@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1697672

@attribute molecule_id {CHEMBL1687962,CHEMBL1689594,CHEMBL1689595,CHEMBL1689596,CHEMBL1689597,CHEMBL1689598,CHEMBL1689599,CHEMBL1689600,CHEMBL1689601,CHEMBL1689602,CHEMBL1689603,CHEMBL1689604,CHEMBL1689605,CHEMBL1689606,CHEMBL1689607,CHEMBL1689608,CHEMBL1689609,CHEMBL1689610,CHEMBL1689611,CHEMBL1689612,CHEMBL1689613,CHEMBL1689614,CHEMBL1689615,CHEMBL374508,CHEMBL589509,CHEMBL589510,CHEMBL589903,CHEMBL589904,CHEMBL592268,CHEMBL592303,CHEMBL596610,CHEMBL596611,CHEMBL597017,CHEMBL597219,CHEMBL597220,CHEMBL597624,CHEMBL597625,CHEMBL597626,CHEMBL597892,CHEMBL597896,CHEMBL602103,CHEMBL606235}
@attribute AAC numeric
@attribute C.016 numeric
@attribute C.021 numeric
@attribute C.022 numeric
@attribute C.039 numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_05_LL numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eta_F_A numeric
@attribute GATS2s numeric
@attribute IC0 numeric
@attribute MATS2e numeric
@attribute MATS2s numeric
@attribute N. numeric
@attribute nArCO numeric
@attribute nArOR numeric
@attribute nCsp numeric
@attribute NdsCH numeric
@attribute nR.C. numeric
@attribute nR.CH.X numeric
@attribute nR.Cs numeric
@attribute NssO numeric
@attribute nTB numeric
@attribute NtCH numeric
@attribute NtsC numeric
@attribute O.060 numeric
@attribute P_VSA_e_2 numeric
@attribute P_VSA_i_2 numeric
@attribute P_VSA_MR_6 numeric
@attribute PW2 numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SpMAD_EA.ri. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SRW05 numeric
@attribute SRW07 numeric
@attribute SRW09 numeric
@attribute SssO numeric
@attribute StCH numeric
@attribute StsC numeric
@attribute JGI3 numeric
@attribute Eig01_EA.ri. numeric
@attribute nCIR numeric
@attribute NNRS numeric
@attribute nR05 numeric
@attribute nR09 numeric
@attribute P_VSA_s_4 numeric
@attribute RBF numeric
@attribute Rbrid numeric
@attribute RCI numeric
@attribute RFD numeric
@attribute SpDiam_EA.ri. numeric
@attribute SpMax_EA.ri. numeric
@attribute X1A numeric
@attribute X5A numeric
@attribute ATSC7i numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eta_F numeric
@attribute GATS7s numeric
@attribute Infective.80 numeric
@attribute P_VSA_m_2 numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.ed. numeric
@attribute SM09_AEA.bo. numeric
@attribute SM10_AEA.dm. numeric
@attribute SpDiam_EA numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMax_EA numeric
@attribute SpMax_EA.ed. numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_03_DL numeric
@attribute Eta_B_A numeric
@attribute MATS1e numeric
@attribute MATS1v numeric
@attribute CATS2D_02_AL numeric
@attribute H.047 numeric
@attribute MATS4m numeric
@attribute P_VSA_LogP_2 numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax1_Bh.m. numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMax1_Bh.v. numeric
@attribute Chi1_EA.bo. numeric
@attribute TIC2 numeric
@attribute X2 numeric
@attribute X2sol numeric
@attribute SpMin5_Bh.s. numeric
@attribute CIC1 numeric
@attribute MAXDP numeric
@attribute Hy numeric
@attribute P_VSA_e_3 numeric
@attribute P_VSA_i_4 numeric
@attribute P_VSA_LogP_4 numeric
@attribute P_VSA_LogP_6 numeric
@attribute SdsCH numeric
@attribute SpMin4_Bh.v. numeric
@attribute S1K numeric
