@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1293193 @attribute molecule_id {CHEMBL1778526,CHEMBL1778527,CHEMBL1778528,CHEMBL1778529,CHEMBL1778530,CHEMBL1778531,CHEMBL1778532,CHEMBL1778533,CHEMBL1778534,CHEMBL1778535,CHEMBL1778536,CHEMBL42583} @attribute AAC numeric @attribute AECC numeric @attribute ALOGP numeric @attribute ALOGP2 numeric @attribute AMR numeric @attribute AMW numeric @attribute ARR numeric @attribute ATS1e numeric @attribute ATS1i numeric @attribute ATS1m numeric @attribute ATS1p numeric @attribute ATS1s numeric @attribute ATS1v numeric @attribute ATS2e numeric @attribute ATS2i numeric @attribute ATS2m numeric @attribute ATS2p numeric @attribute ATS2s numeric @attribute ATS2v numeric @attribute ATS3e numeric @attribute ATS3i numeric @attribute ATS3m numeric @attribute ATS3p numeric @attribute ATS3s numeric @attribute ATS3v numeric @attribute ATS4e numeric @attribute ATS4i numeric @attribute ATS4m numeric @attribute ATS4p numeric @attribute ATS4s numeric @attribute ATS4v numeric @attribute ATS5e numeric @attribute ATS5i numeric @attribute ATS5m numeric @attribute ATS5p numeric @attribute ATS5s numeric @attribute ATS5v numeric @attribute ATS6e numeric @attribute ATS6i numeric @attribute ATS6m numeric @attribute ATS6p numeric @attribute ATS6s numeric @attribute ATS6v numeric @attribute ATS7e numeric @attribute ATS7i numeric @attribute ATS7m numeric @attribute ATS7p numeric @attribute ATS7s numeric @attribute ATS7v numeric @attribute ATS8e numeric @attribute ATS8i numeric @attribute ATS8m numeric @attribute ATS8p numeric @attribute ATS8s numeric @attribute ATS8v numeric @attribute ATSC1e numeric @attribute ATSC1i numeric @attribute ATSC1m numeric @attribute ATSC1p numeric @attribute ATSC1s numeric @attribute ATSC1v numeric @attribute ATSC2e numeric @attribute ATSC2i numeric @attribute ATSC2m numeric @attribute ATSC2p numeric @attribute ATSC2s numeric @attribute ATSC2v numeric @attribute ATSC3e numeric @attribute ATSC3i numeric @attribute ATSC3m numeric @attribute ATSC3p numeric @attribute ATSC3s numeric @attribute ATSC3v numeric @attribute ATSC4e numeric @attribute ATSC4i numeric @attribute ATSC4m numeric @attribute ATSC4p numeric @attribute ATSC4s numeric @attribute ATSC4v numeric @attribute ATSC5e numeric @attribute ATSC5i numeric @attribute ATSC5m numeric @attribute ATSC5p numeric @attribute ATSC5s numeric @attribute ATSC5v numeric @attribute ATSC6e numeric @attribute ATSC6i numeric @attribute ATSC6m numeric @attribute ATSC6p numeric @attribute ATSC6s numeric @attribute ATSC6v numeric @attribute ATSC7e numeric @attribute ATSC7i numeric @attribute ATSC7m numeric @attribute ATSC7p numeric @attribute ATSC7s numeric @attribute ATSC7v numeric @attribute ATSC8e numeric @attribute ATSC8i numeric @attribute ATSC8m numeric @attribute ATSC8p numeric @attribute ATSC8s numeric @attribute ATSC8v numeric @attribute BAC numeric @attribute BBI numeric @attribute BIC0 numeric @attribute BIC1 numeric @attribute BIC2 numeric @attribute BIC3 numeric @attribute BIC4 numeric @attribute BIC5 numeric @attribute BID numeric @attribute BLI numeric @attribute BLTA96 numeric @attribute BLTD48 numeric @attribute BLTF96 numeric @attribute C. numeric @attribute C.001 numeric @attribute C.002 numeric @attribute C.003 numeric @attribute C.004 numeric @attribute C.005 numeric @attribute C.006 numeric @attribute C.008 numeric @attribute C.011 numeric @attribute C.024 numeric @attribute C.025 numeric @attribute C.026 numeric @attribute C.027 numeric @attribute C.028 numeric @attribute C.031 numeric @attribute C.033 numeric @attribute C.034 numeric @attribute C.040 numeric @attribute C.043 numeric @attribute CATS2D_00_DD numeric @attribute CATS2D_00_DP numeric @attribute CATS2D_00_PP numeric @attribute CATS2D_01_AA numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_01_NL numeric @attribute CATS2D_02_AA numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_DA numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_02_DN numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_02_PL numeric @attribute CATS2D_03_AL numeric @attribute CATS2D_03_DA numeric @attribute CATS2D_03_DD numeric @attribute CATS2D_03_DL numeric @attribute CATS2D_03_DN numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_03_NL numeric @attribute CATS2D_03_PL 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_LL numeric @attribute CATS2D_04_NL numeric @attribute CATS2D_04_PL numeric @attribute CATS2D_05_AA numeric @attribute CATS2D_05_AL numeric @attribute CATS2D_05_AN numeric @attribute CATS2D_05_DA numeric @attribute CATS2D_05_DL numeric @attribute CATS2D_05_DN numeric @attribute CATS2D_05_LL numeric @attribute CATS2D_05_NL numeric @attribute CATS2D_06_AA numeric @attribute CATS2D_06_AL 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_07_AA numeric @attribute CATS2D_07_AL numeric @attribute CATS2D_07_AP numeric @attribute CATS2D_07_DA numeric @attribute CATS2D_07_DD numeric @attribute CATS2D_07_DL numeric @attribute CATS2D_07_DN numeric @attribute CATS2D_07_DP numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_07_NL numeric @attribute CATS2D_08_AA numeric @attribute CATS2D_08_AL numeric @attribute CATS2D_08_AN numeric @attribute CATS2D_08_AP numeric @attribute CATS2D_08_DA numeric @attribute CATS2D_08_DD numeric @attribute CATS2D_08_DL numeric @attribute CATS2D_08_DN numeric @attribute CATS2D_08_LL numeric @attribute CATS2D_08_NL numeric @attribute CATS2D_09_AA numeric @attribute CATS2D_09_AL numeric @attribute CATS2D_09_AN numeric @attribute CATS2D_09_DA numeric @attribute CATS2D_09_DD numeric @attribute CATS2D_09_DL numeric @attribute CATS2D_09_LL numeric @attribute CATS2D_09_NL numeric @attribute CATS2D_09_PL numeric @attribute CENT numeric @attribute Chi0_AEA.bo. numeric @attribute Chi0_AEA.dm. numeric @attribute Chi0_AEA.ed. numeric @attribute Chi0_AEA.ri. numeric @attribute Chi0_EA numeric @attribute Chi0_EA.bo. numeric @attribute Chi0_EA.dm. numeric @attribute Chi0_EA.ed. numeric @attribute Chi0_EA.ri. numeric @attribute Chi1_AEA.bo. numeric @attribute Chi1_AEA.dm. numeric @attribute Chi1_AEA.ed. numeric @attribute Chi1_AEA.ri. numeric @attribute Chi1_EA numeric @attribute Chi1_EA.bo. numeric @attribute Chi1_EA.dm. numeric @attribute Chi1_EA.ed. numeric @attribute Chi1_EA.ri. numeric @attribute CIC0 numeric @attribute CIC1 numeric @attribute CIC2 numeric @attribute CIC3 numeric @attribute CIC4 numeric @attribute CIC5 numeric @attribute CID numeric @attribute Cl.089 numeric @attribute CMC.80 numeric @attribute cRo5 numeric @attribute CSI numeric @attribute DBI numeric @attribute D.Dtr05 numeric @attribute D.Dtr06 numeric @attribute DECC numeric @attribute DELS numeric @attribute DLS_01 numeric @attribute DLS_02 numeric @attribute DLS_03 numeric @attribute DLS_04 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.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.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.ed. numeric @attribute Eig08_EA.ri. numeric @attribute Eig09_AEA.bo. numeric @attribute Eig09_AEA.dm. numeric @attribute Eig09_AEA.ed. numeric @attribute Eig09_AEA.ri. numeric @attribute Eig09_EA numeric @attribute Eig09_EA.bo. numeric @attribute Eig09_EA.ed. numeric @attribute Eig09_EA.ri. numeric @attribute Eig10_AEA.bo. numeric @attribute Eig10_AEA.dm. numeric @attribute Eig10_AEA.ed. numeric @attribute Eig10_AEA.ri. numeric @attribute Eig10_EA numeric @attribute Eig10_EA.bo. numeric @attribute Eig10_EA.ed. numeric @attribute Eig10_EA.ri. numeric @attribute Eig11_AEA.bo. numeric @attribute Eig11_AEA.dm. numeric @attribute Eig11_AEA.ed. numeric @attribute Eig11_AEA.ri. numeric @attribute Eig11_EA numeric @attribute Eig11_EA.bo. numeric @attribute Eig11_EA.ed. numeric @attribute Eig11_EA.ri. numeric @attribute Eig12_AEA.bo. numeric @attribute Eig12_AEA.dm. numeric @attribute Eig12_AEA.ed. numeric @attribute Eig12_AEA.ri. numeric @attribute Eig12_EA numeric @attribute Eig12_EA.bo. numeric @attribute Eig12_EA.ed. numeric @attribute Eig12_EA.ri. numeric @attribute Eig13_AEA.bo. numeric @attribute Eig13_AEA.dm. numeric @attribute Eig13_AEA.ed. numeric @attribute Eig13_AEA.ri. numeric @attribute Eig13_EA numeric @attribute Eig13_EA.bo. numeric @attribute Eig13_EA.ed. numeric @attribute Eig13_EA.ri. numeric @attribute Eig14_AEA.bo. numeric @attribute Eig14_AEA.dm. numeric @attribute Eig14_AEA.ed. numeric @attribute Eig14_AEA.ri. numeric @attribute Eig14_EA numeric @attribute Eig14_EA.bo. numeric @attribute Eig14_EA.ed. numeric @attribute Eig14_EA.ri. numeric @attribute Eig15_AEA.bo. numeric @attribute Eig15_AEA.dm. numeric @attribute Eig15_AEA.ed. numeric @attribute Eig15_AEA.ri. numeric @attribute Eig15_EA numeric @attribute Eig15_EA.bo. numeric @attribute Eig15_EA.ed. numeric @attribute Eig15_EA.ri. numeric @attribute Eta_alpha numeric @attribute Eta_alpha_A numeric @attribute Eta_B numeric @attribute Eta_B_A numeric @attribute Eta_beta numeric @attribute Eta_beta_A numeric @attribute Eta_betaP numeric @attribute Eta_betaP_A numeric @attribute Eta_betaS numeric @attribute Eta_betaS_A numeric @attribute Eta_C numeric @attribute Eta_C_A numeric @attribute Eta_epsi numeric @attribute Eta_epsi_A numeric @attribute Eta_F numeric @attribute Eta_F_A numeric @attribute Eta_FL numeric @attribute Eta_FL_A numeric @attribute Eta_L numeric @attribute Eta_L_A numeric @attribute Eta_sh_p numeric @attribute Eta_sh_x numeric @attribute Eta_sh_y numeric @attribute GATS1e numeric @attribute GATS1i numeric @attribute GATS1m numeric @attribute GATS1p numeric @attribute GATS1s numeric @attribute GATS1v numeric @attribute GATS2e numeric @attribute GATS2i numeric @attribute GATS2m numeric @attribute GATS2p numeric @attribute GATS2s numeric @attribute GATS2v numeric @attribute GATS3e numeric @attribute GATS3i numeric @attribute GATS3m numeric @attribute GATS3p numeric @attribute GATS3s numeric @attribute GATS3v numeric @attribute GATS4e numeric @attribute GATS4i numeric @attribute GATS4m numeric @attribute GATS4p numeric @attribute GATS4s numeric @attribute GATS4v numeric @attribute GATS5e numeric @attribute GATS5i numeric @attribute GATS5m numeric @attribute GATS5p numeric @attribute GATS5s numeric @attribute GATS5v numeric @attribute GATS6e numeric @attribute GATS6i numeric @attribute GATS6m numeric @attribute GATS6p numeric @attribute GATS6s numeric @attribute GATS6v numeric @attribute GATS7e numeric @attribute GATS7i numeric @attribute GATS7m numeric @attribute GATS7p numeric @attribute GATS7s numeric @attribute GATS7v numeric @attribute GATS8e numeric @attribute GATS8i numeric @attribute GATS8m numeric @attribute GATS8p numeric @attribute GATS8s numeric @attribute GATS8v numeric @attribute GGI1 numeric @attribute GGI10 numeric @attribute GGI2 numeric @attribute GGI3 numeric @attribute GGI4 numeric @attribute GGI5 numeric @attribute GGI6 numeric @attribute GGI7 numeric @attribute GGI8 numeric @attribute GGI9 numeric @attribute GMTI numeric @attribute GMTIV numeric @attribute GNar numeric @attribute H. numeric @attribute H.046 numeric @attribute H.047 numeric @attribute H.048 numeric @attribute H.049 numeric @attribute H.050 numeric @attribute H.051 numeric @attribute H.052 numeric @attribute H.053 numeric @attribute HDcpx numeric @attribute HNar numeric @attribute HVcpx numeric @attribute Hy numeric @attribute Hypertens.50 numeric @attribute Hypertens.80 numeric @attribute IAC numeric @attribute IC0 numeric @attribute IC1 numeric @attribute IC2 numeric @attribute IC3 numeric @attribute IC4 numeric @attribute IC5 numeric @attribute ICR numeric @attribute IDDE numeric @attribute IDDM numeric @attribute IDE numeric @attribute IDET numeric @attribute IDM numeric @attribute IDMT numeric @attribute Infective.80 numeric @attribute Inflammat.80 numeric @attribute ISIZ numeric @attribute IVDE numeric @attribute IVDM numeric @attribute JGI1 numeric @attribute JGI10 numeric @attribute JGI2 numeric @attribute JGI3 numeric @attribute JGI4 numeric @attribute JGI5 numeric @attribute JGI6 numeric @attribute JGI7 numeric @attribute JGI8 numeric @attribute JGI9 numeric @attribute JGT numeric @attribute LLS_01 numeric @attribute LLS_02 numeric @attribute LOC numeric @attribute LPRS numeric @attribute MATS1e numeric @attribute MATS1i numeric @attribute MATS1m numeric @attribute MATS1p numeric @attribute MATS1s numeric @attribute MATS1v numeric @attribute MATS2e numeric @attribute MATS2i numeric @attribute MATS2m numeric @attribute MATS2p numeric @attribute MATS2s numeric @attribute MATS2v numeric @attribute MATS3e numeric @attribute MATS3i numeric @attribute MATS3m numeric @attribute MATS3p numeric @attribute MATS3s numeric @attribute MATS3v numeric @attribute MATS4e numeric @attribute MATS4i numeric @attribute MATS4m numeric @attribute MATS4p numeric @attribute MATS4s numeric @attribute MATS4v numeric @attribute MATS5e numeric @attribute MATS5i numeric @attribute MATS5m numeric @attribute MATS5p numeric @attribute MATS5s numeric @attribute MATS5v numeric @attribute MATS6e numeric @attribute MATS6i numeric @attribute MATS6m numeric @attribute MATS6p numeric @attribute MATS6s numeric @attribute MATS6v numeric @attribute MATS7e numeric @attribute MATS7i numeric @attribute MATS7m numeric @attribute MATS7p numeric @attribute MATS7s numeric @attribute MATS7v numeric @attribute MATS8e numeric @attribute MATS8i numeric @attribute MATS8m numeric @attribute MATS8p numeric @attribute MATS8s numeric @attribute MATS8v numeric @attribute MAXDN numeric @attribute MAXDP numeric @attribute MCD numeric @attribute MDDD numeric @attribute Me numeric @attribute Mi numeric @attribute MLOGP numeric @attribute MLOGP2 numeric @attribute Mp numeric @attribute MPC01 numeric @attribute MPC02 numeric @attribute MPC03 numeric @attribute MPC04 numeric @attribute MPC05 numeric @attribute MPC06 numeric @attribute MPC07 numeric @attribute MPC08 numeric @attribute MPC09 numeric @attribute MPC10 numeric @attribute MSD numeric @attribute Mv numeric @attribute MW numeric @attribute MWC01 numeric @attribute MWC02 numeric @attribute MWC03 numeric @attribute MWC04 numeric @attribute MWC05 numeric @attribute MWC06 numeric @attribute MWC07 numeric @attribute MWC08 numeric @attribute MWC09 numeric @attribute MWC10 numeric @attribute N. numeric @attribute N.066 numeric @attribute N.072 numeric @attribute N.075 numeric @attribute NaaCH numeric @attribute NaaN numeric @attribute NaaO numeric @attribute NaasC numeric @attribute nAB numeric @attribute nArOH 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 nCIC numeric @attribute nCIR numeric @attribute nCL numeric @attribute nCp numeric @attribute nCq numeric @attribute nCrq numeric @attribute nCrs numeric @attribute nCrt numeric @attribute nCs numeric @attribute nCsp2 numeric @attribute nCsp3 numeric @attribute nCt numeric @attribute nDB numeric @attribute NddssS numeric @attribute NdO numeric @attribute NdssC numeric @attribute Neoplastic.80 numeric @attribute nH numeric @attribute nHAcc numeric @attribute nHDon numeric @attribute nHet numeric @attribute nHM numeric @attribute nN numeric @attribute nO numeric @attribute nOxazoles numeric @attribute nR05 numeric @attribute nR06 numeric @attribute nRCONHR numeric @attribute nRNH2 numeric @attribute nRNHR numeric @attribute nROR numeric @attribute NRS numeric @attribute nS numeric @attribute NsCH3 numeric @attribute NsCl numeric @attribute nSK numeric @attribute NsNH2 numeric @attribute nSO2N numeric @attribute NsOH numeric @attribute NssCH2 numeric @attribute NssNH numeric @attribute NssO numeric @attribute NsssCH numeric @attribute NssssC numeric @attribute nX numeric @attribute O. numeric @attribute O.057 numeric @attribute O.058 numeric @attribute O.059 numeric @attribute O.060 numeric @attribute ON0 numeric @attribute ON0V numeric @attribute ON1 numeric @attribute ON1V numeric @attribute PCD numeric @attribute PCR numeric @attribute PDI numeric @attribute PHI numeric @attribute piID numeric @attribute piPC01 numeric @attribute piPC02 numeric @attribute piPC03 numeric @attribute piPC04 numeric @attribute piPC05 numeric @attribute piPC06 numeric @attribute piPC07 numeric @attribute piPC08 numeric @attribute piPC09 numeric @attribute piPC10 numeric @attribute PJI2 numeric @attribute Pol numeric @attribute Psi_e_0 numeric @attribute Psi_e_1 numeric @attribute Psi_e_A numeric @attribute Psi_i_0 numeric @attribute Psi_i_1 numeric @attribute Psi_i_A numeric @attribute Psi_i_s numeric @attribute 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_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 RDCHI numeric @attribute RDSQ numeric @attribute Rperim numeric @attribute S0K numeric @attribute S.110 numeric @attribute S1K numeric @attribute S2K numeric @attribute S3K numeric @attribute SAacc numeric @attribute SaaCH numeric @attribute SaaN numeric @attribute SaaO 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.