@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4963 @attribute molecule_id {CHEMBL134739,CHEMBL137827,CHEMBL137901,CHEMBL137919,CHEMBL137947,CHEMBL138076,CHEMBL138411,CHEMBL138731,CHEMBL138798,CHEMBL139002,CHEMBL139052,CHEMBL139120,CHEMBL139234,CHEMBL139339,CHEMBL139380,CHEMBL139387,CHEMBL139624,CHEMBL139740,CHEMBL277080,CHEMBL335151,CHEMBL337343,CHEMBL337783,CHEMBL337795,CHEMBL342409,CHEMBL342584,CHEMBL342872,CHEMBL343561,CHEMBL344255,CHEMBL344411,CHEMBL344578,CHEMBL457018,CHEMBL514254} @attribute AAC numeric @attribute AECC numeric @attribute ALOGP numeric @attribute ALOGP2 numeric @attribute AMR numeric @attribute AMW numeric @attribute ARR numeric @attribute ATS1e numeric @attribute ATS1i numeric @attribute ATS1m numeric @attribute ATS1p numeric @attribute ATS1s numeric @attribute ATS1v numeric @attribute ATS2e numeric @attribute ATS2i numeric @attribute ATS2m numeric @attribute ATS2p numeric @attribute ATS2s numeric @attribute ATS2v numeric @attribute ATS3e numeric @attribute ATS3i numeric @attribute ATS3m numeric @attribute ATS3p numeric @attribute ATS3s numeric @attribute ATS3v numeric @attribute ATS4e numeric @attribute ATS4i numeric @attribute ATS4m numeric @attribute ATS4p numeric @attribute ATS4s numeric @attribute ATS4v numeric @attribute ATS5e numeric @attribute ATS5i numeric @attribute ATS5m numeric @attribute ATS5p numeric @attribute ATS5s numeric @attribute ATS5v numeric @attribute ATS6e numeric @attribute ATS6i numeric @attribute ATS6m numeric @attribute ATS6p numeric @attribute ATS6s numeric @attribute ATS6v numeric @attribute ATS7e numeric @attribute ATS7i numeric @attribute ATS7m numeric @attribute ATS7p numeric @attribute ATS7s numeric @attribute ATS7v numeric @attribute ATS8e numeric @attribute ATS8i numeric @attribute ATS8m numeric @attribute ATS8p numeric @attribute ATS8s numeric @attribute ATS8v numeric @attribute ATSC1e numeric @attribute ATSC1i numeric @attribute ATSC1m numeric @attribute ATSC1p numeric @attribute ATSC1s numeric @attribute ATSC1v numeric @attribute ATSC2e numeric @attribute ATSC2i numeric @attribute ATSC2m numeric @attribute ATSC2p numeric @attribute ATSC2s numeric @attribute ATSC2v numeric @attribute ATSC3e numeric @attribute ATSC3i numeric @attribute ATSC3m numeric @attribute ATSC3p numeric @attribute ATSC3s numeric @attribute ATSC3v numeric @attribute ATSC4e numeric @attribute ATSC4i numeric @attribute ATSC4m numeric @attribute ATSC4p numeric @attribute ATSC4s numeric @attribute ATSC4v numeric @attribute ATSC5e numeric @attribute ATSC5i numeric @attribute ATSC5m numeric @attribute ATSC5p numeric @attribute ATSC5s numeric @attribute ATSC5v numeric @attribute ATSC6e numeric @attribute ATSC6i numeric @attribute ATSC6m numeric @attribute ATSC6p numeric @attribute ATSC6s numeric @attribute ATSC6v numeric @attribute ATSC7e numeric @attribute ATSC7i numeric @attribute ATSC7m numeric @attribute ATSC7p numeric @attribute ATSC7s numeric @attribute ATSC7v numeric @attribute ATSC8e numeric @attribute ATSC8i numeric @attribute ATSC8m numeric @attribute ATSC8p numeric @attribute ATSC8s numeric @attribute ATSC8v numeric @attribute BAC numeric @attribute BBI numeric @attribute BIC0 numeric @attribute BIC1 numeric @attribute BIC2 numeric @attribute BIC3 numeric @attribute BIC4 numeric @attribute BIC5 numeric @attribute BID numeric @attribute BLI numeric @attribute BLTA96 numeric @attribute BLTD48 numeric @attribute BLTF96 numeric @attribute C. numeric @attribute C.001 numeric @attribute C.002 numeric @attribute C.003 numeric @attribute C.005 numeric @attribute C.006 numeric @attribute C.008 numeric @attribute C.011 numeric @attribute C.024 numeric @attribute C.025 numeric @attribute C.026 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_AN numeric @attribute CATS2D_01_DN numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_01_NL numeric @attribute CATS2D_02_AA numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_AP numeric @attribute CATS2D_02_DA numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_02_DN numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_02_NL numeric @attribute CATS2D_02_PL numeric @attribute CATS2D_03_AA numeric @attribute CATS2D_03_AL numeric @attribute CATS2D_03_AP numeric @attribute CATS2D_03_DA numeric @attribute CATS2D_03_DD numeric @attribute CATS2D_03_DL numeric @attribute CATS2D_03_DN numeric @attribute CATS2D_03_DP numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_03_NL numeric @attribute CATS2D_03_NN numeric @attribute CATS2D_03_PL numeric @attribute CATS2D_04_AA numeric @attribute CATS2D_04_AL numeric @attribute CATS2D_04_AN numeric @attribute CATS2D_04_DA numeric @attribute CATS2D_04_DD numeric @attribute CATS2D_04_DL numeric @attribute CATS2D_04_DN numeric @attribute CATS2D_04_DP numeric @attribute CATS2D_04_LL numeric @attribute CATS2D_04_NL numeric @attribute CATS2D_04_NN numeric @attribute CATS2D_04_PL numeric @attribute CATS2D_04_PN numeric @attribute CATS2D_05_AA numeric @attribute CATS2D_05_AL numeric @attribute CATS2D_05_AN numeric @attribute CATS2D_05_AP numeric @attribute CATS2D_05_DA numeric @attribute CATS2D_05_DD numeric @attribute CATS2D_05_DL numeric @attribute CATS2D_05_DN numeric @attribute CATS2D_05_DP numeric @attribute CATS2D_05_LL numeric @attribute CATS2D_05_NL numeric @attribute CATS2D_05_PL numeric @attribute CATS2D_06_AA numeric @attribute CATS2D_06_AL numeric @attribute CATS2D_06_AN numeric @attribute CATS2D_06_AP numeric @attribute CATS2D_06_DA numeric @attribute CATS2D_06_DD numeric @attribute CATS2D_06_DL numeric @attribute CATS2D_06_DN numeric @attribute CATS2D_06_DP numeric @attribute CATS2D_06_LL numeric @attribute CATS2D_06_NL numeric @attribute CATS2D_06_PL numeric @attribute CATS2D_07_AA numeric @attribute CATS2D_07_AL numeric @attribute CATS2D_07_AN numeric @attribute CATS2D_07_DA numeric @attribute CATS2D_07_DD numeric @attribute CATS2D_07_DL numeric @attribute CATS2D_07_DN numeric @attribute CATS2D_07_DP numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_07_NL numeric @attribute CATS2D_07_PL numeric @attribute CATS2D_08_AA numeric @attribute CATS2D_08_AL numeric @attribute CATS2D_08_AN numeric @attribute CATS2D_08_DA numeric @attribute CATS2D_08_DD numeric @attribute CATS2D_08_DL numeric @attribute CATS2D_08_DN numeric @attribute CATS2D_08_LL numeric @attribute CATS2D_08_NL numeric @attribute CATS2D_08_PL numeric @attribute CATS2D_08_PN numeric @attribute CATS2D_09_AA numeric @attribute CATS2D_09_AL numeric @attribute CATS2D_09_AN numeric @attribute CATS2D_09_AP numeric @attribute CATS2D_09_DA numeric @attribute CATS2D_09_DD numeric @attribute CATS2D_09_DL numeric @attribute CATS2D_09_DP numeric @attribute CATS2D_09_LL numeric @attribute CATS2D_09_NL numeric @attribute CATS2D_09_PL numeric @attribute CENT numeric @attribute Chi0_AEA.bo. numeric @attribute Chi0_AEA.dm. numeric @attribute Chi0_AEA.ed. numeric @attribute Chi0_AEA.ri. numeric @attribute Chi0_EA numeric @attribute Chi0_EA.bo. numeric @attribute Chi0_EA.dm. numeric @attribute Chi0_EA.ed. numeric @attribute Chi0_EA.ri. numeric @attribute Chi1_AEA.bo. numeric @attribute Chi1_AEA.dm. numeric @attribute Chi1_AEA.ed. numeric @attribute Chi1_AEA.ri. numeric @attribute Chi1_EA numeric @attribute Chi1_EA.bo. numeric @attribute Chi1_EA.dm. numeric @attribute Chi1_EA.ed. numeric @attribute Chi1_EA.ri. numeric @attribute CIC0 numeric @attribute CIC1 numeric @attribute CIC2 numeric @attribute CIC3 numeric @attribute CIC4 numeric @attribute CIC5 numeric @attribute CID numeric @attribute Cl.089 numeric @attribute CMC.50 numeric @attribute CMC.80 numeric @attribute cRo5 numeric @attribute CSI numeric @attribute DBI numeric @attribute D.Dtr05 numeric @attribute D.Dtr06 numeric @attribute D.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.ed. numeric @attribute Eig09_EA.ri. numeric @attribute Eig10_AEA.bo. numeric @attribute Eig10_AEA.dm. numeric @attribute Eig10_AEA.ed. numeric @attribute Eig10_AEA.ri. numeric @attribute Eig10_EA numeric @attribute Eig10_EA.bo. numeric @attribute Eig10_EA.ed. numeric @attribute Eig10_EA.ri. numeric @attribute Eig11_AEA.bo. numeric @attribute Eig11_AEA.dm. numeric @attribute Eig11_AEA.ed. numeric @attribute Eig11_AEA.ri. numeric @attribute Eig11_EA numeric @attribute Eig11_EA.bo. numeric @attribute Eig11_EA.ed. numeric @attribute Eig11_EA.ri. numeric @attribute Eig12_AEA.bo. numeric @attribute Eig12_AEA.dm. numeric @attribute Eig12_AEA.ed. numeric @attribute Eig12_AEA.ri. numeric @attribute Eig12_EA numeric @attribute Eig12_EA.bo. numeric @attribute Eig12_EA.ed. numeric @attribute Eig12_EA.ri. numeric @attribute Eig13_AEA.bo. numeric @attribute Eig13_AEA.dm. numeric @attribute Eig13_AEA.ed. numeric @attribute Eig13_AEA.ri. numeric @attribute Eig13_EA numeric @attribute Eig13_EA.bo. numeric @attribute Eig13_EA.ed. numeric @attribute Eig13_EA.ri. numeric @attribute Eig14_AEA.bo. numeric @attribute Eig14_AEA.dm. numeric @attribute Eig14_AEA.ed. numeric @attribute Eig14_AEA.ri. numeric @attribute Eig14_EA numeric @attribute Eig14_EA.bo. numeric @attribute Eig14_EA.ed. numeric @attribute Eig14_EA.ri. numeric @attribute Eig15_AEA.bo. numeric @attribute Eig15_AEA.dm. numeric @attribute Eig15_AEA.ed. numeric @attribute Eig15_AEA.ri. numeric @attribute Eig15_EA numeric @attribute Eig15_EA.bo. numeric @attribute Eig15_EA.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 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.050 numeric @attribute H.051 numeric @attribute H.052 numeric @attribute H.053 numeric @attribute HDcpx numeric @attribute HNar numeric @attribute HVcpx numeric @attribute Hy numeric @attribute Hypertens.50 numeric @attribute Hypertens.80 numeric @attribute Hypnotic.50 numeric @attribute Hypnotic.80 numeric @attribute IAC numeric @attribute IC0 numeric @attribute IC1 numeric @attribute IC2 numeric @attribute IC3 numeric @attribute IC4 numeric @attribute IC5 numeric @attribute ICR numeric @attribute IDDE numeric @attribute IDDM numeric @attribute IDE numeric @attribute IDET numeric @attribute IDM numeric @attribute IDMT numeric @attribute Infective.50 numeric @attribute Infective.80 numeric @attribute Inflammat.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.071 numeric @attribute N.072 numeric @attribute N.073 numeric @attribute NaaaC numeric @attribute NaaCH numeric @attribute NaaNH numeric @attribute NaasC numeric @attribute nAB numeric @attribute nArCONHR numeric @attribute nArNR2 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 nCp numeric @attribute nCrs numeric @attribute nCs numeric @attribute nCsp2 numeric @attribute nCsp3 numeric @attribute nCt numeric @attribute nDB numeric @attribute NddssS numeric @attribute NdO numeric @attribute NdssC numeric @attribute Neoplastic.50 numeric @attribute Neoplastic.80 numeric @attribute nH numeric @attribute nHAcc numeric @attribute nHDon numeric @attribute nHet numeric @attribute nHM numeric @attribute nN numeric @attribute NNRS numeric @attribute nO numeric @attribute nOHp numeric @attribute nOHs numeric @attribute nPyrroles numeric @attribute nR05 numeric @attribute nR06 numeric @attribute nR09 numeric @attribute nR10 numeric @attribute nRCONH2 numeric @attribute nRCONHR numeric @attribute nRCOOH numeric @attribute nRCOOR numeric @attribute nRCOSR numeric @attribute nRNH2 numeric @attribute nROCON numeric @attribute nROH numeric @attribute NRS numeric @attribute nRSR numeric @attribute nS numeric @attribute NsCH3 numeric @attribute NsCl numeric @attribute nSH numeric @attribute nSK numeric @attribute NsNH2 numeric @attribute nSO2N numeric @attribute NsOH numeric @attribute NssCH2 numeric @attribute NsSH numeric @attribute NssNH numeric @attribute NssO numeric @attribute NssS numeric @attribute NsssCH numeric @attribute NsssN numeric @attribute NssssC numeric @attribute nX numeric @attribute O. numeric @attribute O.056 numeric @attribute O.057 numeric @attribute O.058 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.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_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.106 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 SaaNH numeric @attribute SaasC numeric @attribute SAdon numeric @attribute SAtot numeric @attribute SCBO numeric @attribute SddssS numeric @attribute SdO numeric @attribute SdssC numeric @attribute Se numeric @attribute Si numeric @attribute SIC0 numeric @attribute SIC1 numeric @attribute SIC2 numeric @attribute SIC3 numeric @attribute SIC4 numeric @attribute SIC5 numeric @attribute SM02_AEA.bo. numeric @attribute SM02_AEA.dm. numeric @attribute SM02_AEA.ed. numeric @attribute SM02_AEA.ri. numeric @attribute SM02_EA numeric @attribute SM02_EA.bo. numeric @attribute SM02_EA.dm. numeric @attribute SM02_EA.ed. numeric @attribute SM02_EA.ri. numeric @attribute SM03_AEA.bo. numeric @attribute SM03_AEA.dm. numeric @attribute SM03_AEA.ed. numeric @attribute SM03_AEA.ri. numeric @attribute SM03_EA numeric @attribute SM03_EA.bo. numeric @attribute SM03_EA.dm. numeric @attribute SM03_EA.ed. numeric @attribute SM03_EA.ri. numeric @attribute SM04_AEA.bo. numeric @attribute SM04_AEA.dm. numeric @attribute SM04_AEA.ed. numeric @attribute SM04_AEA.ri. numeric @attribute SM04_EA numeric @attribute SM04_EA.bo. numeric @attribute SM04_EA.dm. numeric @attribute SM04_EA.ed. numeric @attribute SM04_EA.ri. numeric @attribute SM05_AEA.bo. numeric @attribute SM05_AEA.dm. numeric @attribute SM05_AEA.ed. numeric @attribute SM05_AEA.ri. numeric @attribute SM05_EA numeric @attribute SM05_EA.bo. numeric @attribute SM05_EA.dm. numeric @attribute SM05_EA.ed. numeric @attribute SM05_EA.ri. numeric @attribute SM06_AEA.bo. numeric @attribute SM06_AEA.dm. numeric @attribute SM06_AEA.ed. numeric @attribute SM06_AEA.ri. numeric @attribute SM06_EA numeric @attribute SM06_EA.bo. numeric @attribute SM06_EA.dm. numeric @attribute SM06_EA.ed. numeric @attribute SM06_EA.ri. numeric @attribute SM07_AEA.bo. numeric @attribute SM07_AEA.dm. numeric @attribute SM07_AEA.ed. numeric @attribute SM07_AEA.ri. numeric @attribute SM07_EA numeric @attribute SM07_EA.bo. numeric @attribute SM07_EA.dm. numeric @attribute SM07_EA.ed. numeric @attribute SM07_EA.ri. numeric @attribute SM08_AEA.bo. numeric @attribute SM08_AEA.dm. numeric @attribute SM08_AEA.ed. numeric @attribute SM08_AEA.ri. numeric @attribute SM08_EA numeric @attribute SM08_EA.bo. numeric @attribute SM08_EA.dm. numeric @attribute SM08_EA.ed. numeric @attribute SM08_EA.ri. numeric @attribute SM09_AEA.bo. numeric @attribute SM09_AEA.dm. numeric @attribute SM09_AEA.ed. numeric @attribute SM09_AEA.ri. numeric @attribute SM09_EA numeric @attribute SM09_EA.bo. numeric @attribute SM09_EA.dm. numeric @attribute SM09_EA.ed. numeric @attribute SM09_EA.ri. numeric @attribute SM10_AEA.bo. numeric @attribute SM10_AEA.dm. numeric @attribute SM10_AEA.ed. numeric @attribute SM10_AEA.ri. numeric @attribute SM10_EA numeric @attribute SM10_EA.bo. numeric @attribute SM10_EA.dm. numeric @attribute SM10_EA.ed. numeric @attribute SM10_EA.ri. numeric @attribute SM11_AEA.bo. numeric @attribute SM11_AEA.dm. numeric @attribute SM11_AEA.ed. numeric @attribute SM11_AEA.ri. numeric @attribute SM11_EA numeric @attribute SM11_EA.bo. numeric @attribute SM11_EA.dm. numeric @attribute SM11_EA.ed. numeric @attribute SM11_EA.ri. numeric @attribute SM12_AEA.bo. numeric @attribute SM12_AEA.dm. numeric @attribute SM12_AEA.ed. numeric @attribute SM12_AEA.ri. numeric @attribute SM12_EA numeric @attribute SM12_EA.bo. numeric @attribute SM12_EA.dm. numeric @attribute SM12_EA.ed. numeric @attribute SM12_EA.ri. numeric @attribute SM13_AEA.bo. numeric @attribute SM13_AEA.dm. numeric @attribute SM13_AEA.ed. numeric @attribute SM13_AEA.ri. numeric @attribute SM13_EA numeric @attribute SM13_EA.bo. numeric @attribute SM13_EA.dm. numeric @attribute SM13_EA.ed. numeric @attribute SM13_EA.ri. numeric @attribute SM14_AEA.bo. numeric @attribute SM14_AEA.dm. numeric @attribute SM14_AEA.ed. numeric @attribute SM14_AEA.ri. numeric @attribute SM14_EA numeric @attribute SM14_EA.bo. numeric @attribute SM14_EA.dm. numeric @attribute SM14_EA.ed. numeric @attribute SM14_EA.ri. numeric @attribute SM15_AEA.bo. numeric @attribute SM15_AEA.dm. numeric @attribute SM15_AEA.ed. numeric @attribute SM15_AEA.ri. numeric @attribute SM15_EA numeric @attribute SM15_EA.bo. numeric @attribute SM15_EA.dm. numeric @attribute SM15_EA.ed. numeric @attribute SM15_EA.ri. numeric @attribute SMTI numeric @attribute SMTIV numeric @attribute SNar numeric @attribute Sp numeric @attribute SpAD_AEA.bo. numeric @attribute SpAD_AEA.dm. numeric @attribute SpAD_AEA.ed. numeric @attribute SpAD_AEA.ri. numeric @attribute SpAD_EA numeric @attribute SpAD_EA.bo. numeric @attribute SpAD_EA.dm. numeric @attribute SpAD_EA.ed. numeric @attribute SpAD_EA.ri. numeric @attribute SpDiam_AEA.bo. numeric @attribute SpDiam_AEA.dm. numeric @attribute SpDiam_AEA.ed. numeric @attribute SpDiam_AEA.ri. numeric @attribute SpDiam_EA numeric @attribute SpDiam_EA.bo. numeric @attribute SpDiam_EA.dm. numeric @attribute SpDiam_EA.ed. numeric @attribute SpDiam_EA.ri. numeric @attribute SPI numeric @attribute SpMAD_AEA.bo. numeric @attribute SpMAD_AEA.dm. numeric @attribute SpMAD_AEA.ed. numeric @attribute SpMAD_AEA.ri. numeric @attribute SpMAD_EA numeric @attribute SpMAD_EA.bo. numeric @attribute SpMAD_EA.dm. numeric @attribute SpMAD_EA.ed. numeric @attribute SpMAD_EA.ri. numeric @attribute SpMax1_Bh.e. numeric @attribute SpMax1_Bh.i. numeric @attribute SpMax1_Bh.m. numeric @attribute SpMax1_Bh.p. numeric @attribute SpMax1_Bh.s. numeric @attribute SpMax1_Bh.v. numeric @attribute SpMax2_Bh.e. numeric @attribute SpMax2_Bh.i. numeric @attribute SpMax2_Bh.m. numeric @attribute SpMax2_Bh.p. numeric @attribute SpMax2_Bh.s. numeric @attribute SpMax2_Bh.v. numeric @attribute SpMax3_Bh.e. numeric @attribute SpMax3_Bh.i. numeric @attribute SpMax3_Bh.m. numeric @attribute SpMax3_Bh.p. numeric @attribute SpMax3_Bh.s. numeric @attribute SpMax3_Bh.v. numeric @attribute SpMax4_Bh.e. numeric @attribute SpMax4_Bh.i. numeric @attribute SpMax4_Bh.m. numeric @attribute SpMax4_Bh.p. numeric @attribute SpMax4_Bh.s. numeric @attribute SpMax4_Bh.v. numeric @attribute SpMax5_Bh.e. numeric @attribute SpMax5_Bh.i. numeric @attribute SpMax5_Bh.m. numeric @attribute SpMax5_Bh.p. numeric @attribute SpMax5_Bh.s. numeric @attribute SpMax5_Bh.v. numeric @attribute SpMax6_Bh.e. numeric @attribute SpMax6_Bh.i. numeric @attribute SpMax6_Bh.m. numeric @attribute SpMax6_Bh.p. numeric @attribute SpMax6_Bh.s. numeric @attribute SpMax6_Bh.v. numeric @attribute SpMax7_Bh.e. numeric @attribute SpMax7_Bh.i. numeric @attribute SpMax7_Bh.m. numeric @attribute SpMax7_Bh.p. numeric @attribute SpMax7_Bh.s. numeric @attribute SpMax7_Bh.v. numeric @attribute SpMax8_Bh.e. numeric @attribute SpMax8_Bh.i. numeric @attribute SpMax8_Bh.m. numeric @attribute SpMax8_Bh.p. numeric @attribute SpMax8_Bh.s. numeric @attribute SpMax8_Bh.v. numeric @attribute SpMaxA_AEA.bo. numeric @attribute SpMaxA_AEA.dm. numeric @attribute SpMaxA_AEA.ed. numeric @attribute SpMaxA_AEA.ri. numeric @attribute SpMaxA_EA numeric @attribute SpMax_AEA.bo. numeric @attribute SpMaxA_EA.bo. numeric @attribute SpMax_AEA.dm. numeric @attribute SpMaxA_EA.dm. numeric @attribute SpMax_AEA.ed. numeric @attribute SpMaxA_EA.ed. numeric @attribute SpMax_AEA.ri. numeric @attribute SpMaxA_EA.ri. numeric @attribute SpMax_EA numeric @attribute SpMax_EA.bo. numeric @attribute SpMax_EA.dm. numeric @attribute SpMax_EA.ed. numeric @attribute SpMax_EA.ri. numeric @attribute SpMin1_Bh.e. numeric @attribute SpMin1_Bh.i. numeric @attribute SpMin1_Bh.m. numeric @attribute SpMin1_Bh.p. numeric @attribute SpMin1_Bh.s. numeric @attribute SpMin1_Bh.v. numeric @attribute SpMin2_Bh.e. numeric @attribute SpMin2_Bh.i. numeric @attribute SpMin2_Bh.m. numeric @attribute SpMin2_Bh.p. numeric @attribute SpMin2_Bh.s. numeric @attribute SpMin2_Bh.v. numeric @attribute SpMin3_Bh.e. numeric @attribute SpMin3_Bh.i. numeric @attribute SpMin3_Bh.m. numeric @attribute SpMin3_Bh.p. numeric @attribute SpMin3_Bh.s. numeric @attribute SpMin3_Bh.v. numeric @attribute SpMin4_Bh.e. numeric @attribute SpMin4_Bh.i. numeric @attribute SpMin4_Bh.m. numeric @attribute SpMin4_Bh.p. numeric @attribute SpMin4_Bh.s. numeric @attribute SpMin4_Bh.v. numeric @attribute SpMin5_Bh.e. numeric @attribute SpMin5_Bh.i. numeric @attribute SpMin5_Bh.m. numeric @attribute SpMin5_Bh.p. numeric @attribute SpMin5_Bh.s. numeric @attribute SpMin5_Bh.v. numeric @attribute SpMin6_Bh.e. numeric @attribute SpMin6_Bh.i. numeric @attribute SpMin6_Bh.m. numeric @attribute SpMin6_Bh.p. numeric @attribute SpMin6_Bh.s. numeric @attribute SpMin6_Bh.v. numeric @attribute SpMin7_Bh.e. numeric @attribute SpMin7_Bh.i. numeric @attribute SpMin7_Bh.m. numeric @attribute SpMin7_Bh.p. numeric @attribute SpMin7_Bh.s. numeric @attribute SpMin7_Bh.v. numeric @attribute SpMin8_Bh.e. numeric @attribute SpMin8_Bh.i. numeric @attribute SpMin8_Bh.m. numeric @attribute SpMin8_Bh.p. numeric @attribute SpMin8_Bh.s. numeric @attribute SpMin8_Bh.v. numeric @attribute SRW02 numeric @attribute SRW04 numeric @attribute SRW05 numeric @attribute SRW06 numeric @attribute SRW07 numeric @attribute SRW08 numeric @attribute SRW09 numeric @attribute SRW10 numeric @attribute SsCH3 numeric @attribute SsCl numeric @attribute SsNH2 numeric @attribute SsOH numeric @attribute SssCH2 numeric @attribute SsSH numeric @attribute SssNH numeric @attribute SssO numeric @attribute SssS numeric @attribute SsssCH numeric @attribute SsssN numeric @attribute SssssC numeric @attribute Sv numeric @attribute TIC0 numeric @attribute TIC1 numeric @attribute TIC2 numeric @attribute TIC3 numeric @attribute TIC4 numeric @attribute TIC5 numeric @attribute TIE numeric @attribute TPC numeric @attribute TPSA.NO. numeric @attribute TPSA.Tot. numeric @attribute TRS numeric @attribute TWC numeric @attribute Uc numeric @attribute Ui numeric @attribute Uindex numeric @attribute UNIP numeric @attribute VAR numeric @attribute Vindex numeric @attribute VvdwMG numeric @attribute VvdwZAZ numeric @attribute Vx numeric @attribute Wap numeric @attribute X. numeric @attribute X0 numeric @attribute X0A numeric @attribute X0Av numeric @attribute X0sol numeric @attribute X0v numeric @attribute X1 numeric @attribute X1A numeric @attribute X1Av numeric @attribute X1Kup numeric @attribute X1Mad numeric @attribute X1MulPer numeric @attribute X1Per numeric @attribute X1sol numeric @attribute X1v numeric @attribute X2 numeric @attribute X2A numeric @attribute X2Av numeric @attribute X2sol numeric @attribute X2v numeric @attribute X3 numeric @attribute X3A numeric @attribute X3Av numeric @attribute X3sol numeric @attribute X3v numeric @attribute X4 numeric @attribute X4A numeric @attribute X4Av numeric @attribute X4sol numeric @attribute X4v numeric @attribute X5 numeric @attribute X5A numeric @attribute X5Av numeric @attribute X5sol numeric @attribute X5v numeric @attribute Xindex numeric @attribute XMOD numeric @attribute Xt numeric @attribute Xu numeric @attribute Yindex numeric @attribute ZM1 numeric @attribute ZM1Kup numeric @attribute ZM1Mad numeric @attribute ZM1MulPer numeric @attribute ZM1Per numeric @attribute ZM1V numeric @attribute ZM2 numeric @attribute ZM2Kup numeric @attribute ZM2Mad numeric @attribute ZM2MulPer numeric @attribute ZM2Per numeric @attribute ZM2V numeric @attribute pXC50 numeric @data {1 1.608,2 10.88,3 2.215,4 4.908,5 98.243,6 7.187,7 0.24,8 3.974,9 4.097,10 3.467,11 3.485,12 5.099,13 3.427,14 4.508,15 4.691,16 3.766,17 3.84,18 5.661,19 3.743,20 4.841,21 5.069,22 3.847,23 3.979,24 5.931,25 3.865,26 4.929,27 5.173,28 3.895,29 3.96,30 6.065,31 3.865,32 4.887,33 5.103,34 3.994,35 3.92,36 6.339,37 3.842,38 4.837,39 5.056,40 3.8,41 3.901,42 6.041,43 3.796,44 4.849,45 5.097,46 3.751,47 3.911,48 5.944,49 3.78,50 4.85,51 5.102,52 3.708,53 3.896,54 6.084,55 3.727,56 0.057,57 0.697,58 12.075,59 5.099,60 15.527,61 6.599,62 0.292,63 1.081,64 21.897,65 8.251,66 59.722,67 11.196,68 0.522,69 1.344,70 31.899,71 10.274,72 89.452,73 14.228,74 0.55,75 1.38,76 35.884,77 9.921,78 102.179,79 14.083,80 0.888,81 1.284,82 36.109,83 9.902,84 191.584,85 13.295,86 0.657,87 1.239,88 33.069,89 9.716,90 129.75,91 13.032,92 0.439,93 1.261,94 33.049,95 10.21,96 88.651,97 14.143,98 0.707,99 1.211,100 35.173,101 11.063,102 151.843,103 14.426,104 68,105 32,106 0.276,107 0.605,108 0.785,109 0.844,110 0.86,111 0.86,112 3.266,113 1.074,114 -3.15,115 -3.14,116 -3.02,117 35.3,118 2,119 3,120 1,122 1,123 2,125 5,126 1,129 3,134 1,135 1,136 10,139 1,141 3,142 3,143 1,144 10,145 1,148 3,150 2,151 2,152 5,155 7,160 5,161 1,164 3,167 4,172 2,173 5,176 2,178 4,179 1,181 5,182 1,185 4,188 1,189 1,190 4,193 5,194 2,197 5,198 1,201 4,204 5,205 1,207 1,208 3,210 1,212 3,214 7,215 1,219 3,224 3,226 6,227 1,229 1054,230 16.181,231 16.181,232 16.181,233 16.181,234 16.181,235 14.963,236 13.766,237 9.912,238 16.298,239 12.268,240 12.268,241 12.268,242 12.268,243 12.268,244 10.388,245 11.451,246 4.596,247 12.437,248 4.064,249 2.146,250 1.096,251 0.75,252 0.657,253 0.657,254 3.906,256 1,257 1,258 1,259 533,260 4.95,262 106.557,265 1.725,266 37.629,267 1,268 1,269 0.83,270 0.83,271 1,272 1,273 1,274 1,275 0.95,276 55,277 272,278 4.107,279 3.841,280 6.373,281 3.959,282 2.973,283 3.448,284 2.376,285 9.588,286 2.922,287 3.908,288 3.694,289 5.906,290 3.66,291 2.676,292 3.259,293 1.969,294 8.121,295 2.619,296 3.831,297 3.526,298 5.36,299 3.54,300 2.538,301 2.983,302 1.891,303 7.015,304 2.54,305 3.541,306 3.282,307 4.964,308 3.212,309 2.189,310 2.713,311 0.351,312 5.841,313 2.224,314 3.032,315 2.699,316 4.656,317 2.813,318 1.799,319 2.084,320 0.144,321 4.562,322 1.81,323 2.912,324 2.438,325 3.796,326 2.49,327 1.49,328 2.029,330 3.143,331 1.49,332 2.612,333 2.067,334 3.64,335 2.372,336 1.407,337 1.557,339 2.956,340 1.333,341 2.5,342 1.61,343 3.409,344 2,345 1,346 1.5,348 2.136,349 1,350 1.956,351 1.263,352 3.247,353 1.833,354 0.895,355 0.929,356 2.035,357 0.83,358 1.849,359 1,360 3.028,361 1.622,362 0.664,363 0.739,364 1.317,365 0.621,366 1.696,367 0.997,368 2.715,369 1.393,370 0.379,371 0.449,372 0.826,373 0.377,374 0.809,375 0.588,376 2.282,377 0.529,378 -0.394,379 -0.424,380 -0.711,381 -0.35,382 0.792,383 0.466,384 1.958,385 0.43,386 -0.579,387 -0.697,388 -1.307,389 -0.579,390 0.561,391 0.24,392 1.675,393 0.253,394 -0.801,395 -0.991,396 -2,397 -0.82,398 0.5,399 -0.079,400 1.571,401 0.032,402 -1,403 -1,405 -2,406 -0.914,407 11.967,408 0.479,409 0.655,410 0.026,411 25,412 1,413 10.5,414 0.42,415 14.5,416 0.58,417 26.172,418 1.047,419 29.433,420 0.577,421 19.135,422 0.765,423 4.547,424 0.182,425 7.299,426 0.292,427 0.265,429 0.292,430 0.747,431 1.319,432 0.941,433 1.156,434 0.656,435 1.1,436 0.452,437 1.321,438 0.92,439 1.198,440 0.474,441 1.175,442 0.894,443 1.066,444 0.938,445 0.993,446 0.956,447 1.053,448 1.312,449 0.961,450 0.905,451 0.841,452 1.229,453 0.89,454 1.252,455 0.975,456 0.919,457 0.92,458 1.247,459 0.922,460 1.442,461 0.968,462 1.03,463 0.915,464 1.526,465 1.016,466 1.084,467 0.978,468 0.885,469 0.926,470 1.042,471 0.971,472 1.077,473 0.833,474 0.989,475 0.869,476 1.074,477 0.924,478 5.5,479 0.124,480 2.667,481 1.563,482 1.511,483 0.701,484 0.531,485 0.477,486 0.202,487 0.129,488 6343,489 20007,490 1.845,491 51,492 8,493 9,494 4,495 2,496 1,497 2,498 1.682,499 1.685,500 3.393,501 1.776,502 1,503 1,506 82.024,507 1.608,508 3.526,509 4.577,510 4.922,511 5.015,512 5.015,513 2.835,514 4.164,515 4.614,516 3.577,517 1073.2,518 7.991,519 13600.1,521 1,522 1,523 289.294,524 1.55,525 4.538,526 0.22,527 0.009,528 0.083,529 0.047,530 0.046,531 0.021,532 0.018,533 0.017,534 0.008,535 0.007,536 0.476,537 0.33,538 1,539 2.739,540 122.331,541 -0.08,542 -0.04,543 -0.063,544 -0.02,545 -0.063,547 0.217,548 -0.171,549 -0.044,550 -0.155,551 0.138,552 -0.125,553 0.033,554 -0.035,555 -0.062,556 -0.075,557 -0.069,558 -0.084,559 -0.164,560 0.018,562 0.018,563 -0.125,564 0.029,565 0.125,566 -0.003,567 0.061,568 -0.011,569 0.187,571 -0.155,572 0.004,573 -0.108,574 -0.019,575 -0.173,576 -0.084,577 -0.094,578 -0.031,579 0.007,580 -0.022,581 -0.056,582 -0.01,583 0.023,584 0.072,585 0.016,586 0.101,587 0.055,588 0.044,589 2.777,590 5.37,591 0.24,592 22.979,593 1.004,594 1.132,595 1.921,596 3.689,597 0.639,598 3.258,599 3.497,600 3.611,601 3.714,602 3.784,603 3.555,604 3.555,605 3.497,606 3.332,607 3.219,608 6.511,609 0.596,610 366.53,611 3.258,612 4.745,613 5.525,614 6.351,615 7.155,616 7.981,617 8.795,618 9.62,619 10.438,620 11.264,621 3.9,625 2,628 5,630 1,631 6,637 51,638 9,639 1,640 25,641 51,642 18,643 6,644 1,645 5,647 1,648 1,650 3,652 5,653 9,654 9,655 1,656 3,658 3,659 3,660 1,661 1,662 26,663 6,664 3,665 7,666 1,667 2,668 1,669 4,674 1,678 2,679 1,684 1,685 1,687 1,688 2,690 1,691 25,694 1,695 4,696 1,697 2,700 3,704 7.8,706 1,707 3,709 14.833,710 9.067,711 5.833,712 3.039,713 1.065,714 1.175,715 0.869,716 9.612,717 7.143,718 3.466,719 3.861,720 4.123,721 4.426,722 4.77,723 4.338,724 4.42,725 4.557,726 4.651,727 4.451,728 1,729 33,730 9.353,731 3.879,732 8.136,733 17.276,734 13.442,735 2.636,736 65.889,739 269.783,740 125.603,741 36.022,743 118.118,744 38.564,745 87.04,746 387.901,747 36.022,748 17.65,749 44.525,750 47.381,751 139.256,752 3.186,754 297.528,756 269.783,757 123.061,758 118.118,759 38.564,760 234.469,761 153.431,763 62.175,764 60.886,766 38.564,767 269.783,768 154.14,769 125.603,771 269.783,772 22.008,773 65.032,774 36.022,775 156.682,776 269.783,777 154.14,778 125.603,779 0.563,780 0.312,781 0.158,782 0.085,783 10,784 7,785 0.196,786 10,788 1,789 3.581,790 177.689,792 6,793 110.096,794 1,797 21.523,798 11.165,799 7.931,801 154.14,802 9.603,804 1.044,805 78.705,806 549.526,807 31,809 35.694,810 -1.837,811 51.192,812 57.737,813 0.284,814 0.622,815 0.807,816 0.868,817 0.884,818 0.884,819 4.668,820 1,821 5.493,822 2.956,823 4.174,824 4.543,825 3.124,826 6.213,827 4.151,828 5.812,829 0.895,830 7.011,831 2.136,832 3.761,833 4.227,834 2.848,835 7.013,836 3.75,837 7.066,838 0.664,839 8.632,840 2.035,841 5.68,842 6.422,843 4.347,844 10.022,845 5.633,846 8.346,847 0.379,848 10.313,849 1.317,850 6.043,851 6.806,852 4.665,853 11.629,854 5.999,855 9.653,856 -0.394,857 12.031,858 0.826,859 7.465,860 8.565,861 5.772,862 14.157,863 7.389,864 10.978,865 -0.579,866 13.774,867 -0.711,868 8.181,869 9.245,870 6.354,871 16.106,872 8.098,873 12.315,874 -0.801,875 15.536,876 -1.307,877 9.395,878 10.83,879 7.306,880 18.458,881 9.286,882 2.973,883 -1,884 17.312,885 -2,886 10.284,887 11.662,888 8.019,889 20.564,890 10.162,891 2.676,892 9.588,893 19.099,894 -2,895 11.409,896 13.156,897 8.908,898 22.848,899 11.263,900 2.538,901 8.121,902 20.895,903 3.448,904 12.385,905 14.08,906 9.689,907 25.028,908 12.222,909 2.189,910 7.015,911 22.697,912 3.259,913 13.471,914 15.517,915 10.553,916 27.289,917 13.287,918 1.799,919 5.841,920 24.506,921 2.983,922 14.492,923 16.504,924 11.371,925 29.505,926 14.289,927 1.49,928 4.562,929 26.319,930 2.713,931 15.565,932 17.899,933 12.228,934 31.759,935 15.342,936 1.407,937 3.143,938 28.137,939 2.084,940 16.609,941 18.936,942 13.065,943 33.993,944 16.367,945 6710,946 12014,947 15.315,948 32.614,949 36.611,950 39.343,951 37.868,952 36.05,953 36.021,954 43.379,955 13.463,956 95.078,957 35.531,958 5.064,959 5.841,960 6.175,961 4.983,962 4.973,963 6.448,964 3.99,965 16.119,966 4.922,967 16.69,968 1.464,969 1.574,970 1.515,971 1.442,972 1.441,973 1.735,974 0.539,975 3.803,976 1.421,977 3.941,978 3.978,979 3.867,980 3.87,981 7.474,982 3.862,983 3.84,984 3.883,985 3.798,986 3.682,987 7.432,988 3.688,989 3.685,990 3.731,991 3.689,992 3.546,993 7.423,994 3.528,995 3.529,996 3.58,997 3.48,998 3.371,999 6.351,1000 3.369,1001 3.296,1002 3.353,1003 3.392,1004 3.137,1005 4.751,1006 3.094,1007 3.213,1008 3.232,1009 3.128,1010 2.97,1011 4.335,1012 2.977,1013 3.04,1014 3.079,1015 2.926,1016 2.798,1017 4.263,1018 2.828,1019 2.874,1020 3.009,1021 2.731,1022 2.735,1023 3.959,1024 2.715,1025 0.164,1026 0.154,1027 0.255,1028 0.158,1029 0.119,1030 4.107,1031 0.138,1032 3.841,1033 0.095,1034 6.373,1035 0.384,1036 3.959,1037 0.117,1038 2.973,1039 3.448,1040 2.376,1041 9.588,1042 2.922,1043 1.924,1044 1.894,1045 2.061,1046 2.021,1047 1.267,1048 2.034,1049 1.782,1050 1.734,1051 1.981,1052 1.968,1053 1.225,1054 1.971,1055 1.653,1056 1.606,1057 1.853,1058 1.842,1059 1.18,1060 1.854,1061 1.51,1062 1.459,1063 1.741,1064 1.706,1065 0.902,1066 1.719,1067 1.24,1068 1.186,1069 1.467,1070 1.486,1071 0.598,1072 1.503,1073 1.096,1074 1.063,1075 1.417,1076 1.392,1077 0.469,1078 1.373,1079 0.934,1080 0.897,1081 1.304,1082 1.239,1083 0.467,1084 1.308,1085 0.925,1086 0.821,1087 1.181,1088 1.238,1089 0.274,1090 1.194,1091 3.932,1092 5.187,1094 6.616,1096 8.123,1098 9.67,1099 3.603,1102 9.13,1103 1.403,1104 4.003,1105 5.186,1108 -1.941,1111 30.411,1112 82.024,1113 179.833,1114 233.419,1115 251.029,1116 255.784,1117 255.784,1118 114.352,1119 6.078,1120 95.5,1121 134.3,1122 6,1123 11.842,1124 3.322,1125 2.807,1126 71.544,1127 94,1128 98,1129 0.358,1130 199.179,1131 356.53,1132 477.757,1133 2794,1135 18.82,1136 0.753,1137 0.618,1138 19.32,1139 15.461,1140 11.845,1141 0.474,1142 0.358,1143 8.283,1144 11.129,1145 7.976,1146 6.678,1147 12.199,1148 8.953,1149 10.336,1150 0.323,1151 0.207,1152 10.586,1153 6.634,1154 7.331,1155 0.204,1156 0.112,1157 7.475,1158 4.04,1159 5.487,1160 0.137,1161 0.065,1162 5.672,1163 2.589,1164 4.159,1165 0.097,1166 0.037,1167 4.384,1168 1.574,1169 0.565,1170 77.734,1171 0.256,1172 24.62,1173 0.969,1174 114,1175 380.12,1176 136.435,1177 375.17,1178 472.35,1179 344,1180 125,1181 302.121,1182 141.511,1183 306.553,1184 436.75,1185 287,1186 6.796} {0 CHEMBL137827,1 1.568,2 10.607,3 3.124,4 9.76,5 110.69,6 7.626,7 0.4,8 4.02,9 4.132,10 3.639,11 3.638,12 5.107,13 3.576,14 4.56,15 4.715,16 3.981,17 4.02,18 5.623,19 3.922,20 4.866,21 5.086,22 3.911,23 4.07,24 5.917,25 3.953,26 4.844,27 5.07,28 3.821,29 3.978,30 5.938,31 3.876,32 4.797,33 5.013,34 4.01,35 3.962,36 6.118,37 3.892,38 4.84,39 5.055,40 3.977,41 4.002,42 6.02,43 3.926,44 4.848,45 5.058,46 3.937,47 4.059,48 5.998,49 3.955,50 4.804,51 5.009,52 3.998,53 4.084,54 6.001,55 3.961,56 0.02,57 0.714,58 10.833,59 5.187,60 8.31,61 6.483,62 0.176,63 1.191,64 22.5,65 9.203,66 27.541,67 11.522,68 0.411,69 1.508,70 32.593,71 11.377,72 67.048,73 14.838,74 0.392,75 1.401,76 31.05,77 10.628,78 79.418,79 13.563,80 0.492,81 1.351,82 29.312,83 10.17,84 112.695,85 13.249,86 0.431,87 1.442,88 31.289,89 10.125,90 81.809,91 12.914,92 0.403,93 1.425,94 33.054,95 11.403,96 80.787,97 13.812,98 0.344,99 1.359,100 29.896,101 11.67,102 85.016,103 14.618,104 10,105 39,106 0.262,107 0.539,108 0.676,109 0.782,110 0.819,111 0.844,112 3.374,113 1.044,114 -3.39,115 -3.37,116 -3.22,117 42.3,119 4,122 1,123 2,125 10,126 2,129 3,136 15,139 2,141 2,142 3,144 18,148 3,150 2,151 1,152 4,155 12,160 4,164 4,167 5,172 2,173 7,176 1,178 8,181 4,185 8,188 1,190 7,193 6,197 7,201 3,204 11,207 1,208 7,212 2,214 15,219 5,224 2,226 15,229 1542,230 18.982,231 18.982,232 18.982,233 18.982,234 18.982,235 17.065,236 16.016,237 11.66,238 19.233,239 14.838,240 14.838,241 14.838,242 14.838,243 14.838,244 11.933,245 12.402,246 5.61,247 15.168,248 4.133,249 2.48,250 1.658,251 1.029,252 0.808,253 0.654,254 4.056,257 1,258 1,259 630,260 4,261 95.567,262 224.781,265 1.592,266 33.45,268 1,269 1,270 1,271 1,272 0.5,273 1,274 1,275 0.93,276 60,277 297,278 4.106,279 4.734,280 6.178,281 3.913,282 2.938,283 3.475,284 4.573,285 9.146,286 2.863,287 3.945,288 3.773,289 5.951,290 3.705,291 2.737,292 3.447,293 1.971,294 8.382,295 2.628,296 3.906,297 3.537,298 5.361,299 3.545,300 2.543,301 3.22,302 1.891,303 7.022,304 2.547,305 3.772,306 3.157,307 5.291,308 3.399,309 2.401,310 3.009,311 0.775,312 6.76,313 2.39,314 3.533,315 2.735,316 4.966,317 3.187,318 2.166,319 2.709,320 0.292,321 5.824,322 2.196,323 2.934,324 2.697,325 4.256,326 2.537,327 1.555,328 2.091,329 0.053,330 3.933,331 1.525,332 2.912,333 2.252,334 3.82,335 2.485,336 1.484,337 2.076,339 3.132,340 1.484,341 2.594,342 1.991,343 3.628,344 2.288,345 1.335,346 1.546,348 3.101,349 1.249,350 2.5,351 1.61,352 3.534,353 2.101,354 1.13,355 1.5,356 2.608,357 1.077,358 2.5,359 1.491,360 3.399,361 2,362 1,363 1.5,364 2.267,365 1,366 2.355,367 1.442,368 3.247,369 2,370 1,371 1.256,372 2.136,373 1,374 2.118,375 1.007,376 3.247,377 1.872,378 0.943,379 1.052,380 2.136,381 0.845,382 1.776,383 1,384 3.039,385 1.553,386 0.542,387 0.628,388 1.253,389 0.544,390 1.137,391 1,392 2.688,393 0.875,394 -0.118,395 -0.137,396 -0.303,397 -0.116,398 1,399 0.562,400 2.52,401 0.687,402 -0.276,403 -0.319,405 -0.659,406 -0.259,407 13.633,408 0.487,409 0.558,410 0.02,411 33.25,412 1.188,413 16.5,414 0.589,415 16.75,416 0.598,417 24.851,418 0.888,419 30.167,420 0.58,421 24.739,422 0.884,423 6.306,424 0.225,425 7.308,426 0.261,427 0.073,429 0.257,430 0.622,431 1.095,432 0.773,433 0.932,434 0.515,435 0.928,436 0.527,437 1.267,438 1.031,439 1.235,440 0.553,441 1.153,442 0.984,443 1.08,444 1.046,445 1.066,446 1.012,447 1.078,448 1.499,449 0.971,450 0.958,451 0.862,452 1.494,453 0.957,454 0.973,455 1.084,456 0.691,457 0.888,458 0.977,459 0.88,460 1.5,461 1.011,462 0.942,463 0.865,464 1.424,465 0.9,466 1.545,467 0.89,468 1.124,469 0.924,470 1.512,471 0.931,472 0.939,473 0.973,474 0.864,475 0.978,476 1.002,477 1.005,478 5,479 0.104,480 2.444,481 1.319,482 1.297,483 0.708,484 0.5,485 0.47,486 0.261,487 0.16,488 9915,489 27088,490 2.055,491 46.2,492 2,493 14,494 2,495 2,496 2,497 2,498 1.716,499 1.953,500 3.372,501 0.212,502 1,503 1,506 81.521,507 1.568,508 3.22,509 4.042,510 4.671,511 4.893,512 5.047,513 2.727,514 4.28,515 4.778,516 3.573,517 1350.58,518 8.339,519 18686.9,521 1,522 1,523 296.423,524 1.255,525 4.752,526 0.167,527 0.004,528 0.063,529 0.037,530 0.039,531 0.018,532 0.013,533 0.013,534 0.007,535 0.005,536 0.366,537 0.33,538 1,539 0.517,540 141.53,541 -0.038,542 0.033,543 0.048,544 0.069,545 -0.017,546 0.049,547 0.144,548 -0.177,549 -0.056,550 -0.187,551 0.029,552 -0.164,553 0.022,554 -0.067,555 -0.113,556 -0.135,557 -0.074,558 -0.124,559 -0.203,560 -0.003,561 -0.082,562 0.004,563 -0.182,564 -0.03,565 0.271,566 -0.11,567 0.183,568 -0.014,569 0.278,570 0.054,571 -0.134,572 0.008,573 -0.015,574 0.017,575 -0.095,576 0.012,577 -0.225,578 0.105,579 -0.109,580 0.045,581 -0.151,582 0.015,583 0.072,584 -0.022,585 0.073,587 0.091,588 -0.018,589 2.038,590 5.772,591 0.607,592 27.643,593 1,594 1.118,595 2.157,596 4.654,597 0.681,598 3.434,599 3.689,600 3.871,601 4.043,602 4.159,603 4.043,604 4.127,605 4.22,606 4.22,607 4.19,608 6.725,609 0.638,610 396.55,611 3.434,612 4.934,613 5.74,614 6.572,615 7.393,616 8.228,617 9.056,618 9.892,619 10.724,620 11.561,621 3.8,625 2,628 10,630 2,631 12,637 52,638 15,639 2,640 30,641 54,642 22,643 12,644 2,645 10,647 3,648 3,651 2,652 6,653 15,654 7,656 3,658 3,659 3,661 1,662 24,663 5,664 2,665 6,666 1,667 2,668 1,669 3,673 1,674 2,678 2,681 1,685 3,687 1,691 28,695 5,697 2,699 1,700 2,704 5.8,707 3,709 14.333,710 8.917,711 6.306,712 3.139,713 1.59,714 1.235,715 0.955,716 7.553,717 8.342,718 3.689,719 4.143,720 4.516,721 4.892,722 5.305,723 5.006,724 5.179,725 5.437,726 5.599,727 5.548,728 0.857,729 36,730 10.477,731 4.48,732 7.869,733 19.896,734 16.306,735 2.369,736 66.333,738 1,739 258.964,740 157.299,741 36.022,743 75.435,744 32.22,745 125.079,746 334.399,747 36.022,749 47.059,750 94.762,751 88.343,752 6.371,754 291.184,756 258.964,757 161.101,758 75.435,759 32.22,760 211.88,761 122.519,763 47.059,764 114.042,766 32.22,767 258.964,768 111.456,769 157.299,771 258.964,772 62.536,773 94.762,774 36.022,775 75.435,776 258.964,777 111.456,778 157.299,779 0.566,780 0.318,781 0.164,782 0.087,783 16,784 7,785 0.148,786 8,788 1,789 4.065,790 225.116,792 17,793 126.606,795 1,797 20.474,798 10.33,799 6.403,801 111.456,802 19.329,804 2.036,805 36.022,806 527.719,807 39,809 37.066,810 -0.493,811 51.982,812 58.112,813 0.275,814 0.565,815 0.709,816 0.819,817 0.858,818 0.885,819 4.89,820 1.335,821 5.68,822 3.132,823 4.369,824 4.828,825 3.971,826 6.385,827 4.331,828 6.032,829 1.13,830 7.172,831 3.101,832 3.761,833 4.331,834 3.63,835 7.05,836 3.733,837 7.283,838 1,839 8.762,840 2.608,841 5.861,842 6.775,843 6.606,844 10.107,845 5.786,846 8.56,847 1,848 10.411,849 2.267,850 6.089,851 7.016,852 6.898,853 11.614,854 6.005,855 9.867,856 0.943,857 12.098,858 2.136,859 7.612,860 8.965,861 9.51,862 14.141,863 7.496,864 11.191,865 0.542,866 13.811,867 2.136,868 8.238,869 9.539,870 10.129,871 16.003,872 8.096,873 12.529,874 -0.118,875 15.543,876 1.253,877 9.504,878 11.267,879 12.468,880 18.33,881 9.336,882 2.938,883 -0.276,884 17.288,885 -0.303,886 10.331,887 12.022,888 13.308,889 20.358,890 10.131,891 2.737,892 9.146,893 19.044,894 -0.659,895 11.476,896 13.623,897 15.445,898 22.605,899 11.252,900 2.543,901 8.382,902 20.808,903 3.475,904 12.409,905 14.495,906 16.446,907 24.715,908 12.15,909 2.401,910 7.022,911 22.579,912 3.447,913 13.499,914 16.011,915 18.435,916 26.93,917 13.215,918 2.166,919 6.76,920 24.355,921 3.22,922 14.488,923 16.966,924 19.556,925 29.082,926 14.169,927 1.555,928 5.824,929 26.136,930 3.009,931 15.555,932 18.418,933 21.435,934 31.284,935 15.21,936 1.484,937 3.933,938 27.92,939 2.709,940 16.574,941 19.437,942 22.648,943 33.458,944 16.196,945 9587,946 15982,947 20.167,948 35.398,949 44.104,950 47.957,951 44.411,952 43.518,953 43.548,954 55.019,955 19.11,956 115.399,957 42.697,958 5.092,959 6.734,960 5.98,961 5.003,962 4.938,963 6.475,964 8.592,965 15.601,966 4.863,967 11.533,968 1.47,969 1.599,970 1.48,971 1.451,972 1.452,973 1.834,974 0.637,975 3.847,976 1.423,977 3.97,978 4.005,979 4.026,980 3.893,981 7.436,982 3.886,983 3.904,984 3.936,985 3.874,986 3.848,987 7.425,988 3.839,989 3.814,990 3.846,991 3.827,992 3.734,993 7.422,994 3.692,995 3.656,996 3.696,997 3.613,998 3.487,999 4.763,1000 3.497,1001 3.45,1002 3.492,1003 3.384,1004 3.302,1005 4.739,1006 3.299,1007 3.088,1008 3.155,1009 3.033,1010 2.885,1011 4.209,1012 2.884,1013 3.023,1014 3.079,1015 2.896,1016 2.834,1017 4.061,1018 2.848,1019 2.897,1020 2.925,1021 2.791,1022 2.735,1023 3.861,1024 2.715,1025 0.137,1026 0.158,1027 0.206,1028 0.13,1029 0.098,1030 4.106,1031 0.116,1032 4.734,1033 0.152,1034 6.178,1035 0.305,1036 3.913,1037 0.095,1038 2.938,1039 3.475,1040 4.573,1041 9.146,1042 2.863,1043 1.932,1044 1.902,1045 2.065,1046 2.034,1047 1.259,1048 2.044,1049 1.917,1050 1.888,1051 2.05,1052 1.999,1053 1.222,1054 2.018,1055 1.663,1056 1.618,1057 1.838,1058 1.869,1059 1.16,1060 1.859,1061 1.553,1062 1.502,1063 1.768,1064 1.754,1065 0.927,1066 1.758,1067 1.417,1068 1.365,1069 1.654,1070 1.591,1071 0.866,1072 1.618,1073 1.283,1074 1.278,1075 1.377,1076 1.432,1077 0.683,1078 1.471,1079 0.988,1080 0.936,1081 1.226,1082 1.221,1083 0.336,1084 1.228,1085 0.906,1086 0.878,1087 1.181,1088 1.178,1089 0.235,1090 1.146,1091 4.111,1092 5.38,1093 2.398,1094 6.823,1095 4.595,1096 8.339,1097 6.529,1098 9.892,1103 2.661,1105 5.659,1107 1.242,1108 -1.166,1111 33.169,1112 81.521,1113 167.455,1114 210.184,1115 242.913,1116 254.423,1117 262.423,1118 72.112,1119 6.752,1120 75.27,1121 100.57,1122 17,1123 12.13,1124 4,1125 3.322,1126 49.357,1127 105,1128 122,1129 0.209,1130 209.983,1131 373.4,1132 504.12,1133 6947,1135 19.769,1136 0.706,1137 0.586,1138 20.123,1139 16.413,1140 13.614,1141 0.454,1142 0.348,1143 9.467,1144 12.795,1145 9.188,1146 7.579,1147 14.068,1148 10.444,1149 11.803,1150 0.303,1151 0.203,1152 12.446,1153 7.912,1154 9.377,1155 0.2,1156 0.121,1157 9.975,1158 5.679,1159 7.285,1160 0.13,1161 0.073,1162 7.861,1163 4.06,1164 5.585,1165 0.089,1166 0.037,1167 5.938,1168 2.318,1169 0.327,1170 88.775,1171 0.223,1172 26.985,1173 0.573,1174 138,1175 406.733,1176 172.032,1177 412.424,1178 541.5,1179 384,1180 155,1181 356.91,1182 181.93,1183 372.928,1184 537.01,1185 352,1186 5} {0 CHEMBL137901,1 1.589,2 11.167,3 1.536,4 2.359,5 109.188,6 7.482,7 0.387,8 4.076,9 4.195,10 3.602,11 3.587,12 5.293,13 3.573,14 4.575,15 4.731,16 3.921,17 