@attribute GATS2m numeric
@attribute MATS1p numeric
@attribute O. numeric
@attribute BIC0 numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_08_DL numeric
@attribute H.048 numeric
@attribute N.074 numeric
@attribute nCconj numeric
@attribute NdsN numeric
@attribute NsOH numeric
@attribute O.057 numeric
@attribute SdsN numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SsOH numeric
@attribute GATS4m numeric
@attribute SM07_EA.bo. numeric
@attribute SM08_EA.bo. numeric
@attribute SM09_EA.bo. numeric
@attribute SM10_EA.bo. numeric
@attribute SM11_EA.bo. numeric
@attribute ATSC7e numeric
@attribute Uindex numeric
@attribute ATS2s numeric
@attribute SpMax6_Bh.s. numeric
@attribute MATS4v numeric
@attribute Mi numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMin2_Bh.m. numeric
@attribute TIC3 numeric
@attribute SM11_EA.ed. numeric
@attribute SM12_EA.ed. numeric
@attribute SM13_EA.ed. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_EA.ed. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_EA numeric
@attribute SM15_EA.ed. numeric
@attribute SM15_EA.ri. numeric
@attribute TIC1 numeric
@attribute GATS2e numeric
@attribute MATS1m numeric
@attribute ATSC8i numeric
@attribute Psi_i_1 numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.m. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMin5_Bh.p. numeric
@attribute TIC4 numeric
@attribute X1Kup numeric
@attribute X1MulPer numeric
@attribute X1Per numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_EA.ed. numeric
@attribute nN numeric
@attribute Psi_e_1 numeric
@attribute SM03_AEA.ri. numeric
@attribute ATSC4v numeric
@attribute piPC02 numeric
@attribute piPC03 numeric
@attribute SM02_EA.bo. numeric
@attribute SM06_AEA.bo. numeric
@attribute SpAD_EA.bo. numeric
@attribute ATS1s numeric
@attribute ATS4v numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6p numeric
@attribute ATS6v numeric
@attribute ATSC6i numeric
@attribute ATSC6p numeric
@attribute ATSC6v numeric
@attribute ATSC7p numeric
@attribute ATSC7v numeric
@attribute BID 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.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute CID numeric
@attribute DECC numeric
@attribute Dz numeric
@attribute Eig03_EA numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. 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.ed. numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.ed. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_betaS numeric
@attribute GMTI numeric
@attribute IDDM numeric
@attribute IDET numeric
@attribute IDMT numeric
@attribute IVDM numeric
@attribute LPRS numeric
@attribute MDDD numeric
@attribute MPC01 numeric
@attribute MWC01 numeric
@attribute nBO numeric
@attribute nSK numeric
@attribute ON0V numeric
@attribute ON1 numeric
@attribute Pol numeric
@attribute Psi_i_s numeric
@attribute Psi_i_t numeric
@attribute RBN numeric
@attribute RDCHI numeric
@attribute RDSQ numeric
@attribute S0K numeric
@attribute SM02_AEA.bo. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM07_AEA.dm. numeric
@attribute SM07_AEA.ri. numeric
@attribute SM08_AEA.ri. numeric
@attribute SM09_AEA.ri. numeric
@attribute SM11_AEA.bo. numeric
@attribute SMTI numeric
