 0.586,790 0.35,791 0.186,792 0.104,793 31,794 14,795 0.129,796 11,797 1,798 1.071,799 4.964,800 436.972,801 0.071,802 28,803 214.477,805 2,806 30.835,807 13.356,808 6.977,810 131.674,811 22.176,814 3.361,815 18.011,816 767.126,817 59,818 -7.649,819 55.33,822 81.327,823 91.065,824 0.256,825 0.54,826 0.753,827 0.855,828 0.883,829 0.9,830 5.364,831 2.051,832 6.308,833 6.754,834 4.89,835 5.384,836 1.698,837 7.204,838 4.794,839 6.593,840 1.698,841 7.93,842 6.082,843 4.691,844 5.521,846 8.552,847 4.499,848 7.955,849 1.656,850 9.676,851 4.986,852 6.619,853 7.692,854 1.298,855 11.641,856 6.402,857 9.364,858 1.478,859 11.502,860 4.716,861 7.266,862 8.669,864 13.841,865 6.93,866 10.816,867 1.429,868 13.383,869 3.492,870 8.716,871 10.404,872 1.028,873 16.585,874 8.346,875 12.298,876 1.305,877 15.302,878 3.143,879 9.72,880 11.712,882 19.077,883 9.233,884 13.803,885 1,886 17.248,887 3.039,888 11.02,889 13.314,890 0.819,891 21.745,892 10.479,893 3.626,894 1,895 19.216,896 2.275,897 12.173,898 14.756,900 24.338,901 11.526,902 3.375,903 14.542,904 21.199,905 2.136,906 13.433,907 16.318,908 0.65,909 26.992,910 12.717,911 2.948,912 12.407,913 23.195,914 4.821,915 14.648,916 17.818,918 29.624,919 13.836,920 2.593,921 10.237,922 25.201,923 4.555,924 15.902,925 19.369,926 0.511,927 32.279,928 15.013,929 2.59,930 8.15,931 27.214,932 3.858,933 17.145,934 20.896,936 34.929,937 16.166,938 2.41,939 7.227,940 29.234,941 3.602,942 18.403,943 22.446,944 0.399,945 37.589,946 17.343,947 2.285,948 7.126,949 31.258,950 3.445,951 19.659,952 23.987,954 40.248,955 18.514,956 28596,957 46253,958 30.394,959 53.745,960 68.688,961 71.447,962 71.213,963 68.977,964 69.003,965 87.455,966 6.355,967 205.713,968 65.824,969 6.004,970 6.758,971 7.645,972 5.638,973 5.626,974 7.821,975 1.72,976 23.232,977 5.353,978 21.449,979 1.493,980 1.553,981 1.548,982 1.5,983 1.5,984 1.901,985 0.138,986 4.472,987 1.431,988 4.156,989 4.151,990 4.756,991 4.117,992 7.718,993 4.047,994 4.028,995 4.024,996 4.719,997 3.985,998 7.711,999 3.886,1000 3.916,1001 3.941,1002 3.875,1003 3.851,1004 6.999,1005 3.844,1006 3.905,1007 3.922,1008 3.845,1009 3.85,1010 6.999,1011 3.822,1012 3.714,1013 3.751,1014 3.739,1015 3.602,1016 4.904,1017 3.576,1018 3.631,1019 3.617,1020 3.629,1021 3.536,1022 4.764,1023 3.476,1024 3.482,1025 3.502,1026 3.405,1027 3.373,1028 4.732,1029 3.327,1030 3.284,1031 3.345,1032 3.123,1033 3.073,1034 4.573,1035 3.067,1036 0.109,1037 0.103,1038 0.17,1039 0.099,1040 0.079,1041 5.004,1042 0.105,1043 4.758,1044 0.019,1045 7.843,1046 0.316,1047 4.555,1048 0.073,1049 3.626,1050 4.821,1051 0.86,1052 14.542,1053 3.353,1054 2.025,1055 2.022,1056 2.098,1057 2.122,1058 1.471,1059 2.148,1060 1.927,1061 1.903,1062 2.064,1063 2.062,1064 1.406,1065 2.085,1066 1.895,1067 1.882,1068 1.996,1069 1.985,1070 1.182,1071 2.006,1072 1.869,1073 1.856,1074 1.944,1075 1.974,1076 1.14,1077 