3.947,18 5.856,19 3.895,20 4.911,21 5.118,22 3.951,23 4.07,24 6.078,25 3.994,26 4.957,27 5.179,28 3.964,29 4.028,30 6.157,31 3.967,32 4.941,33 5.15,34 4.123,35 4.007,36 6.513,37 3.976,38 4.955,39 5.164,40 4.04,41 4.016,42 6.326,43 3.982,44 4.939,45 5.146,46 3.991,47 4.043,48 6.212,49 3.996,50 4.916,51 5.116,52 3.998,53 4.077,54 6.275,55 4.011,56 0.111,57 0.766,58 10.964,59 4.937,60 23.555,61 6.285,62 0.359,63 1.176,64 19.43,65 8.211,66 70.463,67 11.037,68 0.693,69 1.462,70 30.835,71 10.334,72 119.876,73 14.119,74 0.701,75 1.457,76 33.46,77 10.408,78 130.846,79 14.315,80 1.06,81 1.431,82 32.827,83 9.917,84 225.288,85 14.04,86 0.902,87 1.446,88 33.485,89 9.715,90 167.343,91 13.317,92 0.77,93 1.42,94 32.793,95 10.27,96 141.054,97 13.567,98 0.68,99 1.422,100 30.95,101 10.846,102 142.082,103 14.533,104 45,105 40,106 0.263,107 0.552,108 0.669,109 0.796,110 0.83,111 0.854,112 3.44,113 0.923,114 -2.64,115 -2.66,116 -2.59,117 40,119 4,123 2,125 10,126 2,129 4,131 1,132 1,133 1,134 1,135 1,136 15,139 2,140 1,141 4,142 4,143 1,144 17,145 1,146 1,148 3,150 2,151 2,152 4,155 12,160 4,161 2,162 1,163 1,164 4,165 1,166 1,167 5,171 1,172 3,173 6,175 1,176 4,177 1,178 8,179 1,180 1,181 4,182 1,184 1,185 8,187 1,188 2,189 1,190 7,193 5,194 1,197 8,198 1,199 1,200 1,201 5,203 1,204 10,205 3,206 1,207 1,208 7,210 1,212 6,214 12,215 3,216 1,218 1,219 8,221 1,222 1,224 8,226 12,227 2,228 3,229 1880,230 19.69,231 19.69,232 19.69,233 19.69,234 19.69,235 17.513,236 17.322,237 12.121,238 19.725,239 15.328,240 15.328,241 15.328,242 15.328,243 15.328,244 12.1,245 13.649,246 5.83,247 15.365,248 4.192,249 2.444,250 1.736,251 0.973,252 0.764,253 0.618,254 4.104,257 1,258 1,259 679,260 5,262 253.6,265 1.633,266 48.043,268 1,269 0.83,270 0.83,271 1,272 1,273 0.83,274 0.5,275 0.86,276 66.5,277 335,278 4.096,279 3.843,280 6.156,281 3.907,282 2.922,283 3.475,284 2.376,285 9.083,286 2.87,287 3.92,288 3.7,289 5.884,290 3.688,291 2.697,292 3.447,293 1.969,294 8.158,295 2.663,296 3.904,297 3.526,298 5.361,299 3.545,300 2.543,301 3.201,302 1.891,303 7.022,304 2.547,305 3.764,306 3.482,307 5.288,308 3.398,309 2.397,310 2.986,311 1.886,312 6.748,313 2.395,314 3.533,315 2.734,316 4.961,317 3.19,318 2.164,319 2.709,320 0.351,321 5.804,322 2.205,323 3.44,324 2.696,325 4.591,326 3.07,327 2.041,328 2.592,329 0.144,330 4.881,331 2.077,332 2.932,333 2.107,334 4.104,335 2.527,336 1.528,337 2.089,339 3.583,340 1.522,341 2.912,342 1.973,343 3.628,344 2.484,345 1.483,346 2.076,348 3.129,349 1.484,350 2.521,351 1.61,352 3.583,353 2.217,354 1.234,355 1.5,356 2.909,357 1.2,358 2.5,359 1.491,360 3.384,361 2,362 1,363 1.5,364 2.136,365 1,366 2.5,367 1.007,368 3.247,369 2,370 1,371 1.459,372 2.136,373 1,374 2.242,375 1,376 3.247,377 1.879,378 0.861,379 1.051,380 2.067,381 0.86,382 1.776,383 1,384 3.031,385 1.553,386 0.54,387 0.627,388 1.248,389 0.544,390 1.137,391 0.747,392 2.655,393 0.875,394 -0.119,395 -0.138,396 -0.306,397 -0.117,398 1,399 0.544,400 2.499,401 0.712,402 -0.3,403 -0.339,405 -0.782,406 -0.298,407 13.867,408 0.462,409 0.74,410 0.025,411 36,412 1.2,413 18,414 0.6,415 18,416 0.6,417 25.415,418 0.847,419 33.533,420 0.61,421 31.786,422 1.06,423 7.614,424 0.254,425 6.732,426 0.224,427 0.149,429 0.288,430 0.749,431 1.17,432 0.829,433 1.036,434 0.661,435 0.951,436 0.439,437 1.306,438 0.887,439 1.265,440 0.47,441 1.193,442 1.003,443 1.011,444 1.116,445 1.044,446 1.063,447 1.094,448 1.177,449 1.014,450 1.043,451 0.987,452 1.179,453 0.984,454 0.765,455 1.07,456 0.808,457 0.972,458 0.739,459 0.907,460 1.274,461 0.964,462 1.055,463 0.898,464 1.238,465 0.916,466 1.372,467 0.868,468 1.096,469 0.886,470 1.387,471 0.922,472 0.961,473 1.036,474 1.01,475 1.085,476 0.968,477 1.062,478 6.5,479 0.169,480 2.444,481 1.5,482 1.742,483 0.819,484 0.633,485 0.552,486 0.407,487 0.266,488 10875,489 34711,490 1.94,491 45.5,492 2,493 12,494 5,495 4,496 2,498 1.735,499 1.8,500 3.442,501 2.419,502 1,503 1,506 87.406,507 1.589,508 3.337,509 4.045,510 4.808,511 5.018,512 5.163,513 2.848,514 4.282,515 4.877,516 3.633,517 1580.4,518 8.548,519 23035.7,521 1,522 1,523 317.975,524 1.457,525 4.825,526 0.21,527 0.006,528 0.061,529 0.038,530 0.045,531 0.018,532 0.015,533 0.013,534 0.01,535 0.007,536 0.423,537 0.17,538 0.88,539 1.543,540 155.087,541 -0.102,542 0.076,543 -0.019,544 0.085,545 -0.077,546 0.063,547 0.216,548 -0.159,549 -0.036,550 -0.179,551 0.141,552 -0.172,553 -0.058,554 0.023,555 -0.157,556 -0.061,557 -0.142,558 -0.123,559 -0.117,560 -0.035,561 -0.042,562 -0.032,563 -0.133,564 -0.023,565 0.361,566 -0.082,567 0.204,568 -0.024,569 0.394,570 0.043,571 -0.061,572 0.035,573 -0.032,574 0.032,575 -0.038,576 0.011,577 -0.192,578 0.114,579 -0.087,580 0.075,581 -0.183,582 0.027,583 0.019,584 -0.044,585 -0.047,586 -0.074,587 0.053,588 -0.07,589 3.045,590 5.712,591 0.4,592 31.511,593 1.012,594 1.129,595 1.414,596 1.999,597 0.648,598 3.466,599 3.714,600 3.829,601 3.989,602 4.159,603 3.989,604 4.043,605 4.127,606 4.127,607 4.025,608 7.005,609 0.626,610 411.5,611 3.466,612 4.963,613 5.746,614 6.575,615 7.381,616 8.21,617 9.026,618 9.856,619 10.677,620 11.508,621 5.5,625 3,628 10,630 2,631 12,637 55,638 16,639 2,640 31,641 56,642 22,643 12,644 2,645 10,647 2,648 2,652 6,653 16,654 6,656 4,658 4,659 4,661 1,662 25,663 8,664 5,665 8,667 3,668 1,669 5,674 2,677 1,678 2,679 1,684 1,685 2,691 30,692 1,694 1,695 4,697 2,700 2,704 9.1,706 1,707 4,709 16.667,710 9.2,711 6.806,712 3.064,713 1.641,714 1.247,715 0.913,716 9.199,717 8.275,718 3.738,719 4.19,720 4.494,721 4.877,722 5.325,723 5,724 5.145,725 5.401,726 5.592,727 5.507,728 1,729 39,730 11.235,731 4.822,732 8.222,733 20.402,734 16.093,735 2.722,736 81.667,739 235.422,740 126.296,741 68.919,743 143.263,745 126.296,746 378.685,747 68.919,749 79.057,750 94.762,751 158.287,752 6.371,754 235.422,756 235.422,757 195.214,758 143.263,760 211.88,761 166.805,763 79.057,764 116.157,767 235.422,768 212.182,769 126.296,771 235.422,772 31.533,773 94.762,774 36.022,775 176.16,776 235.422,777 212.182,778 126.296,779 0.565,780 0.301,781 0.156,782 0.093,783 14,784 8,785 0.196,786 11,788 1,789 4.081,790 239.927,792 12,793 133.207,797 23.268,798 11.86,799 8.495,801 212.182,802 18.476,804 1.784,805 111.602,806 573.899,807 41,809 47.565,810 -3.262,811 55.662,812 62.109,813 0.275,814 0.577,815 0.7,816 0.832,817 0.868,818 0.893,819 4.934,820 1.483,821 5.7,822 3.583,823 4.394,824 4.875,825 3.349,826 6.395,827 4.388,828 6.092,829 1.234,830 7.192,831 3.129,832 3.892,833 4.477,834 3.053,835 7.071,836 3.892,837 7.348,838 1,839 8.78,840 2.909,841 5.878,842 6.817,843 4.54,844 10.092,845 5.855,846 8.626,847 1,848 10.424,849 2.136,850 6.133,851 7.094,852 4.827,853 11.566,854 6.11,855 9.928,856 0.861,857 12.103,858 2.136,859 7.61,860 8.993,861 5.922,862 14.09,863 7.565,864 11.245,865 0.54,866 13.807,867 2.067,868 8.23,869 9.575,870 6.476,871 15.921,872 8.175,873 12.575,874 -0.119,875 15.529,876 1.248,877 9.477,878 11.281,879 7.416,880 18.246,881 9.402,882 2.922,883 -0.3,884 17.265,885 -0.306,886 10.29,887 12.034,888 8.108,889 20.252,890 10.199,891 2.697,892 9.083,893 19.011,894 -0.782,895 11.425,896 13.626,897 8.985,898 22.495,899 11.316,900 2.543,901 8.158,902 20.766,903 3.475,904 12.344,905 14.493,906 9.751,907 24.589,908 12.215,909 2.397,910 7.022,911 22.527,912 3.447,913 13.427,914 16.005,915 10.606,916 26.798,917 13.28,918 2.164,919 6.748,920 24.295,921 3.201,922 14.404,923 16.956,924 11.413,925 28.939,926 14.236,927 2.041,928 5.804,929 26.067,930 2.986,931 15.464,932 18.408,933 12.263,934 31.135,935 15.277,936 1.528,937 4.881,938 27.844,939 2.709,940 16.474,941 19.424,942 13.093,943 33.3,944 16.266,945 10998,946 19792,947 19.879,948 35.665,949 45.692,950 46.916,951 45.986,952 44.837,953 44.823,954 57.424,955 17.234,956 117.807,957 44.733,958 5.055,959 5.843,960 5.958,961 4.933,962 4.922,963 6.475,964 3.99,965 15.485,966 4.87,967 17.508,968 1.474,969 1.513,970 1.483,971 1.446,972 1.446,973 1.852,974 0.556,975 3.8,976 1.443,977 3.968,978 4.004,979 3.892,980 3.89,981 7.475,982 3.884,983 3.904,984 3.936,985 3.828,986 3.848,987 7.437,988 3.839,989 3.784,990 3.82,991 3.714,992 3.593,993 7.431,994 3.617,995 3.648,996 3.689,997 3.569,998 3.458,999 7.423,1000 3.476,1001 3.459,1002 3.502,1003 3.365,1004 3.292,1005 6.351,1006 3.294,1007 3.328,1008 3.359,1009 3.258,1010 3.005,1011 4.883,1012 3.064,1013 3.051,1014 3.08,1015 2.951,1016 2.849,1017 4.762,1018 2.855,1019 3.022,1020 3.076,1021 2.891,1022 2.779,1023 4.739,1024 2.818,1025 0.132,1026 0.124,1027 0.199,1028 0.126,1029 0.094,1030 4.096,1031 0.112,1032 3.843,1033 0.077,1034 6.156,1035 0.293,1036 3.907,1037 0.093,1038 2.922,1039 3.475,1040 2.376,1041 9.083,1042 2.87,1043 1.932,1044 1.902,1045 2.065,1046 2.037,1047 1.258,1048 2.045,1049 1.917,1050 1.888,1051 2.05,1052 2,1053 1.221,1054 2.019,1055 1.7,1056 1.661,1057 1.854,1058 1.918,1059 1.087,1060 1.9,1061 1.583,1062 1.54,1063 1.771,1064 1.797,1065 0.924,1066 1.786,1067 1.423,1068 1.376,1069 1.653,1070 1.628,1071 0.86,1072 1.63,1073 1.16,1074 1.126,1075 1.36,1076 1.518,1077 0.349,1078 1.474,1079 0.987,1080 0.936,1081 1.228,1082 1.248,1083 0.279,1084 1.23,1085 0.906,1086 0.883,1087 1.181,1088 1.22,1089 0.218,1090 1.187,1091 4.143,1092 5.407,1094 6.838,1096 8.343,1098 9.885,1101 5.059,1102 9.225,1103 0.311,1105 4.966,1108 -2.458,1111 34.433,1112 87.406,1113 183.562,1114 222.491,1115 264.465,1116 275.975,1117 283.975,1118 112.35,1119 6.635,1120 138.59,1121 138.59,1122 12,1123 12.082,1124 4.087,1125 3.459,1126 68.642,1127 117,1128 138,1129 0.261,1130 218.105,1131 393.19,1132 523.937,1133 5794,1135 21.933,1136 0.731,1137 0.547,1138 21.933,1139 16.414,1140 14.346,1141 0.463,1142 0.308,1143 9.419,1144 13.828,1145 9.248,1146 7.664,1147 14.346,1148 9.536,1149 12.769,1150 0.319,1151 0.172,1152 12.769,1153 6.865,1154 9.055,1155 0.201,1156 0.099,1157 9.055,1158 4.438,1159 6.959,1160 0.131,1161 0.055,1162 6.959,1163 2.902,1164 5.797,1165 0.092,1166 0.03,1167 5.797,1168 1.906,1169 0.41,1170 90.069,1171 0.224,1172 28.522,1173 0.721,1174 142,1175 491.07,1176 158.206,1177 469.036,1178 597.74,1179 430,1180 156,1181 398.364,1182 169.329,1183 400.902,1184 567.9,1185 376,1186 5} {0 CHEMBL137919,1 1.645,2 8.962,3 2.347,4 5.51,5 99.971,6 7.356,7 0.231,8 4.005,9 4.121,10 3.518,11 3.482,12 5.155,13 3.441,14 4.539,15 4.711,16 3.865,17 3.83,18 5.779,19 3.762,20 4.857,21 5.058,22 3.867,23 3.98,24 5.972,25 3.884,26 4.962,27 5.213,28 3.968,29 3.948,30 6.105,31 3.871,32 4.864,33 5.049,34 4.071,35 3.882,36 6.408,37 3.854,38 4.808,39 5.011,40 3.976,41 3.936,42 6.035,43 3.876,44 4.906,45 5.109,46 3.994,47 3.991,48 6.135,49 3.925,50 4.953,51 5.175,52 3.934,53 4.005,54 6.296,55 3.901,56 0.089,57 0.703,58 12.139,59 5.123,60 17.455,61 6.493,62 0.485,63 1.069,64 22.575,65 8.17,66 71.937,67 10.916,68 0.711,69 1.319,70 32.297,71 10.159,72 91.372,73 13.584,74 0.642,75 1.365,76 37.535,77 10.156,78 110.182,79 14.521,80 1.226,81 1.241,82 35.408,83 8.48,84 215.416,85 11.283,86 0.598,87 1.247,88 31.203,89 9.462,90 104.065,91 12.692,92 0.602,93 1.332,94 34.178,95 10.248,96 100.3,97 13.737,98 1.125,99 1.331,100 38.813,101 11.182,102 178.172,103 14.554,104 89,105 35,106 0.281,107 0.618,108 0.771,109 0.809,110 0.818,111 0.818,112 3.304,113 1.03,114 -2.8,115 -2.81,116 -2.72,117 34.6,118 3,119 2,122 1,123 2,124 1,125 5,126 1,129 2,130 1,134 1,135 1,136 7,138 1,139 3,141 4,142 2,143 1,144 11,145 1,148 2,150 2,151 2,152 3,155 5,160 7,161 1,164 6,167 1,172 3,173 4,176 3,178 5,179 1,181 1,182 1,185 7,188 1,189 1,190 4,193 4,194 1,197 11,198 2,201 5,204 5,205 2,207 2,208 4,210 2,212 2,214 8,215 2,219 2,224 2,226 10,227 4,229 1244,230 16.37,231 16.37,232 16.37,233 16.37,234 16.37,235 15.151,236 16.853,237 9.902,238 16.643,239 12.815,240 12.815,241 12.815,242 12.815,243 12.815,244 10.957,245 17.943,246 4.652,247 13.241,248 4.055,249 2.081,250 1.186,251 0.962,252 0.909,253 0.909,254 3.941,256 1,257 1,258 1,259 451,260 5.244,262 108.902,265 1.281,266 41.189,268 1,269 0.83,270 0.83,271 1,272 1,273 0.83,274 1,275 0.93,276 58,277 233,278 4.175,279 3.849,280 6.448,281 4.074,282 3.136,283 3.475,284 2.376,285 10.161,286 2.932,287 4.063,288 3.755,289 6.145,290 3.884,291 2.901,292 3.237,293 2.189,294 9.042,295 2.843,296 3.891,297 3.624,298 5.855,299 3.642,300 2.656,301 3.143,302 1.95,303 8.026,304 2.608,305 3.725,306 3.282,307 5.288,308 3.383,309 2.387,310 2.907,311 0.421,312 6.739,313 2.374,314 3.415,315 3.167,316 4.884,317 3.038,318 2.051,319 2.535,320 0.262,321 5.582,322 1.989,323 2.928,324 2.731,325 4.1,326 2.518,327 1.52,328 2.085,329 0.044,330 3.546,331 1.511,332 2.657,333 2.112,334 3.707,335 2.384,336 1.413,337 1.612,339 3.004,340 1.348,341 2.5,342 1.974,343 3.543,344 2.098,345 1.134,346 1.5,348 2.623,349 1.079,350 2.373,351 1.491,352 3.247,353 2,354 1,355 1.288,356 2.136,357 1,358 1.877,359 1,360 3.065,361 1.599,362 0.657,363 0.744,364 1.206,365 0.597,366 1.139,367 0.805,368 2.903,369 0.912,370 -0.04,371 -0.044,372 -0.112,373 -0.038,374 0.883,375 0.575,376 2.523,377 0.547,378 -0.366,379 -0.39,380 -0.696,381 -0.325,382 0.808,383 0.463,384 2.19,385 0.51,386 -0.454,387 -0.539,388 -1.16,389 -0.426,390 0.626,391 0.306,392 2,393 0.278,394 -0.761,395 -0.99,396 -1.763,397 -0.778,398 0.5,399 0.009,400 2,401 0.033,402 -1,403 -1,405 -2,406 -0.905,407 12.3,408 0.473,409 0.881,410 0.034,411 26,412 1,413 10.5,414 0.404,415 15.5,416 0.596,417 27.908,418 1.073,419 30.9,420 0.594,421 21.541,422 0.828,423 4.876,424 0.188,425 7.243,426 0.279,427 0.298,428 0.041,429 0.244,430 0.789,431 1.379,432 0.919,433 1.204,434 0.688,435 1.111,436 0.471,437 1.241,438 0.849,439 1.145,440 0.43,441 1.09,442 1.156,443 1.083,444 1.081,445 1.035,446 0.965,447 1.145,448 1.11,449 1.014,450 0.763,451 0.826,452 1.156,453 0.804,454 1.489,455 0.907,456 1.044,457 0.83,458 1.554,459 0.88,460 1.13,461 1.044,462 0.871,463 0.946,464 1.172,465 0.942,466 1.322,467 1.107,468 0.938,469 0.993,470 1.26,471 1.009,472 1.187,473 0.72,474 1.06,475 0.81,476 1.171,477 0.877,478 7.5,479 0.132,480 2.444,481 1.938,482 1.431,483 0.84,484 0.714,485 0.606,486 0.428,487 0.324,488 6368,489 21008,490 1.822,491 50,493 9,494 4,496 11,497 2,498 1.7,499 1.651,500 3.121,501 1.773,502 1,503 1,506 85.543,507 1.645,508 3.619,509 4.515,510 4.738,511 4.791,512 4.791,513 2.493,514 4.104,515 4.671,516 3.35,517 1088.69,518 8.146,519 14279.2,521 1,522 1,523 296.423,524 1.717,525 4.575,526 0.288,527 0.007,528 0.07,529 0.059,530 0.04,531 0.023,532 0.019,533 0.016,534 0.013,535 0.012,536 0.547,537 0.33,538 1,539 2.46,540 126.962,541 -0.083,542 -0.09,543 -0.056,544 -0.058,545 -0.087,546 -0.018,547 0.318,548 -0.095,549 0.036,550 -0.103,551 0.212,552 -0.053,553 -0.1,554 -0.045,555 -0.195,556 -0.105,557 -0.129,558 -0.182,559 -0.083,560 -0.079,561 0.141,562 0.036,563 -0.072,564 0.132,565 0.043,566 0.118,567 -0.028,568 0.057,569 0.104,570 -0.004,571 -0.063,572 -0.016,573 0.03,574 -0.014,575 -0.059,576 0.022,577 -0.175,578 -0.116,579 -0.041,580 -0.075,581 -0.115,582 -0.054,583 0.023,584 0.238,585 -0.057,586 0.138,587 0.051,588 0.068,589 2.817,590 5.569,591 0.231,592 22.769,593 1.01,594 1.134,595 1.568,596 2.457,597 0.636,598 3.296,599 3.584,600 3.611,601 3.784,602 3.85,603 3.784,604 3.85,605 3.871,606 3.784,607 3.611,608 6.035,609 0.599,610 382.53,611 3.296,612 4.812,613 5.58,614 6.435,615 7.225,616 8.081,617 8.881,618 9.737,619 10.544,620 11.399,621 3.8,625 2,628 5,630 1,631 6,637 52,638 9,639 1,640 26,641 52,642 18,643 6,644 1,645 5,647 1,648 1,650 4,652 4,653 9,654 9,655 1,656 3,658 3,659 3,660 1,661 1,662 26,663 7,664 3,665 8,666 1,667 2,668 1,669 5,674 1,678 1,679 1,683 1,684 1,685 1,687 1,688 3,690 1,691 26,694 1,695 3,696 1,697 2,698 1,700 2,702 1,704 9.6,706 1,707 3,708 1,709 15.75,710 9.65,711 5.847,712 2.886,713 1.046,714 1.17,715 0.857,716 9.128,717 7.192,718 3.497,719 3.922,720 4.123,721 4.484,722 4.816,723 4.583,724 4.783,725 5.026,726 5.136,727 5.055,728 0.833,729 33,730 9.723,731 4.055,732 8.185,733 17.73,734 13.665,735 2.685,736 69.806,738 1,739 269.783,740 133.952,741 36.022,743 129.118,744 38.564,745 95.388,746 398.901,747 36.022,748 26.476,749 41.99,750 47.381,751 134.551,752 14.185,753 6.763,754 297.528,756 269.783,757 131.41,758 129.118,759 38.564,760 116.758,761 282.142,763 68.466,764 62.944,766 38.564,767 269.783,768 165.14,769 133.952,771 269.783,772 21.531,773 73.857,774 36.022,775 167.682,776 269.783,777 165.14,778 133.952,779 0.573,780 0.288,781 0.151,782 0.079,783 12,784 8,785 0.192,786 10,788 1,789 3.558,790 193.471,792 6,793 113.457,794 1,797 22.482,798 10.556,799 9.103,801 165.14,802 9.114,804 0.824,805 78.705,806 568.874,807 32,809 35.891,810 -2.48,811 52.52,812 58.946,813 0.289,814 0.635,815 0.792,816 0.831,817 0.84,818 0.84,819 4.732,820 1.134,821 5.609,822 3.004,823 4.263,824 4.605,825 3.228,826 6.378,827 4.201,828 5.917,829 1,830 7.157,831 2.623,832 4.111,833 4.46,834 2.906,835 7.469,836 4.019,837 7.205,838 0.657,839 8.811,840 2.136,841 5.883,842 6.524,843 4.52,844 10.339,845 5.747,846 8.516,847 -0.04,848 10.525,849 1.206,850 6.447,851 7.015,852 4.801,853 12.146,854 6.266,855 9.851,856 -0.366,857 12.273,858 -0.112,859 7.8,860 8.691,861 5.99,862 14.621,863 7.577,864 11.2,865 -0.454,866 14.045,867 -0.696,868 8.663,869 9.444,870 6.538,871 16.702,872 8.384,873 12.561,874 -0.761,875 15.831,876 -1.16,877 9.861,878 10.969,879 7.546,880 19.05,881 9.538,882 3.136,883 -1,884 17.629,885 -1.763,886 10.857,887 11.852,888 8.229,889 21.248,890 10.473,891 2.901,892 10.161,893 19.434,894 -2,895 11.997,896 13.301,897 9.152,898 23.554,899 11.564,900 2.656,901 9.042,902 21.246,903 3.475,904 13.055,905 14.263,906 9.908,907 25.805,908 12.558,909 2.387,910 8.026,911 23.063,912 3.237,913 14.176,914 15.664,915 10.79,916 28.101,917 13.625,918 2.051,919 6.739,920 24.885,921 3.143,922 15.264,923 16.683,924 11.587,925 30.378,926 14.649,927 1.52,928 5.582,929 26.71,930 2.907,931 16.381,932 18.049,933 12.449,934 32.674,935 15.706,936 1.413,937 3.546,938 28.538,939 2.535,940 17.485,941 19.111,942 13.269,943 34.964,944 16.746,945 6832,946 12526,947 15.603,948 33.068,949 38.588,950 41.729,951 39.138,952 37.78,953 37.71,954 45.053,955 14.486,956 104.129,957 36.56,958 5.131,959 5.849,960 6.25,961 5.141,962 5.136,963 6.475,964 4.079,965 16.612,966 4.932,967 18.39,968 1.484,969 1.605,970 1.505,971 1.453,972 1.45,973 1.733,974 0.557,975 4.005,976 1.406,977 3.949,978 3.983,979 3.881,980 3.873,981 7.474,982 3.866,983 3.785,984 3.822,985 3.776,986 3.619,987 7.437,988 3.622,989 3.724,990 3.766,991 3.659,992 3.555,993 7.425,994 3.553,995 3.565,996 3.613,997 3.553,998 3.407,999 6.351,1000 3.403,1001 3.257,1002 3.291,1003 3.404,1004 3.093,1005 4.753,1006 3.045,1007 3.191,1008 3.196,1009 3.136,1010 2.889,1011 4.567,1012 2.937,1013 3.039,1014 3.076,1015 2.924,1016 2.776,1017 4.321,1018 2.826,1019 2.874,1020 3.009,1021 2.722,1022 2.735,1023 4.106,1024 2.715,1025 0.161,1026 0.148,1027 0.248,1028 0.157,1029 0.121,1030 4.175,1031 0.134,1032 3.849,1033 0.091,1034 6.448,1035 0.391,1036 4.074,1037 0.113,1038 3.136,1039 3.475,1040 2.376,1041 10.161,1042 2.932,1043 1.926,1044 1.896,1045 2.056,1046 2.027,1047 1.245,1048 2.035,1049 1.711,1050 1.669,1051 1.947,1052 1.916,1053 1.183,1054 1.919,1055 1.688,1056 1.641,1057 1.871,1058 1.888,1059 1.118,1060 1.892,1061 1.52,1062 1.474,1063 1.71,1064 1.723,1065 0.895,1066 1.725,1067 1.159,1068 1.127,1069 1.417,1070 1.428,1071 0.525,1072 1.429,1073 1.03,1074 1.001,1075 1.417,1076 1.358,1077 0.469,1078 1.308,1079 0.934,1080 0.89,1081 1.354,1082 1.239,1083 0.469,1084 1.308,1085 0.934,1086 0.821,1087 1.226,1088 1.239,1089 0.291,1090 1.304,1091 3.97,1092 5.263,1094 6.711,1096 8.228,1098 9.782,1099 5.143,1102 9.199,1103 0.688,1104 4.007,1105 4.971,1106 5.197,1108 -2.035,1110 -0.715,1111 31.126,1112 85.543,1113 188.207,1114 234.774,1115 246.384,1116 249.139,1117 249.139,1118 121.376,1119 6.146,1120 104.73,1121 143.53,1122 6,1123 11.964,1124 3.322,1125 2.807,1126 75.643,1127 87,1128 94,1129 0.397,1130 203.176,1131 365.32,1132 487.508,1133 2756,1135 19.742,1136 0.759,1137 0.619,1138 20.242,1139 16.085,1140 12.119,1141 0.466,1142 0.343,1143 8.231,1144 11.271,1145 7.863,1146 6.592,1147 12.473,1148 8.928,1149 11.611,1150 0.332,1151 0.207,1152 11.861,1153 7.247,1154 7.108,1155 0.197,1156 0.099,1157 7.253,1158 3.581,1159 5.822,1160 0.135,1161 0.056,1162 6.007,1163 2.426,1164 4.093,1165 0.089,1166 0.031,1167 4.319,1168 1.437,1169 0.61,1170 80.138,1171 0.253,1172 24.975,1173 1.129,1174 122,1175 431.855,1176 149.639,1177 419.133,1178 530.13,1179 384,1180 132,1181 348.394,1182 151.667,1183 351.286,1184 499.72,1185 326,1186 7.276} {0 CHEMBL137947,1 1.516,2 13.722,3 4.763,4 22.683,5 143.248,6 7.422,7 0.474,8 4.275,9 4.387,10 3.826,11 3.862,12 5.379,13 3.81,14 4.797,15 4.953,16 4.112,17 4.217,18 5.892,19 4.131,20 5.104,21 5.319,22 4.166,23 4.327,24 6.144,25 4.217,26 5.156,27 5.377,28 4.174,29 4.271,30 6.241,31 4.179,32 5.129,33 5.338,34 4.334,35 4.266,36 6.45,37 4.202,38 5.161,39 5.369,40 4.325,41 4.321,42 6.372,43 4.254,44 5.209,45 5.411,46 4.318,47 4.407,48 6.374,49 4.315,50 5.237,51 5.45,52 4.356,53 4.489,54 6.398,55 4.361,56 0.032,57 0.901,58 14.668,59 6.787,60 11.176,61 8.559,62 0.312,63 1.451,64 26.798,65 11.223,66 44.111,67 14.507,68 0.493,69 1.876,70 39.304,71 14.576,72 77.582,73 19.154,74 0.534,75 1.893,76 43.095,77 14.379,78 95.445,79 18.398,80 0.81,81 1.853,82 43.143,83 14.043,84 156.926,85 17.817,86 0.639,87 1.935,88 42.762,89 14.111,90 116.88,91 17.838,92 0.605,93 2.047,94 46.805,95 15.659,96 115.95,97 19.296,98 0.557,99 2.126,100 47.464,101 17.862,102 119.272,103 22.608,104 19,105 48,106 0.238,107 0.512,108 0.647,109 0.753,110 0.812,111 0.849,112 3.615,113 1,114 -5.03,115 -4.93,116 -4.62,117 42.6,119 4,122 2,123 2,125 15,126 3,129 3,136 21,138 1,139 2,141 2,142 3,144 23,148 6,150 3,151 1,152 3,155 15,160 7,164 4,167 5,172 3,173 9,176 1,178 9,181 5,185 11,188 2,190 8,193 7,197 10,201 5,204 12,207 2,208 11,212 4,214 14,219 10,224 4,226 15,229 3024,230 24.543,231 24.543,232 24.543,233 24.543,234 24.543,235 21.875,236 20.226,237 15.336,238 24.754,239 18.77,240 18.77,241 18.77,242 18.77,243 18.77,244 14.821,245 17.878,246 7.3,247 19.059,248 4.572,249 2.835,250 1.973,251 1.299,252 0.927,253 0.688,254 4.299,258 1,259 1034,260 5.05,262 467.304,265 2,266 42.647,268 0.75,269 0.67,270 0.67,271 0.9,272 0.5,273 0.67,274 0.5,275 0.66,276 77,277 494,278 4.1,279 3.868,280 6.173,281 3.908,282 2.926,283 3.476,284 2.483,285 9.133,286 2.866,287 3.953,288 3.723,289 5.941,290 3.699,291 2.719,292 3.45,293 1.97,294 8.351,295 2.651,296 3.906,297 3.529,298 5.361,299 3.546,300 2.544,301 3.447,302 1.891,303 7.022,304 2.548,305 3.866,306 3.285,307 5.339,308 3.491,309 2.498,310 3.199,311 0.852,312 6.962,313 2.479,314 3.759,315 2.772,316 5.289,317 3.394,318 2.394,319 2.988,320 0.34,321 6.752,322 2.389,323 3.53,324 2.732,325 4.965,326 3.184,327 2.16,328 2.707,329 0.139,330 5.819,331 2.197,332 2.952,333 2.696,334 4.301,335 2.608,336 1.653,337 2.108,339 4.082,340 1.57,341 2.92,342 2.129,343 3.906,344 2.502,345 1.504,346 2.082,348 3.289,349 1.497,350 2.911,351 1.978,352 3.628,353 2.483,354 1.482,355 2.075,356 3.128,357 1.483,358 2.706,359 1.74,360 3.604,361 2.399,362 1.414,363 1.688,364 3.041,365 1.377,366 2.5,367 1.61,368 3.54,369 2.124,370 1.157,371 1.5,372 2.709,373 1.106,374 2.5,375 1.491,376 3.247,377 2,378 1,379 1.5,380 2.136,381 1,382 2.5,383 1.257,384 3.247,385 2,386 1,387 1.5,388 2.136,389 1,390 2.387,391 1.007,392 3.247,393 2,394 1,395 1.309,396 2.136,397 1,398 1.929,399 1,400 3.083,401 1.713,402 0.804,403 0.872,405 1.533,406 0.712,407 17.467,408 0.485,409 0.626,410 0.017,411 43.75,412 1.215,413 22.5,414 0.625,415 21.25,416 0.59,417 34.644,418 0.962,419 38.933,420 0.573,421 36.489,422 1.014,423 8.651,424 0.24,425 8.895,426 0.247,427 0.105,429 0.229,430 0.69,431 1.153,432 0.872,433 1.05,434 0.566,435 0.983,436 0.654,437 1.231,438 1.002,439 1.161,440 0.593,441 1.154,442 0.972,443 1.045,444 0.977,445 1.02,446 1.026,447 1.055,448 1.612,449 1.04,450 0.994,451 0.925,452 1.528,453 0.956,454 1.274,455 1.06,456 0.857,457 0.935,458 1.175,459 0.875,460 1.612,461 0.987,462 0.915,463 0.846,464 1.675,465 0.876,466 1.696,467 0.988,468 1.16,469 0.954,470 1.779,471 0.954,472 0.938,473 1.037,474 1.046,475 1.062,476 0.991,477 1.035,478 6,479 0.239,480 2.889,481 1.438,482 1.733,483 1.076,484 0.675,485 0.646,486 0.448,487 0.256,488 19584,489 52026,490 2.026,491 47.1,492 2,493 21,494 3,495 2,496 2,497 2,498 1.781,499 1.929,500 3.717,501 0.745,506 103.066,507 1.516,508 3.253,509 4.115,510 4.789,511 5.161,512 5.4,513 3.183,514 4.781,515 5.138,516 3.901,517 2457.65,518 9.071,519 41146.5,523 413.947,524 1.224,525 5.116,526 0.158,527 0.005,528 0.06,529 0.03,530 0.038,531 0.02,532 0.013,533 0.012,534 0.008,535 0.005,536 0.349,537 0.17,538 0.75,539 0.783,540 198.247,541 -0.034,542 -0.025,543 -0.025,544 -0.025,545 -0.034,546 0.011,547 0.163,548 -0.16,549 -0.123,550 -0.174,551 0.04,552 -0.174,553 0.051,554 -0.03,555 -0.072,556 -0.094,557 -0.071,558 -0.097,559 -0.178,560 -0.056,561 -0.041,562 -0.022,563 -0.165,564 -0.028,565 0.218,566 -0.056,567 0.144,568 -0.009,569 0.287,570 0.051,571 -0.1,572 0.033,573 0.037,574 0.047,575 -0.075,576 0.035,577 -0.242,578 0.037,579 -0.113,580 0.017,581 -0.198,582 -0.02,583 0.077,584 -0.035,585 -0.014,586 -0.043,587 0.102,588 -0.047,589 2.199,590 6.263,591 0.5,592 45.556,593 0.998,594 1.117,595 3.805,596 14.475,597 0.675,598 3.664,599 3.892,600 4.06,601 4.22,602 4.394,603 4.263,604 4.331,605 4.431,606 4.454,607 4.407,608 8.192,609 0.632,610 504.7,611 3.664,612 5.153,613 5.948,614 6.77,615 7.581,616 8.406,617 9.225,618 10.052,619 10.875,620 11.703,621 2.9,625 2,628 15,630 3,631 18,637 68,638 21,639 3,640 38,641 70,642 29,643 18,644 3,645 15,647 3,648 3,650 1,652 6,653 21,654 8,656 3,658 3,659 3,662 32,663 6,664 2,665 7,666 1,667 2,668 1,669 4,674 3,678 2,680 1,685 3,687 1,690 1,691 36,695 6,696 1,697 2,698 1,700 2,704 5.9,707 3,708 1,709 18.667,710 11.533,711 8.306,712 3.975,713 1.878,714 1.264,715 0.941,716 11.558,717 8.999,718 3.932,719 4.388,720 4.781,721 5.175,722 5.625,723 5.298,724 5.456,725 5.71,726 5.907,727 5.827,728 1,729 48,730 13.455,731 5.634,732 7.844,733 25.376,734 20.164,735 2.344,736 84.389,739 352.18,740 222.495,741 36.022,743 86.435,744 38.564,745 183.931,746 438.615,747 36.022,749 51.652,750 142.144,751 102.854,752 20.557,754 379.926,756 352.18,757 219.953,758 86.435,759 38.564,760 305.096,761 133.519,763 51.652,764 168.301,766 38.564,767 352.18,768 122.456,769 222.495,771 352.18,772 41.788,773 142.144,774 36.022,775 124.998,776 352.18,777 122.456,778 222.495,779 0.555,780 0.311,781 0.164,782 0.093,783 17,784 8,785 0.2,786 14,788 1,789 4.705,790 313.353,792 18,793 174.117,794 1,797 27.509,798 15.125,799 9.84,801 122.456,802 28.499,804 2.805,805 36.022,806 697.131,807 50,809 38.74,810 -1.196,811 67.843,812 75.982,813 0.249,814 0.534,815 0.676,816 0.787,817 0.848,818 0.887,819 5.115,820 1.504,821 5.872,822 4.082,823 4.575,824 5.075,825 3.235,826 6.555,827 4.547,828 6.253,829 1.482,830 7.349,831 3.289,832 3.892,833 4.494,834 2.848,835 7.182,836 3.882,837 7.496,838 1.414,839 8.925,840 3.128,841 6.043,842 7.042,843 4.484,844 10.236,845 5.989,846 8.767,847 1.157,848 10.56,849 3.041,850 6.196,851 7.205,852 4.758,853 11.707,854 6.151,855 10.066,856 1,857 12.234,858 2.709,859 7.761,860 9.246,861 5.972,862 14.228,863 7.679,864 11.383,865 1,866 13.936,867 2.136,868 8.323,869 9.757,870 6.549,871 16.061,872 8.236,873 12.715,874 1,875 15.656,876 2.136,877 9.615,878 11.559,879 7.589,880 18.382,881 9.5,882 2.926,883 0.804,884 17.391,885 2.136,886 10.394,887 12.267,888 8.32,889 20.39,890 10.264,891 2.719,892 9.133,893 19.136,894 1.533,895 11.551,896 13.924,897 9.284,898 22.63,899 11.397,900 2.544,901 8.351,902 20.89,903 3.476,904 12.448,905 14.763,906 10.096,907 24.726,908 12.274,909 2.498,910 7.022,911 22.651,912 3.45,913 13.541,914 16.319,915 11.027,916 26.935,917 13.344,918 2.394,919 6.962,920 24.418,921 3.447,922 14.504,923 17.252,924 11.883,925 29.077,926 14.283,927 2.16,928 6.752,929 26.189,930 3.199,931 15.567,932 18.734,933 12.8,934 31.275,935 15.324,936 1.653,937 5.819,938 27.966,939 2.988,940 16.568,941 19.738,942 13.68,943 33.442,944 16.3,945 19049,946 31196,947 25.424,948 45.898,949 55.087,950 58.147,951 55.698,952 54.32,953 54.329,954 69.96,955 15.349,956 140.513,957 53.526,958 5.068,959 5.868,960 5.975,961 4.971,962 4.926,963 6.476,964 4.259,965 15.593,966 4.866,967 15.825,968 1.45,969 1.53,970 1.466,971 1.429,972 1.43,973 1.841,974 0.404,975 3.698,976 1.409,977 3.979,978 4.014,979 3.909,980 3.899,981 7.437,982 3.893,983 3.905,984 3.936,985 3.832,986 3.848,987 7.428,988 3.839,989 3.903,990 3.932,991 3.827,992 3.84,993 7.423,994 3.833,995 3.766,996 3.805,997 3.766,998 3.611,999 4.787,1000 3.612,1001 3.638,1002 3.679,1003 3.62,1004 3.471,1005 4.751,1006 3.474,1007 3.443,1008 3.487,1009 3.487,1010 3.301,1011 4.739,1012 3.292,1013 3.316,1014 3.345,1015 3.329,1016 3.139,1017 4.389,1018 3.117,1019 3.119,1020 3.184,1021 3.044,1022 2.967,1023 4.284,1024 2.937,1025 0.108,1026 0.102,1027 0.162,1028 0.103,1029 0.077,1030 4.1,1031 0.091,1032 3.868,1033 0.065,1034 6.173,1035 0.24,1036 3.908,1037 0.075,1038 2.926,1039 3.476,1040 2.483,1041 9.133,1042 2.866,1043 1.932,1044 1.902,1045 2.065,1046 2.037,1047 1.26,1048 2.045,1049 1.917,1050 1.888,1051 2.05,1052 2.002,1053 1.225,1054 2.019,1055 1.904,1056 1.877,1057 2.033,1058 1.994,1059 1.188,1060 2.008,1061 1.705,1062 1.664,1063 1.872,1064 1.896,1065 1.13,1066 1.895,1067 1.586,1068 1.542,1069 1.776,1070 1.786,1071 0.927,1072 1.784,1073 1.425,1074 1.377,1075 1.656,1076 1.606,1077 0.864,1078 1.625,1079 1.24,1080 1.207,1081 1.473,1082 1.489,1083 0.622,1084 1.491,1085 1.085,1086 1.027,1087 1.32,1088 1.32,1089 0.517,1090 1.34,1091 4.344,1092 5.595,1094 7.027,1096 8.536,1098 10.081,1103 1.932,1104 4.236,1105 5.634,1106 5.435,1108 -1.696,1111 42.991,1112 103.066,1113 221.173,1114 279.795,1115 325.644,1116 350.928,1117 367.193,1118 107.459,1119 7.12,1120 84.5,1121 123.3,1122 18,1123 12.279,1124 4.459,1125 3.7,1126 73.232,1127 168,1128 188,1129 0.195,1130 272.344,1131 484.47,1132 656.279,1133 11530,1135 25.589,1136 0.711,1137 0.584,1138 26.089,1139 21.032,1140 17.546,1141 0.462,1142 0.333,1143 11.983,1144 16.777,1145 11.675,1146 9.686,1147 17.9,1148 12.671,1149 14.742,1150 0.307,1151 0.186,1152 14.992,1153 8.909,1154 11.557,1155 0.203,1156 0.104,1157 11.701,1158 5.919,1159 8.928,1160 0.133,1161 0.059,1162 9.114,1163 3.966,1164 7.28,1165 0.091,1166 0.033,1167 7.481,1168 2.612,1169 0.309,1170 112.269,1171 0.198,1172 33.365,1173 0.528,1174 172,1175 513.705,1176 195.875,1177 508.655,1178 666.29,1179 474,1180 191,1181 447.545,1182 209.67,1183 456.987,1184 654.6,1185 430,1186 5} {0 CHEMBL138076,1 1.673,2 10.333,3 3.022,4 9.133,5 115.68,6 8.029,7 0.5,8 4.058,9 4.166,10 3.667,11 3.627,12 5.243,13 3.596,14 4.557,15 4.698,16 4.003,17 4.001,18 5.795,19 3.942,20 4.875,21 5.078,22 4.056,23 4.107,24 6.039,25 4.025,26 4.927,27 5.138,28 4.057,29 4.057,30 6.12,31 3.995,32 4.874,33 5.069,34 4.17,35 4.013,36 6.352,37 3.971,38 4.873,39 5.064,40 4.124,41 4.031,42 6.209,43 3.994,44 4.908,45 5.106,46 4.074,47 4.087,48 6.146,49 4.029,50 4.871,51 5.06,52 4.113,53 4.147,54 6.209,55 4.062,56 0.093,57 0.755,58 10.759,59 4.974,60 17.511,61 5.901,62 0.299,63 1.203,64 19.125,65 8.304,66 54.974,67 10.401,68 0.599,69 1.531,70 30.308,71 10.958,72 84.116,73 14.025,74 0.607,75 1.542,76 33.46,77 10.697,78 109.411,79 13.238,80 0.821,81 1.444,82 32.942,83 10.513,84 171.492,85 12.8,86 0.708,87 1.47,88 31.193,89 10.008,90 111.033,91 12.017,92 0.642,93 1.498,94 32.625,95 10.709,96 115.414,97 12.901,98 0.549,99 1.485,100 31.52,101 11.88,102 112.428,103 14.511,104 34,105 43,106 0.277,107 0.623,108 0.77,109 0.874,110 0.904,111 0.904,112 3.44,113 0.954,114 -3.25,115 -3.24,116 -3.11,117 41.5,119 2,122 1,123 2,125 10,126 2,128 2,129 3,134 1,135 1,136 12,141 3,142 5,143 1,144 13,145 1,148 3,150 3,151 3,152 6,155 9,160 4,161 1,164 5,167 2,172 2,173 5,176 2,178 8,179 1,181 2,182 1,185 8,188 2,189 2,190 8,193 3,194 1,197 6,198 1,201 5,204 7,205 2,207 1,208 5,210 1,212 7,213 1,214 11,215 3,219 5,222 1,223 1,224 6,226 11,227 2,229 1762,230 20.146,231 20.146,232 20.146,233 20.146,234 20.146,235 17.853,236 13.38,237 12.197,238 20.32,239 15.776,240 15.776,241 15.776,242 15.776,243 15.776,244 12.286,245 11.517,246 5.74,247 16.047,248 4.055,249 1.961,250 1.072,251 0.445,252 0.264,253 0.264,254 4.12,257 1,258 1,259 649,260 4.69,261 75.387,262 217.333,263 146.918,265 1.467,266 42.004,268 1,269 1,270 0.83,271 0.8,272 0.5,273 0.83,274 1,275 0.85,276 65.5,277 310,278 4.498,279 3.831,280 6.352,281 4.038,282 3.057,283 4.425,284 2.376,285 9.789,286 2.995,287 4.093,288 3.684,289 6.147,290 3.877,291 2.893,292 3.478,293 1.955,294 9.051,295 2.841,296 3.893,297 3.521,298 5.883,299 3.649,300 2.663,301 3.292,302 1.058,303 8.102,304 2.614,305 3.859,306 3.282,307 5.732,308 3.469,309 2.467,310 3.134,311 0.313,312 7.59,313 2.466,314 3.664,315 2.884,316 5.282,317 3.318,318 2.31,319 2.873,320 0.058,321 6.671,322 2.32,323 3.032,324 2.731,325 4.414,326 2.562,327 1.569,328 2.298,330 4.312,331 1.55,332 3.016,333 2.114,334 4.313,335 2.514,336 1.532,337 2.216,339 3.996,340 1.505,341 2.927,342 1.979,343 3.933,344 2.484,345 1.486,346 2.086,348 3.274,349 1.477,350 2.693,351 1.779,352 3.7,353 2.385,354 1.413,355 1.694,356 3.002,357 1.352,358 2.595,359 1.532,360 3.59,361 2.218,362 1.247,363 1.547,364 2.825,365 1.201,366 2.5,367 1.491,368 3.497,369 2,370 1,371 1.5,372 2.308,373 1,374 2.314,375 1.309,376 3.247,377 1.925,378 0.936,379 1.182,380 2.136,381 0.912,382 1.876,383 1,384 3,385 1.591,386 0.638,387 0.736,388 1.188,389 0.587,390 1.847,391 0.593,392 2.916,393 1.321,394 0.347,395 0.521,396 0.86,397 0.338,398 1.137,399 0.47,400 2.739,401 0.865,402 -0.132,403 -0.157,405 -0.338,406 -0.131,407 14.367,408 0.479,409 0.698,410 0.023,411 37,412 1.233,413 18.5,414 0.617,415 18.5,416 0.617,417 26.642,418 0.888,419 32.433,420 0.612,421 30.329,422 1.011,423 7.267,424 0.242,425 7.206,426 0.24,427 0.151,429 0.313,430 0.776,431 1.136,432 0.852,433 0.965,434 0.65,435 0.896,436 0.494,437 1.312,438 0.918,439 1.165,440 0.493,441 1.132,442 0.822,443 0.995,444 0.934,445 0.975,446 0.892,447 1.033,448 1.414,449 1.028,450 0.972,451 0.894,452 1.394,453 0.942,454 1.09,455 1.077,456 0.842,457 0.955,458 1.064,459 0.891,460 1.389,461 0.976,462 0.944,463 0.885,464 1.418,465 0.911,466 1.515,467 0.891,468 0.984,469 0.816,470 1.518,471 0.883,472 0.854,473 1.038,474 0.986,475 1.057,476 0.838,477 1.015,478 6,479 0.203,480 3.111,481 1.854,482 1.938,483 0.785,484 0.692,485 0.625,486 0.394,487 0.285,488 10969,489 34077,490 2.012,491 43.4,493 14,494 5,496 2,497 2,498 1.736,499 1.875,500 3.342,501 2.419,502 1,503 1,506 88.675,507 1.673,508 3.767,509 4.656,510 5.282,511 5.464,512 5.464,513 2.715,514 4.374,515 4.879,516 3.531,517 1535.82,518 8.554,519 21906.2,521 1,522 1,523 303.58,524 1.436,525 4.831,526 0.188,527 0.007,528 0.072,529 0.043,530 0.047,531 0.018,532 0.016,533 0.015,534 0.009,535 0.007,536 0.421,537 0.17,538 1,539 1.509,540 153.604,541 -0.107,542 0.016,543 -0.062,544 0.027,545 -0.078,546 0.046,547 0.181,548 -0.215,549 -0.103,550 -0.194,551 0.111,552 -0.175,553 0.087,554 0.025,555 -0.061,556 -0.066,557 -0.036,558 -0.08,559 -0.215,560 -0.042,561 -0.053,562 -0.007,563 -0.195,564 -0.014,565 0.185,566 -0.095,567 0.138,568 -0.024,569 0.257,570 0.042,571 -0.083,572 0.04,573 -0.026,574 -0.002,575 -0.089,576 -0.009,577 -0.262,578 0.087,579 -0.07,580 0.085,581 -0.215,582 0.046,583 0.085,584 -0.055,585 -0.022,586 -0.055,587 0.14,588 -0.026,589 2.808,590 5.852,591 0.5,592 28.333,593 1.01,594 1.121,595 2.024,596 4.098,597 0.681,598 3.497,599 3.784,600 4.007,601 4.22,602 4.407,603 4.382,604 4.454,605 4.605,606 4.575,607 4.575,608 6.632,609 0.649,610 425.55,611 3.497,612 5.017,613 5.844,614 6.701,615 7.55,616 8.412,617 9.27,618 10.135,619 10.998,620 11.865,621 5.7,625 2,626 1,627 2,628 10,629 1,630 2,631 16,632 1,637 53,638 19,639 2,640 32,641 55,642 22,643 14,644 3,645 9,646 1,647 3,648 4,650 1,652 4,653 17,654 5,656 3,658 3,659 3,661 1,662 23,663 6,664 4,665 8,666 1,667 3,668 0.667,669 4,672 1,673 1,674 2,675 1,678 1,679 1,684 1,685 2,687 1,690 1,691 30,694 1,695 3,696 1,697 2,700 2,704 7.5,706 1,707 3,709 16,710 8.9,711 6.778,712 2.969,713 2.622,714 1.37,715 0.945,716 7.687,717 9.716,718 3.784,719 4.327,720 4.841,721 5.37,722 5.863,723 6.027,724 6.309,725 6.689,726 6.606,727 6.732,728 0.857,729 43,730 11.203,731 4.861,732 8.052,733 20.671,734 16.746,735 2.552,736 76.556,738 1,739 222.698,740 160.273,741 52.807,743 118.118,744 38.564,745 121.71,746 340.816,747 52.807,749 41.99,750 94.762,751 139.256,752 22.544,753 4.901,754 250.443,756 222.698,757 174.517,758 118.118,759 38.564,760 175.614,761 165.203,763 58.776,764 115.741,766 38.564,767 222.698,768 170.925,769 160.273,771 222.698,772 26.947,773 94.762,774 52.807,775 156.682,776 222.698,777 170.925,778 160.273,779 0.57,780 0.328,781 0.174,782 0.098,783 18,784 9,785 0.164,786 9,787 1,788 1.133,789 4.07,790 256.306,791 0.133,792 15,793 141.207,794 1,797 22.096,798 10.437,799 5.96,800 1.692,801 154.14,802 18.403,803 3.035,804 1.169,805 95.49,806 553.897,807 43,809 37.074,810 -2.14,811 53.527,812 59.405,813 0.292,814 0.658,815 0.813,816 0.922,817 0.954,818 0.954,819 4.997,820 1.486,821 5.814,822 3.996,823 4.466,824 5.014,825 2.941,826 6.583,827 4.434,828 6.184,829 1.413,830 7.351,831 3.274,832 4.007,833 4.758,834 2.591,835 7.394,836 3.976,837 7.472,838 1.247,839 8.987,840 3.002,841 6.019,842 7.152,843 4.136,844 10.466,845 5.957,846 8.794,847 1,848 10.681,849 2.825,850 6.382,851 7.744,852 4.459,853 12.087,854 6.313,855 10.147,856 0.936,857 12.412,858 2.308,859 7.854,860 9.622,861 5.592,862 14.647,863 7.759,864 11.524,865 0.638,866 14.165,867 2.136,868 8.592,869 10.638,870 6.201,871 16.602,872 8.482,873 12.918,874 0.347,875 15.935,876 1.188,877 9.84,878 12.294,879 7.171,880 18.972,881 9.707,882 3.057,883 -0.132,884 17.717,885 0.86,886 10.757,887 13.538,888 7.909,889 21.081,890 10.604,891 2.893,892 9.789,893 19.506,894 -0.338,895 11.908,896 15.094,897 8.813,898 23.376,899 11.734,900 2.663,901 9.051,902 21.302,903 4.425,904 12.913,905 16.457,906 9.612,907 25.558,908 12.716,909 2.467,910 8.102,911 23.103,912 3.478,913 14.024,914 17.97,915 10.488,916 27.827,917 13.806,918 2.31,919 7.59,920 24.907,921 3.292,922 15.072,923 19.395,924 11.318,925 30.046,926 14.832,927 1.569,928 6.671,929 26.715,930 3.134,931 16.169,932 20.89,933 12.183,934 32.306,935 15.907,936 1.532,937 4.312,938 28.526,939 2.873,940 17.239,941 22.346,942 13.029,943 34.546,944 16.955,945 10794,946 19124,947 20.978,948 36.097,949 47.99,950 50.665,951 48.866,952 47.141,953 47.117,954 61.964,955 11.521,956 130.209,957 46.313,958 5.445,959 5.831,960 6.154,961 5.087,962 5.057,963 7.425,964 3.99,965 16.463,966 4.995,967 15.861,968 1.5,969 1.583,970 1.527,971 1.473,972 1.472,973 1.936,974 0.36,975 4.069,976 1.447,977 4.127,978 4.16,979 4.086,980 4.036,981 7.474,982 4.043,983 3.936,984 3.969,985 3.867,986 3.867,987 7.433,988 3.861,989 3.77,990 3.809,991 3.775,992 3.61,993 7.424,994 3.61,995 3.607,996 3.648,997 3.608,998 3.449,999 6.351,1000 3.454,1001 3.431,1002 3.472,1003 3.467,1004 3.303,1005 4.954,1006 3.301,1007 3.246,1008 3.276,1009 3.328,1010 3.088,1011 4.75,1012 3.039,1013 3.062,1014 3.088,1015 2.999,1016 2.842,1017 4.323,1018 2.854,1019 3.029,1020 3.076,1021 2.91,1022 2.813,1023 4.277,1024 2.813,1025 0.141,1026 0.12,1027 0.198,1028 0.126,1029 0.096,1030 4.498,1031 0.138,1032 3.831,1033 0.074,1034 6.352,1035 0.306,1036 4.038,1037 0.094,1038 3.057,1039 4.425,1040 2.376,1041 9.789,1042 2.995,1043 1.927,1044 1.902,1045 2.056,1046 2.029,1047 1.246,1048 2.036,1049 1.926,1050 1.896,1051 2.027,1052 2.009,1053 1.184,1054 2.016,1055 1.708,1056 1.667,1057 1.872,1058 1.907,1059 1.133,1060 1.901,1061 1.616,1062 1.578,1063 1.749,1064 1.819,1065 0.904,1066 1.801,1067 1.449,1068 1.406,1069 1.61,1070 1.636,1071 0.707,1072 1.636,1073 1.156,1074 1.122,1075 1.354,1076 1.415,1077 0.525,1078 1.42,1079 1.02,1080 0.967,1081 1.225,1082 1.246,1083 0.303,1084 1.22,1085 0.962,1086 0.917,1087 1.188,1088 1.217,1089 0.277,1090 1.206,1091 4.174,1092 5.468,1093 2.398,1094 6.944,1095 4.727,1096 8.5,1097 6.843,1098 10.098,1102 9.324,1103 0.714,1104 4.048,1105 5.244,1108 -2.008,1111 34.379,1112 88.675,1113 199.631,1114 246.751,1115 279.97,1116 289.58,1117 289.58,1118 83.078,1119 7.094,1120 111.29,1121 150.09,1122 17,1123 12.411,1124 4.322,1125 3.585,1126 54.817,1127 112,1128 118,1129 0.221,1130 217.847,1131 379.65,1132 523.306,1133 10414,1135 21.51,1136 0.717,1137 0.569,1138 22.01,1139 17.063,1140 14.474,1141 0.452,1142 0.318,1143 9.488,1144 13.7,1145 9.269,1146 7.656,1147 14.827,1148 10.175,1149 12.755,1150 0.297,1151 0.171,1152 13.005,1153 7.345,1154 10.199,1155 0.189,1156 0.092,1157 10.343,1158 4.97,1159 8.09,1160 0.121,1161 0.051,1162 8.275,1163 3.408,1164 6.619,1165 0.082,1166 0.027,1167 6.845,1168 2.215,1169 0.343,1170 93.911,1171 0.218,1172 28.209,1173 0.621,1174 150,1175 476.452,1176 174.489,1177 473.825,1178 619.6,1179 438,1180 172,1181 422.375,1182 191.258,1183 430.003,1184 622.87,1185 405,1186 8.097} {0 CHEMBL138411,1 1.571,2 11.306,3 3.141,4 9.867,5 131.119,6 7.241,7 0.324,8 4.3,9 4.417,10 3.796,11 3.764,12 5.488,13 3.752,14 4.825,15 4.992,16 4.172,17 4.13,18 6.078,19 4.094,20 5.154,21 5.345,22 4.199,23 4.29,24 6.334,25 4.225,26 5.27,27 5.513,28 4.211,29 4.267,30 6.422,31 4.204,32 5.186,33 5.387,34 4.332,35 4.239,36 6.646,37 4.22,38 5.21,39 5.413,40 4.362,41 4.345,42 6.433,43 4.311,44 5.345,45 5.546,46 4.437,47 4.434,48 6.605,49 4.401,50 5.394,51 5.595,52 4.459,53 4.483,54 6.793,55 4.431,56 0.145,57 0.939,58 14.689,59 6.335,60 24.342,61 8.227,62 0.584,63 1.444,64 26.878,65 10.167,66 82.929,67 14.073,68 0.965,69 1.804,70 39.974,71 12.879,72 120.014,73 17.699,74 0.948,75 1.87,76 47.325,77 13.315,78 162.145,79 19.633,80 1.453,81 1.795,82 42.932,83 11.33,84 253.039,85 16.498,86 0.886,87 1.926,88 42.387,89 12.996,90 134.222,91 18.404,92 1.019,93 2.087,94 49.354,95 15.01,96 165.791,97 20.733,98 1.63,99 2.171,100 52.521,101 15.875,102 272.53,103 22.027,104 117,105 51,106 0.249,107 0.558,108 0.685,109 0.781,110 0.819,111 0.833,112 3.616,113 0.931,114 -2.69,115 -2.7,116 -2.63,117 37.7,118 4,119 2,123 3,124 1,125 9,126 2,127 1,129 3,130 1,134 1,135 1,136 12,138 1,139 3,141 5,142 5,143 1,144 17,145 1,148 3,150 3,151 3,152 7,155 9,160 9,161 1,164 10,167 1,172 4,173 7,176 4,178 11,179 1,181 2,182 1,185 12,188 2,189 2,190 8,193 6,194 1,197 15,198 1,200 1,201 8,204 10,205 2,207 3,208 7,210 4,211 1,212 7,213 1,214 17,215 3,219 9,222 3,223 1,224 6,226 20,227 2,229 2770,230 22.739,231 22.739,232 22.739,233 22.739,234 22.739,235 20.615,236 24.627,237 13.44,238 23.031,239 18.25,240 18.25,241 18.25,242 18.25,243 18.25,244 15.027,245 23.57,246 6.455,247 18.702,248 4.537,249 2.58,250 1.776,251 1.171,252 0.928,253 0.841,254 4.275,258 1,259 817,260 5.874,262 310.921,265 1.583,266 61.161,268 1,269 0.5,270 0.83,271 1,272 1,273 0.67,275 0.71,276 80.5,277 407,278 4.179,279 3.858,280 6.448,281 4.074,282 3.136,283 3.626,284 2.376,285 10.161,286 2.936,287 4.112,288 3.789,289 6.198,290 3.933,291 2.948,292 3.476,293 2.189,294 9.227,295 2.89,296 4.034,297 3.695,298 5.997,299 3.772,300 2.783,301 3.253,302 1.982,303 8.565,304 2.746,305 3.873,306 3.594,307 5.704,308 3.589,309 2.601,310 3.177,311 1.922,312 7.438,313 2.557,314 3.867,315 3.167,316 5.372,317 3.508,318 2.523,319 3.05,320 0.427,321 6.993,322 2.482,323 3.665,324 2.817,325 5.279,326 3.343,327 2.344,328 2.847,329 0.333,330 6.636,331 2.333,332 3.423,333 2.732,334 4.889,335 3.053,336 2.078,337 2.659,338 0.174,339 5.682,340 1.997,341 3.379,342 2.453,343 4.883,344 3.001,345 2.016,346 2.535,347 0.026,348 5.575,349 1.965,350 2.931,351 2.078,352 4.257,353 2.528,354 1.531,355 2.087,356 3.857,357 1.521,358 2.6,359 1.967,360 3.854,361 2.314,362 1.338,363 1.566,364 3.123,365 1.294,366 2.5,367 1.897,368 3.571,369 2.054,370 1.058,371 1.5,372 2.642,373 1.036,374 2.5,375 1.491,376 3.414,377 2,378 1,379 1.5,380 2.275,381 1,382 2.371,383 1,384 3.25,385 2,386 1,387 1.251,388 2.136,389 1,390 2.177,391 