@attribute SMTIV numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SpMax7_Bh.v. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMin6_Bh.i. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SpMin7_Bh.i. numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMin8_Bh.i. numeric
@attribute SRW02 numeric
@attribute X1 numeric
@attribute X1Mad numeric
@attribute X1sol numeric
@attribute XMOD numeric
@attribute Xu numeric
@attribute ATSC3i numeric
@attribute Eta_FL_A numeric
@attribute SPI numeric
@attribute SpMax8_Bh.i. numeric
@attribute ATS5e numeric
@attribute ATS6e numeric
@attribute ATS7e numeric
@attribute ON0 numeric
@attribute VvdwZAZ numeric
@attribute SpMAD_AEA.ri. numeric
@attribute SpMAD_EA numeric
@attribute CATS2D_04_DA numeric
@attribute ATSC8p numeric
@attribute ATSC3s numeric
@attribute piPC07 numeric
@attribute CATS2D_06_LL numeric
@attribute IC2 numeric
@attribute SpMax3_Bh.m. numeric
@attribute C.017 numeric
@attribute C.018 numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig09_EA numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.ed. numeric
@attribute MATS6m numeric
@attribute MATS6s numeric
@attribute MPC03 numeric
@attribute nC numeric
@attribute nR.Ct numeric
@attribute piPC01 numeric
@attribute PJI2 numeric
@attribute P_VSA_LogP_5 numeric
@attribute SCBO numeric
@attribute SM03_AEA.dm. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM08_AEA.dm. numeric
@attribute SM09_AEA.dm. numeric
@attribute SM10_AEA.ri. numeric
@attribute SM13_AEA.ri. numeric
@attribute SM15_AEA.ri. numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMax2_Bh.p. numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMin2_Bh.i. numeric
@attribute SpMin6_Bh.e. numeric
@attribute SpMin6_Bh.m. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin6_Bh.v. numeric
@attribute SRW08 numeric
@attribute X3 numeric
@attribute X3sol numeric
@attribute ZM1Mad numeric
@attribute ZM2Mad numeric
@attribute P_VSA_LogP_7 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.037 numeric
@attribute Eig01_EA.bo. numeric
@attribute H.049 numeric
@attribute N.073 numeric
@attribute NaaaC numeric
@attribute nArC.N numeric
@attribute nArOH numeric
@attribute nPyrroles numeric
@attribute SM11_AEA.ri. numeric
@attribute SM12_EA.bo. numeric
@attribute SM13_EA.bo. numeric
@attribute SM14_EA.bo. numeric
@attribute SM15_EA.bo. numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpMax_EA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Neoplastic.80 numeric
@attribute ATSC3v numeric
@attribute SpMin4_Bh.p. numeric
@attribute SpMin4_Bh.s. numeric
@attribute H.050 numeric
@attribute nHDon numeric
@attribute SAdon numeric
@attribute SpMin3_Bh.e. numeric
@attribute Eig01_AEA.bo. numeric
@attribute SpMax_AEA.bo. numeric
@attribute Eig05_EA numeric
@attribute SM13_AEA.bo. numeric
@attribute D.Dtr09 numeric
@attribute GATS1s numeric
@attribute ATS3s numeric
@attribute ATS6m numeric
@attribute P_VSA_MR_5 numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_v_2 numeric
@attribute nBT numeric
@attribute SpMax4_Bh.m. numeric
@attribute TIC5 numeric
@attribute X2v numeric
@attribute SpMin4_Bh.m. numeric
@attribute ATS2v numeric
@attribute SpAD_EA.ed. numeric
@attribute SpMin4_Bh.e. numeric
@attribute piPC10 numeric
@attribute SpMin2_Bh.v. numeric
@attribute X2Av numeric
@attribute Eig06_EA.ri. numeric