1.988,1078 1.688,1079 1.65,1080 1.846,1081 1.82,1082 1.129,1083 1.861,1084 1.501,1085 1.503,1086 1.615,1087 1.659,1088 0.906,1089 1.694,1090 1.381,1091 1.389,1092 1.589,1093 1.582,1094 0.825,1095 1.609,1096 1.247,1097 1.168,1098 1.546,1099 1.526,1100 0.726,1101 1.548,1102 4.533,1104 5.878,1106 7.432,1108 9.079,1110 10.778,1111 2.923,1116 4.405,1117 3.545,1118 10.697,1120 -0.261,1121 2.973,1123 50.21,1124 131.552,1125 277.277,1126 386.634,1127 438.899,1128 453.263,1129 462.018,1130 123.075,1131 8.627,1132 105.25,1133 122.01,1134 30,1135 13.104,1136 4.524,1137 3.807,1138 68.924,1139 219,1140 284,1141 0.147,1142 311.442,1143 549.36,1144 751.678,1145 84962,1147 29.744,1148 0.708,1149 0.613,1150 30.244,1151 25.74,1152 20.224,1153 0.44,1154 0.378,1155 14.38,1156 17.919,1157 13.771,1158 11.368,1159 21.834,1160 17.371,1161 18.581,1162 0.282,1163 0.222,1164 21.168,1165 14.655,1166 15.672,1167 0.178,1168 0.137,1169 18.086,1170 12.019,1171 12.859,1172 0.113,1173 0.082,1174 15.235,1175 9.349,1176 10.611,1177 0.072,1178 0.05,1179 12.784,1180 7.388,1181 0.235,1182 143.156,1183 0.181,1184 37.478,1185 0.397,1186 224,1187 659.757,1188 322.023,1189 665.123,1190 898.18,1191 614,1192 266,1193 597.937,1194 384.722,1195 675.311,1196 985.9,1197 631,1198 7.081} {0 CHEMBL583084,1 1.632,2 17.545,3 4.588,4 21.052,5 172.171,6 7.575,7 0.375,8 4.533,9 4.63,10 4.294,11 4.082,12 5.513,13 4.028,14 5.136,15 5.296,16 4.582,17 4.49,18 6.316,19 4.418,20 5.408,21 5.595,22 4.745,23 4.715,24 6.405,25 4.607,26 5.575,27 5.766,28 4.765,29 4.785,30 6.697,31 4.66,32 5.639,33 5.862,34 4.731,35 4.788,36 6.697,37 4.651,38 5.598,39 5.807,40 4.745,41 4.747,42 6.68,43 4.63,44 5.546,45 5.747,46 4.702,47 4.75,48 6.76,49 4.627,50 5.614,51 5.854,52 4.626,53 4.725,54 6.58,55 4.579,56 0.158,57 1.244,58 24.34,59 9.107,60 28.327,61 10.941,62 0.811,63 2.037,64 42.004,65 15.216,66 102.438,67 18.651,68 0.619,69 2.655,70 62.298,71 21.363,72 76.678,73 25.505,74 1.266,75 2.956,76 76.283,77 24.715,78 157.532,79 29.251,80 1.173,81 3.011,82 85.294,83 26.848,84 173.104,85 32.253,86 1.571,87 2.846,88 76.064,89 23.883,90 197.933,91 29.396,92 1.178,93 2.829,94 67.519,95 23.58,96 212.312,97 29.435,98 1.009,99 2.914,100 77.494,101 24.861,102 132.162,103 31.223,104 59,105 69,106 0.245,107 0.514,108 0.718,109 0.811,110 0.833,111 0.851,112 3.81,113 1.118,114 -3.24,115 -3.23,116 -3.1,117 37.6,119 5,122 3,123 4,124 2,126 11,127 2,128 5,139 11,140 6,141 11,145 3,147 13,151 13,155 2,157 9,159 4,160 21,162 1,164 2,166 7,168 3,169 9,175 13,177 3,178 10,180 3,184 16,186 6,187 13,191 1,193 9,197 20,203 4,206 3,207 20,209 1,211 1,213 5,216 4584,217 29.631,218 29.631,219 29.631,220 29.631,221 29.631,222 26.9,223 44.23,224 17.064,225 30.609,226 23.453,227 23.453,228 23.453,229 23.453,230 23.453,231 18.997,232 67.237,233 7.793,234 24.763,235 4.777,236 2.979,237 1.619,238 0.998,239 0.853,240 