1,392 3.247,393 1.802,394 0.774,395 0.96,396 1.813,397 0.782,398 1.354,399 0.814,400 3.077,401 1.09,402 0.14,403 0.159,405 0.347,406 0.132,407 16.533,408 0.459,409 1.251,410 0.035,411 40.5,412 1.125,413 18.5,414 0.514,415 22,416 0.611,417 38.083,418 1.058,419 41.667,420 0.604,421 40.006,422 1.111,423 8.256,424 0.229,425 8.58,426 0.238,427 0.242,428 0.03,429 0.302,430 0.809,431 1.334,432 0.857,433 1.18,434 0.708,435 1.045,436 0.488,437 1.254,438 0.778,439 1.169,440 0.452,441 1.06,442 1.123,443 1.1,444 1.199,445 1.131,446 0.982,447 1.176,448 1.135,449 1.044,450 0.936,451 0.917,452 1.186,453 0.88,454 1.129,455 1.012,456 1.009,457 0.859,458 1.168,459 0.885,460 1.055,461 1.066,462 0.964,463 0.996,464 1.068,465 0.953,466 1.277,467 1.079,468 1.019,469 1.01,470 1.295,471 0.959,472 1.088,473 0.912,474 1.053,475 0.919,476 1.105,477 0.964,478 10.5,479 0.463,480 3.778,481 2.313,482 2.093,483 1.236,484 1.182,485 1.017,486 0.745,487 0.567,488 16393,489 51565,490 1.882,491 47.8,493 12,494 5,496 16,498 1.785,499 1.708,500 3.455,501 2.272,506 108.405,507 1.571,508 3.528,509 4.332,510 4.938,511 5.18,512 5.267,513 2.818,514 4.593,515 5.141,516 3.659,517 2305.31,518 9.101,519 37995.8,523 421.488,524 1.697,525 5.053,526 0.284,527 0.009,528 0.074,529 0.047,530 0.042,531 0.022,532 0.02,533 0.016,534 0.012,535 0.01,536 0.535,537 0.17,538 0.63,539 1.584,540 195.333,541 -0.095,542 -0.039,543 -0.006,544 0.013,545 -0.097,546 0.025,547 0.262,548 -0.08,549 0.12,550 -0.066,551 0.175,552 -0.02,553 -0.097,554 -0.02,555 -0.229,556 -0.123,557 -0.118,558 -0.201,559 -0.124,560 -0.082,561 0.071,562 0.022,563 -0.109,564 0.083,565 0.092,566 0.041,567 0.018,568 0.067,569 0.138,570 0.034,571 -0.066,572 0.017,573 0.01,574 -0.009,575 -0.066,576 0.016,577 -0.161,578 -0.058,579 -0.021,580 -0.023,581 -0.124,582 0.008,583 0.05,584 0.107,585 -0.05,586 0.06,587 0.08,588 -0.004,589 2.884,590 6.313,591 0.333,592 39.056,593 1.012,594 1.133,595 1.456,596 2.12,597 0.632,598 3.638,599 3.951,600 4.025,601 4.19,602 4.357,603 4.331,604 4.443,605 4.543,606 4.543,607 4.511,608 7.406,609 0.608,610 499.62,611 3.638,612 5.176,613 5.964,614 6.821,615 7.629,616 8.486,617 9.304,618 10.16,619 10.985,620 11.842,621 4.3,625 3,628 9,630 3,631 12,634 1,637 69,638 16,639 2,640 37,641 70,642 26,643 12,644 3,645 9,647 2,648 2,650 4,652 5,653 16,654 10,655 1,656 4,658 4,659 4,662 33,663 10,664 5,665 10,667 3,668 1,669 7,674 2,678 2,679 1,683 1,684 1,685 2,688 4,691 36,694 2,695 2,697 3,698 1,700 3,702 1,704 10.1,706 2,707 4,708 1,709 21.083,710 12.983,711 7.875,712 3.871,713 1.546,714 1.222,715 0.873,716 10.751,717 8.508,718 3.871,719 4.357,720 4.644,721 5.024,722 5.459,723 5.291,724 5.47,725 5.778,726 5.929,727 5.923,728 1,729 49,730 13.517,731 5.812,732 8.192,733 24.5,734 19.296,735 2.692,736 96.917,739 329.591,740 149.109,741 54.032,743 196.946,745 149.109,746 526.537,747 54.032,748 35.301,749 59.101,750 85.286,751 196.266,752 17.371,753 6.763,754 329.591,756 329.591,757 203.141,758 196.946,760 141.253,761 385.284,763 94.402,764 108.739,767 329.591,768 250.979,769 149.109,771 329.591,772 28.522,773 120.587,774 54.032,775 196.946,776 329.591,777 250.979,778 149.109,779 0.586,780 0.3,781 0.144,782 0.081,783 19,784 12,785 0.171,786 12,788 1,789 4.36,790 319.818,792 12,793 173.362,797 29.142,798 13.282,799 10.604,801 250.979,802 15.049,804 1.44,805 139.399,806 729.678,807 47,809 49.889,810 -3.37,811 69.851,812 78.189,813 0.257,814 0.578,815 0.709,816 0.808,817 0.848,818 0.862,819 5.118,820 2.016,821 5.989,822 5.682,823 4.635,824 5.043,825 3.46,826 6.753,827 4.586,828 6.316,829 1.531,830 7.535,831 5.575,832 4.443,833 4.879,834 3.1,835 7.745,836 4.361,837 7.608,838 1.338,839 9.18,840 3.857,841 6.244,842 7.028,843 4.714,844 10.65,845 6.133,846 8.921,847 1.058,848 10.879,849 3.123,850 6.758,851 7.498,852 4.964,853 12.37,854 6.604,855 10.256,856 1,857 12.611,858 2.642,859 8.124,860 9.245,861 6.144,862 14.861,863 7.94,864 11.604,865 1,866 14.364,867 2.275,868 8.942,869 9.989,870 6.666,871 16.886,872 8.708,873 12.962,874 0.774,875 16.133,876 2.136,877 10.142,878 11.57,879 7.664,880 19.238,881 9.876,882 3.136,883 0.14,884 17.913,885 1.813,886 11.105,887 12.464,888 8.328,889 21.402,890 10.783,891 2.948,892 10.161,893 19.703,894 0.347,895 12.241,896 13.955,897 9.241,898 23.706,899 11.88,900 2.783,901 9.227,902 21.5,903 3.626,904 13.275,905 14.946,906 9.983,907 25.936,908 12.857,909 2.601,910 8.565,911 23.304,912 3.476,913 14.388,914 16.378,915 10.856,916 28.227,917 13.924,918 2.523,919 7.438,920 25.112,921 3.253,922 15.459,923 17.438,924 11.642,925 30.49,926 14.937,927 2.344,928 6.993,929 26.926,930 3.177,931 16.566,932 18.828,933 12.497,934 32.779,935 15.993,936 2.078,937 6.636,938 28.743,939 3.05,940 17.658,941 19.942,942 13.31,943 35.06,944 17.026,945 16764,946 29883,947 22.77,948 43.62,949 55.822,950 57.626,951 56.262,952 54.609,953 54.544,954 67.286,955 18.859,956 152.939,957 53.342,958 5.149,959 5.858,960 6.25,961 5.145,962 5.136,963 6.626,964 4.079,965 16.719,966 4.936,967 25.691,968 1.509,969 1.557,970 1.521,971 1.476,972 1.474,973 1.819,974 0.51,975 4.133,976 1.442,977 3.98,978 4.014,979 3.91,980 3.893,981 7.475,982 3.891,983 3.91,984 3.939,985 3.84,986 3.847,987 7.438,988 3.842,989 3.768,990 3.805,991 3.696,992 3.583,993 7.429,994 3.601,995 3.731,996 3.772,997 3.641,998 3.54,999 7.423,1000 3.552,1001 3.638,1002 3.683,1003 3.542,1004 3.442,1005 6.471,1006 3.461,1007 3.473,1008 3.518,1009 3.376,1010 3.294,1011 6.351,1012 3.302,1013 3.197,1014 3.208,1015 3.135,1016 2.893,1017 4.754,1018 2.945,1019 3.069,1020 3.094,1021 2.985,1022 2.844,1023 4.628,1024 2.863,1025 0.113,1026 0.104,1027 0.174,1028 0.11,1029 0.085,1030 4.179,1031 0.098,1032 3.858,1033 0.064,1034 6.448,1035 0.275,1036 4.074,1037 0.079,1038 3.136,1039 3.626,1040 2.376,1041 10.161,1042 2.936,1043 1.931,1044 1.902,1045 2.059,1046 2.042,1047 1.255,1048 2.045,1049 1.913,1050 1.887,1051 2.034,1052 2.005,1053 1.218,1054 2.016,1055 1.702,1056 1.656,1057 1.946,1058 1.91,1059 1.118,1060 1.915,1061 1.67,1062 1.625,1063 1.851,1064 1.89,1065 1.001,1066 1.878,1067 1.57,1068 1.525,1069 1.751,1070 1.794,1071 0.907,1072 1.782,1073 1.425,1074 1.378,1075 1.64,1076 1.641,1077 0.846,1078 1.638,1079 1.027,1080 1.005,1081 1.417,1082 1.364,1083 0.469,1084 1.308,1085 0.983,1086 0.937,1087 1.417,1088 1.271,1089 0.469,1090 1.308,1091 4.317,1092 5.631,1094 7.098,1096 8.629,1098 10.194,1099 6.377,1102 18.716,1103 0.152,1105 7.567,1106 5.288,1108 -3.392,1110 -0.799,1111 41.97,1112 108.405,1113 243.454,1114 298.92,1115 340.694,1116 357.449,1117 363.449,1118 169.816,1119 6.962,1120 154.06,1121 154.06,1122 12,1123 12.402,1124 4.087,1125 3.459,1126 92.121,1127 155,1128 162,1129 0.276,1130 264.467,1131 479.97,1132 637.06,1133 8249,1135 26.88,1136 0.747,1137 0.577,1138 26.88,1139 20.778,1140 16.835,1141 0.455,1142 0.31,1143 11.319,1144 16.1,1145 10.913,1146 9.142,1147 16.835,1148 11.487,1149 16.374,1150 0.321,1151 0.184,1152 16.374,1153 9.389,1154 10.964,1155 0.199,1156 0.091,1157 10.964,1158 5.028,1159 8.332,1160 0.128,1161 0.05,1162 8.332,1163 3.234,1164 6.43,1165 0.084,1166 0.028,1167 6.43,1168 2.12,1169 0.428,1170 106.462,1171 0.21,1172 32.699,1173 0.775,1174 176,1175 607.976,1176 200.54,1177 573.839,1178 737.85,1179 526,1180 194,1181 506.794,1182 214.392,1183 507.831,1184 723.76,1185 473,1186 5} {0 CHEMBL138731,1 1.582,2 10.923,3 2.604,4 6.781,5 102.921,6 7.047,7 0.231,8 4.027,9 4.152,10 3.503,11 3.537,12 5.13,13 3.475,14 4.569,15 4.756,16 3.797,17 3.896,18 5.695,19 3.792,20 4.905,21 5.14,22 3.855,23 4.033,24 5.96,25 3.905,26 4.982,27 5.237,28 3.912,29 4.01,30 6.056,31 3.902,32 4.926,33 5.147,34 4.059,35 3.979,36 6.342,37 3.902,38 4.936,39 5.163,40 3.89,41 3.966,42 6.159,43 3.873,44 4.908,45 5.14,46 3.804,47 3.99,48 6.008,49 3.867,50 4.924,51 5.173,52 3.824,53 4.028,54 6.106,55 3.864,56 0.048,57 0.735,58 12.944,59 5.437,60 14.746,61 7.117,62 0.284,63 1.144,64 23.414,65 8.818,66 59.647,67 12.064,68 0.519,69 1.418,70 34.005,71 11.024,72 87.337,73 15.393,74 0.523,75 1.438,76 37.833,77 10.756,78 103.985,79 15.36,80 0.803,81 1.373,82 37.129,83 10.23,84 177.42,85 14.142,86 0.719,87 1.354,88 36.643,89 10.068,90 133.769,91 13.859,92 0.543,93 1.336,94 35.008,95 10.682,96 113.962,97 14.613,98 0.494,99 1.369,100 36.399,101 12.414,102 120.011,103 16.586,104 71,105 33,106 0.268,107 0.59,108 0.78,109 0.848,110 0.863,111 0.863,112 3.303,113 1.089,114 -3.38,115 -3.37,116 -3.22,117 35.2,118 2,119 4,120 1,122 1,123 2,125 5,126 1,129 3,134 1,135 1,136 11,139 1,141 3,142 3,143 1,144 12,145 1,148 3,150 2,151 2,152 4,155 7,160 4,161 1,164 4,167 4,172 2,173 6,176 2,178 6,179 1,181 4,182 1,185 6,188 1,189 1,190 4,193 5,194 1,197 4,198 1,201 3,204 8,205 3,207 1,208 5,210 1,212 5,214 7,215 1,219 3,224 3,226 8,227 1,229 1220,230 16.836,231 16.836,232 16.836,233 16.836,234 16.836,235 15.618,236 13.766,237 10.41,238 16.956,239 12.794,240 12.794,241 12.794,242 12.794,243 12.794,244 10.91,245 11.451,246 4.881,247 12.965,248 4.173,249 2.272,250 1.146,251 0.746,252 0.658,253 0.658,254 3.946,256 1,257 1,258 1,259 556,260 5.05,262 111.69,265 1.627,266 38.256,268 1,269 0.83,270 0.83,271 1,272 1,273 0.83,274 0.5,275 0.86,276 57,277 284,278 4.058,279 3.83,280 6.141,281 3.887,282 2.903,283 3.448,284 2.376,285 9.009,286 2.847,287 3.908,288 3.686,289 5.849,290 3.635,291 2.648,292 3.22,293 1.969,294 7.979,295 2.603,296 3.807,297 3.524,298 5.359,299 3.532,300 2.531,301 2.965,302 1.891,303 7.011,304 2.53,305 3.534,306 3.282,307 4.962,308 3.214,309 2.195,310 2.704,311 0.351,312 5.826,313 2.225,314 3.151,315 2.698,316 4.658,317 3.056,318 2.046,319 2.159,320 0.144,321 5.043,322 2.058,323 2.915,324 2.352,325 3.99,326 2.496,327 1.498,328 2.079,330 3.334,331 1.494,332 2.65,333 2.075,334 3.674,335 2.4,336 1.429,337 1.602,339 3.098,340 1.362,341 2.5,342 1.796,343 3.594,344 2.136,345 1.17,346 1.5,348 2.659,349 1.116,350 2.329,351 1.61,352 3.247,353 2,354 1,355 1.261,356 2.136,357 1,358 1.877,359 1.007,360 3.048,361 1.624,362 0.68,363 0.758,364 1.332,365 0.623,366 1.77,367 1,368 2.831,369 1.528,370 0.521,371 0.604,372 1.104,373 0.518,374 0.898,375 0.588,376 2.439,377 0.716,378 -0.274,379 -0.294,380 -0.706,381 -0.27,382 0.806,383 0.468,384 2.199,385 0.526,386 -0.397,387 -0.427,388 -0.721,389 -0.352,390 0.781,391 0.359,392 1.832,393 0.418,394 -0.61,395 -0.776,396 -1.343,397 -0.622,398 0.5,399 -0.077,400 1.587,401 0.058,402 -1,403 -1,405 -2,406 -0.895,407 12.467,408 0.479,409 0.671,410 0.026,411 25.5,412 0.981,413 10.5,414 0.404,415 15,416 0.577,417 28.14,418 1.082,419 30.733,420 0.569,421 19.479,422 0.749,423 4.552,424 0.175,425 7.776,426 0.299,427 0.254,429 0.281,430 0.744,431 1.327,432 0.952,433 1.17,434 0.652,435 1.118,436 0.449,437 1.329,438 0.931,439 1.211,440 0.465,441 1.191,442 0.886,443 1.048,444 0.951,445 1.001,446 0.943,447 1.067,448 1.251,449 0.953,450 0.857,451 0.821,452 1.22,453 0.856,454 1.121,455 1.069,456 0.876,457 0.964,458 1.067,459 0.933,460 1.593,461 0.904,462 1.035,463 0.847,464 1.612,465 0.946,466 1.421,467 0.928,468 1.01,469 0.886,470 1.45,471 0.987,472 0.7,473 1.05,474 0.935,475 1.083,476 0.697,477 1.052,478 6,479 0.136,480 2.444,481 1.438,482 1.591,483 0.757,484 0.491,485 0.54,486 0.251,487 0.15,488 7016,489 21224,490 1.851,491 51.9,492 9,493 9,494 4,495 2,496 2,497 2,498 1.695,499 1.696,500 3.401,501 1.735,502 1,503 1,506 85.447,507 1.582,508 3.483,509 4.609,510 5.009,511 5.097,512 5.097,513 2.869,514 4.316,515 4.671,516 3.584,517 1164.96,518 8.115,519 15289.1,521 1,522 1,523 310.764,524 1.534,525 4.599,526 0.231,527 0.008,528 0.074,529 0.044,530 0.047,531 0.02,532 0.015,533 0.018,534 0.008,535 0.007,536 0.472,537 0.33,538 0.88,539 2.781,540 128.836,541 -0.075,542 -0.039,543 -0.059,544 -0.019,545 -0.058,546 -0.001,547 0.217,548 -0.176,549 -0.047,550 -0.159,551 0.143,552 -0.131,553 0.035,554 -0.021,555 -0.072,556 -0.079,557 -0.064,558 -0.094,559 -0.126,560 0.004,561 0.05,562 0.049,563 -0.118,564 0.074,565 0.185,566 -0.065,567 0.101,568 -0.048,569 0.247,570 -0.001,571 -0.185,572 0.082,573 -0.096,574 0.021,575 -0.164,576 -0.039,577 -0.215,578 0.036,579 -0.097,580 0.024,581 -0.192,582 -0.037,583 0.152,584 -0.096,585 0.025,586 -0.081,587 0.182,588 -0.044,589 2.772,590 5.464,591 0.231,592 25.231,593 1.001,594 1.132,595 2.153,596 4.635,597 0.637,598 3.296,599 3.526,600 3.611,601 3.738,602 3.85,603 3.638,604 3.611,605 3.638,606 3.466,607 3.296,608 6.611,609 0.591,610 380.56,611 3.296,612 4.779,613 5.549,614 6.372,615 7.168,616 7.991,617 8.797,618 9.62,619 10.432,620 11.254,621 3.7,625 2,628 5,630 1,631 6,637 54,638 9,639 1,640 26,641 54,642 19,643 6,644 1,645 5,647 1,648 1,650 3,652 6,653 9,654 10,655 1,656 3,658 3,659 3,660 1,661 1,662 28,663 6,664 3,665 7,666 1,667 2,668 1,669 4,674 1,678 2,679 1,684 1,685 1,687 1,688 2,690 1,691 26,694 1,695 5,696 1,697 2,700 3,704 7.4,706 1,707 3,709 15.333,710 9.567,711 6.056,712 3.261,713 1.046,714 1.17,715 0.871,716 10.372,717 7.192,718 3.497,719 3.882,720 4.123,721 4.426,722 4.804,723 4.401,724 4.432,725 4.618,726 4.684,727 4.477,728 1,729 33,730 9.736,731 4.022,732 8.092,733 18.093,734 14.106,735 2.592,736 67.389,738 1,739 293.325,740 128.138,741 36.022,743 118.118,744 38.564,745 89.574,746 411.443,747 36.022,748 17.65,749 47.059,750 47.381,751 139.256,752 3.186,754 321.07,756 293.325,757 125.596,758 118.118,759 38.564,760 246.24,761 165.203,763 64.71,764 60.886,766 38.564,767 293.325,768 154.14,769 128.138,771 293.325,772 24.543,773 65.032,774 36.022,775 156.682,776 293.325,777 154.14,778 128.138,779 0.559,780 0.298,781 0.155,782 0.09,783 10,784 7,785 0.204,786 11,788 1,789 3.678,790 187.24,792 6,793 116.211,794 1,797 22.521,798 11.974,799 9.131,801 154.14,802 9.628,804 1.048,805 78.705,806 575.602,807 32,809 35.918,810 -1.803,811 54.076,812 61.152,813 0.275,814 0.605,815 0.801,816 0.87,817 0.886,818 0.886,819 4.696,820 1.17,821 5.509,822 3.098,823 4.205,824 4.564,825 3.124,826 6.205,827 4.182,828 5.833,829 1,830 7.008,831 2.659,832 3.761,833 4.227,834 2.848,835 6.923,836 3.75,837 7.079,838 0.68,839 8.604,840 2.136,841 5.687,842 6.425,843 4.347,844 9.92,845 5.642,846 8.348,847 0.521,848 10.257,849 1.332,850 5.994,851 6.783,852 4.665,853 11.423,854 5.953,855 9.645,856 -0.274,857 11.945,858 1.104,859 7.427,860 8.551,861 5.772,862 13.934,863 7.355,864 10.959,865 -0.397,866 13.657,867 -0.706,868 8.086,869 9.21,870 6.354,871 15.781,872 8.008,873 12.286,874 -0.61,875 15.386,876 -0.721,877 9.303,878 10.804,879 7.306,880 18.1,881 9.198,882 2.903,883 -1,884 17.129,885 -1.343,886 10.143,887 11.616,888 8.019,889 20.113,890 10.023,891 2.648,892 9.009,893 18.881,894 -2,895 11.26,896 13.121,897 8.908,898 22.35,899 11.116,900 2.531,901 7.979,902 20.642,903 3.448,904 12.194,905 14.028,906 9.689,907 24.445,908 12.031,909 2.195,910 7.011,911 22.409,912 3.22,913 13.265,914 15.474,915 10.553,916 26.65,917 13.08,918 2.046,919 5.826,920 24.18,921 2.965,922 14.25,923 16.448,924 11.371,925 28.787,926 14.044,927 1.498,928 5.043,929 25.957,930 2.704,931 15.303,932 17.851,933 12.228,934 30.979,935 15.075,936 1.429,937 3.334,938 27.737,939 2.159,940 16.315,941 18.877,942 13.065,943 33.139,944 16.066,945 7414,946 13008,947 16.008,948 34.375,949 37.923,950 40.749,951 38.856,952 37.27,953 37.239,954 44.601,955 13.463,956 97.064,957 36.751,958 5.016,959 5.83,960 5.943,961 4.912,962 4.903,963 6.448,964 3.99,965 15.387,966 4.847,967 17.268,968 1.459,969 1.567,970 1.494,971 1.433,972 1.432,973 1.715,974 0.518,975 3.733,976 1.414,977 3.942,978 3.979,979 3.866,980 3.87,981 7.474,982 3.862,983 3.843,984 3.887,985 3.798,986 3.692,987 7.432,988 3.695,989 3.698,990 3.746,991 3.69,992 3.561,993 7.423,994 3.542,995 3.574,996 3.626,997 3.482,998 3.403,999 6.351,1000 3.406,1001 3.384,1002 3.436,1003 3.445,1004 3.22,1005 4.751,1006 3.204,1007 3.237,1008 3.26,1009 3.241,1010 3.055,1011 4.333,1012 3.021,1013 3.041,1014 3.079,1015 2.932,1016 2.808,1017 4.267,1018 2.831,1019 2.874,1020 3.009,1021 2.757,1022 2.735,1023 4.035,1024 2.715,1025 0.156,1026 0.147,1027 0.236,1028 0.149,1029 0.112,1030 4.058,1031 0.133,1032 3.83,1033 0.091,1034 6.141,1035 0.347,1036 3.887,1037 0.109,1038 2.903,1039 3.448,1040 2.376,1041 9.009,1042 2.847,1043 1.924,1044 1.894,1045 2.061,1046 2.022,1047 1.317,1048 2.034,1049 1.796,1050 1.746,1051 2.011,1052 1.973,1053 1.235,1054 1.983,1055 1.669,1056 1.622,1057 1.863,1058 1.859,1059 1.19,1060 1.872,1061 1.541,1062 1.491,1063 1.758,1064 1.748,1065 0.913,1066 1.753,1067 1.35,1068 1.295,1069 1.598,1070 1.563,1071 0.806,1072 1.583,1073 1.136,1074 1.105,1075 1.417,1076 1.408,1077 0.516,1078 1.407,1079 0.939,1080 0.902,1081 1.339,1082 1.239,1083 0.469,1084 1.308,1085 0.934,1086 0.821,1087 1.188,1088 1.239,1089 0.304,1090 1.198,1091 3.97,1092 5.22,1094 6.635,1096 8.125,1098 9.656,1099 3.887,1102 9.173,1103 1.858,1104 4.018,1105 5.242,1108 -1.579,1111 31.938,1112 85.447,1113 188.079,1114 248.89,1115 270.499,1116 275.254,1117 275.254,1118 122.956,1119 6.146,1120 95.5,1121 134.3,1122 6,1123 11.836,1124 3.322,1125 2.807,1126 76.176,1127 98,1128 106,1129 0.359,1130 208.772,1131 373.83,1132 501.163,1133 3042,1135 19.527,1136 0.751,1137 0.622,1138 20.027,1139 16.168,1140 12.329,1141 0.474,1142 0.363,1143 8.767,1144 11.61,1145 8.444,1146 7.08,1147 12.682,1148 9.437,1149 10.818,1150 0.328,1151 0.215,1152 11.068,1153 7.094,1154 7.353,1155 0.204,1156 0.115,1157 7.498,1158 4.133,1159 5.561,1160 0.136,1161 0.068,1162 5.747,1163 2.789,1164 4.452,1165 0.097,1166 0.038,1167 4.677,1168 1.746,1169 0.566,1170 80.633,1171 0.25,1172 25.422,1173 0.979,1174 118,1175 384.12,1176 140.435,1177 379.434,1178 477.61,1179 348,1180 128,1181 305.121,1182 144.344,1183 309.877,1184 440.38,1185 290,1186 6.523} {0 CHEMBL138798,1 1.655,2 11.069,3 2.486,4 6.18,5 110.656,6 7.859,7 0.4,8 4.042,9 4.146,10 3.626,11 3.577,12 5.23,13 3.546,14 4.543,15 4.687,16 3.918,17 3.912,18 5.783,19 3.852,20 4.855,21 5.057,22 3.972,23 4.016,24 6.036,25 3.934,26 4.872,27 5.08,28 3.976,29 3.98,30 6.035,31 3.912,32 4.878,33 5.071,34 4.146,35 3.977,36 6.353,37 3.937,38 4.894,39 5.092,40 4.063,41 3.978,42 6.224,43 3.936,44 4.862,45 5.057,46 4.008,47 4.006,48 6.1,49 3.948,50 4.872,51 5.067,52 4.025,53 4.043,54 6.205,55 3.956,56 0.098,57 0.72,58 11.142,59 5.194,60 18.387,61 6.147,62 0.363,63 1.121,64 20.296,65 8.341,66 59.706,67 10.331,68 0.784,69 1.4,70 31.266,71 10.546,72 101.726,73 13.439,74 0.613,75 1.389,76 32.437,77 10.319,78 103.83,79 13.011,80 0.876,81 1.385,82 33.837,83 10.416,84 176.152,85 12.885,86 0.913,87 1.402,88 33.624,89 9.99,90 131.1,91 12.312,92 0.628,93 1.368,94 31.73,95 10.336,96 108.011,97 12.697,98 0.666,99 1.369,100 33.414,101 11.815,102 125.875,103 14.299,104 34,105 38,106 0.277,107 0.603,108 0.741,109 0.834,110 0.876,111 0.883,112 3.408,113 0.978,114 -3.11,115 -3.11,116 -2.99,117 39.6,119 2,122 2,123 2,125 10,126 1,127 1,129 3,134 1,135 1,136 11,139 2,141 3,142 2,143 1,144 12,145 1,147 1,148 4,150 3,151 2,152 3,155 7,160 4,161 1,164 3,167 1,172 2,173 6,176 2,178 7,179 1,181 1,182 1,184 1,185 8,188 2,189 1,190 6,193 1,194 1,197 8,198 1,201 3,204 4,205 2,207 1,208 8,209 1,210 1,212 4,214 6,215 2,218 1,219 5,222 1,224 4,226 8,227 1,229 1721,230 19.405,231 19.405,232 19.405,233 19.405,234 19.405,235 17.436,236 16.666,237 12.073,238 19.643,239 14.794,240 14.794,241 14.794,242 14.794,243 14.794,244 11.876,245 15.288,246 5.703,247 15.163,248 4.073,249 2.121,250 1.297,251 0.745,252 0.491,253 0.453,254 4.074,257 1,258 1,259 652,260 4.796,262 243.315,265 1.589,266 42.905,268 1,269 0.83,270 0.83,271 1,272 1,273 0.67,274 0.5,275 0.83,276 64,277 321,278 4.09,279 3.834,280 6.15,281 3.898,282 2.914,283 3.475,284 2.376,285 9.059,286 2.86,287 3.908,288 3.694,289 5.858,290 3.651,291 2.667,292 3.447,293 2.039,294 8.034,295 2.614,296 3.89,297 3.546,298 5.361,299 3.495,300 2.542,301 3.183,302 1.944,303 7.022,304 2.428,305 3.749,306 3.282,307 5.288,308 3.389,309 2.393,310 2.951,311 0.893,312 6.741,313 2.366,314 3.524,315 2.825,316 4.96,317 3.173,318 2.154,319 2.698,320 0.345,321 5.793,322 2.177,323 2.933,324 2.731,325 4.113,326 2.526,327 1.534,328 2.09,329 0.14,330 3.595,331 1.518,332 2.912,333 2.113,334 3.71,335 2.458,336 1.483,337 2.076,339 3.129,340 1.435,341 2.659,342 1.976,343 3.628,344 2.384,345 1.413,346 1.615,348 3.002,349 1.349,350 2.5,351 1.746,352 3.534,353 2.12,354 1.154,355 1.5,356 2.645,357 1.102,358 2.5,359 1.491,360 3.247,361 2,362 1,363 1.5,364 2.136,365 1,366 2.385,367 1.24,368 3.247,369 2,370 1,371 1.309,372 2.136,373 1,374 1.879,375 1,376 3.059,377 1.61,378 0.681,379 0.76,380 1.336,381 0.61,382 1.775,383 1,384 2.904,385 1.453,386 0.53,387 0.618,388 1.135,389 0.48,390 1.137,391 0.597,392 2.592,393 0.868,394 -0.121,395 -0.142,396 -0.309,397 -0.119,398 0.809,399 0.478,400 2.255,401 0.528,402 -0.395,403 -0.425,405 -0.711,406 -0.35,407 13.8,408 0.476,409 0.596,410 0.021,411 34.5,412 1.19,413 17,414 0.586,415 17.5,416 0.603,417 25.618,418 0.883,419 32.4,420 0.611,421 28.189,422 0.972,423 6.933,424 0.239,425 7.057,426 0.243,427 0.157,429 0.254,430 0.781,431 1.208,432 0.866,433 1.068,434 0.661,435 0.978,436 0.666,437 1.306,438 0.972,439 1.203,440 0.542,441 1.175,442 0.938,443 0.945,444 0.977,445 0.939,446 0.993,447 1.018,448 1.29,449 1.054,450 0.95,451 0.924,452 1.279,453 0.958,454 1.071,455 1.109,456 0.844,457 0.973,458 1.064,459 0.907,460 1.365,461 0.919,462 0.961,463 0.828,464 1.453,465 0.884,466 1.38,467 0.958,468 0.969,469 0.893,470 1.433,471 0.932,472 1.008,473 1.021,474 1.01,475 1.066,476 0.927,477 1.018,478 5.5,479 0.153,480 2.444,481 1.375,482 1.582,483 0.764,484 0.552,485 0.552,486 0.309,487 0.206,488 9998,489 32569,490 1.957,491 45.3,493 16,494 4,496 2,497 2,498 1.726,499 1.832,500 3.426,501 1.663,502 1,503 1,506 87.692,507 1.655,508 3.607,509 4.431,510 4.982,511 5.237,512 5.275,513 2.823,514 4.444,515 4.827,516 3.609,517 1465.3,518 8.447,519 20864.3,521 1,522 1,523 303.58,524 1.384,525 4.785,526 0.183,527 0.006,528 0.064,529 0.036,530 0.043,531 0.018,532 0.014,533 0.014,534 0.008,535 0.006,536 0.392,537 0.33,538 0.88,539 1.541,540 148.368,541 -0.086,542 -0.035,543 -0.056,544 -0.024,545 -0.072,546 0.01,547 0.123,548 -0.205,549 -0.122,550 -0.208,551 0.094,552 -0.199,553 0.073,554 0.071,555 -0.082,556 -0.033,557 -0.059,558 -0.073,559 -0.18,560 -0.075,561 -0.033,562 -0.025,563 -0.164,564 -0.018,565 0.144,566 -0.121,567 0.132,568 -0.046,569 0.242,570 0.025,571 -0.07,572 0.084,573 -0.027,574 0.044,575 -0.101,576 0.017,577 -0.213,578 0.023,579 -0.055,580 0.016,581 -0.179,582 0.005,583 0.039,584 -0.061,585 -0.018,586 -0.066,587 0.117,588 -0.032,589 2.815,590 5.692,591 0.414,592 29.712,593 1.012,594 1.123,595 1.879,596 3.532,597 0.666,598 3.434,599 3.664,600 3.807,601 3.951,602 4.111,603 3.951,604 4.007,605 4.094,606 4.06,607 3.97,608 6.883,609 0.634,610 416.54,611 3.434,612 4.92,613 5.707,614 6.529,615 7.338,616 8.163,617 8.979,618 9.806,619 10.627,620 11.455,621 3.8,625 2,628 10,630 2,631 12,635 1,637 53,638 15,639 2,640 30,641 54,642 21,643 12,644 2,645 10,647 2,648 2,650 1,652 4,653 15,654 6,656 3,658 3,659 3,661 1,662 24,663 7,664 3,665 8,666 1,667 2,668 1,669 5,674 2,678 2,679 1,684 1,685 2,687 1,690 1,691 29,694 1,695 4,696 1,697 2,698 1,700 2,704 9.4,706 1,707 3,708 1,709 15.833,710 8.817,711 6.722,712 2.914,713 1.641,714 1.249,715 0.903,716 9.711,717 8.222,718 3.689,719 4.127,720 4.472,721 4.846,722 5.285,723 4.958,724 5.121,725 5.383,726 5.546,727 5.461,728 1,729 38,730 10.823,731 4.553,732 8.111,733 19.841,734 15.453,735 2.611,736 75.722,738 1,739 246.24,740 162.635,741 36.022,743 129.118,744 38.564,745 124.072,746 375.358,747 36.022,749 46.583,750 94.762,751 139.256,752 19.429,754 273.986,756 246.24,757 160.093,758 129.118,759 38.564,760 199.156,761 176.202,763 46.583,764 113.511,766 38.564,767 246.24,768 165.14,769 162.635,771 246.24,772 29.309,773 94.762,774 36.022,775 167.682,776 246.24,777 165.14,778 162.635,779 0.557,780 0.309,781 0.16,782 0.092,783 13,784 7,785 0.204,786 11,788 1,789 4.029,790 227.813,792 12,793 132.881,794 1,797 22.946,798 12.273,799 8.278,801 165.14,802 17.988,804 1.365,805 78.705,806 574.015,807 39,809 36.346,810 -2.202,811 53.636,812 59.531,813 0.289,814 0.63,815 0.774,816 0.87,817 0.914,818 0.921,819 4.875,820 1.413,821 5.645,822 3.129,823 4.344,824 4.812,825 3.235,826 6.337,827 4.298,828 6.017,829 1.154,830 7.133,831 3.002,832 3.761,833 4.331,834 2.848,835 7.008,836 3.721,837 7.265,838 1,839 8.72,840 2.645,841 5.82,842 6.754,843 4.445,844 10.039,845 5.732,846 8.538,847 1,848 10.366,849 2.136,850 6.043,851 6.989,852 4.7,853 11.527,854 5.953,855 9.839,856 0.681,857 12.049,858 2.136,859 7.553,860 8.94,861 5.869,862 14.042,863 7.424,864 11.158,865 0.53,866 13.758,867 1.336,868 8.161,869 9.5,870 6.41,871 15.88,872 8.021,873 12.489,874 -0.121,875 15.484,876 1.135,877 9.422,878 11.238,879 7.399,880 18.197,881 9.251,882 2.914,883 -0.395,884 17.223,885 -0.309,886 10.23,887 11.979,888 8.084,889 20.204,890 10.043,891 2.667,892 9.059,893 18.972,894 -0.711,895 11.37,896 13.592,897 8.991,898 22.441,899 11.159,900 2.542,901 8.034,902 20.729,903 3.475,904 12.285,905 14.452,906 9.753,907 24.534,908 12.056,909 2.393,910 7.022,911 22.492,912 3.447,913 13.369,914 15.978,915 10.625,916 26.739,917 13.119,918 2.154,919 6.741,920 24.26,921 3.183,922 14.343,923 16.924,924 11.429,925 28.877,926 14.074,927 1.534,928 5.793,929 26.033,930 2.951,931 15.403,932 18.385,933 12.287,934 31.071,935 15.114,936 1.483,937 3.595,938 27.81,939 2.698,940 16.409,941 19.398,942 13.115,943 33.234,944 16.101,945 10102,946 18345,947 19.474,948 35.307,949 43.607,950 46.236,951 44.37,952 42.919,953 42.93,954 54.441,955 15.476,956 111.524,957 41.874,958 5.047,959 5.834,960 5.952,961 4.964,962 4.914,963 6.475,964 3.99,965 15.459,966 4.86,967 15.61,968 1.454,969 1.541,970 1.479,971 1.431,972 1.431,973 1.815,974 0.516,975 3.717,976 1.396,977 3.957,978 3.99,979 3.889,980 3.877,981 7.474,982 3.872,983 3.884,984 3.909,985 3.814,986 3.81,987 7.433,988 3.807,989 3.772,990 3.811,991 3.775,992 3.612,993 7.424,994 3.613,995 3.627,996 3.667,997 3.619,998 3.447,999 6.351,1000 3.452,1001 3.402,1002 3.43,1003 3.471,1004 3.199,1005 4.857,1006 3.214,1007 3.242,1008 3.268,1009 3.292,1010 3.08,1011 4.75,1012 3.035,1013 3.041,1014 3.076,1015 2.937,1016 2.81,1017 4.327,1018 2.833,1019 2.916,1020 2.953,1021 2.821,1022 2.735,1023 4.313,1024 2.726,1025 0.136,1026 0.128,1027 0.205,1028 0.13,1029 0.097,1030 4.09,1031 0.116,1032 3.834,1033 0.079,1034 6.15,1035 0.302,1036 3.898,1037 0.095,1038 2.914,1039 3.475,1040 2.376,1041 9.059,1042 2.86,1043 1.926,1044 1.897,1045 2.056,1046 2.029,1047 1.246,1048 2.037,1049 1.873,1050 1.848,1051 1.999,1052 1.975,1053 1.184,1054 1.983,1055 1.704,1056 1.663,1057 1.872,1058 1.904,1059 1.045,1060 1.899,1061 1.56,1062 1.518,1063 1.738,1064 1.778,1065 0.907,1066 1.769,1067 1.324,1068 1.291,1069 1.543,1070 1.562,1071 0.712,1072 1.558,1073 1.153,1074 1.12,1075 1.354,1076 1.411,1077 0.525,1078 1.415,1079 0.938,1080 0.906,1081 1.181,1082 1.241,1083 0.264,1084 1.204,1085 0.886,1086 0.821,1087 1.181,1088 1.108,1089 0.218,1090 1.107,1091 4.111,1092 5.361,1094 6.79,1096 8.295,1098 9.838,1102 9.261,1103 0.434,1104 4.026,1105 5.108,1106 5.409,1108 -2.012,1111 33.599,1112 87.692,1113 191.167,1114 234.851,1115 264.07,1116 277.58,1117 279.58,1118 96.876,1119 6.581,1120 104.73,1121 143.53,1122 12,1123 12.031,1124 4,1125 3.322,1126 64.997,1127 111,1128 130,1129 0.261,1130 215.777,1131 386.04,1132 518.256,1133 5432,1135 21.062,1136 0.726,1137 0.575,1138 21.562,1139 16.678,1140 13.99,1141 0.466,1142 0.326,1143 9.074,1144 13.145,1145 8.859,1146 7.333,1147 14.344,1148 9.777,1149 11.928,1150 0.314,1151 0.178,1152 12.178,1153 6.77,1154 8.94,1155 0.203,1156 0.099,1157 9.084,1158 4.338,1159 6.807,1160 0.133,1161 0.056,1162 6.992,1163 2.878,1164 5.545,1165 0.092,1166 0.031,1167 5.771,1168 1.836,1169 0.409,1170 91.512,1171 0.227,1172 27.76,1173 0.719,1174 136,1175 477.855,1176 161.978,1177 465.048,1178 595.54,1179 430,1180 150,1181 390.576,1182 170.165,1183 394.313,1184 564.06,1185 370,1186 7.854} {0 CHEMBL139002,1 1.779,2 11.903,3 4.257,4 18.122,5 123.476,6 8.79,7 0.375,8 4.075,9 4.175,10 3.756,11 3.672,12 5.25,13 3.622,14 4.588,15 4.731,16 4.112,17 4.046,18 5.816,19 3.961,20 4.928,21 5.125,22 4.287,23 4.189,24 6.1,25 4.077,26 4.962,27 5.17,28 4.138,29 4.122,30 6.13,31 4.026,32 4.947,33 5.146,34 4.238,35 4.094,36 6.385,37 4.021,38 4.948,39 5.146,40 4.159,41 4.096,42 6.228,43 4.024,44 4.94,45 5.137,46 4.177,47 4.117,48 6.208,49 4.04,50 4.922,51 5.118,52 4.18,53 4.166,54 6.258,55 4.054,56 0.112,57 0.726,58 10.011,59 5.266,60 20.508,61 6.207,62 0.348,63 1.156,64 19.665,65 9.032,66 61.562,67 11.144,68 0.751,69 1.485,70 39.85,71 12.545,72 107.047,73 15.199,74 0.731,75 1.504,76 38.55,77 12.366,78 123.978,79 14.699,80 0.943,81 1.473,82 38.89,83 12.421,84 186.978,85 14.685,86 0.854,87 1.478,88 38.633,89 11.834,90 135.911,91 13.634,92 0.843,93 1.461,94 37.299,95 11.904,96 135.255,97 13.849,98 0.742,99 1.456,100 36.324,101 13.292,102 136.084,103 16.016,104 58,105 42,106 0.295,107 0.614,108 0.758,109 0.877,110 0.906,111 0.906,112 3.471,113 1.041,114 -4.78,115 -4.69,116 -4.41,117 40,119 4,122 1,123 2,125 8,126 2,127 2,129 3,134 1,135 1,136 12,139 1,141 3,142 3,143 1,144 15,145 1,148 3,150 2,151 2,152 4,155 14,160 4,161 1,164 4,167 6,172 2,173 6,176 2,178 8,179 1,181 5,182 1,185 7,188 1,189 1,190 6,193 6,194 1,197 7,198 1,201 4,204 10,205 3,207 1,208 7,210 1,212 6,214 11,215 3,219 4,224 4,226 11,227 2,229 2012,230 20.353,231 20.353,232 20.353,233 20.353,234 20.353,235 18.305,236 18.15,237 12.325,238 20.706,239 15.728,240 15.728,241 15.728,242 15.728,243 15.728,244 12.667,245 14.482,246 5.791,247 16.415,248 4.003,249 2.082,250 1.219,251 0.5,252 0.327,253 0.327,254 4.135,255 2,258 1,259 747,260 4.899,262 260.776,265 1.667,266 47.484,268 1,269 0.67,270 0.83,271 1,272 1,273 0.83,274 0.5,275 0.83,276 67.667,277 369,278 4.216,279 3.832,280 6.15,281 3.899,282 2.915,283 3.87,284 2.376,285 9.06,286 2.862,287 4.088,288 3.688,289 5.951,290 3.747,291 2.83,292 3.474,293 1.969,294 8.324,295 2.627,296 3.891,297 3.525,298 5.858,299 3.648,300 2.663,301 3.185,302 1.891,303 8.033,304 2.595,305 3.763,306 3.317,307 5.293,308 3.417,309 2.422,310 2.963,311 0.351,312 6.768,313 2.399,314 3.589,315 3.282,316 5.236,317 3.263,318 2.281,319 2.838,320 0.144,321 6.489,322 2.222,323 3.438,324 2.732,325 4.946,326 3.042,327 2.066,328 2.655,330 5.736,331 1.879,332 2.929,333 2.574,334 4.112,335 2.522,336 1.524,337 2.086,339 3.584,340 1.516,341 2.82,342 2.135,343 4.042,344 2.385,345 1.414,346 1.949,348 3.523,349 1.35,350 2.659,351 2.112,352 3.708,353 2.306,354 1.414,355 1.616,356 3.008,357 1.199,358 2.5,359 1.974,360 3.549,361 2.131,362 1.164,363 1.5,364 2.665,365 1.112,366 2.387,367 1.491,368 3.247,369 2,370 1,371 1.313,372 2.136,373 1,374 1.887,375 1.144,376 3.179,377 1.663,378 0.712,379 0.788,380 1.541,381 0.653,382 1.859,383 1,384 2.911,385 1.576,386 0.605,387 0.705,388 1.18,389 0.566,390 1.318,391 0.743,392 2.702,393 0.92,394 0.093,395 0.108,396 0.206,397 0.06,398 1.137,399 0.584,400 2.379,401 0.808,402 -0.141,403 -0.167,405 -0.351,406 -0.133,407 15.395,408 0.497,409 0.791,410 0.026,411 35,412 1.129,413 16.5,414 0.532,415 18.5,416 0.597,417 31.815,418 1.026,419 34.405,420 0.626,421 28.372,422 0.915,423 6.695,424 0.216,425 8.1,426 0.261,427 0.234,429 0.292,430 0.699,431 1.161,432 0.682,433 0.915,434 0.636,435 0.896,436 0.493,437 1.288,438 0.748,439 1.059,440 0.498,441 1.089,442 0.892,443 0.992,444 0.834,445 0.904,446 0.961,447 0.996,448 1.249,449 1.039,450 0.863,451 0.89,452 1.292,453 0.963,454 0.974,455 1.095,456 0.755,457 0.94,458 0.998,459 0.913,460 1.357,461 0.983,462 0.901,463 0.875,464 1.426,465 0.931,466 1.279,467 0.912,468 0.805,469 0.845,470 1.396,471 0.907,472 0.697,473 1.051,474 0.751,475 1.045,476 0.795,477 1.032,478 7,479 0.227,480 3.333,481 1.75,482 1.964,483 0.819,484 0.673,485 0.615,486 0.349,487 0.277,488 11968,489 45351,490 1.924,491 43.6,492 2,493 12,494 4,495 2,496 2,497 2,498 1.742,499 1.771,500 3.52,501 1.632,503 1,506 97.828,507 1.779,508 3.699,509 4.563,510 5.281,511 5.454,512 5.454,513 2.885,514 4.567,515 4.925,516 3.712,517 1725.89,518 8.634,519 25816.9,523 317.975,524 1.51,525 4.863,526 0.219,527 0.007,528 0.079,529 0.041,530 0.049,531 0.019,532 0.016,533 0.015,534 0.008,535 0.007,536 0.46,537 0.17,538 0.75,539 1.539,540 162.489,541 -0.082,542 0.01,543 -0.049,544 0.011,545 -0.059,546 0.025,547 0.159,548 -0.182,549 -0.038,550 -0.137,551 0.116,552 -0.144,553 0.022,554 0.028,555 0.024,556 0.001,557 -0.069,558 -0.045,559 -0.192,560 -0.044,561 -0.056,562 -0.006,563 -0.178,564 -0.028,565 0.136,566 -0.1,567 0.055,568 -0.031,569 0.22,570 0.023,571 -0.178,572 0.034,573 -0.088,574 -0.003,575 -0.153,576 -0.024,577 -0.146,578 0.085,579 -0.03,580 0.036,581 -0.146,582 0.015,583 0.172,584 -0.069,585 0.027,586 -0.086,587 0.181,588 -0.048,589 2.813,590 5.783,591 0.387,592 32.939,593 1.015,594 1.12,595 3.551,596 12.612,597 0.697,598 3.497,599 3.761,600 3.912,601 4.043,602 4.22,603 4.094,604 4.111,605 4.19,606 4.159,607 4.111,608 7.309,609 0.656,610 483.45,611 3.497,612 5.004,613 5.802,614 6.637,615 7.456,616 8.292,617 9.119,618 9.954,619 10.785,620 11.621,621 3.6,625 2,628 8,630 4,631 12,636 2,637 55,638 15,639 2,640 32,641 56,642 22,643 12,644 4,645 8,647 2,648 2,649 2,650 1,652 6,653 15,654 7,656 3,658 3,659 3,662 24,663 6,664 3,665 9,666 3,667 2,668 1,669 4,674 2,678 2,679 1,684 1,685 2,687 1,689 2,690 1,691 31,694 1,695 5,696 1,697 2,700 2,703 2,704 7.3,706 1,707 3,709 17.5,710 9.269,711 7.083,712 3.131,713 1.692,714 1.25,715 0.912,716 10.679,717 8.448,718 3.738,719 4.22,720 4.585,721 4.963,722 5.423,723 5.23,724 5.266,725 5.502,726 5.644,727 5.572,728 0.875,729 43,730 11.564,731 4.912,732 8.122,733 21.244,734 16.862,735 2.622,736 81.278,739 246.24,740 149.103,741 36.022,742 78.297,743 118.118,744 38.564,745 110.539,746 442.656,747 36.022,749 47.059,750 75.81,751 139.256,752 13.372,754 273.986,755 78.297,756 246.24,757 146.561,758 118.118,759 116.861,760 199.156,761 165.203,763 47.059,764 99.502,765 78.297,766 38.564,767 246.24,768 154.14,769 227.4,771 246.24,772 34.729,773 75.81,774 36.022,775 234.979,776 246.24,777 154.14,778 227.4,779 0.569,780 0.319,781 0.158,782 0.091,783 15,784 9,785 0.196,786 11,788 1,789 4.131,790 252.011,792 12,793 147.58,794 1,797 25.533,798 12.966,799 8.733,801 154.14,802 14.326,804 2.523,805 78.705,806 627.78,807 41,809 36.706,810 -2.032,811 55.84,812 61.625,813 0.308,814 0.64,815 0.789,816 0.913,817 0.943,818 0.943,819 4.949,820 1.414,821 5.771,822 3.584,823 4.443,824 4.905,825 3.124,826 6.497,827 4.365,828 6.119,829 1.414,830 7.29,831 3.523,832 4.007,833 4.635,834 2.848,835 7.239,836 3.857,837 7.392,838 1.164,839 8.904,840 3.008,841 5.964,842 6.918,843 4.347,844 10.254,845 5.829,846 8.691,847 1,848 10.572,849 2.665,850 6.293,851 7.372,852 4.665,853 11.759,854 6.084,855 10.017,856 0.712,857 12.272,858 2.136,859 7.738,860 9.196,861 5.772,862 14.281,863 7.54,864 11.359,865 0.605,866 13.994,867 1.541,868 8.42,869 9.988,870 6.354,871 16.117,872 8.154,873 12.714,874 0.093,875 15.731,876 1.18,877 9.645,878 11.614,879 7.306,880 18.443,881 9.38,882 2.915,883 -0.141,884 17.479,885 0.206,886 10.503,887 12.597,888 8.019,889 20.441,890 10.18,891 2.83,892 9.06,893 19.235,894 -0.351,895 11.628,896 14.115,897 8.908,898 22.682,899 11.294,900 2.663,901 8.324,902 20.998,903 3.87,904 12.576,905 15.22,906 9.689,907 24.764,908 12.194,909 2.422,910 8.033,911 22.766,912 3.474,913 13.655,914 16.673,915 10.553,916 26.967,917 13.256,918 2.281,919 6.768,920 24.538,921 3.185,922 14.65,923 17.859,924 11.371,925 29.094,926 14.211,927 2.066,928 6.489,929 26.313,930 2.963,931 15.71,932 19.271,933 12.228,934 31.282,935 15.249,936 1.524,937 5.736,938 28.092,939 2.838,940 16.73,941 20.512,942 13.065,943 33.433,944 16.234,945 12145,946 23778,947 20.285,948 38.33,949 46.815,950 50.364,951 48.265,952 46.423,953 46.205,954 58.098,955 13.463,956 124.507,957 44.084,958 5.174,959 5.832,960 5.952,961 4.927,962 4.915,963 6.87,964 3.99,965 15.459,966 4.862,967 19.669,968 1.463,969 1.574,970 1.508,971 1.451,972 1.444,973 1.816,974 0.421,975 3.891,976 1.378,977 3.971,978 4.002,979 4.117,980 3.907,981 7.474,982 3.897,983 3.911,984 3.935,985 3.877,986 3.86,987 7.432,988 3.851,989 3.772,990 3.811,991 3.776,992 3.613,993 7.423,994 3.614,995 3.64,996 3.679,997 3.643,998 3.477,999 6.351,1000 3.478,1001 3.446,1002 3.485,1003 3.519,1004 3.313,1005 5.04,1006 3.301,1007 3.245,1008 3.273,1009 3.404,1010 3.088,1011 4.751,1012 3.038,1013 3.056,1014 3.078,1015 3.376,1016 2.886,1017 4.491,1018 2.887,1019 3.03,1020 3.076,1021 3.201,1022 2.8,1023 4.325,1024 2.827,1025 0.132,1026 0.12,1027 0.192,1028 0.122,1029 0.091,1030 4.216,1031 0.121,1032 3.832,1033 0.074,1034 6.15,1035 0.283,1036 3.899,1037 0.089,1038 2.915,1039 3.87,1040 2.376,1041 9.06,1042 2.862,1043 1.93,1044 1.902,1045 2.058,1046 2.033,1047 1.26,1048 2.041,1049 1.91,1050 1.889,1051 2.007,1052 1.98,1053 1.225,1054 1.998,1055 1.705,1056 1.664,1057 1.872,1058 1.902,1059 1.183,1060 1.898,1061 1.583,1062 1.542,1063 1.751,1064 1.778,1065 0.921,1066 1.775,1067 1.421,1068 1.377,1069 1.633,1070 1.594,1071 0.857,1072 1.613,1073 1.156,1074 1.122,1075 1.354,1076 1.414,1077 0.525,1078 1.42,1079 0.979,1080 0.938,1081 1.203,1082 1.244,1083 0.315,1084 1.219,1085 0.9,1086 0.884,1087 1.181,1088 1.203,1089 0.218,1090 1.177,1091 4.174,1092 5.451,1094 6.903,1096 8.432,1098 10.001,1100 11.914,1102 9.303,1103 1.262,1104 4.038,1105 5.222,1108 -1.984,1111 36.066,1112 97.828,1113 203.445,1114 250.955,1115 290.465,1116 299.975,1117 299.975,1118 119.275,1119 6.756,1120 95.5,1121 134.3,1122 12,1123 12.19,1124 4,1125 3.322,1126 72.563,1127 128,1128 145,1129 0.255,1130 238.039,1131 424.97,1132 572.575,1133 6848,1134 3.6,1135 22.803,1136 0.736,1137 0.616,1138 24.303,1139 19.09,1140 14.795,1141 0.462,1142 0.347,1143 9.733,1144 13.508,1145 9.423,1146 7.752,1147 15.726,1148 11.099,1149 13.057,1150 0.311,1151 0.196,1152 14.049,1153 8.232,1154 9.922,1155 0.202,1156 0.114,1157 10.981,1158 5.589,1159 7.252,1160 0.13,1161 0.063,1162 7.839,1163 3.516,1164 5.965,1165 0.089,1166 0.035,1167 6.571,1168 2.371,1169 0.403,1170 101.782,1171 0.222,1172 29.347,1173 0.696,1174 148,1175 502.526,1176 201.474,1177 555.645,1178 695.9,1179 510,1180 165,1181 415.847,1182 208.574,1183 442.144,1184 635.33,1185 415,1186 7.26} {0 CHEMBL139052,1 1.662,2 12.659,3 3.822,4 14.604,5 165.903,6 7.933,7 0.489,8 4.445,9 4.547,10 4.141,11 3.999,12 5.611,13 3.971,14 4.963,15 5.112,16 4.45,17 4.383,18 6.29,19 4.336,20 5.263,21 5.436,22 4.574,23 4.574,24 6.462,25 4.493,26 5.397,27 5.593,28 4.64,29 4.611,30 6.576,31 4.532,32 5.443,33 5.634,34 4.727,35 4.63,36 6.875,37 4.568,38 5.481,39 5.68,40 4.713,41 4.661,42 6.732,43 4.584,44 5.508,45 5.692,46 4.731,47 4.68,48 6.802,49 4.622,50 5.528,51 5.712,52 4.753,53 4.695,54 6.981,55 4.645,56 0.195,57 1.126,58 17.694,59 7.46,60 33.604,61 8.72,62 0.647,63 1.784,64 29.39,65 12.097,66 97.532,67 15.052,68 0.843,69 2.275,70 44.188,71 17.01,72 126.218,73 20.506,74 0.918,75 2.519,76 56.322,77 18.853,78 161.536,79 22.801,80 1.379,81 2.61,82 56.454,83 18.941,84 261.406,85 23.683,86 1.216,87 2.701,88 60.523,89 20.301,90 172.11,91 24.529,92 1.26,93 2.712,94 67.752,95 21.135,96 218.348,97 24.153,98 1.754,99 2.709,100 60.022,101 19.961,102 326.129,103 24.222,104 89,105 66,106 0.252,107 0.563,108 0.707,109 0.825,110 0.871,111 0.871,112 3.81,113 0.974,114 -3.25,115 -3.24,116 -3.1,117 41,119 2,121 2,122 1,123 2,125 15,126 4,127 3,129 3,134 1,135 1,136 19,138 1,139 2,141 5,142 4,143 1,144 22,148 9,150 3,151 3,152 8,155 16,160 13,161 1,164 10,167 5,172 4,173 12,176 4,178 12,179 1,181 5,182 1,184 2,185 16,188 3,189 2,190 11,193 7,194 1,197 14,198 1,200 1,201 8,204 14,205 2,207 3,208 10,210 4,211 1,212 8,213 1,214 23,215 3,218 1,219 13,222 4,223 1,224 9,226 25,227 2,229 4766,230 28.799,231 28.799,232 28.799,233 28.799,234 28.799,235 25.288,236 27.057,237 17,238 29.168,239 23.187,240 23.187,241 23.187,242 23.187,243 23.187,244 17.785,245 24.984,246 8.088,247 23.778,248 4.623,249 2.564,250 1.612,251 0.835,252 0.532,253 0.532,254 4.496,259 1167,260 5.788,262 631.393,264 235.432,265 1.826,266 75.118,268 0.5,269 0.5,270 0.5,271 0.6,272 0.5,273 0.33,275 0.42,276 97,277 557,278 4.929,279 4.709,280 7.443,281 4.409,282 3.478,283 4.857,284 2.376,285 13.119,286 3.233,287 4.453,288 3.813,289 6.638,290 4.01,291 3.035,292 4.279,293 1.984,294 10.547,295 2.953,296 4.103,297 3.662,298 6.175,299 3.88,300 2.897,301 3.624,302 1.923,303 9.124,304 2.831,305 4.021,306 3.57,307 5.964,308 3.707,309 2.716,310 3.474,311 0.8,312 8.421,313 2.681,314 3.857,315 3.175,316 5.712,317 3.491,318 2.505,319 3.18,320 0.373,321 7.394,322 2.466,323 3.754,324 2.82,325 5.368,326 3.406,327 2.41,328 3.057,329 0.213,330 6.945,331 2.394,332 3.656,333 2.731,334 5.292,335 3.268,336 2.302,337 2.945,338 0.034,339 6.732,340 2.217,341 3.512,342 2.509,343 4.884,344 3.166,345 2.17,346 2.685,348 5.655,349 2.135,350 3.382,351 2.441,352 4.799,353 3.006,354 2.029,355 2.639,356 5.184,357 1.967,358 3.118,359 2.042,360 4.669,361 2.618,362 1.618,363 2.427,364 4.535,365 1.618,366 2.931,367 1.946,368 4.272,369 2.54,370 1.561,371 2.087,372 3.868,373 1.526,374 2.898,375 1.618,376 4.126,377 2.499,378 1.514,379 2.026,380 3.662,381 1.481,382 2.699,383 1.592,384 3.839,385 2.307,386 1.334,387 1.771,388 3.145,389 1.29,390 2.592,391 1.491,392 3.748,393 2.242,394 1.248,395 1.559,396 2.873,397 1.24,398 2.5,399 1.438,400 3.535,401 2,402 1,403 1.5,405 2.507,406 1,407 20.767,408 0.472,409 1.318,410 0.03,411 57.75,412 1.313,413 30.5,414 0.693,415 27.25,416 0.619,417 42.335,418 0.962,419 48.233,420 0.618,421 60.313,422 1.371,423 11.788,424 0.268,425 9.153,426 0.208,427 0.161,428 0.04,429 0.308,430 0.702,431 1.261,432 0.827,433 1.138,434 0.697,435 0.935,436 0.559,437 1.081,438 0.858,439 0.993,440 0.497,441 0.97,442 0.909,443 1.072,444 1.081,445 1.084,446 0.954,447 1.083,448 1.117,449 1.144,450 1.139,451 1.118,452 1.129,453 1.011,454 0.874,455 1.154,456 0.988,457 1.069,458 0.882,459 0.995,460 1.088,461 1.024,462 1.115,463 1.048,464 1.14,465 0.987,466 1.411,467 1.07,468 1.352,469 1.172,470 1.459,471 0.971,472 1.201,473 0.919,474 0.988,475 0.882,476 1.269,477 0.932,478 10.5,479 0.549,480 5.556,481 3.438,482 3.138,483 1.993,484 1.526,485 1.059,486 0.876,487 0.639,488 29601,489 91089,490 1.988,491 43.6,493 25,494 5,496 4,498 1.833,499 1.827,500 3.616,501 2.11,506 129.636,507 1.662,508 3.721,509 4.674,510 5.451,511 5.753,512 5.753,513 3.044,514 4.57,515 5.431,516 3.835,517 3627.78,518 9.681,519 66731.8,523 490.261,524 1.621,525 5.365,526 0.223,527 0.007,528 0.084,529 0.049,530 0.044,531 0.025,532 0.02,533 0.013,534 0.011,535 0.008,536 0.484,537 0.17,538 0.63,539 1.167,540 252,541 -0.032,542 -0.053,543 0.126,544 0.005,545 -0.117,546 0.05,547 0.189,548 0.065,549 0.031,550 0.027,551 0.175,552 -0.003,553 -0.021,555 -0.078,556 -0.034,557 -0.081,558 -0.1,559 -0.135,560 -0.103,561 -0.026,562 -0.049,563 -0.121,564 -0.024,565 0.166,566 -0.117,567 0.061,568 -0.055,569 0.206,570 -0.028,571 -0.036,572 0.015,573 -0.009,574 -0.008,575 -0.067,576 -0.015,577 -0.201,578 -0.04,579 -0.129,580 -0.057,581 -0.157,582 0.003,583 0.026,584 0.078,585 -0.019,586 0.066,587 0.049,588 0.008,589 5.212,590 6.885,591 0.5,592 51.983,593 1.013,594 1.123,595 2.017,596 4.067,597 0.67,598 3.871,599 4.205,600 4.419,601 4.663,602 4.913,603 4.92,604 5.063,605 5.182,606 5.268,607 5.242,608 8.177,609 0.643,610 618.77,611 3.871,612 5.425,613 6.26,614 7.141,615 8.001,616 8.888,617 9.76,618 10.65,619 11.53,620 12.424,621 5.1,623 1,624 1,625 2,627 2,628 15,630 5,631 23,633 1,634 1,637 78,638 28,639 4,640 47,641 81,642 32,643 22,644 7,645 15,647 4,648 5,652 4,653 25,654 7,656 5,657 1,658 5,659 3,662 34,663 11,664 5,665 12,666 1,667 4,668 0.75,669 7,674 4,676 1,678 2,679 1,684 1,685 3,687 1,688 2,691 44,693 1,694 2,695 3,697 3,700 2,701 1,704 9,706 2,707 5,709 24.083,710 14.017,711 9.625,712 4.237,713 3.133,714 1.392,715 0.946,716 10.87,717 11.12,718 4.167,719 4.766,720 5.254,721 5.804,722 6.37,723 6.522,724 6.905,725 7.243,726 7.539,727 7.503,728 1,729 70,730 16.921,731 7.802,732 8.119,733 