@attribute X1v numeric
@attribute ATS1p numeric
@attribute ATS1v numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SM04_AEA.dm. numeric
@attribute SM05_AEA.ri. numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpAD_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 VvdwMG numeric
@attribute Vx numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS4i numeric
@attribute ATSC2v numeric
@attribute ON1V numeric
@attribute SpMax3_Bh.e. numeric
@attribute ATSC5s numeric
@attribute SpMax2_Bh.s. numeric
@attribute ATSC3m numeric
@attribute Eta_L numeric
@attribute ATS4s numeric
@attribute ATS6i numeric
@attribute ATS7i numeric
@attribute SAtot numeric
@attribute SpMin8_Bh.m. numeric
@attribute TIE numeric
@attribute PDI numeric
@attribute ATSC8m numeric
@attribute SdssC numeric
@attribute SpMAD_EA.ed. numeric
@attribute ATS6s numeric
@attribute CATS2D_06_AA numeric
@attribute ATSC8v numeric
@attribute ATSC1m numeric
@attribute ATSC1v numeric
@attribute ATSC4s numeric
@attribute SpMax6_Bh.m. numeric
@attribute IAC numeric
@attribute TIC0 numeric
@attribute X0v numeric
@attribute piPC09 numeric
@attribute Chi1_EA.ri. numeric
@attribute MW numeric
@attribute X0sol numeric
@attribute ATSC1s numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eta_C_A numeric
@attribute Eta_sh_y numeric
@attribute SdO numeric
@attribute GGI9 numeric
@attribute CENT numeric
@attribute Psi_e_A numeric
@attribute Psi_i_A numeric
@attribute ATS5i numeric
@attribute ATS7p numeric
@attribute ATS7v numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC5v numeric
@attribute ISIZ numeric
@attribute nAT numeric
@attribute Se numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.v. numeric
@attribute Eig05_EA.ri. numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute nH numeric
@attribute SM05_EA.bo. numeric
@attribute SM06_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute PHI numeric
@attribute X0 numeric
@attribute Eta_betaS_A numeric
@attribute ATSC5p numeric
@attribute Eig14_AEA.dm. numeric
@attribute Hypnotic.80 numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig07_AEA.ed. numeric
@attribute piPC06 numeric
@attribute X4A numeric
@attribute ATS4p numeric
@attribute SpMin2_Bh.p. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMax4_Bh.e. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA.ri. numeric
@attribute SaaaC numeric
@attribute IC1 numeric
@attribute Eta_C numeric
@attribute Eta_epsi numeric
@attribute DBI numeric
@attribute GGI6 numeric
@attribute D.Dtr05 numeric
@attribute MATS4i numeric
@attribute X4v numeric
@attribute AMR numeric
@attribute ATS3v numeric
@attribute BBI numeric
@attribute Eig11_EA.ed. numeric
@attribute MPC02 numeric
@attribute MWC02 numeric
@attribute MWC03 numeric
@attribute Psi_i_0 numeric
@attribute SM02_EA numeric
@attribute SM06_AEA.ri. numeric
@attribute SpAD_AEA.bo. numeric
@attribute SpAD_EA numeric
@attribute SpMin8_Bh.s. numeric
@attribute SRW04 numeric
@attribute SRW06 numeric
@attribute ZM1 numeric
@attribute ZM2 numeric
@attribute SpMax4_Bh.v. numeric
@attribute GATS1e numeric
@attribute ATS7s numeric
@attribute Eta_betaP_A numeric
@attribute P_VSA_MR_2 numeric
@attribute CATS2D_09_AL numeric
@attribute ATS8p numeric
@attribute ATSC1p numeric
@attribute ATSC5m numeric