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 SssNH numeric @attribute SssO numeric @attribute SsssCH 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 1.422,2 15.231,3 6.303,4 39.73,5 150.622,6 6.892,7 0.439,8 4.394,9 4.514,10 3.863,11 3.942,12 5.507,13 3.899,14 4.926,15 5.097,16 4.191,17 4.33,18 6.066,19 4.248,20 5.274,21 5.498,22 4.265,23 4.493,24 6.303,25 4.378,26 5.38,27 5.627,28 4.238,29 4.495,30 6.366,31 4.377,32 5.371,33 5.606,34 4.378,35 4.491,36 6.536,37 4.405,38 5.409,39 5.632,40 4.427,41 4.497,42 6.681,43 4.425,44 5.432,45 5.655,46 4.329,47 4.507,48 6.571,49 4.423,50 5.42,51 5.647,52 4.373,53 4.54,54 6.526,55 4.446,56 0.068,57 1.02,58 16.855,59 7.633,60 17.939,61 10.025,62 0.355,63 1.659,64 29.974,65 12.592,66 80.785,67 17.334,68 0.636,69 2.179,70 44.811,71 16.731,72 95.121,73 23.507,74 0.578,75 2.297,76 51.18,77 17.748,78 119.885,79 24.986,80 0.685,81 2.286,82 50.707,83 17.227,84 157,85 24.22,86 0.999,87 2.352,88 53.304,89 16.934,90 183.649,91 23.652,92 0.844,93 2.324,94 55.004,95 17.684,96 179.473,97 23.826,98 0.517,99 2.341,100 52.99,101 18.911,102 123.934,103 25.771,104 61,105 54,106 0.219,107 0.517,108 0.678,109 0.801,110 0.852,111 0.86,112 3.693,113 0.983,114 -5.25,115 -5.14,116 -4.81,117 41.6,118 2,119 5,120 1,124 3,126 14,127 4,134 3,140 26,144 3,145 3,146 2,147 31,149 3,150 3,151 3,152 6,154 25,155 2,157 4,158 1,161 7,162 15,163 4,165 1,166 7,167 1,168 1,169 13,170 2,171 13,172 6,173 1,174 11,175 3,176 2,177 13,180 11,181 5,183 8,187 10,190 14,191 7,193 10,194 2,198 13,199 2,200 17,201 6,202 1,203 9,205 2,206 1,207 11,208 18,209 5,211 3525,212 25.827,213 25.827,214 25.827,215 25.827,216 25.827,217 23.169,218 17.482,219 15.657,220 25.919,221 20.234,222 20.234,223 20.234,224 20.234,225 20.234,226 16.339,227 14.816,228 7.474,229 20.381,230 4.845,231 2.9,232 1.852,233 1.052,234 0.721,235 0.669,236 4.373,239 1,240 1239,241 5.477,243 507.537,244 2.249,245 49.689,246 0.75,247 0.67,248 0.67,249 0.9,250 0.67,251 0.5,252 0.74,253 84,254 594,255 4.249,256 3.832,257 6.178,258 3.924,259 2.941,260 3.89,261 9.139,262 2.895,263 4.074,264 3.748,265 6.142,266 3.864,267 2.869,268 3.447,269 2.375,270 9.046,271 2.843,272 3.944,273 3.633,274 5.963,275 3.732,276 2.747,277 3.343,278 1.954,279 8.414,280 2.694,281 3.875,282 2.9,283 5.759,284 3.561,285 2.56,286 3.189,287 0.509,288 7.651,289 2.556,290 3.766,291 2.724,292 5.33,293 3.456,294 2.456,295 3.014,296 0.25,297 6.915,298 2.447,299 3.657,300 2.638,301 5.251,302 3.299,303 2.301,304 2.86,306 6.566,307 2.289,308 3.252,309 2.417,310 4.659,311 3.171,312 2.169,313 2.56,314 5.15,315 2.171,316 3.205,317 2.186,318 4.444,319 2.802,320 1.802,321 2.209,322 4.495,323 1.801,324 2.94,325 2.006,326 4.206,327 2.544,328 1.543,329 2.103,330 3.754,331 1.539,332 2.748,333 1.812,334 3.802,335 2.451,336 1.465,337 1.735,338 3.251,339 1.427,340 2.651,341 1.777,342 3.617,343 2.207,344 1.208,345 1.686,346 2.785,347 1.198,348 2.5,349 1.553,350 3.541,351 2.16,352 1.161,353 1.5,354 2.709,355 1.151,356 2.5,357 1.184,358 3.467,359 2,360 1,361 1.5,362 2.275,363 1,364 2.5,365 1,366 3.414,367 2,368 1,369 1.5,370 2.269,371 1,372 2.448,373 1,374 3.247,375 2,376 1,377 1.378,378 2.136,379 1,380 18.467,381 0.474,382 0.949,383 0.024,384 45.25,385 1.16,386 22.5,387 0.577,388 22.75,389 0.583,390 41.327,391 1.06,392 43.333,393 0.563,394 40.712,395 1.044,396 8.878,397 0.228,398 9.845,399 0.252,400 0.144,402 0.298,403 0.771,404 1.153,405 0.901,406 1.066,407 0.696,408 1.009,409 0.434,410 1.244,411 0.932,412 1.177,413 0.413,414 1.135,415 0.739,416 1.046,417 1.022,418 1.063,419 0.806,420 1.082,421 1.127,422 0.982,423 1.02,424 0.945,425 1.117,426 0.958,427 1.056,428 1.068,429 0.903,430 0.963,431 1.034,432 0.913,433 1.269,434 1.013,435 1.028,436 0.964,437 1.215,438 0.95,439 1.769,440 0.912,441 1.185,442 0.892,443 1.79,444 0.937,445 1.244,446 1.09,447 0.999,448 1.063,449 1.253,450 1.006,451 8,452 0.359,453 4,454 1.75,455 1.884,456 1.569,457 0.996,458 0.896,459 0.588,460 0.426,461 24215,462 61297,463 1.98,464 49.4,465 11,466 17,469 4,471 6,473 1.798,474 1.843,475 3.829,476 1.376,479 109.512,480 1.422,481 3.367,482 4.415,483 5.215,484 5.546,485 5.598,486 3.318,487 4.651,488 5.254,489 4.04,490 2993.78,491 9.289,492 52782.3,495 482.543,496 1.441,497 5.208,498 0.195,499 0.007,500 0.074,501 0.032,502 0.036,503 0.026,504 0.016,505 0.016,506 0.01,507 0.008,508 0.419,510 0.75,511 1.136,512 220.46,513 -0.071,514 0.049,515 0.001,516 0.068,517 -0.067,518 0.049,519 0.217,520 -0.112,521 -0.017,522 -0.099,523 0.183,524 -0.096,525 0.103,526 0.008,527 -0.059,528 -0.064,529 -0.01,530 -0.088,531 -0.105,532 0.012,533 -0.022,534 0.018,535 -0.116,536 0.014,537 0.066,538 -0.063,539 0.107,540 -0.001,541 0.086,542 0.051,543 0.096,544 0.017,545 0.015,546 -0.03,547 0.11,548 -0.019,549 -0.254,550 0.073,551 -0.126,552 0.048,553 -0.232,554 -0.007,555 -0.073,556 -0.115,557 0.01,558 -0.079,559 -0.06,560 -0.03,561 2.808,562 6.302,563 0.462,564 51.286,565 0.997,566 1.124,567 4.022,568 16.179,569 0.649,570 3.738,571 4.007,572 4.174,573 4.331,574 4.554,575 4.533,576 4.585,577 4.7,578 4.718,579 4.682,580 8.815,581 0.612,582 530.72,583 3.738,584 5.252,585 6.057,586 6.895,587 7.721,588 8.561,589 9.396,590 10.238,591 11.077,592 11.921,593 2.6,595 1,597 14,600 4,601 18,604 77,605 21,606 3,607 41,608 79,609 32,610 18,611 4,612 14,613 3,614 3,616 2,621 8,622 21,623 11,624 1,625 3,627 3,628 3,630 38,631 7,632 4,633 7,635 2,636 5,639 3,640 1,642 1,644 3,646 2,648 39,651 2,652 5,653 2,655 4,658 6.5,659 2,660 3,663 21.167,664 13.65,665 8.778,666 4.711,667 2.602,668 1.349,669 0.91,670 11.728,671 10.068,672 3.989,673 4.472,674 4.881,675 5.314,676 5.819,677 5.834,678 6.152,679 6.464,680 6.738,681 6.918,682 1,683 55,684 14.632,685 6.247,686 7.923,687 27.498,688 22.289,689 2.423,690 94.5,692 400.217,693 182.257,694 36.022,696 160.801,698 182.257,699 561.019,700 36.022,701 17.65,702 30.683,703 150.678,704 167.326,705 12.742,707 400.217,709 400.217,710 218.279,711 160.801,713 329.591,714 231.428,716 66.345,717 151.934,719 400.217,720 196.823,721 182.257,723 400.217,724 31.939,725 150.318,726 36.022,727 160.801,728 400.217,729 196.823,730 182.257,731 0.571,732 0.312,733 0.154,734 0.092,735 20,736 11,737 0.19,738 15,739 4.831,740 354.748,741 18,742 192.131,744 30.079,745 15.206,746 9.974,747 196.823,748 27.043,751 3.869,752 121.388,753 779.298,754 53,756 37.41,757 -2.687,758 76.745,759 86.517,760 0.227,761 0.537,762 0.705,763 0.832,764 0.885,765 0.893,766 5.201,767 1.802,768 6.019,769 5.15,770 4.691,771 5.159,772 3.263,773 6.744,774 4.675,775 6.363,776 1.543,777 7.532,778 4.495,779 4.205,780 4.745,781 3.08,782 7.503,783 4.177,784 7.624,785 1.465,786 9.144,787 3.754,788 6.209,789 7.154,790 4.6,791 10.522,792 6.172,793 8.912,794 1.208,795 10.813,796 3.251,797 6.509,798 7.484,799 5.013,800 12.086,801 6.457,802 10.228,803 1.161,804 12.518,805 2.785,806 7.984,807 9.418,808 6.138,809 14.6,810 7.923,811 11.563,812 1,813 14.248,814 2.709,815 8.648,816 10.107,817 6.791,818 16.498,819 8.57,820 12.913,821 1,822 15.994,823 2.275,824 9.893,825 11.817,826 7.765,827 18.82,828 9.806,829 2.941,830 1,831 17.753,832 2.269,833 10.742,834 12.72,835 8.527,836 20.871,837 10.636,838 2.869,839 9.139,840 19.521,841 2.136,842 11.879,843 14.298,844 9.437,845 23.115,846 11.762,847 2.747,848 9.046,849 21.296,850 3.89,851 12.823,852 15.343,853 10.251,854 25.239,855 12.689,856 2.56,857 8.414,858 23.076,859 3.447,860 13.911,861 16.836,862 11.133,863 27.452,864 13.765,865 2.456,866 7.651,867 24.86,868 3.343,869 14.906,870 17.98,871 11.972,872 29.611,873 14.743,874 2.301,875 6.915,876 26.648,877 3.189,878 15.972,879 19.418,880 12.843,881 31.812,882 15.796,883 2.169,884 6.566,885 28.438,886 3.014,887 16.995,888 20.631,889 13.694,890 33.99,891 16.802,892 23692,893 37877,894 26.641,895 49.989,896 60.611,897 61.777,898 61.587,899 59.903,900 59.878,901 75.76,902 14.929,903 161.063,904 59.412,905 5.212,906 5.832,907 5.98,908 4.96,909 4.941,910 6.89,911 3.991,912 15.541,913 4.895,914 22.534,915 1.478,916 1.507,917 1.502,918 1.461,919 1.46,920 1.848,921 0.364,922 3.928,923 1.449,924 4.027,925 4.056,926 3.964,927 3.975,928 7.477,929 3.968,930 3.935,931 3.97,932 3.856,933 3.869,934 7.471,935 3.861,936 3.843,937 3.887,938 3.761,939 3.729,940 7.427,941 3.726,942 3.78,943 3.819,944 3.69,945 3.685,946 6.352,947 3.679,948 3.665,949 3.719,950 3.544,951 3.509,952 6.35,953 3.509,954 3.611,955 3.644,956 3.522,957 3.428,958 4.839,959 3.446,960 3.429,961 3.47,962 3.325,963 3.256,964 4.75,965 3.257,966 3.212,967 3.242,968 3.084,969 2.99,970 4.604,971 3.008,972 0.104,973 0.093,974 0.151,975 0.096,976 0.072,977 4.249,978 0.095,979 3.832,980 0.058,981 6.178,982 0.223,983 3.924,984 0.071,985 2.941,986 3.89,987 9.139,988 2.895,989 2.001,990 1.979,991 2.104,992 2.069,993 1.365,994 2.081,995 1.928,996 1.897,997 2.069,998 2.029,999 1.285,1000 2.043,1001 1.819,1002 1.778,1003 2.031,1004 1.974,1005 1.264,1006 1.991,1007 1.787,1008 1.743,1009 1.942,1010 1.901,1011 1.092,1012 1.917,1013 1.643,1014 1.592,1015 1.846,1016 1.834,1017 1.03,1018 1.843,1019 1.545,1020 1.508,1021 1.73,1022 1.75,1023 0.936,1024 1.74,1025 1.398,1026 1.346,1027 1.647,1028 1.603,1029 0.835,1030 1.616,1031 1.131,1032 1.094,1033 1.417,1034 1.405,1035 0.557,1036 1.39,1037 4.419,1038 5.7,1040 7.157,1042 8.688,1044 10.258,1045 4.052,1048 19.708,1049 2.052,1050 5.667,1052 -2.613,1054 47.099,1055 109.512,1056 259.233,1057 339.955,1058 401.523,1059 427.033,1060 431.033,1061 137.192,1062 7.466,1063 115.73,1064 115.73,1065 18,1066 12.484,1067 4.459,1068 3.7,1069 83.563,1070 201,1071 225,1072 0.191,1073 293.986,1074 526.65,1075 709.086,1076 18619,1078 28.2,1079 0.723,1080 0.578,1081 28.2,1082 22.547,1083 18.723,1084 0.457,1085 0.328,1086 13.32,1087 18.253,1088 12.955,1089 10.838,1090 18.723,1091 13.429,1092 16.684,1093 0.309,1094 0.19,1095 16.684,1096 10.272,1097 12.6,1098 0.197,1099 0.105,1100 12.6,1101 6.73,1102 9.46,1103 0.126,1104 0.059,1105 9.46,1106 4.439,1107 7.93,1108 0.084,1109 0.033,1110 7.93,1111 3.14,1112 0.305,1113 116.043,1114 0.194,1115 35.617,1116 0.51,1117 190,1118 542.172,1119 205.178,1120 526.494,1121 689.96,1122 486,1123 213,1124 476.632,1125 226.438,1126 485.144,1127 695.14,1128 456,1129 8.824} {0 CHEMBL1778527,1 1.59,2 10.786,3 1.913,4 3.658,5 98.199,6 6.939,7 0.172,8 4.119,9 4.24,10 3.579,11 3.534,12 5.237,13 3.524,14 4.697,15 4.882,16 3.958,17 3.939,18 5.871,19 3.89,20 5.029,21 5.27,22 4.014,23 4.065,24 6.104,25 3.991,26 5.092,27 5.318,28 4.055,29 4.084,30 6.226,31 4.042,32 5.089,33 5.291,34 4.178,35 4.129,36 6.427,37 4.094,38 5.164,39 5.371,40 4.17,41 4.172,42 6.506,43 4.114,44 5.199,45 5.449,46 3.94,47 4.112,48 6.291,49 4.012,50 5.08,51 5.343,52 3.784,53 3.922,54 6.171,55 3.838,56 0.133,57 0.779,58 13.112,59 5.227,60 21.313,61 7.143,62 0.504,63 1.23,64 24.78,65 8.445,66 90.649,67 12.52,68 0.869,69 1.458,70 36.709,71 9.972,72 109.002,73 15.691,74 1.007,75 1.464,76 39.845,77 9.971,78 143.704,79 15.249,80 1.201,81 1.488,82 39.33,83 10.753,84 186.118,85 15.963,86 1.288,87 1.537,88 42.565,89 11.964,90 205.965,91 17.561,92 1.072,93 1.478,94 44.77,95 11.938,96 173.036,97 18.123,98 1.039,99 1.245,100 40.486,101 9.532,102 151.895,103 15.015,104 69,105 40,106 0.265,107 0.551,108 0.738,109 0.847,110 0.858,111 0.864,112 3.375,113 1.012,114 -2.05,115 -2.09,116 -2.08,117 33.3,118 2,119 8,124 2,125 1,130 1,132 1,134 3,135 1,140 6,142 1,143 3,144 3,145 4,146 2,147 4,149 6,150 3,151 3,152 7,155 1,157 5,158 3,159 2,161 4,162 3,163 3,165 3,166 4,167 1,168 3,169 5,170 2,171 7,172 4,173 3,174 5,175 3,176 2,177 6,180 6,181 3,183 8,185 2,187 5,190 3,191 3,193 8,194 2,198 3,199 2,200 1,201 1,202 1,203 4,204 2,205 2,206 1,207 2,208 3,209 1,211 1296,212 18.369,213 18.369,214 18.369,215 18.369,216 18.369,217 17.294,218 18.445,219 10.806,220 18.519,221 14.144,222 14.144,223 14.144,224 14.144,225 14.144,226 12.389,227 17.509,228 4.869,229 14.406,230 4.243,231 2.532,232 1.413,233 0.763,234 0.693,235 0.658,236 4.03,238 1,239 1,240 609,241 5,242 195.044,244 1.515,245 51.477,246 1,247 0.67,248 0.83,249 1,250 0.67,252 0.74,253 63.5,254 302,255 4.566,256 4.084,257 7.628,258 4.485,259 3.503,260 3.739,261 13.901,262 3.436,263 4.139,264 3.752,265 6.003,266 3.812,267 2.839,268 3.669,269 2.375,270 8.604,271 2.758,272 3.867,273 3.711,274 5.897,275 3.641,276 2.655,277 3.037,278 1.954,279 8.054,280 2.604,281 3.811,282 2.923,283 5.581,284 3.554,285 2.578,286 2.973,287 0.509,288 7.546,289 2.503,290 3.191,291 2.797,292 4.871,293 2.886,294 1.901,295 2.362,296 0.25,297 5.428,298 1.867,299 3.061,300 2.371,301 4.817,302 2.763,303 1.75,304 2.078,306 4.582,307 1.757,308 2.655,309 2.108,310 3.962,311 2.438,312 1.438,313 1.607,314 3.14,315 1.421,316 2.406,317 1.875,318 3.715,319 2.266,320 1.28,321 1.351,322 2.761,323 1.254,324 2.267,325 1.397,326 3.618,327 1.989,328 0.984,329 1.19,330 2.295,331 0.975,332 2.176,333 1.052,334 3.558,335 1.743,336 0.763,337 1.016,338 1.726,339 0.742,340 1.843,341 0.873,342 3.285,343 1.68,344 0.689,345 0.767,346 1.464,347 0.676,348 1.618,349 0.618,350 3.126,351 1.618,352 0.618,353 0.618,354 1.349,355 0.618,356 1.491,357 0.549,358 2.883,359 1.31,360 0.335,361 0.38,362 0.495,363 0.326,364 0.982,365 0.456,366 2.547,367 0.724,368 -0.266,369 -0.298,370 -0.615,371 -0.261,372 0.683,373 0.427,374 2.467,375 0.64,376 -0.333,377 -0.345,378 -0.742,379 -0.323,380 12.7,381 0.454,382 0.778,383 0.028,384 26.25,385 0.938,386 8.5,387 0.304,388 17.75,389 0.634,390 31.839,391 1.137,392 34.1,393 0.598,394 22.229,395 0.794,396 4.712,397 0.168,398 8.596,399 0.307,400 0.21,401 0.039,402 0.276,403 0.825,404 1.529,405 0.886,406 1.339,407 0.694,408 1.149,409 0.49,410 1.482,411 0.817,412 1.309,413 0.393,414 1.165,415 0.806,416 1.08,417 0.942,418 1.025,419 0.795,420 1.008,421 1.329,422 0.926,423 1.098,424 0.887,425 1.322,426 0.914,427 1.046,428 1.074,429 0.988,430 1.037,431 1.065,432 0.999,433 1.028,434 1.073,435 1.034,436 1.119,437 1.193,438 1.091,439 1.171,440 0.972,441 1.056,442 1.01,443 1.31,444 1.012,445 1.342,446 0.839,447 1.045,448 0.817,449 1.275,450 0.849,451 7.5,452 0.106,453 3.556,454 2.194,455 1.93,456 1.167,457 0.89,458 0.519,459 0.354,460 0.18,461 8219,462 24527,463 1.908,464 50.9,465 12,466 2,467 1,469 4,470 4,471 6,473 1.717,474 1.741,475 3.374,476 1.733,477 1,478 1,479 90.618,480 1.59,481 3.301,482 4.42,483 5.07,484 5.14,485 5.175,486 2.839,487 4.307,488 4.778,489 3.518,490 1329.81,491 8.343,492 17553.8,493 1,494 1,495 332.475,496 1.686,497 4.698,498 0.259,499 0.006,500 0.089,501 0.055,502 0.046,503 0.025,504 0.02,505 0.015,506 0.012,507 0.007,508 0.532,509 0.17,510 0.88,511 1.588,512 139.774,513 -0.098,514 -0.114,515 0.002,516 -0.018,517 -0.054,518 0.013,519 0.211,520 -0.244,521 0.088,522 -0.136,523 0.204,524 -0.07,525 0.041,526 -0.008,527 0.02,528 -0.042,529 -0.007,530 -0.023,531 -0.211,532 0.103,533 -0.083,534 0.058,535 -0.197,536 0.031,537 0.08,538 -0.021,539 0.017,540 -0.023,541 0.099,542 -0.016,543 0.094,544 -0.057,545 -0.033,546 -0.103,547 0.064,548 -0.104,549 -0.127,550 -0.056,551 -0.06,552 -0.056,553 -0.164,554 -0.046,555 -0.205,556 0.029,557 -0.019,558 0.066,559 -0.168,560 0.073,561 2.86,562 6.015,563 0.357,564 24.959,565 1.013,566 1.143,567 0.815,568 0.664,569 0.608,570 3.401,571 3.714,572 3.932,573 4.111,574 4.205,575 4.22,576 4.174,577 4.159,578 3.989,579 3.807,580 6.322,581 0.582,582 395.51,583 3.401,584 4.934,585 5.765,586 6.64,587 7.502,588 8.381,589 9.254,590 10.136,591 11.014,592 11.898,593 5.3,595 1,596 1,597 1,598 1,599 1,600 2,601 5,604 57,605 8,607 29,608 58,609 19,610 3,613 2,614 2,616 2,619 4,620 1,621 10,622 6,623 13,624 1,625 3,627 3,628 3,629 1,630 29,631 9,632 4,633 9,635 3,636 6,637 1,638 2,640 1,642 1,644 2,646 2,648 28,651 2,652 8,653 2,655 2,656 1,658 10.5,659 2,660 3,662 1,663 16.083,664 10.267,665 6.431,666 3.86,667 0.813,668 1.125,669 0.859,670 8.166,671 7.331,672 3.57,673 4.012,674 4.355,675 4.683,676 4.809,677 4.885,678 4.923,679 5.07,680 4.958,681 4.831,682 1,683 40,684 10.572,685 4.627,686 8.17,687 19.48,688 15.891,689 2.67,690 74.75,692 294.278,693 63.967,694 52.807,696 170.309,698 63.967,699 464.586,700 52.807,701 17.65,702 38.287,703 29.75,704 189.131,705 12.264,706 11.771,707 282.506,709 294.278,710 116.774,711 170.309,713 223.651,714 240.935,716 81.725,717 18.264,718 16.786,719 294.278,720 223.116,721 63.967,723 294.278,724 34.577,725 29.39,726 36.022,727 187.094,728 294.278,729 223.116,730 63.967,731 0.574,732 0.338,733 0.172,734 0.093,735 16,736 9,737 0.19,738 11,739 3.737,740 229.828,741 10,742 130.606,744 22.535,745 10.147,746 5.871,747 223.116,748 1.471,749 4.194,750 5.277,751 0.954,752 121.388,753 581.361,754 34.5,756 36.22,757 -2.689,758 57.756,759 65.149,760 0.273,761 0.566,762 0.758,763 0.869,764 0.881,765 0.887,766 4.83,767 1.28,768 5.79,769 3.14,770 4.394,771 4.696,772 3.263,773 6.648,774 4.355,775 6.011,776 0.984,777 7.396,778 2.761,779 4.205,780 4.605,781 3.08,782 7.991,783 4.14,784 7.323,785 0.763,786 9.122,787 2.295,788 6.08,789 6.673,790 4.6,791 11.027,792 5.993,793 8.67,794 0.689,795 10.925,796 1.726,797 6.735,798 7.384,799 5.013,800 13.257,801 6.626,802 10.053,803 0.618,804 12.783,805 1.464,806 8.137,807 8.969,808 6.138,809 15.955,810 8.005,811 11.458,812 0.335,813 14.681,814 1.349,815 9.131,816 10.002,817 6.791,818 18.471,819 8.981,820 12.881,821 -0.266,822 16.609,823 0.495,824 10.394,825 11.418,826 7.765,827 21.108,828 10.223,829 3.503,830 -0.333,831 18.561,832 -0.615,833 11.529,834 12.592,835 8.527,836 23.707,837 11.34,838 2.839,839 13.901,840 20.53,841 -0.742,842 12.759,843 13.942,844 9.437,845 26.337,846 12.55,847 2.655,848 8.604,849 22.514,850 3.739,851 13.952,852 15.182,853 10.251,854 28.959,855 13.726,856 2.578,857 8.054,858 24.508,859 3.669,860 15.181,861 16.507,862 11.133,863 31.59,864 14.936,865 1.901,866 7.546,867 26.511,868 3.037,869 16.402,870 17.779,871 11.972,872 34.218,873 16.139,874 1.75,875 5.428,876 28.521,877 2.973,878 17.637,879 19.093,880 12.843,881 36.85,882 17.355,883 1.438,884 4.582,885 30.535,886 2.362,887 18.871,888 20.383,889 13.694,890 39.481,891 18.572,892 8495,893 14811,894 18.087,895 34.642,896 43.247,897 43.739,898 46.163,899 42.73,900 42.668,901 49.574,902 14.929,903 122.691,904 41.871,905 5.545,906 5.93,907 7.39,908 5.528,909 5.503,910 6.349,911 3.991,912 21.313,913 5.39,914 18.091,915 1.491,916 1.508,917 1.592,918 1.473,919 1.471,920 1.709,921 0.515,922 4.231,923 1.444,924 3.984,925 