30.304,734 24.84,735 2.619,736 115.25,739 341.362,740 198.062,741 55.551,743 205.114,744 5.807,745 192.255,746 546.476,747 55.551,748 16.793,749 43.196,750 164.356,751 215.434,752 18.949,754 341.362,756 341.362,757 247.806,758 205.114,759 5.807,760 294.278,761 252.199,763 59.601,764 188.205,765 5.807,767 341.362,768 260.665,769 198.062,770 5.807,771 341.362,772 33.319,773 162.061,774 52.426,775 205.114,776 341.362,777 260.665,778 198.062,779 0.585,780 0.327,781 0.171,782 0.101,783 28,784 15,785 0.16,786 13,787 1,788 1.091,789 4.932,790 457.636,791 0.091,792 22,793 226.215,796 1,797 32.803,798 14.58,799 8.732,800 1.169,801 260.665,802 24.989,804 2.039,805 137.793,806 800.09,807 63.5,808 -4.295,809 65.626,810 -2.781,811 79.029,812 87.607,813 0.264,814 0.592,815 0.744,816 0.867,817 0.915,818 0.915,819 5.411,820 2.17,821 6.275,822 6.732,823 4.89,824 5.455,825 3.188,826 7.107,827 4.839,828 6.639,829 2.029,830 7.856,831 5.655,832 4.635,833 5.46,834 2.87,835 8.23,836 4.521,837 7.971,838 1.618,839 9.548,840 5.184,841 6.535,842 7.71,843 4.381,844 11.295,845 6.411,846 9.342,847 1.561,848 11.311,849 4.535,850 7.074,851 8.538,852 4.684,853 13.283,854 6.866,855 10.749,856 1.514,857 13.121,858 3.868,859 8.505,860 10.337,861 5.803,862 15.959,863 8.278,864 12.184,865 1.334,866 14.966,867 3.662,868 9.403,869 11.552,870 6.376,871 18.292,872 9.084,873 13.642,874 1.248,875 16.838,876 3.145,877 10.669,878 13.19,879 7.335,880 20.87,881 10.313,882 3.478,883 1,884 18.733,885 2.873,886 11.735,887 14.59,888 8.042,889 23.339,890 11.288,891 3.035,892 13.119,893 20.645,894 2.507,895 12.95,896 16.171,897 8.933,898 25.897,899 12.448,900 2.897,901 10.547,902 22.571,903 4.857,904 14.096,905 17.659,906 9.71,907 28.422,908 13.504,909 2.716,910 9.124,911 24.51,912 4.279,913 15.301,914 19.223,915 10.574,916 30.981,917 14.642,918 2.505,919 8.421,920 26.459,921 3.624,922 16.487,923 20.752,924 11.389,925 33.53,926 15.741,927 2.41,928 7.394,929 28.417,930 3.474,931 17.697,932 22.314,933 12.245,934 36.092,935 16.875,936 2.302,937 6.945,938 30.382,939 3.18,940 18.903,941 23.863,942 13.079,943 38.653,944 17.996,945 28859,946 50850,947 30.224,948 52.273,949 70.829,950 73.384,951 72.612,952 70.213,953 70.108,954 92.812,955 15.403,956 202.225,957 68.443,958 5.892,959 6.709,960 7.245,961 5.485,962 5.478,963 7.857,964 3.99,965 21.2,966 5.233,967 27.494,968 1.507,969 1.561,970 1.545,971 1.494,972 1.492,973 1.975,974 0.328,975 4.303,976 1.456,977 4.176,978 4.174,979 4.742,980 4.16,981 7.717,982 4.112,983 3.962,984 3.993,985 3.973,986 3.886,987 7.475,988 3.882,989 3.913,990 3.94,991 3.891,992 3.85,993 7.432,994 3.843,995 3.823,996 3.819,997 3.837,998 3.759,999 7.423,1000 3.681,1001 3.714,1002 3.747,1003 3.654,1004 3.516,1005 6.999,1006 3.536,1007 3.566,1008 3.612,1009 3.502,1010 3.375,1011 6.471,1012 3.387,1013 3.477,1014 3.524,1015 3.389,1016 3.296,1017 6.351,1018 3.289,1019 3.383,1020 3.436,1021 3.316,1022 3.213,1023 4.872,1024 3.214,1025 0.105,1026 0.1,1027 0.158,1028 0.094,1029 0.074,1030 4.929,1031 0.103,1032 4.709,1033 0.051,1034 7.443,1035 0.279,1036 4.409,1037 0.069,1038 3.478,1039 4.857,1040 2.376,1041 13.119,1042 3.233,1043 2.104,1044 2.101,1045 2.14,1046 2.155,1047 1.356,1048 2.175,1049 1.931,1050 1.903,1051 2.058,1052 2.038,1053 1.254,1054 2.044,1055 1.914,1056 1.888,1057 2.032,1058 2.002,1059 1.218,1060 2.016,1061 1.691,1062 1.692,1063 1.793,1064 1.874,1065 0.945,1066 1.873,1067 1.612,1068 1.579,1069 1.768,1070 1.822,1071 0.906,1072 1.822,1073 1.499,1074 1.451,1075 1.684,1076 1.734,1077 0.842,1078 1.731,1079 1.386,1080 1.35,1081 1.621,1082 1.631,1083 0.772,1084 1.636,1085 1.373,1086 1.3,1087 1.588,1088 1.546,1089 0.691,1090 1.569,1091 4.554,1092 5.883,1094 7.397,1096 8.998,1098 10.65,1099 3.704,1102 18.773,1103 -0.721,1105 7.447,1108 -2.571,1109 1.871,1111 50.178,1112 129.636,1113 290.242,1114 364.539,1115 425.142,1116 448.752,1117 448.752,1118 161.689,1119 7.987,1120 165.14,1121 173.52,1122 24,1123 12.953,1124 4.858,1125 4.129,1126 84.267,1127 205,1128 214,1129 0.185,1130 313.45,1131 556.2,1132 756.578,1133 32191,1135 31.855,1136 0.724,1137 0.569,1138 32.105,1139 25.044,1140 20.94,1141 0.446,1142 0.325,1143 13.713,1144 19.428,1145 13.233,1146 10.999,1147 21.762,1148 15.258,1149 19.68,1150 0.298,1151 0.184,1152 20.961,1153 12.112,1154 15.008,1155 0.183,1156 0.103,1157 16.084,1158 8.48,1159 12.099,1160 0.115,1161 0.059,1162 13.294,1163 6.23,1164 10.409,1165 0.077,1166 0.033,1167 11.565,1168 4.474,1169 0.288,1170 139.728,1171 0.182,1172 38.177,1173 0.521,1174 226,1175 734.481,1176 285.392,1177 726.907,1178 955.07,1179 666,1180 261,1181 643.566,1182 328.809,1183 689.603,1184 994.52,1185 644,1186 5.377} {0 CHEMBL139120,1 1.676,2 10.962,3 1.7,4 2.889,5 106.582,6 7.665,7 0.231,8 3.995,9 4.111,10 3.594,11 3.553,12 5.112,13 3.47,14 4.524,15 4.694,16 3.823,17 3.893,18 5.671,19 3.764,20 4.821,21 5.043,22 3.881,23 3.988,24 5.911,25 3.862,26 4.888,27 5.114,28 3.961,29 3.982,30 6.018,31 3.873,32 4.88,33 5.094,34 4.128,35 3.97,36 6.301,37 3.872,38 4.848,39 5.066,40 3.986,41 3.951,42 6.06,43 3.839,44 4.853,45 5.082,46 3.91,47 3.977,48 5.977,49 3.832,50 4.809,51 5.025,52 3.952,53 3.993,54 6.061,55 3.815,56 0.063,57 0.724,58 12.443,59 5.521,60 15.252,61 6.707,62 0.317,63 1.138,64 26.31,65 9.493,66 57.434,67 11.607,68 0.549,69 1.363,70 33.365,71 10.888,72 86.252,73 14.008,74 0.553,75 1.403,76 36.264,77 10.634,78 98.878,79 13.786,80 0.853,81 1.362,82 38.705,83 11.135,84 178.934,85 13.868,86 0.659,87 1.337,88 36.139,89 10.65,90 112.923,91 13.175,92 0.58,93 1.349,94 37.809,95 11.37,96 104.036,97 13.816,98 0.651,99 1.305,100 40.032,101 12.675,102 129.325,103 14.653,104 61,105 32,106 0.286,107 0.607,108 0.786,109 0.863,110 0.892,111 0.892,112 3.303,113 1.207,114 -3.15,115 -3.14,116 -3.02,117 34.6,119 4,121 1,122 2,123 2,125 5,126 1,129 3,134 1,135 1,136 8,139 1,141 3,142 3,143 1,144 10,145 1,148 3,150 2,151 2,152 3,155 7,160 3,161 1,164 2,167 4,172 2,173 4,176 2,178 5,179 1,181 3,182 1,185 5,188 1,189 1,190 4,193 2,197 3,198 1,201 2,204 5,205 2,207 1,208 4,210 1,212 4,214 4,215 1,219 3,224 3,226 4,227 1,229 1240,230 17.259,231 17.259,232 17.259,233 17.259,234 17.259,235 16.04,236 15.512,237 10.887,238 17.693,239 12.759,240 12.759,241 12.759,242 12.759,243 12.759,244 10.875,245 12.69,246 5.05,247 13.264,248 4.024,249 2.143,250 1.098,251 0.644,252 0.476,253 0.476,254 3.949,257 1,258 1,259 558,260 4.95,262 111.759,265 1.66,266 38.059,268 1,269 0.83,270 0.83,271 1,272 1,273 0.67,274 0.5,275 0.83,276 57,277 285,278 4.05,279 4.093,280 6.126,281 3.871,282 2.889,283 3.448,284 2.95,285 8.942,286 2.827,287 3.908,288 3.826,289 5.838,290 3.623,291 2.635,292 3.214,293 2.376,294 7.933,295 2.594,296 3.8,297 3.683,298 5.359,299 3.524,300 2.524,301 2.961,302 1.969,303 7.01,304 2.518,305 3.53,306 3.523,307 4.961,308 3.193,309 2.168,310 2.701,311 1.891,312 5.808,313 2.206,314 2.917,315 3.282,316 4.179,317 2.558,318 1.622,319 2.08,320 0.351,321 3.779,322 1.518,323 2.78,324 2.698,325 3.72,326 2.482,327 1.49,328 1.757,329 0.144,330 3.126,331 1.466,332 2.592,333 2.283,334 3.626,335 2.361,336 1.413,337 1.544,339 2.892,340 1.312,341 2.5,342 2.096,343 3.353,344 2.006,345 1.136,346 1.5,348 2.291,349 1,350 2.231,351 1.965,352 3.247,353 2,354 1,355 1.192,356 2.136,357 0.959,358 1.878,359 1.61,360 3.038,361 1.624,362 0.684,363 0.761,364 1.331,365 0.623,366 1.774,367 1.009,368 2.797,369 1.534,370 0.557,371 0.63,372 1.116,373 0.533,374 1.233,375 1,376 2.422,377 1.03,378 0.129,379 0.137,380 0.215,381 0.114,382 0.809,383 0.588,384 2.197,385 0.529,386 -0.393,387 -0.423,388 -0.711,389 -0.35,390 0.791,391 0.487,392 1.831,393 0.431,394 -0.565,395 -0.648,396 -1.252,397 -0.537,398 0.584,399 0.457,400 1.586,401 0.29,402 -0.712,403 -0.89,405 -1.474,406 -0.683,407 12.8,408 0.492,409 0.527,410 0.02,411 25.5,412 0.981,413 10.5,414 0.404,415 15,416 0.577,417 28.203,418 1.085,419 30.4,420 0.585,421 18.484,422 0.711,423 4.201,424 0.162,425 8.272,426 0.318,427 0.208,429 0.234,430 0.751,431 1.236,432 0.883,433 1.037,434 0.645,435 1.049,436 0.494,437 1.37,438 1.196,439 1.347,440 0.481,441 1.239,442 0.943,443 0.995,444 0.916,445 0.927,446 0.995,447 1.019,448 1.357,449 0.992,450 0.873,451 0.845,452 1.329,453 0.929,454 1.048,455 1.043,456 0.797,457 0.933,458 1.084,459 0.898,460 1.359,461 0.962,462 0.914,463 0.876,464 1.384,465 0.944,466 1.404,467 0.88,468 1.039,469 0.878,470 1.362,471 0.921,472 0.952,473 1.028,474 1.171,475 1.166,476 1.001,477 1.058,478 5,479 0.12,480 2.444,481 1.313,482 1.431,483 0.701,484 0.45,485 0.446,486 0.227,487 0.13,488 7112,489 23664,490 1.872,491 50,492 2,493 14,494 4,495 2,497 4,498 1.695,499 1.733,500 3.425,501 1.773,502 1,503 1,506 87.153,507 1.676,508 3.557,509 4.602,510 5.056,511 5.224,512 5.224,513 2.855,514 4.393,515 4.67,516 3.597,517 1169.19,518 8.115,519 15475.5,521 1,522 1,523 296.423,524 1.457,525 4.613,526 0.192,527 0.007,528 0.076,529 0.04,530 0.043,531 0.019,532 0.014,533 0.015,534 0.008,535 0.005,536 0.42,537 0.33,538 0.88,539 2.863,540 129.138,541 -0.083,542 -0.012,543 -0.027,544 0.023,545 -0.053,546 0.013,547 0.19,548 -0.224,549 -0.183,550 -0.245,551 0.133,552 -0.192,553 0.016,554 0.015,555 -0.08,556 -0.054,557 -0.074,558 -0.069,559 -0.18,560 -0.019,561 -0.022,563 -0.164,564 -0.011,565 0.224,566 -0.082,567 0.143,568 -0.022,569 0.243,570 0.036,571 -0.104,572 0.023,573 -0.009,574 0.004,575 -0.107,576 -0.025,577 -0.218,578 0.097,579 -0.06,580 0.065,581 -0.163,582 0.022,583 0.088,584 -0.04,585 -0.038,586 -0.062,587 0.095,588 -0.046,589 2.772,590 5.425,591 0.231,592 26,593 1.005,594 1.128,595 1.921,596 3.689,597 0.659,598 3.296,599 3.497,600 3.611,601 3.714,602 3.829,603 3.638,604 3.611,605 3.611,606 3.497,607 3.332,608 6.689,609 0.608,610 398.6,611 3.296,612 4.762,613 5.533,614 6.344,615 7.141,616 7.955,617 8.763,618 9.578,619 10.39,620 11.206,621 3.8,625 2,628 5,630 1,631 6,637 52,638 9,639 1,640 26,641 52,642 18,643 6,644 1,645 5,647 1,648 1,650 1,652 6,653 9,654 9,656 3,658 3,659 3,661 1,662 26,663 6,664 3,665 8,666 2,667 2,668 1,669 4,674 1,678 2,679 1,684 1,685 1,686 1,687 2,688 1,690 1,691 26,694 1,695 6,696 1,697 2,699 1,700 2,704 7.7,706 1,707 3,709 15,710 8.9,711 6.222,712 2.928,713 1.046,714 1.17,715 0.879,716 11.496,717 7.192,718 3.497,719 3.861,720 4.123,721 4.414,722 4.787,723 4.401,724 4.443,725 4.598,726 4.693,727 4.471,728 1,729 33,730 9.73,731 3.996,732 8.092,733 18.075,734 13.966,735 2.592,736 67.389,739 269.783,740 150.797,741 36.022,743 118.118,744 70.783,745 80.014,746 387.901,747 36.022,748 7.19,749 47.959,750 47.381,751 139.256,752 3.186,754 329.747,756 269.783,757 116.035,758 118.118,759 70.783,760 222.698,761 165.203,763 47.959,764 68.076,766 70.783,767 269.783,768 154.14,769 150.797,771 269.783,772 57.662,773 54.572,774 36.022,775 156.682,776 269.783,777 154.14,778 150.797,779 0.547,780 0.303,781 0.156,782 0.091,783 9,784 6,785 0.231,786 12,788 1,789 3.723,790 185.316,792 6,793 118.211,794 1,795 1,797 22.871,798 13.068,799 9.38,801 154.14,802 9.626,804 1.049,805 78.705,806 574.719,807 32,809 35.841,810 -1.802,811 52.269,812 58.657,813 0.294,814 0.624,815 0.807,816 0.887,817 0.916,818 0.916,819 4.677,820 1.136,821 5.468,822 2.892,823 4.174,824 4.543,825 3.693,826 6.151,827 4.125,828 5.797,829 1,830 6.956,831 2.291,832 3.611,833 4.135,834 2.848,835 6.849,836 3.598,837 7.036,838 0.684,839 8.547,840 2.136,841 5.638,842 6.402,843 5.433,844 9.863,845 5.567,846 8.302,847 0.557,848 10.198,849 1.331,850 5.889,851 6.737,852 4.665,853 11.378,854 5.844,855 9.599,856 0.129,857 11.888,858 1.116,859 7.371,860 8.533,861 7.402,862 13.88,863 7.277,864 10.915,865 -0.393,866 13.604,867 0.215,868 8.005,869 9.184,870 6.354,871 15.734,872 7.92,873 12.244,874 -0.565,875 15.337,876 -0.711,877 9.245,878 10.791,879 9.47,880 18.041,881 9.122,882 2.889,883 -0.712,884 17.083,885 -1.252,886 10.073,887 11.6,888 8.019,889 20.053,890 9.943,891 2.635,892 8.942,893 18.839,894 -1.474,895 11.199,896 13.111,897 11.583,898 22.281,899 11.039,900 2.524,901 7.933,902 20.602,903 3.448,904 12.126,905 14.016,906 9.689,907 24.371,908 11.951,909 2.168,910 7.01,911 22.37,912 3.214,913 13.201,914 15.465,915 13.718,916 26.566,917 12.999,918 1.622,919 5.808,920 24.143,921 2.961,922 14.18,923 16.438,924 11.371,925 28.697,926 13.958,927 1.49,928 3.779,929 25.919,930 2.701,931 15.232,932 17.843,933 15.865,934 30.88,935 14.986,936 1.413,937 3.126,938 27.699,939 2.08,940 16.239,941 18.868,942 13.065,943 33.033,944 15.971,945 7506,946 13784,947 16.296,948 34.262,949 36.849,950 42.54,951 38.335,952 36.444,953 36.496,954 43.852,955 19.363,956 93.159,957 35.338,958 5.008,959 6.093,960 5.987,961 4.896,962 4.889,963 6.448,964 5.9,965 15.284,966 4.827,967 16.102,968 1.417,969 1.636,970 1.474,971 1.402,972 1.404,973 1.687,974 0.745,975 3.583,976 1.359,977 3.938,978 3.974,979 3.897,980 3.869,981 7.474,982 3.861,983 3.825,984 3.866,985 3.832,986 3.672,987 7.432,988 3.667,989 3.671,990 3.714,991 3.777,992 3.547,993 7.423,994 3.515,995 3.511,996 3.556,997 3.618,998 3.393,999 6.351,1000 3.363,1001 3.324,1002 3.374,1003 3.478,1004 3.228,1005 4.751,1006 3.157,1007 3.233,1008 3.26,1009 3.306,1010 3.069,1011 4.326,1012 3.02,1013 3.044,1014 3.098,1015 2.943,1016 2.822,1017 4.187,1018 2.833,1019 3.01,1020 3.079,1021 2.85,1022 2.744,1023 3.97,1024 2.752,1025 0.156,1026 0.157,1027 0.236,1028 0.149,1029 0.111,1030 4.05,1031 0.133,1032 4.093,1033 0.113,1034 6.126,1035 0.344,1036 3.871,1037 0.109,1038 2.889,1039 3.448,1040 2.95,1041 8.942,1042 2.827,1043 1.924,1044 1.894,1045 2.06,1046 2.017,1047 1.258,1048 2.032,1049 1.75,1050 1.707,1051 1.91,1052 1.95,1053 1.22,1054 1.943,1055 1.635,1056 1.59,1057 1.828,1058 1.82,1059 1.176,1060 1.832,1061 1.496,1062 1.449,1063 1.721,1064 1.667,1065 0.903,1066 1.697,1067 1.288,1068 1.24,1069 1.529,1070 1.479,1071 0.715,1072 1.535,1073 1.144,1074 1.108,1075 1.388,1076 1.406,1077 0.541,1078 1.423,1079 0.997,1080 0.923,1081 1.278,1082 1.29,1083 0.441,1084 1.301,1085 0.912,1086 0.878,1087 1.181,1088 1.236,1089 0.277,1090 1.193,1091 3.97,1092 5.198,1094 6.603,1096 8.087,1098 9.615,1099 1.91,1102 9.163,1103 2.545,1104 4.015,1105 5.226,1107 1.56,1108 -1.745,1111 31.598,1112 87.153,1113 184.962,1114 239.303,1115 262.913,1116 271.668,1117 271.668,1118 119.456,1119 6.146,1120 95.5,1121 159.6,1122 6,1123 11.791,1124 3.322,1125 2.807,1126 76.16,1127 99,1128 106,1129 0.354,1130 210.31,1131 375.04,1132 504.917,1133 3070,1135 19.364,1136 0.745,1137 0.635,1138 20.217,1139 16.522,1140 12.473,1141 0.48,1142 0.402,1143 8.523,1144 11.218,1145 8.116,1146 6.73,1147 13.43,1148 10.464,1149 10.33,1150 0.323,1151 0.226,1152 11.007,1153 7.232,1154 7.508,1155 0.209,1156 0.13,1157 7.931,1158 4.68,1159 5.496,1160 0.137,1161 0.077,1162 5.914,1163 3.062,1164 4.391,1165 0.098,1166 0.045,1167 4.89,1168 2.039,1169 0.559,1170 87.534,1171 0.248,1172 25.489,1173 0.961,1174 116,1175 396.98,1176 154.037,1177 410.213,1178 512.25,1179 378,1180 126,1181 310.15,1182 152.366,1183 322.469,1184 457.02,1185 300,1186 7.745} {0 CHEMBL139234,1 1.657,2 11.378,3 3.224,4 10.395,5 138.791,6 7.596,7 0.316,8 4.316,9 4.427,10 3.857,11 3.807,12 5.506,13 3.781,14 4.836,15 4.994,16 4.219,17 4.171,18 6.092,19 4.121,20 5.172,21 5.36,22 4.284,23 4.333,24 6.346,25 4.257,26 5.288,27 5.525,28 4.348,29 4.317,30 6.478,31 4.248,32 5.213,33 5.407,34 4.415,35 4.284,36 6.689,37 4.256,38 5.229,39 5.427,40 4.436,41 4.386,42 6.46,43 4.342,44 5.362,45 5.557,46 4.506,47 4.489,48 6.622,49 4.439,50 5.417,51 5.615,52 4.583,53 4.544,54 6.824,55 4.48,56 0.156,57 0.963,58 15.297,59 6.737,60 27.015,61 8.305,62 0.591,63 1.491,64 28.093,65 10.897,66 85.232,67 14.275,68 0.989,69 1.895,70 41.917,71 13.758,72 126.641,73 18.081,74 0.982,75 1.984,76 51.726,77 14.782,78 172.812,79 20.162,80 1.514,81 1.889,82 45.863,83 12.543,84 266.844,85 16.865,86 0.93,87 2.019,88 44.565,89 13.929,90 143.116,91 18.724,92 1.057,93 2.207,94 52.949,95 16.66,96 172.762,97 21.282,98 1.662,99 2.299,100 55.744,101 17.512,102 280.247,103 22.779,104 122,105 52,106 0.261,107 0.586,108 0.719,109 0.791,110 0.829,111 0.842,112 3.642,113 0.968,114 -2.69,115 -2.7,116 -2.63,117 37.1,118 3,119 2,122 1,123 3,124 1,125 9,126 2,127 1,129 3,130 1,134 1,135 1,136 12,138 1,139 3,141 5,142 4,143 1,144 17,148 2,150 3,151 3,152 6,155 9,160 8,161 1,164 10,167 1,172 4,173 7,176 4,178 10,179 1,181 1,182 1,185 12,188 2,189 2,190 8,193 5,194 1,197 14,198 1,200 1,201 8,204 8,205 2,207 3,208 7,210 4,211 1,212 6,213 1,214 14,215 3,219 9,222 3,223 1,224 6,226 18,227 2,229 2958,230 23.61,231 23.61,232 23.61,233 23.61,234 23.61,235 21.485,236 24.162,237 13.959,238 23.925,239 18.688,240 18.688,241 18.688,242 18.688,243 18.688,244 15.472,245 22.88,246 6.6,247 19.207,248 4.473,249 2.416,250 1.573,251 1.115,252 0.875,253 0.79,254 4.303,258 1,259 844,260 5.958,262 321.072,265 1.611,266 63.767,268 0.75,269 0.5,270 0.67,271 0.9,272 1,273 0.5,275 0.62,276 82.5,277 421,278 4.18,279 3.876,280 6.448,281 4.074,282 3.136,283 3.626,284 2.376,285 10.161,286 2.936,287 4.115,288 3.814,289 6.207,290 3.937,291 2.953,292 3.476,293 2.189,294 9.254,295 2.893,296 4.037,297 3.713,298 6.025,299 3.783,300 2.798,301 3.254,302 1.982,303 8.642,304 2.752,305 3.891,306 3.599,307 5.824,308 3.622,309 2.637,310 3.184,311 1.922,312 7.908,313 2.585,314 3.873,315 3.237,316 5.372,317 3.508,318 2.524,319 3.063,320 0.427,321 6.993,322 2.482,323 3.676,324 3.167,325 5.282,326 3.35,327 2.351,328 2.86,329 0.333,330 6.678,331 2.34,332 3.423,333 2.817,334 4.889,335 3.053,336 2.079,337 2.659,338 0.174,339 5.682,340 1.998,341 3.379,342 2.731,343 4.883,344 3.001,345 2.017,346 2.535,347 0.026,348 5.577,349 1.965,350 2.932,351 2.453,352 4.258,353 2.53,354 1.533,355 2.087,356 3.858,357 1.522,358 2.633,359 2.044,360 3.868,361 2.329,362 1.354,363 1.597,364 3.124,365 1.306,366 2.5,367 1.907,368 3.627,369 2.15,370 1.179,371 1.5,372 2.756,373 1.119,374 2.5,375 1.841,376 3.452,377 2,378 1,379 1.5,380 2.275,381 1,382 2.463,383 1.491,384 3.414,385 2,386 1,387 1.369,388 2.136,389 1,390 2.24,391 1,392 3.247,393 1.89,394 0.888,395 1.07,396 2.126,397 0.873,398 1.354,399 1,400 3.078,401 1.091,402 0.192,403 0.209,405 0.349,406 0.16,407 17.367,408 0.469,409 1.213,410 0.033,411 41,412 1.108,413 18.5,414 0.5,415 22.5,416 0.608,417 41.301,418 1.116,419 42.633,420 0.609,421 39.832,422 1.077,423 8.037,424 0.217,425 9.336,426 0.252,427 0.25,428 0.029,429 0.288,430 0.816,431 1.288,432 0.884,433 1.122,434 0.715,435 1.024,436 0.502,437 1.252,438 0.843,439 1.153,440 0.472,441 1.084,442 1.111,443 1.092,444 1.064,445 1.05,446 0.984,447 1.146,448 1.11,449 1.044,450 0.846,451 0.909,452 1.145,453 0.869,454 1.165,455 0.99,456 0.926,457 0.827,458 1.2,459 0.874,460 1.075,461 1.057,462 0.884,463 0.931,464 1.099,465 0.937,466 1.292,467 1.066,468 1.024,469 0.992,470 1.306,471 0.968,472 1.061,473 0.865,474 0.9,475 0.829,476 1.066,477 0.91,478 10.5,479 0.491,480 3.778,481 2.563,482 2.173,483 1.236,484 1.182,485 1.049,486 0.745,487 0.577,488 17538,489 57712,490 1.885,491 47.1,493 14,494 6,496 13,498 1.792,499 1.714,500 3.46,501 3.06,506 115.967,507 1.657,508 3.713,509 4.557,510 5.014,511 5.254,512 5.34,513 2.823,514 4.703,515 5.181,516 3.674,517 2446.71,518 9.182,519 41099.8,523 429.05,524 1.684,525 5.096,526 0.276,527 0.009,528 0.073,529 0.05,530 0.041,531 0.021,532 0.019,533 0.016,534 0.011,535 0.009,536 0.526,537 0.17,538 0.5,539 1.627,540 202.33,541 -0.103,542 -0.037,543 -0.05,544 -0.007,545 -0.098,546 0.018,547 0.25,548 -0.103,549 0.024,550 -0.109,551 0.159,552 -0.063,553 -0.089,554 -0.037,555 -0.171,556 -0.105,557 -0.125,558 -0.186,559 -0.097,560 -0.081,561 0.114,562 0.007,563 -0.072,564 0.09,565 0.085,566 0.043,567 0.017,568 0.055,569 0.136,570 0.031,571 -0.07,572 0.001,573 0.011,574 -0.007,575 -0.073,576 0.016,577 -0.176,578 -0.049,579 -0.064,580 -0.029,581 -0.141,582 -0.009,583 0.067,584 0.136,585 0.031,586 0.104,587 0.104,588 0.043,589 2.926,590 6.368,591 0.324,592 40.596,593 1.013,594 1.13,595 1.456,596 2.12,597 0.647,598 3.664,599 3.97,600 4.06,601 4.234,602 4.382,603 4.357,604 4.466,605 4.585,606 4.585,607 4.554,608 7.506,609 0.617,610 531.69,611 3.664,612 5.198,613 5.989,614 6.847,615 7.657,616 8.514,617 9.334,618 10.191,619 11.017,620 11.874,621 4.3,625 3,628 9,630 3,631 12,634 1,637 70,638 16,639 2,640 38,641 71,642 26,643 12,644 3,645 9,647 2,648 2,650 4,652 5,653 16,654 10,655 1,656 4,658 4,659 4,662 33,663 10,664 5,665 11,666 1,667 3,668 1,669 7,674 2,678 2,679 1,683 1,684 1,685 2,687 1,688 3,690 1,691 37,694 2,695 3,696 1,697 3,698 1,700 3,702 1,704 10,706 2,707 4,708 1,709 21.583,710 12.683,711 8.208,712 3.804,713 1.524,714 1.218,715 0.875,716 11.752,717 8.531,718 3.892,719 4.369,720 4.663,721 5.05,722 5.471,723 5.301,724 5.478,725 5.797,726 5.946,727 5.946,728 1,729 51,730 13.903,731 5.992,732 8.193,733 25.167,734 19.846,735 2.693,736 99.639,739 328.638,740 179.747,741 54.032,743 196.946,744 38.564,745 141.183,746 525.584,747 54.032,748 26.476,749 60.001,750 85.286,751 207.084,752 17.371,753 6.763,754 356.383,756 328.638,757 195.216,758 196.946,759 38.564,760 175.614,761 349.971,763 86.477,764 108.739,766 38.564,767 328.638,768 250.979,769 179.747,771 328.638,772 29.422,773 111.762,774 54.032,775 235.51,776 328.638,777 250.979,778 179.747,779 0.581,780 0.304,781 0.153,782 0.082,783 19,784 12,785 0.183,786 13,788 1,789 4.421,790 332.881,792 12,793 179.995,794 1,797 30.483,798 14.264,799 11.039,801 250.979,802 15.001,804 1.414,805 139.399,806 759.364,807 48,809 50.281,810 -3.464,811 70.927,812 79.109,813 0.27,814 0.606,815 0.743,816 0.818,817 0.857,818 0.871,819 5.136,820 2.017,821 6.009,822 5.682,823 4.654,824 5.056,825 3.46,826 6.777,827 4.6,828 6.329,829 1.533,830 7.555,831 5.577,832 4.443,833 4.879,834 3.1,835 7.776,836 4.361,837 7.62,838 1.354,839 9.201,840 3.858,841 6.263,842 7.037,843 4.714,844 10.684,845 6.146,846 8.932,847 1.179,848 10.901,849 3.124,850 6.77,851 7.503,852 4.964,853 12.413,854 6.613,855 10.266,856 1,857 12.635,858 2.756,859 8.144,860 9.252,861 6.144,862 14.902,863 7.955,864 11.615,865 1,866 14.391,867 2.275,868 8.96,869 9.997,870 6.666,871 16.931,872 8.722,873 12.974,874 0.888,875 16.163,876 2.136,877 10.164,878 11.577,879 7.664,880 19.28,881 9.891,882 3.136,883 0.192,884 17.946,885 2.126,886 11.127,887 12.472,888 8.328,889 21.444,890 10.8,891 2.953,892 10.161,893 19.738,894 0.349,895 12.264,896 13.962,897 9.241,898 23.745,899 11.897,900 2.798,901 9.254,902 21.537,903 3.626,904 13.298,905 14.954,906 9.983,907 25.974,908 12.875,909 2.637,910 8.642,911 23.342,912 3.476,913 14.411,914 16.384,915 10.856,916 28.261,917 13.943,918 2.524,919 7.908,920 25.152,921 3.254,922 15.482,923 17.446,924 11.642,925 30.521,926 14.956,927 2.351,928 6.993,929 26.967,930 3.184,931 16.59,932 18.834,933 12.497,934 32.808,935 16.013,936 2.079,937 6.678,938 28.786,939 3.063,940 17.681,941 19.949,942 13.31,943 35.086,944 17.045,945 17945,946 32712,947 23.463,948 45.267,949 56.657,950 60.659,951 57.764,952 55.51,953 55.561,954 68.291,955 18.859,956 155.621,957 54.119,958 5.151,959 5.876,960 6.25,961 5.145,962 5.136,963 6.626,964 4.079,965 16.72,966 4.936,967 26.173,968 1.491,969 1.596,970 1.52,971 1.461,972 1.462,973 1.797,974 0.496,975 4.095,976 1.424,977 3.981,978 4.014,979 3.917,980 3.894,981 7.475,982 3.891,983 3.91,984 3.939,985 3.844,986 3.847,987 7.438,988 3.842,989 3.769,990 3.804,991 3.787,992 3.594,993 7.429,994 3.605,995 3.731,996 3.77,997 3.674,998 3.555,999 7.423,1000 3.557,1001 3.64,1002 3.681,1003 3.583,1004 3.466,1005 6.471,1006 3.47,1007 3.475,1008 3.516,1009 3.444,1010 3.313,1011 6.351,1012 3.311,1013 3.197,1014 3.208,1015 3.297,1016 2.893,1017 4.754,1018 2.945,1019 3.07,1020 3.094,1021 3.134,1022 2.884,1023 4.628,1024 2.863,1025 0.11,1026 0.102,1027 0.17,1028 0.107,1029 0.083,1030 4.18,1031 0.095,1032 3.876,1033 0.063,1034 6.448,1035 0.267,1036 4.074,1037 0.077,1038 3.136,1039 3.626,1040 2.376,1041 10.161,1042 2.936,1043 1.931,1044 1.902,1045 2.058,1046 2.042,1047 1.256,1048 2.045,1049 1.913,1050 1.887,1051 2.034,1052 2.004,1053 1.218,1054 2.016,1055 1.702,1056 1.656,1057 1.946,1058 1.909,1059 1.118,1060 1.915,1061 1.668,1062 1.628,1063 1.807,1064 1.877,1065 1.039,1066 1.864,1067 1.568,1068 1.529,1069 1.721,1070 1.785,1071 0.911,1072 1.772,1073 1.425,1074 1.382,1075 1.625,1076 1.633,1077 0.848,1078 1.63,1079 1.027,1080 1.005,1081 1.417,1082 1.364,1083 0.469,1084 1.308,1085 0.984,1086 0.938,1087 1.417,1088 1.258,1089 0.469,1090 1.308,1091 4.344,1092 5.652,1094 7.119,1096 8.653,1098 10.221,1099 5.048,1102 18.873,1103 -0.022,1104 3.972,1105 7.575,1106 5.294,1108 -3.524,1110 -0.807,1111 43.157,1112 115.967,1113 259.913,1114 318.972,1115 351.011,1116 367.766,1117 373.766,1118 180.03,1119 7.007,1120 154.06,1121 192.86,1122 12,1123 12.433,1124 4.087,1125 3.459,1126 96.361,1127 162,1128 169,1129 0.277,1130 275.598,1131 498.48,1132 664.219,1133 8691,1135 27.587,1136 0.746,1137 0.59,1138 28.087,1139 21.827,1140 17.373,1141 0.457,1142 0.323,1143 11.522,1144 16.353,1145 11.097,1146 9.253,1147 17.727,1148 12.267,1149 16.565,1150 0.319,1151 0.188,1152 16.77,1153 9.767,1154 11.224,1155 0.197,1156 0.096,1157 11.486,1158 5.462,1159 8.861,1160 0.13,1161 0.052,1162 9.18,1163 3.563,1164 6.637,1165 0.084,1166 0.028,1167 6.768,1168 2.225,1169 0.429,1170 113.226,1171 0.206,1172 33.401,1173 0.778,1174 180,1175 624.073,1176 214.011,1177 603.909,1178 771.83,1179 554,1180 199,1181 517.032,1182 226.517,1183 521.74,1184 745.46,1185 486,1186 6.469} {0 CHEMBL139339,1 1.582,2 10.962,3 2.808,4 7.887,5 102.973,6 7.047,7 0.231,8 4.027,9 4.152,10 3.503,11 3.537,12 5.123,13 3.475,14 4.569,15 4.755,16 3.778,17 3.888,18 5.691,19 3.78,20 4.902,21 5.149,22 3.845,23 4.007,24 5.943,25 3.882,26 4.926,27 5.164,28 3.891,29 3.983,30 6.03,31 3.882,32 4.921,33 5.146,34 4.033,35 3.968,36 6.312,37 3.883,38 4.909,39 5.137,40 3.886,41 3.952,42 6.107,43 3.858,44 4.911,45 5.149,46 3.808,47 3.967,48 6.025,49 3.851,50 4.89,51 5.129,52 3.79,53 3.998,54 6.081,55 3.84,56 0.048,57 0.735,58 12.944,59 5.437,60 14.315,61 7.117,62 0.28,63 1.141,64 23.406,65 8.807,66 57.992,67 12.058,68 0.539,69 1.392,70 34.275,71 10.859,72 88.863,73 15.235,74 0.497,75 1.383,76 35.566,77 10.193,78 95.875,79 14.404,80 0.805,81 1.35,82 37.079,83 10.398,84 179.514,85 14.291,86 0.652,87 1.338,88 35.504,89 9.891,90 120.534,91 13.718,92 0.56,93 1.33,94 35.32,95 10.337,96 109.086,97 14.299,98 0.572,99 1.317,100 35.526,101 11.854,102 132.893,103 15.647,104 61,105 32,106 0.268,107 0.577,108 0.77,109 0.875,110 0.89,111 0.89,112 3.303,113 1.105,114 -3.38,115 -3.37,116 -3.22,117 35.2,118 1,119 6,122 1,123 2,125 5,126 1,129 3,134 1,135 1,136 11,139 1,141 3,142 3,143 1,144 11,145 1,148 3,150 2,151 2,152 4,155 8,160 4,161 1,164 3,167 4,172 2,173 5,176 2,178 6,179 1,181 4,182 1,185 6,188 1,189 1,190 5,193 4,194 1,197 5,198 1,201 3,204 7,205 2,207 1,208 4,210 1,212 4,214 8,215 2,219 4,224 4,226 7,227 1,229 1240,230 17.259,231 17.259,232 17.259,233 17.259,234 17.259,235 16.04,236 13.766,237 10.887,238 17.378,239 12.759,240 12.759,241 12.759,242 12.759,243 12.759,244 10.875,245 11.451,246 5.05,247 12.931,248 4.173,249 2.346,250 1.206,251 0.584,252 0.495,253 0.495,254 3.949,256 1,257 1,258 1,259 558,260 4.95,262 111.759,265 1.66,266 38.148,268 1,269 0.83,270 0.83,271 1,272 1,273 0.83,274 0.5,275 0.86,276 57,277 285,278 4.05,279 3.829,280 6.126,281 3.872,282 2.889,283 3.448,284 2.376,285 8.942,286 2.83,287 3.908,288 3.685,289 5.838,290 3.624,291 2.635,292 3.214,293 1.969,294 7.933,295 2.595,296 3.8,297 3.524,298 5.359,299 3.524,300 2.524,301 2.961,302 1.891,303 7.01,304 2.52,305 3.53,306 3.282,307 4.961,308 3.193,309 2.168,310 2.701,311 0.351,312 5.808,313 2.207,314 2.917,315 2.698,316 4.179,317 2.626,318 1.622,319 2.08,320 0.144,321 3.779,322 1.619,323 2.78,324 2.204,325 3.72,326 2.49,327 1.49,328 1.757,330 3.126,331 1.49,332 2.592,333 2.042,334 3.626,335 2.382,336 1.413,337 1.544,339 2.892,340 1.345,341 2.5,342 1.61,343 3.353,344 2.108,345 1.136,346 1.5,348 2.291,349 1.093,350 2.231,351 1.418,352 3.247,353 2,354 1,355 1.192,356 2.136,357 1,358 1.878,359 1.007,360 3.038,361 1.625,362 0.684,363 0.761,364 1.331,365 0.624,366 1.774,367 1,368 2.797,369 1.56,370 0.557,371 0.63,372 1.116,373 0.554,374 1.233,375 0.588,376 2.422,377 1.128,378 0.129,379 0.137,380 0.215,381 0.128,382 0.809,383 0.476,384 2.197,385 0.529,386 -0.393,387 -0.423,388 -0.711,389 -0.35,390 0.791,391 0.451,392 1.831,393 0.437,394 -0.565,395 -0.648,396 -1.252,397 -0.56,398 0.584,399 0.129,400 1.586,401 0.333,402 -0.712,403 -0.89,405 -1.474,406 -0.733,407 12.467,408 0.479,409 0.527,410 0.02,411 25.5,412 0.981,413 10.5,414 0.404,415 15,416 0.577,417 27.408,418 1.054,419 30.733,420 0.569,421 19.279,422 0.742,423 4.552,424 0.175,425 7.921,426 0.305,427 0.214,429 0.241,430 0.744,431 1.327,432 0.952,433 1.17,434 0.642,435 1.118,436 0.453,437 1.368,438 0.958,439 1.25,440 0.469,441 1.236,442 0.879,443 0.964,444 0.894,445 0.918,446 0.929,447 0.97,448 1.343,449 1.006,450 0.937,451 0.887,452 1.306,453 0.935,454 1.086,455 1.048,456 0.852,457 0.947,458 1.079,459 0.914,460 1.467,461 0.965,462 1.001,463 0.883,464 1.471,465 0.96,466 1.451,467 0.892,468 0.996,469 0.848,470 1.433,471 0.94,472 0.909,473 0.998,474 1.016,475 1.041,476 0.946,477 1.044,478 5,479 0.12,480 2.444,481 1.313,482 1.431,483 0.701,484 0.45,485 0.446,486 0.227,487 0.13,488 7112,489 21392,490 1.872,491 51.9,492 9,493 9,494 4,495 2,496 2,497 2,498 1.695,499 1.733,500 3.425,501 1.735,502 1,503 1,506 85.447,507 1.582,508 3.409,509 4.549,510 5.171,511 5.259,512 5.259,513 2.855,514 4.393,515 4.67,516 3.597,517 1169.19,518 8.115,519 15475.5,521 1,522 1,523 310.764,524 1.457,525 4.613,526 0.192,527 0.007,528 0.076,529 0.04,530 0.043,531 0.019,532 0.014,533 0.015,534 0.008,535 0.005,536 0.42,537 0.33,538 0.88,539 2.863,540 129.138,541 -0.075,542 -0.039,543 -0.059,544 -0.019,545 -0.048,546 -0.001,547 0.214,548 -0.216,549 -0.075,550 -0.199,551 0.137,552 -0.177,553 0.05,554 0.041,555 -0.008,556 -0.009,557 -0.046,558 -0.006,559 -0.165,560 -0.017,561 -0.022,562 -0.002,563 -0.147,564 -0.002,565 0.2,566 -0.067,567 0.123,568 -0.025,569 0.238,570 0.023,571 -0.141,572 0.031,573 -0.068,574 -0.007,575 -0.129,576 -0.043,577 -0.217,578 0.072,579 -0.075,580 0.044,581 -0.171,582 -0.005,583 0.078,584 -0.041,585 -0.033,586 -0.037,587 0.098,588 -0.047,589 2.767,590 5.434,591 0.231,592 26,593 1.001,594 1.132,595 2.153,596 4.635,597 0.637,598 3.296,599 3.497,600 3.611,601 3.714,602 3.829,603 3.638,604 3.611,605 3.611,606 3.497,607 3.332,608 6.689,609 0.591,610 380.56,611 3.296,612 4.762,613 5.533,614 6.344,615 7.141,616 7.955,617 8.763,618 9.578,619 10.39,620 11.206,621 3.7,625 2,628 5,630 1,631 6,637 54,638 9,639 1,640 26,641 54,642 19,643 6,644 1,645 5,647 1,648 1,650 2,652 8,653 9,654 10,656 3,658 3,659 3,660 1,661 1,662 28,663 6,664 3,665 7,666 1,667 2,668 1,669 4,674 1,678 2,679 1,684 1,685 1,687 1,688 1,690 1,691 26,694 1,695 7,696 1,697 2,700 2,704 7.4,706 1,707 3,709 15,710 9.233,711 6.222,712 3.428,713 1.046,714 1.17,715 0.876,716 11.064,717 7.192,718 3.497,719 3.861,720 4.123,721 4.414,722 4.787,723 4.401,724 4.443,725 4.598,726 4.693,727 4.471,728 1,729 33,730 9.739,731 4.003,732 8.079,733 18.153,734 14.085,735 2.579,736 67.056,738 1,739 293.325,740 124.382,741 36.022,743 118.118,744 38.564,745 85.818,746 411.443,747 36.022,748 8.825,749 52.128,750 47.381,751 139.256,752 3.186,754 321.07,756 293.325,757 121.84,758 118.118,759 38.564,760 246.24,761 165.203,763 60.954,764 60.886,766 38.564,767 293.325,768 154.14,769 124.382,771 293.325,772 29.612,773 56.206,774 36.022,775 156.682,776 293.325,777 154.14,778 124.382,779 0.547,780 0.303,781 0.156,782 0.091,783 9,784 6,785 0.222,786 12,788 1,789 3.723,790 185.316,792 6,793 115.457,794 1,797 22.521,798 12.772,799 9.131,801 154.14,802 9.641,804 1.053,805 78.705,806 571.846,807 32,809 35.862,810 -1.774,811 54.076,812 61.152,813 0.275,814 0.592,815 0.79,816 0.899,817 0.914,818 0.914,819 4.677,820 1.136,821 5.468,822 2.892,823 4.174,824 4.543,825 3.124,826 6.151,827 4.151,828 5.797,829 1,830 6.956,831 2.291,832 3.611,833 4.135,834 2.848,835 6.849,836 3.598,837 7.036,838 0.684,839 8.547,840 2.136,841 5.638,842 6.402,843 4.347,844 9.863,845 5.591,846 8.302,847 0.557,848 10.198,849 1.331,850 5.889,851 6.737,852 4.665,853 11.378,854 5.844,855 9.599,856 0.129,857 11.888,858 1.116,859 7.371,860 8.533,861 5.772,862 13.88,863 7.294,864 10.915,865 -0.393,866 13.604,867 0.215,868 8.005,869 9.184,870 6.354,871 15.734,872 7.921,873 12.244,874 -0.565,875 15.337,876 -0.711,877 9.245,878 10.791,879 7.306,880 18.041,881 9.134,882 2.889,883 -0.712,884 17.083,885 -1.252,886 10.073,887 11.6,888 8.019,889 20.053,890 9.946,891 2.635,892 8.942,893 18.839,894 -1.474,895 11.199,896 13.111,897 8.908,898 22.281,899 11.049,900 2.524,901 7.933,902 20.602,903 3.448,904 12.126,905 14.016,906 9.689,907 24.371,908 11.957,909 2.168,910 7.01,911 22.37,912 3.214,913 13.201,914 15.465,915 10.553,916 26.566,917 13.009,918 1.622,919 5.808,920 24.143,921 2.961,922 14.18,923 16.438,924 11.371,925 28.697,926 13.966,927 1.49,928 3.779,929 25.919,930 2.701,931 15.232,932 17.843,933 12.228,934 30.88,935 14.996,936 1.413,937 3.126,938 27.699,939 2.08,940 16.239,941 18.868,942 13.065,943 33.033,944 15.981,945 7506,946 13136,947 16.296,948 34.375,949 36.849,950 39.627,951 38.335,952 36.54,953 36.496,954 43.852,955 13.463,956 93.159,957 36.008,958 5.008,959 5.829,960 5.987,961 4.897,962 4.889,963 6.448,964 3.99,965 15.284,966 4.83,967 16.102,968 1.417,969 1.524,970 1.474,971 1.405,972 1.404,973 1.687,974 0.518,975 3.583,976 1.385,977 3.941,978 3.977,979 3.865,980 3.87,981 7.474,982 3.862,983 3.837,984 3.881,985 3.797,986 3.678,987 7.432,988 3.682,989 3.691,990 3.74,991 3.682,992 3.553,993 7.423,994 3.533,995 3.575,996 3.631,997 3.48,998 3.405,999 6.351,1000 3.405,1001 3.408,1002 3.463,1003 3.431,1004 3.248,1005 4.751,1006 3.233,1007 3.242,1008 3.272,1009 3.256,1010 3.075,1011 4.328,1012 3.03,1013 3.049,1014 3.106,1015 2.937,1016 2.824,1017 4.22,1018 2.835,1019 3.022,1020 3.079,1021 2.827,1022 2.747,1023 4.035,1024 2.767,1025 0.156,1026 0.147,1027 0.236,1028 0.149,1029 0.111,1030 4.05,1031 0.133,1032 3.829,1033 0.091,1034 6.126,1035 0.344,1036 3.872,1037 0.109,1038 2.889,1039 3.448,1040 2.376,1041 8.942,1042 2.83,1043 1.924,1044 1.894,1045 2.061,1046 2.021,1047 1.326,1048 2.033,1049 1.782,1050 1.731,1051 2.003,1052 1.968,1053 1.236,1054 1.975,1055 1.666,1056 1.617,1057 1.865,1058 1.856,1059 1.191,1060 1.871,1061 1.547,1062 1.494,1063 1.769,1064 1.755,1065 0.944,1066 1.763,1067 1.391,1068 1.332,1069 1.663,1070 1.593,1071 0.878,1072 1.619,1073 1.155,1074 1.118,1075 1.389,1076 1.416,1077 0.545,1078 1.429,1079 1,1080 0.929,1081 1.287,1082 1.295,1083 0.442,1084 1.301,1085 0.912,1086 0.88,1087 1.181,1088 1.236,1089 0.281,1090 1.193,1091 3.97,1092 5.198,1094 6.603,1096 8.087,1098 9.615,1099 1.993,1102 9.167,1103 3.564,1104 4.019,1105 5.249,1108 -1.717,1111 31.938,1112 85.447,1113 184.079,1114 245.645,1115 279.254,1116 284.009,1117 284.009,1118 120.585,1119 6.146,1120 95.5,1121 134.3,1122 6,1123 11.791,1124 3.322,1125 2.807,1126 76.16,1127 99,1128 106,1129 0.354,1130 208.772,1131 373.83,1132 501.163,1133 3070,1135 19.364,1136 0.745,1137 0.616,1138 19.864,1139 16.005,1140 12.473,1141 0.48,1142 0.368,1143 8.911,1144 11.755,1145 8.658,1146 7.234,1147 12.826,1148 9.581,1149 10.33,1150 0.323,1151 0.206,1152 10.58,1153 6.607,1154 7.508,1155 0.209,1156 0.119,1157 7.652,1158 4.272,1159 5.496,1160 0.137,1161 0.069,1162 5.681,1163 2.763,1164 4.391,1165 0.098,1166 0.04,1167 4.616,1168 1.785,1169 0.559,1170 81.498,1171 0.248,1172 25.489,1173 0.961,1174 116,1175 382.12,1176 138.435,1177 376.6,1178 474.65,1179 346,1180 126,1181 303.121,1182 142.344,1183 306.454,1184 436.58,1185 288,1186 7.638} {0 CHEMBL139380,1 1.595,2 11.378,3 2.253,4 5.076,5 132.664,6 7.366,7 0.316,8 4.322,9 4.434,10 3.826,11 3.769,12 5.534,13 3.767,14 4.841,15 5,16 4.196,17 4.138,18 6.113,19 4.109,20 5.176,21 5.365,22 4.242,23 4.302,24 6.371,25 4.244,26 5.294,27 5.53,28 4.281,29 4.28,30 6.542,31 4.23,32 5.217,33 5.412,34 4.375,35 4.253,36 6.721,37 4.243,38 5.233,39 5.431,40 4.4,41 4.355,42 6.482,43 4.33,44 5.368,45 5.563,46 4.472,47 4.446,48 6.645,49 4.423,50 5.422,51 5.62,52 4.522,53 4.499,54 6.86,55 4.46,56 0.204,57 0.948,58 14.769,59 6.373,60 32.308,61 8.131,62 0.662,63 1.454,64 26.943,65 10.196,66 93.675,67 13.916,68 1.106,69 1.819,70 40.665,71 13.019,72 134.99,73 17.825,74 1.249,75 1.884,76 48.601,77 13.302,78 210.493,79 19.714,80 1.669,81 1.812,82 44.224,83 11.453,84 289.177,85 16.596,86 1.059,87 1.939,88 43.223,89 13.104,90 153.311,91 18.451,92 1.215,93 2.105,94 50.316,95 14.99,96 189.785,97 20.571,98 1.824,99 2.198,100 53.857,101 16.097,102 300.613,103 22.319,104 122,105 52,106 0.252,107 0.579,108 0.719,109 0.791,110 0.829,111 0.842,112 3.642,113 0.918,114 -1.96,115 -2.02,116 -2.01,117 37.1,118 3,119 2,122 1,123 3,124 1,125 9,126 2,127 1,129 3,130 1,134 1,135 1,136 12,138 1,139 3,141 5,142 4,143 1,144 17,148 2,150 3,151 4,152 6,153 1,155 9,160 8,161 1,162 1,163 1,164 10,167 1,172 4,173 7,176 5,178 10,179 1,181 1,182 1,185 12,188 2,189 3,190 9,193 5,194 1,197 14,198 1,200 1,201 9,204 8,205 2,207 3,208 7,210 5,211 1,212 8,213 1,214 14,215 3,219 9,222 3,223 2,224 9,226 18,227 2,229 2958,230 23.61,231 23.61,232 23.61,233 23.61,234 23.61,235 21.485,236 24.382,237 13.959,238 23.914,239 18.688,240 18.688,241 18.688,242 18.688,243 18.688,244 15.472,245 23.207,246 6.6,247 19.183,248 4.535,249 2.456,250 1.573,251 1.115,252 0.875,253 0.79,254 4.303,259 844,260 5.958,262 321.072,265 1.611,266 67.93,268 0.25,269 0.33,270 0.33,271 0.7,272 1,273 0.17,275 0.4,276 83.5,277 421,278 4.18,279 3.861,280 6.448,281 4.074,282 3.136,283 3.626,284 2.376,285 10.161,286 2.936,287 4.115,288 3.795,289 6.207,290 3.937,291 2.953,292 3.476,293 2.189,294 9.254,295 2.893,296 4.037,297 3.699,298 6.025,299 3.784,300 2.798,301 3.254,302 1.982,303 8.642,304 2.753,305 3.891,306 3.595,307 5.824,308 3.623,309 2.637,310 3.184,311 1.922,312 7.908,313 2.589,314 3.873,315 3.167,316 5.372,317 3.508,318 2.524,319 3.063,320 0.427,321 6.993,322 2.482,323 3.676,324 2.817,325 5.282,326 3.35,327 2.351,328 2.86,329 0.333,330 6.678,331 2.341,332 3.423,333 2.733,334 4.889,335 3.053,336 2.079,337 2.659,338 0.174,339 5.682,340 1.998,341 3.379,342 2.453,343 4.883,344 3.001,345 2.017,346 2.535,347 0.026,348 5.577,349 1.965,350 2.932,351 2.214,352 4.258,353 2.53,354 1.533,355 2.087,356 3.858,357 1.522,358 2.633,359 2.015,360 3.868,361 2.331,362 1.354,363 1.597,364 3.124,365 1.308,366 2.5,367 1.901,368 3.627,369 2.159,370 1.179,371 1.5,372 2.756,373 1.133,374 2.5,375 1.491,376 3.452,377 2,378 1,379 1.5,380 2.275,381 1,382 2.463,383 1.095,384 3.414,385 2,386 1,387 1.369,388 2.136,389 1,390 2.24,391 1,392 3.247,393 1.895,394 0.888,395 1.07,396 2.126,397 0.88,398 1.354,399 1,400 3.078,401 1.101,402 0.192,403 0.209,405 0.349,406 0.171,407 16.867,408 0.456,409 1.213,410 0.033,411 41.25,412 1.115,413 18.5,414 0.5,415 22.75,416 0.615,417 38.982,418 1.054,419 43.133,420 0.616,421 42.151,422 1.139,423 8.569,424 0.232,425 8.805,426 0.238,427 0.227,428 0.03,429 0.296,430 0.852,431 1.325,432 0.855,433 1.168,434 0.755,435 1.028,436 0.557,437 1.269,438 0.811,439 1.185,440 0.523,441 1.082,442 1.06,443 1.1,444 1.166,445 1.13,446 0.958,447 1.171,448 1.027,449 1.047,450 0.905,451 0.922,452 1.068,453 0.88,454 1.092,455 1.007,456 1.007,457 0.858,458 1.131,459 0.888,460 1.025,461 1.067,462 0.956,463 0.997,464 1.061,465 0.955,466 1.272,467 1.082,468 1.038,469 1.013,470 1.286,471 0.968,472 1.002,473 0.915,474 0.995,475 0.92,476 1.01,477 0.944,478 10.5,479 0.491,480 3.778,481 2.563,482 2.173,483 1.236,484 1.182,485 1.049,486 0.745,487 0.577,488 17538,489 57712,490 1.885,491 47.1,493 14,494 6,496 13,498 1.792,499 1.714,500 3.46,501 3.06,506 111.618,507 1.595,508 3.674,509 4.557,510 5.014,511 5.254,512 5.34,513 2.823,514 4.703,515 5.181,516 3.674,517 2446.71,518 9.182,519 41099.8,523 429.05,524 1.684,525 5.096,526 0.276,527 0.009,528 0.073,529 0.05,530 0.041,531 0.021,532 0.019,533 0.016,534 0.011,535 0.009,536 0.526,537 0.17,538 0.5,539 1.627,540 202.33,541 -0.118,542 -0.022,543 -0.017,544 0.035,545 -0.111,546 0.037,547 0.204,548 -0.082,549 0.076,550 -0.071,551 0.129,552 -0.043,553 -0.079,554 -0.017,555 -0.208,556 -0.117,557 -0.119,558 -0.192,559 -0.04,560 -0.08,561 0.099,562 0.018,563 -0.023,564 0.086,565 0.091,566 0.042,567 0.013,568 0.07,569 0.141,570 0.032,571 -0.062,572 0.018,573 0.01,574 -0.006,575 -0.072,576 0.017,577 -0.186,578 -0.054,579 -0.048,580 -0.024,581 -0.149,582 -0.001,583 0.078,584 0.104,585 -0.001,586 0.064,587 0.115,588 0.023,589 3.1,590 6.333,591 0.324,592 40.596,593 1.017,594 1.134,595 0.733,596 0.537,597 0.63,598 3.664,599 3.97,600 4.06,601 4.234,602 4.382,603 4.357,604 4.466,605 4.585,606 4.585,607 4.554,608 7.506,609 0.61,610 515.62,611 3.664,612 5.198,613 5.989,614 6.847,615 7.657,616 8.514,617 9.334,618 10.191,619 11.017,620 11.874,621 4.3,625 3,628 9,630 3,631 12,634 1,637 70,638 16,639 2,640 38,641 71,642 26,643 12,644 3,645 9,647 2,648 2,650 4,652 5,653 16,654 10,655 1,656 4,658 4,659 4,662 33,663 11,664 6,665 11,667 3,668 1,669 8,670 1,674 2,678 2,679 1,683 1,684 2,685 2,688 3,691 37,694 3,695 3,697 3,698 1,700 3,702 1,704 11.4,705 1,706 2,707 4,708 1,709 21.583,710 12.683,711 8.208,712 3.804,713 1.524,714 1.218,715 0.86,716 11.371,717 8.531,718 3.892,719 4.369,720 4.663,721 5.05,722 5.471,723 5.301,724 5.478,725 5.797,726 5.946,727 5.946,728 1,729 51,730 13.935,731 6.057,732 8.268,733 25.018,734 19.724,735 2.768,736 102.417,739 317.82,740 140.284,741 54.032,743 239.63,745 140.284,746 557.449,747 54.032,748 26.476,749 59.101,750 127.97,751 196.266,752 17.371,753 6.763,754 317.82,756 317.82,757 194.316,758 239.63,760 164.795,761 349.971,762 42.683,763 85.577,764 108.739,767 317.82,768 293.662,769 140.284,771 317.82,772 28.522,773 111.762,774 54.032,775 239.63,776 317.82,777 293.662,778 140.284,779 0.581,780 0.304,781 0.153,782 0.082,783 19,784 12,785 0.183,786 13,788 1,789 4.421,790 332.881,792 12,793 179.995,797 30.096,798 13.979,799 10.794,801 293.662,802 14.782,804 1.333,805 182.082,806 751.765,807 48,809 50.039,810 -3.815,811 71.178,812 79.398,813 0.26,814 0.599,815 0.743,816 0.818,817 0.857,818 0.871,819 5.136,820 2.017,821 6.009,822 5.682,823 4.654,824 5.056,825 3.46,826 6.777,827 4.602,828 6.329,829 1.533,830 7.555,831 5.577,832 4.443,833 4.879,834 3.1,835 7.776,836 4.361,837 7.62,838 1.354,839 9.201,840 3.858,841 6.263,842 7.037,843 4.714,844 10.684,845 6.149,846 8.932,847 1.179,848 10.901,849 3.124,850 6.77,851 7.503,852 4.964,853 12.413,854 6.614,855 10.266,856 1,857 12.635,858 2.756,859 8.144,860 9.252,861 6.144,862 14.902,863 7.957,864 11.615,865 1,866 14.391,867 2.275,868 8.96,869 9.997,870 6.666,871 16.931,872 8.724,873 12.974,874 0.888,875 16.163,876 2.136,877 10.164,878 11.577,879 7.664,880 19.28,881 9.894,882 3.136,883 0.192,884 17.946,885 2.126,886 11.127,887 12.472,888 8.328,889 21.444,890 10.802,891 2.953,892 10.161,893 19.738,894 0.349,895 12.264,896 13.962,897 9.241,898 23.745,899 11.9,900 2.798,901 9.254,902 21.537,903 3.626,904 13.298,905 14.954,906 9.983,907 25.974,908 12.878,909 2.637,910 8.642,911 23.342,912 3.476,913 14.411,914 16.384,915 10.856,916 28.261,917 13.946,918 2.524,919 7.908,920 25.152,921 3.254,922 15.482,923 17.446,924 11.642,925 30.521,926 14.959,927 2.351,928 6.993,929 26.967,930 3.184,931 16.59,932 18.834,933 12.497,934 32.808,935 16.016,936 2.079,937 6.678,938 28.786,939 3.063,940 17.681,941 19.949,942 13.31,943 35.086,944 17.048,945 17945,946 32712,947 23.463,948 44.074,949 56.657,950 58.849,951 57.764,952 55.546,953 55.561,954 68.291,955 18.859,956 155.621,957 54.205,958 5.151,959 5.861,960 6.25,961 5.145,962 5.136,963 6.626,964 4.079,965 16.72,966 4.936,967 26.173,968 1.491,969 1.549,970 1.52,971 1.462,972 1.462,973 1.797,974 0.496,975 4.095,976 1.426,977 3.981,978 4.014,979 3.911,980 3.893,981 7.475,982 3.891,983 3.91,984 3.939,985 3.841,986 3.847,987 7.438,988 3.842,989 3.77,990 3.805,991 3.7,992 3.582,993 7.429,994 3.602,995 3.734,996 3.773,997 3.647,998 3.54,999 7.423,1000 3.553,1001 3.642,1002 