@attribute CATS2D_09_DL numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute Eig08_EA numeric
@attribute Eig09_EA.ed. numeric
@attribute SM02_AEA.dm. numeric
@attribute SM04_AEA.ri. numeric
@attribute SM04_EA.ri. numeric
@attribute X3v numeric
@attribute GATS4v numeric
@attribute Sv numeric
@attribute Eig07_EA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute SpMin1_Bh.s. numeric
@attribute Eig07_EA.bo. numeric
@attribute ATSC2s numeric
@attribute CATS2D_07_LL numeric
@attribute SpMax3_Bh.s. numeric
@attribute SpDiam_AEA.bo. numeric
@attribute SpMax3_Bh.p. numeric
@attribute S2K numeric
@attribute CATS2D_05_DL numeric
@attribute ATS1i numeric
@attribute ATS2i numeric
@attribute SpMax4_Bh.i. numeric
@attribute AMW numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMin2_Bh.s. numeric
@attribute ATSC2i numeric
@attribute NssCH2 numeric
@attribute SssCH2 numeric
@attribute Eig09_EA.bo. numeric
@attribute HDcpx numeric
@attribute ATS3p numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute SM12_AEA.bo. numeric
@attribute NssNH numeric
@attribute X0Av numeric
@attribute CATS2D_04_DL numeric
@attribute Eig03_EA.ri. numeric
@attribute C.001 numeric
@attribute C.003 numeric
@attribute C.008 numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_07_DD numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute GGI7 numeric
@attribute H.046 numeric
@attribute H.052 numeric
@attribute nCp numeric
@attribute nCsp3 numeric
@attribute nCt numeric
@attribute SpMax8_Bh.m. numeric
@attribute VAR numeric
@attribute P_VSA_i_3 numeric
@attribute Chi1_EA.ed. numeric
@attribute Eta_alpha numeric
@attribute GGI10 numeric
@attribute IDM numeric
@attribute Psi_e_0 numeric
@attribute SpAD_AEA.ed. numeric
@attribute GGI1 numeric
@attribute NsssCH numeric
@attribute ZM1Kup numeric
@attribute ZM1MulPer numeric
@attribute ZM1V numeric
@attribute SaasC numeric
@attribute LLS_01 numeric
@attribute Eig04_EA.ri. numeric
@attribute C.040 numeric
@attribute Eig06_EA.ed. numeric
@attribute GATS4i numeric
@attribute SM15_AEA.dm. numeric
@attribute Eta_L_A numeric
@attribute SAacc numeric
@attribute Eig06_AEA.ed. numeric
@attribute S3K numeric
@attribute MWC04 numeric
@attribute MWC05 numeric
@attribute SM02_AEA.ed. numeric
@attribute SM04_EA numeric
@attribute piPC05 numeric
@attribute MATS2i numeric
@attribute ATSC8s numeric
@attribute C.002 numeric
@attribute nCs numeric
@attribute GGI5 numeric
@attribute ICR numeric
@attribute Qindex numeric
@attribute Eig05_AEA.dm. numeric
@attribute ATSC3p numeric
@attribute Sp numeric
@attribute GGI3 numeric
@attribute ATSC5i numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax6_Bh.p. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMin5_Bh.m. numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_04_LL numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute SM06_EA.ed. numeric
@attribute SM07_EA.ed. numeric
@attribute SM08_EA.ed. numeric
@attribute SM09_EA numeric
@attribute SM09_EA.ed. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.ed. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_EA numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_EA numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_EA numeric
@attribute SM15_AEA.ed. numeric
@attribute SpDiam_EA.ed. numeric