4.026,926 3.914,927 3.832,928 7.477,929 3.839,930 3.898,931 3.93,932 3.83,933 3.716,934 7.471,935 3.741,936 3.705,937 3.757,938 3.59,939 3.555,940 7.427,941 3.549,942 3.623,943 3.664,944 3.529,945 3.43,946 6.352,947 3.445,948 3.38,949 3.435,950 3.218,951 3.148,952 6.35,953 3.156,954 3.328,955 3.394,956 3.152,957 3.089,958 5.139,959 3.099,960 3.216,961 3.226,962 3.127,963 2.936,964 4.37,965 2.977,966 2.928,967 2.979,968 2.772,969 2.671,970 4.117,971 2.655,972 0.157,973 0.141,974 0.263,975 0.155,976 0.121,977 4.566,978 0.129,979 4.084,980 0.082,981 7.628,982 0.479,983 4.485,984 0.118,985 3.503,986 3.739,987 13.901,988 3.436,989 1.786,990 1.741,991 1.98,992 1.987,993 1.296,994 1.977,995 1.68,996 1.634,997 1.879,998 1.887,999 1.211,1000 1.882,1001 1.624,1002 1.57,1003 1.86,1004 1.801,1005 1.178,1006 1.825,1007 1.577,1008 1.514,1009 1.858,1010 1.751,1011 1.092,1012 1.793,1013 1.558,1014 1.507,1015 1.768,1016 1.749,1017 1.05,1018 1.76,1019 1.279,1020 1.233,1021 1.547,1022 1.56,1023 0.726,1024 1.544,1025 1.138,1026 1.129,1027 1.352,1028 1.487,1029 0.376,1030 1.42,1031 1.053,1032 0.977,1033 1.263,1034 1.309,1035 0.299,1036 1.317,1037 4.078,1038 5.389,1039 3.045,1040 6.878,1041 5.283,1042 8.453,1043 7.273,1044 10.079,1045 3.781,1048 18.972,1049 4.122,1050 5.575,1052 -2.055,1053 -1.072,1054 33.201,1055 90.618,1056 188.171,1057 251.945,1058 288.965,1059 292.965,1060 294.965,1061 113.339,1062 6.518,1063 141.76,1064 141.76,1065 10,1066 12.432,1067 3.17,1068 2.7,1069 61.534,1070 104,1071 120,1072 0.287,1073 207.961,1074 374.18,1075 499.186,1076 4453,1078 20.734,1079 0.74,1080 0.584,1081 20.734,1082 16.364,1083 13.308,1084 0.459,1085 0.337,1086 9.632,1087 12.654,1088 9.431,1089 7.838,1090 13.308,1091 9.785,1092 11.896,1093 0.297,1094 0.182,1095 11.896,1096 7.268,1097 9.378,1098 0.188,1099 0.103,1100 9.378,1101 5.161,1102 7.077,1103 0.118,1104 0.06,1105 7.077,1106 3.571,1107 5.253,1108 0.08,1109 0.032,1110 5.253,1111 2.109,1112 0.444,1113 84.839,1114 0.235,1115 26.498,1116 0.809,1117 138,1118 479.552,1119 159.219,1120 443.958,1121 572.52,1122 408,1123 159,1124 396.094,1125 178.978,1126 389.644,1127 567.15,1128 366,1129 6.886} {0 CHEMBL1778528,1 1.549,2 11.6,3 2.621,4 6.868,5 107.349,6 6.723,7 0.161,8 4.208,9 4.334,10 3.642,11 3.632,12 5.297,13 3.61,14 4.796,15 4.987,16 4.023,17 4.045,18 5.925,19 3.983,20 5.135,21 5.377,22 4.07,23 4.188,24 6.171,25 4.094,26 5.232,27 5.485,28 4.132,29 4.201,30 6.297,31 4.136,32 5.164,33 5.365,34 4.26,35 4.221,36 6.492,37 4.185,38 5.265,39 5.478,40 4.216,41 4.252,42 6.561,43 4.187,44 5.232,45 5.474,46 3.99,47 4.183,48 6.313,49 4.079,50 5.178,51 5.448,52 3.886,53 4.044,54 6.211,55 3.948,56 0.106,57 0.856,58 14.855,59 5.91,60 19.192,61 8.166,62 0.481,63 1.36,64 27.826,65 9.6,66 90.31,67 14.24,68 0.818,69 1.641,70 40.615,71 11.608,72 104.834,73 18.119,74 0.989,75 1.658,76 45.893,77 11.685,78 142.458,79 18.298,80 1.145,81 1.648,82 42.546,83 11.55,84 181.128,85 17.372,86 1.367,87 1.671,88 47.628,89 13.103,90 207.801,91 19.336,92 0.945,93 1.581,94 45.655,95 12.695,96 157.028,97 19.092,98 0.958,99 1.412,100 43.933,101 10.832,102 147.677,103 17.118,104 87,105 43,106 0.253,107 0.532,108 0.729,109 0.831,110 0.841,111 0.846,112 3.44,113 1.03,114 -2.5,115 -2.52,116 -2.47,117 33.3,118 3,119 8,120 1,124 2,125 1,130 1,132 1,134 3,135 1,140 8,142 1,143 3,144 3,145 4,146 2,147 7,149 6,150 3,151 3,152 7,155 1,157 7,158 3,159 2,161 4,162 3,163 3,165 3,166 6,167 1,168 3,169 5,170 2,171 7,172 4,173 3,174 5,175 3,176 2,177 6,180 8,181 3,183 8,185 2,187 5,190 3,191 3,193 8,194 2,198 5,199 2,200 1,201 3,202 1,203 6,204 2,205 2,206 1,207 4,208 3,209 1,211 1560,212 19.361,213 19.361,214 19.361,215 19.361,216 19.361,217 18.285,218 18.445,219 11.456,220 19.511,221 15.217,222 15.217,223 15.217,224 15.217,225 15.217,226 13.495,227 17.509,228 5.284,229 15.475,230 4.428,231 2.724,232 1.517,233 0.893,234 0.83,235 0.798,236 4.096,238 1,239 1,240 700,241 5.292,242 210.844,244 1.733,245 52.945,246 1,247 0.67,248 0.83,249 1,250 0.67,252 0.74,253 67.5,254 348,255 4.566,256 4.084,257 7.628,258 4.485,259 3.503,260 3.744,261 13.901,262 3.436,263 4.149,264 3.752,265 6.004,266 3.822,267 2.848,268 3.67,269 2.375,270 8.618,271 2.768,272 3.871,273 3.711,274 5.897,275 3.647,276 2.663,277 3.039,278 1.954,279 8.058,280 2.608,281 3.813,282 2.952,283 5.627,284 3.591,285 2.608,286 2.973,287 0.509,288 7.708,289 2.55,290 3.331,291 2.799,292 4.998,293 3.17,294 2.179,295 2.464,296 0.25,297 5.933,298 2.155,299 3.063,300 2.477,301 4.846,302 2.763,303 1.75,304 2.079,306 4.591,307 1.758,308 2.888,309 2.109,310 4.332,311 2.667,312 1.679,313 1.929,314 4.289,315 1.654,316 2.655,317 1.998,318 3.962,319 2.438,320 1.438,321 1.607,322 3.14,323 1.421,324 2.39,325 1.726,326 3.709,327 2.262,328 1.277,329 1.34,330 2.756,331 1.251,332 2.255,333 1.397,334 3.618,335 1.958,336 0.955,337 1.161,338 2.27,339 0.943,340 2.171,341 1.052,342 3.555,343 1.724,344 0.743,345 1.01,346 1.707,347 0.723,348 1.843,349 0.799,350 3.278,351 1.667,352 0.684,353 0.767,354 1.464,355 0.667,356 1.618,357 0.618,358 3.122,359 1.618,360 0.618,361 0.618,362 1.349,363 0.618,364 1.04,365 0.549,366 2.866,367 0.813,368 -0.165,369 -0.186,370 -0.455,371 -0.161,372 0.782,373 0.456,374 2.47,375 0.642,376 -0.327,377 -0.329,378 -0.637,379 -0.316,380 13.7,381 0.457,382 0.922,383 0.031,384 27.25,385 0.908,386 8.5,387 0.283,388 18.75,389 0.625,390 36.352,391 1.212,392 36.7,393 0.583,394 23.243,395 0.775,396 4.712,397 0.157,398 9.452,399 0.315,400 0.231,401 0.036,402 0.292,403 0.817,404 1.527,405 0.917,406 1.354,407 0.696,408 1.178,409 0.482,410 1.449,411 0.829,412 1.29,413 0.385,414 1.156,415 0.788,416 1.144,417 0.99,418 1.107,419 0.787,420 1.088,421 1.217,422 0.881,423 0.962,424 0.808,425 1.217,426 0.814,427 1.099,428 1.117,429 1.039,430 1.077,431 1.102,432 1.035,433 1.187,434 1.023,435 1.081,436 1.057,437 1.213,438 1.055,439 1.23,440 1.038,441 1.109,442 1.075,443 1.383,444 1.073,445 1.295,446 0.872,447 0.983,448 0.815,449 1.253,450 0.826,451 8.5,452 0.156,453 3.556,454 2.444,455 1.965,456 1.382,457 0.89,458 0.55,459 0.453,460 0.22,461 10145,462 27849,463 1.896,464 52.4,465 16,466 2,467 1,469 4,470 4,471 6,473 1.733,474 1.722,475 3.472,476 1.664,478 1,479 97.6,480 1.549,481 3.253,482 4.461,483 5.084,484 5.148,485 5.179,486 2.937,487 4.215,488 4.876,489 3.657,490 1590.66,491 8.533,492 22270.8,493 1,495 376.569,496 1.703,497 4.792,498 0.274,499 0.007,500 0.083,501 0.058,502 0.043,503 0.027,504 0.019,505 0.015,506 0.013,507 0.007,508 0.546,509 0.17,510 0.88,511 1.647,512 154.129,513 -0.085,514 -0.103,515 0.005,516 -0.017,517 -0.053,518 0.011,519 0.215,520 -0.209,521 0.096,522 -0.108,523 0.208,524 -0.048,525 0.049,526 -0.053,527 -0.027,528 -0.099,529 -0.011,530 -0.086,531 -0.137,532 0.105,533 0.051,534 0.121,535 -0.139,536 0.132,537 0.078,538 -0.016,539 -0.013,540 -0.06,541 0.094,542 -0.05,543 0.059,544 -0.023,545 -0.05,546 -0.06,547 0.063,548 -0.082,549 -0.136,550 -0.081,551 -0.108,552 -0.095,553 -0.175,554 -0.098,555 -0.166,556 0.008,557 0.034,558 0.079,559 -0.153,560 0.101,561 2.858,562 6.105,563 0.333,564 29.067,565 1.008,566 1.143,567 1.266,568 1.602,569 0.606,570 3.466,571 3.784,572 3.97,573 4.174,574 4.263,575 4.304,576 4.29,577 4.248,578 4.159,579 4.007,580 6.867,581 0.575,582 423.57,583 3.466,584 5.004,585 5.826,586 6.703,587 7.557,588 8.439,589 9.306,590 10.19,591 11.064,592 11.949,593 4.8,595 1,596 1,597 1,598 1,599 1,600 2,601 5,604 63,605 8,607 31,608 64,609 21,610 3,613 2,614 2,616 3,619 4,620 1,621 10,622 6,623 15,624 2,625 3,627 3,628 3,629 1,630 33,631 9,632 4,633 9,635 3,636 6,637 1,638 2,640 1,642 1,644 2,646 3,648 30,651 2,652 8,653 2,655 3,656 1,658 9.5,659 2,660 3,662 1,663 17.417,664 11.6,665 6.764,666 4.193,667 0.862,668 1.129,669 0.857,670 9.016,671 7.549,672 3.624,673 4.065,674 4.38,675 4.737,676 4.88,677 5.012,678 5.129,679 5.165,680 5.158,681 5.111,682 0.875,683 42,684 11.335,685 4.938,686 8.103,687 21.053,688 17.246,689 2.603,690 78.083,691 1,692 341.362,693 72.793,694 52.807,696 170.309,698 72.793,699 511.671,700 52.807,701 26.476,702 38.287,703 29.75,704 189.131,705 12.264,706 11.771,707 329.591,709 341.362,710 125.6,711 170.309,713 270.735,714 240.935,716 90.55,717 18.264,718 16.786,719 341.362,720 223.116,721 72.793,723 341.362,724 34.577,725 38.215,726 36.022,727 187.094,728 341.362,729 223.116,730 72.793,731 0.578,732 0.322,733 0.169,734 0.091,735 17,736 10,737 0.188,738 12,739 3.904,740 251.322,741 10,742 141.207,744 24.516,745 11.033,746 6.889,747 223.116,748 1.512,749 4.316,750 5.387,751 0.995,752 121.388,753 637.27,754 36.5,756 36.465,757 -2.685,758 63.523,759 71.979,760 0.259,761 0.544,762 0.746,763 0.851,764 0.861,765 0.867,766 4.892,767 1.438,768 5.855,769 4.289,770 4.466,771 4.749,772 3.263,773 6.703,774 4.429,775 6.073,776 1.277,777 7.453,778 3.14,779 4.29,780 4.663,781 3.08,782 8.015,783 4.231,784 7.379,785 0.955,786 9.17,787 2.756,788 6.138,789 6.705,790 4.6,791 11.051,792 6.056,793 8.719,794 0.743,795 10.963,796 2.27,797 6.781,798 7.409,799 5.013,800 13.265,801 6.678,802 10.094,803 0.684,804 12.813,805 1.707,806 8.176,807 8.988,808 6.138,809 15.963,810 8.05,811 11.493,812 0.618,813 14.703,814 1.464,815 9.16,816 10.016,817 6.791,818 18.474,819 9.014,820 12.91,821 -0.165,822 16.626,823 1.349,824 10.42,825 11.431,826 7.765,827 21.111,828 10.252,829 3.503,830 -0.327,831 18.573,832 -0.455,833 11.547,834 12.603,835 8.527,836 23.708,837 11.361,838 2.848,839 13.901,840 20.539,841 -0.637,842 12.775,843 13.953,844 9.437,845 26.338,846 12.569,847 2.663,848 8.618,849 22.52,850 3.744,851 13.964,852 15.193,853 10.251,854 28.959,855 13.74,856 2.608,857 8.058,858 24.513,859 3.67,860 15.191,861 16.518,862 11.133,863 31.59,864 14.948,865 2.179,866 7.708,867 26.515,868 3.039,869 16.41,870 17.791,871 11.972,872 34.218,873 16.148,874 1.75,875 5.933,876 28.523,877 2.973,878 17.643,879 19.106,880 12.843,881 36.85,882 17.362,883 1.679,884 4.591,885 30.537,886 2.464,887 18.877,888 20.396,889 13.694,890 39.481,891 18.577,892 10483,893 17537,894 19.186,895 38.165,896 46.613,897 47.49,898 49.207,899 45.961,900 45.894,901 52.802,902 14.929,903 131.572,904 45.098,905 5.545,906 5.93,907 7.39,908 5.528,909 5.503,910 6.359,911 3.991,912 21.313,913 5.394,914 20.484,915 1.504,916 1.532,917 1.587,918 1.483,919 1.48,920 1.703,921 0.482,922 4.244,923 1.455,924 3.99,925 4.03,926 3.921,927 3.836,928 7.477,929 3.844,930 3.907,931 3.942,932 3.834,933 3.743,934 7.471,935 3.76,936 3.708,937 3.759,938 3.596,939 3.556,940 7.427,941 3.55,942 3.665,943 3.719,944 3.543,945 3.509,946 6.352,947 3.507,948 3.533,949 3.575,950 3.404,951 3.305,952 6.35,953 3.33,954 3.379,955 3.433,956 3.218,957 3.145,958 5.138,959 3.154,960 3.22,961 3.232,962 3.147,963 2.95,964 4.37,965 2.987,966 2.986,967 3.03,968 2.832,969 2.723,970 4.219,971 2.747,972 0.147,973 0.132,974 0.246,975 0.145,976 0.113,977 4.566,978 0.121,979 4.084,980 0.077,981 7.628,982 0.448,983 4.485,984 0.111,985 3.503,986 3.744,987 13.901,988 3.436,989 1.787,990 1.742,991 1.991,992 1.987,993 1.296,994 1.978,995 1.753,996 1.697,997 1.98,998 1.909,999 1.26,1000 1.938,1001 1.674,1002 1.63,1003 1.863,1004 1.883,1005 1.211,1006 1.879,1007 1.577,1008 1.516,1009 1.86,1010 1.751,1011 1.177,1012 1.793,1013 1.562,1014 1.507,1015 1.769,1016 1.75,1017 1.085,1018 1.761,1019 1.311,1020 1.261,1021 1.547,1022 1.561,1023 0.726,1024 1.544,1025 1.279,1026 1.233,1027 1.537,1028 1.529,1029 0.661,1030 1.528,1031 1.127,1032 1.112,1033 1.417,1034 1.464,1035 0.469,1036 1.405,1037 4.143,1038 5.46,1039 3.045,1040 6.942,1041 5.283,1042 8.51,1043 7.273,1044 10.129,1045 5.973,1048 19.1,1049 4.168,1050 5.61,1052 -1.68,1053 -1.078,1054 36.255,1055 97.6,1056 204.943,1057 281.02,1058 320.304,1059 324.304,1060 326.304,1061 128.899,1062 6.687,1063 141.76,1064 141.76,1065 10,1066 12.484,1067 3.17,1068 2.7,1069 68.935,1070 122,1071 132,1072 0.275,1073 227.146,1074 408.78,1075 545.997,1076 5733,1078 22.311,1079 0.744,1080 0.598,1081 22.311,1082 17.941,1083 14.164,1084 0.457,1085 0.343,1086 10.488,1087 13.51,1088 10.195,1089 8.531,1090 14.164,1091 10.641,1092 13.118,1093 0.305,1094 0.198,1095 13.118,1096 8.512,1097 9.605,1098 0.185,1099 0.104,1100 9.605,1101 5.417,1102 7.587,1103 0.119,1104 0.061,1105 7.587,1106 3.921,1107 5.531,1108 0.079,1109 0.032,1110 5.531,1111 2.241,1112 0.43,1113 89.974,1114 0.228,1115 28.235,1116 0.762,1117 148,1118 489.552,1119 169.219,1120 455.242,1121 587.06,1122 418,1123 169,1124 406.094,1125 188.978,1126 401.687,1127 583.17,1128 376,1129 7.125} {0 CHEMBL1778529,1 1.583,2 12.313,3 2.91,4 8.468,5 113.745,6 7.271,7 0.324,8 4.197,9 4.31,10 3.71,11 3.67,12 5.342,13 3.661,14 4.753,15 4.918,16 4.087,17 4.076,18 5.953,19 4.033,20 5.092,21 5.319,22 4.141,23 4.202,24 6.179,25 4.13,26 5.154,27 5.377,28 4.182,29 4.2,30 6.294,31 4.16,32 5.157,33 5.355,34 4.295,35 4.232,36 6.494,37 4.204,38 5.219,39 5.418,40 4.257,41 4.259,42 6.557,43 4.207,44 5.233,45 5.471,46 4.041,47 4.203,48 6.336,49 4.109,50 5.131,51 5.385,52 3.968,53 4.057,54 6.235,55 3.986,56 0.129,57 0.853,58 13.09,59 5.71,60 21.946,61 7.384,62 0.481,63 1.381,64 24.585,65 9.425,66 89.024,67 13.149,68 0.835,69 1.712,70 37.969,71 11.658,72 108.782,73 17.197,74 0.958,75 1.722,76 41.537,77 11.496,78 146.053,79 16.518,80 1.203,81 1.721,82 41.1,83 12.009,84 190.252,85 16.871,86 1.326,87 1.753,88 44.157,89 13.327,90 210.92,91 18.336,92 1.045,93 1.712,94 46.033,95 13.658,96 174.561,97 19.274,98 0.941,99 1.525,100 42.267,101 11.393,102 142.15,103 16.689,104 49,105 47,106 0.257,107 0.595,108 0.744,109 0.836,110 0.854,111 0.86,112 3.502,113 0.96,114 -2.96,115 -2.96,116 -2.86,117 37.7,118 1,119 7,124 2,125 1,126 5,127 1,130 1,132 1,134 3,135 1,140 11,142 1,143 3,144 3,145 4,146 2,147 10,149 7,150 3,151 3,152 7,154 3,155 1,157 8,158 3,159 2,161 4,162 3,163 3,165 3,166 7,167 1,168 3,169 5,170 2,171 8,172 4,173 3,174 6,175 3,176 2,177 6,180 8,181 3,183 8,185 2,187 6,190 4,191 4,193 9,194 2,198 6,199 2,200 1,201 3,202 1,203 7,204 2,205 2,206 1,207 5,208 3,209 2,211 1836,212 21.275,213 21.275,214 21.275,215 21.275,216 21.275,217 19.512,218 14.807,219 12.663,220 21.422,221 16.705,222 16.705,223 16.705,224 16.705,225 16.705,226 14.033,227 14.568,228 5.851,229 16.959,230 4.347,231 2.264,232 1.347,233 0.779,234 0.668,235 0.635,236 4.177,238 1,239 1,240 822,241 4.95,242 217.883,243 126.432,244 1.895,245 53.546,246 1,247 0.67,248 0.83,249 1,250 0.67,252 0.74,253 71.5,254 394,255 4.566,256 4.084,257 7.628,258 4.485,259 3.503,260 3.956,261 13.901,262 3.436,263 4.298,264 3.752,265 6.189,266 3.917,267 2.94,268 3.673,269 2.375,270 9.258,271 2.87,272 3.927,273 3.711,274 5.979,275 3.715,276 2.732,277 3.284,278 1.954,279 8.457,280 2.674,281 3.83,282 2.968,283 5.894,284 3.628,285 2.639,286 3.017,287 0.509,288 8.041,289 2.595,290 3.677,291 2.801,292 5.25,293 3.257,294 2.275,295 2.959,296 0.25,297 6.573,298 2.227,299 3.12,300 2.548,301 4.849,302 2.763,303 1.75,304 2.35,306 4.592,307 1.758,308 3.061,309 2.109,310 4.336,311 2.69,312 1.698,313 2.079,314 4.179,315 1.682,316 2.655,317 1.998,318 3.962,319 2.438,320 1.438,321 1.62,322 3.14,323 1.421,324 2.6,325 1.693,326 3.716,327 2.274,328 1.286,329 1.607,330 2.8,331 1.262,332 2.5,333 1.397,334 3.618,335 2.138,336 1.139,337 1.5,338 2.64,339 1.133,340 2.356,341 1.132,342 3.565,343 2,344 1,345 1.32,346 2.15,347 1,348 2.229,349 1.052,350 3.466,351 1.881,352 0.887,353 1.098,354 2.136,355 0.869,356 2.158,357 1,358 3.265,359 1.707,360 0.714,361 0.989,362 1.643,363 0.7,364 1.843,365 0.682,366 3.247,367 1.631,368 0.666,369 0.766,370 1.464,371 0.64,372 1.618,373 0.618,374 3.117,375 1.618,376 0.618,377 0.618,378 1.348,379 0.618,380 14.7,381 0.459,382 0.83,383 0.026,384 34.75,385 1.086,386 14.5,387 0.453,388 20.25,389 0.633,390 33.504,391 1.047,392 36.9,393 0.605,394 29.931,395 0.935,396 6.598,397 0.206,398 8.744,399 0.273,400 0.147,401 0.034,402 0.272,403 0.813,404 1.338,405 0.837,406 1.173,407 0.689,408 1.03,409 0.499,410 1.385,411 0.837,412 1.239,413 0.408,414 1.134,415 0.798,416 1.066,417 0.948,418 1.014,419 0.797,420 1.009,421 1.29,422 0.935,423 1.052,424 0.874,425 1.312,426 0.888,427 1.088,428 1.026,429 0.977,430 0.978,431 1.079,432 0.948,433 1.142,434 1.014,435 1.082,436 1.061,437 1.241,438 1.064,439 1.232,440 0.963,441 1.083,442 0.992,443 1.363,444 1.01,445 1.276,446 0.879,447 0.978,448 0.831,449 1.189,450 0.831,451 7.5,452 0.161,453 4,454 2.16,455 2.006,456 1.285,457 0.91,458 0.563,459 0.432,460 0.31,461 13218,462 38193,463 1.986,464 47.5,465 9,466 7,467 1,469 4,470 2,471 6,473 1.748,474 1.837,475 3.564,476 1.601,478 1,479 96.587,480 1.583,481 3.667,482 4.584,483 5.152,484 5.263,485 5.295,486 3.063,487 4.351,488 4.971,489 3.741,490 1855.57,491 8.715,492 27241.6,493 1,495 361.775,496 1.594,497 4.91,498 0.221,499 0.006,500 0.085,501 0.046,502 0.041,503 0.024,504 0.018,505 0.014,506 0.011,507 0.009,508 0.474,509 0.17,510 0.88,511 1.398,512 168.16,513 -0.094,514 -0.05,515 0.007,516 0.023,517 -0.059,518 0.037,519 0.202,520 -0.202,521 0.044,522 -0.127,523 0.192,524 -0.091,525 0.049,526 -0.009,527 0.011,528 -0.038,529 -0.006,530 -0.029,531 -0.181,532 0.083,533 -0.041,534 0.059,535 -0.184,536 0.05,537 0.081,538 -0.003,539 0.03,540 -0.011,541 0.095,542 0.001,543 0.069,544 -0.032,545 -0.069,546 -0.086,547 0.047,548 -0.109,549 -0.137,550 -0.053,551 -0.068,552 -0.037,553 -0.174,554 -0.041,555 -0.162,556 0.02,557 0.057,558 0.079,559 -0.121,560 0.117,561 2.88,562 6.18,563 0.5,564 32.297,565 1.012,566 1.134,567 1.727,568 2.984,569 0.633,570 3.555,571 3.871,572 4.111,573 4.317,574 4.454,575 4.477,576 4.5,577 4.533,578 4.489,579 4.431,580 7.239,581 0.61,582 443.55,583 3.555,584 5.094,585 5.932,586 6.808,587 7.674,588 8.554,589 9.43,590 10.312,591 11.193,592 