3.684,1003 3.548,1004 3.441,1005 6.471,1006 3.464,1007 3.478,1008 3.52,1009 3.382,1010 3.293,1011 6.455,1012 3.305,1013 3.197,1014 3.208,1015 3.135,1016 2.893,1017 6.35,1018 2.945,1019 3.075,1020 3.095,1021 2.988,1022 2.844,1023 4.753,1024 2.863,1025 0.11,1026 0.102,1027 0.17,1028 0.107,1029 0.083,1030 4.18,1031 0.095,1032 3.861,1033 0.063,1034 6.448,1035 0.267,1036 4.074,1037 0.077,1038 3.136,1039 3.626,1040 2.376,1041 10.161,1042 2.936,1043 1.931,1044 1.902,1045 2.058,1046 2.042,1047 1.256,1048 2.045,1049 1.913,1050 1.887,1051 2.034,1052 2.005,1053 1.218,1054 2.016,1055 1.702,1056 1.656,1057 1.946,1058 1.91,1059 1.118,1060 1.915,1061 1.665,1062 1.624,1063 1.818,1064 1.891,1065 1.012,1066 1.872,1067 1.564,1068 1.524,1069 1.734,1070 1.796,1071 0.908,1072 1.778,1073 1.422,1074 1.378,1075 1.632,1076 1.644,1077 0.846,1078 1.636,1079 1.027,1080 1.005,1081 1.417,1082 1.365,1083 0.469,1084 1.308,1085 0.983,1086 0.937,1087 1.417,1088 1.312,1089 0.469,1090 1.308,1091 4.344,1092 5.652,1094 7.119,1096 8.653,1098 10.221,1099 5.006,1102 28.05,1103 -0.801,1105 7.317,1106 5.274,1108 -3.944,1110 -0.824,1111 42.685,1112 111.618,1113 257.158,1114 318.972,1115 351.011,1116 367.766,1117 373.766,1118 183.897,1119 7.007,1120 174.29,1121 174.29,1122 12,1123 12.433,1124 4.087,1125 3.459,1126 96.361,1127 162,1128 169,1129 0.277,1130 268.463,1131 488.76,1132 646.811,1133 8691,1135 27.587,1136 0.746,1137 0.566,1138 27.587,1139 20.932,1140 17.373,1141 0.457,1142 0.306,1143 11.445,1144 16.561,1145 11.097,1146 9.253,1147 17.373,1148 11.634,1149 16.565,1150 0.319,1151 0.181,1152 16.565,1153 9.402,1154 11.224,1155 0.197,1156 0.089,1157 11.224,1158 5.096,1159 8.861,1160 0.13,1161 0.049,1162 8.861,1163 3.316,1164 6.637,1165 0.084,1166 0.027,1167 6.637,1168 2.135,1169 0.429,1170 110.397,1171 0.206,1172 33.401,1173 0.778,1174 180,1175 644.125,1176 205.979,1177 603.909,1178 771.83,1179 554,1180 199,1181 521.309,1182 220.942,1183 521.74,1184 745.46,1185 486,1186 5} {0 CHEMBL139387,1 1.594,2 11.069,3 2.928,4 8.574,5 113.866,6 7.538,7 0.4,8 4.064,9 4.177,10 3.612,11 3.627,12 5.212,13 3.577,14 4.575,15 4.733,16 3.904,17 3.984,18 5.758,19 3.896,20 4.909,21 5.128,22 3.953,23 4.102,24 5.998,25 3.991,26 4.949,27 5.172,28 3.976,29 4.063,30 6.078,31 3.968,32 4.936,33 5.148,34 4.141,35 4.048,36 6.357,37 3.978,38 4.935,39 5.148,40 4.049,41 4.044,42 6.192,43 3.978,44 4.928,45 5.139,46 4.001,47 4.077,48 6.13,49 3.995,50 4.911,51 5.119,52 4.009,53 4.133,54 6.189,55 4.014,56 0.056,57 0.747,58 12.057,59 5.471,60 15.87,61 6.8,62 0.272,63 1.188,64 21.597,65 8.999,66 56.311,67 11.704,68 0.525,69 1.519,70 33.11,71 11.621,72 88.905,73 15.358,74 0.496,75 1.526,76 35.361,77 11.348,78 101.693,79 14.845,80 0.763,81 1.489,82 36.344,83 11.428,84 173.901,85 14.701,86 0.629,87 1.498,88 35.204,89 10.83,90 118.79,91 13.869,92 0.551,93 1.481,94 34.591,95 11.147,96 109.887,97 14.199,98 0.5,99 1.476,100 34.546,101 12.814,102 120.683,103 16.177,104 34,105 38,106 0.265,107 0.571,108 0.7,109 0.798,110 0.833,111 0.857,112 3.408,113 1.014,114 -3.82,115 -3.78,116 -3.59,117 40,119 4,122 1,123 2,125 10,126 2,129 3,134 1,135 1,136 15,139 1,141 3,142 3,143 1,144 17,145 1,148 3,150 2,151 2,152 4,155 12,160 4,161 1,164 4,167 5,172 2,173 6,176 2,178 8,179 1,181 4,182 1,185 8,188 1,189 1,190 7,193 5,194 1,197 7,198 1,201 4,204 10,205 3,207 1,208 6,210 1,212 5,214 12,215 3,219 5,224 5,226 12,227 2,229 1721,230 19.405,231 19.405,232 19.405,233 19.405,234 19.405,235 17.436,236 15.983,237 12.073,238 19.525,239 14.794,240 14.794,241 14.794,242 14.794,243 14.794,244 11.876,245 12.605,246 5.703,247 14.965,248 4.188,249 2.345,250 1.568,251 0.973,252 0.764,253 0.618,254 4.074,257 1,258 1,259 652,260 4.796,262 243.315,265 1.589,266 39.813,268 1,269 0.83,270 0.83,271 1,272 1,273 0.83,274 0.5,275 0.86,276 63,277 321,278 4.09,279 3.832,280 6.15,281 3.899,282 2.914,283 3.475,284 2.376,285 9.059,286 2.862,287 3.908,288 3.688,289 5.858,290 3.653,291 2.667,292 3.447,293 1.969,294 8.034,295 2.618,296 3.89,297 3.525,298 5.361,299 3.544,300 2.542,301 3.183,302 1.891,303 7.022,304 2.546,305 3.749,306 3.282,307 5.288,308 3.393,309 2.393,310 2.951,311 0.351,312 6.741,313 2.389,314 3.524,315 2.734,316 4.96,317 3.18,318 2.154,319 2.698,320 0.144,321 5.793,322 2.194,323 2.933,324 2.696,325 4.113,326 2.531,327 1.534,328 2.09,330 3.595,331 1.524,332 2.912,333 2.113,334 3.71,335 2.485,336 1.483,337 2.076,339 3.129,340 1.484,341 2.659,342 1.974,343 3.628,344 2.384,345 1.413,346 1.615,348 3.002,349 1.349,350 2.5,351 1.61,352 3.534,353 2.123,354 1.154,355 1.5,356 2.645,357 1.106,358 2.5,359 1.491,360 3.247,361 2,362 1,363 1.5,364 2.136,365 1,366 2.385,367 1.007,368 3.247,369 2,370 1,371 1.309,372 2.136,373 1,374 1.879,375 1,376 3.059,377 1.624,378 0.681,379 0.76,380 1.336,381 0.623,382 1.775,383 1,384 2.904,385 1.536,386 0.53,387 0.618,388 1.135,389 0.527,390 1.137,391 0.588,392 2.592,393 0.873,394 -0.121,395 -0.142,396 -0.309,397 -0.12,398 0.809,399 0.469,400 2.255,401 0.528,402 -0.395,403 -0.425,405 -0.711,406 -0.35,407 13.967,408 0.482,409 0.596,410 0.021,411 33.5,412 1.155,413 16.5,414 0.569,415 17,416 0.586,417 27.045,418 0.933,419 32.233,420 0.586,421 26.762,422 0.923,423 6.534,424 0.225,425 7.456,426 0.257,427 0.155,429 0.251,430 0.735,431 1.167,432 0.894,433 1.041,434 0.641,435 0.987,436 0.465,437 1.297,438 0.967,439 1.206,440 0.496,441 1.197,442 0.913,443 0.995,444 0.964,445 0.967,446 0.974,447 1.036,448 1.338,449 1.034,450 0.959,451 0.917,452 1.316,453 0.967,454 1.024,455 1.082,456 0.818,457 0.957,458 1.004,459 0.9,460 1.45,461 0.972,462 0.946,463 0.861,464 1.439,465 0.898,466 1.517,467 0.893,468 0.987,469 0.837,470 1.496,471 0.904,472 0.848,473 1.03,474 0.999,475 1.079,476 0.872,477 1.052,478 5.5,479 0.153,480 2.444,481 1.375,482 1.582,483 0.764,484 0.552,485 0.552,486 0.309,487 0.206,488 9998,489 30309,490 1.957,491 47.3,492 2,493 14,494 4,495 2,496 2,497 2,498 1.726,499 1.832,500 3.426,501 1.629,502 1,503 1,506 87.656,507 1.594,508 3.436,509 4.213,510 4.808,511 5.018,512 5.163,513 2.823,514 4.444,515 4.827,516 3.609,517 1465.3,518 8.447,519 20864.3,521 1,522 1,523 317.975,524 1.384,525 4.785,526 0.183,527 0.006,528 0.064,529 0.036,530 0.043,531 0.018,532 0.014,533 0.014,534 0.008,535 0.006,536 0.392,537 0.33,538 0.88,539 1.541,540 148.368,541 -0.078,542 0.007,543 -0.057,544 0.008,545 -0.058,546 0.024,547 0.202,548 -0.192,549 -0.114,550 -0.202,551 0.114,552 -0.195,553 0.025,554 0.02,555 -0.081,556 -0.054,557 -0.079,558 -0.078,559 -0.167,560 -0.05,561 -0.044,562 -0.024,563 -0.159,564 -0.032,565 0.234,566 -0.101,567 0.156,568 -0.031,569 0.275,570 0.039,571 -0.118,572 0.033,573 -0.014,574 0.018,575 -0.103,576 0.013,577 -0.23,578 0.092,579 -0.065,580 0.063,581 -0.181,582 0.025,583 0.107,584 -0.057,585 -0.027,586 -0.072,587 0.142,588 -0.054,589 2.79,590 5.733,591 0.414,592 29.712,593 1.003,594 1.122,595 2.589,596 6.705,597 0.666,598 3.434,599 3.664,600 3.807,601 3.951,602 4.111,603 3.951,604 4.007,605 4.094,606 4.06,607 3.97,608 6.883,609 0.626,610 414.57,611 3.434,612 4.92,613 5.707,614 6.529,615 7.338,616 8.163,617 8.979,618 9.806,619 10.627,620 11.455,621 3.6,625 2,628 10,630 2,631 12,637 55,638 15,639 2,640 30,641 56,642 22,643 12,644 2,645 10,647 2,648 2,650 1,652 6,653 15,654 7,656 3,658 3,659 3,661 1,662 26,663 6,664 3,665 7,666 1,667 2,668 1,669 4,674 2,678 2,679 1,684 1,685 2,687 1,690 1,691 29,694 1,695 5,696 1,697 2,700 2,704 7.3,706 1,707 3,709 15.833,710 9.15,711 6.722,712 3.164,713 1.641,714 1.249,715 0.909,716 9.751,717 8.222,718 3.689,719 4.127,720 4.472,721 4.846,722 5.285,723 4.958,724 5.121,725 5.383,726 5.546,727 5.461,728 1,729 38,730 10.839,731 4.559,732 8.042,733 20.123,734 15.902,735 2.542,736 73.722,738 1,739 269.783,740 161.054,741 36.022,743 118.118,744 38.564,745 122.491,746 387.901,747 36.022,749 47.059,750 94.762,751 139.256,752 6.371,754 297.528,756 269.783,757 158.512,758 118.118,759 38.564,760 222.698,761 165.203,763 47.059,764 111.453,766 38.564,767 269.783,768 154.14,769 161.054,771 269.783,772 27.728,773 94.762,774 36.022,775 156.682,776 269.783,777 154.14,778 161.054,779 0.557,780 0.309,781 0.16,782 0.092,783 13,784 7,785 0.196,786 11,788 1,789 4.029,790 227.813,792 12,793 132.881,794 1,797 22.985,798 12.303,799 8.302,801 154.14,802 18.895,804 1.906,805 78.705,806 584.977,807 39,809 36.531,810 -1.9,811 55.192,812 61.737,813 0.276,814 0.594,815 0.729,816 0.832,817 0.868,818 0.893,819 4.875,820 1.413,821 5.645,822 3.129,823 4.344,824 4.812,825 3.124,826 6.337,827 4.324,828 6.017,829 1.154,830 7.133,831 3.002,832 3.761,833 4.331,834 2.848,835 7.008,836 3.75,837 7.265,838 1,839 8.72,840 2.645,841 5.82,842 6.754,843 4.347,844 10.039,845 5.781,846 8.538,847 1,848 10.366,849 2.136,850 6.043,851 6.989,852 4.665,853 11.527,854 6.004,855 9.839,856 0.681,857 12.049,858 2.136,859 7.553,860 8.94,861 5.772,862 14.042,863 7.49,864 11.158,865 0.53,866 13.758,867 1.336,868 8.161,869 9.5,870 6.354,871 15.88,872 8.088,873 12.489,874 -0.121,875 15.484,876 1.135,877 9.422,878 11.238,879 7.306,880 18.197,881 9.328,882 2.914,883 -0.395,884 17.223,885 -0.309,886 10.23,887 11.979,888 8.019,889 20.204,890 10.12,891 2.667,892 9.059,893 18.972,894 -0.711,895 11.37,896 13.592,897 8.908,898 22.441,899 11.242,900 2.542,901 8.034,902 20.729,903 3.475,904 12.285,905 14.452,906 9.689,907 24.534,908 12.137,909 2.393,910 7.022,911 22.492,912 3.447,913 13.369,914 15.978,915 10.553,916 26.739,917 13.203,918 2.154,919 6.741,920 24.26,921 3.183,922 14.343,923 16.924,924 11.371,925 28.877,926 14.155,927 1.534,928 5.793,929 26.033,930 2.951,931 15.403,932 18.385,933 12.228,934 31.071,935 15.196,936 1.483,937 3.595,938 27.81,939 2.698,940 16.409,941 19.398,942 13.065,943 33.234,944 16.181,945 10102,946 17701,947 19.474,948 36.614,949 43.607,950 46.139,951 44.37,952 42.967,953 42.93,954 54.441,955 13.463,956 111.524,957 42.444,958 5.047,959 5.832,960 5.952,961 4.924,962 4.914,963 6.475,964 3.99,965 15.459,966 4.862,967 15.61,968 1.454,969 1.538,970 1.479,971 1.432,972 1.431,973 1.815,974 0.449,975 3.717,976 1.415,977 3.968,978 4.003,979 3.896,980 3.891,981 7.474,982 3.884,983 3.904,984 3.936,985 3.828,986 3.848,987 7.432,988 3.839,989 3.772,990 3.811,991 3.775,992 3.612,993 7.423,994 3.613,995 3.637,996 3.68,997 3.62,998 3.47,999 6.351,1000 3.473,1001 3.442,1002 3.486,1003 3.478,1004 3.301,1005 4.763,1006 3.291,1007 3.244,1008 3.273,1009 3.311,1010 3.087,1011 4.739,1012 3.038,1013 3.05,1014 3.08,1015 2.954,1016 2.849,1017 4.323,1018 2.855,1019 3.022,1020 3.076,1021 2.892,1022 2.781,1023 4.129,1024 2.818,1025 0.136,1026 0.128,1027 0.205,1028 0.13,1029 0.097,1030 4.09,1031 0.116,1032 3.832,1033 0.079,1034 6.15,1035 0.302,1036 3.899,1037 0.095,1038 2.914,1039 3.475,1040 2.376,1041 9.059,1042 2.862,1043 1.932,1044 1.902,1045 2.065,1046 2.036,1047 1.26,1048 2.045,1049 1.917,1050 1.888,1051 2.05,1052 2,1053 1.224,1054 2.019,1055 1.705,1056 1.664,1057 1.873,1058 1.904,1059 1.183,1060 1.899,1061 1.586,1062 1.541,1063 1.776,1064 1.786,1065 0.927,1066 1.785,1067 1.425,1068 1.377,1069 1.656,1070 1.605,1071 0.864,1072 1.625,1073 1.156,1074 1.122,1075 1.354,1076 1.414,1077 0.525,1078 1.42,1079 0.986,1080 0.936,1081 1.226,1082 1.247,1083 0.332,1084 1.23,1085 0.905,1086 0.883,1087 1.181,1088 1.22,1089 0.229,1090 1.187,1091 4.111,1092 5.361,1094 6.79,1096 8.295,1098 9.838,1102 9.281,1103 1.594,1104 4.042,1105 5.274,1108 -1.901,1111 34.411,1112 87.656,1113 189.007,1114 231.736,1115 264.465,1116 275.975,1117 283.975,1118 99.459,1119 6.581,1120 95.5,1121 134.3,1122 12,1123 12.031,1124 4,1125 3.322,1126 64.997,1127 111,1128 130,1129 0.261,1130 221.373,1131 394.55,1132 531.91,1133 5432,1135 21.062,1136 0.726,1137 0.585,1138 21.562,1139 16.977,1140 13.99,1141 0.466,1142 0.338,1143 9.468,1144 13.272,1145 9.228,1146 7.643,1147 14.344,1148 10.138,1149 11.928,1150 0.314,1151 0.188,1152 12.178,1153 7.154,1154 8.94,1155 0.203,1156 0.107,1157 9.084,1158 4.708,1159 6.807,1160 0.133,1161 0.062,1162 6.992,1163 3.145,1164 5.545,1165 0.092,1166 0.034,1167 5.771,1168 2.053,1169 0.409,1170 90.604,1171 0.227,1172 27.76,1173 0.719,1174 136,1175 434.12,1176 158.435,1177 431.426,1178 552.5,1179 398,1180 150,1181 361.121,1182 166.344,1183 367.857,1184 524.14,1185 346,1186 8} {0 CHEMBL139624,1 1.594,2 11.069,3 2.928,4 8.574,5 113.866,6 7.538,7 0.4,8 4.064,9 4.177,10 3.612,11 3.627,12 5.212,13 3.577,14 4.575,15 4.733,16 3.904,17 3.984,18 5.758,19 3.896,20 4.909,21 5.128,22 3.953,23 4.102,24 5.998,25 3.991,26 4.949,27 5.172,28 3.976,29 4.063,30 6.078,31 3.968,32 4.936,33 5.148,34 4.141,35 4.048,36 6.357,37 3.978,38 4.935,39 5.148,40 4.049,41 4.044,42 6.192,43 3.978,44 4.928,45 5.139,46 4.001,47 4.077,48 6.13,49 3.995,50 4.911,51 5.119,52 4.009,53 4.133,54 6.189,55 4.014,56 0.056,57 0.747,58 12.057,59 5.471,60 15.87,61 6.8,62 0.272,63 1.188,64 21.597,65 8.999,66 56.311,67 11.704,68 0.525,69 1.519,70 33.11,71 11.621,72 88.905,73 15.358,74 0.496,75 1.526,76 35.361,77 11.348,78 101.693,79 14.845,80 0.763,81 1.489,82 36.344,83 11.428,84 173.901,85 14.701,86 0.629,87 1.498,88 35.204,89 10.83,90 118.79,91 13.869,92 0.551,93 1.481,94 34.591,95 11.147,96 109.887,97 14.199,98 0.5,99 1.476,100 34.546,101 12.814,102 120.683,103 16.177,104 34,105 38,106 0.265,107 0.571,108 0.7,109 0.798,110 0.833,111 0.857,112 3.408,113 1.014,114 -3.82,115 -3.78,116 -3.59,117 40,119 4,122 1,123 2,125 10,126 2,129 3,134 1,135 1,136 15,139 1,141 3,142 3,143 1,144 17,145 1,148 3,150 2,151 2,152 4,155 12,160 4,161 1,164 4,167 5,172 2,173 6,176 2,178 8,179 1,181 4,182 1,185 8,188 1,189 1,190 7,193 5,194 1,197 7,198 1,201 4,204 10,205 3,207 1,208 6,210 1,212 5,214 12,215 3,219 5,224 5,226 12,227 2,229 1721,230 19.405,231 19.405,232 19.405,233 19.405,234 19.405,235 17.436,236 15.983,237 12.073,238 19.525,239 14.794,240 14.794,241 14.794,242 14.794,243 14.794,244 11.876,245 12.605,246 5.703,247 14.965,248 4.188,249 2.345,250 1.568,251 0.973,252 0.764,253 0.618,254 4.074,257 1,258 1,259 652,260 4.796,262 243.315,265 1.589,266 39.813,268 1,269 0.83,270 0.83,271 1,272 1,273 0.83,274 0.5,275 0.86,276 63,277 321,278 4.09,279 3.832,280 6.15,281 3.899,282 2.914,283 3.475,284 2.376,285 9.059,286 2.862,287 3.908,288 3.688,289 5.858,290 3.653,291 2.667,292 3.447,293 1.969,294 8.034,295 2.618,296 3.89,297 3.525,298 5.361,299 3.544,300 2.542,301 3.183,302 1.891,303 7.022,304 2.546,305 3.749,306 3.282,307 5.288,308 3.393,309 2.393,310 2.951,311 0.351,312 6.741,313 2.389,314 3.524,315 2.734,316 4.96,317 3.18,318 2.154,319 2.698,320 0.144,321 5.793,322 2.194,323 2.933,324 2.696,325 4.113,326 2.531,327 1.534,328 2.09,330 3.595,331 1.524,332 2.912,333 2.113,334 3.71,335 2.485,336 1.483,337 2.076,339 3.129,340 1.484,341 2.659,342 1.974,343 3.628,344 2.384,345 1.413,346 1.615,348 3.002,349 1.349,350 2.5,351 1.61,352 3.534,353 2.123,354 1.154,355 1.5,356 2.645,357 1.106,358 2.5,359 1.491,360 3.247,361 2,362 1,363 1.5,364 2.136,365 1,366 2.385,367 1.007,368 3.247,369 2,370 1,371 1.309,372 2.136,373 1,374 1.879,375 1,376 3.059,377 1.624,378 0.681,379 0.76,380 1.336,381 0.623,382 1.775,383 1,384 2.904,385 1.536,386 0.53,387 0.618,388 1.135,389 0.527,390 1.137,391 0.588,392 2.592,393 0.873,394 -0.121,395 -0.142,396 -0.309,397 -0.12,398 0.809,399 0.469,400 2.255,401 0.528,402 -0.395,403 -0.425,405 -0.711,406 -0.35,407 13.967,408 0.482,409 0.596,410 0.021,411 33.5,412 1.155,413 16.5,414 0.569,415 17,416 0.586,417 27.045,418 0.933,419 32.233,420 0.586,421 26.762,422 0.923,423 6.534,424 0.225,425 7.456,426 0.257,427 0.155,429 0.251,430 0.735,431 1.167,432 0.894,433 1.041,434 0.641,435 0.987,436 0.465,437 1.297,438 0.967,439 1.206,440 0.496,441 1.197,442 0.913,443 0.995,444 0.964,445 0.967,446 0.974,447 1.036,448 1.338,449 1.034,450 0.959,451 0.917,452 1.316,453 0.967,454 1.024,455 1.082,456 0.818,457 0.957,458 1.004,459 0.9,460 1.45,461 0.972,462 0.946,463 0.861,464 1.439,465 0.898,466 1.517,467 0.893,468 0.987,469 0.837,470 1.496,471 0.904,472 0.848,473 1.03,474 0.999,475 1.079,476 0.872,477 1.052,478 5.5,479 0.153,480 2.444,481 1.375,482 1.582,483 0.764,484 0.552,485 0.552,486 0.309,487 0.206,488 9998,489 30309,490 1.957,491 47.3,492 2,493 14,494 4,495 2,496 2,497 2,498 1.726,499 1.832,500 3.426,501 1.629,502 1,503 1,506 87.656,507 1.594,508 3.436,509 4.213,510 4.808,511 5.018,512 5.163,513 2.823,514 4.444,515 4.827,516 3.609,517 1465.3,518 8.447,519 20864.3,521 1,522 1,523 317.975,524 1.384,525 4.785,526 0.183,527 0.006,528 0.064,529 0.036,530 0.043,531 0.018,532 0.014,533 0.014,534 0.008,535 0.006,536 0.392,537 0.33,538 0.88,539 1.541,540 148.368,541 -0.078,542 0.007,543 -0.057,544 0.008,545 -0.058,546 0.024,547 0.202,548 -0.192,549 -0.114,550 -0.202,551 0.114,552 -0.195,553 0.025,554 0.02,555 -0.081,556 -0.054,557 -0.079,558 -0.078,559 -0.167,560 -0.05,561 -0.044,562 -0.024,563 -0.159,564 -0.032,565 0.234,566 -0.101,567 0.156,568 -0.031,569 0.275,570 0.039,571 -0.118,572 0.033,573 -0.014,574 0.018,575 -0.103,576 0.013,577 -0.23,578 0.092,579 -0.065,580 0.063,581 -0.181,582 0.025,583 0.107,584 -0.057,585 -0.027,586 -0.072,587 0.142,588 -0.054,589 2.79,590 5.733,591 0.414,592 29.712,593 1.003,594 1.122,595 2.589,596 6.705,597 0.666,598 3.434,599 3.664,600 3.807,601 3.951,602 4.111,603 3.951,604 4.007,605 4.094,606 4.06,607 3.97,608 6.883,609 0.626,610 414.57,611 3.434,612 4.92,613 5.707,614 6.529,615 7.338,616 8.163,617 8.979,618 9.806,619 10.627,620 11.455,621 3.6,625 2,628 10,630 2,631 12,637 55,638 15,639 2,640 30,641 56,642 22,643 12,644 2,645 10,647 2,648 2,650 1,652 6,653 15,654 7,656 3,658 3,659 3,661 1,662 26,663 6,664 3,665 7,666 1,667 2,668 1,669 4,674 2,678 2,679 1,684 1,685 2,687 1,690 1,691 29,694 1,695 5,696 1,697 2,700 2,704 7.3,706 1,707 3,709 15.833,710 9.15,711 6.722,712 3.164,713 1.641,714 1.249,715 0.909,716 9.751,717 8.222,718 3.689,719 4.127,720 4.472,721 4.846,722 5.285,723 4.958,724 5.121,725 5.383,726 5.546,727 5.461,728 1,729 38,730 10.839,731 4.559,732 8.042,733 20.123,734 15.902,735 2.542,736 73.722,738 1,739 269.783,740 161.054,741 36.022,743 118.118,744 38.564,745 122.491,746 387.901,747 36.022,749 47.059,750 94.762,751 139.256,752 6.371,754 297.528,756 269.783,757 158.512,758 118.118,759 38.564,760 222.698,761 165.203,763 47.059,764 111.453,766 38.564,767 269.783,768 154.14,769 161.054,771 269.783,772 27.728,773 94.762,774 36.022,775 156.682,776 269.783,777 154.14,778 161.054,779 0.557,780 0.309,781 0.16,782 0.092,783 13,784 7,785 0.196,786 11,788 1,789 4.029,790 227.813,792 12,793 132.881,794 1,797 22.985,798 12.303,799 8.302,801 154.14,802 18.895,804 1.906,805 78.705,806 584.977,807 39,809 36.531,810 -1.9,811 55.192,812 61.737,813 0.276,814 0.594,815 0.729,816 0.832,817 0.868,818 0.893,819 4.875,820 1.413,821 5.645,822 3.129,823 4.344,824 4.812,825 3.124,826 6.337,827 4.324,828 6.017,829 1.154,830 7.133,831 3.002,832 3.761,833 4.331,834 2.848,835 7.008,836 3.75,837 7.265,838 1,839 8.72,840 2.645,841 5.82,842 6.754,843 4.347,844 10.039,845 5.781,846 8.538,847 1,848 10.366,849 2.136,850 6.043,851 6.989,852 4.665,853 11.527,854 6.004,855 9.839,856 0.681,857 12.049,858 2.136,859 7.553,860 8.94,861 5.772,862 14.042,863 7.49,864 11.158,865 0.53,866 13.758,867 1.336,868 8.161,869 9.5,870 6.354,871 15.88,872 8.088,873 12.489,874 -0.121,875 15.484,876 1.135,877 9.422,878 11.238,879 7.306,880 18.197,881 9.328,882 2.914,883 -0.395,884 17.223,885 -0.309,886 10.23,887 11.979,888 8.019,889 20.204,890 10.12,891 2.667,892 9.059,893 18.972,894 -0.711,895 11.37,896 13.592,897 8.908,898 22.441,899 11.242,900 2.542,901 8.034,902 20.729,903 3.475,904 12.285,905 14.452,906 9.689,907 24.534,908 12.137,909 2.393,910 7.022,911 22.492,912 3.447,913 13.369,914 15.978,915 10.553,916 26.739,917 13.203,918 2.154,919 6.741,920 24.26,921 3.183,922 14.343,923 16.924,924 11.371,925 28.877,926 14.155,927 1.534,928 5.793,929 26.033,930 2.951,931 15.403,932 18.385,933 12.228,934 31.071,935 15.196,936 1.483,937 3.595,938 27.81,939 2.698,940 16.409,941 19.398,942 13.065,943 33.234,944 16.181,945 10102,946 17701,947 19.474,948 36.614,949 43.607,950 46.139,951 44.37,952 42.967,953 42.93,954 54.441,955 13.463,956 111.524,957 42.444,958 5.047,959 5.832,960 5.952,961 4.924,962 4.914,963 6.475,964 3.99,965 15.459,966 4.862,967 15.61,968 1.454,969 1.538,970 1.479,971 1.432,972 1.431,973 1.815,974 0.449,975 3.717,976 1.415,977 3.968,978 4.003,979 3.896,980 3.891,981 7.474,982 3.884,983 3.904,984 3.936,985 3.828,986 3.848,987 7.432,988 3.839,989 3.772,990 3.811,991 3.775,992 3.612,993 7.423,994 3.613,995 3.637,996 3.68,997 3.62,998 3.47,999 6.351,1000 3.473,1001 3.442,1002 3.486,1003 3.478,1004 3.301,1005 4.763,1006 3.291,1007 3.244,1008 3.273,1009 3.311,1010 3.087,1011 4.739,1012 3.038,1013 3.05,1014 3.08,1015 2.954,1016 2.849,1017 4.323,1018 2.855,1019 3.022,1020 3.076,1021 2.892,1022 2.781,1023 4.129,1024 2.818,1025 0.136,1026 0.128,1027 0.205,1028 0.13,1029 0.097,1030 4.09,1031 0.116,1032 3.832,1033 0.079,1034 6.15,1035 0.302,1036 3.899,1037 0.095,1038 2.914,1039 3.475,1040 2.376,1041 9.059,1042 2.862,1043 1.932,1044 1.902,1045 2.065,1046 2.036,1047 1.26,1048 2.045,1049 1.917,1050 1.888,1051 2.05,1052 2,1053 1.224,1054 2.019,1055 1.705,1056 1.664,1057 1.873,1058 1.904,1059 1.183,1060 1.899,1061 1.586,1062 1.541,1063 1.776,1064 1.786,1065 0.927,1066 1.785,1067 1.425,1068 1.377,1069 1.656,1070 1.605,1071 0.864,1072 1.625,1073 1.156,1074 1.122,1075 1.354,1076 1.414,1077 0.525,1078 1.42,1079 0.986,1080 0.936,1081 1.226,1082 1.247,1083 0.332,1084 1.23,1085 0.905,1086 0.883,1087 1.181,1088 1.22,1089 0.229,1090 1.187,1091 4.111,1092 5.361,1094 6.79,1096 8.295,1098 9.838,1102 9.281,1103 1.594,1104 4.042,1105 5.274,1108 -1.901,1111 34.411,1112 87.656,1113 189.007,1114 231.736,1115 264.465,1116 275.975,1117 283.975,1118 99.459,1119 6.581,1120 95.5,1121 134.3,1122 12,1123 12.031,1124 4,1125 3.322,1126 64.997,1127 111,1128 130,1129 0.261,1130 221.373,1131 394.55,1132 531.91,1133 5432,1135 21.062,1136 0.726,1137 0.585,1138 21.562,1139 16.977,1140 13.99,1141 0.466,1142 0.338,1143 9.468,1144 13.272,1145 9.228,1146 7.643,1147 14.344,1148 10.138,1149 11.928,1150 0.314,1151 0.188,1152 12.178,1153 7.154,1154 8.94,1155 0.203,1156 0.107,1157 9.084,1158 4.708,1159 6.807,1160 0.133,1161 0.062,1162 6.992,1163 3.145,1164 5.545,1165 0.092,1166 0.034,1167 5.771,1168 2.053,1169 0.409,1170 90.604,1171 0.227,1172 27.76,1173 0.719,1174 136,1175 434.12,1176 158.435,1177 431.426,1178 552.5,1179 398,1180 150,1181 361.121,1182 166.344,1183 367.857,1184 524.14,1185 346,1186 6.215} {0 CHEMBL139740,1 1.617,2 11.107,3 1.168,4 1.364,5 101.83,6 7.558,7 0.414,8 4.013,9 4.13,10 3.542,11 3.502,12 5.254,13 3.497,14 4.494,15 4.647,16 3.868,17 3.864,18 5.784,19 3.824,20 4.829,21 5.03,22 3.908,23 3.99,24 6.08,25 3.92,26 4.878,27 5.108,28 3.825,29 3.945,30 6.028,31 3.872,32 4.829,33 5.052,34 3.982,35 3.933,36 6.226,37 3.886,38 4.887,39 5.104,40 3.969,41 3.948,42 6.199,43 3.909,44 4.884,45 5.097,46 3.884,47 3.931,48 6.185,49 3.888,50 4.796,51 5.007,52 3.872,53 3.912,54 6.228,55 3.843,56 0.147,57 0.714,58 10.283,59 4.484,60 27.482,61 5.64,62 0.346,63 1.091,64 17.674,65 7.325,66 58.89,67 9.803,68 0.719,69 1.345,70 28.072,71 9.517,72 112.861,73 12.951,74 0.682,75 1.344,76 31.049,77 9.301,78 123.803,79 13.163,80 0.735,81 1.33,82 28.783,83 8.898,84 148.884,85 13.07,86 0.775,87 1.369,88 30.937,89 8.967,90 126.712,91 12.651,92 0.832,93 1.303,94 31.527,95 9.061,96 149.003,97 12.24,98 0.751,99 1.239,100 27.748,101 9.295,102 142.271,103 12.943,104 41,105 38,106 0.273,107 0.6,108 0.727,109 0.828,110 0.877,111 0.877,112 3.374,113 0.902,114 -2.14,115 -2.18,116 -2.16,117 39.2,119 2,122 1,123 2,125 9,126 2,127 1,129 3,131 1,132 1,133 1,134 1,135 1,136 12,141 3,142 4,143 1,144 14,146 1,148 2,149 1,150 3,151 3,152 6,154 1,155 9,158 1,160 3,161 1,164 7,167 1,170 2,172 2,173 5,176 2,178 10,179 1,181 1,182 1,183 3,185 8,187 1,188 2,189 2,190 8,192 1,193 2,194 1,195 1,197 5,198 1,200 1,201 5,203 1,204 5,205 2,206 2,207 1,208 5,210 2,211 1,212 6,213 1,214 8,215 3,216 2,217 1,219 5,221 1,222 1,223 1,224 6,225 1,226 9,227 2,228 1,229 1470,230 18.275,231 18.275,232 18.275,233 18.275,234 18.275,235 16.281,236 17.665,237 11.071,238 18.397,239 14.294,240 14.294,241 14.294,242 14.294,243 14.294,244 11.302,245 13.222,246 5.328,247 14.478,248 4.056,249 2.114,250 1.359,251 0.76,252 0.471,253 0.471,254 4.036,257 1,258 1,259 633,260 4.637,262 231.287,265 1.686,266 45.28,268 0.75,269 0.83,270 0.67,271 0.9,272 1,273 0.67,274 0.5,275 0.76,276 62.5,277 311,278 4.103,279 3.811,280 6.137,281 3.9,282 2.912,283 3.624,284 2.376,285 9.002,286 2.87,287 4.021,288 3.657,289 5.854,290 3.713,291 2.717,292 3.474,293 1.984,294 8.046,295 2.702,296 3.851,297 3.569,298 5.361,299 3.485,300 2.496,301 3.17,302 1.923,303 6.918,304 2.465,305 3.742,306 2.817,307 5.291,308 3.403,309 2.406,310 2.953,311 0.373,312 6.711,313 2.392,314 3.512,315 2.731,316 4.884,317 3.167,318 2.171,319 2.685,320 0.213,321 5.653,322 2.137,323 3.382,324 2.449,325 4.669,326 3.006,327 2.029,328 2.639,329 0.034,330 5.173,331 1.967,332 2.93,333 2.024,334 4.167,335 2.527,336 1.53,337 2.086,339 3.733,340 1.521,341 2.567,342 1.822,343 3.74,344 2.308,345 1.334,346 1.536,348 3.08,349 1.29,350 2.5,351 1.491,352 3.509,353 2,354 1,355 1.5,356 2.381,357 1,358 2.5,359 1.438,360 3.414,361 2,362 1,363 1.5,364 2.275,365 1,366 2.271,367 1,368 3.247,369 1.958,370 0.954,371 1.134,372 2.136,373 0.946,374 1.691,375 1,376 2.802,377 1.343,378 0.339,379 0.408,380 0.728,381 0.333,382 1.298,383 0.558,384 2.745,385 1.023,386 0.069,387 0.08,388 0.156,389 0.065,390 1.137,391 0.516,392 2.327,393 0.847,394 -0.157,395 -0.189,396 -0.389,397 -0.156,398 0.669,399 0.408,400 2,401 0.283,402 -0.666,403 -0.747,405 -1.606,406 -0.618,407 12.867,408 0.46,409 0.74,410 0.026,411 34,412 1.214,413 17,414 0.607,415 17,416 0.607,417 22.473,418 0.803,419 31.533,420 0.618,421 29.341,422 1.048,423 7.237,424 0.258,425 6.109,426 0.218,427 0.161,429 0.311,430 0.857,431 1.151,432 0.847,433 1,434 0.766,435 0.92,436 0.516,437 1.301,438 0.881,439 1.242,440 0.52,441 1.159,442 0.906,443 1.02,444 1.094,445 1.085,446 0.978,447 1.131,448 1.131,449 1.035,450 1.079,451 0.964,452 1.134,453 0.995,454 0.632,455 1.171,456 0.779,457 1.022,458 0.619,459 0.939,460 1.101,461 1.024,462 1.012,463 0.963,464 1.13,465 0.958,466 1.424,467 0.896,468 1.147,469 0.868,470 1.446,471 0.925,472 0.728,473 1.071,474 0.93,475 1.101,476 0.744,477 1.068,478 6.5,479 0.14,480 2.889,481 1.313,482 1.613,483 0.903,484 0.631,485 0.552,486 0.349,487 0.187,488 9137,489 30700,490 1.936,491 45.1,493 13,494 6,496 4,498 1.715,499 1.787,500 3.439,501 3.356,502 1,503 1,506 82.449,507 1.617,508 3.558,509 4.314,510 4.913,511 5.202,512 5.202,513 2.897,514 3.744,515 4.776,516 3.62,517 1368.52,518 8.335,519 18845.2,521 1,523 289.294,524 1.493,525 4.719,526 0.224,527 0.006,528 0.076,529 0.035,530 0.047,531 0.023,532 0.016,533 0.015,534 0.01,535 0.006,536 0.46,537 0.17,538 1,539 1.335,540 141.757,541 -0.144,542 0.103,543 -0.035,544 0.124,545 -0.121,546 0.086,547 0.151,548 -0.128,549 -0.038,550 -0.151,551 0.104,552 -0.143,553 0.008,554 0.023,555 -0.148,556 -0.091,557 -0.071,558 -0.156,559 -0.176,560 -0.054,561 -0.091,562 -0.011,563 -0.155,564 -0.025,565 0.221,566 -0.158,567 0.188,568 -0.055,569 0.259,570 0.043,571 -0.062,572 -0.009,573 -0.016,574 -0.031,575 -0.071,576 -0.016,577 -0.243,578 0.073,579 -0.127,580 0.069,581 -0.203,582 0.013,583 0.184,584 -0.087,585 0.034,586 -0.101,587 0.199,588 -0.072,589 2.845,590 5.476,591 0.429,592 28.143,593 1.015,594 1.131,595 0.908,596 0.825,597 0.645,598 3.401,599 3.664,600 3.784,601 3.912,602 4.127,603 4.007,604 4.025,605 4.094,606 3.989,607 3.892,608 6.809,609 0.626,610 385.46,611 3.401,612 4.905,613 5.694,614 6.524,615 7.335,616 8.166,617 8.987,618 9.82,619 10.646,620 11.479,621 5.9,622 1,625 2,628 9,630 3,631 12,634 1,637 51,638 15,639 2,640 29,641 52,642 20,643 12,644 3,645 9,647 2,648 2,652 4,653 15,654 5,656 3,658 3,659 3,660 1,661 1,662 23,663 8,664 6,665 8,667 3,668 1,669 5,674 2,678 2,679 1,682 1,684 1,685 2,691 28,692 1,694 2,695 3,697 2,700 2,704 9.8,706 2,707 3,709 15.667,710 8.4,711 6.306,712 2.711,713 1.721,714 1.262,715 0.898,716 8.141,717 8.283,718 3.664,719 4.143,720 4.489,721 4.86,722 5.355,723 5.124,724 5.221,725 5.502,726 5.535,727 5.449,728 1,729 37,730 10.427,731 4.458,732 8.256,733 18.908,734 14.927,735 2.756,736 77.167,739 200.109,740 109.151,741 68.919,743 160.801,745 109.151,746 360.91,747 68.919,749 76.093,750 85.286,751 171.121,752 6.371,754 200.109,756 200.109,757 178.07,758 160.801,760 153.024,761 207.886,763 76.093,764 101.977,767 200.109,768 229.72,769 109.151,771 200.109,772 23.865,773 85.286,774 36.022,775 193.699,776 200.109,777 229.72,778 109.151,779 0.572,780 0.306,781 0.146,782 0.09,783 14,784 8,785 0.173,786 9,788 1,789 3.922,790 218.186,792 12,793 126.606,797 21.571,798 10.567,799 7.438,801 229.72,802 15.358,804 1.681,805 154.285,806 538.98,807 38,809 35.526,810 -2.307,811 51.778,812 57.694,813 0.285,814 0.627,815 0.761,816 0.866,817 0.917,818 0.917,819 4.868,820 1.334,821 5.659,822 3.733,823 4.344,824 4.828,825 3.148,826 6.361,827 4.319,828 6.037,829 1,830 7.162,831 3.08,832 3.892,833 4.494,834 2.848,835 7.05,836 3.857,837 7.301,838 1,839 8.757,840 2.381,841 5.844,842 6.817,843 4.376,844 10.054,845 5.794,846 8.589,847 0.954,848 10.404,849 2.275,850 6.133,851 7.166,852 4.682,853 11.512,854 6.077,855 9.901,856 0.339,857 12.085,858 2.136,859 7.584,860 9.041,861 5.802,862 14.035,863 7.513,864 11.228,865 0.069,866 13.788,867 0.728,868 8.223,869 9.701,870 6.376,871 15.841,872 8.144,873 12.567,874 -0.157,875 15.507,876 0.156,877 9.454,878 11.378,879 7.335,880 18.17,881 9.362,882 2.912,883 -0.666,884 17.24,885 -0.389,886 10.276,887 12.216,888 8.042,889 20.153,890 10.174,891 2.717,892 9.002,893 18.982,894 -1.606,895 11.403,896 13.778,897 8.933,898 22.397,899 11.289,900 2.496,901 8.046,902 20.733,903 3.624,904 12.325,905 14.734,906 9.71,907 24.473,908 12.199,909 2.406,910 6.918,911 22.491,912 3.474,913 13.403,914 16.217,915 10.574,916 26.68,917 13.265,918 2.171,919 6.711,920 24.254,921 3.17,922 14.38,923 17.259,924 11.389,925 28.806,926 14.229,927 2.029,928 5.653,929 26.022,930 2.953,931 15.437,932 18.686,933 12.245,934 30.998,935 15.273,936 1.53,937 5.173,938 27.795,939 2.685,940 16.445,941 19.79,942 13.079,943 33.151,944 16.268,945 9250,946 17061,947 18.493,948 32.904,949 42.69,950 43.938,951 43.502,952 41.936,953 41.916,954 53.575,955 13.803,956 111.982,957 41.376,958 5.053,959 5.811,960 5.939,961 4.919,962 4.912,963 6.624,964 3.99,965 15.379,966 4.87,967 16.846,968 1.472,969 1.515,970 1.5,971 1.446,972 1.445,973 1.847,974 0.476,975 3.861,976 1.427,977 3.97,978 4.004,979 3.899,980 3.889,981 7.475,982 3.886,983 3.909,984 3.937,985 3.839,986 3.847,987 7.432,988 3.841,989 3.728,990 3.769,991 3.66,992 3.53,993 7.423,994 3.556,995 3.602,996 3.644,997 3.523,998 3.376,999 6.471,1000 3.402,1001 3.43,1002 3.469,1003 3.339,1004 3.223,1005 6.351,1006 3.242,1007 3.068,1008 3.094,1009 2.989,1010 2.854,1011 4.987,1012 2.869,1013 3.036,1014 3.076,1015 2.916,1016 2.789,1017 4.751,1018 2.826,1019 2.854,1020 2.956,1021 2.687,1022 2.735,1023 4.601,1024 2.715,1025 0.141,1026 0.131,1027 0.212,1028 0.134,1029 0.1,1030 4.103,1031 0.125,1032 3.811,1033 0.082,1034 6.137,1035 0.31,1036 3.9,1037 0.099,1038 2.912,1039 3.624,1040 2.376,1041 9.002,1042 2.87,1043 1.93,1044 1.901,1045 2.058,1046 2.038,1047 1.248,1048 2.043,1049 1.913,1050 1.887,1051 2.034,1052 2.002,1053 1.208,1054 2.015,1055 1.643,1056 1.601,1057 1.796,1058 1.868,1059 0.926,1060 1.848,1061 1.509,1062 1.465,1063 1.698,1064 1.768,1065 0.84,1066 1.744,1067 1.362,1068 1.32,1069 1.592,1070 1.602,1071 0.771,1072 1.596,1073 0.987,1074 0.943,1075 1.225,1076 1.256,1077 0.31,1078 1.235,1079 0.916,1080 0.891,1081 1.181,1082 1.234,1083 0.218,1084 1.198,1085 0.886,1086 0.821,1087 1.181,1088 1.154,1089 0.218,1090 1.13,1091 4.078,1092 5.352,1094 6.795,1096 8.309,1098 9.86,1101 5.951,1102 18.061,1103 -0.121,1105 4.883,1108 -1.866,1111 31.906,1112 82.449,1113 181.48,1114 220.009,1115 250.539,1116 265.294,1117 265.294,1118 96.802,1119 6.562,1120 141.75,1121 141.75,1122 12,1123 12.051,1124 4,1125 3.322,1126 61.568,1127 109,1128 126,1129 0.26,1130 201.848,1131 361.23,1132 484.269,1133 5327,1135 20.518,1136 0.733,1137 0.542,1138 20.518,1139 15.169,1140 13.346,1141 0.46,1142 0.301,1143 8.6,1144 12.832,1145 8.448,1146 7.002,1147 13.346,1148 8.722,1149 12,1150 0.316,1151 0.167,1152 12,1153 6.34,1154 8.851,1155 0.206,1156 0.094,1157 8.851,1158 4.058,1159 6.277,1160 0.128,1161 0.053,1162 6.277,1163 2.602,1164 5.395,1165 0.088,1166 0.029,1167 5.395,1168 1.775,1169 0.409,1170 84.115,1171 0.233,1172 26.979,1173 0.713,1174 134,1175 463.484,1176 149.762,1177 443.05,1178 566.35,1179 406,1180 148,1181 380.265,1182 161.578,1183 383.084,1184 544.44,1185 359,1186 5} {0 CHEMBL277080,1 1.655,2 11.069,3 3,4 8.998,5 110.78,6 7.859,7 0.4,8 4.042,9 4.146,10 3.626,11 3.577,12 5.23,13 3.546,14 4.545,15 4.688,16 3.921,17 3.922,18 5.817,19 3.855,20 4.841,21 5.045,22 3.961,23 4.033,24 5.963,25 3.944,26 4.911,27 5.122,28 3.993,29 3.966,30 6.096,31 3.908,32 4.86,33 5.047,34 4.155,35 3.929,36 6.381,37 3.904,38 4.829,39 5.015,40 4.053,41 3.942,42 6.151,43 3.912,44 4.876,45 5.069,46 4.017,47 3.975,48 6.143,49 3.934,50 4.834,51 5.016,52 4.026,53 4.026,54 6.231,55 3.943,56 0.098,57 0.72,58 11.142,59 5.194,60 18.387,61 6.147,62 0.496,63 1.12,64 20.462,65 8.391,66 66.509,67 10.481,68 0.564,69 1.407,70 30.228,71 10.808,72 84.52,73 13.889,74 0.694,75 1.416,76 34.28,77 10.354,78 114.739,79 12.957,80 1.056,81 1.328,82 33.823,83 9.935,84 184.81,85 12.073,86 0.695,87 1.331,88 30.8,89 9.469,90 111.95,91 11.461,92 0.735,93 1.358,94 32.792,95 9.989,96 119.361,97 11.991,98 0.85,99 1.32,100 32.129,101 11.294,102 134.784,103 13.536,104 34,105 38,106 0.277,107 0.603,108 0.741,109 0.815,110 0.857,111 0.876,112 3.408,113 0.978,114 -3.25,115 -3.24,116 -3.1,117 39.6,119 2,122 2,123 2,125 10,126 2,129 2,130 1,134 1,135 1,136 13,138 1,139 1,141 4,142 2,143 1,144 14,145 1,148 4,150 2,151 2,152 3,155 8,160 7,161 1,164 4,167 1,172 3,173 7,176 3,178 7,179 1,181 1,182 1,185 9,188 1,189 1,190 6,193 2,194 1,197 10,198 2,201 4,204 5,205 2,207 2,208 6,210 2,212 4,214 8,215 2,219 4,224 4,226 11,227 2,229 1721,230 19.405,231 19.405,232 19.405,233 19.405,234 19.405,235 17.436,236 16.85,237 12.073,238 19.663,239 14.794,240 14.794,241 14.794,242 14.794,243 14.794,244 11.876,245 15.778,246 5.703,247 15.171,248 4.073,249 2.121,250 1.297,251 0.859,252 0.604,253 0.491,254 4.074,257 1,258 1,259 652,260 4.796,262 243.315,265 1.589,266 42.02,268 1,269 0.83,270 0.83,271 1,272 1,273 0.67,274 0.5,275 0.83,276 64,277 321,278 4.09,279 3.837,280 6.15,281 3.896,282 2.914,283 3.475,284 2.376,285 9.059,286 2.854,287 3.908,288 3.705,289 5.858,290 3.649,291 2.667,292 3.447,293 2.206,294 8.034,295 2.61,296 3.89,297 3.569,298 5.361,299 3.525,300 2.542,301 3.183,302 1.951,303 7.022,304 2.499,305 3.749,306 3.282,307 5.288,308 3.389,309 2.393,310 2.951,311 0.815,312 6.741,313 2.377,314 3.524,315 2.764,316 4.96,317 3.13,318 2.154,319 2.698,320 0.345,321 5.793,322 2.064,323 2.933,324 2.728,325 4.113,326 2.527,327 1.534,328 2.09,329 0.14,330 3.595,331 1.518,332 2.912,333 2.114,334 3.71,335 2.478,336 1.483,337 2.076,339 3.129,340 1.473,341 2.659,342 1.977,343 3.628,344 2.384,345 1.413,346 1.615,348 3.002,349 1.348,350 2.5,351 1.744,352 3.534,353 2.113,354 1.154,355 1.5,356 2.645,357 1.093,358 2.5,359 1.491,360 3.247,361 2,362 1,363 1.5,364 2.136,365 1,366 2.385,367 1.258,368 3.247,369 2,370 1,371 1.309,372 2.136,373 1,374 1.879,375 1,376 3.059,377 1.609,378 0.681,379 0.76,380 1.336,381 0.609,382 1.775,383 1,384 2.904,385 1.459,386 0.53,387 0.618,388 1.135,389 0.483,390 1.137,391 0.597,392 2.592,393 0.868,394 -0.121,395 -0.142,396 -0.309,397 -0.118,398 0.809,399 0.479,400 2.255,401 0.528,402 -0.395,403 -0.425,405 -0.711,406 -0.35,407 13.8,408 0.476,409 0.596,410 0.021,411 34,412 1.172,413 16.5,414 0.569,415 17.5,416 0.603,417 25.811,418 0.89,419 32.4,420 0.611,421 27.996,422 0.965,423 6.871,424 0.237,425 7.119,426 0.245,427 0.157,429 0.254,430 0.781,431 1.208,432 0.866,433 1.068,434 0.661,435 0.978,436 0.528,437 1.209,438 0.966,439 1.15,440 0.489,441 1.162,442 0.839,443 1.069,444 0.945,445 1.035,446 0.895,447 1.078,448 1.432,449 1.026,450 0.968,451 0.894,452 1.374,453 0.927,454 1.162,455 1.014,456 0.846,457 0.899,458 1.08,459 0.837,460 1.433,461 1.052,462 0.96,463 0.92,464 1.452,465 0.924,466 1.626,467 0.89,468 1.014,469 0.821,470 1.587,471 0.871,472 0.965,473 0.967,474 1.043,475 1.028,476 0.915,477 1.01,478 5.5,479 0.153,480 2.444,481 1.375,482 1.582,483 0.764,484 0.552,485 0.552,486 0.309,487 0.206,488 9998,489 32329,490 1.957,491 45.3,493 16,494 4,496 2,497 2,498 1.726,499 1.832,500 3.426,501 1.663,502 1,503 1,506 87.692,507 1.655,508 3.607,509 4.431,510 4.869,511 5.124,512 5.237,513 2.823,514 4.444,515 4.827,516 3.609,517 1465.3,518 8.447,519 20864.3,521 1,522 1,523 303.58,524 1.384,525 4.785,526 0.183,527 0.006,528 0.064,529 0.036,530 0.043,531 0.018,532 0.014,533 0.014,534 0.008,535 0.006,536 0.392,537 0.33,538 0.88,539 1.541,540 148.368,541 -0.086,542 -0.035,543 -0.056,544 -0.024,545 -0.072,546 0.01,547 0.264,548 -0.107,549 -0.117,550 -0.154,551 0.148,552 -0.185,553 0.031,554 -0.054,555 -0.07,556 -0.111,557 -0.063,558 -0.109,559 -0.214,560 -0.055,561 -0.034,562 -0.015,563 -0.191,564 -0.006,565 0.217,566 -0.033,567 0.157,568 0.019,569 0.284,570 0.074,571 -0.153,572 -0.037,573 -0.031,574 -0.033,575 -0.122,576 -0.02,577 -0.29,578 0.088,579 -0.076,580 0.067,581 -0.229,582 0.038,583 0.154,584 0.005,585 -0.041,586 -0.019,587 0.173,588 -0.034,589 2.822,590 5.677,591 0.414,592 29.712,593 1.012,594 1.123,595 2.017,596 4.07,597 0.666,598 3.434,599 3.664,600 3.807,601 3.951,602 4.111,603 3.951,604 4.007,605 4.094,606 4.06,607 3.97,608 6.883,609 0.634,610 416.54,611 3.434,612 4.92,613 5.707,614 6.529,615 7.338,616 8.163,617 8.979,618 9.806,619 10.627,620 11.455,621 3.8,625 2,628 10,630 2,631 12,637 53,638 15,639 2,640 30,641 54,642 21,643 12,644 2,645 10,647 2,648 2,650 1,652 4,653 15,654 6,656 3,658 3,659 3,661 1,662 24,663 7,664 3,665 8,666 1,667 2,668 1,669 5,674 2,678 1,679 1,683 1,684 1,685 2,687 1,690 1,691 29,694 1,695 4,696 1,697 2,698 1,700 2,704 9.4,706 1,707 3,708 1,709 15.833,710 8.817,711 6.722,712 2.914,713 1.641,714 1.249,715 0.903,716 9.711,717 8.222,718 3.689,719 4.127,720 4.472,721 4.846,722 5.285,723 4.958,724 5.121,725 5.383,726 5.546,727 5.461,728 1,729 38,730 10.819,731 4.546,732 8.111,733 19.841,734 15.453,735 2.611,736 75.722,738 1,739 246.24,740 162.635,741 36.022,743 129.118,744 38.564,745 124.072,746 375.358,747 36.022,749 46.583,750 94.762,751 134.551,752 17.371,753 6.763,754 273.986,756 246.24,757 160.093,758 129.118,759 38.564,760 199.156,761 176.202,763 46.583,764 113.511,766 38.564,767 246.24,768 165.14,769 162.635,771 246.24,772 29.309,773 94.762,774 36.022,775 167.682,776 246.24,777 165.14,778 162.635,779 0.557,780 0.309,781 0.16,782 0.092,783 13,784 7,785 0.204,786 11,788 1,789 4.029,790 227.813,792 12,793 132.881,794 1,797 22.946,798 12.273,799 8.278,801 165.14,802 18.26,804 1.628,805 78.705,806 574.015,807 39,809 36.229,810 -2.511,811 53.636,812 59.531,813 0.289,814 0.63,815 0.774,816 0.85,817 0.895,818 0.914,819 4.875,820 1.413,821 5.645,822 3.129,823 4.344,824 4.812,825 3.273,826 6.337,827 4.298,828 6.017,829 1.154,830 7.133,831 3.002,832 3.761,833 4.331,834 2.906,835 7.008,836 3.719,837 7.265,838 1,839 8.72,840 2.645,841 5.82,842 6.754,843 4.546,844 10.039,845 5.733,846 8.538,847 1,848 10.366,849 2.136,850 6.043,851 6.989,852 4.801,853 11.527,854 5.955,855 9.839,856 0.681,857 12.049,858 2.136,859 7.553,860 8.94,861 6.015,862 14.042,863 7.429,864 11.158,865 0.53,866 13.758,867 1.336,868 8.161,869 9.5,870 6.545,871 15.88,872 8.028,873 12.489,874 -0.121,875 15.484,876 1.135,877 9.422,878 11.238,879 7.573,880 18.197,881 9.26,882 2.914,883 -0.395,884 17.223,885 -0.309,886 10.23,887 11.979,888 8.243,889 20.204,890 10.054,891 2.667,892 9.059,893 18.972,894 -0.711,895 11.37,896 13.592,897 9.18,898 22.441,899 11.17,900 2.542,901 8.034,902 20.729,903 3.475,904 12.285,905 14.452,906 9.927,907 24.534,908 12.067,909 2.393,910 7.022,911 22.492,912 3.447,913 13.369,914 15.978,915 10.818,916 26.739,917 13.129,918 2.154,919 6.741,920 24.26,921 3.183,922 14.343,923 16.924,924 11.609,925 28.877,926 14.082,927 1.534,928 5.793,929 26.033,930 2.951,931 15.403,932 18.385,933 12.478,934 31.071,935 15.121,936 1.483,937 3.595,938 27.81,939 2.698,940 16.409,941 19.398,942 13.293,943 33.234,944 16.106,945 10102,946 18285,947 19.474,948 35.307,949 43.607,950 46.219,951 44.37,952 42.924,953 42.93,954 54.441,955 15.665,956 111.524,957 41.858,958 5.047,959 5.837,960 5.952,961 4.972,962 4.914,963 6.475,964 4.124,965 15.459,966 4.854,967 15.61,968 1.454,969 1.541,970 1.479,971 1.431,972 1.431,973 1.815,974 0.522,975 3.717,976 1.395,977 3.958,978 3.991,979 3.89,980 3.88,981 7.474,982 3.874,983 3.898,984 3.928,985 3.824,986 3.838,987 7.437,988 3.83,989 3.771,990 3.809,991 3.775,992 3.61,993 7.425,994 3.61,995 3.604,996 3.641,997 3.611,998 3.421,999 6.351,1000 3.425,1001 3.358,1002 3.375,1003 3.455,1004 3.117,1005 4.782,1006 3.136,1007 3.242,1008 3.268,1009 3.27,1010 3.072,1011 4.745,1012 3.035,1013 3.049,1014 3.08,1015 2.949,1016 2.844,1017 4.383,1018 2.854,1019 3.022,1020 3.076,1021 2.89,1022 2.758,1023 4.319,1024 2.813,1025 0.136,1026 0.128,1027 0.205,1028 0.13,1029 0.097,1030 4.09,1031 0.116,1032 3.837,1033 0.079,1034 6.15,1035 0.302,1036 3.896,1037 0.095,1038 2.914,1039 3.475,1040 2.376,1041 9.059,1042 2.854,1043 1.926,1044 1.896,1045 2.056,1046 2.028,1047 1.245,1048 2.036,1049 1.903,1050 1.875,1051 2.032,1052 1.99,1053 1.183,1054 2.005,1055 1.702,1056 1.661,1057 1.871,1058 1.903,1059 1.132,1060 1.898,1061 1.533,1062 1.49,1063 1.714,1064 1.755,1065 0.896,1066 1.742,1067 1.242,1068 1.213,1069 1.473,1070 1.52,1071 0.613,1072 1.498,1073 1.154,1074 1.12,1075 1.354,1076 1.411,1077 0.525,1078 1.416,1079 0.981,1080 0.933,1081 1.205,1082 1.246,1083 0.289,1084 1.229,1085 0.886,1086 0.871,1087 1.181,1088 1.22,1089 0.218,1090 1.183,1091 4.111,1092 5.361,1094 6.79,1096 8.295,1098 9.838,1102 9.256,1103 0.72,1104 4.022,1105 4.996,1106 5.188,1108 -2.067,1111 33.599,1112 87.692,1113 191.167,1114 234.851,1115 258.07,1116 271.58,1117 277.58,1118 94.603,1119 6.581,1120 104.73,1121 143.53,1122 12,1123 12.031,1124 4,1125 3.322,1126 64.997,1127 111,1128 130,1129 0.261,1130 215.777,1131 386.04,1132 518.256,1133 5432,1135 21.062,1136 0.726,1137 0.575,1138 21.562,1139 16.678,1140 13.99,1141 0.466,1142 0.326,1143 9.074,1144 13.148,1145 8.856,1146 7.342,1147 14.344,1148 9.777,1149 11.928,1150 0.314,1151 0.179,1152 12.178,1153 6.807,1154 8.94,1155 0.203,1156 0.1,1157 9.084,1158 4.395,1159 6.807,1160 0.133,1161 0.057,1162 6.992,1163 2.883,1164 5.545,1165 0.092,1166 0.031,1167 5.771,1168 1.835,1169 0.409,1170 91.512,1171 0.227,1172 27.76,1173 0.719,1174 136,1175 477.855,1176 162.31,1177 465.544,1178 595.86,1179 430,1180 150,1181 390.576,1182 169.667,1183 395.578,1184 566.98,1185 370,1186 7.745} {0 CHEMBL335151,1 1.499,2 10.885,3 3.23,4 10.433,5 107.961,6 7.126,7 0.444,8 3.993,9 4.119,10 3.507,11 3.581,12 5.05,13 3.509,14 4.516,15 4.694,16 3.762,17 3.931,18 5.536,19 3.818,20 4.826,21 5.067,22 3.781,23 4.028,24 5.791,25 3.886,26 4.828,27 5.073,28 3.747,29 3.954,30 5.838,31 3.826,32 4.79,33 5.029,34 3.845,35 3.933,36 5.969,37 3.831,38 4.813,39 5.044,40 3.884,41 3.941,42 5.979,43 3.854,44 4.797,45 5.025,46 3.795,47 3.971,48 5.899,49 3.85,50 4.782,51 5.023,52 3.696,53 4.012,54 5.748,55 3.836,56 0.045,57 0.71,58 12.089,59 5.235,60 7.832,61 6.897,62 0.198,63 1.132,64 21.541,65 8.674,66 25.779,67 11.667,68 0.344,69 1.422,70 31.014,71 11.13,72 52.076,73 15.048,74 0.341,75 1.391,76 31.917,77 10.445,78 57.955,79 14.195,80 0.412,81 1.333,82 29.601,83 10.089,84 80.798,85 13.707,86 0.381,87 1.355,88 30.816,89 9.785,90 75.747,91 13.061,92 0.376,93 1.342,94 30.744,95 10.195,96 70.196,97 13.501,98 0.246,99 1.331,100 31.208,101 11.777,102 52.398,103 15.269,104 15,105 33,106 