@attribute BIC1 numeric
@attribute ATS1e numeric
@attribute ATS2e numeric
@attribute ATS4e numeric
@attribute nO numeric
@attribute Eig06_EA numeric
@attribute Ram numeric
@attribute SM03_EA numeric
@attribute SM05_EA.ri. numeric
@attribute SM14_AEA.bo. numeric
@attribute ATS7m numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin7_Bh.v. numeric
@attribute ATSC2m numeric
@attribute Eta_beta_A numeric
@attribute CATS2D_02_LL numeric
@attribute Eig06_EA.bo. numeric
@attribute NdssC numeric
@attribute piID numeric
@attribute SM07_AEA.bo. numeric
@attribute Wap numeric
@attribute X4 numeric
@attribute X4sol numeric
@attribute X5 numeric
@attribute Yindex numeric
@attribute Eig11_EA.bo. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute ATS1m numeric
@attribute ATS3m numeric
@attribute GATS6e numeric
@attribute GATS6s numeric
@attribute SpMax2_Bh.m. numeric
@attribute SpMAD_AEA.bo. numeric
@attribute Si numeric
@attribute Eig09_AEA.ri. numeric
@attribute CATS2D_08_LL numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin5_Bh.v. numeric
@attribute GATS6i numeric
@attribute BLI numeric
@attribute X1Av numeric
@attribute SpMax7_Bh.p. numeric
@attribute ATS8m numeric
@attribute TPSA.NO. numeric
@attribute TPSA.Tot. numeric
@attribute Eig11_EA numeric
@attribute SM05_AEA.dm. numeric
@attribute Eig07_EA numeric
@attribute SM15_AEA.bo. numeric
@attribute P_VSA_s_3 numeric
@attribute MPC07 numeric
@attribute MPC08 numeric
@attribute piPC04 numeric
@attribute SaaNH numeric
@attribute SM03_EA.bo. numeric
@attribute SM06_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.ed. numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute C.005 numeric
@attribute BIC5 numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig14_EA.dm. numeric
@attribute Eig15_EA.dm. numeric
@attribute GATS6m numeric
@attribute GATS8i numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute IDDE numeric
@attribute MATS2m numeric
@attribute MATS2v numeric
@attribute MATS3i numeric
@attribute N.068 numeric
@attribute nRNR2 numeric
@attribute NsssN numeric
@attribute SIC5 numeric
@attribute SM12_AEA.dm. numeric
@attribute SpMAD_AEA.ed. numeric
@attribute SpMin1_Bh.m. numeric
@attribute SsssN numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_v_3 numeric
@attribute PCR numeric
@attribute P_VSA_MR_1 numeric
@attribute HVcpx numeric
@attribute Eig01_EA.dm. numeric
@attribute SM04_EA.dm. numeric
@attribute SM06_EA.dm. numeric
@attribute SM08_EA.dm. numeric
@attribute SM10_EA.dm. numeric
@attribute SM12_EA.dm. numeric
@attribute SM14_EA.dm. numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpMax_EA.dm. numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig12_AEA.ed. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute X4Av numeric
@attribute Eig09_EA.ri. numeric
@attribute JGI8 numeric
@attribute DELS numeric
@attribute ATSC6m numeric
@attribute Eig06_AEA.dm. numeric
@attribute nBM numeric
@attribute Uc numeric
@attribute GATS2i numeric
@attribute SM12_EA.ri. numeric
@attribute Eta_B numeric
@attribute Eig02_EA.bo. numeric
@attribute Eta_betaP numeric
@attribute SM12_AEA.ri. numeric
@attribute N.072 numeric
@attribute CIC0 numeric
@attribute SpMAD_AEA.dm. numeric
@attribute CATS2D_01_LL numeric