12.077,593 4.9,595 1,596 1,597 6,598 1,599 1,600 3,601 11,604 61,605 14,606 1,607 34,608 63,609 23,610 9,611 1,612 5,613 3,614 3,616 1,619 4,620 1,621 9,622 12,623 11,624 1,625 3,627 3,628 3,629 1,630 29,631 9,632 4,633 9,635 3,636 6,637 1,638 2,639 1,640 1,642 1,644 3,646 1,648 32,651 2,652 7,653 2,655 2,656 1,658 9.8,659 2,660 3,662 1,663 17.417,664 10.683,665 7.208,666 3.908,667 1.947,668 1.273,669 0.892,670 8.186,671 9.071,672 3.773,673 4.259,674 4.688,675 5.122,676 5.467,677 5.635,678 5.929,679 6.198,680 6.402,681 6.515,682 1,683 47,684 12.05,685 5.326,686 8.091,687 22.266,688 18.377,689 2.591,690 82.917,691 1,692 294.278,693 103.174,694 52.807,696 170.309,698 103.174,699 464.586,700 52.807,701 8.825,702 35.752,703 77.131,704 189.131,705 15.45,706 11.771,707 282.506,709 294.278,710 155.981,711 170.309,713 223.651,714 240.935,716 70.365,717 68.831,718 16.786,719 294.278,720 223.116,721 103.174,723 294.278,724 35.228,725 67.946,726 36.022,727 187.094,728 294.278,729 223.116,730 103.174,731 0.576,732 0.337,733 0.177,734 0.096,735 20,736 10,737 0.175,738 11,739 4.167,740 282.876,741 16,742 152,744 24.117,745 10.862,746 6.047,747 223.116,748 10.782,749 4.346,750 5.441,751 1.608,752 121.388,753 620.568,754 42.5,756 36.674,757 -2.733,758 61.756,759 69.149,760 0.267,761 0.618,762 0.773,763 0.869,764 0.887,765 0.893,766 5.022,767 1.438,768 5.943,769 4.179,770 4.554,771 4.945,772 3.263,773 6.792,774 4.52,775 6.207,776 1.286,777 7.537,778 3.14,779 4.29,780 4.732,781 3.08,782 8.078,783 4.231,784 7.512,785 1.139,786 9.253,787 2.8,788 6.221,789 6.973,790 4.6,791 11.131,792 6.145,793 8.854,794 1,795 11.047,796 2.64,797 6.825,798 7.572,799 5.013,800 13.323,801 6.724,802 10.231,803 0.887,804 12.895,805 2.15,806 8.256,807 9.309,808 6.138,809 16.015,810 8.137,811 11.633,812 0.714,813 14.783,814 2.136,815 9.22,816 10.26,817 6.791,818 18.508,819 9.078,820 13.053,821 0.666,822 16.702,823 1.643,824 10.492,825 11.799,826 7.765,827 21.138,828 10.331,829 3.503,830 0.618,831 18.643,832 1.464,833 11.607,834 12.924,835 8.527,836 23.726,837 11.425,838 2.94,839 13.901,840 20.603,841 1.348,842 12.836,843 14.373,844 9.437,845 26.351,846 12.636,847 2.732,848 9.258,849 22.577,850 3.956,851 14.017,852 15.593,853 10.251,854 28.968,855 13.797,856 2.639,857 8.457,858 24.563,859 3.673,860 15.242,861 16.997,862 11.133,863 31.596,864 15.002,865 2.275,866 8.041,867 26.557,868 3.284,869 16.453,870 18.273,871 11.972,872 34.223,873 16.194,874 1.75,875 6.573,876 28.56,877 3.017,878 17.683,879 19.654,880 12.843,881 36.853,882 17.405,883 1.698,884 4.592,885 30.568,886 2.959,887 18.911,888 20.964,889 13.694,890 39.482,891 18.613,892 13066,893 22365,894 21.959,895 38.642,896 51.371,897 51.859,898 53.402,899 50.637,900 50.571,901 61.674,902 14.929,903 144.645,904 49.772,905 5.545,906 6.084,907 7.43,908 5.529,909 5.503,910 6.956,911 3.991,912 21.313,913 5.436,914 18.248,915 1.511,916 1.525,917 1.571,918 1.489,919 1.487,920 1.814,921 0.439,922 4.254,923 1.464,924 4.016,925 4.047,926 3.966,927 3.901,928 7.477,929 3.908,930 3.937,931 3.976,932 3.857,933 3.815,934 7.471,935 3.816,936 3.765,937 3.797,938 3.69,939 3.6,940 7.427,941 3.621,942 3.701,943 3.753,944 3.58,945 3.555,946 6.352,947 3.547,948 3.564,949 3.591,950 3.495,951 3.335,952 6.35,953 3.37,954 3.379,955 3.433,956 3.218,957 3.145,958 5.154,959 3.154,960 3.219,961 3.231,962 3.147,963 2.951,964 4.709,965 2.988,966 2.976,967 3.007,968 2.854,969 2.756,970 4.369,971 2.779,972 0.134,973 0.12,974 0.224,975 0.132,976 0.103,977 4.566,978 0.116,979 4.084,980 0.07,981 7.628,982 0.409,983 4.485,984 0.101,985 3.503,986 3.956,987 13.901,988 3.436,989 1.906,990 1.88,991 2.021,992 1.989,993 1.296,994 1.997,995 1.786,996 1.741,997 1.98,998 1.98,999 1.211,1000 1.977,1001 1.675,1002 1.631,1003 1.863,1004 1.885,1005 1.178,1006 1.879,1007 1.577,1008 1.516,1009 1.86,1010 1.751,1011 1.101,1012 1.793,1013 1.562,1014 1.507,1015 1.769,1016 1.75,1017 1.077,1018 1.761,1019 1.295,1020 1.268,1021 1.547,1022 1.56,1023 0.726,1024 1.544,1025 1.279,1026 1.233,1027 1.43,1028 1.506,1029 0.475,1030 1.468,1031 1.126,1032 1.112,1033 1.27,1034 1.435,1035 0.299,1036 1.391,1037 4.234,1038 5.549,1039 3.045,1040 7.047,1041 5.283,1042 8.629,1043 7.286,1044 10.26,1045 1.875,1048 19.203,1049 3.333,1050 5.609,1052 -2.12,1053 -1.099,1054 37.201,1055 96.587,1056 223.68,1057 279.636,1058 314.265,1059 321.02,1060 323.02,1061 107.518,1062 7.124,1063 141.76,1064 141.76,1065 16,1066 12.611,1067 3.907,1068 3.248,1069 61.03,1070 138,1071 146,1072 0.213,1073 230.155,1074 412.2,1075 553.339,1076 10915,1078 23.14,1079 0.723,1080 0.564,1081 23.14,1082 18.043,1083 15.342,1084 0.451,1085 0.32,1086 10.732,1087 14.69,1088 10.544,1089 8.734,1090 15.342,1091 10.885,1092 13.78,1093 0.293,1094 0.174,1095 13.78,1096 8.174,1097 11.049,1098 0.184,1099 0.097,1100 11.049,1101 5.821,1102 8.676,1103 0.117,1104 0.056,1105 8.676,1106 4.112,1107 6.664,1108 0.078,1109 0.029,1110 6.664,1111 2.479,1112 0.335,1113 97.045,1114 0.213,1115 29.895,1116 0.583,1117 162,1118 535.552,1119 183.219,1120 503.001,1121 658.13,1122 464,1123 188,1124 462.094,1125 208.145,1126 459.175,1127 669.17,1128 432,1129 7.602} {0 CHEMBL1778530,1 1.583,2 12.313,3 2.773,4 7.689,5 113.994,6 7.271,7 0.324,8 4.197,9 4.31,10 3.71,11 3.67,12 5.342,13 3.661,14 4.753,15 4.918,16 4.09,17 4.075,18 5.954,19 4.032,20 5.094,21 5.318,22 4.144,23 4.198,24 6.182,25 4.129,26 5.156,27 5.376,28 4.182,29 4.199,30 6.296,31 4.16,32 5.156,33 5.356,34 4.293,35 4.234,36 6.493,37 4.205,38 5.218,39 5.419,40 4.255,41 4.262,42 6.555,43 4.208,44 5.233,45 5.472,46 4.041,47 4.204,48 6.335,49 4.109,50 5.131,51 5.385,52 3.968,53 4.057,54 6.235,55 3.986,56 0.129,57 0.853,58 13.09,59 5.71,60 21.947,61 7.384,62 0.471,63 1.376,64 24.564,65 9.445,66 88.689,67 13.147,68 0.849,69 1.695,70 38.12,71 11.763,72 109.281,73 17.165,74 0.982,75 1.71,76 41.71,77 11.582,78 146.887,79 16.488,80 1.201,81 1.732,82 41.034,83 11.946,84 190.169,85 16.887,86 1.312,87 1.77,88 44.006,89 13.221,90 210.42,91 18.368,92 1.034,93 1.718,94 45.946,95 13.615,96 174.144,97 19.289,98 0.941,99 1.525,100 42.267,101 11.393,102 142.15,103 16.689,104 49,105 47,106 0.257,107 0.595,108 0.744,109 0.836,110 0.854,111 0.86,112 3.502,113 0.961,114 -2.96,115 -2.96,116 -2.86,117 37.7,118 1,119 7,124 2,125 1,126 5,127 1,129 1,133 1,134 3,135 1,140 11,142 1,143 3,144 3,145 4,146 2,147 10,149 7,150 3,151 3,152 7,154 3,155 1,157 8,158 3,159 2,161 4,162 3,163 3,165 3,166 7,167 1,168 3,169 5,170 2,171 8,172 4,173 3,174 6,175 3,176 2,177 6,180 8,181 3,183 8,185 2,187 6,190 4,191 4,193 9,194 2,198 6,199 2,200 1,201 3,202 1,203 7,204 2,205 2,206 1,207 5,208 3,209 2,211 1836,212 21.275,213 21.275,214 21.275,215 21.275,216 21.275,217 19.512,218 14.807,219 12.663,220 21.424,221 16.705,222 16.705,223 16.705,224 16.705,225 16.705,226 14.033,227 14.568,228 5.851,229 16.949,230 4.347,231 2.264,232 1.347,233 0.779,234 0.668,235 0.635,236 4.177,238 1,239 1,240 822,241 4.95,242 217.883,243 126.432,244 1.895,245 53.671,246 1,247 0.67,248 0.83,249 1,250 0.67,252 0.74,253 71.5,254 394,255 4.566,256 4.084,257 7.628,258 4.485,259 3.503,260 3.956,261 13.901,262 3.436,263 4.298,264 3.752,265 6.189,266 3.928,267 2.94,268 3.673,269 2.375,270 9.258,271 2.905,272 3.927,273 3.711,274 5.979,275 3.716,276 2.732,277 3.284,278 1.954,279 8.457,280 2.676,281 3.83,282 2.968,283 5.894,284 3.628,285 2.639,286 3.017,287 0.509,288 8.041,289 2.595,290 3.677,291 2.801,292 5.25,293 3.252,294 2.275,295 2.959,296 0.25,297 6.573,298 2.217,299 3.12,300 2.548,301 4.849,302 2.763,303 1.75,304 2.35,306 4.592,307 1.758,308 3.061,309 2.109,310 4.336,311 2.693,312 1.698,313 2.079,314 4.179,315 1.687,316 2.655,317 1.998,318 3.962,319 2.438,320 1.438,321 1.62,322 3.14,323 1.421,324 2.6,325 1.693,326 3.716,327 2.272,328 1.286,329 1.607,330 2.8,331 1.26,332 2.5,333 1.397,334 3.618,335 2.133,336 1.139,337 1.5,338 2.64,339 1.127,340 2.356,341 1.132,342 3.565,343 2,344 1,345 1.32,346 2.15,347 1,348 2.229,349 1.052,350 3.466,351 1.881,352 0.887,353 1.098,354 2.136,355 0.869,356 2.158,357 1,358 3.265,359 1.705,360 0.714,361 0.989,362 1.643,363 0.699,364 1.843,365 0.682,366 3.247,367 1.618,368 0.666,369 0.766,370 1.464,371 0.632,372 1.618,373 0.618,374 3.117,375 1.617,376 0.618,377 0.618,378 1.348,379 0.618,380 14.7,381 0.459,382 0.83,383 0.026,384 34.75,385 1.086,386 14.5,387 0.453,388 20.25,389 0.633,390 33.527,391 1.048,392 36.9,393 0.605,394 29.909,395 0.935,396 6.602,397 0.206,398 8.74,399 0.273,400 0.147,401 0.034,402 0.272,403 0.813,404 1.338,405 0.837,406 1.173,407 0.69,408 1.03,409 0.493,410 1.372,411 0.831,412 1.25,413 0.406,414 1.137,415 0.84,416 1.053,417 0.954,418 1.018,419 0.801,420 1.009,421 1.335,422 0.931,423 1.061,424 0.87,425 1.318,426 0.886,427 1.07,428 1.037,429 0.976,430 0.972,431 1.077,432 0.947,433 1.103,434 1.026,435 1.077,436 1.057,437 1.237,438 1.064,439 1.211,440 0.964,441 1.079,442 0.993,443 1.36,444 1.011,445 1.276,446 0.879,447 0.978,448 0.831,449 1.189,450 0.831,451 7.5,452 0.161,453 4,454 2.16,455 2.006,456 1.285,457 0.91,458 0.563,459 0.432,460 0.31,461 13218,462 38173,463 1.986,464 47.5,465 9,466 7,468 1,469 4,470 2,471 6,473 1.748,474 1.837,475 3.564,476 1.601,478 1,479 96.587,480 1.583,481 3.667,482 4.584,483 5.152,484 5.263,485 5.295,486 3.063,487 4.351,488 4.971,489 3.741,490 1855.57,491 8.715,492 27241.6,493 1,495 361.775,496 1.594,497 4.91,498 0.221,499 0.006,500 0.085,501 0.046,502 0.041,503 0.024,504 0.018,505 0.014,506 0.011,507 0.009,508 0.474,509 0.17,510 0.88,511 1.398,512 168.16,513 -0.094,514 -0.05,515 0.007,516 0.023,517 -0.06,518 0.037,519 0.209,520 -0.188,521 0.05,522 -0.138,523 0.194,524 -0.093,525 0.042,526 -0.006,527 0.01,528 -0.04,529 -0.006,530 -0.029,531 -0.191,532 0.077,533 -0.045,534 0.065,535 -0.186,536 0.051,537 0.082,538 -0.009,539 0.028,540 -0.006,541 0.095,542 0.002,543 0.075,544 -0.035,545 -0.068,546 -0.085,547 0.048,548 -0.109,549 -0.132,550 -0.05,551 -0.066,552 -0.04,553 -0.173,554 -0.042,555 -0.162,556 0.02,557 0.057,558 0.079,559 -0.121,560 0.117,561 2.88,562 6.18,563 0.5,564 32.297,565 1.012,566 1.134,567 1.727,568 2.984,569 0.633,570 3.555,571 3.871,572 4.111,573 4.317,574 4.454,575 4.477,576 4.5,577 4.533,578 4.489,579 4.431,580 7.239,581 0.61,582 443.55,583 3.555,584 5.094,585 5.932,586 6.808,587 7.674,588 8.554,589 9.43,590 10.312,591 11.193,592 12.077,593 4.9,595 1,596 1,597 6,598 1,599 1,600 3,601 11,604 61,605 14,606 1,607 34,608 63,609 23,610 9,611 1,612 5,613 3,614 3,616 1,619 4,620 1,621 9,622 12,623 11,624 1,625 3,627 3,628 3,629 1,630 29,631 9,632 4,633 9,635 3,636 6,637 1,638 2,639 1,640 1,642 1,644 3,646 1,648 32,651 2,652 7,653 2,655 2,656 1,658 9.8,659 2,660 3,662 1,663 17.417,664 10.683,665 7.208,666 3.911,667 1.947,668 1.273,669 0.892,670 8.186,671 9.071,672 3.773,673 4.259,674 4.688,675 5.122,676 5.467,677 5.635,678 5.929,679 6.198,680 6.402,681 6.515,682 1,683 47,684 12.052,685 5.328,686 8.091,687 22.266,688 18.374,689 2.591,690 82.917,691 1,692 294.278,693 103.174,694 52.807,696 170.309,698 103.174,699 464.586,700 52.807,701 8.825,702 35.752,703 65.392,704 200.902,705 21.74,706 5.449,707 282.506,709 294.278,710 155.981,711 170.309,713 223.651,714 240.935,716 76.656,717 62.54,718 16.786,719 294.278,720 223.116,721 103.174,723 294.278,724 37.921,725 65.254,726 36.022,727 187.094,728 294.278,729 223.116,730 103.174,731 0.576,732 0.337,733 0.177,734 0.096,735 20,736 10,737 0.175,738 11,739 4.167,740 282.876,741 16,742 152,744 24.117,745 10.862,746 6.047,747 223.116,748 10.813,749 4.158,750 5.691,751 1.514,752 121.388,753 620.568,754 42.5,756 36.674,757 -2.733,758 61.756,759 69.149,760 0.267,761 0.618,762 0.773,763 0.869,764 0.887,765 0.893,766 5.022,767 1.438,768 5.943,769 4.179,770 4.554,771 4.945,772 3.263,773 6.792,774 4.522,775 6.207,776 1.286,777 7.537,778 3.14,779 4.29,780 4.732,781 3.08,782 8.078,783 4.24,784 7.512,785 1.139,786 9.253,787 2.8,788 6.221,789 6.973,790 4.6,791 11.131,792 6.152,793 8.854,794 1,795 11.047,796 2.64,797 6.825,798 7.572,799 5.013,800 13.323,801 6.737,802 10.231,803 0.887,804 12.895,805 2.15,806 8.256,807 9.309,808 6.138,809 16.015,810 8.149,811 11.633,812 0.714,813 14.783,814 2.136,815 9.22,816 10.26,817 6.791,818 18.508,819 9.093,820 13.053,821 0.666,822 16.702,823 1.643,824 10.492,825 11.799,826 7.765,827 21.138,828 10.346,829 3.503,830 0.618,831 18.643,832 1.464,833 11.607,834 12.924,835 8.527,836 23.726,837 11.441,838 2.94,839 13.901,840 20.603,841 1.348,842 12.836,843 14.373,844 9.437,845 26.351,846 12.651,847 2.732,848 9.258,849 22.577,850 3.956,851 14.017,852 15.593,853 10.251,854 28.968,855 13.812,856 2.639,857 8.457,858 24.563,859 3.673,860 15.242,861 16.997,862 11.133,863 31.596,864 15.017,865 2.275,866 8.041,867 26.557,868 3.284,869 16.453,870 18.273,871 11.972,872 34.223,873 16.208,874 1.75,875 6.573,876 28.56,877 3.017,878 17.683,879 19.654,880 12.843,881 36.853,882 17.418,883 1.698,884 4.592,885 30.568,886 2.959,887 18.911,888 20.964,889 13.694,890 39.482,891 18.626,892 13066,893 22360,894 21.959,895 38.642,896 51.371,897 51.859,898 53.402,899 50.615,900 50.571,901 61.674,902 14.929,903 144.645,904 49.798,905 5.545,906 6.084,907 7.43,908 5.528,909 5.503,910 6.956,911 3.991,912 21.313,913 5.436,914 18.248,915 1.511,916 1.525,917 1.571,918 1.489,919 1.487,920 1.814,921 0.439,922 4.254,923 1.465,924 4.018,925 4.047,926 3.968,927 3.9,928 7.477,929 3.907,930 3.938,931 3.975,932 3.857,933 3.815,934 7.471,935 3.816,936 3.763,937 3.798,938 3.688,939 3.602,940 7.427,941 3.622,942 3.7,943 3.753,944 3.58,945 3.555,946 6.352,947 3.547,948 3.562,949 3.591,950 3.494,951 3.336,952 6.35,953 3.37,954 3.379,955 3.433,956 3.218,957 3.145,958 5.15,959 3.154,960 3.219,961 3.231,962 3.147,963 2.951,964 4.695,965 2.988,966 2.976,967 3.007,968 2.853,969 2.758,970 4.369,971 2.78,972 0.134,973 0.12,974 0.224,975 0.132,976 0.103,977 4.566,978 0.116,979 4.084,980 0.07,981 7.628,982 0.409,983 4.485,984 0.101,985 3.503,986 3.956,987 13.901,988 3.436,989 1.904,990 1.881,991 2.02,992 1.992,993 1.296,994 1.998,995 1.786,996 1.741,997 1.98,998 1.98,999 1.211,1000 1.977,1001 1.676,1002 1.631,1003 1.864,1004 1.884,1005 1.178,1006 1.879,1007 1.577,1008 1.515,1009 1.86,1010 1.751,1011 1.095,1012 1.793,1013 1.563,1014 1.507,1015 1.769,1016 1.749,1017 1.081,1018 1.761,1019 1.298,1020 1.267,1021 1.547,1022 1.559,1023 0.726,1024 1.544,1025 1.279,1026 1.233,1027 1.436,1028 1.474,1029 0.474,1030 1.463,1031 1.128,1032 1.111,1033 1.268,1034 1.465,1035 0.302,1036 1.395,1037 4.234,1038 5.549,1039 3.045,1040 7.047,1041 5.283,1042 8.629,1043 7.286,1044 10.26,1045 1.875,1048 19.203,1049 3.333,1050 5.609,1052 -2.12,1053 -1.099,1054 37.201,1055 96.587,1056 223.68,1057 279.636,1058 314.265,1059 321.02,1060 323.02,1061 107.679,1062 7.124,1063 141.76,1064 141.76,1065 16,1066 12.611,1067 3.907,1068 3.248,1069 61.03,1070 138,1071 146,1072 0.213,1073 230.155,1074 412.2,1075 553.339,1076 10915,1078 23.14,1079 0.723,1080 0.564,1081 23.14,1082 18.043,1083 15.342,1084 0.451,1085 0.32,1086 10.736,1087 14.694,1088 10.549,1089 8.737,1090 15.342,1091 10.888,1092 13.78,1093 0.293,1094 0.174,1095 13.78,1096 8.166,1097 11.049,1098 0.184,1099 0.097,1100 11.049,1101 5.812,1102 8.676,1103 0.117,1104 0.055,1105 8.676,1106 4.107,1107 6.664,1108 0.078,1109 0.029,1110 6.664,1111 2.476,1112 0.335,1113 97,1114 0.213,1115 29.895,1116 0.583,1117 162,1118 535.552,1119 183.55,1120 502.921,1121 658.59,1122 464,1123 188,1124 463.651,1125 208.476,1126 459.788,1127 670.85,1128 433,1129 7.086} {0 CHEMBL1778531,1 1.61,2 12.939,3 1.513,4 2.289,5 115.781,6 7.412,7 0.314,8 4.222,9 4.329,10 3.75,11 3.668,12 5.386,13 3.672,14 4.777,15 4.935,16 4.112,17 4.066,18 5.989,19 4.039,20 5.082,21 5.296,22 4.165,23 4.201,24 6.191,25 4.141,26 5.177,27 5.396,28 4.21,29 4.21,30 6.322,31 4.175,32 5.18,33 5.375,34 4.338,35 4.239,36 6.535,37 4.217,38 5.228,39 5.425,40 4.317,41 4.26,42 6.569,43 4.225,44 5.278,45 5.503,46 4.123,47 4.197,48 6.444,49 4.134,50 5.119,51 5.349,52 4.056,53 4.085,54 6.255,55 4.038,56 0.171,57 0.859,58 13.107,59 5.726,60 24.129,61 7.275,62 0.64,63 1.37,64 25.282,65 9.249,66 97.363,67 12.656,68 0.928,69 1.691,70 37.109,71 11.382,72 111.94,73 16.567,74 1.134,75 1.726,76 42.438,77 11.627,78 154.452,79 16.665,80 1.484,81 1.721,82 42.12,83 12.176,84 212.234,85 17.13,86 1.355,87 1.763,88 43.939,89 13.098,90 196.43,91 18.188,92 1.533,93 1.687,94 49.201,95 13.399,96 220.154,97 18.581,98 1.038,99 1.518,100 41.093,101 11.262,102 135.383,103 16.087,104 50,105 48,106 0.261,107 0.613,108 0.769,109 0.839,110 0.857,111 0.862,112 3.532,113 0.932,114 -2.23,115 -2.27,116 -2.24,117 37.1,119 6,122 1,123 1,124 2,125 1,126 5,127 1,130 1,132 1,134 3,135 1,140 9,142 1,143 4,144 3,145 4,146 2,147 9,149 7,150 3,151 3,152 6,154 3,157 7,158 4,159 3,161 2,162 3,163 2,165 4,166 6,167 1,168 4,169 4,170 2,171 6,172 4,173 3,174 7,175 3,176 2,177 5,180 4,181 3,182 1,183 9,185 3,187 5,190 2,191 4,193 9,194 2,198 6,199 2,201 2,202 1,203 7,204 3,205 2,206 1,207 4,208 2,209 1,211 2026,212 21.982,213 21.982,214 21.982,215 21.982,216 21.982,217 20.219,218 18.042,219 13.187,220 22.323,221 17.205,222 17.205,223 17.205,224 17.205,225 17.205,226 14.533,227 17.931,228 6.147,229 17.663,230 4.344,231 2.164,232 1.199,233 0.766,234 0.657,235 0.625,236 4.207,238 1,239 1,240 890,241 5.05,242 226.518,243 131.494,244 1.884,245 56.715,246 1,247 0.5,248 0.83,249 1,250 0.67,252 0.71,253 74.5,254 427,255 4.566,256 4.084,257 7.628,258 4.485,259 3.503,260 3.956,261 13.901,262 3.435,263 4.298,264 3.752,265 6.189,266 3.917,267 2.94,268 3.673,269 2.375,270 9.258,271 2.87,272 3.927,273 3.711,274 5.979,275 3.715,276 2.732,277 3.284,278 1.954,279 8.457,280 2.674,281 3.831,282 2.968,283 5.895,284 