0.253,107 0.542,108 0.688,109 0.788,110 0.818,111 0.844,112 3.303,113 1.064,114 -4.42,115 -4.35,116 -4.1,117 40.4,119 4,122 2,123 1,125 10,126 2,129 2,136 15,139 1,141 2,142 3,144 17,148 2,150 1,151 1,152 3,155 12,160 4,164 4,167 5,172 1,173 6,176 1,178 8,181 4,185 7,190 6,193 5,197 6,201 3,204 10,208 3,212 2,214 12,219 2,224 2,226 12,229 1292,230 17.75,231 17.75,232 17.75,233 17.75,234 17.75,235 15.963,236 15.322,237 11.335,238 17.875,239 13.343,240 13.343,241 13.343,242 13.343,243 13.343,244 10.7,245 12.687,246 5.434,247 13.515,248 4.201,249 2.487,250 1.62,251 1.029,252 0.846,253 0.692,254 3.972,256 1,257 1,258 1,259 579,260 4.243,262 213.02,265 1.595,266 25.064,267 1,268 1,269 0.83,270 0.83,271 1,272 1,273 1,274 1,275 0.95,276 55,277 283,278 4.056,279 3.768,280 6.086,281 3.852,282 2.862,283 3.473,284 1.97,285 8.868,286 2.824,287 3.906,288 3.534,289 5.361,290 3.547,291 2.544,292 3.447,293 1.891,294 7.022,295 2.549,296 3.802,297 3.289,298 5.295,299 3.417,300 2.417,301 3.107,302 0.313,303 6.782,304 2.413,305 3.551,306 2.733,307 4.969,308 3.214,309 2.196,310 2.729,311 0.062,312 5.848,313 2.222,314 2.941,315 2.696,316 4.124,317 2.667,318 1.705,319 2.096,321 3.801,322 1.633,323 2.912,324 2.015,325 3.628,326 2.488,327 1.489,328 2.076,330 3.13,331 1.487,332 2.678,333 1.627,334 3.591,335 2.468,336 1.474,337 1.681,339 3.034,340 1.459,341 2.5,342 1.61,343 3.445,344 2.123,345 1.155,346 1.5,348 2.564,349 1.106,350 2.5,351 1.491,352 3.247,353 2,354 1,355 1.5,356 2.136,357 1,358 2.382,359 1.007,360 3.247,361 2,362 1,363 1.308,364 2.136,365 1,366 1.781,367 1,368 3.039,369 1.578,370 0.613,371 0.67,372 1.29,373 0.579,374 1.726,375 1,376 2.706,377 1.473,378 0.504,379 0.579,380 0.917,381 0.479,382 1.137,383 0.537,384 2.539,385 0.872,386 -0.122,387 -0.143,388 -0.31,389 -0.12,390 0.793,391 0.403,392 2.06,393 0.515,394 -0.396,395 -0.425,396 -0.646,397 -0.351,398 0.766,399 0.053,400 1.744,401 0.427,402 -0.587,403 -0.73,405 -1.311,406 -0.59,407 12.8,408 0.492,409 0.4,410 0.015,411 30,412 1.154,413 15,414 0.577,415 15,416 0.577,417 23.211,418 0.893,419 28.6,420 0.55,421 21.148,422 0.813,423 5.71,424 0.22,425 6.976,426 0.268,427 0.117,429 0.195,430 0.696,431 1.187,432 0.929,433 1.058,434 0.568,435 1.021,436 0.586,437 1.247,438 1.025,439 1.178,440 0.591,441 1.187,442 1.064,443 0.987,444 0.957,445 0.954,446 1.086,447 1.01,448 1.487,449 1.053,450 0.982,451 0.948,452 1.468,453 0.974,454 1.199,455 1.047,456 0.783,457 0.873,458 1.159,459 0.888,460 1.827,461 0.975,462 0.848,463 0.817,464 1.732,465 0.864,466 1.787,467 0.94,468 1.015,469 0.884,470 1.783,471 0.959,472 1.044,473 0.996,474 1.081,475 1.057,476 1.1,477 1.06,478 4,479 0.062,480 1.778,481 1,482 1.102,483 0.653,484 0.389,485 0.302,486 0.214,487 0.121,488 7823,489 20471,490 1.996,491 50,492 2,493 15,494 3,495 2,496 2,497 2,498 1.695,499 1.902,500 3.425,501 0.898,502 1,503 1,506 77.973,507 1.499,508 3.214,509 4.08,510 4.671,511 4.854,512 5.008,513 2.869,514 3.686,515 4.668,516 3.588,517 1166.13,518 8.116,519 15476.3,521 1,522 1,523 296.423,524 1.184,525 4.648,526 0.148,527 0.003,528 0.054,529 0.031,530 0.037,531 0.019,532 0.011,533 0.01,534 0.008,535 0.005,536 0.326,537 0.17,538 1,539 1.444,540 129.098,541 -0.046,542 -0.02,543 -0.043,544 -0.019,545 -0.03,546 0.01,547 0.145,548 -0.156,549 -0.137,550 -0.19,551 0.029,552 -0.184,553 -0.001,554 0.01,555 -0.067,556 -0.045,557 -0.088,558 -0.055,559 -0.136,560 -0.071,561 -0.064,562 -0.057,563 -0.138,564 -0.044,565 0.183,566 -0.071,567 0.089,568 -0.006,569 0.214,570 0.04,571 -0.145,572 0.017,573 0.044,574 0.032,575 -0.041,576 0.038,577 -0.228,578 0.048,579 -0.084,580 0.018,581 -0.165,582 -0.032,583 -0.09,584 -0.034,585 -0.089,586 -0.05,587 -0.071,588 -0.065,589 1.902,590 5.481,591 0.462,592 26.722,593 0.991,594 1.121,595 3.194,596 10.2,597 0.667,598 3.332,599 3.526,600 3.664,601 3.807,602 3.97,603 3.829,604 3.85,605 3.892,606 3.892,607 3.761,608 6.68,609 0.615,610 370.56,611 3.332,612 4.796,613 5.572,614 6.378,615 7.175,616 7.989,617 8.796,618 9.613,619 10.424,620 11.244,621 3.8,625 2,628 10,630 2,631 12,637 52,638 14,639 2,640 27,641 53,642 21,643 12,644 2,645 10,647 2,648 2,650 1,652 5,653 14,654 7,656 2,658 2,659 2,661 1,662 26,663 4,664 2,665 5,666 1,667 2,668 1,669 2,674 2,678 2,685 2,687 1,690 1,691 26,695 6,696 1,697 2,700 1,704 3.8,707 2,709 13.667,710 8.7,711 6.111,712 3.114,713 1.701,714 1.265,715 0.936,716 9.12,717 8.109,718 3.584,719 4.007,720 4.376,721 4.764,722 5.212,723 4.901,724 5.047,725 5.269,726 5.446,727 5.293,728 1,729 32,730 9.671,731 3.933,732 7.778,733 18.512,734 14.55,735 2.278,736 59.222,738 1,739 281.554,740 162.25,741 36.022,743 50.29,744 38.564,745 123.686,746 331.844,747 36.022,749 49.165,750 94.762,751 70.518,752 6.371,754 309.299,756 281.554,757 159.708,758 50.29,759 38.564,760 234.469,761 97.374,763 49.165,764 110.543,766 38.564,767 281.554,768 86.311,769 162.25,771 281.554,772 28.924,773 94.762,774 36.022,775 88.853,776 281.554,777 86.311,778 162.25,779 0.545,780 0.297,781 0.154,782 0.088,783 11,784 5,785 0.189,786 10,788 1,789 3.893,790 191.125,792 12,793 114.211,794 1,797 20.378,798 11.636,799 7.885,801 86.311,802 19.593,804 2.13,805 36.022,806 530.115,807 35,809 24.829,810 -0.261,811 51.538,812 58.318,813 0.263,814 0.564,815 0.716,816 0.819,817 0.852,818 0.879,819 4.745,820 1.155,821 5.476,822 3.034,823 4.205,824 4.691,825 2.613,826 6.125,827 4.186,828 5.865,829 1,830 6.929,831 2.564,832 3.434,833 4.06,834 2.179,835 6.676,836 3.446,837 7.094,838 1,839 8.48,840 2.136,841 5.631,842 6.633,843 3.635,844 9.739,845 5.6,846 8.353,847 0.613,848 10.094,849 2.136,850 5.707,851 6.762,852 3.744,853 11.165,854 5.7,855 9.642,856 0.504,857 11.749,858 1.29,859 7.31,860 8.825,861 4.813,862 13.686,863 7.267,864 10.951,865 -0.122,866 13.433,867 0.917,868 7.816,869 9.314,870 5.177,871 15.492,872 7.784,873 12.275,874 -0.396,875 15.138,876 -0.31,877 9.13,878 11.133,879 6.06,880 17.806,881 9.072,882 2.862,883 -0.587,884 16.859,885 -0.646,886 9.871,887 11.827,888 6.558,889 19.797,890 9.812,891 2.544,892 8.868,893 18.592,894 -1.311,895 11.04,896 13.497,897 7.342,898 22.027,899 10.96,900 2.417,901 7.022,902 20.334,903 3.473,904 11.911,905 14.327,906 7.913,907 24.112,908 11.824,909 2.196,910 6.782,911 22.084,912 3.447,913 13.007,914 15.893,915 8.644,916 26.308,917 12.902,918 1.705,919 5.848,920 23.841,921 3.107,922 13.952,923 16.82,924 9.256,925 28.439,926 13.835,927 1.489,928 3.801,929 25.604,930 2.729,931 15.013,932 18.31,933 9.957,934 30.624,935 14.88,936 1.474,937 3.13,938 27.372,939 2.096,940 15.999,941 19.311,942 10.592,943 32.779,944 15.851,945 7865,946 12798,947 17.97,948 34.705,949 38.36,950 40.994,951 38.997,952 37.919,953 37.92,954 48.336,955 8.474,956 95.052,957 37.502,958 5.006,959 5.768,960 5.996,961 4.867,962 4.862,963 6.473,964 3.449,965 15.004,966 4.824,967 11.285,968 1.421,969 1.518,970 1.444,971 1.404,972 1.404,973 1.79,974 0.314,975 3.52,976 1.389,977 3.964,978 4,979 3.89,980 3.89,981 7.433,982 3.883,983 3.904,984 3.936,985 3.827,986 3.848,987 7.424,988 3.839,989 3.73,990 3.781,991 3.744,992 3.566,993 4.763,994 3.564,995 3.601,996 3.658,997 3.617,998 3.459,999 4.739,1000 3.437,1001 3.436,1002 3.483,1003 3.408,1004 3.301,1005 4.343,1006 3.288,1007 3.123,1008 3.195,1009 3.129,1010 2.96,1011 4.135,1012 2.919,1013 3.023,1014 3.079,1015 2.9,1016 2.843,1017 3.961,1018 2.85,1019 2.854,1020 2.925,1021 2.838,1022 2.735,1023 3.849,1024 2.715,1025 0.15,1026 0.14,1027 0.225,1028 0.143,1029 0.106,1030 4.056,1031 0.129,1032 3.768,1033 0.073,1034 6.086,1035 0.328,1036 3.852,1037 0.105,1038 2.862,1039 3.473,1040 1.97,1041 8.868,1042 2.824,1043 1.932,1044 1.902,1045 2.065,1046 2.035,1047 1.259,1048 2.045,1049 1.917,1050 1.888,1051 2.05,1052 1.999,1053 1.223,1054 2.018,1055 1.676,1056 1.623,1057 1.882,1058 1.878,1059 1.179,1060 1.885,1061 1.574,1062 1.522,1063 1.776,1064 1.769,1065 0.927,1066 1.78,1067 1.424,1068 1.375,1069 1.656,1070 1.601,1071 0.864,1072 1.625,1073 1.076,1074 1.01,1075 1.334,1076 1.329,1077 0.533,1078 1.358,1079 0.98,1080 0.929,1081 1.222,1082 1.22,1083 0.333,1084 1.227,1085 0.886,1086 0.821,1087 1.181,1088 1.062,1089 0.229,1090 1.107,1091 4.007,1092 5.231,1094 6.637,1096 8.123,1098 9.65,1103 3.575,1104 4.152,1105 5.773,1108 -0.569,1111 31.981,1112 77.973,1113 167.124,1114 212.184,1115 242.913,1116 252.423,1117 260.423,1118 66.92,1119 6.409,1120 58.2,1121 97,1122 12,1123 11.827,1124 3.907,1125 3.17,1126 54.677,1127 97,1128 112,1129 0.253,1130 206.716,1131 362.31,1132 496.146,1133 4498,1135 18.615,1136 0.716,1137 0.606,1138 19.115,1139 15.752,1140 12.686,1141 0.47,1142 0.355,1143 8.935,1144 12.1,1145 8.685,1146 7.225,1147 13.039,1148 9.578,1149 10.395,1150 0.315,1151 0.2,1152 10.645,1153 6.611,1154 7.926,1155 0.209,1156 0.115,1157 8.103,1158 4.368,1159 5.995,1160 0.136,1161 0.064,1162 6.12,1163 2.8,1164 4.795,1165 0.092,1166 0.035,1167 4.867,1168 1.841,1169 0.399,1170 81.668,1171 0.236,1172 25.548,1173 0.688,1174 120,1175 332.234,1176 137.674,1177 339.301,1178 442.56,1179 316,1180 131,1181 292.173,1182 143.412,1183 300.981,1184 427.42,1185 284,1186 5.796} {0 CHEMBL337343,1 1.556,2 11.677,3 2.459,4 6.049,5 112.12,6 7.483,7 0.375,8 4.111,9 4.22,10 3.636,11 3.622,12 5.326,13 3.608,14 4.617,15 4.769,16 3.953,17 3.983,18 5.922,19 3.929,20 4.958,21 5.169,22 3.977,23 4.108,24 6.105,25 4.027,26 5,27 5.219,28 3.964,29 4.068,30 6.156,31 4.002,32 4.989,33 5.197,34 4.135,35 4.052,36 6.425,37 4.02,38 5.008,39 5.205,40 4.145,41 4.058,42 6.503,43 4.038,44 4.996,45 5.196,46 4.051,47 4.086,48 6.362,49 4.043,50 4.968,51 5.171,52 4.049,53 4.129,54 6.304,55 4.055,56 0.125,57 0.765,58 11.369,59 5.363,60 25.579,61 6.629,62 0.426,63 1.202,64 20.359,65 8.719,66 83.517,67 11.576,68 0.739,69 1.516,70 32.606,71 11.11,72 125.231,73 15.12,74 0.742,75 1.514,76 35.033,77 10.914,78 146.053,79 14.88,80 0.982,81 1.486,82 34.579,83 10.701,84 191.453,85 14.769,86 1.164,87 1.506,88 35.394,89 10.253,90 212.333,91 13.863,92 0.967,93 1.481,94 34.899,95 10.826,96 191.086,97 14.218,98 0.768,99 1.477,100 32.801,101 11.962,102 147.33,103 15.974,104 46,105 41,106 0.256,107 0.551,108 0.674,109 0.798,110 0.837,111 0.86,112 3.471,113 0.935,114 -3.26,115 -3.25,116 -3.12,117 40.4,119 5,123 2,125 10,126 2,129 4,134 2,135 2,136 16,137 1,139 2,141 4,142 4,143 1,144 17,145 2,148 4,150 2,151 2,152 6,155 12,156 1,160 5,161 1,164 5,165 1,167 5,169 1,172 2,173 7,174 2,176 3,177 1,178 8,179 3,181 4,182 1,184 1,185 8,186 1,188 3,189 2,190 8,193 6,194 1,196 1,197 7,198 1,199 1,201 4,202 1,204 11,205 4,207 1,208 8,210 2,211 1,212 6,214 15,215 4,219 6,220 1,224 6,226 15,227 5,229 2077,230 20.397,231 20.397,232 20.397,233 20.397,234 20.397,235 18.22,236 18.542,237 12.576,238 20.462,239 15.811,240 15.811,241 15.811,242 15.811,243 15.811,244 12.573,245 15.104,246 6.051,247 15.893,248 4.277,249 2.482,250 1.732,251 0.974,252 0.737,253 0.596,254 4.137,257 1,258 1,259 733,260 5.099,262 264.116,265 1.709,266 51.41,268 1,269 0.83,270 0.83,271 1,272 1,273 0.83,274 0.5,275 0.86,276 69,277 362,278 4.091,279 3.831,280 6.15,281 3.901,282 2.916,283 3.475,284 2.376,285 9.061,286 2.863,287 3.909,288 3.688,289 5.861,290 3.663,291 2.675,292 3.447,293 2.341,294 8.048,295 2.631,296 3.895,297 3.591,298 5.361,299 3.545,300 2.542,301 3.185,302 1.969,303 7.022,304 2.547,305 3.753,306 3.525,307 5.288,308 3.396,309 2.395,310 2.958,311 1.891,312 6.742,313 2.391,314 3.538,315 2.734,316 4.96,317 3.2,318 2.186,319 2.709,320 0.351,321 5.796,322 2.203,323 3.51,324 2.696,325 4.645,326 3.159,327 2.14,328 2.676,329 0.144,330 5.118,331 2.147,332 2.932,333 2.16,334 4.111,335 2.529,336 1.53,337 2.09,339 3.591,340 1.523,341 2.912,342 1.986,343 3.647,344 2.484,345 1.483,346 2.076,348 3.129,349 1.484,350 2.593,351 1.61,352 3.628,353 2.28,354 1.289,355 1.533,356 2.954,357 1.259,358 2.5,359 1.491,360 3.509,361 2.035,362 1.028,363 1.5,364 2.477,365 1.023,366 2.5,367 1.104,368 3.247,369 2,370 1,371 1.5,372 2.136,373 1,374 2.336,375 1.007,376 3.247,377 2,378 1,379 1.211,380 2.136,381 1,382 1.777,383 1,384 3.046,385 1.56,386 0.552,387 0.634,388 1.273,389 0.553,390 1.566,391 1,392 2.817,393 1.33,394 0.323,395 0.366,396 0.728,397 0.319,398 1.137,399 0.564,400 2.581,401 0.872,402 -0.124,403 -0.145,405 -0.317,406 -0.122,407 14.3,408 0.461,409 0.74,410 0.024,411 36.5,412 1.177,413 18,414 0.581,415 18.5,416 0.597,417 27.202,418 0.877,419 34.9,420 0.612,421 32.355,422 1.044,423 7.638,424 0.246,425 7.208,426 0.233,427 0.14,429 0.28,430 0.758,431 1.19,432 0.826,433 1.068,434 0.669,435 0.974,436 0.414,437 1.33,438 0.894,439 1.273,440 0.441,441 1.21,442 0.92,443 1.014,444 1.076,445 1.028,446 0.971,447 1.076,448 1.192,449 1.043,450 1.094,451 0.979,452 1.177,453 0.999,454 0.907,455 1.085,456 0.847,457 0.968,458 0.935,459 0.905,460 1.135,461 0.979,462 1.004,463 0.897,464 1.125,465 0.903,466 1.281,467 0.893,468 1.094,469 0.877,470 1.262,471 0.921,472 0.784,473 1.03,474 0.933,475 1.083,476 0.841,477 1.055,478 6.5,479 0.202,480 2.667,481 1.375,482 1.662,483 0.986,484 0.633,485 0.615,486 0.309,487 0.306,488 11988,489 39050,490 1.942,491 45.6,492 2,493 12,494 4,495 4,496 4,498 1.744,499 1.806,500 3.496,501 1.6,502 1,503 1,506 88.712,507 1.556,508 3.351,509 4.101,510 4.859,511 5.096,512 5.236,513 2.922,514 4.438,515 4.923,516 3.694,517 1717.7,518 8.642,519 25718.5,521 1,522 1,523 332.475,524 1.438,525 4.874,526 0.203,527 0.006,528 0.065,529 0.034,530 0.043,531 0.021,532 0.014,533 0.014,534 0.007,535 0.008,536 0.416,537 0.17,538 0.88,539 1.673,540 162.292,541 -0.094,542 0.036,543 -0.018,544 0.07,545 -0.067,546 0.05,547 0.233,548 -0.181,549 -0.046,550 -0.187,551 0.168,552 -0.188,553 -0.041,554 0.023,555 -0.12,556 -0.047,557 -0.112,558 -0.097,559 -0.181,560 -0.046,561 -0.098,562 -0.029,563 -0.172,564 -0.038,565 0.171,566 -0.092,567 0.16,568 -0.019,569 0.156,570 0.049,571 0.087,572 0.04,573 0.022,574 0.024,575 0.104,576 0.015,577 -0.118,578 0.104,579 -0.083,580 0.075,581 -0.067,582 0.022,583 0.111,584 -0.042,585 0.022,586 -0.065,587 0.093,588 -0.049,589 2.997,590 5.78,591 0.387,592 34.323,593 1.014,594 1.127,595 2.035,596 4.14,597 0.647,598 3.497,599 3.738,600 3.85,601 3.989,602 4.174,603 4.06,604 4.078,605 4.159,606 4.127,607 4.111,608 7.244,609 0.625,610 426.51,611 3.497,612 4.99,613 5.771,614 6.594,615 7.398,616 8.223,617 9.037,618 9.864,619 10.683,620 11.512,621 3.5,625 2,628 10,630 2,631 12,637 57,638 16,639 2,640 32,641 58,642 23,643 12,644 2,645 10,647 2,648 2,652 7,653 16,654 7,656 4,658 4,659 4,661 1,662 26,663 8,664 4,665 8,667 2,668 1,669 6,674 2,678 2,679 2,684 2,685 2,691 31,694 2,695 5,697 2,700 2,704 10.5,706 2,707 4,709 17.167,710 9.567,711 7.056,712 3.281,713 1.614,714 1.241,715 0.892,716 9.883,717 8.301,718 3.761,719 4.205,720 4.505,721 4.869,722 5.315,723 5.039,724 5.173,725 5.41,726 5.569,727 5.535,728 0.875,729 40,730 11.626,731 4.988,732 8.247,733 21.126,734 16.689,735 2.747,736 85.167,738 1,739 258.964,740 125.035,741 36.022,743 185.946,745 125.035,746 444.911,747 36.022,749 48.694,750 94.762,751 197.175,752 6.371,754 258.964,756 258.964,757 161.057,758 185.946,760 211.88,761 233.031,763 48.694,764 112.363,767 258.964,768 221.968,769 125.035,771 258.964,772 30.273,773 94.762,774 36.022,775 185.946,776 258.964,777 221.968,778 125.035,779 0.564,780 0.299,781 0.149,782 0.089,783 14,784 8,785 0.207,786 12,788 1,789 4.182,790 249.69,792 12,793 145.58,797 24.258,798 12.63,799 9.118,801 221.968,802 18.469,804 1.782,805 121.388,806 605.967,807 42,809 47.425,810 -3.494,811 57.771,812 64.235,813 0.267,814 0.575,815 0.703,816 0.833,817 0.874,818 0.898,819 4.956,820 1.483,821 5.72,822 3.591,823 4.419,824 4.89,825 3.444,826 6.405,827 4.407,828 6.108,829 1.289,830 7.207,831 3.129,832 3.892,833 4.477,834 3.246,835 7.071,836 3.877,837 7.36,838 1.028,839 8.79,840 2.954,841 5.894,842 6.824,843 4.735,844 10.081,845 5.863,846 8.635,847 1,848 10.429,849 2.477,850 6.133,851 7.094,852 5.113,853 11.552,854 6.094,855 9.934,856 1,857 12.105,858 2.136,859 7.617,860 8.994,861 6.218,862 14.064,863 7.561,864 11.249,865 0.552,866 13.805,867 2.136,868 8.223,869 9.571,870 6.84,871 15.892,872 8.152,873 12.576,874 0.323,875 15.524,876 1.273,877 9.472,878 11.277,879 7.796,880 18.209,881 9.386,882 2.916,883 -0.124,884 17.257,885 0.728,886 10.274,887 12.026,888 8.534,889 20.212,890 10.168,891 2.675,892 9.061,893 19,894 -0.317,895 11.409,896 13.62,897 9.428,898 22.449,899 11.288,900 2.542,901 8.048,902 20.752,903 3.475,904 12.318,905 14.482,906 10.224,907 24.54,908 12.176,909 2.395,910 7.022,911 22.511,912 3.447,913 13.4,914 15.997,915 11.092,916 26.745,917 13.24,918 2.186,919 6.742,920 24.276,921 3.185,922 14.37,923 16.944,924 11.917,925 28.883,926 14.188,927 2.14,928 5.796,929 26.046,930 2.958,931 15.428,932 18.398,933 12.775,934 31.077,935 15.228,936 1.53,937 5.118,938 27.821,939 2.709,940 16.432,941 19.411,942 13.615,943 33.24,944 16.21,945 12122,946 22030,947 20.572,948 36.875,949 46.876,950 48.037,951 47.319,952 46.162,953 46.122,954 58.72,955 18.145,956 120.42,957 45.888,958 5.053,959 5.831,960 5.952,961 4.928,962 4.916,963 6.475,964 3.99,965 15.461,966 4.863,967 17.997,968 1.465,969 1.501,970 1.479,971 1.443,972 1.441,973 1.835,974 0.567,975 3.763,976 1.434,977 3.969,978 4.004,979 3.892,980 3.891,981 7.478,982 3.885,983 3.904,984 3.936,985 3.828,986 3.848,987 7.471,988 3.839,989 3.792,990 3.828,991 3.712,992 3.616,993 7.432,994 3.632,995 3.656,996 3.696,997 3.573,998 3.473,999 7.423,1000 3.488,1001 3.489,1002 3.519,1003 3.409,1004 3.305,1005 6.352,1006 3.31,1007 3.384,1008 3.399,1009 3.302,1010 3.127,1011 6.35,1012 3.17,1013 3.052,1014 3.08,1015 2.955,1016 2.85,1017 4.763,1018 2.855,1019 3.022,1020 3.076,1021 2.892,1022 2.783,1023 4.739,1024 2.819,1025 0.128,1026 0.12,1027 0.192,1028 0.122,1029 0.091,1030 4.091,1031 0.109,1032 3.831,1033 0.074,1034 6.15,1035 0.283,1036 3.901,1037 0.089,1038 2.916,1039 3.475,1040 2.376,1041 9.061,1042 2.863,1043 1.932,1044 1.902,1045 2.065,1046 2.037,1047 1.262,1048 2.045,1049 1.917,1050 1.888,1051 2.05,1052 2,1053 1.229,1054 2.019,1055 1.726,1056 1.685,1057 1.91,1058 1.927,1059 1.202,1060 1.921,1061 1.597,1062 1.554,1063 1.782,1064 1.804,1065 0.927,1066 1.796,1067 1.436,1068 1.391,1069 1.663,1070 1.65,1071 0.865,1072 1.644,1073 1.259,1074 1.24,1075 1.444,1076 1.548,1077 0.574,1078 1.516,1079 0.988,1080 0.937,1081 1.229,1082 1.25,1083 0.334,1084 1.23,1085 0.909,1086 0.884,1087 1.181,1088 1.22,1089 0.231,1090 1.187,1091 4.174,1092 5.434,1094 6.86,1096 8.357,1098 9.893,1102 18.095,1103 0.197,1105 5.039,1108 -2.347,1111 35.653,1112 88.712,1113 191.017,1114 233.746,1115 276.965,1116 290.475,1117 298.475,1118 122.855,1119 6.687,1120 132.8,1121 132.8,1122 12,1123 12.088,1124 4.087,1125 3.459,1126 72.395,1127 125,1128 146,1129 0.258,1130 224.9,1131 408.28,1132 540.515,1133 6232,1135 22.64,1136 0.73,1137 0.548,1138 22.64,1139 16.991,1140 14.846,1141 0.464,1142 0.312,1143 9.848,1144 14.295,1145 9.682,1146 8.011,1147 14.846,1148 9.97,1149 13.11,1150 0.32,1151 0.174,1152 13.11,1153 7.127,1154 9.395,1155 0.204,1156 0.102,1157 9.395,1158 4.679,1159 6.983,1160 0.132,1161 0.057,1162 6.983,1163 3.026,1164 5.783,1165 0.09,1166 0.031,1167 5.783,1168 2.012,1169 0.405,1170 93.358,1171 0.22,1172 29.371,1173 0.707,1174 146,1175 517.907,1176 163.393,1177 490.906,1178 623.14,1179 450,1180 160,1181 412.55,1182 173.991,1183 413.249,1184 586.17,1185 388,1186 5} {0 CHEMBL337783,1 1.618,2 10.607,3 2.866,4 8.213,5 109.001,6 7.703,7 0.414,8 4.013,9 4.123,10 3.58,11 3.58,12 5.183,13 3.534,14 4.515,15 4.667,16 3.876,17 3.933,18 5.728,19 3.852,20 4.845,21 5.057,22 3.962,23 4.052,24 5.976,25 3.949,26 4.885,27 5.102,28 3.976,29 4.006,30 6.082,31 3.913,32 4.846,33 5.061,34 4.032,35 3.971,36 6.256,37 3.899,38 4.855,39 5.068,40 3.991,41 3.985,42 6.092,43 3.916,44 4.861,45 5.066,46 3.951,47 4.029,48 6.087,49 3.94,50 4.816,51 5.015,52 4.024,53 4.051,54 6.168,55 3.941,56 0.065,57 0.708,58 11.143,59 5.123,60 16.485,61 6.253,62 0.279,63 1.121,64 19.892,65 8.392,66 55.778,67 10.753,68 0.539,69 1.444,70 30.701,71 10.682,72 87.842,73 14.027,74 0.541,75 1.429,76 34.511,77 11.01,78 112.993,79 13.757,80 0.704,81 1.376,82 32.087,83 10.539,84 158.923,85 13.68,86 0.579,87 1.416,88 31.981,89 9.981,90 101.15,91 12.867,92 0.546,93 1.392,94 33.784,95 11.12,96 108.481,97 13.355,98 0.508,99 1.338,100 30.348,101 11.505,102 120.612,103 14.335,104 33,105 37,106 0.272,107 0.572,108 0.685,109 0.791,110 0.828,111 0.854,112 3.374,113 0.997,114 -3.6,115 -3.57,116 -3.4,117 40.4,119 3,122 1,123 2,125 10,126 2,129 3,134 1,135 1,136 15,139 1,141 3,142 2,143 1,144 17,148 2,150 2,151 2,152 3,155 12,160 3,161 1,164 4,167 5,172 2,173 6,176 2,178 7,179 1,181 3,182 1,185 8,188 1,189 1,190 7,193 4,194 1,197 6,198 1,201 4,204 7,205 3,207 1,208 6,210 1,212 5,214 9,215 3,219 5,224 5,226 10,227 2,229 1554,230 18.698,231 18.698,232 18.698,233 18.698,234 18.698,235 16.728,236 14.936,237 11.463,238 18.791,239 14.256,240 14.256,241 14.256,242 14.256,243 14.256,244 11.338,245 11.355,246 5.4,247 14.403,248 4.082,249 2.292,250 1.62,251 0.991,252 0.769,253 0.615,254 4.039,257 1,258 1,259 604,260 4.69,262 233.03,265 1.592,266 38.559,268 1,269 0.83,270 0.83,271 1,272 1,273 1,274 1,275 0.95,276 61,277 297,278 4.089,279 3.862,280 6.147,281 3.896,282 2.912,283 3.475,284 2.376,285 9.047,286 2.857,287 3.908,288 3.708,289 5.848,290 3.641,291 2.659,292 3.447,293 1.969,294 7.967,295 2.598,296 3.887,297 3.526,298 5.361,299 3.544,300 2.542,301 3.181,302 1.891,303 7.022,304 2.545,305 3.747,306 3.237,307 5.287,308 3.392,309 2.393,310 2.948,311 0.351,312 6.737,313 2.386,314 3.524,315 2.733,316 4.96,317 3.179,318 2.153,319 2.697,320 0.144,321 5.791,322 2.192,323 2.933,324 2.696,325 4.111,326 2.529,327 1.531,328 2.09,330 3.59,331 1.523,332 2.912,333 2.026,334 3.631,335 2.484,336 1.483,337 2.076,339 3.129,340 1.484,341 2.592,342 1.842,343 3.625,344 2.273,345 1.3,346 1.536,348 2.935,349 1.243,350 2.5,351 1.61,352 3.489,353 2.006,354 1.03,355 1.5,356 2.305,357 1,358 2.5,359 1.491,360 3.247,361 2,362 1,363 1.5,364 2.136,365 1,366 2.328,367 1.007,368 3.247,369 2,370 1,371 1.204,372 2.136,373 0.983,374 1.777,375 1,376 3.039,377 1.556,378 0.549,379 0.632,380 1.258,381 0.549,382 1.345,383 1,384 2.705,385 1.058,386 0.191,387 0.208,388 0.293,389 0.159,390 1.137,391 0.557,392 2.538,393 0.869,394 -0.125,395 -0.147,396 -0.319,397 -0.124,398 0.793,399 0.427,400 2.055,401 0.428,402 -0.581,403 -0.701,405 -1.309,406 -0.579,407 13.467,408 0.481,409 0.596,410 0.021,411 33,412 1.179,413 16.5,414 0.589,415 16.5,416 0.589,417 25.1,418 0.896,419 30.933,420 0.595,421 26.18,422 0.935,423 6.534,424 0.233,425 6.956,426 0.248,427 0.161,429 0.26,430 0.738,431 1.153,432 0.883,433 1.023,434 0.645,435 0.966,436 0.469,437 1.29,438 0.96,439 1.196,440 0.505,441 1.186,442 0.921,443 1.004,444 0.934,445 0.959,446 0.987,447 1.041,448 1.317,449 1.032,450 0.982,451 0.973,452 1.293,453 0.984,454 0.875,455 1.078,456 0.771,457 0.922,458 0.868,459 0.901,460 1.304,461 0.987,462 0.925,463 0.86,464 1.289,465 0.9,466 1.494,467 0.885,468 1.129,469 0.913,470 1.486,471 0.923,472 0.844,473 1.013,474 0.848,475 1.012,476 0.864,477 1.03,478 5.5,479 0.144,480 2.444,481 1.375,482 1.422,483 0.708,484 0.552,485 0.552,486 0.284,487 0.206,488 9125,489 28504,490 1.956,491 46.2,492 2,493 14,494 4,495 2,496 2,498 1.717,499 1.826,500 3.374,501 1.662,502 1,503 1,506 84.145,507 1.618,508 3.409,509 4.08,510 4.71,511 4.931,512 5.085,513 2.727,514 4.209,515 4.777,516 3.573,517 1350.59,518 8.343,519 18745.6,521 1,522 1,523 296.423,524 1.405,525 4.732,526 0.19,527 0.006,528 0.066,529 0.037,530 0.041,531 0.018,532 0.015,533 0.015,534 0.008,535 0.007,536 0.402,537 0.33,538 1,539 1.403,540 141.594,541 -0.084,542 0.008,543 -0.062,544 0.009,545 -0.065,546 0.026,547 0.201,548 -0.19,549 -0.118,550 -0.203,551 0.107,552 -0.198,553 0.024,554 0.015,555 -0.055,556 -0.05,557 -0.084,558 -0.088,559 -0.15,560 -0.051,561 -0.02,562 -0.048,563 -0.122,564 -0.042,565 0.255,566 -0.107,567 0.148,568 -0.02,569 0.29,570 0.045,571 -0.098,572 0.025,573 -0.005,574 0.022,575 -0.097,576 0.018,577 -0.243,578 0.106,579 -0.115,580 0.054,581 -0.196,582 0.022,583 0.138,584 -0.056,585 0.087,586 -0.03,587 0.186,588 -0.039,589 2.836,590 5.608,591 0.429,592 28.071,593 1.006,594 1.122,595 2.371,596 5.62,597 0.67,598 3.401,599 3.638,600 3.784,601 3.912,602 4.06,603 3.912,604 3.97,605 4.06,606 3.989,607 3.912,608 6.731,609 0.632,610 400.54,611 3.401,612 4.89,613 5.68,614 6.503,615 7.311,616 8.136,617 8.952,618 9.778,619 10.599,620 11.426,621 3.8,625 2,628 10,630 2,631 12,637 52,638 15,639 2,640 29,641 53,642 21,643 12,644 2,645 10,647 2,648 2,650 1,652 5,653 15,654 6,656 3,658 3,659 3,661 1,662 24,663 6,664 3,665 7,666 1,667 2,668 1,669 4,674 2,678 2,679 1,684 1,685 2,687 1,690 1,691 28,694 1,695 4,696 1,697 2,700 2,704 7.7,706 1,707 3,709 15.333,710 8.65,711 6.472,712 2.914,713 1.669,714 1.256,715 0.91,716 9.052,717 8.195,718 3.664,719 4.111,720 4.46,721 4.83,722 5.265,723 4.937,724 5.109,725 5.374,726 5.522,727 5.437,728 0.857,729 37,730 10.452,731 4.41,732 8.079,733 19.306,734 15.235,735 2.579,736 72.222,738 1,739 246.24,740 158.52,741 36.022,743 118.118,744 38.564,745 119.956,746 364.359,747 36.022,749 44.525,750 94.762,751 139.256,752 6.371,754 273.986,756 246.24,757 155.978,758 118.118,759 38.564,760 222.698,761 141.66,763 44.525,764 111.453,766 38.564,767 246.24,768 154.14,769 158.52,771 246.24,772 25.194,773 94.762,774 36.022,775 156.682,776 246.24,777 154.14,778 158.52,779 0.561,780 0.315,781 0.158,782 0.085,783 13,784 7,785 0.189,786 10,788 1,789 3.944,790 217.132,792 12,793 126.606,794 1,797 21.995,798 11.523,799 7.698,801 154.14,802 18.836,804 1.895,805 78.705,806 558.9,807 38,809 36.174,810 -1.978,811 52.309,812 58.321,813 0.284,814 0.598,815 0.716,816 0.826,817 0.865,818 0.892,819 4.852,820 1.3,821 5.624,822 3.129,823 4.317,824 4.796,825 3.124,826 6.319,827 4.297,828 6,829 1.03,830 7.117,831 2.935,832 3.761,833 4.331,834 2.848,835 7.008,836 3.75,837 7.251,838 1,839 8.708,840 2.305,841 5.802,842 6.747,843 4.347,844 10.024,845 5.759,846 8.528,847 1,848 10.357,849 2.136,850 6.043,851 6.989,852 4.665,853 11.516,854 5.997,855 9.831,856 0.549,857 12.041,858 2.136,859 7.54,860 8.937,861 5.772,862 14.024,863 7.469,864 11.151,865 0.191,866 13.751,867 1.258,868 8.157,869 9.499,870 6.354,871 15.861,872 8.073,873 12.484,874 -0.125,875 15.477,876 0.293,877 9.409,878 11.236,879 7.306,880 18.174,881 9.305,882 2.912,883 -0.581,884 17.217,885 -0.319,886 10.222,887 11.978,888 8.019,889 20.179,890 10.098,891 2.659,892 9.047,893 18.965,894 -1.309,895 11.358,896 13.59,897 8.908,898 22.414,899 11.216,900 2.542,901 7.967,902 20.722,903 3.475,904 12.274,905 14.45,906 9.689,907 24.505,908 12.11,909 2.393,910 7.022,911 22.484,912 3.447,913 13.356,914 15.976,915 10.553,916 26.709,917 13.173,918 2.153,919 6.737,920 24.252,921 3.181,922 14.33,923 16.922,924 11.371,925 28.846,926 14.124,927 1.531,928 5.791,929 26.024,930 2.948,931 15.388,932 18.384,933 12.228,934 31.038,935 15.162,936 1.483,937 3.59,938 27.8,939 2.697,940 16.394,941 19.396,942 13.065,943 33.2,944 16.145,945 9214,946 16410,947 18.781,948 34.853,949 42.012,950 45.131,951 43.053,952 41.385,953 41.485,954 52.988,955 13.463,956 108.691,957 41.041,958 5.042,959 5.862,960 5.949,961 4.919,962 4.912,963 6.475,964 3.99,965 15.446,966 4.857,967 15.225,968 1.449,969 1.556,970 1.485,971 1.427,972 1.431,973 1.827,974 0.464,975 3.748,976 1.415,977 3.966,978 4.001,979 3.898,980 3.89,981 7.474,982 3.884,983 3.904,984 3.936,985 3.829,986 3.848,987 7.432,988 3.839,989 3.751,990 3.788,991 3.786,992 3.581,993 7.423,994 3.587,995 3.618,996 3.655,997 3.599,998 3.449,999 6.351,1000 3.448,1001 3.426,1002 3.467,1003 3.397,1004 3.285,1005 4.763,1006 3.275,1007 3.059,1008 3.08,1009 3.274,1010 2.884,1011 4.739,1012 2.856,1013 3.025,1014 3.077,1015 2.951,1016 2.843,1017 4.316,1018 2.825,1019 3.01,1020 3.042,1021 2.891,1022 2.771,1023 4.111,1024 2.785,1025 0.141,1026 0.133,1027 0.212,1028 0.134,1029 0.1,1030 4.089,1031 0.12,1032 3.862,1033 0.082,1034 6.147,1035 0.312,1036 3.896,1037 0.099,1038 2.912,1039 3.475,1040 2.376,1041 9.047,1042 2.857,1043 1.932,1044 1.902,1045 2.065,1046 2.035,1047 1.257,1048 2.044,1049 1.917,1050 1.888,1051 2.05,1052 1.999,1053 1.22,1054 2.018,1055 1.669,1056 1.631,1057 1.813,1058 1.879,1059 1.039,1060 1.865,1061 1.554,1062 1.514,1063 1.737,1064 1.764,1065 0.922,1066 1.758,1067 1.405,1068 1.359,1069 1.63,1070 1.587,1071 0.858,1072 1.604,1073 0.991,1074 0.939,1075 1.235,1076 1.253,1077 0.342,1078 1.232,1079 0.936,1080 0.897,1081 1.181,1082 1.22,1083 0.258,1084 1.209,1085 0.886,1086 0.866,1087 1.181,1088 1.183,1089 0.218,1090 1.185,1091 4.078,1092 5.333,1094 6.767,1096 8.276,1098 9.82,1102 9.135,1103 1.016,1104 3.958,1105 5.171,1108 -1.984,1111 32.884,1112 84.145,1113 177.255,1114 212.184,1115 244.913,1116 256.423,1117 264.423,1118 91.688,1119 6.525,1120 95.5,1121 134.3,1122 12,1123 12.003,1124 4,1125 3.322,1126 61.459,1127 105,1128 122,1129 0.262,1130 211.781,1131 377.25,1132 508.505,1133 5072,1135 20.355,1136 0.727,1137 0.581,1138 20.855,1139 16.27,1140 13.49,1141 0.465,1142 0.332,1143 8.968,1144 12.799,1145 8.736,1146 7.235,1147 13.844,1148 9.638,1149 11.547,1150 0.312,1151 0.182,1152 11.752,1153 6.743,1154 8.805,1155 0.205,1156 0.107,1157 9.067,1158 4.58,1159 6.623,1160 0.135,1161 0.06,1162 6.942,1163 2.933,1164 5.171,1165 0.091,1166 0.033,1167 5.302,1168 1.854,1169 0.41,1170 87.604,1171 0.231,1172 26.961,1173 0.721,1174 132,1175 430.12,1176 154.435,1177 427.395,1178 546.8,1179 394,1180 146,1181 357.121,1182 164.293,1183 364.064,1184 519.11,1185 342,1186 6.481} {0 CHEMBL337795,1 1.576,2 11.167,3 2.138,4 4.572,5 107.366,6 7.639,7 0.387,8 4.063,9 4.168,10 3.604,11 3.574,12 5.3,13 3.566,14 4.56,15 4.705,16 3.927,17 3.932,18 5.897,19 3.886,20 4.898,21 5.101,22 3.951,23 4.055,24 6.074,25 3.984,26 4.942,27 5.154,28 3.969,29 4.01,30 6.172,31 3.958,32 4.926,33 5.123,34 4.13,35 3.986,36 6.551,37 3.964,38 4.928,39 5.129,40 4.041,41 3.995,42 6.332,43 3.967,44 4.921,45 5.12,46 3.994,47 4.024,48 6.214,49 3.985,50 4.9,51 5.088,52 4.002,53 4.054,54 6.289,55 3.999,56 0.138,57 0.727,58 10.447,59 5.02,60 26.424,61 6.08,62 0.434,63 1.137,64 18.612,65 8.127,66 82.098,67 10.622,68 0.752,69 1.436,70 30.21,71 10.356,72 126.031,73 13.813,74 0.8,75 1.425,76 32.751,77 10.314,78 141.313,79 13.824,80 1.207,81 1.39,82 32.194,83 9.951,84 247.355,85 13.662,86 0.98,87 1.413,88 32.271,89 9.616,90 175.99,91 12.877,92 0.849,93 1.384,94 31.959,95 10.186,96 146.382,97 13.143,98 0.767,99 1.363,100 30.283,101 10.948,102 151.313,103 14.06,104 45,105 40,106 0.262,107 0.551,108 0.658,109 0.791,110 0.833,111 0.857,112 3.44,113 0.916,114 -3.05,115 -3.05,116 -2.94,117 40.7,119 4,123 2,125 10,126 2,129 4,134 2,135 2,136 15,137 1,139 2,141 4,142 4,143 1,144 17,145 1,148 3,150 2,151 2,152 4,153 1,155 12,157 1,160 4,161 3,162 1,163 1,164 4,165 2,167 5,172 3,173 6,174 1,176 4,177 1,178 8,179 1,181 4,182 1,184 1,185 8,188 2,189 1,190 7,191 1,193 5,194 2,197 8,198 1,199 1,200 1,201 5,204 10,205 4,207 1,208 7,209 1,210 1,212 6,214 12,215 6,218 1,219 8,222 1,224 8,226 12,227 5,229 1880,230 19.69,231 19.69,232 19.69,233 19.69,234 19.69,235 17.513,236 17.121,237 12.121,238 19.755,239 15.328,240 15.328,241 15.328,242 15.328,243 15.328,244 12.1,245 13.374,246 5.83,247 15.408,248 4.179,249 2.438,250 1.791,251 0.991,252 0.741,253 0.593,254 4.104,257 1,258 1,259 679,260 5,262 253.6,265 1.633,266 50.792,268 1,269 0.83,270 0.83,271 1,272 1,273 0.83,274 0.5,275 0.86,276 67,277 335,278 4.096,279 3.848,280 6.156,281 3.907,282 2.922,283 3.475,284 2.376,285 9.083,286 2.868,287 3.92,288 3.707,289 5.884,290 3.686,291 2.697,292 3.447,293 2.341,294 8.158,295 2.656,296 3.904,297 3.556,298 5.361,299 3.545,300 2.543,301 3.201,302 1.969,303 7.022,304 2.547,305 3.764,306 3.522,307 5.288,308 3.398,309 2.397,310 2.986,311 1.891,312 6.748,313 2.394,314 3.533,315 2.734,316 4.961,317 3.189,318 2.164,319 2.709,320 0.351,321 5.804,322 2.201,323 3.44,324 2.696,325 4.591,326 3.05,327 2.041,328 2.592,329 0.144,330 4.881,331 2.024,332 2.932,333 2.108,334 4.104,335 2.527,336 1.528,337 2.089,339 3.583,340 1.522,341 2.912,342 1.974,343 3.628,344 2.484,345 1.483,346 2.076,348 3.129,349 1.484,350 2.521,351 1.61,352 3.583,353 2.216,354 1.234,355 1.5,356 2.909,357 1.198,358 2.5,359 1.491,360 3.384,361 2,362 1,363 1.5,364 2.136,365 1,366 2.5,367 1.007,368 3.247,369 2,370 1,371 1.459,372 2.136,373 1,374 2.242,375 1,376 3.247,377 1.876,378 0.861,379 1.051,380 2.067,381 0.856,382 1.776,383 1,384 3.031,385 1.553,386 0.54,387 0.627,388 1.248,389 0.544,390 1.137,391 0.787,392 2.655,393 0.875,394 -0.119,395 -0.138,396 -0.306,397 -0.117,398 1,399 0.551,400 2.499,401 0.708,402 -0.3,403 -0.339,405 -0.782,406 -0.295,407 13.8,408 0.46,409 0.74,410 0.025,411 36,412 1.2,413 18,414 0.6,415 18,416 0.6,417 25.248,418 0.842,419 33.6,420 0.622,421 31.953,422 1.065,423 7.638,424 0.255,425 6.708,426 0.224,427 0.145,429 0.29,430 0.763,431 1.176,432 0.809,433 1.048,434 0.676,435 0.952,436 0.418,437 1.323,438 0.879,439 1.262,440 0.449,441 1.2,442 0.941,443 1.018,444 1.097,445 1.033,446 0.998,447 1.089,448 1.124,449 1.034,450 1.049,451 0.987,452 1.149,453 0.992,454 0.716,455 1.084,456 0.793,457 0.965,458 0.709,459 0.905,460 1.129,461 0.985,462 1.022,463 0.901,464 1.114,465 0.917,466 1.264,467 0.881,468 1.08,469 0.885,470 1.299,471 0.922,472 0.987,473 1.034,474 1.011,475 1.085,476 0.997,477 1.062,478 6.5,479 0.169,480 2.444,481 1.5,482 1.742,483 0.819,484 0.633,485 0.552,486 0.407,487 0.266,488 10875,489 36253,490 1.94,491 44.4,492 2,493 12,494 4,495 4,496 2,498 1.735,499 1.8,500 3.442,501 1.631,502 1,503 1,506 85.108,507 1.576,508 3.317,509 3.964,510 4.764,511 5.014,512 5.162,513 2.848,514 4.282,515 4.877,516 3.633,517 1580.4,518 8.548,519 23035.7,521 1,522 1,523 310.764,524 1.457,525 4.825,526 0.21,527 0.006,528 0.061,529 0.038,530 0.045,531 0.018,532 0.015,533 0.013,534 0.01,535 0.007,536 0.423,537 0.17,538 0.88,539 1.543,540 155.087,541 -0.1,542 0.039,543 -0.021,544 0.075,545 -0.074,546 0.054,547 0.233,548 -0.177,549 -0.045,550 -0.185,551 0.165,552 -0.19,553 -0.056,554 0.024,555 -0.146,556 -0.055,557 -0.133,558 -0.115,559 -0.11,560 -0.042,561 -0.052,562 -0.037,563 -0.134,564 -0.031,565 0.376,566 -0.095,567 0.217,568 -0.018,569 0.404,570 0.047,571 -0.021,572 0.034,573 -0.013,574 0.027,575 -0.002,576 0.016,577 -0.166,578 0.113,579 -0.08,580 0.072,581 -0.171,582 0.03,583 -0.004,584 -0.057,585 -0.049,586 -0.073,587 0.028,588 -0.07,589 3.125,590 5.672,591 0.4,592 31.511,593 1.016,594 1.126,595 1.82,596 3.312,597 0.65,598 3.466,599 3.714,600 3.829,601 3.989,602 4.159,603 3.989,604 4.043,605 4.127,606 4.127,607 4.025,608 7.005,609 0.632,610 412.48,611 3.466,612 4.963,613 5.746,614 6.575,615 7.381,616 8.21,617 9.026,618 9.856,619 10.677,620 11.508,621 3.7,625 2,628 10,630 2,631 12,637 54,638 16,639 2,640 31,641 55,642 22,643 12,644 2,645 10,647 2,648 2,652 6,653 16,654 6,656 4,658 4,659 4,661 1,662 24,663 8,664 4,665 8,667 2,668 1,669 6,674 2,678 2,679 2,684 2,685 2,691 30,694 2,695 4,697 2,700 2,704 11.1,706 2,707 4,709 16.667,710 9.067,711 6.806,712 3.031,713 1.641,714 1.247,715 0.892,716 9.199,717 8.275,718 3.738,719 4.19,720 4.494,721 4.877,722 5.325,723 5,724 5.145,725 5.401,726 5.592,727 5.507,728 1,729 39,730 11.26,731 4.87,732 8.289,733 20.31,734 16.022,735 2.789,736 83.667,739 235.422,740 122.501,741 36.022,743 185.946,745 122.501,746 421.368,747 36.022,749 46.16,750 94.762,751 197.175,752 6.371,754 235.422,756 235.422,757 158.522,758 185.946,760 211.88,761 209.489,763 46.16,764 112.363,767 235.422,768 221.968,769 122.501,771 235.422,772 27.738,773 94.762,774 36.022,775 185.946,776 235.422,777 221.968,778 122.501,779 0.565,780 0.301,781 0.156,782 0.093,783 14,784 8,785 0.2,786 11,788 1,789 4.081,790 239.927,792 12,793 139.207,797 23.268,798 11.86,799 8.495,801 221.968,802 18.336,804 1.746,805 121.388,806 579.891,807 41,809 47.226,810 -3.922,811 54.887,812 60.82,813 0.274,814 0.576,815 0.689,816 0.828,817 0.871,818 0.897,819 4.934,820 1.483,821 5.7,822 3.583,823 4.394,824 4.875,825 3.444,826 6.395,827 4.382,828 6.092,829 1.234,830 7.192,831 3.129,832 3.892,833 4.477,834 3.246,835 7.071,836 3.877,837 7.348,838 1,839 8.78,840 2.909,841 5.878,842 6.817,843 4.735,844 10.092,845 5.846,846 8.626,847 1,848 10.424,849 2.136,850 6.133,851 7.094,852 5.113,853 11.566,854 6.094,855 9.928,856 0.861,857 12.103,858 2.136,859 7.61,860 8.993,861 6.218,862 14.09,863 7.553,864 11.245,865 0.54,866 13.807,867 2.067,868 8.23,869 9.575,870 6.84,871 15.921,872 8.159,873 12.575,874 -0.119,875 15.529,876 1.248,877 9.477,878 11.281,879 7.796,880 18.246,881 9.389,882 2.922,883 -0.3,884 17.265,885 -0.306,886 10.29,887 12.034,888 8.534,889 20.252,890 10.184,891 2.697,892 9.083,893 19.011,894 -0.782,895 11.425,896 13.626,897 9.428,898 22.495,899 11.302,900 2.543,901 8.158,902 20.766,903 3.475,904 12.344,905 14.493,906 10.224,907 24.589,908 12.2,909 2.397,910 7.022,911 22.527,912 3.447,913 13.427,914 16.005,915 11.092,916 26.798,917 13.266,918 2.164,919 6.748,920 24.295,921 3.201,922 14.404,923 16.956,924 11.917,925 28.939,926 14.221,927 2.041,928 5.804,929 26.067,930 2.986,931 15.464,932 18.408,933 12.775,934 31.135,935 15.262,936 1.528,937 4.881,938 27.844,939 2.709,940 16.474,941 19.424,942 13.615,943 33.3,944 16.25,945 10998,946 20250,947 19.879,948 35.114,949 45.692,950 46.733,951 45.986,952 44.861,953 44.823,954 57.424,955 18.145,956 117.807,957 44.589,958 5.055,959 5.848,960 5.958,961 4.933,962 4.922,963 6.475,964 3.99,965 15.485,966 4.868,967 17.508,968 1.474,969 1.508,970 1.483,971 1.447,972 1.446,973 1.852,974 0.585,975 3.8,976 1.438,977 3.968,978 4.003,979 3.892,980 3.89,981 7.48,982 3.884,983 3.904,984 3.936,985 3.828,986 3.848,987 7.469,988 3.839,989 3.779,990 3.811,991 3.711,992 3.586,993 7.432,994 3.612,995 3.644,996 3.68,997 3.566,998 3.454,999 7.423,1000 3.471,1001 3.45,1002 3.487,1003 3.357,1004 3.289,1005 6.353,1006 3.29,1007 3.295,1008 3.283,1009 3.242,1010 2.954,1011 6.349,1012 3.023,1013 3.05,1014 3.08,1015 2.951,1016 2.848,1017 4.763,1018 2.855,1019 3.022,1020 3.076,1021 2.891,1022 2.777,1023 4.739,1024 2.818,1025 0.132,1026 0.124,1027 0.199,1028 0.126,1029 0.094,1030 4.096,1031 0.112,1032 3.848,1033 0.077,1034 6.156,1035 0.293,1036 3.907,1037 0.093,1038 2.922,1039 3.475,1040 2.376,1041 9.083,1042 2.868,1043 1.932,1044 1.902,1045 2.065,1046 2.036,1047 1.258,1048 2.045,1049 1.917,1050 1.888,1051 2.05,1052 2,1053 1.221,1054 2.018,1055 1.692,1056 1.656,1057 1.844,1058 1.91,1059 1.082,1060 1.89,1061 1.577,1062 1.537,1063 1.766,1064 1.791,1065 0.924,1066 1.779,1067 1.419,1068 1.373,1069 1.648,1070 1.612,1071 0.86,1072 1.62,1073 1.09,1074 1.087,1075 1.272,1076 1.463,1077 0.347,1078 1.389,1079 0.985,1080 0.936,1081 1.216,1082 1.247,1083 0.272,1084 1.23,1085 0.903,1086 0.883,1087 1.181,1088 1.22,1089 0.218,1090 1.187,1091 4.143,1092 5.407,1094 6.838,1096 8.343,1098 9.885,1102 18.028,1103 0.021,1105 4.855,1108 -2.624,1111 34.126,1112 85.108,1113 179.106,1114 214.035,1115 257.254,1116 270.764,1117 278.764,1118 113.798,1119 6.635,1120 132.8,1121 132.8,1122 12,1123 12.082,1124 4.087,1125 3.459,1126 68.642,1127 117,1128 138,1129 0.261,1130 215.307,1131 390.98,1132 517.11,1133 5794,1135 21.933,1136 0.731,1137 0.543,1138 21.933,1139 16.284,1140 14.346,1141 0.463,1142 0.305,1143 9.348,1144 13.795,1145 9.19,1146 7.602,1147 14.346,1148 9.47,1149 12.769,1150 0.319,1151 0.17,1152 12.769,1153 6.793,1154 9.055,1155 0.201,1156 0.098,1157 9.055,1158 4.411,1159 6.959,1160 0.131,1161 0.054,1162 6.959,1163 2.875,1164 5.797,1165 0.092,1166 0.03,1167 5.797,1168 1.888,1169 0.41,1170 90.358,1171 0.224,1172 28.522,1173 0.721,1174 142,1175 513.907,1176 159.393,1177 486.83,1178 617.42,1179 446,1180 156,1181 408.55,1182 169.991,1183 409.308,1184 581,1185 384,1186 5} {0 CHEMBL342409,1 1.612,2 11.378,3 3.554,4 12.631,5 141.962,6 7.357,7 0.316,8 4.332,9 4.45,10 3.853,11 3.84,12 5.475,13 3.801,14 4.866,15 5.034,16 4.201,17 4.204,18 6.069,19 4.137,20 5.2,21 5.403,22 4.237,23 4.359,24 6.303,25 4.265,26 5.308,27 5.551,28 4.327,29 4.344,30 6.437,31 4.269,32 5.26,33 5.452,34 4.475,35 4.331,36 6.744,37 4.301,38 5.274,39 5.478,40 4.456,41 4.42,42 6.506,43 4.371,44 5.386,45 5.587,46 4.503,47 4.51,48 6.615,49 4.458,50 5.45,51 5.659,52 4.525,53 4.585,54 6.767,55 4.504,56 0.091,57 0.991,58 16.127,59 7.023,60 20.419,61 8.936,62 0.546,63 1.543,64 29.802,65 11.427,66 82.638,67 15.274,68 0.863,69 1.954,70 43.941,71 14.606,72 116.688,73 19.522,74 0.775,75 2.059,76 51.138,77 14.923,78 140.815,79 20.929,80 1.494,81 1.985,82 49.731,83 13.255,84 273.55,85 17.717,86 0.858,87 2.095,88 47.752,89 14.784,90 146.967,91 19.917,92 0.867,93 2.28,94 53.174,95 16.53,96 156.044,97 22.017,98 1.407,99 2.409,100 58.938,101 18.673,102 248.468,103 24.587,104 104,105 51,106 0.253,107 0.563,108 0.699,109 0.753,110 0.782,111 0.799,112 3.642,113 0.997,114 -3.35,115 -3.33,116 -3.19,117 37.5,118 3,119 3,122 1,123 3,124 1,125 10,126 2,129 3,130 1,134 1,135 1,136 14,138 1,139 3,141 5,142 3,143 1,144 19,145 1,148 3,150 3,151 3,152 5,155 10,160 9,161 1,164 9,167 2,172 4,173 7,176 4,178 10,179 1,181 2,182 1,185 12,188 2,189 2,190 9,193 6,194 1,197 16,198 1,201 9,204 10,205 2,207 3,208 9,210 3,212 7,213 1,214 17,215 3,219 9,222 1,223 1,224 6,226 21,227 2,229 2942,230 23.869,231 23.869,232 23.869,233 23.869,234 23.869,235 21.769,236 23.052,237 14.482,238 24.171,239 18.76,240 18.76,241 18.76,242 18.76,243 18.76,244 15.605,245 22.967,246 6.868,247 19.221,248 4.558,249 2.582,250 1.716,251 1.372,252 1.185,253 1.073,254 4.305,258 1,259 844,260 6,262 322.256,265 1.591,266 58.111,268 0.75,269 0.5,270 0.67,271 0.9,272 1,273 0.5,275 0.62,276 81.5,277 421,278 4.178,279 3.861,280 6.448,281 4.074,282 3.136,283 3.486,284 2.376,285 10.161,286 2.936,287 4.112,288 3.796,289 6.207,290 3.938,291 2.954,292 3.465,293 2.189,294 9.258,295 2.894,296 3.993,297 3.7,298 6.027,299 3.781,300 2.794,301 3.239,302 1.982,303 8.655,304 2.751,305 3.891,306 3.595,307 5.831,308 3.626,309 2.636,310 3.184,311 1.922,312 7.966,313 2.6,314 3.802,315 3.282,316 5.301,317 3.418,318 2.419,319 3.044,320 0.427,321 6.813,322 2.414,323 3.665,324 3.167,325 5.273,326 3.335,327 2.335,328 2.848,329 0.333,330 6.645,331 2.329,332 3.416,333 2.746,334 4.889,335 3.041,336 2.051,337 2.537,338 0.174,339 5.602,340 1.992,341 2.944,342 2.718,343 4.268,344 2.555,345 1.56,346 2.095,347 0.026,348 3.907,349 1.544,350 2.917,351 2.122,352 3.906,353 2.492,354 1.49,355 2.078,356 3.261,357 1.491,358 2.67,359 2.03,360 3.699,361 2.386,362 1.414,363 1.634,364 3.01,365 1.353,366 2.5,367 1.943,368 3.572,369 2.222,370 1.252,371 1.5,372 2.852,373 1.203,374 2.5,375 1.492,376 3.487,377 2,378 1,379 1.5,380 2.315,381 1,382 2.496,383 1.49,384 3.247,385 2,386 1,387 1.439,388 2.136,389 1,390 2.254,391 1,392 3.247,393 1.932,394 0.944,395 1.111,396 2.136,397 0.917,398 1.876,399 1,400 3.048,401 1.592,402 0.639,403 0.735,405 1.189,406 0.588,407 17.533,408 0.474,409 1.107,410 0.03,411 40.25,412 1.088,413 18,414 0.486,415 22.25,416 0.601,417 42.188,418 1.14,419 42.467,420 0.59,421 38.287,422 1.035,423 7.797,424 0.211,425 9.682,426 0.262,427 0.228,428 0.029,429 0.257,430 0.764,431 1.304,432 0.895,433 1.144,434 0.655,435 1.054,436 0.484,437 1.247,438 0.875,439 1.155,440 0.46,441 1.106,442 1.105,443 1.066,444 1.074,445 1.039,446 0.974,447 1.124,448 1.179,449 1.042,450 0.828,451 0.864,452 1.219,453 0.849,454 1.368,455 1,456 0.978,457 0.861,458 1.402,459 0.878,460 1.197,461 1.034,462 0.888,463 0.92,464 1.234,465 0.918,466 1.419,467 1.066,468 0.956,469 0.938,470 1.405,471 0.956,472 1.16,473 0.882,474 1.013,475 0.882,476 1.161,477 0.931,478 9.5,479 0.409,480 3.333,481 2.5,482 2.142,483 1.236,484 1.102,485 0.962,486 0.704,487 0.546,488 17534,489 53204,490 1.9,491 48.6,493 15,494 5,496 13,497 2,498 1.792,499 1.741,500 3.46,501 2.243,506 116.063,507 1.612,508 3.588,509 4.454,510 4.798,511 4.985,512 5.097,513 2.818,514 4.628,515 5.181,516 3.671,517 2444.64,518 9.184,519 41032.8,523 444.235,524 1.639,525 5.106,526 0.25,527 0.007,528 0.065,529 0.05,530 0.04,531 0.021,532 0.017,533 0.015,534 0.011,535 0.009,536 0.484,537 0.17,538 0.63,539 1.754,540 