0.733,241 4.509,244 1,245 1663,246 4.95,250 720.886,252 230.778,253 2.562,254 67.952,256 0.75,257 0.5,258 0.67,259 0.9,260 1,261 0.67,262 0.5,263 0.71,264 96.5,265 772,266 5.004,267 4.758,268 7.843,269 4.555,270 3.626,271 4.821,272 0.86,273 14.542,274 3.353,275 4.792,276 4.513,277 7.293,278 4.305,279 3.375,280 4.555,281 0.86,282 12.407,283 3.118,284 4.271,285 3.267,286 6.592,287 3.906,288 2.948,289 3.858,290 0.86,291 10.237,292 2.813,293 4.037,294 2.927,295 5.918,296 3.644,297 2.669,298 3.635,299 0.657,300 8.15,301 2.603,302 4.011,303 2.916,304 5.541,305 3.553,306 2.591,307 3.602,308 0.4,309 7.404,310 2.491,311 3.57,312 2.756,313 5.502,314 3.45,315 2.489,316 2.779,317 0.4,318 7.137,319 2.389,320 3.477,321 2.574,322 5.357,323 3.253,324 2.288,325 2.709,327 6.983,328 2.202,329 3.42,330 2.541,331 5.16,332 3.112,333 2.158,334 2.506,336 6.221,337 2.047,338 3.326,339 2.434,340 5.091,341 2.98,342 2.05,343 2.445,345 6.082,346 1.896,347 2.948,348 2.196,349 4.833,350 2.631,351 1.677,352 2.091,354 4.98,355 1.606,356 2.862,357 1.93,358 4.72,359 2.59,360 1.653,361 1.984,363 4.716,364 1.526,365 2.778,366 1.537,367 4.28,368 2.421,369 1.431,370 1.874,372 3.492,373 1.414,374 2.773,375 1.429,376 3.7,377 2.281,378 1.305,379 1.77,381 3.039,382 1.269,383 2.5,384 1.249,385 3.569,386 2,387 1,388 1.5,390 2.275,391 1,392 2.016,393 1.087,394 3.424,395 1.984,396 1,397 1,399 2.275,400 0.983,401 21.2,402 0.482,403 1.188,404 0.027,405 54,406 1.227,407 26,408 0.591,409 28,410 0.636,411 48.377,412 1.099,413 50.2,414 0.591,415 50.407,416 1.146,417 10.129,418 0.23,419 11.027,420 0.251,421 0.134,422 0.079,423 0.25,425 0.609,426 1.48,427 0.852,428 1.375,429 0.645,430 1.074,431 0.918,432 1.06,433 0.929,434 0.929,435 0.594,436 0.92,437 0.997,438 1.172,439 1.175,440 1.172,441 0.893,442 1.021,443 1.147,444 1.125,445 1.335,446 1.227,447 1.405,448 1.12,449 1.109,450 1.002,451 1.138,452 1.089,453 1.528,454 0.99,455 1.196,456 0.927,457 1.027,458 0.955,459 1.528,460 0.958,461 0.88,462 1.142,463 1.046,464 1.107,465 0.877,466 1.104,467 1.064,468 0.992,469 1.042,470 1.004,471 1.043,472 0.969,473 10.5,474 0.301,475 6.444,476 3.688,477 3.302,478 2.264,479 1.22,480 1.007,481 0.915,482 0.508,483 35028,484 94033,485 2.046,486 48.2,487 2,488 30,491 1,493 2,494 6,495 1.822,496 1.899,497 3.964,498 -0.355,500 138.732,501 1.632,502 3.43,503 4.791,504 5.412,505 5.556,506 5.677,507 3.45,508 4.988,509 5.423,510 4.195,511 3968.62,512 9.606,513 74429.5,516 544.798,517 1.602,518 5.373,519 0.219,520 0.006,521 0.093,522 0.048,523 0.044,524 0.031,525 0.017,526 0.014,527 0.014,528 0.008,529 0.494,530 0.33,531 0.5,532 0.81,533 256.939,534 0.098,535 -0.219,536 0.248,537 -0.125,538 -0.111,539 0.001,540 0.104,541 0.079,542 0.06,543 0.106,544 0.224,545 0.062,546 -0.095,547 -0.044,548 -0.02,549 -0.031,550 -0.022,551 -0.006,552 -0.032,553 -0.048,554 -0.15,555 -0.104,556 -0.061,557 -0.127,558 -0.066,559 -0.005,560 -0.016,561 -0.017,562 -0.11,563 0.01,564 -0.009,565 0.063,566 0.016,567 0.05,568 -0.134,569 0.013,570 0.101,571 -0.112,572 -0.047,573 -0.09,574 0.232,575 -0.111,576 -0.092,577 -0.007,578 0.007,579 0.002,580 -0.044,581 0.018,582 5.013,583 7.23,584 0.636,585 65.479,586 1.006,587 1.126,588 2.008,589 4.033,590 0.658,591 3.892,592 4.248,593 4.533,594 4.779,595 5.037,596 5.124,597 5.247,598 5.318,599 5.472,600 5.493,601 9.619,602 0.617,603 643.9,604 3.892,605 5.46,606 6.323,607 7.22,608 8.104,609 9.009,610 9.902,611 10.812,612 11.711,613 12.625,614 3.5,616 1,617 1,619 1,624 11,627 7,628 18,632 3,634 85,635 22,636 3,637 48,638 89,639 32,640 18,641 7,642 11,644 5,645 6,652 6,654 7,655 18,656 14,658 4,659 2,660 4,665 41,666 10,667 1,668 12,669 2,670 3,672 0.8,673 7,680 5,682 1,687 1,692 4,694 2,695 3,698 44,700 2,702 9,703 1,704 3,706 2,707 2,711 8.2,714 4,716 3,717 23.167,718 15.733,719 9.736,720 4.994,721 2.982,722 1.34,723 0.971,724 10.559,725 11.759,726 4.127,727 4.732,728 5.194,729 5.677,730 6.156,731 6.299,732 6.544,733 6.693,734 6.989,735 7.156,736 0.917,737 77,738 17.076,739 7.952,740 7.833,741 31.653,742 26.91,743 2.333,744 102.667,748 470.844,749 194.801,750 21.048,752 121.626,754 11.615,755 183.186,756 592.47,757 21.048,758 32.649,759 19.889,760 133.864,761 88.626,762 62.446,764 470.844,766 470.844,767 204.234,768 121.626,769 11.615,770 376.675,771 215.794,773 39.419,774 164.815,775 11.615,777 470.844,778 142.673,779 194.801,780 11.615,781 470.844,782 46.298,783 139.925,784 18.011,785 121.626,786 470.844,787 142.673,788 194.801,789 0.586,790 0.353,791 0.184,792 0.103,793 32,794 15,795 0.135,796 12,797 1,798 1.071,799 5.114,800 461.329,801 0.071,802 28,803 228.215,805 2,806 32.735,807 14.193,808 7.438,810 142.673,811 19.885,814 4.084,815 18.011,816 808.319,817 61,818 -7.681,819 55.479,822 85.538,823 95.69,824 0.255,825 0.535,826 0.747,827 0.844,828 0.867,829 0.886,830 5.4,831 2.158,832 6.354,833 6.983,834 4.934,835 5.421,836 1.938,837 7.248,838 4.831,839 6.632,840 2.05,841 7.976,842 6.221,843 4.745,844 5.574,846 8.583,847 4.551,848 7.996,849 1.677,850 9.719,851 6.082,852 6.663,853 7.73,854 1.56,855 11.663,856 6.439,857 9.405,858 1.653,859 11.54,860 4.98,861 7.307,862 8.71,864 13.852,865 6.97,866 10.855,867 1.431,868 13.414,869 4.716,870 8.749,871 10.435,872 1.282,873 16.593,874 8.377,875 12.334,876 1.305,877 15.326,878 3.492,879 9.747,880 11.74,882 19.081,883 9.261,884 13.836,885 1,886 17.267,887 3.039,888 11.042,889 13.337,890 1.053,891 21.747,892 10.501,893 3.626,894 1,895 19.23,896 2.275,897 12.191,898 14.776,900 24.339,901 11.545,902 3.375,903 14.542,904 21.21,905 2.275,906 13.447,907 16.333,908 0.858,909 26.992,910 12.732,911 2.948,912 12.407,913 23.203,914 4.821,915 14.659,916 17.831,918 29.624,919 13.849,920 2.669,921 10.237,922 25.207,923 4.555,924 15.911,925 