3.629,285 2.641,286 3.018,287 0.86,288 8.047,289 2.594,290 3.677,291 2.801,292 5.25,293 3.257,294 2.275,295 2.959,296 0.509,297 6.573,298 2.227,299 3.12,300 2.548,301 4.849,302 2.763,303 1.75,304 2.35,305 0.25,306 4.593,307 1.758,308 3.061,309 2.276,310 4.336,311 2.69,312 1.698,313 2.079,314 4.179,315 1.682,316 2.72,317 2.001,318 3.971,319 2.505,320 1.574,321 1.691,322 3.265,323 1.45,324 2.6,325 1.928,326 3.728,327 2.294,328 1.322,329 1.62,330 2.888,331 1.274,332 2.5,333 1.693,334 3.638,335 2.147,336 1.153,337 1.5,338 2.692,339 1.139,340 2.389,341 1.371,342 3.618,343 2,344 1,345 1.368,346 2.258,347 1,348 2.283,349 1.132,350 3.473,351 1.944,352 1,353 1.164,354 2.136,355 0.926,356 2.163,357 1,358 3.267,359 1.818,360 0.823,361 1.015,362 1.885,363 0.804,364 2.078,365 0.683,366 3.247,367 1.632,368 0.669,369 0.954,370 1.636,371 0.642,372 1.618,373 0.639,374 3.199,375 1.618,376 0.618,377 0.618,378 1.464,379 0.618,380 15.033,381 0.456,382 0.83,383 0.025,384 35.75,385 1.083,386 14.5,387 0.439,388 21.25,389 0.644,390 33.852,391 1.026,392 38.367,393 0.619,394 32.155,395 0.974,396 7.175,397 0.217,398 8.667,399 0.263,400 0.144,401 0.033,402 0.266,403 0.839,404 1.39,405 0.817,406 1.221,407 0.696,408 1.04,409 0.697,410 1.316,411 0.878,412 1.158,413 0.464,414 1.08,415 0.825,416 1.109,417 0.99,418 1.056,419 0.833,420 1.058,421 1.202,422 0.928,423 1.045,424 0.887,425 1.3,426 0.905,427 0.954,428 1.021,429 0.921,430 0.959,431 1.033,432 0.931,433 1.018,434 1.077,435 1.018,436 1.121,437 1.092,438 1.077,439 1.377,440 0.849,441 1.126,442 0.878,443 1.555,444 0.939,445 1.271,446 0.975,447 1.005,448 0.91,449 1.145,450 0.891,451 7.5,452 0.194,453 4,454 2.16,455 2.006,456 1.396,457 0.91,458 0.594,459 0.463,460 0.31,461 14419,462 44162,463 1.987,464 46.8,465 4,466 12,467 1,469 4,470 2,471 4,472 2,473 1.756,474 1.842,475 3.621,476 1.603,478 1,479 99.83,480 1.61,481 3.79,482 4.755,483 5.188,484 5.297,485 5.329,486 3.084,487 4.476,488 5.014,489 3.79,490 2001.36,491 8.804,492 30126.1,495 369.16,496 1.573,497 4.957,498 0.214,499 0.006,500 0.083,501 0.045,502 0.04,503 0.025,504 0.017,505 0.014,506 0.011,507 0.008,508 0.464,509 0.17,510 0.88,511 1.526,512 175.356,513 -0.099,514 -0.092,515 0.012,516 -0.016,517 -0.06,518 0.022,519 0.106,520 -0.141,521 0.012,522 -0.055,523 0.161,524 -0.053,525 0.01,526 -0.027,527 -0.045,528 -0.066,529 -0.026,530 -0.073,531 -0.159,532 0.091,533 -0.045,534 0.051,535 -0.185,536 0.04,537 0.156,538 -0.01,539 0.078,540 0.016,541 0.133,542 0.028,543 0.077,544 -0.073,545 -0.024,546 -0.142,547 0.092,548 -0.114,549 -0.16,550 0.038,551 -0.08,552 0.05,553 -0.222,554 0.008,555 -0.182,556 -0.047,557 0.016,558 0.03,559 -0.119,560 0.069,561 2.898,562 6.219,563 0.485,564 34.49,565 1.017,566 1.135,567 0.997,568 0.993,569 0.631,570 3.584,571 3.892,572 4.127,573 4.331,574 4.477,575 4.511,576 4.533,577 4.575,578 4.522,579 4.477,580 7.449,581 0.612,582 459.55,583 3.584,584 5.118,585 5.953,586 6.825,587 7.689,588 8.568,589 9.442,590 10.324,591 11.204,592 12.088,593 4.8,595 1,596 1,597 6,598 1,599 1,600 3,601 11,604 62,605 14,606 1,607 35,608 64,609 23,610 9,611 1,612 5,613 3,614 3,619 4,620 1,621 8,622 12,623 11,624 1,625 3,627 3,628 3,629 1,630 29,631 10,632 4,633 10,635 3,636 7,637 1,638 2,639 1,640 1,642 1,643 1,644 3,646 1,648 33,651 2,652 7,653 2,654 1,655 2,656 1,658 11.3,659 2,660 3,661 1,662 1,663 17.917,664 10.85,665 7.458,666 3.658,667 1.934,668 1.27,669 0.886,670 8.751,671 9.103,672 3.795,673 4.273,674 4.697,675 5.128,676 5.476,677 5.65,678 5.937,679 6.209,680 6.407,681 6.521,682 0.889,683 48,684 12.416,685 5.464,686 8.119,687 22.801,688 18.614,689 2.619,690 86.417,692 294.278,693 107.29,694 52.807,696 181.309,698 107.29,699 475.586,700 52.807,701 10.883,702 37.81,703 77.131,704 200.131,705 15.45,706 11.771,707 282.506,709 294.278,710 160.097,711 181.309,713 223.651,714 240.935,715 11,716 63.598,717 79.714,718 16.786,719 294.278,720 234.116,721 107.29,723 294.278,724 37.286,725 70.004,726 36.022,727 198.094,728 294.278,729 234.116,730 107.29,731 0.574,732 0.332,733 0.172,734 0.096,735 20,736 10,737 0.188,738 12,739 4.26,740 293.761,741 16,742 158.465,744 25.059,745 11.524,746 6.485,747 234.116,748 10.742,749 4.342,750 5.439,751 1.573,752 121.388,753 635.683,754 43.5,756 36.795,757 -2.856,758 63.083,759 70.358,760 0.27,761 0.636,762 0.799,763 0.871,764 0.89,765 0.895,766 5.042,767 1.574,768 5.958,769 4.179,770 4.575,771 4.959,772 3.318,773 6.801,774 4.53,775 6.221,776 1.322,777 7.548,778 3.265,779 4.29,780 4.732,781 3.08,782 8.078,783 4.231,784 7.522,785 1.153,786 9.259,787 2.888,788 6.232,789 6.978,790 4.611,791 11.132,792 6.148,793 8.861,794 1,795 11.051,796 2.692,797 6.825,798 7.572,799 5.013,800 13.323,801 6.724,802 10.236,803 1,804 12.897,805 2.258,806 8.261,807 9.311,808 6.14,809 16.015,810 8.137,811 11.636,812 0.823,813 14.785,814 2.136,815 9.22,816 10.26,817 6.791,818 18.509,819 9.078,820 13.055,821 0.669,822 16.703,823 1.885,824 10.494,825 11.8,826 7.765,827 21.138,828 10.331,829 3.503,830 0.618,831 18.644,832 1.636,833 11.607,834 12.924,835 8.527,836 23.726,837 11.425,838 2.94,839 13.901,840 20.603,841 1.464,842 12.837,843 14.373,844 9.437,845 26.351,846 12.635,847 2.732,848 9.258,849 22.577,850 3.956,851 14.018,852 15.593,853 10.251,854 28.968,855 13.796,856 2.641,857 8.457,858 24.563,859 3.673,860 15.242,861 16.997,862 11.133,863 31.596,864 15.001,865 2.275,866 8.047,867 26.558,868 3.284,869 16.454,870 18.273,871 11.972,872 34.223,873 16.194,874 1.75,875 6.573,876 28.56,877 3.018,878 17.683,879 19.654,880 12.843,881 36.853,882 17.404,883 1.698,884 4.593,885 30.568,886 2.959,887 18.911,888 20.964,889 13.694,890 39.482,891 18.613,892 14265,893 25091,894 22.652,895 39.097,896 52.377,897 53.007,898 54.629,899 51.738,900 51.752,901 62.854,902 16.649,903 147.066,904 50.51,905 5.546,906 6.084,907 7.488,908 5.53,909 5.503,910 6.956,911 3.991,912 21.313,913 5.435,914 18.659,915 1.496,916 1.514,917 1.561,918 1.478,919 1.479,920 1.796,921 0.476,922 4.202,923 1.443,924 4.016,925 4.047,926 3.966,927 3.901,928 7.477,929 3.908,930 3.936,931 3.975,932 3.857,933 3.813,934 7.471,935 3.815,936 3.764,937 3.796,938 3.69,939 3.6,940 7.427,941 3.621,942 3.687,943 3.728,944 3.578,945 3.509,946 6.352,947 3.515,948 3.564,949 3.591,950 3.495,951 3.335,952 6.35,953 3.37,954 3.374,955 3.412,956 3.239,957 3.066,958 5.154,959 3.097,960 3.22,961 3.234,962 3.147,963 2.949,964 4.709,965 2.987,966 3.029,967 3.098,968 2.856,969 2.756,970 4.633,971 2.779,972 0.13,973 0.117,974 0.218,975 0.128,976 0.1,977 4.566,978 0.113,979 4.084,980 0.068,981 7.628,982 0.397,983 4.485,984 0.098,985 3.503,986 3.956,987 13.901,988 3.435,989 1.906,990 1.88,991 2.021,992 1.987,993 1.268,994 1.997,995 1.774,996 1.732,997 1.933,998 1.978,999 1.211,1000 1.965,1001 1.652,1002 1.614,1003 1.86,1004 1.877,1005 1.135,1006 1.861,1007 1.577,1008 1.507,1009 1.834,1010 1.751,1011 1.097,1012 1.793,1013 1.531,1014 1.49,1015 1.748,1016 1.737,1017 1.074,1018 1.737,1019 1.295,1020 1.268,1021 1.567,1022 1.57,1023 0.604,1024 1.553,1025 1.238,1026 1.191,1027 1.43,1028 1.507,1029 0.475,1030 1.468,1031 1.127,1032 1.112,1033 1.291,1034 1.435,1035 0.44,1036 1.392,1037 4.263,1038 5.572,1039 3.045,1040 7.064,1041 5.283,1042 8.642,1043 7.286,1044 10.269,1045 1.473,1048 19.258,1049 2.549,1050 5.546,1051 4.978,1052 -2.265,1053 -1.156,1054 37.916,1055 99.83,1056 234.966,1057 294.821,1058 321.65,1059 328.405,1060 330.405,1061 112.168,1062 7.169,1063 150.99,1064 150.99,1065 16,1066 12.622,1067 3.907,1068 3.248,1069 64.052,1070 146,1071 155,1072 0.21,1073 234.152,1074 420.99,1075 563.09,1076 11593,1078 23.847,1079 0.723,1080 0.559,1081 23.847,1082 18.451,1083 15.842,1084 0.453,1085 0.311,1086 10.674,1087 15.022,1088 10.492,1089 8.646,1090 15.842,1091 10.875,1092 14.134,1093 0.294,1094 0.17,1095 14.134,1096 8.167,1097 11.318,1098 0.186,1099 0.096,1100 11.318,1101 5.854,1102 8.771,1103 0.117,1104 0.054,1105 8.771,1106 4.059,1107 6.799,1108 0.078,1109 0.029,1110 6.799,1111 2.481,1112 0.331,1113 101.253,1114 0.21,1115 30.713,1116 0.575,1117 166,1118 583.288,1119 189.433,1120 540.776,1121 701.49,1122 500,1123 192,1124 480.821,1125 214.138,1126 479.351,1127 695.38,1128 448,1129 6.886} {0 CHEMBL1778532,1 1.61,2 12.939,3 1.376,4 1.893,5 116.03,6 7.412,7 0.314,8 4.222,9 4.329,10 3.75,11 3.668,12 5.385,13 3.672,14 4.778,15 4.936,16 4.114,17 4.065,18 5.991,19 4.038,20 5.084,21 5.295,22 4.168,23 4.197,24 6.194,25 4.14,26 5.179,27 5.395,28 4.211,29 4.209,30 6.323,31 4.174,32 5.179,33 5.375,34 4.336,35 4.241,36 6.534,37 4.218,38 5.227,39 5.425,40 4.315,41 4.264,42 6.567,43 4.226,44 5.277,45 5.504,46 4.123,47 4.198,48 6.444,49 4.134,50 5.119,51 5.349,52 4.056,53 4.085,54 6.255,55 4.038,56 0.171,57 0.859,58 13.107,59 5.726,60 24.157,61 7.275,62 0.631,63 1.365,64 25.257,65 9.269,66 97.001,67 12.655,68 0.944,69 1.675,70 37.261,71 11.488,72 112.411,73 16.536,74 1.16,75 1.715,76 42.615,77 11.712,78 155.314,79 16.635,80 1.481,81 1.732,82 42.057,83 12.113,84 212.165,85 17.147,86 1.339,87 1.78,88 43.788,89 12.992,90 195.93,91 18.219,92 1.52,93 1.693,94 49.113,95 13.356,96 219.723,97 18.596,98 1.038,99 1.518,100 41.093,101 11.262,102 135.383,103 16.087,104 50,105 48,106 0.261,107 0.613,108 0.769,109 0.839,110 0.857,111 0.862,112 3.532,113 0.932,114 -2.23,115 -2.27,116 -2.24,117 37.1,119 6,122 1,123 1,124 2,125 1,126 5,127 1,129 1,133 1,134 3,135 1,140 9,142 1,143 4,144 3,145 4,146 2,147 9,149 7,150 3,151 3,152 6,154 3,157 7,158 4,159 3,161 2,162 3,163 2,165 4,166 6,167 1,168 4,169 4,170 2,171 6,172 4,173 3,174 7,175 3,176 2,177 5,180 4,181 3,182 1,183 9,185 3,187 5,190 2,191 4,193 9,194 2,198 6,199 2,201 2,202 1,203 7,204 3,205 2,206 1,207 4,208 2,209 1,211 2026,212 21.982,213 21.982,214 21.982,215 21.982,216 21.982,217 20.219,218 18.042,219 13.187,220 22.325,221 17.205,222 17.205,223 17.205,224 17.205,225 17.205,226 14.533,227 17.931,228 6.147,229 17.653,230 4.344,231 2.164,232 1.199,233 0.766,234 0.657,235 0.625,236 4.207,238 1,239 1,240 890,241 5.05,242 226.518,243 131.494,244 1.884,245 56.84,246 1,247 0.5,248 0.83,249 1,250 0.67,252 0.71,253 74.5,254 427,255 4.566,256 4.084,257 7.628,258 4.485,259 3.503,260 3.956,261 13.901,262 3.435,263 4.298,264 3.752,265 6.189,266 3.928,267 2.94,268 3.673,269 2.375,270 9.258,271 2.905,272 3.927,273 3.711,274 5.979,275 3.716,276 2.732,277 3.284,278 1.954,279 8.457,280 2.675,281 3.831,282 2.968,283 5.895,284 3.629,285 2.641,286 3.018,287 0.86,288 8.047,289 2.594,290 3.677,291 2.801,292 5.25,293 3.252,294 2.275,295 2.959,296 0.509,297 6.573,298 2.217,299 3.12,300 2.548,301 4.849,302 2.763,303 1.75,304 2.35,305 0.25,306 4.593,307 1.758,308 3.061,309 2.276,310 4.336,311 2.693,312 1.698,313 2.079,314 4.179,315 1.687,316 2.72,317 2.001,318 3.971,319 2.505,320 1.574,321 1.691,322 3.265,323 1.45,324 2.6,325 1.928,326 3.728,327 2.293,328 1.322,329 1.62,330 2.888,331 1.273,332 2.5,333 1.693,334 3.638,335 2.141,336 1.153,337 1.5,338 2.692,339 1.132,340 2.389,341 1.371,342 3.618,343 2,344 1,345 1.368,346 2.258,347 1,348 2.283,349 1.132,350 3.473,351 1.944,352 1,353 1.164,354 2.136,355 0.927,356 2.163,357 1,358 3.267,359 1.817,360 0.823,361 1.015,362 1.885,363 0.803,364 2.078,365 0.683,366 3.247,367 1.618,368 0.669,369 0.954,370 1.636,371 0.633,372 1.618,373 0.639,374 3.199,375 1.618,376 0.618,377 0.618,378 1.464,379 0.618,380 15.033,381 0.456,382 0.83,383 0.025,384 35.75,385 1.083,386 14.5,387 0.439,388 21.25,389 0.644,390 33.875,391 1.027,392 38.367,393 0.619,394 32.133,395 0.974,396 7.179,397 0.218,398 8.664,399 0.263,400 0.144,401 0.033,402 0.266,403 0.839,404 1.39,405 0.817,406 1.221,407 0.698,408 1.04,409 0.692,410 1.303,411 0.873,412 1.169,413 0.462,414 1.083,415 0.865,416 1.095,417 0.996,418 1.06,419 0.838,420 1.057,421 1.242,422 0.924,423 1.053,424 0.883,425 1.306,426 0.903,427 0.938,428 1.032,429 0.92,430 0.953,431 1.031,432 0.93,433 0.983,434 1.089,435 1.013,436 1.117,437 1.088,438 1.077,439 1.358,440 0.85,441 1.122,442 0.88,443 1.552,444 0.94,445 1.271,446 0.975,447 1.005,448 0.91,449 1.145,450 0.891,451 7.5,452 0.194,453 4,454 2.16,455 2.006,456 1.396,457 0.91,458 0.594,459 0.463,460 0.31,461 14419,462 44142,463 1.987,464 46.8,465 4,466 12,468 1,469 4,470 2,471 4,472 2,473 1.756,474 1.842,475 3.621,476 1.603,478 1,479 99.83,480 1.61,481 3.79,482 4.755,483 5.188,484 5.297,485 5.329,486 3.084,487 4.476,488 5.014,489 3.79,490 2001.36,491 8.804,492 30126.1,495 369.16,496 1.573,497 4.957,498 0.214,499 0.006,500 0.083,501 0.045,502 0.04,503 0.025,504 0.017,505 0.014,506 0.011,507 0.008,508 0.464,509 0.17,510 0.88,511 1.526,512 175.356,513 -0.099,514 -0.092,515 0.012,516 -0.016,517 -0.061,518 0.022,519 0.112,520 -0.128,521 0.017,522 -0.066,523 0.163,524 -0.056,525 0.003,526 -0.024,527 -0.045,528 -0.067,529 -0.027,530 -0.073,531 -0.169,532 0.084,533 -0.049,534 0.057,535 -0.188,536 0.042,537 0.157,538 -0.016,539 0.076,540 0.02,541 0.133,542 0.028,543 0.083,544 -0.076,545 -0.024,546 -0.14,547 0.093,548 -0.114,549 -0.155,550 0.041,551 -0.078,552 0.047,553 -0.222,554 0.007,555 -0.182,556 -0.047,557 0.016,558 0.03,559 -0.119,560 0.069,561 2.898,562 6.219,563 0.485,564 34.49,565 1.017,566 1.135,567 0.997,568 0.993,569 0.631,570 3.584,571 3.892,572 4.127,573 4.331,574 4.477,575 4.511,576 4.533,577 4.575,578 4.522,579 4.477,580 7.449,581 0.612,582 459.55,583 3.584,584 5.118,585 5.953,586 6.825,587 7.689,588 8.568,589 9.442,590 10.324,591 11.204,592 12.088,593 4.8,595 1,596 1,597 6,598 1,599 1,600 3,601 11,604 62,605 14,606 1,607 35,608 64,609 23,610 9,611 1,612 5,613 3,614 3,619 4,620 1,621 8,622 12,623 11,624 1,625 3,627 3,628 3,629 1,630 29,631 10,632 4,633 10,635 3,636 7,637 1,638 2,639 1,640 1,642 1,643 1,644 3,646 1,648 33,651 2,652 7,653 2,654 1,655 2,656 1,658 11.3,659 2,660 3,661 1,662 1,663 17.917,664 10.85,665 7.458,666 3.661,667 1.934,668 1.27,669 0.886,670 8.751,671 9.103,672 3.795,673 4.273,674 4.697,675 5.128,676 5.476,677 5.65,678 5.937,679 6.209,680 6.407,681 6.521,682 0.889,683 48,684 12.418,685 5.466,686 8.119,687 22.801,688 18.611,689 2.619,690 86.417,692 294.278,693 107.29,694 52.807,696 181.309,698 107.29,699 475.586,700 52.807,701 10.883,702 37.81,703 65.392,704 211.902,705 21.74,706 5.449,707 282.506,709 294.278,710 160.097,711 181.309,713 223.651,714 240.935,715 11,716 69.888,717 73.423,718 16.786,719 294.278,720 234.116,721 107.29,723 294.278,724 39.978,725 67.312,726 36.022,727 198.094,728 294.278,729 234.116,730 107.29,731 0.574,732 0.332,733 0.172,734 0.096,735 20,736 10,737 0.188,738 12,739 4.26,740 293.761,741 16,742 158.465,744 25.059,745 11.524,746 6.485,747 234.116,748 10.774,749 4.154,750 5.69,751 1.48,752 121.388,753 635.683,754 43.5,756 36.795,757 -2.856,758 63.083,759 70.358,760 0.27,761 0.636,762 0.799,763 0.871,764 0.89,765 0.895,766 5.042,767 1.574,768 5.958,769 4.179,770 4.575,771 4.959,772 3.318,773 6.801,774 4.532,775 6.221,776 1.322,777 7.548,778 3.265,779 4.29,780 4.732,781 3.08,782 8.078,783 4.24,784 7.522,785 1.153,786 9.259,787 2.888,788 6.232,789 6.978,790 4.611,791 11.132,792 6.155,793 8.861,794 1,795 11.051,796 2.692,797 6.825,798 7.572,799 5.013,800 13.323,801 6.737,802 10.236,803 1,804 12.897,805 2.258,806 8.261,807 9.311,808 6.14,809 16.015,810 8.15,811 11.636,812 0.823,813 14.785,814 2.136,815 9.22,816 10.26,817 6.791,818 18.509,819 9.093,820 13.055,821 0.669,822 16.703,823 1.885,824 10.494,825 11.8,826 7.765,827 21.138,828 10.346,829 3.503,830 0.618,831 18.644,832 1.636,833 11.607,834 12.924,835 8.527,836 23.726,837 11.441,838 2.94,839 13.901,840 20.603,841 1.464,842 12.837,843 14.373,844 9.437,845 26.351,846 12.651,847 2.732,848 9.258,849 22.577,850 3.956,851 14.018,852 15.593,853 10.251,854 28.968,855 13.812,856 2.641,857 8.457,858 24.563,859 3.673,860 15.242,861 16.997,862 11.133,863 31.596,864 15.016,865 2.275,866 8.047,867 26.558,868 3.284,869 16.454,870 18.273,871 11.972,872 34.223,873 16.208,874 1.75,875 6.573,876 28.56,877 3.018,878 17.683,879 19.654,880 12.843,881 36.853,882 17.417,883 1.698,884 4.593,885 30.568,886 2.959,887 18.911,888 20.964,889 13.694,890 39.482,891 18.625,892 14265,893 25086,894 22.652,895 39.097,896 52.377,897 53.007,898 54.629,899 51.716,900 51.752,901 62.854,902 16.649,903 147.066,904 50.536,905 5.546,906 6.084,907 7.488,908 5.529,909 5.503,910 6.956,911 3.991,912 21.313,913 5.435,914 18.659,915 1.496,916 1.514,917 1.561,918 1.478,919 1.479,920 1.796,921 0.476,922 4.202,923 1.444,924 4.018,925 4.046,926 3.968,927 3.899,928 7.477,929 3.907,930 3.937,931 3.974,932 3.857,933 3.813,934 7.471,935 3.815,936 3.762,937 3.797,938 3.687,939 3.602,940 7.427,941 3.621,942 3.687,943 3.728,944 3.578,945 3.509,946 6.352,947 3.515,948 3.562,949 3.591,950 3.494,951 3.336,952 6.35,953 3.37,954 3.374,955 3.412,956 3.239,957 3.066,958 5.15,959 3.097,960 3.22,961 3.234,962 3.147,963 2.949,964 4.696,965 2.987,966 3.029,967 3.098,968 2.856,969 2.758,970 4.633,971 2.78,972 0.13,973 0.117,974 0.218,975 0.128,976 0.1,977 4.566,978 0.113,979 4.084,980 0.068,981 7.628,982 0.397,983 4.485,984 0.098,985 3.503,986 3.956,987 13.901,988 3.435,989 1.904,990 1.881,991 2.02,992 1.99,993 1.268,994 1.998,995 1.774,996 1.732,997 1.933,998 1.977,999 1.211,1000 1.965,1001 1.653,1002 1.614,1003 1.86,1004 1.876,1005 1.135,1006 1.861,1007 1.577,1008 1.507,1009 1.834,1010 1.751,1011 1.093,1012 1.793,1013 1.531,1014 1.49,1015 1.748,1016 1.736,1017 1.077,1018 1.737,1019 1.298,1020 1.267,1021 1.568,1022 1.569,1023 0.604,1024 1.553,1025 1.238,1026 1.191,1027 1.436,1028 1.474,1029 0.474,1030 1.463,1031 1.128,1032 1.111,1033 1.291,1034 1.465,1035 0.44,1036 1.395,1037 4.263,1038 5.572,1039 3.045,1040 7.064,1041 5.283,1042 8.642,1043 7.286,1044 10.269,1045 1.473,1048 19.258,1049 2.549,1050 