@attribute GATS5p numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SM03_EA.dm. numeric
@attribute SM05_EA.dm. numeric
@attribute SM07_EA.dm. numeric
@attribute SM09_EA.dm. numeric
@attribute SM11_EA.dm. numeric
@attribute pXC50 numeric

@data
{1 1.59,6 2,7 2,8 4.147,9 0.961,10 0.646,11 1.59,12 0.005,13 0.025,14 8.7,18 1,27 119.528,28 119.528,29 92.543,30 0.572,31 5.191,32 1.402,33 4.147,34 2.398,35 4.844,36 7.018,40 0.052,41 3.093,42 6,43 0.5,44 1,45 1,46 93.905,47 0.122,48 2,49 1.211,50 0.211,51 5.093,52 3.093,53 0.441,54 0.078,55 0.961,56 3.299,57 2.83,58 25.939,59 0.989,60 1,61 187.895,62 6.717,63 3.172,64 10.905,65 3.172,66 10.905,67 5.172,68 6.717,69 3.172,70 10.905,71 7,72 4,73 0.02,74 -0.112,75 0.053,76 5,77 12,78 -0.052,79 6.746,80 4.13,81 4.161,82 4.111,83 4.043,84 4.051,85 10.829,86 220.084,87 11.61,88 12.018,89 0.645,90 1.668,91 4.031,92 0.908,93 68.367,94 68.367,95 110.069,96 2.144,97 1.734,98 1.703,99 17.835,100 0.74,101 0.053,102 2.2,103 0.269,104 4,105 1,106 1,108 1,109 1,110 1,111 1,112 1,113 4.455,114 1.874,115 1.881,116 10.031,117 0.923,118 11.219,119 12.901,120 14.261,121 15.842,122 17.288,123 0.218,124 40.696,125 5.531,126 4.213,127 -0.122,128 1.119,129 4.706,130 2.029,131 244.084,132 26.686,133 29.069,134 31.427,135 15.156,136 33.803,137 16.281,138 17.771,139 36.17,140 17.386,141 177.355,142 0.766,143 0.006,144 0.877,145 15.635,146 3.417,147 3.463,148 3.338,149 3.291,150 3.289,151 1.421,152 1.379,153 1.563,154 248.084,155 8.741,156 8.547,157 7.066,158 3.858,159 3.526,160 4,161 4.206,162 3.526,163 11.344,164 4.404,165 5.07,166 5.091,167 10.239,168 61.372,169 5.079,170 3.833,171 3.819,172 5.564,173 3.697,174 3.72,175 3.574,176 1.042,177 8.041,178 10.75,179 7.574,180 10.317,181 3.339,182 18.621,183 18.621,184 18.621,185 18.621,186 18.621,187 15.917,188 11.245,189 19.043,190 4.042,191 1.734,192 57.333,193 2.344,194 2.052,195 0.826,196 1.661,197 0.704,198 0.892,199 1.635,200 0.67,201 1.595,202 0.494,203 2.779,204 1.204,205 0.255,206 0.333,207 0.584,208 0.24,209 2.46,210 -0.213,211 -0.421,212 0.007,213 0.62,214 -0.183,215 17.5,216 10841,217 4.735,218 1323.84,219 18398.2,220 4.706,221 137.812,222 23.224,223 3.434,224 3.434,225 30,226 27,227 8.076,228 5.972,229 41,230 58.944,232 6,233 4.095,234 221.571,235 128.382,236 4.958,237 0.704,238 0.255,239 1.635,240 0.584,241 -0.421,242 2.344,243 10058,244 17039,245 3.2,246 3.003,247 4.131,248 2.862,249 2.887,250 2.744,251 4.065,252 2.735,253 0.154,254 0.224,255 0.138,256 0.106,257 0.363,258 0.103,259 1.06,260 1.411,261 0.95,262 1.229,263 0.831,264 4.111,265 13.22,266 12.569,267 13.509,268 84.891,269 26.652,270 1.29,271 0.281,272 9.828,273 2.954,274 4.59,275 4.537,276 4.451,277 13.167,278 320.42,279 1.483,280 1.476,281 4,282 6.573,283 28.613,284 6.853,285 4,286 4.784,287 3.681,290 3.716,291 3.17,292 2.628,293 3.214,294 3.002,295 2.963,296 1.565,297 2.037,298 1.354,299 1.152,300 0.764,301 -0.176,302 -0.149,303 1.101,304 2.392,305 -0.239,306 -0.315,307 -0.567,308 -0.064,309 -0.141,310 4.025,311 21,313 3.75,314 1,315 59.351,316 41.5,317 1.354,318 7.324,319 -0.176,320 -0.239,321 -0.567,322 3.17,323 2.628,324 44.998,325 4.065,326 3.996,327 3.999,328 4.573,329 1.912,330 1.136,331 1.371,332 0.483,333 1.407,334 8.529,335 9.844,336 10.107,337 166.617,338 186.079,339 164.795,340 1,341 1,342 1,343 