19.379,926 0.691,927 32.279,928 15.024,929 2.591,930 8.15,931 27.218,932 3.858,933 17.152,934 20.905,936 34.929,937 16.175,938 2.489,939 7.404,940 29.237,941 3.635,942 18.408,943 22.453,944 0.549,945 37.589,946 17.351,947 2.288,948 7.137,949 31.261,950 3.602,951 19.663,952 23.993,954 40.248,955 18.52,956 33250,957 54765,958 31.493,959 55.961,960 71.438,961 74.59,962 74.854,963 71.779,964 71.854,965 90.487,966 8.075,967 214.985,968 68.183,969 6.004,970 6.758,971 7.526,972 5.638,973 5.626,974 7.821,975 1.72,976 23.232,977 5.353,978 24.463,979 1.488,980 1.554,981 1.559,982 1.495,983 1.497,984 1.885,985 0.168,986 4.479,987 1.42,988 4.156,989 4.152,990 4.756,991 4.117,992 7.718,993 4.047,994 4.028,995 4.025,996 4.719,997 3.985,998 7.711,999 3.887,1000 3.925,1001 3.943,1002 3.881,1003 3.852,1004 6.999,1005 3.846,1006 3.908,1007 3.923,1008 3.862,1009 3.851,1010 6.999,1011 3.825,1012 3.717,1013 3.752,1014 3.739,1015 3.602,1016 4.909,1017 3.577,1018 3.632,1019 3.618,1020 3.635,1021 3.536,1022 4.864,1023 3.477,1024 3.483,1025 3.503,1026 3.405,1027 3.373,1028 4.736,1029 3.328,1030 3.334,1031 3.395,1032 3.196,1033 3.11,1034 4.573,1035 3.118,1036 0.104,1037 0.099,1038 0.163,1039 0.095,1040 0.076,1041 5.004,1042 0.1,1043 4.758,1044 0.018,1045 7.843,1046 0.303,1047 4.555,1048 0.07,1049 3.626,1050 4.821,1051 0.86,1052 14.542,1053 3.353,1054 2.025,1055 2.022,1056 2.098,1057 2.122,1058 1.471,1059 2.148,1060 1.924,1061 1.903,1062 2.055,1063 2.062,1064 1.406,1065 2.085,1066 1.895,1067 1.882,1068 1.984,1069 1.988,1070 1.182,1071 2.004,1072 1.868,1073 1.856,1074 1.944,1075 1.977,1076 1.141,1077 1.988,1078 1.688,1079 1.65,1080 1.846,1081 1.822,1082 1.13,1083 1.861,1084 1.502,1085 1.504,1086 1.617,1087 1.663,1088 0.906,1089 1.696,1090 1.381,1091 1.389,1092 1.593,1093 1.585,1094 0.825,1095 1.61,1096 1.284,1097 1.22,1098 1.589,1099 1.553,1100 0.726,1101 1.571,1102 4.575,1104 5.922,1106 7.476,1108 9.122,1110 10.819,1111 4.558,1116 4.225,1117 3.541,1118 15.921,1120 -0.307,1121 2.96,1123 52.451,1124 138.732,1125 291.545,1126 407.196,1127 460.004,1128 472.269,1129 482.534,1130 132.066,1131 8.776,1132 114.48,1133 131.24,1134 30,1135 13.141,1136 4.524,1137 3.807,1138 74.231,1139 248,1140 340,1141 0.141,1142 325.03,1143 575.45,1144 784.834,1145 103950,1147 31.321,1148 0.712,1149 0.615,1150 31.821,1151 27.071,1152 21.156,1153 0.441,1154 0.373,1155 14.861,1156 18.693,1157 14.206,1158 11.743,1159 22.765,1160 17.894,1161 19.372,1162 0.281,1163 0.218,1164 21.959,1165 15.018,1166 16.491,1167 0.179,1168 0.134,1169 18.905,1170 12.335,1171 13.312,1172 0.113,1173 0.08,1174 15.687,1175 9.496,1176 10.993,1177 0.072,1178 0.049,1179 13.166,1180 7.498,1181 0.226,1182 149.863,1183 0.178,1184 39.071,1185 0.373,1186 234,1187 715.493,1188 334.901,1189 711.424,1190 958.53,1191 658,1192 278,1193 638.483,1194 399.38,1195 715.849,1196 1043.4,1197 667,1198 6.196}