5.546,1051 4.978,1052 -2.265,1053 -1.156,1054 37.916,1055 99.83,1056 234.966,1057 294.821,1058 321.65,1059 328.405,1060 330.405,1061 112.329,1062 7.169,1063 150.99,1064 150.99,1065 16,1066 12.622,1067 3.907,1068 3.248,1069 64.052,1070 146,1071 155,1072 0.21,1073 234.152,1074 420.99,1075 563.09,1076 11593,1078 23.847,1079 0.723,1080 0.559,1081 23.847,1082 18.451,1083 15.842,1084 0.453,1085 0.311,1086 10.678,1087 15.025,1088 10.497,1089 8.649,1090 15.842,1091 10.878,1092 14.134,1093 0.294,1094 0.17,1095 14.134,1096 8.159,1097 11.318,1098 0.186,1099 0.096,1100 11.318,1101 5.845,1102 8.771,1103 0.117,1104 0.054,1105 8.771,1106 4.054,1107 6.799,1108 0.078,1109 0.028,1110 6.799,1111 2.478,1112 0.331,1113 101.207,1114 0.21,1115 30.713,1116 0.575,1117 166,1118 583.288,1119 189.764,1120 540.695,1121 701.95,1122 500,1123 192,1124 482.378,1125 214.47,1126 479.965,1127 697.06,1128 449,1129 6.569} {0 CHEMBL1778533,1 1.591,2 12.971,3 1.658,4 2.75,5 120.622,6 7.286,7 0.306,8 4.263,9 4.373,10 3.777,11 3.712,12 5.411,13 3.71,14 4.824,15 4.988,16 4.15,17 4.108,18 6.016,19 4.078,20 5.123,21 5.333,22 4.222,23 4.247,24 6.232,25 4.193,26 5.231,27 5.443,28 4.263,29 4.276,30 6.364,31 4.239,32 5.228,33 5.417,34 4.385,35 4.327,36 6.566,37 4.294,38 5.326,39 5.537,40 4.367,41 4.364,42 6.611,43 4.307,44 5.361,45 5.596,46 4.192,47 4.284,48 6.507,49 4.211,50 5.209,51 5.442,52 4.11,53 4.153,54 6.359,55 4.102,56 0.156,57 0.897,58 14.032,59 6.061,60 22.888,61 7.809,62 0.615,63 1.428,64 26.981,65 9.773,66 96.495,67 13.55,68 0.919,69 1.758,70 38.805,71 11.846,72 110.323,73 17.205,74 1.177,75 1.813,76 44.97,77 12.481,78 153.277,79 17.68,80 1.431,81 1.862,82 43.74,83 13.156,84 206.3,85 18.551,86 1.345,87 1.97,88 48.828,89 14.694,90 199.616,91 21.005,92 1.497,93 1.858,94 53.244,95 14.54,96 212.441,97 20.692,98 1.127,99 1.627,100 45.384,101 12.198,102 153.339,103 17.471,104 63,105 50,106 0.255,107 0.601,108 0.77,109 0.836,110 0.853,111 0.858,112 3.561,113 0.942,114 -2.44,115 -2.47,116 -2.42,117 36.9,118 1,119 6,122 1,123 1,124 2,125 1,126 5,127 1,130 1,133 1,134 3,135 1,140 9,142 1,143 5,144 3,145 4,146 2,147 9,149 8,150 3,151 3,152 6,154 4,157 7,158 4,159 3,161 2,162 6,163 2,165 4,166 6,167 1,168 4,169 4,170 2,171 8,172 4,173 3,174 7,175 3,176 2,177 6,180 5,181 4,182 1,183 10,185 3,187 6,190 2,191 4,193 10,194 2,198 6,199 2,201 2,202 1,203 7,204 3,205 2,206 1,207 5,208 4,209 1,211 2152,212 22.482,213 22.482,214 22.482,215 22.482,216 22.482,217 20.666,218 20.467,219 13.4,220 22.832,221 17.689,222 17.689,223 17.689,224 17.689,225 17.689,226 14.928,227 20.872,228 6.241,229 18.15,230 4.431,231 2.272,232 1.217,233 0.804,234 0.7,235 0.669,236 4.235,238 1,239 1,240 917,241 5.099,242 233.758,243 134.388,244 1.856,245 58.125,246 1,247 0.5,248 0.83,249 1,250 0.67,252 0.71,253 76.5,254 441,255 4.566,256 4.084,257 7.628,258 4.485,259 3.503,260 4.135,261 13.901,262 3.435,263 4.437,264 3.753,265 6.5,266 4.059,267 3.075,268 3.673,269 2.375,270 10.169,271 3.028,272 3.927,273 3.711,274 5.985,275 3.725,276 2.743,277 3.32,278 1.954,279 8.481,280 2.681,281 3.831,282 3.148,283 5.896,284 3.63,285 2.641,286 3.033,287 0.86,288 8.048,289 2.594,290 3.723,291 2.803,292 5.341,293 3.299,294 2.319,295 2.972,296 0.509,297 6.779,298 2.268,299 3.212,300 2.549,301 4.868,302 2.835,303 1.847,304 2.44,305 0.25,306 5.153,307 1.82,308 3.062,309 2.277,310 4.82,311 2.763,312 1.75,313 2.079,314 4.58,315 1.757,316 2.867,317 2.19,318 4,319 2.505,320 1.574,321 2.004,322 3.383,323 1.45,324 2.72,325 1.93,326 3.971,327 2.447,328 1.459,329 1.691,330 3.265,331 1.439,332 2.5,333 1.836,334 3.729,335 2.287,336 1.317,337 1.5,338 2.877,339 1.266,340 2.412,341 1.528,342 3.636,343 2,344 1.038,345 1.381,346 2.413,347 1,348 2.342,349 1.371,350 3.618,351 1.996,352 1,353 1.266,354 2.225,355 0.975,356 2.279,357 1,358 3.458,359 1.867,360 0.889,361 1.162,362 2.136,363 0.858,364 2.081,365 0.889,366 3.247,367 1.793,368 0.809,369 0.977,370 1.891,371 0.788,372 1.618,373 0.64,374 3.214,375 1.618,376 0.618,377 0.618,378 1.464,379 0.618,380 15.533,381 0.457,382 0.919,383 0.027,384 36.25,385 1.066,386 14.5,387 0.426,388 21.75,389 0.64,390 36.818,391 1.083,392 39.667,393 0.61,394 33.041,395 0.972,396 7.243,397 0.213,398 9.01,399 0.265,400 0.172,401 0.032,402 0.29,403 0.834,404 1.394,405 0.832,406 1.233,407 0.701,408 1.057,409 0.676,410 1.307,411 0.842,412 1.151,413 0.454,414 1.054,415 0.886,416 1.091,417 0.998,418 1.051,419 0.849,420 1.043,421 1.312,422 0.916,423 1.082,424 0.876,425 1.309,426 0.907,427 0.929,428 1.096,429 0.968,430 1.032,431 1.026,432 1.009,433 0.912,434 1.096,435 0.98,436 1.114,437 1.021,438 1.07,439 1.298,440 0.871,441 1.089,442 0.901,443 1.465,444 0.941,445 1.376,446 0.942,447 1.036,448 0.881,449 1.306,450 0.876,451 8,452 0.234,453 4.222,454 2.757,455 2.211,456 1.504,457 1.047,458 0.625,459 0.537,460 0.355,461 15308,462 45717,463 1.97,464 47.7,465 4,466 12,469 4,470 5,471 4,472 2,473 1.764,474 1.813,475 3.632,476 1.575,478 1,479 103.428,480 1.591,481 3.75,482 4.806,483 5.218,484 5.322,485 5.353,486 3.089,487 4.558,488 5.059,489 3.792,490 2127.51,491 8.894,492 32553,495 391.454,496 1.627,497 4.992,498 0.222,499 0.007,500 0.084,501 0.054,502 0.042,503 0.025,504 0.019,505 0.014,506 0.012,507 0.009,508 0.488,509 0.17,510 0.75,511 1.527,512 181.971,513 -0.093,514 -0.089,515 0.014,516 -0.016,517 -0.064,518 0.021,519 0.127,520 -0.135,521 0.061,522 -0.045,523 0.17,524 -0.019,525 -0.002,526 0.003,527 -0.043,528 -0.058,529 -0.031,530 -0.063,531 -0.188,532 0.102,533 -0.073,534 0.072,535 -0.188,536 0.037,537 0.154,538 -0.049,539 0.017,540 -0.032,541 0.126,542 -0.038,543 0.105,544 -0.09,545 0.006,546 -0.13,547 0.098,548 -0.094,549 -0.126,550 0.033,551 -0.053,552 0.024,553 -0.183,554 0.006,555 -0.207,556 -0.027,557 -0.002,558 0.048,559 -0.15,560 0.071,561 2.896,562 6.286,563 0.471,564 35.606,565 1.015,566 1.135,567 1.208,568 1.458,569 0.629,570 3.611,571 3.932,572 4.174,573 4.394,574 4.543,575 4.575,576 4.625,577 4.663,578 4.595,579 4.564,580 7.484,581 0.607,582 473.58,583 3.611,584 5.153,585 5.994,586 6.874,587 7.744,588 8.63,589 9.51,590 10.4,591 11.285,592 12.176,593 4.6,595 1,596 1,597 5,598 1,599 1,600 4,601 11,604 65,605 14,606 1,607 36,608 67,609 24,610 9,611 1,612 5,613 3,614 3,616 1,619 4,620 1,621 8,622 12,623 12,624 1,625 3,627 3,628 3,630 31,631 10,632 4,633 10,635 3,636 7,637 1,638 2,639 1,640 1,642 1,643 1,644 3,646 2,648 34,651 2,652 7,653 2,654 1,655 2,656 1,658 10.8,659 2,660 3,661 1,662 1,663 18.75,664 11.767,665 7.653,666 3.874,667 1.921,668 1.266,669 0.886,670 8.972,671 9.153,672 3.818,673 4.314,674 4.75,675 5.205,676 5.566,677 5.728,678 6.052,679 6.333,680 6.488,681 6.617,682 0.889,683 51,684 12.803,685 5.626,686 8.091,687 23.576,688 19.25,689 2.591,690 88.083,692 317.82,693 109.825,694 52.807,696 181.309,698 109.825,699 499.128,700 52.807,701 19.708,702 37.81,703 65.392,704 200.131,705 15.45,706 5.449,707 317.82,709 317.82,710 162.632,711 181.309,713 247.193,714 240.935,715 11,716 72.423,717 73.423,718 16.786,719 317.82,720 234.116,721 109.825,723 317.82,724 42.735,725 67.089,726 36.022,727 198.094,728 317.82,729 234.116,730 109.825,731 0.577,732 0.336,733 0.176,734 0.098,735 21,736 11,737 0.179,738 12,739 4.283,740 309.023,741 16,742 164.974,744 26.041,745 11.715,746 6.525,747 234.116,748 9.339,749 4.348,750 5.821,751 2.177,752 121.388,753 661.76,754 44.5,756 36.979,757 -2.852,758 65.967,759 73.774,760 0.264,761 0.623,762 0.798,763 0.866,764 0.884,765 0.889,766 5.074,767 1.574,768 6.009,769 4.58,770 4.615,771 5.001,772 3.318,773 6.866,774 4.572,775 6.264,776 1.459,777 7.608,778 3.383,779 4.369,780 4.844,781 3.08,782 8.143,783 4.315,784 7.574,785 1.317,786 9.328,787 3.265,788 6.286,789 7.051,790 4.611,791 11.207,792 6.207,793 8.922,794 1.038,795 11.123,796 2.877,797 6.899,798 7.71,799 5.013,800 13.382,801 6.806,802 10.306,803 1,804 12.972,805 2.413,806 8.327,807 9.434,808 6.14,809 16.076,810 8.212,811 11.715,812 0.889,813 14.859,814 2.225,815 9.296,816 10.451,817 6.791,818 18.556,819 9.165,820 13.143,821 0.809,822 16.776,823 2.136,824 10.568,825 11.992,826 7.765,827 21.181,828 10.416,829 3.503,830 0.618,831 18.714,832 1.891,833 11.685,834 13.185,835 8.527,836 23.758,837 11.515,838 3.075,839 13.901,840 20.67,841 1.464,842 12.913,843 14.648,844 9.437,845 26.378,846 12.724,847 2.743,848 10.169,849 22.64,850 4.135,851 14.093,852 15.935,853 10.251,854 28.988,855 13.885,856 2.641,857 8.481,858 24.621,859 3.673,860 15.314,861 17.362,862 11.133,863 31.612,864 15.087,865 2.319,866 8.048,867 26.611,868 3.32,869 16.523,870 18.701,871 11.972,872 34.235,873 16.276,874 1.847,875 6.779,876 28.609,877 3.033,878 17.749,879 20.115,880 12.843,881 36.862,882 17.483,883 1.75,884 5.153,885 30.612,886 2.972,887 18.973,888 21.484,889 13.694,890 39.489,891 18.687,892 15196,893 26390,894 23.057,895 40.858,896 54.069,897 55.002,898 56.796,899 53.508,900 53.521,901 64.861,902 16.649,903 154.134,904 52.276,905 5.546,906 6.084,907 7.488,908 5.53,909 5.503,910 7.135,911 3.991,912 21.313,913 5.435,914 20.536,915 1.502,916 1.528,917 1.578,918 1.486,919 1.487,920 1.802,921 0.462,922 4.282,923 1.452,924 4.03,925 4.056,926 3.986,927 3.911,928 7.477,929 3.921,930 3.94,931 3.979,932 3.859,933 3.813,934 7.471,935 3.815,936 3.768,937 3.803,938 3.694,939 3.622,940 7.427,941 3.639,942 3.687,943 3.728,944 3.58,945 3.509,946 6.352,947 3.516,948 3.589,949 3.624,950 3.511,951 3.386,952 6.35,953 3.409,954 3.374,955 3.412,956 3.239,957 3.067,958 5.132,959 3.097,960 3.223,961 3.247,962 3.147,963 2.96,964 4.695,965 2.994,966 3.099,967 3.151,968 2.926,969 2.823,970 4.633,971 2.847,972 0.127,973 0.113,974 0.212,975 0.125,976 0.097,977 4.566,978 0.115,979 4.084,980 0.066,981 7.628,982 0.386,983 4.485,984 0.095,985 3.503,986 4.135,987 13.901,988 3.435,989 1.908,990 1.885,991 2.023,992 1.992,993 1.268,994 2.001,995 1.774,996 1.733,997 1.933,998 1.979,999 1.211,1000 1.965,1001 1.655,1002 1.615,1003 1.86,1004 1.877,1005 1.135,1006 1.862,1007 1.577,1008 1.507,1009 1.836,1010 1.751,1011 1.103,1012 1.793,1013 1.536,1014 1.493,1015 1.753,1016 1.738,1017 1.08,1018 1.74,1019 1.47,1020 1.424,1021 1.703,1022 1.651,1023 0.786,1024 1.669,1025 1.238,1026 1.191,1027 1.567,1028 1.569,1029 0.604,1030 1.553,1031 1.134,1032 1.124,1033 1.291,1034 1.465,1035 0.44,1036 1.395,1037 4.29,1038 5.609,1039 3.045,1040 7.111,1041 5.352,1042 8.698,1043 7.402,1044 10.335,1045 3.245,1048 19.354,1049 2.545,1050 5.574,1051 4.987,1052 -2.273,1053 -1.161,1054 39.443,1055 103.428,1056 243.763,1057 312.36,1058 339.189,1059 345.944,1060 347.944,1061 119.17,1062 7.231,1063 150.99,1064 150.99,1065 16,1066 12.706,1067 3.907,1068 3.248,1069 67.126,1070 152,1071 158,1072 0.213,1073 243.744,1074 438.29,1075 586.495,1076 12299,1078 24.717,1079 0.727,1080 0.57,1081 24.717,1082 19.374,1083 16.253,1084 0.451,1085 0.314,1086 11.106,1087 15.44,1088 10.858,1089 8.968,1090 16.253,1091 11.305,1092 14.673,1093 0.293,1094 0.171,1095 14.673,1096 8.562,1097 11.717,1098 0.183,1099 0.095,1100 11.717,1101 6.11,1102 9.235,1103 0.115,1104 0.054,1105 9.235,1106 4.31,1107 7.169,1108 0.077,1109 0.028,1110 7.169,1111 2.645,1112 0.334,1113 103.625,1114 0.208,1115 31.366,1116 0.583,1117 172,1118 591.288,1119 196.097,1120 549.183,1121 715.92,1122 508,1123 200,1124 495.73,1125 222.968,1126 493.795,1127 718.87,1128 462,1129 6.678} {0 CHEMBL1778534,1 1.711,2 13.588,3 2.04,4 4.162,5 120.835,6 7.968,7 0.306,8 4.226,9 4.328,10 3.815,11 3.69,12 5.401,13 3.693,14 4.783,15 4.935,16 4.204,17 4.094,18 6.016,19 4.067,20 5.092,21 5.294,22 4.26,23 4.232,24 6.229,25 4.173,26 5.184,27 5.394,28 4.259,29 4.231,30 6.343,31 4.194,32 5.181,33 5.375,34 4.373,35 4.254,36 6.539,37 4.23,38 5.231,39 5.425,40 4.401,41 4.281,42 6.588,43 4.246,44 5.282,45 5.503,46 4.223,47 4.223,48 6.471,49 4.161,50 5.121,51 5.349,52 4.104,53 4.099,54 6.261,55 4.052,56 0.212,57 0.849,58 12.116,59 5.75,60 27.038,61 7.007,62 0.691,63 1.35,64 24.602,65 9.521,66 100.836,67 12.426,68 1.06,69 1.658,70 39.296,71 12.128,72 121.67,73 16.507,74 1.301,75 1.708,76 44.569,77 12.355,78 168.058,79 16.568,80 1.569,81 1.732,82 41.535,83 12.547,84 220.139,85 17.015,86 1.486,87 1.777,88 44.203,89 13.501,90 205.253,91 18.103,92 1.691,93 1.685,94 51.8,95 14.089,96 235.844,97 18.672,98 1.165,99 1.52,100 41.81,101 11.834,102 144.764,103 16.107,104 63,105 50,106 0.277,107 0.633,108 0.786,109 0.847,110 0.857,111 0.862,112 3.56,113 0.946,114 -2.71,115 -2.72,116 -2.64,117 37.1,119 6,122 1,123 1,124 2,125 1,126 4,127 1,128 1,129 1,133 1,134 3,135 1,140 7,142 1,143 4,144 3,145 4,146 2,147 9,149 7,150 3,151 3,152 6,154 4,157 7,158 4,159 3,161 2,162 4,163 2,165 4,166 5,167 1,168 4,169 4,170 2,171 6,172 4,173 3,174 7,175 3,176 2,177 5,180 4,181 3,182 1,183 10,185 3,187 5,190 1,191 4,193 9,194 2,198 6,199 2,200 1,201 2,202 1,203 7,204 3,205 2,206 1,207 3,208 2,211 2208,212 22.43,213 22.43,214 22.43,215 22.43,216 22.43,217 20.641,218 19.643,219 13.274,220 22.909,221 17.671,222 17.671,223 17.671,224 17.671,225 17.671,226 14.938,227 18.572,228 6.184,229 18.396,230 4.243,231 2.043,232 1.096,233 0.722,234 0.657,235 0.625,236 4.234,237 1,239 1,240 960,241 5.099,242 234.804,243 135.361,244 2.059,245 60.51,246 1,247 0.5,248 0.83,249 1,250 0.67,252 0.71,253 76.833,254 462,255 4.566,256 4.084,257 7.628,258 4.485,259 3.503,260 3.977,261 13.901,262 3.435,263 4.311,264 3.752,265 6.193,266 3.935,267 2.949,268 3.673,269 2.375,270 9.27,271 2.908,272 3.953,273 3.711,274 5.98,275 3.722,276 2.741,277 3.439,278 1.954,279 8.461,280 2.677,281 3.84,282 3.019,283 5.895,284 3.63,285 2.642,286 3.042,287 0.86,288 8.047,289 2.594,290 3.781,291 2.86,292 5.273,293 3.341,294 2.405,295 2.977,296 0.509,297 6.665,298 2.248,299 3.445,300 2.796,301 5,302 3.026,303 2.1,304 2.74,305 0.25,306 5.927,307 1.872,308 3.064,309 2.487,310 4.848,311 2.763,312 1.75,313 2.08,314 4.589,315 1.757,316 2.753,317 2.276,318 4.201,319 2.505,320 1.574,321 1.833,322 3.695,323 1.45,324 2.72,325 1.959,326 3.971,327 2.336,328 1.362,329 1.691,330 3.265,331 1.3,332 2.5,333 1.927,334 3.718,335 2.258,336 1.291,337 1.5,338 2.869,339 1.229,340 2.397,341 1.421,342 3.627,343 2,344 1.019,345 1.373,346 2.321,347 1,348 2.298,349 1.371,350 3.618,351 1.963,352 1,353 1.182,354 2.275,355 0.94,356 2.173,357 1,358 3.414,359 1.83,360 0.845,361 1.033,362 1.902,363 0.814,364 2.078,365 0.74,366 3.279,367 1.63,368 0.684,369 0.954,370 1.658,371 0.643,372 1.618,373 0.639,374 3.201,375 1.618,376 0.618,377 0.618,378 1.464,379 0.618,380 15.748,381 0.463,382 0.936,383 0.028,384 36.5,385 1.074,386 14.5,387 0.426,388 22,389 0.647,390 36.129,391 1.063,392 39.452,393 0.636,394 33.044,395 0.972,396 7.251,397 0.213,398 8.985,399 0.264,400 0.183,401 0.032,402 0.286,403 0.825,404 1.386,405 0.689,406 1.127,407 0.694,408 0.99,409 0.69,410 1.297,411 0.741,412 1.073,413 0.46,414 1.028,415 0.887,416 1.093,417 0.967,418 1.032,419 0.847,420 1.051,421 1.225,422 0.927,423 0.969,424 0.874,425 1.299,426 0.912,427 0.898,428 1.034,429 0.727,430 0.891,431 1.01,432 0.904,433 0.913,434 1.093,435 0.805,436 1.066,437 1.054,438 1.048,439 1.305,440 0.856,441 0.957,442 0.854,443 1.522,444 0.927,445 1.213,446 0.977,447 0.792,448 0.849,449 1.12,450 0.865,451 8.5,452 0.235,453 4.444,454 2.222,455 2.197,456 1.507,457 0.976,458 0.666,459 0.48,460 0.341,461 15716,462 53741,463 1.97,464 45.2,465 4,466 11,468 1,469 4,470 2,471 4,472 2,473 1.763,474 1.813,475 3.681,476 1.604,478 1,479 106.106,480 1.711,481 3.911,482 4.858,483 5.232,484 5.297,485 5.329,486 3.206,487 4.558,488 5.057,489 3.852,490 2161.01,491 8.885,492 33371.5,495 369.16,496 1.627,497 4.992,498 0.236,499 0.007,500 0.089,501 0.044,502 0.043,503 0.026,504 0.018,505 0.015,506 0.011,507 0.009,508 0.499,509 0.17,510 0.75,511 1.527,512 182.811,513 -0.104,514 -0.09,515 0.002,516 -0.009,517 -0.063,518 0.024,519 0.097,520 -0.121,521 0.037,522 -0.027,523 0.166,524 -0.03,525 -0.024,526 -0.021,527 -0.064,528 -0.058,529 -0.034,530 -0.076,531 -0.186,532 0.086,533 -0.078,534 0.048,535 -0.2,536 0.028,537 0.14,538 -0.012,539 0.07,540 0.039,541 0.123,542 0.041,543 0.109,544 -0.075,545 0.026,546 -0.124,547 0.1,548 -0.096,549 -0.146,550 0.041,551 -0.034,552 0.063,553 -0.219,554 0.023,555 -0.175,556 -0.041,557 0.043,558 0.06,559 -0.116,560 0.093,561 2.915,562 6.238,563 0.471,564 37.349,565 1.023,566 1.134,567 1.476,568 2.178,569 0.644,570 3.611,571 3.932,572 4.159,573 4.357,574 4.522,575 4.575,576 4.575,577 4.635,578 4.605,579 4.543,580 7.723,581 0.625,582 493.99,583 3.611,584 5.153,585 5.989,586 6.864,587 7.728,588 8.608,589 9.482,590 10.365,591 11.245,592 12.129,593 4.8,595 1,596 1,597 5,598 1,599 1,600 4,601 11,603 1,604 62,605 14,606 1,607 36,608 64,609 23,610 9,611 2,612 4,613 3,614 3,615 1,619 4,620 1,621 8,622 12,623 11,624 1,625 3,627 3,628 3,630 28,631 10,632 4,633 11,634 1,635 3,636 7,637 1,638 2,639 1,640 1,642 1,643 1,644 3,646 1,647 1,648 34,651 2,652 7,653 2,654 1,655 2,656 1,657 1,658 11.3,659 2,660 3,661 1,662 1,663 18.75,664 10.91,665 7.625,666 3.641,667 1.973,668 1.271,669 0.888,670 9.222,671 9.24,672 3.818,673 4.314,674 4.737,675 5.167,676 5.544,677 5.767,678 6.014,679 6.324,680 6.568,681 6.597,682 1,683 50,684 12.778,685 5.639,686 8.153,687 23.362,688 19.089,689 2.653,690 90.194,692 282.506,693 101.314,694 52.807,695 39.149,696 181.309,698 101.314,699 502.964,700 52.807,701 10.883,702 37.81,703 55.916,704 211.902,705 25.241,706 5.449,707 270.735,708 39.149,709 282.506,710 154.121,711 181.309,712 39.149,713 211.88,714 240.935,715 11,716 69.888,717 67.447,718 55.934,719 282.506,720 234.116,721 140.463,723 282.506,724 43.479,725 57.835,726 36.022,727 237.243,728 282.506,729 234.116,730 140.463,731 0.579,732 0.333,733 0.168,734 0.095,735 21,736 11,737 0.188,738 12,739 4.321,740 