202.272,541 -0.074,542 -0.053,543 -0.038,544 -0.027,545 -0.074,546 0.005,547 0.286,548 -0.107,549 0.009,550 -0.115,551 0.168,552 -0.081,553 -0.056,554 -0.023,555 -0.169,556 -0.098,557 -0.113,558 -0.16,559 -0.099,560 -0.076,561 0.102,562 0.024,563 -0.089,564 0.095,565 0.104,566 0.04,567 0.024,568 0.038,569 0.16,570 0.017,571 -0.059,572 0.012,573 0.027,574 -0.004,575 -0.056,576 0.027,577 -0.196,578 -0.055,579 -0.043,580 -0.024,581 -0.137,582 -0.012,583 0.019,584 0.122,585 -0.049,586 0.07,587 0.056,588 0.026,589 2.86,590 6.409,591 0.324,592 40.336,593 1.007,594 1.129,595 2.12,596 4.495,597 0.647,598 3.664,599 3.951,600 4.043,601 4.234,602 4.369,603 4.331,604 4.443,605 4.543,606 4.564,607 4.533,608 7.487,609 0.611,610 529.72,611 3.664,612 5.187,613 5.974,614 6.828,615 7.635,616 8.49,617 9.308,618 10.164,619 10.987,620 11.844,621 4.2,625 3,628 10,630 2,631 12,637 72,638 16,639 2,640 38,641 73,642 27,643 12,644 2,645 10,647 2,648 2,650 4,652 6,653 16,654 11,655 1,656 4,658 4,659 4,662 35,663 9,664 4,665 10,666 1,667 3,668 1,669 6,674 2,678 2,679 1,683 1,684 1,685 2,687 1,688 3,690 1,691 37,694 1,695 4,696 1,697 3,698 1,700 3,702 1,704 8.3,706 1,707 4,708 1,709 21.25,710 13.067,711 8.292,712 4.06,713 1.476,714 1.212,715 0.887,716 12.284,717 8.45,718 3.892,719 4.344,720 4.63,721 5.019,722 5.416,723 5.202,724 5.429,725 5.718,726 5.89,727 5.91,728 1,729 50,730 13.91,731 5.929,732 8.08,733 25.508,734 20.101,735 2.58,736 95.472,739 363.951,740 191.758,741 54.032,743 154.263,744 38.564,745 153.194,746 518.214,747 54.032,748 26.476,749 62.536,750 94.762,751 164.401,752 17.371,753 6.763,754 391.697,756 363.951,757 207.226,758 154.263,759 38.564,760 187.385,761 330.829,763 89.011,764 118.215,766 38.564,767 363.951,768 208.295,769 191.758,771 363.951,772 31.956,773 121.238,774 54.032,775 192.827,776 363.951,777 208.295,778 191.758,779 0.572,780 0.298,781 0.157,782 0.086,783 18,784 11,785 0.192,786 14,788 1,789 4.442,790 331.85,792 12,793 173.995,794 1,797 30.522,798 14.891,799 11.483,801 208.295,802 18.137,804 1.561,805 96.716,806 764.005,807 48,809 50.626,810 -3.22,811 72.483,812 81.315,813 0.261,814 0.582,815 0.722,816 0.778,817 0.808,818 0.826,819 5.124,820 1.56,821 5.979,822 5.602,823 4.635,824 5.03,825 3.46,826 6.739,827 4.588,828 6.302,829 1.49,830 7.516,831 3.907,832 4.369,833 4.771,834 3.1,835 7.73,836 4.297,837 7.582,838 1.414,839 9.157,840 3.261,841 6.229,842 6.977,843 4.714,844 10.655,845 6.123,846 8.885,847 1.252,848 10.857,849 3.01,850 6.711,851 7.374,852 4.964,853 12.393,854 6.566,855 10.213,856 1,857 12.593,858 2.852,859 8.107,860 9.164,861 6.144,862 14.888,863 7.931,864 11.556,865 1,866 14.353,867 2.315,868 8.916,869 9.845,870 6.666,871 16.925,872 8.69,873 12.912,874 0.944,875 16.129,876 2.136,877 10.132,878 11.459,879 7.664,880 19.276,881 9.871,882 3.136,883 0.639,884 17.917,885 2.136,886 11.094,887 12.291,888 8.328,889 21.444,890 10.778,891 2.954,892 10.161,893 19.713,894 1.189,895 12.238,896 13.808,897 9.241,898 23.746,899 11.882,900 2.794,901 9.258,902 21.516,903 3.486,904 13.273,905 14.735,906 9.983,907 25.976,908 12.86,909 2.636,910 8.655,911 23.325,912 3.465,913 14.39,914 16.188,915 10.856,916 28.264,917 13.931,918 2.419,919 7.966,920 25.139,921 3.239,922 15.463,923 17.184,924 11.642,925 30.525,926 14.945,927 2.335,928 6.813,929 26.956,930 3.184,931 16.573,932 18.589,933 12.497,934 32.812,935 16.004,936 2.051,937 6.645,938 28.777,939 3.044,940 17.666,941 19.637,942 13.31,943 35.09,944 17.038,945 17924,946 31384,947 23.75,948 46.574,949 56.528,950 59.959,951 56.967,952 55.335,953 55.249,954 67.787,955 18.859,956 151.812,957 54.018,958 5.152,959 5.861,960 6.25,961 5.145,962 5.136,963 6.486,964 4.079,965 16.721,966 4.936,967 24.73,968 1.488,969 1.578,970 1.499,971 1.456,972 1.454,973 1.784,974 0.496,975 3.995,976 1.422,977 3.98,978 4.015,979 3.91,980 3.895,981 7.475,982 3.89,983 3.908,984 3.94,985 3.834,986 3.849,987 7.438,988 3.84,989 3.779,990 3.817,991 3.775,992 3.618,993 7.429,994 3.622,995 3.742,996 3.781,997 3.671,998 3.563,999 7.423,1000 3.566,1001 3.652,1002 3.698,1003 3.601,1004 3.483,1005 6.351,1006 3.488,1007 3.491,1008 3.539,1009 3.497,1010 3.331,1011 4.766,1012 3.329,1013 3.249,1014 3.279,1015 3.357,1016 3.088,1017 4.739,1018 3.039,1019 3.191,1020 3.203,1021 3.132,1022 2.89,1023 4.566,1024 2.939,1025 0.11,1026 0.102,1027 0.17,1028 0.107,1029 0.083,1030 4.178,1031 0.092,1032 3.861,1033 0.063,1034 6.448,1035 0.267,1036 4.074,1037 0.077,1038 3.136,1039 3.486,1040 2.376,1041 10.161,1042 2.936,1043 1.933,1044 1.903,1045 2.063,1046 2.043,1047 1.259,1048 2.047,1049 1.918,1050 1.889,1051 2.049,1052 2.004,1053 1.223,1054 2.02,1055 1.709,1056 1.667,1057 1.946,1058 1.911,1059 1.183,1060 1.916,1061 1.697,1062 1.65,1063 1.872,1064 1.9,1065 1.118,1066 1.898,1067 1.598,1068 1.552,1069 1.767,1070 1.801,1071 0.924,1072 1.796,1073 1.45,1074 1.402,1075 1.654,1076 1.653,1077 0.861,1078 1.655,1079 1.156,1080 1.123,1081 1.417,1082 1.418,1083 0.525,1084 1.422,1085 1.03,1086 1.001,1087 1.417,1088 1.358,1089 0.469,1090 1.308,1091 4.344,1092 5.638,1094 7.094,1096 8.621,1098 10.183,1099 5.133,1102 9.454,1103 0.651,1104 4.063,1105 7.797,1106 5.328,1108 -3.286,1110 -0.771,1111 43.969,1112 116.063,1113 258.338,1114 320.712,1115 345.441,1116 358.95,1117 366.95,1118 173.332,1119 6.974,1120 133.83,1121 172.63,1122 12,1123 12.404,1124 4.087,1125 3.459,1126 96.335,1127 162,1128 161,1129 0.277,1130 281.194,1131 506.99,1132 677.874,1133 8326,1135 27.424,1136 0.741,1137 0.599,1138 27.924,1139 22.164,1140 17.479,1141 0.46,1142 0.332,1143 11.903,1144 16.504,1145 11.464,1146 9.572,1147 17.833,1148 12.632,1149 16.324,1150 0.32,1151 0.196,1152 16.574,1153 9.998,1154 10.948,1155 0.196,1156 0.098,1157 11.093,1158 5.496,1159 8.903,1160 0.131,1161 0.055,1162 9.089,1163 3.757,1164 6.72,1165 0.086,1166 0.03,1167 6.946,1168 2.375,1169 0.429,1170 113.285,1171 0.205,1172 33.395,1173 0.78,1174 178,1175 587.923,1176 209.907,1177 571.593,1178 733.86,1179 526,1180 196,1181 492.002,1182 219.908,1183 497.358,1184 710.39,1185 464,1186 7.409} {0 CHEMBL342584,1 1.634,2 8.722,3 1.722,4 2.964,5 71.875,6 7.639,7 0.333,8 3.609,9 3.718,10 3.162,11 3.162,12 4.772,13 3.102,14 4.107,15 4.267,16 3.421,17 3.493,18 5.338,19 3.39,20 4.418,21 4.643,22 3.424,23 3.578,24 5.516,25 3.451,26 4.406,27 4.63,28 3.417,29 3.496,30 5.559,31 3.381,32 4.334,33 4.551,34 3.516,35 3.394,36 5.814,37 3.291,38 4.193,39 4.416,40 3.192,41 3.229,42 5.448,43 3.114,44 4,45 4.24,46 2.925,47 3.112,48 5.107,49 2.967,50 3.816,51 4.044,52 2.9,53 3.061,54 4.921,55 2.911,56 0.05,57 0.468,58 8.088,59 3.628,60 13.338,61 4.391,62 0.211,63 0.728,64 14.438,65 5.855,66 45.845,67 7.447,68 0.368,69 0.892,70 21.596,71 7.248,72 64.693,73 9.4,74 0.351,75 0.849,76 21.827,77 6.741,78 70.569,79 8.617,80 0.498,81 0.756,82 22.159,83 6.671,84 115.112,85 8.15,86 0.358,87 0.651,88 18.873,89 5.535,90 76.75,91 6.679,92 0.252,93 0.555,94 15.725,95 4.936,96 50.884,97 6.063,98 0.106,99 0.489,100 12.675,101 4.595,102 22.872,103 5.685,104 27,105 22,106 0.307,107 0.665,108 0.801,109 0.863,110 0.878,111 0.878,112 2.957,113 1.072,114 -3.14,115 -3.13,116 -3.01,117 37.1,119 3,122 1,123 1,125 5,126 1,129 2,134 1,135 1,136 8,139 1,141 2,142 2,143 1,144 9,145 1,148 2,150 1,151 1,152 2,155 7,160 2,161 1,164 1,167 4,168 1,172 1,173 3,176 1,178 3,181 2,182 1,185 3,190 3,193 1,194 1,197 2,201 2,204 2,205 2,208 2,212 2,214 2,215 2,219 2,224 2,226 1,227 1,229 396,230 11.905,231 11.905,232 11.905,233 11.905,234 11.905,235 10.817,236 9.784,237 7.492,238 11.996,239 8.849,240 8.849,241 8.849,242 8.849,243 8.849,244 7.228,245 7.58,246 3.487,247 8.985,248 3.496,249 1.593,250 0.868,251 0.536,252 0.457,253 0.457,254 3.589,256 1,257 1,258 1,259 307,260 3.808,262 70.569,265 1.34,266 24.193,267 1,268 1,269 1,270 1,271 1,272 1,273 1,274 1,275 1,276 39.5,277 157,278 3.956,279 3.783,280 5.951,281 3.755,282 2.774,283 3.448,284 2.376,285 8.332,286 2.709,287 3.886,288 3.538,289 5.358,290 3.533,291 2.532,292 3.099,293 1.906,294 7.006,295 2.531,296 3.528,297 3.282,298 4.93,299 3.187,300 2.164,301 2.7,302 0.262,303 5.714,304 2.196,305 2.915,306 2.698,307 3.785,308 2.494,309 1.494,310 2.079,312 3.159,313 1.491,314 2.625,315 2.078,316 3.615,317 2.374,318 1.408,319 1.572,321 2.949,322 1.335,323 2.5,324 1.61,325 3.247,326 2,327 1,328 1.5,330 2.136,331 1,332 1.935,333 1.01,334 3.149,335 1.76,336 0.835,337 0.889,339 1.646,340 0.756,341 1.748,342 1,343 2.723,344 1.48,345 0.486,346 0.566,348 0.98,349 0.474,350 0.824,351 0.54,352 2.162,353 0.549,354 -0.367,355 -0.391,356 -0.675,357 -0.326,358 0.763,359 0.456,360 1.686,361 0.41,362 -0.615,363 -0.776,364 -1.325,365 -0.618,366 0.5,367 0.023,368 1.57,369 0.033,370 -1,371 -1.1,372 -2,373 -0.905,374 0.473,375 -0.288,376 1.555,378 -1,379 -1.402,380 -2.151,381 -1,382 0.194,383 -0.909,384 1.104,385 -0.085,386 -1,387 -1.5,388 -2.347,389 -1.02,390 -0.031,391 -1,392 1.071,393 -0.226,394 -1.237,395 -1.658,396 -3.116,397 -1.275,398 -0.5,399 -1.228,400 1,401 -0.762,402 -1.743,403 -1.881,404 -0.572,405 -4.637,406 -1.693,407 8.733,408 0.485,409 0.37,410 0.021,411 19.25,412 1.069,413 9,414 0.5,415 10.25,416 0.569,417 14.808,418 0.823,419 20.667,420 0.59,421 12.31,422 0.684,423 3.613,424 0.201,425 5.017,426 0.279,427 0.21,429 0.229,430 0.76,431 1.185,432 0.925,433 1.066,434 0.681,435 1.025,436 0.435,437 1.31,438 0.969,439 1.212,440 0.467,441 1.222,442 0.906,443 0.969,444 0.932,445 0.924,446 0.964,447 1.01,448 1.303,449 0.976,450 0.942,451 0.896,452 1.287,453 0.974,454 1.005,455 1.007,456 0.838,457 0.989,458 1.006,459 0.921,460 1.56,461 0.917,462 1.014,463 0.876,464 1.575,465 0.927,466 1.236,467 0.82,468 1.064,469 0.862,470 1.228,471 0.881,472 0.669,473 1.001,474 0.994,475 1.096,476 0.636,477 1.007,478 3.5,479 0.045,480 1.556,481 0.813,482 0.871,483 0.313,484 0.164,485 0.196,486 0.103,487 0.07,488 2640,489 9123,490 1.876,491 48.6,492 2,493 8,494 3,495 2,497 2,498 1.584,499 1.742,500 3.123,501 1.197,503 1,504 1,505 1,506 57.177,507 1.634,508 3.536,509 4.262,510 4.593,511 4.672,512 4.672,513 2.483,514 3.392,515 4.144,516 3.264,517 499.383,518 7.017,519 4988.97,520 1,521 1,522 1,523 179.525,524 1.436,525 4.086,526 0.194,527 0.009,528 0.071,529 0.039,530 0.046,531 0.016,532 0.012,533 0.016,534 0.009,535 0.007,536 0.419,537 0.5,538 1,539 2.456,540 78.316,541 -0.092,542 -0.004,543 -0.089,544 -0.013,545 -0.07,546 0.006,547 0.223,548 -0.213,549 -0.125,550 -0.217,551 0.154,552 -0.213,553 -0.001,554 0.017,555 -0.078,556 -0.039,557 -0.086,558 -0.061,559 -0.177,560 -0.023,561 -0.052,562 -0.023,563 -0.173,564 -0.05,565 0.227,566 -0.085,567 0.16,568 -0.046,569 0.277,570 0.021,571 -0.231,572 0.002,573 -0.045,574 0.024,575 -0.186,576 -0.013,577 -0.182,578 0.117,579 -0.069,580 0.091,581 -0.158,582 0.076,583 0.017,584 -0.027,586 -0.059,587 0.049,588 0.019,589 2.683,590 4.607,591 0.333,592 13.111,593 1.007,594 1.125,595 1.907,596 3.636,597 0.66,598 2.944,599 3.135,600 3.219,601 3.296,602 3.367,603 2.996,604 2.944,605 2.996,606 2.944,607 2.708,608 5.341,609 0.616,610 267.38,611 2.944,612 4.394,613 5.153,614 5.953,615 6.735,616 7.534,617 8.323,618 9.121,619 9.913,620 10.71,621 2.9,625 1,628 5,630 1,631 6,637 35,638 8,639 1,640 18,641 35,642 13,643 6,644 1,645 5,647 1,648 1,650 1,652 4,653 8,654 5,656 2,658 2,659 2,660 1,661 1,662 17,663 4,664 2,665 5,666 1,667 1,668 1,669 3,674 1,678 1,679 1,684 1,685 1,687 1,690 1,691 18,694 1,695 4,696 1,697 1,700 1,704 8.6,706 1,707 2,709 10.333,710 5.733,711 4.278,712 1.99,713 1.168,714 1.212,715 0.876,716 6.653,717 6.678,718 3.178,719 3.57,720 3.845,721 4.169,722 4.564,723 4.07,724 4.128,725 4.322,726 4.513,727 4.219,728 0.833,729 21,730 6.673,731 2.712,732 8.17,733 12.345,734 9.466,735 2.67,736 48.056,737 0.001,739 175.614,740 103.248,741 18.011,743 92.973,744 38.564,745 64.685,746 268.587,747 18.011,749 26.514,750 47.381,751 109.406,752 3.186,754 203.359,756 175.614,757 82.695,758 92.973,759 38.564,760 152.072,761 116.515,763 26.514,764 56.181,766 38.564,767 175.614,768 110.984,769 103.248,771 175.614,772 17.303,773 47.381,774 18.011,775 131.537,776 175.614,777 110.984,778 103.248,779 0.548,780 0.299,781 0.152,782 0.084,783 7,784 4,785 0.2,786 7,788 1,789 3.05,790 107.713,792 6,793 71.059,794 1,797 14.904,798 8.035,799 5.846,801 110.984,802 9.616,804 1.064,805 60.694,806 389.846,807 23,809 22.457,810 -1.259,811 35.229,812 39.368,813 0.318,814 0.689,815 0.831,816 0.896,817 0.911,818 0.911,819 4.337,820 0.486,821 5.081,822 1.646,823 3.807,824 4.248,825 2.782,826 5.733,827 3.782,828 5.465,829 -0.367,830 6.55,831 0.98,832 3.219,833 3.795,834 2.591,835 6.368,836 3.204,837 6.701,838 -0.615,839 8.119,840 -0.675,841 5.242,842 6.147,843 4.054,844 9.346,845 5.198,846 7.965,847 -1,848 9.747,849 -1.325,850 5.442,851 6.402,852 4.438,853 10.794,854 5.398,855 9.257,856 -1,857 11.411,858 -2,859 6.936,860 8.304,861 5.54,862 13.249,863 6.867,864 10.565,865 -1,866 13.101,867 -2.151,868 7.515,869 8.871,870 6.173,871 15.042,872 7.433,873 11.887,874 -1.237,875 14.808,876 -2.347,877 8.761,878 10.577,879 7.132,880 17.294,881 8.658,882 2.774,883 -1.743,884 16.528,885 -3.116,886 9.536,887 11.315,888 7.882,889 19.249,890 9.412,891 2.532,892 8.332,893 18.258,894 -4.637,895 10.659,896 12.91,897 8.781,898 21.417,899 10.515,900 2.164,901 7.006,902 19.995,903 3.448,904 11.539,905 13.76,906 9.587,907 23.451,908 11.37,909 1.494,910 5.714,911 21.737,912 3.099,913 12.601,914 15.277,915 10.463,916 25.584,917 12.412,918 1.408,919 3.159,920 23.485,921 2.7,922 13.538,923 16.209,924 11.297,925 27.658,926 13.322,927 1,928 2.949,929 25.237,930 2.079,931 14.57,932 17.667,933 12.164,934 29.779,935 14.333,936 0.835,937 2.136,938 26.992,939 1.572,940 15.539,941 18.664,942 13.012,943 31.872,944 15.274,945 2834,946 5332,947 11.326,948 23.108,949 25.744,950 27.82,951 26.407,952 25.432,953 25.389,954 31.705,955 9.087,956 63.843,957 24.984,958 4.882,959 5.783,960 5.753,961 4.755,962 4.774,963 6.448,964 3.99,965 14.114,966 4.709,967 10.152,968 1.43,969 1.546,970 1.467,971 1.413,972 1.41,973 1.761,974 0.505,975 3.547,976 1.388,977 3.933,978 3.966,979 3.859,980 3.868,981 7.474,982 3.859,983 3.764,984 3.803,985 3.775,986 3.606,987 7.428,988 3.601,989 3.506,990 3.549,991 3.558,992 3.367,993 6.351,994 3.352,995 3.243,996 3.27,997 3.347,998 3.085,999 4.751,1000 3.036,1001 3.041,1002 3.076,1003 2.931,1004 2.808,1005 4.321,1006 2.832,1007 2.854,1008 2.925,1009 2.723,1010 2.735,1011 4.013,1012 2.715,1013 2.678,1014 2.749,1015 2.687,1016 2.437,1017 3.818,1018 2.417,1019 2.504,1020 2.582,1021 2.369,1022 2.308,1023 3.674,1024 2.249,1025 0.22,1026 0.21,1027 0.331,1028 0.209,1029 0.154,1030 3.956,1031 0.192,1032 3.783,1033 0.132,1034 5.951,1035 0.463,1036 3.755,1037 0.15,1038 2.774,1039 3.448,1040 2.376,1041 8.332,1042 2.709,1043 1.924,1044 1.894,1045 2.06,1046 2.015,1047 1.247,1048 2.031,1049 1.698,1050 1.656,1051 1.873,1052 1.899,1053 1.184,1054 1.895,1055 1.488,1056 1.44,1057 1.719,1058 1.668,1059 0.9,1060 1.689,1061 1.154,1062 1.121,1063 1.354,1064 1.413,1065 0.525,1066 1.418,1067 0.934,1068 0.905,1069 1.181,1070 1.24,1071 0.279,1072 1.202,1073 0.886,1074 0.821,1075 1.151,1076 1.062,1077 0.218,1078 1.107,1079 0.602,1080 0.54,1081 0.906,1082 0.929,1084 0.956,1085 0.473,1086 0.398,1087 0.859,1088 0.771,1090 0.83,1091 3.611,1092 4.828,1094 6.225,1096 7.698,1098 9.21,1102 8.89,1103 1.658,1104 3.972,1105 2.5,1108 -0.842,1111 21.567,1112 57.177,1113 123.776,1114 149.16,1115 160.77,1116 163.525,1117 163.525,1118 52.046,1119 5.509,1120 66.4,1121 105.2,1122 6,1123 11.31,1124 3.17,1125 2.585,1126 41.892,1127 57,1128 48,1129 0.359,1130 143.354,1131 252.88,1132 341.545,1133 1326,1135 13.38,1136 0.743,1137 0.605,1138 13.88,1139 10.898,1140 8.63,1141 0.479,1142 0.357,1143 5.796,1144 8.04,1145 5.628,1146 4.662,1147 8.984,1148 6.434,1149 7.215,1150 0.328,1151 0.2,1152 7.465,1153 4.403,1154 5.1,1155 0.212,1156 0.116,1157 5.244,1158 2.793,1159 3.725,1160 0.143,1161 0.07,1162 3.91,1163 1.814,1164 2.926,1165 0.105,1166 0.04,1167 3.152,1168 1.117,1169 0.567,1170 57.457,1171 0.297,1172 18.547,1173 0.963,1174 80,1175 278.051,1176 98.167,1177 278.966,1178 348.77,1179 256,1180 86,1181 217.513,1182 98.103,1183 221.785,1184 313.47,1185 208,1186 5.125} {0 CHEMBL342872,1 1.598,2 11.032,3 3.346,4 11.193,5 121.166,6 7.938,7 0.515,8 4.083,9 4.186,10 3.686,11 3.685,12 5.263,13 3.644,14 4.58,15 4.718,16 4.012,17 4.059,18 5.808,19 3.989,20 4.911,21 5.108,22 4.097,23 4.192,24 6.058,25 4.103,26 4.97,27 5.174,28 4.092,29 4.141,30 6.157,31 4.065,32 4.936,33 5.132,34 4.202,35 4.097,36 6.387,37 4.042,38 4.905,39 5.098,40 4.132,41 4.094,42 6.204,43 4.041,44 4.942,45 5.137,46 4.11,47 4.14,48 6.195,49 4.079,50 4.912,51 5.099,52 4.125,53 4.207,54 6.241,55 4.112,56 0.064,57 0.736,58 11.078,59 5.326,60 16.338,61 6.337,62 0.273,63 1.189,64 19.705,65 8.841,66 54.225,67 11.035,68 0.473,69 1.58,70 31.056,71 11.963,72 79.718,73 15.151,74 0.511,75 1.627,76 34.408,77 11.884,78 104.569,79 14.552,80 0.795,81 1.549,82 34.963,83 11.708,84 175.988,85 14.136,86 0.551,87 1.523,88 32.166,89 11.077,90 103.988,91 13.312,92 0.573,93 1.56,94 33.633,95 11.493,96 112.809,97 13.656,98 0.533,99 1.521,100 32.981,101 12.828,102 120.753,103 15.477,104 34,105 44,106 0.262,107 0.582,108 0.729,109 0.852,110 0.888,111 0.9,112 3.472,113 0.962,114 -4.37,115 -4.3,116 -4.06,117 43.6,119 2,122 1,123 2,125 12,126 4,129 3,134 1,135 1,136 18,139 1,141 3,142 3,143 1,144 22,145 1,148 4,150 2,151 2,152 5,155 17,160 5,161 1,164 5,167 8,172 2,173 6,176 2,178 8,179 1,181 6,182 1,185 9,188 1,189 1,190 8,193 7,194 1,197 8,198 1,201 5,204 13,205 3,207 1,208 6,210 1,212 5,214 17,215 4,219 6,224 6,226 16,227 3,229 1908,230 20.853,231 20.853,232 20.853,233 20.853,234 20.853,235 18.431,236 13.38,237 12.639,238 20.976,239 16.26,240 16.26,241 16.26,242 16.26,243 16.26,244 12.611,245 11.517,246 5.933,247 16.434,248 4.183,249 2.233,250 1.334,251 0.588,252 0.364,253 0.291,254 4.153,257 1,258 1,259 715,260 4.69,262 314.499,264 164.28,265 1.519,266 41.471,268 1,269 1,270 0.83,271 0.8,272 0.5,273 1,274 1,275 0.88,276 67,277 342,278 4.437,279 3.831,280 6.273,281 4.001,282 3.003,283 4.352,284 2.376,285 9.487,286 2.995,287 4.107,288 3.683,289 6.145,290 3.875,291 2.886,292 3.487,293 1.955,294 9.049,295 2.846,296 3.937,297 3.514,298 5.918,299 3.661,300 2.674,301 3.407,302 1.058,303 8.217,304 2.63,305 3.889,306 3.282,307 5.791,308 3.539,309 2.532,310 3.152,311 0.313,312 7.816,313 2.545,314 3.68,315 2.863,316 5.283,317 3.34,318 2.333,319 2.883,320 0.058,321 6.682,322 2.34,323 3.118,324 2.731,325 4.459,326 2.618,327 1.618,328 2.427,330 4.446,331 1.618,332 3.036,333 2.116,334 4.313,335 2.585,336 1.588,337 2.23,339 4.053,340 1.574,341 2.928,342 1.991,343 3.957,344 2.495,345 1.492,346 2.087,348 3.311,349 1.493,350 2.783,351 1.894,352 3.701,353 2.388,354 1.414,355 1.854,356 3.009,357 1.359,358 2.641,359 1.618,360 3.606,361 2.301,362 1.314,363 1.592,364 2.908,365 1.287,366 2.5,367 1.491,368 3.512,369 2.02,370 1.029,371 1.5,372 2.443,373 1.006,374 2.348,375 1.379,376 3.247,377 2,378 1,379 1.248,380 2.136,381 1,382 2.141,383 1,384 3.158,385 1.651,386 0.672,387 0.953,388 1.516,389 0.65,390 1.876,391 0.687,392 2.917,393 1.588,394 0.617,395 0.736,396 1.188,397 0.584,398 1.138,399 0.591,400 2.767,401 0.875,402 -0.117,403 -0.138,405 -0.303,406 -0.116,407 14.967,408 0.483,409 0.698,410 0.023,411 39,412 1.258,413 20.5,414 0.661,415 18.5,416 0.597,417 27.347,418 0.882,419 33.033,420 0.601,421 32.36,422 1.044,423 7.649,424 0.247,425 7.324,426 0.236,427 0.145,429 0.301,430 0.726,431 1.063,432 0.851,433 0.953,434 0.643,435 0.898,436 0.465,437 1.199,438 0.932,439 1.123,440 0.495,441 1.11,442 0.832,443 1.012,444 0.922,445 0.973,446 0.887,447 1.017,448 1.384,449 1.05,450 0.977,451 0.926,452 1.363,453 0.976,454 1.114,455 1.046,456 0.854,457 0.934,458 1.1,459 0.89,460 1.349,461 1.045,462 0.918,463 0.919,464 1.339,465 0.925,466 1.572,467 0.882,468 0.983,469 0.814,470 1.547,471 0.873,472 0.931,473 0.954,474 1.011,475 1.015,476 0.957,477 0.996,478 6,479 0.214,480 3.333,481 1.625,482 1.987,483 0.965,484 0.633,485 0.655,486 0.403,487 0.278,488 12045,489 36384,490 2.012,491 43.6,493 16,494 4,496 2,497 2,498 1.744,499 1.879,500 3.414,501 1.568,503 1,506 87.897,507 1.598,508 3.549,509 4.447,510 5.193,511 5.418,512 5.49,513 2.817,514 4.543,515 4.926,516 3.592,517 1670.48,518 8.646,519 24330.3,521 1,523 317.975,524 1.418,525 4.881,526 0.182,527 0.007,528 0.076,529 0.035,530 0.046,531 0.021,532 0.014,533 0.015,534 0.009,535 0.007,536 0.411,537 0.17,538 1,539 1.479,540 160.628,541 -0.082,542 0.037,543 -0.057,544 0.027,545 -0.073,546 0.042,547 0.195,548 -0.132,549 -0.112,550 -0.161,551 0.109,552 -0.157,553 0.055,554 0.002,555 -0.055,556 -0.057,557 -0.04,558 -0.06,559 -0.186,560 -0.051,561 -0.064,562 -0.03,563 -0.179,564 -0.044,565 0.197,566 -0.049,567 0.125,568 -0.005,569 0.232,570 0.042,571 -0.077,572 -0.032,573 0.001,574 -0.024,575 -0.063,576 -0.007,577 -0.248,578 0.113,579 -0.061,580 0.086,581 -0.196,582 0.049,583 0.072,584 0.018,585 -0.041,586 -0.019,587 0.104,588 -0.014,589 2.804,590 5.919,591 0.516,592 30.214,593 1.006,594 1.115,595 3.137,596 9.84,597 0.688,598 3.526,599 3.807,600 4.025,601 4.22,602 4.443,603 4.407,604 4.5,605 4.605,606 4.682,607 4.605,608 6.834,609 0.652,610 436.57,611 3.526,612 5.043,613 5.866,614 6.718,615 7.562,616 8.416,617 9.268,618 10.125,619 10.981,620 11.84,621 3.6,625 2,627 2,628 12,630 2,631 17,632 1,637 55,638 20,639 3,640 33,641 57,642 24,643 16,644 4,645 12,646 1,647 3,648 4,650 1,652 4,653 19,654 5,656 3,658 3,659 3,661 1,662 24,663 6,664 3,665 7,666 1,667 2,668 0.667,669 4,674 3,676 1,678 1,679 1,684 1,685 2,687 1,690 1,691 31,694 1,695 3,696 1,697 2,700 2,704 7.3,706 1,707 3,709 16.5,710 9.317,711 7.028,712 3.122,713 2.89,714 1.402,715 0.941,716 8.101,717 10.072,718 3.818,719 4.357,720 4.868,721 5.378,722 5.946,723 6.099,724 6.453,725 6.771,726 7.109,727 6.919,728 1,729 46,730 11.578,731 4.998,732 8.018,733 21.453,734 17.361,735 2.518,736 78.056,738 1,739 246.24,740 180.084,741 36.022,743 118.118,744 38.564,745 141.52,746 364.359,747 36.022,749 41.99,750 113.715,751 139.256,752 11.517,754 273.986,756 246.24,757 177.541,758 118.118,759 38.564,760 199.156,761 165.203,763 41.99,764 135.551,766 38.564,767 246.24,768 154.14,769 180.084,771 246.24,772 27.805,773 113.715,774 36.022,775 156.682,776 246.24,777 154.14,778 180.084,779 0.569,780 0.328,781 0.172,782 0.098,783 18,784 9,785 0.158,786 9,787 1,788 1.125,789 4.145,790 267.576,791 0.125,792 16,793 149.58,794 1,797 22.858,798 10.987,799 6.33,800 1.924,801 154.14,802 22.255,804 1.275,805 78.705,806 580.464,807 44.5,809 37.259,810 -2.086,811 55.309,812 61.321,813 0.276,814 0.614,815 0.769,816 0.898,817 0.937,818 0.95,819 5.026,820 1.492,821 5.832,822 4.053,823 4.489,824 5.043,825 2.941,826 6.592,827 4.471,828 6.209,829 1.414,830 7.363,831 3.311,832 4.007,833 4.758,834 2.591,835 7.394,836 3.999,837 7.493,838 1.314,839 8.995,840 3.009,841 6.033,842 7.175,843 4.136,844 10.455,845 6.002,846 8.81,847 1.029,848 10.686,849 2.908,850 6.365,851 7.711,852 4.459,853 12.056,854 6.34,855 10.158,856 1,857 12.412,858 2.443,859 7.85,860 9.619,861 5.592,862 14.606,863 7.807,864 11.527,865 0.672,866 14.162,867 2.136,868 8.558,869 10.571,870 6.201,871 16.534,872 8.516,873 12.912,874 0.617,875 15.927,876 1.516,877 9.811,878 12.248,879 7.171,880 18.889,881 9.754,882 3.003,883 -0.117,884 17.704,885 1.188,886 10.701,887 13.432,888 7.909,889 20.966,890 10.642,891 2.886,892 9.487,893 19.489,894 -0.303,895 11.848,896 14.996,897 8.813,898 23.242,899 11.779,900 2.674,901 9.049,902 21.279,903 4.352,904 12.829,905 16.311,906 9.612,907 25.391,908 12.755,909 2.532,910 8.217,911 23.074,912 3.487,913 13.931,914 17.821,915 10.488,916 27.634,917 13.849,918 2.333,919 7.816,920 24.872,921 3.407,922 14.957,923 19.207,924 11.318,925 29.82,926 14.87,927 1.618,928 6.682,929 26.673,930 3.152,931 16.04,932 20.692,933 12.183,934 32.051,935 15.946,936 1.588,937 4.446,938 28.476,939 2.883,940 17.09,941 22.117,942 13.029,943 34.256,944 16.991,945 11841,946 20682,947 21.671,948 37.852,949 49.084,950 52.078,951 50.093,952 48.379,953 48.342,954 63.819,955 11.521,956 132.522,957 47.854,958 5.383,959 5.831,960 6.075,961 5.03,962 5.003,963 7.352,964 3.99,965 16.036,966 4.995,967 16.236,968 1.487,969 1.578,970 1.518,971 1.466,972 1.465,973 1.934,974 0.349,975 4.016,976 1.45,977 4.092,978 4.113,979 4.047,980 4.05,981 7.474,982 4.046,983 3.935,984 3.968,985 3.867,986 3.868,987 7.433,988 3.861,989 3.771,990 3.81,991 3.775,992 3.612,993 7.424,994 3.612,995 3.627,996 3.664,997 3.619,998 3.491,999 6.351,1000 3.493,1001 3.467,1002 3.502,1003 3.492,1004 3.358,1005 4.89,1006 3.349,1007 3.247,1008 3.278,1009 3.351,1010 3.091,1011 4.75,1012 3.043,1013 3.135,1014 3.165,1015 3.06,1016 2.993,1017 4.324,1018 2.991,1019 3.041,1020 3.076,1021 2.931,1022 2.844,1023 4.298,1024 2.85,1025 0.134,1026 0.116,1027 0.19,1028 0.121,1029 0.091,1030 4.437,1031 0.132,1032 3.831,1033 0.072,1034 6.273,1035 0.287,1036 4.001,1037 0.091,1038 3.003,1039 4.352,1040 2.376,1041 9.487,1042 2.995,1043 2.075,1044 2.057,1045 2.157,1046 2.132,1047 1.289,1048 2.141,1049 1.925,1050 1.896,1051 2.055,1052 2.021,1053 1.242,1054 2.032,1055 1.704,1056 1.663,1057 1.872,1058 1.903,1059 1.183,1060 1.898,1061 1.58,1062 1.545,1063 1.736,1064 1.759,1065 0.9,1066 1.755,1067 1.456,1068 1.417,1069 1.637,1070 1.593,1071 0.719,1072 1.609,1073 1.158,1074 1.125,1075 1.354,1076 1.416,1077 0.525,1078 1.422,1079 1.099,1080 1.058,1081 1.306,1082 1.291,1083 0.373,1084 1.283,1085 0.971,1086 0.926,1087 1.194,1088 1.238,1089 0.285,1090 1.205,1091 4.205,1092 5.493,1094 6.974,1096 8.541,1098 10.152,1102 9.349,1103 0.726,1104 4.057,1105 5.292,1108 -1.996,1111 35.884,1112 87.897,1113 195.181,1114 244.591,1115 285.61,1116 297.975,1117 301.975,1118 87.331,1119 7.182,1120 95.5,1121 134.3,1122 18,1123 12.392,1124 4.392,1125 3.644,1126 57.735,1127 120,1128 128,1129 0.218,1130 227.31,1131 400.61,1132 546.395,1133 11871,1135 22.217,1136 0.717,1137 0.572,1138 22.717,1139 17.718,1140 14.974,1141 0.454,1142 0.321,1143 9.916,1144 14.261,1145 9.668,1146 7.995,1147 15.327,1148 10.585,1149 13.096,1150 0.298,1151 0.174,1152 13.346,1153 7.637,1154 10.502,1155 0.191,1156 0.095,1157 10.646,1158 5.207,1159 8.272,1160 0.123,1161 0.053,1162 8.458,1163 3.548,1164 6.915,1165 0.082,1166 0.028,1167 7.14,1168 2.39,1169 0.339,1170 96.503,1171 0.215,1172 29.028,1173 0.609,1174 154,1175 476.12,1176 176.435,1177 475.794,1178 621.92,1179 440,1180 176,1181 421.121,1182 192.843,1183 431.07,1184 622.81,1185 406,1186 8} {0 CHEMBL343561,1 1.582,2 9.385,3 2.604,4 6.781,5 102.921,6 7.047,7 0.231,8 4.027,9 4.152,10 3.503,11 3.537,12 5.13,13 3.475,14 4.569,15 4.756,16 3.797,17 3.896,18 5.692,19 3.792,20 4.905,21 5.14,22 3.872,23 4.04,24 5.957,25 3.916,26 4.983,27 5.229,28 3.944,29 4.026,30 6.086,31 3.922,32 4.959,33 5.186,34 4.073,35 3.985,36 6.374,37 3.913,38 4.888,39 5.104,40 3.958,41 3.994,42 6.11,43 3.915,44 4.923,45 5.142,46 3.946,47 4.061,48 6.072,49 3.959,50 4.976,51 5.21,52 3.918,53 4.1,54 6.213,55 3.96,56 0.048,57 0.735,58 12.944,59 5.437,60 14.751,61 7.117,62 0.284,63 1.144,64 23.414,65 8.818,66 59.457,67 12.064,68 0.522,69 1.421,70 34.013,71 11.035,72 88.774,73 15.4,74 0.475,75 1.455,76 37.533,77 10.91,78 97.349,79 15.509,80 0.898,81 1.393,82 38.747,83 10.256,84 193.085,85 14.222,86 0.621,87 1.356,88 34.431,89 9.897,90 116.923,91 13.62,92 0.441,93 1.412,94 34.757,95 11.064,96 93.438,97 15.15,98 0.62,99 1.456,100 38.25,101 12.618,102 139.077,103 16.754,104 77,105 33,106 0.268,107 0.59,108 0.787,109 0.873,110 0.888,111 0.888,112 3.304,113 1.093,114 -3.38,115 -3.37,116 -3.22,117 35.2,118 2,119 4,120 1,122 1,123 2,125 5,126 1,129 3,134 1,135 1,136 11,139 1,141 3,142 3,143 1,144 12,145 1,148 3,150 2,151 2,152 4,155 7,160 5,161 1,164 5,167 2,172 2,173 5,176 2,178 7,179 1,181 3,182 1,185 6,188 1,189 1,190 5,193 6,194 1,197 7,198 1,201 4,204 10,205 3,207 1,208 5,210 1,212 4,214 11,215 3,219 3,224 3,226 10,227 3,229 1264,230 16.999,231 16.999,232 16.999,233 16.999,234 16.999,235 15.781,236 13.912,237 10.432,238 17.119,239 12.721,240 12.721,241 12.721,242 12.721,243 12.721,244 10.857,245 11.347,246 4.814,247 12.893,248 4.173,249 2.272,250 1.109,251 0.597,252 0.509,253 0.509,254 3.946,256 1,257 1,258 1,259 472,260 5.05,262 108.984,265 1.385,266 38.849,268 1,269 0.83,270 0.83,271 1,272 1,273 0.83,274 0.5,275 0.86,276 57,277 244,278 4.091,279 3.833,280 6.15,281 3.901,282 2.916,283 3.475,284 2.376,285 9.064,286 2.864,287 3.891,288 3.69,289 5.859,290 3.657,291 2.671,292 3.186,293 1.969,294 8.04,295 2.622,296 3.779,297 3.531,298 5.31,299 3.503,300 2.496,301 2.966,302 1.891,303 6.86,304 2.509,305 3.604,306 3.282,307 5.247,308 3.344,309 2.339,310 2.756,311 0.351,312 6.538,313 2.343,314 3.103,315 2.732,316 4.617,317 2.924,318 1.908,319 2.118,320 0.144,321 4.865,322 1.926,323 2.926,324 2.245,325 4.076,326 2.518,327 1.518,328 2.077,330 3.512,331 1.512,332 2.656,333 2.11,334 3.705,335 2.384,336 1.413,337 1.61,339 3.002,340 1.348,341 2.5,342 1.971,343 3.534,344 2.103,345 1.132,346 1.5,348 2.608,349 1.087,350 2.37,351 1.491,352 3.247,353 2,354 1,355 1.285,356 2.136,357 1,358 1.877,359 1,360 2.936,361 1.601,362 0.659,363 0.745,364 1.206,365 0.599,366 1.399,367 0.746,368 2.857,369 1.363,370 0.361,371 0.367,372 0.516,373 0.361,374 1.138,375 0.574,376 2.431,377 0.897,378 -0.087,379 -0.098,380 -0.217,381 -0.086,382 0.809,383 0.464,384 2.168,385 0.537,386 -0.387,387 -0.41,388 -0.702,389 -0.344,390 0.733,391 0.361,392 1.794,393 0.499,394 -0.532,395 -0.606,396 -1.216,397 -0.538,398 0.593,399 0.088,400 1.571,401 0.279,402 -0.764,403 -0.991,405 -1.76,406 -0.791,407 12.467,408 0.479,409 0.633,410 0.024,411 25.5,412 0.981,413 10.5,414 0.404,415 15,416 0.577,417 28.15,418 1.083,419 30.733,420 0.569,421 20.031,422 0.77,423 4.552,424 0.175,425 7.814,426 0.301,427 0.254,429 0.281,430 0.744,431 1.327,432 0.952,433 1.17,434 0.652,435 1.118,436 0.449,437 1.329,438 0.931,439 1.211,440 0.469,441 1.191,442 0.883,443 1.02,444 0.932,445 0.973,446 0.937,447 1.035,448 1.221,449 1.053,450 0.861,451 0.896,452 1.202,453 0.916,454 1.253,455 0.968,456 0.862,457 0.85,458 1.218,459 0.833,460 1.444,461 0.943,462 0.976,463 0.86,464 1.439,465 0.925,466 1.268,467 1.026,468 0.94,469 0.951,470 1.259,471 0.999,472 0.977,473 0.946,474 1.011,475 1,476 0.982,477 1.015,478 6,479 0.144,480 2.444,481 1.688,482 1.431,483 0.729,484 0.592,485 0.543,486 0.329,487 0.234,488 6464,489 19384,490 1.851,491 51.9,492 9,493 9,494 4,495 2,496 2,497 2,498 1.7,499 1.696,500 3.204,501 1.735,502 1,503 1,506 85.447,507 1.582,508 3.483,509 4.646,510 5.157,511 5.245,512 5.245,513 2.643,514 4.287,515 4.67,516 3.394,517 1103,518 8.143,519 14462.6,521 1,522 1,523 310.764,524 1.534,525 4.599,526 0.231,527 0.008,528 0.074,529 0.05,530 0.041,531 0.019,532 0.016,533 0.015,534 0.01,535 0.009,536 0.472,537 0.33,538 0.88,539 2.55,540 127.274,541 -0.075,542 -0.039,543 -0.059,544 -0.019,545 -0.057,546 -0.001,547 0.217,548 -0.176,549 -0.047,550 -0.159,551 0.139,552 -0.131,553 0.037,554 0.008,555 -0.052,556 -0.051,557 -0.058,558 -0.061,559 -0.108,560 -0.085,561 0.04,562 -0.014,563 -0.105,564 0.023,565 0.139,566 0.013,567 0.124,568 0.045,569 0.198,570 0.08,571 -0.138,572 0.085,573 -0.047,574 0.036,575 -0.123,576 0.006,577 -0.151,578 -0.021,579 -0.044,580 -0.019,581 -0.113,582 -0.028,583 0.041,584 0.037,585 -0.044,586 -0.012,587 0.088,588 -0.026,589 2.781,590 5.614,591 0.231,592 23.633,593 1.001,594 1.132,595 2.153,596 4.635,597 0.637,598 3.296,599 3.526,600 3.638,601 3.761,602 3.871,603 3.761,604 3.829,605 3.871,606 3.761,607 3.584,608 6.124,609 0.591,610 380.56,611 3.296,612 4.779,613 5.557,614 6.382,615 7.185,616 8.014,617 8.828,618 9.66,619 10.48,620 11.313,621 3.7,625 2,628 5,630 1,631 6,637 54,638 9,639 1,640 26,641 54,642 19,643 6,644 1,645 5,647 1,648 1,650 3,652 6,653 9,654 10,655 1,656 3,658 3,659 3,660 1,661 1,662 28,663 6,664 3,665 7,666 1,667 2,668 1,669 4,674 1,678 2,679 1,684 1,685 1,687 1,688 2,690 1,691 26,694 1,695 5,696 1,697 2,700 3,704 7.4,706 1,707 3,709 15.333,710 9.567,711 6.139,712 3.344,713 1.046,714 1.17,715 0.871,716 10.372,717 7.192,718 3.497,719 3.882,720 4.139,721 4.462,722 4.832,723 4.573,724 4.766,725 5.026,726 5.121,727 5.028,728 1,729 34,730 9.743,731 4.033,732 8.092,733 18.093,734 14.111,735 2.592,736 67.389,738 1,739 293.325,740 128.138,741 36.022,743 118.118,744 38.564,745 89.574,746 411.443,747 36.022,748 17.65,749 47.059,750 47.381,751 139.256,752 3.186,754 321.07,756 293.325,757 125.596,758 118.118,759 38.564,760 246.24,761 165.203,763 64.71,764 60.886,766 38.564,767 293.325,768 154.14,769 128.138,771 293.325,772 24.543,773 65.032,774 36.022,775 156.682,776 293.325,777 154.14,778 128.138,779 0.557,780 0.308,781 0.154,782 0.085,783 10,784 7,785 0.204,786 11,788 1,789 3.612,790 191.133,792 6,793 118.211,794 1,797 22.521,798 11.974,799 8.623,801 154.14,802 9.304,804 0.887,805 78.705,806 575.602,807 32,809 36.133,810 -1.825,811 54.076,812 61.152,813 0.275,814 0.605,815 0.807,816 0.896,817 0.911,818 0.911,819 4.696,820 1.132,821 5.517,822 3.002,823 4.205,824 4.564,825 3.124,826 6.225,827 4.182,828 5.833,829 1,830 7.024,831 2.608,832 3.761,833 4.227,834 2.848,835 6.957,836 3.75,837 7.082,838 0.659,839 8.628,840 2.136,841 5.7,842 6.432,843 4.347,844 9.965,845 5.656,846 8.355,847 0.361,848 10.287,849 1.206,850 6.019,851 6.794,852 4.665,853 11.469,854 5.979,855 9.656,856 -0.087,857 11.979,858 0.516,859 7.452,860 8.562,861 5.772,862 13.99,863 7.382,864 10.972,865 -0.387,866 13.695,867 -0.217,868 8.124,869 9.228,870 6.354,871 15.835,872 8.049,873 12.302,874 -0.532,875 15.427,876 -0.702,877 9.34,878 10.82,879 7.306,880 18.162,881 9.239,882 2.916,883 -0.764,884 17.171,885 -1.216,886 10.19,887 11.642,888 8.019,889 20.174,890 10.077,891 2.671,892 9.064,893 18.924,894 -1.76,895 11.306,896 13.143,897 8.908,898 22.419,899 11.17,900 2.496,901 8.04,902 20.685,903 3.475,904 12.248,905 14.062,906 9.689,907 24.515,908 12.096,909 2.339,910 6.86,911 22.452,912 3.186,913 13.321,914 15.505,915 10.553,916 26.726,917 13.147,918 1.908,919 6.538,920 24.223,921 2.966,922 14.312,923 16.492,924 11.371,925 28.868,926 14.12,927 1.518,928 4.865,929 26,930 2.756,931 15.367,932 17.892,933 12.228,934 31.065,935 15.154,936 1.413,937 3.512,938 27.779,939 2.118,940 16.385,941 18.933,942 13.065,943 33.231,944 16.152,945 6923,946 12121,947 16.008,948 34.375,949 37.314,950 40.291,951 39.231,952 36.851,953 36.825,954 44.171,955 13.463,956 96.691,957 36.342,958 5.047,959 5.833,960 5.952,961 4.921,962 4.916,963 6.475,964 3.99,965 15.47,966 4.864,967 17.3,968 1.435,969 1.55,970 1.509,971 1.417,972 1.416,973 1.699,974 0.518,975 3.719,976 1.398,977 3.953,978 3.99,979 3.883,980 3.875,981 7.474,982 3.869,983 3.803,984 3.849,985 3.776,986 3.667,987 7.432,988 3.663,989 3.743,990 3.789,991 3.676,992 3.596,993 7.423,994 3.587,995 3.566,996 3.617,997 3.554,998 3.408,999 6.351,1000 3.403,1001 3.313,1002 3.37,1003 3.402,1004 3.12,1005 4.752,1006 3.107,1007 3.239,1008 3.271,1009 3.177,1010 3.07,1011 4.325,1012 3.032,1013 3.098,1014 3.185,1015 2.931,1016 2.867,1017 4.236,1018 2.85,1019 3.039,1020 3.076,1021 2.826,1022 2.795,1023 4.1,1024 2.822,1025 0.157,1026 0.147,1027 0.237,1028 0.15,1029 0.112,1030 4.091,1031 0.134,1032 3.833,1033 0.091,1034 6.15,1035 0.349,1036 3.901,1037 0.11,1038 2.916,1039 3.475,1040 2.376,1041 9.064,1042 2.864,1043 1.927,1044 1.897,1045 2.059,1046 2.032,1047 1.323,1048 2.04,1049 1.782,1050 1.729,1051 2.014,1052 1.942,1053 1.242,1054 1.966,1055 1.698,1056 1.655,1057 1.871,1058 1.896,1059 1.183,1060 1.895,1061 1.525,1062 1.476,1063 1.725,1064 1.729,1065 0.901,1066 1.735,1067 1.287,1068 1.218,1069 1.628,1070 1.523,1071 0.778,1072 1.557,1073 1.157,1074 1.121,1075 1.43,1076 1.418,1077 0.536,1078 1.432,1079 1.09,1080 1.005,1081 1.354,1082 1.368,1083 0.525,1084 1.381,1085 0.928,1086 0.9,1087 1.181,1088 1.24,1089 0.267,1090 1.201,1091 3.97,1092 5.22,1094 6.642,1096 8.141,1098 9.681,1099 3.972,1102 9.221,1103 2.038,1104 4.028,1105 5.262,1108 -1.633,1111 31.938,1112 85.447,1113 188.079,1114 250.89,1115 278.499,1116 283.254,1117 283.254,1118 124.03,1119 6.146,1120 95.5,1121 134.3,1122 6,1123 11.887,1124 3.322,1125 2.807,1126 75.652,1127 88,1128 102,1129 0.391,1130 208.772,1131 373.83,1132 501.163,1133 2784,1135 19.527,1136 0.751,1137 0.622,1138 20.027,1139 16.168,1140 12.367,1141 0.476,1142 0.364,1143 8.805,1144 11.648,1145 8.49,1146 7.12,1147 12.72,1148 9.475,1149 10.596,1150 0.321,1151 0.209,1152 10.846,1153 6.886,1154 7.649,1155 0.207,1156 0.12,1157 7.793,1158 4.456,1159 5.643,1160 0.134,1161 0.064,1162 5.828,1163 2.69,1164 4.308,1165 0.092,1166 0.035,1167 4.534,1168 1.651,1169 0.603,1170 80.861,1171 0.25,1172 25.058,1173 1.107,1174 118,1175 384.12,1176 140.435,1177 379.285,1178 478.11,1179 348,1180 129,1181 306.121,1182 145.344,1183 310.693,1184 442.62,1185 291,1186 7.538} {0 CHEMBL344255,1 1.59,2 12.579,3 3.416,4 11.668,5 137.51,6 7.755,7 0.45,8 4.29,9 4.394,10 3.854,11 3.797,12 5.517,13 3.797,14 4.783,15 4.923,16 4.179,17 4.155,18 6.084,19 4.121,20 5.088,21 5.278,22 4.209,23 4.28,24 6.274,25 4.216,26 5.16,27 5.375,28 4.184,29 4.226,30 6.32,31 4.178,32 5.129,33 5.33,34 4.364,35 4.224,36 6.581,37 4.21,38 5.174,39 5.363,40 4.382,41 4.292,42 6.483,43 4.285,44 5.256,45 5.44,46 4.398,47 4.353,48 6.569,49 4.345,50 5.255,51 5.436,52 4.456,53 4.416,54 6.698,55 4.381,56 0.168,57 0.917,58 12.74,59 6.08,60 26.226,61 7.269,62 0.606,63 1.421,64 22.932,65 9.806,66 72.254,67 12.515,68 0.841,69 1.782,70 35.184,71 12.866,72 117.432,73 16.723,74 0.918,75 1.817,76 40.578,77 12.712,78 148.047,79 16.794,80 1.246,81 1.79,82 38.739,83 12.079,84 206.389,85 16.423,86 0.997,87 1.903,88 39.504,89 12.362,90 140.438,91 15.892,92 1.18,93 1.977,94 43.858,95 13.524,96 186.791,97 16.591,98 1.337,99 2.014,100 42.499,101 14.893,102 213.87,103 19.18,104 41,105 52,106 0.25,107 0.55,108 0.679,109 0.787,110 0.851,111 0.874,112 3.668,113 0.892,114 -2.87,115 -2.88,116 -2.79,117 41.8,119 2,122 2,123 2,125 14,126 3,127 1,129 3,130 1,134 1,135 1,136 18,138 1,139 1,141 5,142 4,143 1,144 20,148 4,150 3,151 3,152 6,155 12,160 8,161 1,164 8,167 1,172 4,173 10,176 4,178 12,179 1,181 1,182 1,185 14,188 2,189 2,190 10,193 3,194 1,197 13,198 1,200 1,201 7,204 8,205 2,207 3,208 9,210 4,211 1,212 8,213 1,214 14,215 3,219 11,222 3,223 1,224 8,226 19,227 2,229 3452,230 25.275,231 25.275,232 25.275,233 25.275,234 25.275,235 22.375,236 23.66,237 15.481,238 25.545,239 19.771,240 19.771,241 19.771,242 19.771,243 19.771,244 15.449,245 19.976,246 7.483,247 20.161,248 4.476,249 2.569,250 1.747,251 1.06,252 0.657,253 0.507,254 4.348,258 1,259 990,260 5.292,262 491.744,265 1.917,266 60.15,268 0.75,269 0.5,270 0.67,271 0.9,272 0.5,273 0.5,275 0.55,276 84.5,277 478,278 4.127,279 3.834,280 6.187,281 3.927,282 2.942,283 3.626,284 2.376,285 9.196,286 2.89,287 4.024,288 3.709,289 5.968,290 3.75,291 2.76,292 3.474,293 2.206,294 8.493,295 2.729,296 3.919,297 3.597,298 5.378,299 3.54,300 2.563,301 3.448,302 1.983,303 7.046,304 2.505,305 3.875,306 3.552,307 5.355,308 3.497,309 2.509,310 3.203,311 1.922,312 6.968,313 2.478,314 3.773,315 2.819,316 5.293,317 3.411,318 2.414,319 3.008,320 0.815,321 6.752,322 2.4,323 3.554,324 2.759,325 4.967,326 3.188,327 2.207,328 2.735,329 0.381,330 5.846,331 2.145,332 3.502,333 2.731,334 4.884,335 3.13,336 2.148,337 2.685,338 0.249,339 5.649,340 2.067,341 3.381,342 2.454,343 4.668,344 3.004,345 2.025,346 2.627,347 0.088,348 5.169,349 1.966,350 2.93,351 2.033,352 4.209,353 2.529,354 1.535,355 2.087,356 3.816,357 1.521,358 2.915,359 1.907,360 3.824,361 2.484,362 1.491,363 2.079,364 3.189,365 1.478,366 2.579,367 1.742,368 3.618,369 2.304,370 1.329,371 1.545,372 3.075,373 1.284,374 2.5,375 1.491,376 3.524,377 2,378 1,379 1.5,380 2.494,381 1,382 2.5,383 1.438,384 3.414,385 2,386 1,387 1.5,388 2.275,389 1,390 2.5,391 1.258,392 3.247,393 2,394 1,395 1.5,396 2.136,397 1,398 2.296,399 1,400 3.247,401 1.975,402 0.98,403 1.163,405 2.136,406 0.962,407 17.533,408 0.461,409 0.876,410 0.023,411 48,412 1.263,413 24.5,414 0.645,415 23.5,416 0.618,417 32.916,418 0.866,419 41.867,420 0.625,421 45.94,422 1.209,423 10.287,424 0.271,425 8.009,426 0.211,427 0.114,429 0.285,430 0.807,431 1.192,432 0.793,433 1.041,434 0.686,435 0.927,436 0.544,437 1.204,438 0.906,439 1.167,440 0.501,441 1.132,442 0.901,443 1.076,444 1.082,445 1.116,446 0.968,447 1.141,448 1.228,449 1.072,450 1.08,451 0.983,452 1.186,453 0.984,454 0.826,455 1.08,456 0.795,457 0.92,458 0.731,459 0.855,460 1.244,461 1.066,462 1.014,463 0.96,464 1.259,465 0.925,466 1.547,467 0.957,468 1.15,469 0.89,470 1.586,471 0.909,472 0.894,473 1.024,474 0.955,475 1.025,476 0.864,477 1.009,478 8,479 0.31,480 3.333,481 1.625,482 2.084,483 1.16,484 0.897,485 0.839,486 0.604,487 0.392,488 21282,489 67905,490 1.995,491 43.3,493 20,494 5,496 4,498 1.797,499 1.869,500 3.605,501 2.214,506 106.534,507 1.59,508 3.498,509 4.319,510 5.006,511 5.409,512 5.559,513 3.072,514 4.484,515 5.216,516 3.822,517 2687,518 9.247,519 46532.6,523 406.428,524 1.384,525 5.178,526 0.2,527 0.006,528 0.064,529 0.032,530 0.043,531 0.02,532 0.015,533 0.014,534 0.009,535 0.006,536 0.408,537 0.17,538 0.63,539 1.111,540 211.16,541 -0.104,542 0.004,543 -0.006,544 0.046,545 -0.085,546 0.048,547 0.211,548 -0.07,549 -0.058,550 -0.121,551 0.123,552 -0.154,553 -0.011,554 -0.035,555 -0.139,556 -0.124,557 -0.096,558 -0.163,559 -0.185,560 -0.081,561 -0.067,562 -0.036,563 -0.159,564 -0.022,565 0.24,566 -0.065,567 0.214,568 0.024,569 0.298,570 0.096,571 -0.122,572 -0.015,573 -0.018,574 -0.024,575 -0.108,576 0.001,577 -0.28,578 0.052,579 -0.13,580 0.05,581 -0.241,582 0.011,583 0.159,584 -0.019,585 0.02,586 -0.037,587 0.189,588 -0.041,589 2.892,590 6.34,591 0.474,592 47.158,593 1.016,594 1.125,595 1.642,596 2.696,597 0.658,598 3.714,599 3.97,600 4.111,601 4.277,602 4.5,603 4.407,604 4.489,605 4.625,606 4.644,607 4.615,608 8.052,609 0.641,610 519.6,611 3.714,612 5.22,613 6.014,614 6.845,615 7.659,616 8.492,617 9.316,618 10.151,619 10.98,620 11.818,621 4.5,625 3,628 14,630 4,631 18,634 1,637 67,638 22,639 3,640 40,641 69,642 28,643 18,644 4,645 14,647 3,648 3,652 4,653 22,654 6,656 4,658 4,659 4,662 29,663 10,664 5,665 10,667 3,668 1,669 7,674 3,678 2,679 1,683 1,684 1,685 3,691 38,694 2,695 4,697 3,698 1,700 2,704 10.4,706 2,707 4,708 1,709 20.333,710 11.317,711 8.556,712 3.649,713 1.886,714 1.261,715 0.915,716 11.15,717 9.118,718 3.989,719 4.472,720 4.834,721 5.234,722 5.726,723 5.485,724 5.633,725 5.946,726 6.116,727 6.077,728 1,729 51,730 14.211,731 6.099,732 8.158,733 25.855,734 20.403,735 2.658,736 101,739 282.506,740 171.073,741 54.032,743 196.946,745 171.073,746 479.453,747 54.032,749 65.799,750 132.667,751 196.266,752 20.557,753 6.763,754 282.506,756 282.506,757 225.105,758 196.946,760 235.422,761 244.031,763 65.799,764 159.306,767 282.506,768 250.979,769 171.073,771 282.506,772 38.406,773 132.667,774 54.032,775 196.946,776 282.506,777 250.979,778 171.073,779 0.567,780 0.304,781 0.153,782 0.093,783 19,784 10,785 0.188,786 13,788 1,789 4.752,790 343.922,792 18,793 184.666,797 28.697,798 14.764,799 10.2,801 250.979,802 24.054,804 2.193,805 139.399,806 704.558,807 53,809 49.611,810 -3.403,811 68.083,812 75.358,813 0.262,814 0.577,815 0.712,816 0.825,817 0.892,818 0.916,819 5.19,820 2.025,821 5.964,822 5.649,823 4.654,824 5.159,825 3.496,826 6.658,827 4.616,828 6.352,829 1.535,830 7.453,831 5.169,832 4.111,833 4.745,834 3.1,835 7.31,836 4.069,837 7.611,838 1.491,839 9.035,840 3.816,841 6.142,842 7.148,843 4.735,844 10.335,845 6.067,846 8.893,847 1.329,848 10.671,849 3.189,850 6.365,851 7.43,852 4.964,853 11.789,854 6.286,855 10.2,856 1,857 12.342,858 3.075,859 7.866,860 9.366,861 6.166,862 14.318,863 7.76,864 11.523,865 1,866 14.037,867 2.494,868 8.459,869 9.972,870 6.673,871 16.138,872 8.347,873 12.857,874 1,875 15.751,876 2.275,877 9.721,878 11.696,879 7.688,880 18.471,881 9.586,882 2.942,883 0.98,884 17.479,885 2.136,886 10.515,887 12.489,888 8.341,889 20.476,890 10.37,891 2.76,892 9.196,893 19.218,894 2.136,895 11.659,896 14.086,897 9.266,898 22.727,899 11.495,900 2.563,901 8.493,902 20.967,903 3.626,904 