305.959,741 16,742 164.974,744 26.321,745 11.912,746 6.878,747 234.116,748 8.379,749 4.143,750 5.687,751 1.885,752 121.388,753 657.085,754 44.5,756 36.849,757 -2.895,758 63.407,759 70.302,760 0.287,761 0.657,762 0.816,763 0.879,764 0.89,765 0.895,766 5.074,767 1.574,768 6.004,769 4.589,770 4.615,771 5.001,772 3.318,773 6.847,774 4.549,775 6.264,776 1.362,777 7.596,778 3.695,779 4.369,780 4.844,781 3.08,782 8.111,783 4.274,784 7.572,785 1.291,786 9.306,787 3.265,788 6.279,789 7.043,790 4.611,791 11.156,792 6.171,793 8.916,794 1.019,795 11.092,796 2.869,797 6.878,798 7.679,799 5.013,800 13.332,801 6.755,802 10.294,803 1,804 12.932,805 2.321,806 8.299,807 9.39,808 6.14,809 16.022,810 8.161,811 11.694,812 0.845,813 14.812,814 2.275,815 9.254,816 10.363,817 6.791,818 18.511,819 9.102,820 13.112,821 0.684,822 16.723,823 1.902,824 10.521,825 11.886,826 7.765,827 21.14,828 10.353,829 3.503,830 0.618,831 18.659,832 1.658,833 11.629,834 13.025,835 8.527,836 23.727,837 11.447,838 2.949,839 13.901,840 20.615,841 1.464,842 12.855,843 14.464,844 9.437,845 26.352,846 12.656,847 2.741,848 9.27,849 22.585,850 3.977,851 14.032,852 15.694,853 10.251,854 28.969,855 13.816,856 2.642,857 8.461,858 24.569,859 3.673,860 15.253,861 17.092,862 11.133,863 31.596,864 15.019,865 2.405,866 8.047,867 26.562,868 3.439,869 16.463,870 18.374,871 11.972,872 34.223,873 16.211,874 2.1,875 6.665,876 28.563,877 3.042,878 17.691,879 19.753,880 12.843,881 36.853,882 17.42,883 1.75,884 5.927,885 30.57,886 2.977,887 18.918,888 21.067,889 13.694,890 39.483,891 18.627,892 15591,893 28974,894 23.057,895 39.955,896 53.907,897 54.818,898 56.622,899 53.507,900 53.323,901 64.586,902 16.649,903 153.223,904 51.293,905 5.546,906 6.084,907 7.488,908 5.529,909 5.503,910 6.977,911 3.991,912 21.313,913 5.435,914 20.834,915 1.497,916 1.523,917 1.573,918 1.486,919 1.481,920 1.794,921 0.462,922 4.256,923 1.425,924 4.02,925 4.046,926 4.036,927 3.909,928 7.477,929 3.915,930 3.938,931 3.974,932 3.878,933 3.815,934 7.471,935 3.816,936 3.766,937 3.796,938 3.799,939 3.609,940 7.427,941 3.629,942 3.687,943 3.728,944 3.586,945 3.509,946 6.352,947 3.515,948 3.565,949 3.591,950 3.526,951 3.343,952 6.35,953 3.375,954 3.374,955 3.412,956 3.24,957 3.066,958 5.155,959 3.097,960 3.22,961 3.234,962 3.236,963 2.951,964 4.907,965 2.988,966 3.029,967 3.098,968 3.146,969 2.795,970 4.633,971 2.808,972 0.127,973 0.113,974 0.212,975 0.125,976 0.097,977 4.566,978 0.11,979 4.084,980 0.066,981 7.628,982 0.386,983 4.485,984 0.095,985 3.503,986 3.977,987 13.901,988 3.435,989 1.899,990 1.882,991 1.982,992 1.985,993 1.268,994 1.982,995 1.774,996 1.732,997 1.933,998 1.968,999 1.211,1000 1.964,1001 1.653,1002 1.614,1003 1.86,1004 1.875,1005 1.135,1006 1.861,1007 1.577,1008 1.507,1009 1.834,1010 1.751,1011 1.092,1012 1.793,1013 1.531,1014 1.49,1015 1.748,1016 1.736,1017 1.077,1018 1.737,1019 1.292,1020 1.268,1021 1.568,1022 1.569,1023 0.604,1024 1.553,1025 1.238,1026 1.191,1027 1.406,1028 1.468,1029 0.452,1030 1.451,1031 1.127,1032 1.111,1033 1.291,1034 1.455,1035 0.44,1036 1.391,1037 4.29,1038 5.609,1039 3.045,1040 7.106,1041 5.283,1042 8.686,1043 7.286,1044 10.315,1045 1.468,1046 5.9,1048 19.282,1049 2.463,1050 5.529,1051 4.977,1052 -2.3,1053 -1.171,1054 38.744,1055 106.106,1056 242.475,1057 301.186,1058 324.405,1059 328.405,1060 330.405,1061 120.308,1062 7.267,1063 150.99,1064 150.99,1065 16,1066 12.663,1067 3.907,1068 3.248,1069 67.225,1070 156,1071 178,1072 0.207,1073 242.484,1074 436.2,1075 583.422,1076 13216,1077 1.6,1078 24.717,1079 0.727,1080 0.574,1081 25.217,1082 19.508,1083 16.236,1084 0.451,1085 0.315,1086 10.808,1087 15.11,1088 10.59,1089 8.697,1090 16.525,1091 11.355,1092 14.756,1093 0.295,1094 0.175,1095 15.164,1096 8.736,1097 11.729,1098 0.186,1099 0.098,1100 12.018,1101 6.167,1102 8.923,1103 0.116,1104 0.054,1105 9.089,1106 4.191,1107 7.023,1108 0.077,1109 0.029,1110 7.237,1111 2.635,1112 0.327,1113 106.745,1114 0.208,1115 31.529,1116 0.561,1117 172,1118 617.491,1119 211.284,1120 602.788,1121 773.3,1122 556,1123 199,1124 509.241,1125 231.228,1126 516.475,1127 750.32,1128 483,1129 6.71} {0 CHEMBL1778535,1 1.662,2 12.939,3 0.968,4 0.936,5 115.846,6 7.55,7 0.314,8 4.213,9 4.322,10 3.756,11 3.643,12 5.397,13 3.655,14 4.765,15 4.922,16 4.12,17 4.038,18 5.996,19 4.018,20 5.068,21 5.28,22 4.171,23 4.166,24 6.192,25 4.117,26 5.169,27 5.389,28 4.215,29 4.165,30 6.33,31 4.147,32 5.148,33 5.34,34 4.34,35 4.195,36 6.533,37 4.189,38 5.201,39 5.396,40 4.32,41 4.229,42 6.578,43 4.202,44 5.253,45 5.479,46 4.124,47 4.172,48 6.432,49 4.114,50 5.103,51 5.334,52 4.062,53 4.056,54 6.247,55 4.016,56 0.216,57 0.863,58 12.665,59 5.509,60 27.033,61 6.971,62 0.698,63 1.349,64 24.553,65 8.836,66 100.104,67 12.217,68 0.984,69 1.63,70 36.39,71 10.816,72 115.496,73 15.925,74 1.282,75 1.66,76 42.408,77 10.61,78 165.948,79 15.586,80 1.562,81 1.665,82 40.473,83 10.996,84 216.935,85 15.753,86 1.468,87 1.705,88 42.359,89 12.127,90 208.538,91 17.198,92 1.602,93 1.621,94 47.889,95 12.687,96 225.294,97 17.94,98 1.118,99 1.467,100 40.457,101 10.724,102 136.631,103 15.569,104 50,105 48,106 0.27,107 0.611,108 0.765,109 0.836,110 0.854,111 0.86,112 3.532,113 0.922,114 -2.91,115 -2.92,116 -2.82,117 36.1,119 6,122 1,123 1,124 2,125 1,126 5,127 1,134 3,135 2,139 1,140 9,142 2,143 5,144 3,145 4,146 2,147 9,149 10,150 3,151 3,152 6,154 3,157 9,158 4,159 3,161 2,162 3,163 2,165 4,166 7,167 2,168 5,169 4,170 2,171 6,172 4,173 4,174 7,175 4,176 2,177 5,180 4,181 3,182 2,183 9,185 3,187 5,190 2,191 4,193 11,194 2,196 1,198 6,199 2,201 2,202 1,203 9,204 3,205 2,206 1,207 4,208 2,209 1,211 2026,212 21.982,213 21.982,214 21.982,215 21.982,216 21.982,217 20.219,218 18.042,219 13.187,220 22.342,221 17.205,222 17.205,223 17.205,224 17.205,225 17.205,226 14.533,227 17.931,228 6.147,229 17.671,230 4.268,231 2.169,232 1.219,233 0.779,234 0.668,235 0.635,236 4.207,238 1,239 1,240 890,241 5.05,242 226.518,243 131.494,244 1.884,245 57.775,246 0.75,247 0.5,248 0.67,249 0.9,250 0.5,252 0.62,253 75,254 427,255 4.566,256 4.084,257 7.628,258 4.485,259 3.503,260 3.956,261 13.901,262 3.435,263 4.298,264 3.752,265 6.189,266 3.92,267 2.94,268 3.673,269 2.375,270 9.258,271 2.88,272 3.927,273 3.711,274 5.979,275 3.714,276 2.732,277 3.284,278 1.954,279 8.457,280 2.671,281 3.831,282 2.968,283 5.895,284 3.629,285 2.641,286 3.018,287 0.86,288 8.047,289 2.594,290 3.677,291 2.801,292 5.25,293 3.256,294 2.275,295 2.959,296 0.509,297 6.573,298 2.225,299 3.12,300 2.548,301 4.849,302 2.763,303 1.75,304 2.35,305 0.25,306 4.593,307 1.758,308 3.061,309 2.276,310 4.336,311 2.683,312 1.698,313 2.079,314 4.179,315 1.67,316 2.72,317 2.001,318 3.971,319 2.505,320 1.574,321 1.691,322 3.265,323 1.45,324 2.6,325 1.928,326 3.728,327 2.294,328 1.322,329 1.62,330 2.888,331 1.273,332 2.5,333 1.693,334 3.638,335 2.14,336 1.153,337 1.5,338 2.692,339 1.13,340 2.389,341 1.371,342 3.618,343 2,344 1,345 1.368,346 2.258,347 1,348 2.283,349 1.132,350 3.473,351 1.94,352 1,353 1.164,354 2.136,355 0.923,356 2.163,357 1,358 3.267,359 1.813,360 0.823,361 1.015,362 1.885,363 0.8,364 2.078,365 0.683,366 3.247,367 1.659,368 0.669,369 0.954,370 1.636,371 0.661,372 1.618,373 0.639,374 3.199,375 1.618,376 0.618,377 0.618,378 1.464,379 0.618,380 14.933,381 0.453,382 0.83,383 0.025,384 35.75,385 1.083,386 14.5,387 0.439,388 21.25,389 0.644,390 33.727,391 1.022,392 38.467,393 0.631,394 32.28,395 0.978,396 7.213,397 0.219,398 8.63,399 0.262,400 0.145,401 0.033,402 0.268,403 0.824,404 1.358,405 0.798,406 1.232,407 0.694,408 1.039,409 0.659,410 1.337,411 0.847,412 1.194,413 0.455,414 1.094,415 0.838,416 1.146,417 0.969,418 1.092,419 0.833,420 1.067,421 1.274,422 0.92,423 1.052,424 0.846,425 1.321,426 0.868,427 0.979,428 1.017,429 0.935,430 0.943,431 1.067,432 0.923,433 0.967,434 1.069,435 1.015,436 1.117,437 1.089,438 1.085,439 1.297,440 0.852,441 1.106,442 0.897,443 1.49,444 0.954,445 1.229,446 0.989,447 0.987,448 0.939,449 1.102,450 0.906,451 7.5,452 0.194,453 4,454 2.16,455 2.006,456 1.396,457 0.91,458 0.594,459 0.463,460 0.31,461 14419,462 45596,463 1.987,464 45.9,465 4,466 12,469 4,470 2,471 4,472 2,473 1.756,474 1.842,475 3.621,476 1.633,478 1,479 101.41,480 1.662,481 3.762,482 4.712,483 5.152,484 5.263,485 5.295,486 3.084,487 4.476,488 5.014,489 3.79,490 2001.36,491 8.804,492 30126.1,495 361.775,496 1.573,497 4.957,498 0.214,499 0.006,500 0.083,501 0.045,502 0.04,503 0.025,504 0.017,505 0.014,506 0.011,507 0.008,508 0.464,509 0.17,510 0.63,511 1.526,512 175.356,513 -0.083,514 -0.038,515 0.015,516 -0.017,517 -0.054,518 0.019,519 0.14,520 -0.157,521 0.033,522 -0.077,523 0.172,524 -0.063,525 0.008,526 -0.083,527 -0.024,528 -0.091,529 -0.022,530 -0.076,531 -0.197,532 0.075,533 -0.041,534 0.076,535 -0.199,536 0.069,537 0.132,538 0.004,539 0.061,540 0.024,541 0.119,542 0.027,543 0.103,544 -0.057,545 -0.029,546 -0.135,547 0.105,548 -0.122,549 -0.133,550 0.031,551 -0.067,552 0.041,553 -0.203,554 0.005,555 -0.167,556 -0.073,557 0.032,558 0.007,559 -0.111,560 0.063,561 2.926,562 6.203,563 0.485,564 34.49,565 1.021,566 1.138,567 1.682,568 2.83,569 0.629,570 3.584,571 3.892,572 4.127,573 4.331,574 4.477,575 4.511,576 4.533,577 4.575,578 4.522,579 4.477,580 7.449,581 0.613,582 460.54,583 3.584,584 5.118,585 5.953,586 6.825,587 7.689,588 8.568,589 9.442,590 10.324,591 11.204,592 12.088,593 6.6,595 1,596 2,597 5,598 2,599 1,600 3,601 11,604 61,605 14,606 1,607 35,608 63,609 22,610 8,611 1,612 5,613 3,614 3,619 4,620 1,621 8,622 11,623 11,624 1,625 3,627 3,628 3,629 1,630 28,631 11,632 4,633 11,635 4,636 7,638 2,639 1,640 1,642 1,643 1,644 3,646 1,648 33,651 2,652 7,653 2,654 1,655 2,656 1,658 11.5,659 2,660 3,661 1,662 1,663 17.917,664 10.717,665 7.458,666 3.601,667 1.934,668 1.27,669 0.882,670 8.695,671 9.103,672 3.795,673 4.273,674 4.697,675 5.128,676 5.476,677 5.65,678 5.937,679 6.209,680 6.407,681 6.521,682 0.889,683 48,684 12.406,685 5.468,686 8.149,687 22.671,688 18.436,689 2.649,690 87.417,692 282.506,693 97.814,694 69.348,696 181.309,698 97.814,699 463.815,700 69.348,701 10.883,702 37.81,703 65.392,704 221.692,705 12.693,707 282.506,709 282.506,710 167.161,711 181.309,713 211.88,714 240.935,715 11,716 65.861,717 67.974,718 33.326,719 282.506,720 250.656,721 97.814,723 282.506,724 39.55,725 58.264,726 36.022,727 214.635,728 282.506,729 250.656,730 97.814,731 0.574,732 0.332,733 0.172,734 0.096,735 20,736 10,737 0.19,738 12,739 4.26,740 293.761,741 16,742 158.465,744 24.995,745 11.479,746 6.455,747 250.656,748 9.028,749 7.848,750 5.579,751 1.007,752 121.388,753 630.976,754 43.5,756 36.752,757 -2.913,758 62.302,759 69.441,760 0.28,761 0.634,762 0.795,763 0.869,764 0.887,765 0.893,766 5.042,767 1.574,768 5.958,769 4.179,770 4.575,771 4.959,772 3.318,773 6.801,774 4.53,775 6.221,776 1.322,777 7.548,778 3.265,779 4.29,780 4.732,781 3.08,782 8.078,783 4.231,784 7.522,785 1.153,786 9.259,787 2.888,788 6.232,789 6.978,790 4.611,791 11.132,792 6.149,793 8.861,794 1,795 11.051,796 2.692,797 6.825,798 7.572,799 5.013,800 13.323,801 6.726,802 10.236,803 1,804 12.897,805 2.258,806 8.261,807 9.311,808 6.14,809 16.015,810 8.14,811 11.636,812 0.823,813 14.785,814 2.136,815 9.22,816 10.26,817 6.791,818 18.509,819 9.081,820 13.055,821 0.669,822 16.703,823 1.885,824 10.494,825 11.8,826 7.765,827 21.138,828 10.335,829 3.503,830 0.618,831 18.644,832 1.636,833 11.607,834 12.924,835 8.527,836 23.726,837 11.429,838 2.94,839 13.901,840 20.603,841 1.464,842 12.837,843 14.373,844 9.437,845 26.351,846 12.639,847 2.732,848 9.258,849 22.577,850 3.956,851 14.018,852 15.593,853 10.251,854 28.968,855 13.8,856 2.641,857 8.457,858 24.563,859 3.673,860 15.242,861 16.997,862 11.133,863 31.596,864 15.005,865 2.275,866 8.047,867 26.558,868 3.284,869 16.454,870 18.273,871 11.972,872 34.223,873 16.197,874 1.75,875 6.573,876 28.56,877 3.018,878 17.683,879 19.654,880 12.843,881 36.853,882 17.408,883 1.698,884 4.593,885 30.568,886 2.959,887 18.911,888 20.964,889 13.694,890 39.482,891 18.616,892 14265,893 25514,894 22.652,895 38.341,896 52.377,897 53.007,898 54.629,899 51.749,900 51.752,901 62.854,902 16.649,903 147.066,904 50.498,905 5.546,906 6.084,907 7.488,908 5.529,909 5.503,910 6.956,911 3.991,912 21.313,913 5.435,914 18.659,915 1.496,916 1.514,917 1.561,918 1.479,919 1.479,920 1.796,921 0.476,922 4.202,923 1.443,924 4.005,925 4.04,926 3.957,927 3.877,928 7.477,929 3.884,930 3.933,931 3.97,932 3.856,933 3.812,934 7.471,935 3.813,936 3.756,937 3.792,938 3.684,939 3.572,940 7.427,941 3.598,942 3.686,943 3.728,944 3.577,945 3.509,946 6.352,947 3.515,948 3.541,949 3.573,950 3.485,951 3.258,952 6.35,953 3.315,954 3.374,955 3.411,956 3.239,957 3.065,958 5.255,959 3.096,960 3.219,961 3.232,962 3.147,963 2.944,964 4.701,965 2.984,966 3.029,967 3.098,968 2.849,969 2.756,970 4.633,971 2.773,972 0.13,973 0.117,974 0.218,975 0.128,976 0.1,977 4.566,978 0.113,979 4.084,980 0.068,981 7.628,982 0.397,983 4.485,984 0.098,985 3.503,986 3.956,987 13.901,988 3.435,989 1.897,990 1.872,991 2.014,992 1.989,993 1.268,994 1.994,995 1.773,996 1.732,997 1.933,998 1.976,999 1.211,1000 1.964,1001 1.651,1002 1.612,1003 1.86,1004 1.875,1005 1.135,1006 1.86,1007 1.577,1008 1.507,1009 1.833,1010 1.751,1011 1.087,1012 1.793,1013 1.53,1014 1.489,1015 1.747,1016 1.735,1017 1.068,1018 1.736,1019 1.238,1020 1.192,1021 1.567,1022 1.569,1023 0.604,1024 1.553,1025 1.158,1026 1.15,1027 1.291,1028 1.465,1029 0.44,1030 1.396,1031 1.09,1032 1.039,1033 1.275,1034 1.392,1035 0.316,1036 1.333,1037 4.263,1038 5.572,1039 3.045,1040 7.064,1041 5.283,1042 8.642,1043 7.286,1044 10.269,1045 1.467,1048 19.231,1049 2.426,1050 5.506,1051 4.972,1052 -2.315,1053 -1.172,1054 37.411,1055 101.41,1056 229.481,1057 287.436,1058 314.265,1059 321.02,1060 323.02,1061 112.441,1062 7.169,1063 163.88,1064 163.88,1065 16,1066 12.622,1067 3.907,1068 3.248,1069 64.052,1070 146,1071 155,1072 0.21,1073 231.353,1074 414.69,1075 556.262,1076 11593,1078 23.847,1079 0.723,1080 0.555,1081 23.847,1082 18.321,1083 15.842,1084 0.453,1085 0.307,1086 10.543,1087 14.966,1088 10.377,1089 8.552,1090 15.842,1091 10.755,1092 14.134,1093 0.294,1094 0.168,1095 14.134,1096 8.041,1097 11.318,1098 0.186,1099 0.094,1100 11.318,1101 5.721,1102 8.771,1103 0.117,1104 0.053,1105 8.771,1106 3.947,1107 6.799,1108 0.078,1109 0.028,1110 6.799,1111 2.404,1112 0.331,1113 101.661,1114 0.21,1115 30.713,1116 0.575,1117 166,1118 602.933,1119 191.596,1120 558.714,1121 726.03,1122 516,1123 192,1124 504.375,1125 216.606,1126 499.829,1127 724.84,1128 467,1129 5.523} {0 CHEMBL1778536,1 1.662,2 12.939,3 1.059,4 1.121,5 113.219,6 7.55,7 0.314,8 4.213,9 4.321,10 3.757,11 3.644,12 5.4,13 3.655,14 4.763,15 4.923,16 4.117,17 4.04,18 5.992,19 4.019,20 5.067,21 5.28,22 4.169,23 4.168,24 6.189,25 4.118,26 5.167,27 5.389,28 4.215,29 4.167,30 6.328,31 4.147,32 5.149,33 5.34,34 4.342,35 4.193,36 6.535,37 4.188,38 5.203,39 5.395,40 4.322,41 4.225,42 6.58,43 4.201,44 5.253,45 5.478,46 4.125,47 4.171,48 6.433,49 4.114,50 5.103,51 5.334,52 4.062,53 4.056,54 6.247,55 4.016,56 0.235,57 0.862,58 12.693,59 5.446,60 27.474,61 6.981,62 0.675,63 1.361,64 24.464,65 8.835,66 99.55,67 12.223,68 0.98,69 1.642,70 36.329,71 10.753,72 115.501,73 15.942,74 1.255,75 1.671,76 42.227,77 10.525,78 165.055,79 15.616,80 1.566,81 1.654,82 40.534,83 11.059,84 216.989,85 15.736,86 1.485,87 1.688,88 42.511,89 12.232,90 209.038,91 17.166,92 1.615,93 1.616,94 47.979,95 12.729,96 225.74,97 17.925,98 1.118,99 1.467,100 40.457,101 10.724,102 136.631,103 15.569,104 50,105 48,106 0.27,107 0.616,108 0.765,109 0.836,110 0.854,111 0.86,112 3.532,113 0.922,114 -2.91,115 -2.92,116 -2.82,117 36.1,119 6,122 1,123 1,124 2,125 1,126 5,127 1,131 1,134 3,135 1,139 1,140 9,142 2,143 5,144 3,145 4,146 2,147 9,149 10,150 3,151 3,152 6,154 3,157 9,158 4,159 3,161 2,162 3,163 2,165 4,166 7,167 2,168 5,169 4,170 2,171 6,172 4,173 4,174 7,175 4,176 2,177 5,180 4,181 3,182 2,183 9,185 3,187 5,190 2,191 4,193 11,194 2,196 1,198 6,199 2,201 2,202 1,203 9,204 3,205 2,206 1,207 4,208 2,209 1,211 2026,212 21.982,213 21.982,214 21.982,215 21.982,216 21.982,217 20.219,218 18.042,219 13.187,220 22.359,221 17.205,222 17.205,223 17.205,224 17.205,225 17.205,226 14.533,227 17.931,228 6.147,229 17.718,230 4.268,231 2.136,232 1.219,233 0.779,234 0.668,235 0.635,236 4.207,238 1,239 1,240 890,241 5.05,242 226.518,243 131.494,244 1.884,245 57.51,246 0.75,247 0.5,248 0.67,249 0.9,250 0.5,252 0.62,253 75,254 427,255 4.566,256 4.084,257 7.628,258 4.485,259 3.503,260 3.956,261 13.901,262 3.435,263 4.298,264 3.752,265 6.189,266 3.906,267 2.94,268 3.673,269 2.375,270 9.258,271 2.838,272 3.927,273 3.711,274 5.979,275 3.713,276 2.732,277 3.284,278 1.954,279 8.457,280 2.668,281 3.831,282 2.968,283 5.895,284 3.629,285 2.641,286 3.018,287 0.86,288 8.047,289 2.594,290 3.677,291 2.801,292 5.25,293 3.256,294 2.275,295 2.959,296 0.509,297 6.573,298 2.225,299 3.12,300 2.548,301 4.849,302 2.763,303 1.75,304 2.35,305 0.25,306 4.593,307 1.758,308 3.061,309 2.276,310 4.336,311 2.68,312 1.698,313 2.079,314 4.179,315 1.664,316 2.72,317 2.001,318 3.971,319 2.505,320 1.574,321 1.691,322 3.265,323 1.45,324 2.6,325 1.928,326 3.728,327 2.294,328 1.322,329 1.62,330 2.888,331 1.274,332 2.5,333 1.693,334 3.638,335 2.137,336 1.153,337 1.5,338 2.692,339 1.126,340 2.389,341 1.371,342 3.618,343 2,344 1,345 1.368,346 2.258,347 1,348 2.283,349 1.132,350 3.473,351 1.939,352 1,353 1.164,354 2.136,355 0.922,356 2.163,357 1,358 3.267,359 1.814,360 0.823,361 1.015,362 1.885,363 0.801,364 2.078,365 0.683,366 3.247,367 1.631,368 0.669,369 0.954,370 1.636,371 0.641,372 1.618,373 0.639,374 3.199,375 1.618,376 0.618,377 0.618,378 1.464,379 0.618,380 14.933,381 0.453,382 0.83,383 0.025,384 36,385 