12.566,905 15.006,906 10,907 24.827,908 12.389,909 2.509,910 7.046,911 22.723,912 3.474,913 13.654,914 16.515,915 10.882,916 27.046,917 13.46,918 2.414,919 6.968,920 24.487,921 3.448,922 14.625,923 17.525,924 11.663,925 29.194,926 14.416,927 2.207,928 6.752,929 26.256,930 3.203,931 15.688,932 18.971,933 12.525,934 31.401,935 15.462,936 2.148,937 5.846,938 28.031,939 3.008,940 16.695,941 20.049,942 13.333,943 33.575,944 16.453,945 20916,946 37528,947 26.235,948 44.097,949 58.686,950 60.446,951 59.209,952 57.772,953 57.789,954 74.676,955 20.039,956 152.957,957 56.705,958 5.095,959 5.834,960 5.989,961 5.005,962 4.942,963 6.626,964 4.124,965 15.655,966 4.89,967 20.584,968 1.467,969 1.511,970 1.48,971 1.444,972 1.445,973 1.867,974 0.501,975 3.824,976 1.418,977 3.985,978 4.017,979 3.915,980 3.899,981 7.475,982 3.897,983 3.911,984 3.94,985 3.84,986 3.848,987 7.438,988 3.842,989 3.899,990 3.927,991 3.827,992 3.837,993 7.429,994 3.83,995 3.734,996 3.773,997 3.67,998 3.537,999 7.423,1000 3.564,1001 3.634,1002 3.67,1003 3.567,1004 3.399,1005 6.471,1006 3.43,1007 3.472,1008 3.501,1009 3.401,1010 3.232,1011 6.351,1012 3.259,1013 3.334,1014 3.35,1015 3.26,1016 3.093,1017 4.782,1018 3.124,1019 3.068,1020 3.096,1021 2.989,1022 2.861,1023 4.747,1024 2.875,1025 0.103,1026 0.096,1027 0.155,1028 0.098,1029 0.074,1030 4.127,1031 0.091,1032 3.834,1033 0.059,1034 6.187,1035 0.23,1036 3.927,1037 0.072,1038 2.942,1039 3.626,1040 2.376,1041 9.196,1042 2.89,1043 1.931,1044 1.902,1045 2.058,1046 2.042,1047 1.255,1048 2.044,1049 1.914,1050 1.888,1051 2.036,1052 2.006,1053 1.217,1054 2.017,1055 1.903,1056 1.875,1057 2.03,1058 1.99,1059 1.132,1060 2.004,1061 1.648,1062 1.607,1063 1.795,1064 1.87,1065 0.93,1066 1.849,1067 1.527,1068 1.487,1069 1.698,1070 1.789,1071 0.864,1072 1.757,1073 1.371,1074 1.332,1075 1.593,1076 1.638,1077 0.772,1078 1.612,1079 1.234,1080 1.204,1081 1.47,1082 1.498,1083 0.613,1084 1.481,1085 0.992,1086 0.949,1087 1.224,1088 1.256,1089 0.32,1090 1.239,1091 4.394,1092 5.666,1094 7.107,1096 8.621,1098 10.172,1102 18.516,1103 -0.473,1105 7.472,1106 5.264,1108 -2.234,1111 42.916,1112 106.534,1113 234.338,1114 289.351,1115 335.408,1116 362.428,1117 372.428,1118 131.154,1119 7.232,1120 154.06,1121 154.06,1122 18,1123 12.387,1124 4.524,1125 3.807,1126 79.579,1127 174,1128 202,1129 0.205,1130 267.476,1131 483.39,1132 644.402,1133 12500,1135 27.33,1136 0.719,1137 0.54,1138 27.33,1139 20.502,1140 18.296,1141 0.457,1142 0.297,1143 11.712,1144 17.559,1145 11.51,1146 9.54,1147 18.296,1148 11.888,1149 16.205,1150 0.312,1151 0.163,1152 16.205,1153 8.492,1154 12.113,1155 0.202,1156 0.092,1157 12.113,1158 5.527,1159 9.098,1160 0.128,1161 0.051,1162 9.098,1163 3.601,1164 7.836,1165 0.088,1166 0.028,1167 7.836,1168 2.453,1169 0.321,1170 115.417,1171 0.195,1172 34.523,1173 0.565,1174 184,1175 647.976,1176 206.878,1177 613.557,1178 792.52,1179 566,1180 204,1181 537.694,1182 223.561,1183 540.506,1184 772.57,1185 506,1186 5.456} {0 CHEMBL344411,1 1.589,2 11.257,3 2.764,4 7.637,5 126.701,6 7.357,7 0.333,8 4.26,9 4.375,10 3.77,11 3.722,12 5.461,13 3.716,14 4.778,15 4.942,16 4.135,17 4.084,18 6.056,19 4.051,20 5.101,21 5.288,22 4.137,23 4.238,24 6.28,25 4.171,26 5.2,27 5.446,28 4.163,29 4.213,30 6.327,31 4.149,32 5.132,33 5.332,34 4.296,35 4.189,36 6.603,37 4.174,38 5.159,39 5.36,40 4.328,41 4.288,42 6.401,43 4.26,44 5.277,45 5.467,46 4.382,47 4.364,48 6.564,49 4.339,50 5.335,51 5.543,52 4.398,53 4.402,54 6.739,55 4.354,56 0.159,57 0.901,58 13.781,59 5.999,60 24.973,61 7.693,62 0.598,63 1.376,64 25.248,65 9.623,66 79.586,67 13.175,68 0.993,69 1.703,70 37.648,71 12.316,72 124.42,73 16.634,74 0.875,75 1.776,76 43.87,77 12.559,78 145.324,79 18.624,80 1.414,81 1.712,82 40.3,83 10.701,84 238.806,85 15.507,86 0.894,87 1.817,88 40.103,89 12.385,90 133.649,91 17.32,92 1.046,93 1.951,94 45.632,95 13.785,96 166.237,97 18.688,98 1.621,99 2.021,100 49.752,101 14.738,102 261.76,103 20.524,104 98,105 49,106 0.253,107 0.576,108 0.71,109 0.786,110 0.821,111 0.831,112 3.588,113 0.92,114 -2.48,115 -2.51,116 -2.45,117 37.9,118 3,119 2,122 1,123 2,124 1,125 9,126 2,127 1,129 3,130 1,134 1,135 1,136 12,138 1,139 3,141 5,142 4,143 1,144 17,148 2,150 3,151 3,152 6,155 9,160 8,161 1,164 10,167 1,172 4,173 7,176 4,178 10,179 1,181 1,182 1,185 12,188 2,189 2,190 8,193 5,194 1,197 14,198 1,200 1,201 8,204 8,205 2,207 3,208 7,210 4,211 1,212 6,213 1,214 14,215 3,219 9,222 3,223 1,224 6,226 18,227 2,229 2605,230 22.239,231 22.239,232 22.239,233 22.239,234 22.239,235 20.09,236 23.664,237 13.31,238 22.524,239 17.792,240 17.792,241 17.792,242 17.792,243 17.792,244 14.531,245 22.141,246 6.432,247 18.231,248 4.456,249 2.437,250 1.596,251 1.122,252 0.898,253 0.838,254 4.249,258 1,259 792,260 5.701,262 300.927,265 1.579,266 59.162,268 1,269 0.5,270 0.83,271 1,272 1,273 0.67,275 0.71,276 78.5,277 394,278 4.178,279 3.847,280 6.448,281 4.074,282 3.136,283 3.626,284 2.376,285 10.161,286 2.934,287 4.103,288 3.754,289 6.184,290 3.919,291 2.933,292 3.474,293 2.189,294 9.185,295 2.88,296 4.022,297 3.64,298 5.965,299 3.742,300 2.75,301 3.25,302 1.982,303 8.479,304 2.724,305 3.873,306 3.567,307 5.372,308 3.509,309 2.526,310 3.153,311 1.922,312 6.993,313 2.482,314 3.765,315 3.167,316 5.293,317 3.41,318 2.413,319 2.977,320 0.427,321 6.752,322 2.4,323 3.518,324 2.817,325 4.892,326 3.175,327 2.182,328 2.685,329 0.333,330 5.682,331 2.142,332 3.422,333 2.731,334 4.884,335 3.052,336 2.077,337 2.651,338 0.174,339 5.608,340 1.997,341 3.379,342 2.453,343 4.667,344 2.999,345 2.012,346 2.534,347 0.026,348 5.16,349 1.964,350 2.929,351 2.033,352 4.199,353 2.525,354 1.527,355 2.086,356 3.779,357 1.519,358 2.571,359 1.902,360 3.812,361 2.298,362 1.323,363 1.534,364 3.122,365 1.279,366 2.5,367 1.491,368 3.526,369 2,370 1,371 1.5,372 2.471,373 1,374 2.5,375 1.438,376 3.414,377 2,378 1,379 1.5,380 2.275,381 1,382 2.288,383 1,384 3.247,385 1.964,386 0.962,387 1.148,388 2.136,389 0.952,390 1.691,391 1,392 3.078,393 1.344,394 0.34,395 0.408,396 0.728,397 0.333,398 1.354,399 0.814,400 2.8,401 1.09,402 0.14,403 0.159,405 0.347,406 0.132,407 16.033,408 0.458,409 1.161,410 0.033,411 40,412 1.143,413 18.5,414 0.529,415 21.5,416 0.614,417 35.157,418 1.004,419 40.367,420 0.612,421 38.883,422 1.111,423 8.292,424 0.237,425 8.133,426 0.232,427 0.218,428 0.031,429 0.281,430 0.813,431 1.328,432 0.844,433 1.167,434 0.705,435 1.028,436 0.501,437 1.231,438 0.792,439 1.169,440 0.455,441 1.067,442 1.133,443 1.089,444 1.224,445 1.125,446 1.015,447 1.192,448 1,449 1.065,450 0.882,451 0.931,452 1.032,453 0.879,454 1.057,455 1.005,456 0.989,457 0.863,458 1.061,459 0.885,460 1.042,461 1.065,462 0.932,463 0.99,464 1.074,465 0.935,466 1.341,467 1.117,468 1.086,469 1.047,470 1.362,471 1.007,472 1.034,473 0.856,474 1.004,475 0.871,476 1.021,477 0.914,478 10,479 0.429,480 3.333,481 2.188,482 1.933,483 1.236,484 1.06,485 0.892,486 0.724,487 0.471,488 15396,489 49858,490 1.895,491 47,493 13,494 5,496 13,498 1.778,499 1.728,500 3.452,501 2.304,503 1,506 104.847,507 1.589,508 3.608,509 4.449,510 4.923,511 5.146,512 5.207,513 2.834,514 4.379,515 5.1,516 3.656,517 2175.4,518 9.017,519 35254.5,523 398.93,524 1.67,525 5.02,526 0.278,527 0.009,528 0.068,529 0.048,530 0.04,531 0.023,532 0.018,533 0.015,534 0.012,535 0.008,536 0.519,537 0.17,538 0.63,539 1.594,540 188.576,541 -0.101,542 -0.04,543 -0.008,544 0.015,545 -0.095,546 0.027,547 0.253,548 -0.058,549 0.097,550 -0.072,551 0.173,552 -0.037,553 -0.111,554 -0.023,555 -0.261,556 -0.115,557 -0.144,558 -0.218,559 -0.085,560 -0.096,561 0.112,562 0.015,563 -0.072,564 0.099,565 0.109,566 0.053,567 0.027,568 0.062,569 0.162,570 0.035,571 -0.058,572 0.001,573 0.039,574 -0.004,575 -0.063,576 0.035,577 -0.199,578 -0.091,579 -0.09,580 -0.064,581 -0.161,582 -0.05,583 0.072,584 0.145,586 0.093,587 0.107,588 0.044,589 2.889,590 6.232,591 0.343,592 38.327,593 1.015,594 1.133,595 1.252,596 1.567,597 0.634,598 3.611,599 3.912,600 3.97,601 4.159,602 4.331,603 4.304,604 4.394,605 4.5,606 4.5,607 4.443,608 7.353,609 0.613,610 485.59,611 3.611,612 5.142,613 5.922,614 6.777,615 7.578,616 8.434,617 9.247,618 10.103,619 10.923,620 11.779,621 4.5,625 3,628 9,630 3,631 12,634 1,637 66,638 16,639 2,640 36,641 67,642 25,643 12,644 3,645 9,647 2,648 2,650 3,652 4,653 16,654 9,655 1,656 4,658 4,659 4,662 31,663 10,664 5,665 10,667 3,668 1,669 7,674 2,678 2,679 1,683 1,684 1,685 2,688 3,691 35,694 2,695 3,697 3,698 1,700 2,702 1,704 10.6,706 2,707 4,708 1,709 20.25,710 12.15,711 7.681,712 3.621,713 1.568,714 1.227,715 0.877,716 10.551,717 8.484,718 3.85,719 4.331,720 4.605,721 5.004,722 5.45,723 5.281,724 5.444,725 5.758,726 5.905,727 5.879,728 1,729 46,730 13.114,731 5.608,732 8.217,733 23.744,734 18.614,735 2.717,736 95.083,739 306.049,740 142.389,741 54.032,743 196.946,745 142.389,746 502.995,747 54.032,748 26.476,749 61.207,750 85.286,751 196.266,752 17.371,753 6.763,754 306.049,756 306.049,757 196.422,758 196.946,760 153.024,761 349.971,763 87.683,764 108.739,767 306.049,768 250.979,769 142.389,771 306.049,772 30.628,773 111.762,774 54.032,775 196.946,776 306.049,777 250.979,778 142.389,779 0.581,780 0.288,781 0.145,782 0.084,783 18,784 11,785 0.179,786 12,788 1,789 4.331,790 305.109,792 12,793 166.77,797 28.148,798 13.119,799 10.799,801 250.979,802 15.028,804 1.445,805 139.399,806 699.417,807 46,809 49.223,810 -3.369,811 66.967,812 74.774,813 0.263,814 0.597,815 0.736,816 0.814,817 0.851,818 0.861,819 5.088,820 2.012,821 5.938,822 5.608,823 4.595,824 5.017,825 3.46,826 6.688,827 4.546,828 6.281,829 1.527,830 7.47,831 5.16,832 4.369,833 4.832,834 3.1,835 7.67,836 4.289,837 7.569,838 1.323,839 9.102,840 3.779,841 6.188,842 6.999,843 4.714,844 10.566,845 6.077,846 8.878,847 1,848 10.79,849 3.122,850 6.673,851 7.447,852 4.964,853 12.296,854 6.519,855 10.208,856 1,857 12.514,858 2.471,859 8.052,860 9.211,861 6.144,862 14.784,863 7.868,864 11.552,865 0.962,866 14.261,867 2.275,868 8.854,869 9.937,870 6.666,871 16.824,872 8.617,873 12.907,874 0.34,875 16.027,876 2.136,877 10.064,878 11.534,879 7.664,880 19.176,881 9.794,882 3.136,883 0.14,884 17.806,885 0.728,886 11.02,887 12.415,888 8.328,889 21.352,890 10.692,891 2.933,892 10.161,893 19.596,894 0.347,895 12.162,896 13.919,897 9.241,898 23.658,899 11.794,900 2.75,901 9.185,902 21.394,903 3.626,904 13.195,905 14.902,906 9.983,907 25.897,908 12.768,909 2.526,910 8.479,911 23.2,912 3.474,913 14.313,914 16.344,915 10.856,916 28.189,917 13.839,918 2.413,919 6.993,920 25.012,921 3.25,922 15.386,923 17.4,924 11.642,925 30.458,926 14.851,927 2.182,928 6.752,929 26.829,930 3.153,931 16.498,932 18.797,933 12.497,934 32.749,935 15.911,936 2.077,937 5.682,938 28.651,939 2.977,940 17.592,941 19.91,942 13.31,943 35.033,944 16.944,945 15726,946 28460,947 22.364,948 41.858,949 53.854,950 55.72,951 53.941,952 52.702,953 52.641,954 65.367,955 18.859,956 145.756,957 51.474,958 5.146,959 5.847,960 6.25,961 5.144,962 5.136,963 6.626,964 4.079,965 16.656,966 4.934,967 24.006,968 1.496,969 1.548,970 1.498,971 1.464,972 1.462,973 1.816,974 0.524,975 4.049,976 1.43,977 3.978,978 4.012,979 3.908,980 3.892,981 7.475,982 3.89,983 3.91,984 3.939,985 3.84,986 3.847,987 7.438,988 3.841,989 3.762,990 3.798,991 3.687,992 3.576,993 7.429,994 3.591,995 3.71,996 3.753,997 3.62,998 3.519,999 7.423,1000 3.534,1001 3.608,1002 3.65,1003 3.516,1004 3.39,1005 6.471,1006 3.415,1007 3.445,1008 3.482,1009 3.355,1010 3.227,1011 6.351,1012 3.249,1013 3.196,1014 3.207,1015 3.134,1016 2.893,1017 4.753,1018 2.945,1019 3.068,1020 3.093,1021 2.984,1022 2.841,1023 4.628,1024 2.863,1025 0.116,1026 0.107,1027 0.179,1028 0.113,1029 0.087,1030 4.178,1031 0.101,1032 3.847,1033 0.066,1034 6.448,1035 0.282,1036 4.074,1037 0.082,1038 3.136,1039 3.626,1040 2.376,1041 10.161,1042 2.934,1043 1.931,1044 1.902,1045 2.058,1046 2.041,1047 1.255,1048 2.044,1049 1.913,1050 1.887,1051 2.034,1052 2.004,1053 1.217,1054 2.016,1055 1.701,1056 1.655,1057 1.946,1058 1.909,1059 1.118,1060 1.915,1061 1.642,1062 1.598,1063 1.794,1064 1.863,1065 0.93,1066 1.846,1067 1.518,1068 1.475,1069 1.694,1070 1.768,1071 0.864,1072 1.745,1073 1.367,1074 1.326,1075 1.591,1076 1.615,1077 0.772,1078 1.602,1079 1.027,1080 1.005,1081 1.417,1082 1.364,1083 0.469,1084 1.308,1085 0.977,1086 0.935,1087 1.417,1088 1.256,1089 0.469,1090 1.308,1091 4.29,1092 5.595,1094 7.05,1096 8.573,1098 10.132,1099 5.054,1102 18.426,1103 -0.441,1105 7.44,1106 5.274,1108 -2.202,1110 -0.795,1111 40.443,1112 104.847,1113 238.12,1114 293.607,1115 324.891,1116 339.646,1117 343.646,1118 155.967,1119 6.917,1120 154.06,1121 154.06,1122 12,1123 12.34,1124 4.087,1125 3.459,1126 87.966,1127 149,1128 155,1129 0.273,1130 254.875,1131 462.67,1132 613.654,1133 7854,1135 26.01,1136 0.743,1137 0.569,1138 26.01,1139 19.908,1140 16.425,1141 0.456,1142 0.307,1143 10.869,1144 15.682,1145 10.517,1146 8.79,1147 16.425,1148 11.039,1149 15.889,1150 0.324,1151 0.182,1152 15.889,1153 8.932,1154 10.282,1155 0.198,1156 0.091,1157 10.282,1158 4.713,1159 8.113,1160 0.129,1161 0.05,1162 8.113,1163 3.144,1164 6.384,1165 0.085,1166 0.027,1167 6.384,1168 2.056,1169 0.424,1170 104.044,1171 0.211,1172 32.032,1173 0.766,1174 170,1175 601.976,1176 194.207,1177 567.146,1178 726.79,1179 520,1180 186,1181 495.513,1182 205.561,1183 496.214,1184 705.31,1185 462,1186 5.398} {0 CHEMBL344578,1 1.594,2 11.069,3 2.928,4 8.574,5 113.866,6 7.538,7 0.4,8 4.064,9 4.177,10 3.612,11 3.627,12 5.212,13 3.577,14 4.575,15 4.733,16 3.904,17 3.984,18 5.758,19 3.896,20 4.909,21 5.128,22 3.953,23 4.102,24 5.998,25 3.991,26 4.949,27 5.172,28 3.976,29 4.063,30 6.078,31 3.968,32 4.936,33 5.148,34 4.141,35 4.048,36 6.357,37 3.978,38 4.935,39 5.148,40 4.049,41 4.044,42 6.192,43 3.978,44 4.928,45 5.139,46 4.001,47 4.077,48 6.13,49 3.995,50 4.911,51 5.119,52 4.009,53 4.133,54 6.189,55 4.014,56 0.056,57 0.747,58 12.057,59 5.471,60 15.87,61 6.8,62 0.272,63 1.188,64 21.597,65 8.999,66 56.311,67 11.704,68 0.525,69 1.519,70 33.11,71 11.621,72 88.905,73 15.358,74 0.496,75 1.526,76 35.361,77 11.348,78 101.693,79 14.845,80 0.763,81 1.489,82 36.344,83 11.428,84 173.901,85 14.701,86 0.629,87 1.498,88 35.204,89 10.83,90 118.79,91 13.869,92 0.551,93 1.481,94 34.591,95 11.147,96 109.887,97 14.199,98 0.5,99 1.476,100 34.546,101 12.814,102 120.683,103 16.177,104 34,105 38,106 0.265,107 0.571,108 0.7,109 0.798,110 0.833,111 0.857,112 3.408,113 1.014,114 -3.82,115 -3.78,116 -3.59,117 40,119 4,122 1,123 2,125 10,126 2,129 3,134 1,135 1,136 15,139 1,141 3,142 3,143 1,144 17,145 1,148 3,150 2,151 2,152 4,155 12,160 4,161 1,164 4,167 5,172 2,173 6,176 2,178 8,179 1,181 4,182 1,185 8,188 1,189 1,190 7,193 5,194 1,197 7,198 1,201 4,204 10,205 3,207 1,208 6,210 1,212 5,214 12,215 3,219 5,224 5,226 12,227 2,229 1721,230 19.405,231 19.405,232 19.405,233 19.405,234 19.405,235 17.436,236 15.983,237 12.073,238 19.525,239 14.794,240 14.794,241 14.794,242 14.794,243 14.794,244 11.876,245 12.605,246 5.703,247 14.965,248 4.188,249 2.345,250 1.568,251 0.973,252 0.764,253 0.618,254 4.074,257 1,258 1,259 652,260 4.796,262 243.315,265 1.589,266 39.813,268 1,269 0.83,270 0.83,271 1,272 1,273 0.83,274 0.5,275 0.86,276 63,277 321,278 4.09,279 3.832,280 6.15,281 3.899,282 2.914,283 3.475,284 2.376,285 9.059,286 2.862,287 3.908,288 3.688,289 5.858,290 3.653,291 2.667,292 3.447,293 1.969,294 8.034,295 2.618,296 3.89,297 3.525,298 5.361,299 3.544,300 2.542,301 3.183,302 1.891,303 7.022,304 2.546,305 3.749,306 3.282,307 5.288,308 3.393,309 2.393,310 2.951,311 0.351,312 6.741,313 2.389,314 3.524,315 2.734,316 4.96,317 3.18,318 2.154,319 2.698,320 0.144,321 5.793,322 2.194,323 2.933,324 2.696,325 4.113,326 2.531,327 1.534,328 2.09,330 3.595,331 1.524,332 2.912,333 2.113,334 3.71,335 2.485,336 1.483,337 2.076,339 3.129,340 1.484,341 2.659,342 1.974,343 3.628,344 2.384,345 1.413,346 1.615,348 3.002,349 1.349,350 2.5,351 1.61,352 3.534,353 2.123,354 1.154,355 1.5,356 2.645,357 1.106,358 2.5,359 1.491,360 3.247,361 2,362 1,363 1.5,364 2.136,365 1,366 2.385,367 1.007,368 3.247,369 2,370 1,371 1.309,372 2.136,373 1,374 1.879,375 1,376 3.059,377 1.624,378 0.681,379 0.76,380 1.336,381 0.623,382 1.775,383 1,384 2.904,385 1.536,386 0.53,387 0.618,388 1.135,389 0.527,390 1.137,391 0.588,392 2.592,393 0.873,394 -0.121,395 -0.142,396 -0.309,397 -0.12,398 0.809,399 0.469,400 2.255,401 0.528,402 -0.395,403 -0.425,405 -0.711,406 -0.35,407 13.967,408 0.482,409 0.596,410 0.021,411 33.5,412 1.155,413 16.5,414 0.569,415 17,416 0.586,417 27.045,418 0.933,419 32.233,420 0.586,421 26.762,422 0.923,423 6.534,424 0.225,425 7.456,426 0.257,427 0.155,429 0.251,430 0.735,431 1.167,432 0.894,433 1.041,434 0.641,435 0.987,436 0.465,437 1.297,438 0.967,439 1.206,440 0.496,441 1.197,442 0.913,443 0.995,444 0.964,445 0.967,446 0.974,447 1.036,448 1.338,449 1.034,450 0.959,451 0.917,452 1.316,453 0.967,454 1.024,455 1.082,456 0.818,457 0.957,458 1.004,459 0.9,460 1.45,461 0.972,462 0.946,463 0.861,464 1.439,465 0.898,466 1.517,467 0.893,468 0.987,469 0.837,470 1.496,471 0.904,472 0.848,473 1.03,474 0.999,475 1.079,476 0.872,477 1.052,478 5.5,479 0.153,480 2.444,481 1.375,482 1.582,483 0.764,484 0.552,485 0.552,486 0.309,487 0.206,488 9998,489 30309,490 1.957,491 47.3,492 2,493 14,494 4,495 2,496 2,497 2,498 1.726,499 1.832,500 3.426,501 1.629,502 1,503 1,506 87.656,507 1.594,508 3.436,509 4.213,510 4.808,511 5.018,512 5.163,513 2.823,514 4.444,515 4.827,516 3.609,517 1465.3,518 8.447,519 20864.3,521 1,522 1,523 317.975,524 1.384,525 4.785,526 0.183,527 0.006,528 0.064,529 0.036,530 0.043,531 0.018,532 0.014,533 0.014,534 0.008,535 0.006,536 0.392,537 0.33,538 0.88,539 1.541,540 148.368,541 -0.078,542 0.007,543 -0.057,544 0.008,545 -0.058,546 0.024,547 0.202,548 -0.192,549 -0.114,550 -0.202,551 0.114,552 -0.195,553 0.025,554 0.02,555 -0.081,556 -0.054,557 -0.079,558 -0.078,559 -0.167,560 -0.05,561 -0.044,562 -0.024,563 -0.159,564 -0.032,565 0.234,566 -0.101,567 0.156,568 -0.031,569 0.275,570 0.039,571 -0.118,572 0.033,573 -0.014,574 0.018,575 -0.103,576 0.013,577 -0.23,578 0.092,579 -0.065,580 0.063,581 -0.181,582 0.025,583 0.107,584 -0.057,585 -0.027,586 -0.072,587 0.142,588 -0.054,589 2.79,590 5.733,591 0.414,592 29.712,593 1.003,594 1.122,595 2.589,596 6.705,597 0.666,598 3.434,599 3.664,600 3.807,601 3.951,602 4.111,603 3.951,604 4.007,605 4.094,606 4.06,607 3.97,608 6.883,609 0.626,610 414.57,611 3.434,612 4.92,613 5.707,614 6.529,615 7.338,616 8.163,617 8.979,618 9.806,619 10.627,620 11.455,621 3.6,625 2,628 10,630 2,631 12,637 55,638 15,639 2,640 30,641 56,642 22,643 12,644 2,645 10,647 2,648 2,650 1,652 6,653 15,654 7,656 3,658 3,659 3,661 1,662 26,663 6,664 3,665 7,666 1,667 2,668 1,669 4,674 2,678 2,679 1,684 1,685 2,687 1,690 1,691 29,694 1,695 5,696 1,697 2,700 2,704 7.3,706 1,707 3,709 15.833,710 9.15,711 6.722,712 3.164,713 1.641,714 1.249,715 0.909,716 9.751,717 8.222,718 3.689,719 4.127,720 4.472,721 4.846,722 5.285,723 4.958,724 5.121,725 5.383,726 5.546,727 5.461,728 1,729 38,730 10.839,731 4.559,732 8.042,733 20.123,734 15.902,735 2.542,736 73.722,738 1,739 269.783,740 161.054,741 36.022,743 118.118,744 38.564,745 122.491,746 387.901,747 36.022,749 47.059,750 94.762,751 139.256,752 6.371,754 297.528,756 269.783,757 158.512,758 118.118,759 38.564,760 222.698,761 165.203,763 47.059,764 111.453,766 38.564,767 269.783,768 154.14,769 161.054,771 269.783,772 27.728,773 94.762,774 36.022,775 156.682,776 269.783,777 154.14,778 161.054,779 0.557,780 0.309,781 0.16,782 0.092,783 13,784 7,785 0.196,786 11,788 1,789 4.029,790 227.813,792 12,793 132.881,794 1,797 22.985,798 12.303,799 8.302,801 154.14,802 18.895,804 1.906,805 78.705,806 584.977,807 39,809 36.531,810 -1.9,811 55.192,812 61.737,813 0.276,814 0.594,815 0.729,816 0.832,817 0.868,818 0.893,819 4.875,820 1.413,821 5.645,822 3.129,823 4.344,824 4.812,825 3.124,826 6.337,827 4.324,828 6.017,829 1.154,830 7.133,831 3.002,832 3.761,833 4.331,834 2.848,835 7.008,836 3.75,837 7.265,838 1,839 8.72,840 2.645,841 5.82,842 6.754,843 4.347,844 10.039,845 5.781,846 8.538,847 1,848 10.366,849 2.136,850 6.043,851 6.989,852 4.665,853 11.527,854 6.004,855 9.839,856 0.681,857 12.049,858 2.136,859 7.553,860 8.94,861 5.772,862 14.042,863 7.49,864 11.158,865 0.53,866 13.758,867 1.336,868 8.161,869 9.5,870 6.354,871 15.88,872 8.088,873 12.489,874 -0.121,875 15.484,876 1.135,877 9.422,878 11.238,879 7.306,880 18.197,881 9.328,882 2.914,883 -0.395,884 17.223,885 -0.309,886 10.23,887 11.979,888 8.019,889 20.204,890 10.12,891 2.667,892 9.059,893 18.972,894 -0.711,895 11.37,896 13.592,897 8.908,898 22.441,899 11.242,900 2.542,901 8.034,902 20.729,903 3.475,904 12.285,905 14.452,906 9.689,907 24.534,908 12.137,909 2.393,910 7.022,911 22.492,912 3.447,913 13.369,914 15.978,915 10.553,916 26.739,917 13.203,918 2.154,919 6.741,920 24.26,921 3.183,922 14.343,923 16.924,924 11.371,925 28.877,926 14.155,927 1.534,928 5.793,929 26.033,930 2.951,931 15.403,932 18.385,933 12.228,934 31.071,935 15.196,936 1.483,937 3.595,938 27.81,939 2.698,940 16.409,941 19.398,942 13.065,943 33.234,944 16.181,945 10102,946 17701,947 19.474,948 36.614,949 43.607,950 46.139,951 44.37,952 42.967,953 42.93,954 54.441,955 13.463,956 111.524,957 42.444,958 5.047,959 5.832,960 5.952,961 4.924,962 4.914,963 6.475,964 3.99,965 15.459,966 4.862,967 15.61,968 1.454,969 1.538,970 1.479,971 1.432,972 1.431,973 1.815,974 0.449,975 3.717,976 1.415,977 3.968,978 4.003,979 3.896,980 3.891,981 7.474,982 3.884,983 3.904,984 3.936,985 3.828,986 3.848,987 7.432,988 3.839,989 3.772,990 3.811,991 3.775,992 3.612,993 7.423,994 3.613,995 3.637,996 3.68,997 3.62,998 3.47,999 6.351,1000 3.473,1001 3.442,1002 3.486,1003 3.478,1004 3.301,1005 4.763,1006 3.291,1007 3.244,1008 3.273,1009 3.311,1010 3.087,1011 4.739,1012 3.038,1013 3.05,1014 3.08,1015 2.954,1016 2.849,1017 4.323,1018 2.855,1019 3.022,1020 3.076,1021 2.892,1022 2.781,1023 4.129,1024 2.818,1025 0.136,1026 0.128,1027 0.205,1028 0.13,1029 0.097,1030 4.09,1031 0.116,1032 3.832,1033 0.079,1034 6.15,1035 0.302,1036 3.899,1037 0.095,1038 2.914,1039 3.475,1040 2.376,1041 9.059,1042 2.862,1043 1.932,1044 1.902,1045 2.065,1046 2.036,1047 1.26,1048 2.045,1049 1.917,1050 1.888,1051 2.05,1052 2,1053 1.224,1054 2.019,1055 1.705,1056 1.664,1057 1.873,1058 1.904,1059 1.183,1060 1.899,1061 1.586,1062 1.541,1063 1.776,1064 1.786,1065 0.927,1066 1.785,1067 1.425,1068 1.377,1069 1.656,1070 1.605,1071 0.864,1072 1.625,1073 1.156,1074 1.122,1075 1.354,1076 1.414,1077 0.525,1078 1.42,1079 0.986,1080 0.936,1081 1.226,1082 1.247,1083 0.332,1084 1.23,1085 0.905,1086 0.883,1087 1.181,1088 1.22,1089 0.229,1090 1.187,1091 4.111,1092 5.361,1094 6.79,1096 8.295,1098 9.838,1102 9.281,1103 1.594,1104 4.042,1105 5.274,1108 -1.901,1111 34.411,1112 87.656,1113 189.007,1114 231.736,1115 264.465,1116 275.975,1117 283.975,1118 99.459,1119 6.581,1120 95.5,1121 134.3,1122 12,1123 12.031,1124 4,1125 3.322,1126 64.997,1127 111,1128 130,1129 0.261,1130 221.373,1131 394.55,1132 531.91,1133 5432,1135 21.062,1136 0.726,1137 0.585,1138 21.562,1139 16.977,1140 13.99,1141 0.466,1142 0.338,1143 9.468,1144 13.272,1145 9.228,1146 7.643,1147 14.344,1148 10.138,1149 11.928,1150 0.314,1151 0.188,1152 12.178,1153 7.154,1154 8.94,1155 0.203,1156 0.107,1157 9.084,1158 4.708,1159 6.807,1160 0.133,1161 0.062,1162 6.992,1163 3.145,1164 5.545,1165 0.092,1166 0.034,1167 5.771,1168 2.053,1169 0.409,1170 90.604,1171 0.227,1172 27.76,1173 0.719,1174 136,1175 434.12,1176 158.435,1177 431.426,1178 552.5,1179 398,1180 150,1181 361.121,1182 166.344,1183 367.857,1184 524.14,1185 346,1186 7.824} {0 CHEMBL457018,1 1.317,2 17.379,3 4.854,4 23.564,5 108.445,6 6.038,8 4.27,9 4.394,10 3.596,11 3.681,12 5.239,13 3.631,14 4.891,15 5.085,16 3.886,17 4.067,18 5.84,19 3.964,20 5.243,21 5.506,22 3.961,23 4.171,24 6.301,25 4.031,26 5.203,27 5.473,28 3.807,29 4.114,30 6.191,31 3.96,32 5.123,33 5.396,34 3.751,35 4.042,36 6.189,37 3.881,38 5.054,39 5.333,40 3.62,41 3.973,42 5.991,43 3.804,44 4.961,45 5.245,46 3.581,47 3.931,48 5.85,49 3.764,50 4.941,51 5.217,52 3.535,53 3.897,54 5.947,55 3.726,56 0.059,57 0.847,58 17.401,59 7.146,60 17.779,61 9.737,62 0.393,63 1.313,64 31.91,65 11.206,66 56.873,67 16.147,68 1.152,69 1.522,70 44.88,71 13.081,72 151.372,73 19.904,74 0.936,75 1.44,76 42.64,77 12.371,78 133.325,79 18.893,80 0.901,81 1.341,82 39.257,83 11.591,84 145.904,85 17.729,86 0.843,87 1.249,88 36.396,89 10.815,90 104.818,91 16.509,92 0.483,93 1.19,94 32.67,95 10.331,96 76.274,97 15.697,98 0.611,99 1.152,100 32.313,101 9.997,102 110.114,103 15.193,104 55,105 35,106 0.214,107 0.378,108 0.563,109 0.66,110 0.731,111 0.791,112 3.406,113 1.177,114 -4.17,115 -4.11,116 -3.89,117 31.9,118 1,119 14,122 1,123 4,129 2,136 14,138 2,139 2,144 13,148 2,150 5,151 1,155 12,159 1,160 2,162 1,163 1,167 11,173 2,176 3,177 1,178 1,181 10,184 2,185 3,188 1,190 1,193 9,197 3,199 1,201 2,204 8,207 1,208 4,210 1,212 3,214 7,219 4,224 3,226 6,229 1712,230 19.322,231 19.322,232 19.322,233 19.322,234 19.322,235 19.037,236 11.181,237 12.412,238 19.594,239 14.258,240 14.258,241 14.258,242 14.258,243 14.258,244 13.69,245 9.76,246 5.952,247 14.731,248 4.792,249 3.784,250 2.645,251 2.049,252 1.615,253 1.242,254 4.058,257 1,258 1,259 1000,260 4.899,261 108.129,265 2.918,266 45.038,268 1,269 0.83,270 0.83,271 1,272 1,273 0.83,274 0.5,275 0.86,276 65,277 504,278 4.234,279 3.936,280 6.699,281 4.113,282 3.171,283 3.331,284 2.504,285 10.636,286 2.972,287 3.68,288 3.684,289 5.766,290 3.428,291 2.473,292 2.841,293 2.443,294 7.43,295 2.346,296 3.47,297 3.049,298 5.045,299 3.266,300 2.284,301 2.528,302 0.513,303 6.077,304 2.221,305 2.956,306 2.496,307 4.809,308 2.953,309 1.953,310 1.956,311 0.286,312 4.746,313 1.952,314 2.891,315 1.961,316 4.192,317 2.82,318 1.821,319 1.879,321 3.905,322 1.817,323 2.825,324 1.942,325 3.953,326 2.654,327 1.697,328 1.824,330 3.641,331 1.617,332 2.623,333 1.838,334 3.817,335 2.603,336 1.61,337 1.621,339 3.455,340 1.577,341 2.364,342 1.648,343 3.606,344 2.343,345 1.359,346 1.362,348 3.149,349 1.337,350 2.271,351 1.4,352 3.345,353 2.143,354 1.24,355 1.258,356 2.593,357 1.105,358 2.029,359 1.398,360 3.092,361 1.999,362 1.009,363 1.019,364 1.951,365 0.993,366 1.682,367 1.272,368 2.868,369 1.658,370 0.677,371 0.678,372 1.308,373 0.66,374 1.52,375 1.103,376 2.601,377 1.342,378 0.423,379 0.435,380 0.855,381 0.382,382 1.302,383 0.777,384 2.387,385 1.186,386 0.208,387 0.217,388 0.387,389 0.202,390 1.278,391 0.437,392 2.336,393 0.942,394 0.04,395 0.044,396 0.085,397 0.035,398 0.905,399 0.251,400 2.109,401 0.842,402 -0.162,403 -0.168,405 -0.294,406 -0.162,407 13.333,408 0.46,409 0.532,410 0.018,411 19.75,412 0.681,413 3,414 0.103,415 16.75,416 0.578,417 36.473,418 1.258,419 37.667,420 0.546,421 13.526,422 0.466,423 2.83,424 0.098,425 11.138,426 0.384,427 0.163,429 0.225,430 0.854,431 1.514,432 1.047,433 1.492,434 0.796,435 1.331,436 0.741,437 1.472,438 1.07,439 1.466,440 0.653,441 1.354,442 0.746,443 1.001,444 0.89,445 1.004,446 0.735,447 0.981,448 0.937,449 0.952,450 0.97,451 0.957,452 0.891,453 0.969,454 0.746,455 0.999,456 0.906,457 1.004,458 0.766,459 0.992,460 0.822,461 0.895,462 0.93,463 0.907,464 0.911,465 0.938,466 0.698,467 1.001,468 0.852,469 1.002,470 0.664,471 0.965,472 0.742,473 1.013,474 0.928,475 1.021,476 0.722,477 1.016,478 4,479 0.103,480 2.667,481 1.764,482 0.89,483 0.413,484 0.3,485 0.3,486 0.155,487 0.125,488 13016,489 29454,490 1.884,491 58,492 29,493 6,494 3,495 2,498 1.707,499 1.758,500 4.025,501 0.891,506 90.852,507 1.317,508 2.324,509 3.463,510 4.059,511 4.493,512 4.867,513 3.512,514 4.651,515 4.825,516 4.264,517 1731.38,518 8.338,519 28415.8,523 421.488,524 1.392,525 4.78,526 0.138,527 0.005,528 0.076,529 0.05,530 0.03,531 0.015,532 0.012,533 0.012,534 0.007,535 0.006,536 0.351,537 0.33,538 0.88,539 3.653,540 157.697,541 -0.064,542 -0.028,543 -0.005,544 -0.021,545 -0.068,546 -0.003,547 0.096,548 -0.23,549 -0.068,550 -0.23,551 0.044,552 -0.19,553 0.241,554 -0.02,555 0.095,556 -0.023,557 0.17,558 0.002,559 0.059,560 0.009,561 0.013,562 0.005,563 0.058,564 -0.001,565 0.171,566 -0.029,567 0.059,568 -0.031,569 0.182,570 -0.013,571 0.098,572 0.059,573 0.032,574 0.051,575 0.025,576 0.03,577 0.054,578 -0.008,579 0.078,580 0.001,581 0.084,582 0.04,583 0.085,584 -0.022,585 0.019,586 -0.024,587 0.154,588 -0.018,589 3.004,590 4.721,591 0.172,592 41.351,593 0.999,594 1.142,595 2.939,596 8.636,597 0.586,598 3.401,599 3.584,600 3.714,601 3.784,602 3.784,603 3.664,604 3.526,605 3.497,606 3.466,607 3.332,608 10.07,609 0.544,610 416.62,611 3.401,612 4.86,613 5.631,614 6.431,615 7.232,616 8.049,617 8.869,618 9.7,619 10.535,620 11.378,637 69,638 2,640 29,641 69,642 22,647 1,648 1,650 1,651 3,652 18,653 2,654 20,656 2,658 2,659 2,662 40,663 7,664 3,665 7,668 1,669 7,671 3,673 1,680 2,684 3,685 1,688 1,691 29,694 3,695 15,698 2,700 4,704 10.1,705 3,707 2,708 2,709 16.5,710 11.6,711 6.944,712 4.964,713 0.141,714 1.022,715 0.814,716 14.382,717 6.551,718 3.466,719 3.689,720 3.829,721 3.912,722 3.97,723 3.829,724 3.689,725 3.738,726 3.714,727 3.466,728 1,729 35,730 11.016,731 4.648,732 7.989,733 21.018,734 16.878,735 2.489,736 72.167,739 435.531,740 63.284,743 200.34,745 63.284,746 635.87,748 8.825,749 40.076,750 128.05,751 64.673,752 22,754 435.531,756 435.531,757 63.284,758 200.34,760 435.531,761 72.29,762 128.05,763 48.901,764 14.383,767 435.531,768 200.34,769 63.284,771 435.531,772 54.458,773 8.825,775 200.34,776 435.531,777 200.34,778 63.284,779 0.545,780 0.301,781 0.142,782 0.07,783 9,784 6,785 0.261,786 18,788 1,789 4.332,790 197.776,792 5,793 140.881,797 26.191,798 15.925,799 11.209,801 200.34,805 128.05,806 699.154,807 31,809 22.857,810 -1.411,811 68.963,812 78.77,813 0.216,814 0.38,815 0.567,816 0.665,817 0.736,818 0.797,819 4.663,820 1.359,821 5.549,822 3.455,823 4.263,824 4.369,825 3.102,826 6.232,827 4.187,828 5.71,829 1.24,830 7.038,831 3.149,832 3.611,833 3.892,834 2.882,835 6.974,836 3.457,837 6.914,838 1.009,839 8.646,840 2.593,841 5.714,842 5.958,843 4.585,844 10.104,845 5.542,846 8.151,847 0.677,848 10.33,849 1.951,850 5.994,851 6.399,852 5.012,853 11.821,854 5.706,855 9.434,856 0.423,857 12.068,858 1.308,859 7.505,860 7.892,861 6.257,862 14.463,863 7.205,864 10.747,865 0.208,866 13.843,867 0.855,868 8.256,869 8.755,870 6.941,871 16.562,872 7.833,873 12.084,874 0.04,875 15.647,876 0.387,877 9.532,878 10.04,879 8.005,880 19.036,881 9.082,882 3.171,883 -0.162,884 17.472,885 0.085,886 10.508,887 11.089,888 8.805,889 21.287,890 9.95,891 2.473,892 10.636,893 19.312,894 -0.294,895 11.696,896 12.301,897 9.787,898 23.697,899 11.094,900 2.284,901 7.43,902 21.164,903 3.331,904 12.773,905 13.43,906 10.642,907 26.012,908 12.078,909 1.953,910 6.077,911 23.026,912 2.841,913 13.932,914 14.621,915 11.586,916 28.396,917 13.183,918 1.821,919 4.746,920 24.895,921 2.528,922 15.051,923 15.784,924 12.468,925 30.738,926 14.222,927 1.697,928 3.905,929 26.77,930 1.956,931 16.202,932 16.973,933 13.394,934 33.111,935 15.313,936 1.61,937 3.641,938 28.649,939 1.879,940 17.34,941 18.152,942 14.289,943 35.465,944 16.378,945 13475,946 21144,947 18.375,948 40.409,949 40.318,950 42.123,951 41.65,952 39.915,953 39.932,954 41.989,955 11.493,956 100.436,957 38.436,958 5.228,959 5.897,960 6.688,961 5.185,962 5.165,963 5.331,964 4.26,965 17.853,966 4.944,967 18.3,968 1.39,969 1.453,970 1.436,971 1.376,972 1.377,973 1.448,974 0.396,975 3.463,976 1.325,977 3.899,978 3.932,979 3.82,980 3.74,981 7.435,982 3.735,983 3.828,984 3.864,985 3.68,986 3.662,987 7.431,988 3.677,989 3.75,990 3.809,991 3.603,992 3.621,993 6.493,994 3.604,995 3.655,996 3.711,997 3.505,998 3.507,999 6.446,1000 3.493,1001 3.534,1002 3.586,1003 3.376,1004 3.354,1005 6.398,1006 3.348,1007 3.426,1008 3.479,1009 3.26,1010 3.222,1011 4.435,1012 3.229,1013 3.303,1014 3.37,1015 3.123,1016 3.121,1017 4.313,1018 3.109,1019 3.132,1020 3.204,1021 2.925,1022 2.925,1023 4.252,1024 2.912,1025 0.146,1026 0.136,1027 0.231,1028 0.142,1029 0.109,1030 4.234,1031 0.115,1032 3.936,1033 0.086,1034 6.699,1035 0.367,1036 4.113,1037 0.102,1038 3.171,1039 3.331,1040 2.504,1041 10.636,1042 2.972,1043 1.838,1044 1.779,1045 2.084,1046 1.991,1047 1.45,1048 2.026,1049 1.771,1050 1.712,1051 2.025,1052 1.938,1053 1.375,1054 1.968,1055 1.673,1056 1.631,1057 1.931,1058 1.878,1059 1.257,1060 1.884,1061 1.633,1062 1.583,1063 1.833,1064 1.822,1065 1.186,1066 1.84,1067 1.513,1068 1.453,1069 1.795,1070 1.722,1071 1.103,1072 1.741,1073 1.411,1074 1.392,1075 1.655,1076 1.681,1077 0.928,1078 1.653,1079 1.329,1080 1.264,1081 1.58,1082 1.56,1083 0.81,1084 1.582,1085 1.149,1086 1.086,1087 1.485,1088 1.426,1089 0.738,1090 1.433,1091 4.078,1092 5.293,1093 2.398,1094 6.673,1095 4.844,1096 8.141,1097 6.986,1098 9.668,1099 2.239,1102 28.772,1103 15.881,1106 9.651,1108 -5.822,1111 37.54,1112 90.852,1113 160.368,1114 238.958,1115 280.096,1116 310.023,1117 335.821,1118 147.39,1119 6.41,1120 113.29,1121 113.29,1122 5,1123 11.945,1124 1.585,1125 1.585,1126 93.405,1127 176,1128 196,1129 0.245,1130 236.527,1131 433.05,1132 568.887,1133 5460,1135 21.485,1136 0.741,1137 0.617,1138 21.485,1139 17.891,1140 13.968,1141 0.482,1142 0.392,1143 11.229,1144 13.399,1145 11.056,1146 9.237,1147 13.968,1148 11.373,1149 11.286,1150 0.322,1151 0.231,1152 11.286,1153 8.08,1154 8.692,1155 0.217,1156 0.136,1157 8.692,1158 5.433,1159 5.934,1160 0.138,1161 0.082,1162 5.934,1163 3.531,1164 4.134,1165 0.096,1166 0.051,1167 4.134,1168 2.203,1169 0.421,1170 88.422,1171 0.233,1172 29.511,1173 0.587,1174 128,1175 419.391,1176 146.71,1177 375.749,1178 473.16,1179 348,1180 139,1181 303.909,1182 157.935,1183 294.693,1184 432.58,1185 278,1186 4.456} {0 CHEMBL514254,1 1.679,2 12.4,3 3.109,4 9.663,5 150.279,6 7.713,7 0.405,8 4.384,9 4.492,10 4.058,11 3.903,12 5.537,13 3.872,14 4.919,15 5.082,16 4.373,17 4.289,18 6.234,19 4.241,20 5.216,21 5.393,22 4.518,23 4.499,24 6.42,25 4.418,26 5.385,27 5.593,28 4.599,29 4.552,30 6.568,31 4.475,32 5.414,33 5.607,34 4.649,35 4.561,36 6.864,37 4.494,38 5.425,39 5.627,40 4.594,41 4.584,42 6.649,43 4.487,44 5.467,45 5.675,46 4.63,47 4.593,48 6.708,49 4.513,50 5.481,51 5.676,52 4.601,53 4.575,54 6.938,55 4.516,56 0.198,57 1.077,58 17.963,59 7.077,60 33.403,61 8.639,62 0.672,63 1.684,64 30.257,65 11.494,66 103.016,67 14.885,68 0.846,69 2.141,70 43.883,71 16.027,72 128.315,73 19.934,74 0.989,75 2.402,76 57.728,77 17.638,78 162.773,79 22.486,80 1.514,81 2.42,82 56.893,83 17.6,84 281.096,85 22.603,86 1.235,87 2.447,88 59.002,89 19.28,90 187.934,91 23.946,92 1.211,93 2.496,94 67.301,95 19.85,96 199.331,97 24.388,98 1.927,99 2.418,100 65.23,101 18.97,102 356.975,103 23.446,104 137,105 60,106 0.259,107 0.594,108 0.765,109 0.843,110 0.856,111 0.856,112 3.718,113 1.005,114 -2.68,115 -2.7,116 -2.63,117 37.8,118 2,119 1,120 1,121 2,122 1,123 2,125 10,126 3,127 3,129 3,134 1,135 1,136 14,138 1,139 2,141 5,142 4,143 1,144 15,148 9,150 3,151 3,152 9,155 11,160 14,161 1,164 9,167 4,172 4,173 11,176 4,178 8,179 1,181 5,182 1,184 2,185 12,188 3,189 2,190 9,193 8,194 2,197 12,198 1,200 1,201 6,204 13,207 3,208 9,210 4,211 1,212 4,213 1,214 21,215 1,218 1,219 7,222 4,223 1,224 6,226 22,227 1,229 3676,230 25.576,231 25.576,232 25.576,233 25.576,234 25.576,235 22.815,236 24.84,237 14.839,238 25.94,239 20.661,240 20.661,241 20.661,242 20.661,243 20.661,244 16.297,245 23.83,246 6.981,247 21.251,248 4.53,249 2.36,250 1.246,251 0.744,252 0.662,253 0.662,254 4.39,259 1018,260 5.916,262 405.366,264 210.886,265 1.75,266 72.206,268 0.5,269 0.5,270 0.5,271 0.8,272 1,273 0.33,275 0.52,276 89,277 496,278 4.929,279 4.709,280 7.443,281 4.409,282 3.478,283 4.857,284 2.376,285 13.119,286 3.233,287 4.453,288 3.824,289 6.638,290 4.016,291 3.039,292 4.279,293 1.984,294 10.547,295 2.966,296 4.117,297 3.664,298 6.376,299 3.935,300 2.954,301 3.624,302 1.923,303 9.593,304 2.88,305 4.02,306 3.573,307 6.03,308 3.717,309 2.727,310 3.254,311 0.8,312 8.572,313 2.687,314 3.802,315 3.175,316 5.714,317 3.481,318 2.497,319 3.071,320 0.373,321 7.394,322 2.451,323 3.656,324 2.819,325 5.367,326 3.268,327 2.302,328 2.964,329 0.213,330 6.92,331 2.217,332 3.533,333 2.515,334 4.884,335 3.215,336 2.224,337 2.694,338 0.034,339 5.655,340 2.179,341 3.382,342 2.456,343 4.811,344 3.008,345 2.034,346 2.646,348 5.335,349 1.968,350 3.118,351 2.411,352 4.785,353 2.812,354 1.798,355 2.427,356 4.538,357 1.808,358 3.034,359 1.974,360 4.512,361 2.618,362 1.618,363 2.044,364 4.439,365 1.618,366 2.898,367 1.618,368 4.225,369 2.51,370 1.544,371 2.021,372 3.736,373 1.484,374 2.699,375 1.592,376 4.039,377 2.243,378 1.261,379 1.77,380 3.391,381 1.24,382 2.5,383 1.438,384 3.754,385 2.226,386 1.244,387 1.5,388 2.871,389 1.21,390 2.484,391 1.271,392 3.454,393 2,394 1,395 1.423,396 2.275,397 1,398 2.18,399 1.26,400 3.414,401 1.768,402 0.794,403 1.067,405 1.953,406 0.77,407 18.767,408 0.469,409 1.377,410 0.034,411 49.25,412 1.231,413 24.5,414 0.613,415 24.75,416 0.619,417 41.324,418 1.033,419 45.433,420 0.614,421 51.032,422 1.276,423 9.8,424 0.245,425 8.995,426 0.225,427 0.231,428 0.044,429 0.341,430 0.71,431 1.368,432 0.853,433 1.223,434 0.707,435 1.002,436 0.55,437 1.082,438 0.817,439 0.973,440 0.482,441 0.935,442 0.899,443 1.124,444 1.059,445 1.107,446 0.943,447 1.09,448 1.1,449 1.102,450 1.095,451 1.071,452 1.076,453 0.956,454 0.986,455 1.097,456 1.047,457 1.05,458 1.005,459 1.008,460 1.069,461 1.052,462 1.157,463 1.102,464 1.168,465 1.062,466 1.221,467 1.041,468 1.268,469 1.162,470 1.229,471 0.958,472 1.294,473 0.871,474 1.196,475 0.95,476 1.347,477 0.907,478 10.5,479 0.537,480 5.778,481 3.625,482 3.067,483 1.931,484 1.464,485 1.047,486 0.744,487 0.534,488 21850,489 69699,490 1.919,491 45.9,492 6,493 20,494 5,496 3,498 1.809,499 1.733,500 3.56,501 2.21,506 124.268,507 1.679,508 3.849,509 4.963,510 5.466,511 5.547,512 5.547,513 3.018,514 4.634,515 5.292,516 3.782,517 2950.3,518 9.396,519 50344.2,523 459.5,524 1.703,525 5.204,526 0.25,527 0.009,528 0.096,529 0.056,530 0.045,531 0.027,532 0.022,533 0.015,534 0.01,535 0.008,536 0.539,537 0.17,538 0.63,539 1.724,540 222.793,541 -0.034,542 -0.09,543 0.132,544 -0.011,545 -0.121,546 0.039,547 0.199,548 0.091,549 0.094,550 0.077,551 0.192,552 0.067,553 -0.017,554 -0.021,555 -0.054,556 -0.029,557 -0.075,558 -0.087,559 -0.135,560 -0.049,561 0.013,562 -0.004,563 -0.102,564 0.033,565 0.103,566 -0.053,567 0.003,568 -0.031,569 0.153,570 -0.044,571 -0.048,572 -0.018,573 -0.057,574 -0.033,575 -0.098,576 -0.073,577 -0.141,578 -0.016,579 -0.048,580 -0.036,581 -0.097,582 0.037,583 -0.014,584 0.113,585 -0.095,586 0.071,587 0.029,588 0.048,589 5.173,590 6.728,591 0.4,592 45.095,593 1.014,594 1.13,595 1.454,596 2.115,597 0.652,598 3.761,599 4.111,600 4.317,601 4.554,602 4.779,603 4.787,604 4.927,605 5.03,606 5.088,607 5.05,608 7.746,609 0.624,610 570.73,611 3.761,612 5.323,613 6.159,614 7.048,615 7.912,616 8.804,617 9.68,618 10.575,619 11.458,620 12.356,621 5.4,623 1,624 1,625 2,627 2,628 10,630 4,631 17,633 1,634 1,637 74,638 22,639 3,640 42,641 76,642 28,643 16,644 6,645 10,647 3,648 4,650 2,652 3,653 19,654 9,655 1,656 5,657 1,658 5,659 3,662 34,663 11,664 5,665 12,666 1,667 4,668 0.667,669 7,674 3,676 1,678 2,679 1,684 1,685 2,687 1,688 4,691 40,693 1,694 2,695 2,697 3,700 3,701 1,704 9.5,706 2,707 5,709 23.083,710 13.933,711 8.736,712 4.113,713 2.975,714 1.386,715 0.919,716 10.418,717 10.686,718 4.034,719 4.635,720 5.109,721 5.663,722 6.224,723 6.42,724 6.816,725 7.155,726 7.449,727 7.405,728 1,729 65,730 15.414,731 7.098,732 8.185,733 27.457,734 22.379,735 2.685,736 107.417,739 341.362,740 162.611,741 55.551,743 205.114,744 5.807,745 156.804,746 546.476,747 55.551,748 34.443,749 40.662,750 116.975,751 215.434,752 15.763,754 341.362,756 341.362,757 212.355,758 205.114,759 5.807,760 306.049,761 240.428,763 74.717,764 137.638,765 5.807,767 341.362,768 260.665,769 162.611,770 5.807,771 341.362,772 27.598,773 132.33,774 52.426,775 205.114,776 341.362,777 260.665,778 162.611,779 0.592,780 0.331,781 0.17,782 0.098,783 25,784 15,785 0.158,786 12,787 1,788 1.125,789 4.55,790 395.837,791 0.125,792 16,793 200.877,796 1,797 31.206,798 13.354,799 8.106,800 1.183,801 260.665,802 16.159,804 1.37,805 137.793,806 764.639,807 55.5,808 -4.257,809 64.475,810 -2.718,811 75.029,812 83.607,813 0.27,814 0.62,815 0.799,816 0.88,817 0.893,818 0.893,819 5.295,820 2.034,821 6.196,822 5.655,823 4.796,824 5.323,825 3.188,826 7.052,827 4.739,828 6.534,829 1.798,830 7.799,831 5.335,832 4.635,833 5.427,834 2.87,835 8.231,836 4.521,837 7.878,838 1.618,839 9.511,840 4.538,841 6.469,842 7.595,843 4.381,844 11.29,845 6.335,846 9.261,847 1.544,848 11.29,849 4.439,850 7.074,851 8.502,852 4.684,853 13.301,854 6.864,855 10.678,856 1.261,857 13.114,858 3.736,859 8.472,860 10.257,861 5.803,862 15.977,863 8.234,864 12.123,865 1.244,866 14.971,867 3.391,868 9.409,869 11.522,870 6.376,871 18.314,872 9.088,873 13.59,874 1,875 16.852,876 2.871,877 10.661,878 13.142,879 7.335,880 20.89,881 10.298,882 3.478,883 0.794,884 18.753,885 2.275,886 11.748,887 14.57,888 8.042,889 23.357,890 11.301,891 3.039,892 13.119,893 20.67,894 1.953,895 12.958,896 16.144,897 8.933,898 25.913,899 12.454,900 2.954,901 10.547,902 22.599,903 4.857,904 14.113,905 17.646,906 9.71,907 28.435,908 13.527,909 2.727,910 9.593,911 24.54,912 4.279,913 15.317,914 19.209,915 10.574,916 30.991,917 14.663,918 2.497,919 8.572,920 26.489,921 3.624,922 16.505,923 20.745,924 11.389,925 33.538,926 15.77,927 2.302,928 7.394,929 28.447,930 3.254,931 17.714,932 22.306,933 12.245,934 36.099,935 16.904,936 2.224,937 6.92,938 30.411,939 3.071,940 18.922,941 23.859,942 13.079,943 38.658,944 18.029,945 21916,946 39323,947 26.065,948 48.273,949 63.782,950 66.617,951 66.579,952 63.278,953 63.172,954 81.718,955 15.403,956 185.711,957 61.506,958 5.891,959 6.709,960 6.964,961 5.484,962 5.478,963 7.857,964 3.99,965 21.2,966 5.233,967 28.63,968 1.519,969 1.586,970 1.585,971 1.507,972 1.504,973 1.946,974 0.367,975 4.422,976 1.464,977 4.175,978 4.173,979 4.742,980 4.159,981 7.717,982 4.111,983 3.946,984 3.975,985 3.972,986 3.869,987 7.475,988 3.866,989 3.832,990 3.868,991 3.871,992 3.759,993 7.432,994 3.692,995 3.806,996 3.804,997 3.741,998 3.654,999 7.423,1000 3.648,1001 3.578,1002 3.619,1003 3.504,1004 3.385,1005 6.999,1006 3.391,1007 3.533,1008 3.596,1009 3.415,1010 3.321,1011 6.471,1012 3.347,1013 3.435,1014 3.474,1015 3.376,1016 3.286,1017 6.351,1018 3.257,1019 3.364,1020 3.408,1021 3.225,1022 3.198,1023 4.87,1024 3.194,1025 0.117,1026 0.112,1027 0.177,1028 0.105,1029 0.083,1030 4.929,1031 0.116,1032 4.709,1033 0.057,1034 7.443,1035 0.312,1036 4.409,1037 0.077,1038 3.478,1039 4.857,1040 2.376,1041 13.119,1042 3.233,1043 2.104,1044 2.101,1045 2.14,1046 2.155,1047 1.356,1048 2.175,1049 1.92,1050 1.895,1051 2.037,1052 2.027,1053 1.26,1054 2.032,1055 1.773,1056 1.729,1057 1.977,1058 1.959,1059 1.218,1060 1.961,1061 1.67,1062 1.673,1063 1.77,1064 1.831,1065 0.933,1066 1.855,1067 1.506,1068 1.456,1069 1.708,1070 1.758,1071 0.848,1072 1.74,1073 1.476,1074 1.428,1075 1.68,1076 1.719,1077 0.812,1078 1.729,1079 1.378,1080 1.31,1081 1.621,1082 1.568,1083 0.691,1084 1.595,1085 1.307,1086 1.297,1087 1.417,1088 1.491,1089 0.54,1090 1.51,1091 4.443,1092 5.784,1094 7.306,1096 8.916,1098 10.579,1099 7.041,1102 18.543,1103 -0.71,1105 7.334,1108 -2.875,1109 1.87,1111 46.178,1112 124.268,1113 284.841,1114 367.261,1115 404.48,1116 410.48,1117 410.48,1118 171.569,1119 7.712,1120 165.14,1121 173.52,1122 18,1123 12.882,1124 4.524,1125 3.858,1126 86.552,1127 176,1128 206,1129 0.225,1130 291.256,1131 518.18,1132 702.425,1133 22518,1135 29.612,1136 0.74,1137 0.588,1138 29.862,1139 23.527,1140 18.795,1141 0.448,1142 0.335,1143 12.528,1144 17.285,1145 11.981,1146 10.035,1147 19.617,1148 14.073,1149 18.088,1150 0.301,1151 0.193,1152 19.369,1153 11.592,1154 13.399,1155 0.181,1156 0.106,1157 14.475,1158 7.811,1159 10.779,1160 0.115,1161 0.06,1162 11.974,1163 5.674,1164 9.022,1165 0.076,1166 0.034,1167 10.179,1168 3.999,1169 0.348,1170 126.858,1171 0.196,1172 35.37,1173 0.633,1174 204,1175 680.481,1176 263.392,1177 670.65,1178 874.92,1179 612,1180 236,1181 584.566,1182 303.976,1183 628.299,1184 907.13,1185 585,1186 5.456}