1.091,386 14.5,387 0.439,388 21.5,389 0.652,390 33.608,391 1.018,392 38.467,393 0.631,394 32.4,395 0.982,396 7.233,397 0.219,398 8.61,399 0.261,400 0.145,401 0.033,402 0.268,403 0.797,404 1.391,405 0.797,406 1.22,407 0.689,408 1.038,409 0.651,410 1.334,411 0.847,412 1.192,413 0.455,414 1.094,415 0.821,416 1.158,417 0.968,418 1.086,419 0.832,420 1.066,421 1.234,422 0.924,423 1.043,424 0.85,425 1.316,426 0.87,427 0.996,428 1.006,429 0.936,430 0.949,431 1.069,432 0.923,433 1.002,434 1.057,435 1.02,436 1.121,437 1.093,438 1.084,439 1.315,440 0.85,441 1.11,442 0.895,443 1.492,444 0.953,445 1.229,446 0.989,447 0.987,448 0.939,449 1.102,450 0.906,451 7.5,452 0.194,453 4,454 2.16,455 2.006,456 1.396,457 0.91,458 0.594,459 0.463,460 0.31,461 14419,462 45614,463 1.987,464 45.9,465 4,466 12,469 4,470 2,471 4,472 2,473 1.756,474 1.842,475 3.621,476 1.633,478 1,479 101.41,480 1.662,481 3.795,482 4.712,483 5.152,484 5.263,485 5.295,486 3.084,487 4.476,488 5.014,489 3.79,490 2001.36,491 8.804,492 30126.1,495 361.775,496 1.573,497 4.957,498 0.214,499 0.006,500 0.083,501 0.045,502 0.04,503 0.025,504 0.017,505 0.014,506 0.011,507 0.008,508 0.464,509 0.17,510 0.63,511 1.526,512 175.356,513 -0.055,514 -0.071,515 0.017,516 -0.005,517 -0.05,518 0.02,519 0.127,520 -0.147,521 0.03,522 -0.078,523 0.17,524 -0.063,525 0.01,526 -0.09,527 -0.025,528 -0.086,529 -0.023,530 -0.075,531 -0.186,532 0.081,533 -0.037,534 0.07,535 -0.197,536 0.067,537 0.131,538 0.01,539 0.062,540 0.02,541 0.119,542 0.026,543 0.097,544 -0.054,545 -0.029,546 -0.137,547 0.104,548 -0.122,549 -0.138,550 0.028,551 -0.069,552 0.044,553 -0.204,554 0.006,555 -0.167,556 -0.073,557 0.032,558 0.007,559 -0.111,560 0.063,561 2.926,562 6.203,563 0.485,564 34.49,565 1.021,566 1.138,567 1.682,568 2.83,569 0.629,570 3.584,571 3.892,572 4.127,573 4.331,574 4.477,575 4.511,576 4.533,577 4.575,578 4.522,579 4.477,580 7.449,581 0.613,582 460.54,583 3.584,584 5.118,585 5.953,586 6.825,587 7.689,588 8.568,589 9.442,590 10.324,591 11.204,592 12.088,593 6.6,595 1,596 2,597 5,598 2,599 1,600 3,601 11,604 61,605 14,606 1,607 35,608 63,609 22,610 8,611 1,612 5,613 3,614 3,619 4,620 1,621 8,622 11,623 11,624 1,625 3,627 3,628 3,629 1,630 28,631 11,632 4,633 11,635 4,636 7,638 2,639 1,640 1,642 1,643 1,644 3,646 1,648 33,651 2,652 7,653 2,654 1,655 2,656 1,658 11.5,659 2,660 3,661 1,662 1,663 17.917,664 10.717,665 7.458,666 3.603,667 1.934,668 1.27,669 0.881,670 8.695,671 9.103,672 3.795,673 4.273,674 4.697,675 5.128,676 5.476,677 5.65,678 5.937,679 6.209,680 6.407,681 6.521,682 0.889,683 48,684 12.403,685 5.466,686 8.149,687 22.671,688 18.444,689 2.649,690 87.417,692 282.506,693 95.122,694 72.404,696 181.535,698 95.122,699 464.042,700 72.404,701 10.883,702 37.81,703 65.392,704 219.728,705 15.248,707 282.506,709 282.506,710 167.525,711 181.535,713 214.208,714 241.162,715 11,716 60.841,717 67.974,718 36.382,719 282.506,720 253.939,721 95.122,723 282.506,724 36.857,725 58.264,726 36.022,727 217.918,728 282.506,729 253.939,730 95.122,731 0.574,732 0.332,733 0.172,734 0.096,735 20,736 10,737 0.19,738 12,739 4.26,740 293.761,741 16,742 158.465,744 24.995,745 11.479,746 6.455,747 253.939,748 9.067,749 8.106,750 5.189,751 1.101,752 121.388,753 631.567,754 43.5,756 36.752,757 -2.913,758 62.302,759 69.441,760 0.28,761 0.64,762 0.795,763 0.869,764 0.887,765 0.893,766 5.042,767 1.574,768 5.958,769 4.179,770 4.575,771 4.959,772 3.318,773 6.801,774 4.524,775 6.221,776 1.322,777 7.548,778 3.265,779 4.29,780 4.732,781 3.08,782 8.078,783 4.223,784 7.522,785 1.153,786 9.259,787 2.888,788 6.232,789 6.978,790 4.611,791 11.132,792 6.136,793 8.861,794 1,795 11.051,796 2.692,797 6.825,798 7.572,799 5.013,800 13.323,801 6.712,802 10.236,803 1,804 12.897,805 2.258,806 8.261,807 9.311,808 6.14,809 16.015,810 8.123,811 11.636,812 0.823,813 14.785,814 2.136,815 9.22,816 10.26,817 6.791,818 18.509,819 9.063,820 13.055,821 0.669,822 16.703,823 1.885,824 10.494,825 11.8,826 7.765,827 21.138,828 10.315,829 3.503,830 0.618,831 18.644,832 1.636,833 11.607,834 12.924,835 8.527,836 23.726,837 11.41,838 2.94,839 13.901,840 20.603,841 1.464,842 12.837,843 14.373,844 9.437,845 26.351,846 12.62,847 2.732,848 9.258,849 22.577,850 3.956,851 14.018,852 15.593,853 10.251,854 28.968,855 13.782,856 2.641,857 8.457,858 24.563,859 3.673,860 15.242,861 16.997,862 11.133,863 31.596,864 14.988,865 2.275,866 8.047,867 26.558,868 3.284,869 16.454,870 18.273,871 11.972,872 34.223,873 16.182,874 1.75,875 6.573,876 28.56,877 3.018,878 17.683,879 19.654,880 12.843,881 36.853,882 17.393,883 1.698,884 4.593,885 30.568,886 2.959,887 18.911,888 20.964,889 13.694,890 39.482,891 18.603,892 14265,893 25521,894 22.652,895 38.341,896 52.377,897 53.007,898 54.629,899 51.74,900 51.752,901 62.854,902 16.649,903 147.066,904 50.349,905 5.546,906 6.084,907 7.488,908 5.532,909 5.503,910 6.956,911 3.991,912 21.313,913 5.435,914 18.659,915 1.496,916 1.514,917 1.561,918 1.478,919 1.479,920 1.796,921 0.476,922 4.202,923 1.439,924 4.003,925 4.04,926 3.954,927 3.879,928 7.477,929 3.885,930 3.931,931 3.971,932 3.855,933 3.812,934 7.471,935 3.813,936 3.758,937 3.792,938 3.686,939 3.573,940 7.427,941 3.598,942 3.686,943 3.728,944 3.577,945 3.509,946 6.352,947 3.515,948 3.541,949 3.573,950 3.485,951 3.261,952 6.35,953 3.316,954 3.374,955 3.411,956 3.239,957 3.065,958 5.287,959 3.096,960 3.219,961 3.232,962 3.147,963 2.944,964 4.715,965 2.984,966 3.029,967 3.098,968 2.849,969 2.753,970 4.633,971 2.772,972 0.13,973 0.117,974 0.218,975 0.128,976 0.1,977 4.566,978 0.113,979 4.084,980 0.068,981 7.628,982 0.397,983 4.485,984 0.098,985 3.503,986 3.956,987 13.901,988 3.435,989 1.899,990 1.871,991 2.015,992 1.986,993 1.268,994 1.993,995 1.773,996 1.732,997 1.933,998 1.976,999 1.211,1000 1.964,1001 1.651,1002 1.612,1003 1.86,1004 1.876,1005 1.135,1006 1.86,1007 1.577,1008 1.507,1009 1.833,1010 1.751,1011 1.091,1012 1.793,1013 1.53,1014 1.489,1015 1.747,1016 1.736,1017 1.067,1018 1.736,1019 1.238,1020 1.191,1021 1.567,1022 1.569,1023 0.604,1024 1.553,1025 1.181,1026 1.139,1027 1.292,1028 1.467,1029 0.44,1030 1.392,1031 1.067,1032 1.051,1033 1.289,1034 1.395,1035 0.335,1036 1.337,1037 4.263,1038 5.572,1039 3.045,1040 7.064,1041 5.283,1042 8.642,1043 7.286,1044 10.269,1045 1.467,1048 19.231,1049 2.426,1050 5.506,1051 4.972,1052 -2.315,1053 -1.172,1054 37.411,1055 101.41,1056 231.481,1057 287.436,1058 314.265,1059 321.02,1060 323.02,1061 112.445,1062 7.169,1063 163.88,1064 163.88,1065 16,1066 12.622,1067 3.907,1068 3.248,1069 64.052,1070 146,1071 155,1072 0.21,1073 231.353,1074 414.69,1075 556.262,1076 11593,1078 23.847,1079 0.723,1080 0.555,1081 23.847,1082 18.321,1083 15.842,1084 0.453,1085 0.307,1086 10.546,1087 14.962,1088 10.379,1089 8.555,1090 15.842,1091 10.757,1092 14.134,1093 0.294,1094 0.168,1095 14.134,1096 8.052,1097 11.318,1098 0.186,1099 0.094,1100 11.318,1101 5.733,1102 8.771,1103 0.117,1104 0.053,1105 8.771,1106 3.955,1107 6.799,1108 0.078,1109 0.028,1110 6.799,1111 2.411,1112 0.331,1113 101.707,1114 0.21,1115 30.713,1116 0.575,1117 166,1118 602.933,1119 191.209,1120 559.048,1121 726.33,1122 516,1123 192,1124 506.481,1125 216.33,1126 501.033,1127 724.8,1128 468,1129 7.237} {0 CHEMBL42583,1 1.677,2 15.125,3 1.066,4 1.136,5 144.405,6 7.31,7 0.146,8 4.452,9 4.568,10 4.056,11 3.912,12 5.574,13 3.878,14 5.026,15 5.195,16 4.332,17 4.323,18 6.326,19 4.255,20 5.402,21 5.625,22 4.396,23 4.498,24 6.498,25 4.4,26 5.501,27 5.734,28 4.476,29 4.52,30 6.624,31 4.437,32 5.508,33 5.729,34 4.598,35 4.558,36 6.837,37 4.495,38 5.589,39 5.799,40 4.62,41 4.594,42 6.946,43 4.53,44 5.619,45 5.848,46 4.532,47 4.585,48 6.831,49 4.5,50 5.541,51 5.76,52 4.549,53 4.546,54 6.852,55 4.467,56 0.267,57 1.13,58 21.08,59 7.713,60 52.892,61 9.986,62 0.798,63 1.765,64 36.936,65 13.226,66 152.552,67 17.966,68 1.175,69 2.183,70 54.336,71 16.773,72 207.948,73 23.96,74 1.538,75 2.269,76 64.248,77 16.906,78 272.95,79 24.61,80 1.608,81 2.338,82 62.992,83 17.617,84 314.253,85 25.258,86 2.002,87 2.425,88 69.683,89 18.755,90 373.133,91 26.161,92 1.988,93 2.379,94 73.467,95 19.263,96 356.696,97 26.916,98 1.87,99 2.264,100 68.961,101 18.69,102 367.075,103 25.865,104 150,105 57,106 0.258,107 0.558,108 0.75,109 0.862,110 0.876,111 0.876,112 3.717,113 1.108,114 -1.03,115 -1.13,116 -1.22,117 32.5,119 9,120 1,121 1,122 1,123 2,124 2,126 4,127 1,128 1,134 4,136 1,137 1,138 1,140 14,141 1,142 1,143 2,144 6,145 8,146 1,147 15,148 1,149 6,150 2,151 2,152 12,153 1,154 8,155 2,156 1,157 10,158 1,159 1,160 1,161 12,162 3,163 5,164 1,165 3,166 10,167 2,168 3,169 12,170 1,171 5,172 7,173 2,174 12,175 4,176 3,177 10,178 1,179 1,180 10,181 4,183 10,184 1,185 2,186 3,187 5,188 1,189 1,190 14,191 2,192 1,193 6,194 4,195 2,196 4,197 1,198 5,199 3,200 16,201 2,202 3,203 5,205 7,206 3,207 8,208 11,209 2,210 1,211 3580,212 25.499,213 25.499,214 25.499,215 25.499,216 25.499,217 23.734,218 27.14,219 15.094,220 25.735,221 20.132,222 20.132,223 20.132,224 20.132,225 20.132,226 17.323,227 26.753,228 7.073,229 20.521,230 4.645,231 2.697,232 1.453,233 0.728,234 0.634,235 0.634,236 4.377,240 1214,241 6.403,242 147.382,243 179.24,244 2.331,245 88.891,246 0.25,247 0.33,248 0.33,249 0.7,250 0.17,252 0.4,253 91,254 605,255 4.639,256 4.315,257 7.628,258 4.506,259 3.503,260 4.43,261 13.901,262 3.511,263 4.566,264 4.037,265 6.497,266 4.099,267 3.158,268 3.677,269 2.341,270 10.306,271 2.96,272 4.058,273 3.748,274 5.996,275 3.79,276 2.804,277 3.619,278 1.953,279 8.539,280 2.757,281 3.92,282 3.72,283 5.932,284 3.694,285 2.705,286 3.093,287 1.906,288 8.26,289 2.659,290 3.839,291 3.682,292 5.861,293 3.58,294 2.583,295 3.036,296 0.263,297 7.978,298 2.551,299 3.79,300 2.824,301 5.353,302 3.485,303 2.505,304 2.956,305 0.262,306 6.892,307 2.446,308 3.377,309 2.728,310 4.883,311 3,312 2.03,313 2.649,314 5.619,315 1.956,316 3.063,317 2.448,318 4.838,319 2.764,320 1.75,321 2.079,322 4.585,323 1.759,324 2.835,325 2.2,326 4.24,327 2.731,328 1.74,329 1.824,330 4.004,331 1.72,332 2.595,333 2.037,334 3.944,335 2.414,336 1.438,337 1.552,338 3.108,339 1.39,340 2.5,341 1.917,342 3.718,343 2.304,344 1.315,345 1.5,346 2.902,347 1.291,348 2.428,349 1.664,350 3.618,351 2.104,352 1.101,353 1.39,354 2.587,355 1.086,356 2.383,357 1.378,358 3.599,359 2,360 1,361 1.277,362 2.275,363 1,364 2.19,365 1.078,366 3.465,367 1.935,368 0.918,369 1.076,370 2.206,371 0.919,372 1.671,373 1,374 3.414,375 1.618,376 0.64,377 0.651,378 1.464,379 0.618,380 18.433,381 0.461,382 1.327,383 0.033,384 39.75,385 0.994,386 15.5,387 0.388,388 24.25,389 0.606,390 49.538,391 1.238,392 48.767,393 0.61,394 40.785,395 1.02,396 7.262,397 0.182,398 11.497,399 0.287,400 0.212,401 0.072,402 0.244,403 0.755,404 1.415,405 0.909,406 1.316,407 0.731,408 1.096,409 0.453,410 1.353,411 0.987,412 1.334,413 0.432,414 1.207,415 0.879,416 1.12,417 0.936,418 1.053,419 0.891,420 1.107,421 1.109,422 0.99,423 0.983,424 0.933,425 1.109,426 0.949,427 0.899,428 1.083,429 0.895,430 1.006,431 0.879,432 0.958,433 1.129,434 1.018,435 1.058,436 1.028,437 1.117,438 1.025,439 1.29,440 0.861,441 1.064,442 0.898,443 1.313,444 0.941,445 1.09,446 1.006,447 1.024,448 1.036,449 1.142,450 0.988,451 11.5,452 0.43,453 5.111,454 2.75,455 2.867,456 1.76,457 1.328,458 1.083,459 0.667,460 0.476,461 23018,462 77161,463 1.875,464 50,465 12,466 13,469 8,470 1,471 6,473 1.804,474 1.702,475 3.815,476 4.693,479 134.136,480 1.677,481 3.625,482 4.869,483 5.594,484 5.687,485 5.687,486 3.262,487 4.634,488 5.291,489 4.013,490 3130.31,491 9.367,492 55172.1,495 505.754,496 1.731,497 5.202,498 0.28,499 0.009,500 0.09,501 0.048,502 0.048,503 0.025,504 0.019,505 0.017,506 0.011,507 0.008,508 0.556,509 0.17,510 0.5,511 2.258,512 226.563,513 -0.069,514 0.015,515 0.107,516 0.046,517 -0.098,518 0.067,519 0.222,520 -0.092,521 -0.041,522 -0.133,523 0.218,524 -0.098,525 -0.052,526 -0.064,527 -0.059,528 -0.068,529 -0.076,530 -0.089,531 -0.136,532 0.011,533 -0.021,534 0.027,535 -0.144,536 0.028,537 0.052,538 -0.05,539 0.056,540 -0.024,541 0.089,542 0.034,543 -0.024,544 -0.004,545 -0.067,546 -0.054,547 -0.004,548 -0.057,549 -0.165,550 0.085,551 -0.065,552 0.052,553 -0.173,554 0.018,555 -0.019,556 -0.032,557 -0.004,558 -0.022,559 -0.035,560 0.002,561 4.632,562 6.453,563 0.275,564 51.225,565 1.017,566 1.141,567 -0.202,568 0.041,569 0.618,570 3.738,571 4.06,572 4.19,573 4.357,574 4.533,575 4.511,576 4.5,577 4.575,578 4.489,579 4.419,580 8.671,581 0.59,582 584.77,583 3.738,584 5.283,585 6.089,586 6.961,587 7.799,588 8.673,589 9.525,590 10.401,591 11.261,592 12.139,593 5,594 1,595 2,597 4,600 2,601 6,602 1,604 80,605 12,606 1,607 41,608 81,609 26,610 6,611 2,612 4,613 2,614 2,616 1,617 1,618 1,619 4,621 11,622 10,623 16,624 1,625 6,626 1,627 6,628 4,630 40,631 13,632 8,633 14,634 1,635 4,636 9,638 1,639 1,640 2,641 1,644 2,645 1,646 1,648 40,649 1,650 1,651 3,652 11,653 3,655 3,656 1,658 11.3,659 3,660 6,663 23.5,664 13.433,665 8.917,666 4.699,667 0.943,668 1.133,669 0.872,670 13.16,671 8.044,672 3.932,673 4.413,674 4.598,675 4.886,676 5.285,677 5.197,678 5.19,679 5.432,680 5.473,681 5.344,682 1,683 57,684 15.423,685 7.085,686 8.354,687 27.591,688 22.856,689 2.854,690 114.167,692 376.675,693 92.34,694 85.324,696 272.943,697 5.807,698 86.532,699 649.618,700 85.324,701 7.19,702 95.941,703 60.117,704 284.172,705 3.186,707 376.675,709 376.675,710 171.856,711 272.943,712 5.807,713 306.049,714 343.569,716 112.346,717 59.51,718 5.807,719 376.675,720 358.266,721 92.34,722 5.807,723 376.675,724 41.437,725 45.095,726 52.426,727 305.84,728 376.675,729 358.266,730 92.34,731 0.582,732 0.311,733 0.152,734 0.09,735 21,736 13,737 0.21,738 17,739 4.647,740 369.622,741 11,742 202.877,743 1,744 33.815,745 15.567,746 11.196,747 358.266,748 5.921,751 0.603,752 213.374,753 827.281,754 50,755 -3.715,756 73.781,757 -3.74,758 81.334,759 91.271,760 0.265,761 0.573,762 0.77,763 0.885,764 0.9,765 0.9,766 5.201,767 1.75,768 6.133,769 5.619,770 4.745,771 5.1,772 3.444,773 6.973,774 4.708,775 6.411,776 1.74,777 7.73,778 4.585,779 4.635,780 5.247,781 3.246,782 8.311,783 4.561,784 7.748,785 1.438,786 9.445,787 4.004,788 6.441,789 7.212,790 4.734,791 11.282,792 6.366,793 9.119,794 1.315,795 11.234,796 3.108,797 7.107,798 8.129,799 5.113,800 13.46,801 7.006,802 10.525,803 1.101,804 13.073,805 2.902,806 8.484,807 9.712,808 6.216,809 16.119,810 8.378,811 11.952,812 1,813 14.949,814 2.587,815 9.464,816 10.923,817 6.839,818 18.591,819 9.345,820 13.397,821 0.918,822 16.853,823 2.275,824 10.71,825 12.408,826 7.794,827 21.202,828 10.588,829 3.503,830 0.64,831 18.78,832 2.206,833 11.822,834 13.747,835 8.533,836 23.775,837 11.697,838 3.158,839 13.901,840 20.725,841 1.464,842 13.035,843 15.211,844 9.426,845 26.389,846 12.911,847 2.804,848 10.306,849 22.685,850 4.43,851 14.207,852 16.613,853 10.222,854 28.997,855 14.086,856 2.705,857 8.539,858 24.657,859 3.677,860 15.418,861 18.076,862 11.09,863 31.618,864 15.302,865 2.583,866 8.26,867 26.641,868 3.619,869 16.62,870 19.513,871 11.915,872 34.239,873 16.51,874 2.505,875 7.978,876 28.632,877 3.093,878 17.838,879 20.98,880 12.774,881 36.865,882 17.736,883 2.03,884 6.892,885 30.631,886 3.036,887 19.055,888 22.437,889 13.613,890 39.492,891 18.962,892 23544,893 43252,894 25.137,895 49.466,896 60.766,897 63.795,898 63.93,899 60.529,900 60.359,901 71.687,902 18.201,903 173.308,904 59.188,905 5.63,906 6.315,907 7.536,908 5.534,909 5.503,910 7.43,911 3.99,912 21.313,913 5.511,914 29.126,915 1.482,916 1.556,917 1.559,918 1.476,919 1.472,920 1.748,921 0.444,922 4.227,923 1.444,924 4.025,925 4.051,926 4.715,927 3.95,928 7.718,929 3.903,930 3.962,931 3.956,932 3.918,933 3.887,934 7.477,935 3.829,936 3.909,937 3.938,938 3.832,939 3.832,940 7.471,941 3.798,942 3.734,943 3.765,944 3.666,945 3.598,946 7.429,947 3.568,948 3.659,949 3.714,950 3.556,951 3.487,952 7.426,953 3.49,954 3.618,955 3.652,956 3.516,957 3.42,958 6.999,959 3.442,960 3.471,961 3.515,962 3.37,963 3.262,964 6.471,965 3.269,966 3.236,967 3.289,968 3.151,969 3.002,970 6.352,971 3.022,972 0.113,973 0.105,974 0.186,975 0.11,976 0.085,977 4.639,978 0.108,979 4.315,980 0.058,981 7.628,982 0.339,983 4.506,984 0.086,985 3.503,986 4.43,987 13.901,988 3.511,989 1.919,990 1.894,991 2.039,992 2.03,993 1.4,994 2.035,995 1.838,996 1.82,997 2.001,998 2.002,999 1.337,1000 2.023,1001 1.799,1002 1.779,1003 1.974,1004 1.948,1005 1.226,1006 1.963,1007 1.657,1008 1.634,1009 1.86,1010 1.834,1011 1.211,1012 1.884,1013 1.577,1014 1.531,1015 1.763,1016 1.798,1017 1.052,1018 1.793,1019 1.57,1020 1.507,1021 1.701,1022 1.751,1023 1.01,1024 1.784,1025 1.474,1026 1.433,1027 1.653,1028 1.69,1029 0.866,1030 1.69,1031 1.373,1032 1.325,1033 1.584,1034 1.604,1035 0.858,1036 1.614,1037 4.419,1038 5.74,1039 2.398,1040 7.225,1041 4.595,1042 8.789,1043 6.605,1044 10.399,1045 0.921,1047 5.476,1048 29.097,1049 3.149,1050 7.352,1052 -3.541,1053 -1.137,1054 47.188,1055 134.136,1056 290.029,1057 389.49,1058 447.49,1059 454.999,1060 454.999,1061 266.622,1062 7.101,1063 225.22,1064 233.6,1065 11,1066 12.68,1067 3.7,1068 3.322,1069 110.594,1070 205,1071 226,1072 0.255,1073 299.167,1074 545.88,1075 721.728,1076 10121,1078 29.924,1079 0.748,1080 0.585,1081 30.174,1082 23.413,1083 18.759,1084 0.458,1085 0.369,1086 13.225,1087 17.185,1088 12.804,1089 10.587,1090 19.685,1091 15.148,1092 17.855,1093 0.313,1094 0.214,1095 19.238,1096 12.214,1097 12.477,1098 0.192,1099 0.121,1100 12.915,1101 7.863,1102 9.252,1103 0.12,1104 0.075,1105 9.797,1106 5.757,1107 7.525,1108 0.082,1109 0.041,1110 8.045,1111 3.797,1112 0.405,1113 128.458,1114 0.199,1115 36.006,1116 0.69,1117 196,1118 690.034,1119 252.084,1120 667.542,1121 839.54,1122 604,1123 220,1124 535.514,1125 280.367,1126 566.288,1127 804.47,1128 526,1129 8.469}