4.578,344 2,345 1,346 4,347 1,348 1,349 1,350 4.578,351 18.828,352 20.311,353 21.833,354 23.332,355 7.578,356 4.578,357 2.797,358 1,359 11.323,360 1.724,361 0.707,362 3,363 3,364 77.48,365 1.673,366 4.622,367 4.622,368 1.926,369 1.926,370 115.9,371 0.885,372 5.722,373 3.517,374 51.509,375 111.051,376 111.051,377 49,378 3.509,379 248.084,380 6.705,381 1.638,382 3.878,383 124.669,384 1.517,385 7.031,386 2.021,387 0.164,388 1.654,389 9.176,390 3.539,391 3.517,392 1.395,393 2.178,394 1.227,395 2.732,396 1.162,397 3.398,398 4.33,399 1.227,400 2.732,401 44.496,402 42.059,403 14.847,404 14.847,405 14.847,406 14.847,407 14.847,408 192.868,409 462.359,410 4.675,411 4.879,412 4.885,413 8.305,414 2.716,415 3.67,416 33.396,417 5.056,418 24.411,419 5.626,420 5.736,421 4.783,422 4.713,423 458.065,424 1.149,425 38.077,426 1.009,427 20.414,429 4.156,430 5.454,432 8.933,433 8.089,434 4.791,435 40.083,436 3.096,437 73.135,438 73.135,439 15.37,440 7.199,441 15.578,442 378.89,443 19.14,444 9.153,445 2.84,446 0.709,447 0.304,449 0.117,450 1052,451 7.683,452 2.183,453 4.825,454 3.615,455 3.464,456 5.298,457 3.362,458 11.093,459 254.084,460 46,461 46.127,462 0.898,463 1.079,464 1.108,465 1.724,466 4.342,467 4.6,468 19,469 8.137,470 10.057,471 0.4,472 5.277,473 18.64,474 0.648,475 8.304,476 0.285,478 2.725,479 4.201,480 6.528,481 0.116,482 3.93,483 2.015,484 1.137,485 3.485,486 2.619,487 1.59,488 3.802,489 3.856,490 19.142,491 27.652,492 3.162,493 0.318,494 61.783,495 0.042,496 3.271,497 109.511,498 3.942,499 41,500 2.221,501 3.738,502 4.963,503 5.814,504 19.038,505 4.419,506 2.221,507 44.725,508 44.267,509 0.223,510 5.416,511 6.923,512 142,513 167,514 3.377,515 0.908,516 5.311,517 0.759,518 66.226,520 3.502,521 3.825,522 22.236,523 2,524 3.948,525 3.927,526 1.512,527 2.937,528 1.512,529 2.937,530 5.839,531 4.665,532 1.068,533 30.842,534 3.857,535 3.857,536 1.248,537 2.22,538 17.179,539 2,540 4.912,541 5.495,542 3.512,543 7.989,544 2,545 4.053,546 4.579,547 3.529,548 8.237,549 3.74,550 3.509,551 1.168,552 1.068,553 3,554 2.33,555 1.98,556 1.691,557 4.016,558 3.158,559 2.189,560 2.189,561 1,562 0.569,563 5,564 2.129,570 3.619,571 1.042,572 0.171,576 3,578 2.86,579 98,580 270.17,581 5.357,582 13.148,583 0.148,584 8.162,585 9.927,586 45.351,587 4,589 384.309,590 412.074,591 386,592 2.604,593 0.17,594 2.114,596 4.988,597 0.985,598 4.988,599 0.208,600 94.265,601 4.764,602 3.919,603 6.688,604 7.557,605 5.778,606 5.989,607 6.272,608 -0.071,609 34.696,610 1,611 1,612 0.57,613 2.949,614 20,615 2.191,616 8.623,617 32.426,618 2.139,619 1.136,620 3.288,621 2.956,622 2.977,623 1.57,624 1,625 7,626 4.371,627 19.105,628 15.046,629 17.196,630 19.66,631 10.947,632 21.945,633 12.144,634 24.349,635 21.623,636 13.22,637 12.927,638 23.488,639 14.381,640 25.36,641 15.494,642 27.236,643 16.642,644 29.115,645 17.797,646 0.651,647 3.939,648 4.426,649 4.665,650 1,651 1.79,652 8,653 3.892,654 6.16,655 1.79,656 3.362,657 1.612,658 1.221,659 14.847,660 1.407,661 11,662 2.494,664 12.424,665 11.661,666 24212,667 8.495,668 8.73,669 6.869,670 0.391,671 1.288,672 0.108,673 3.591,674 3.985,675 1.065,676 1.211,677 4.078,678 1.491,679 51.468,680 2.339,681 4,682 1.475,683 1.576,684 1.017,685 0.918,686 0.306,687 2.862,688 3.324,689 73.3,690 73.3,691 0.954,692 0.954,693 1.654,694 1.654,695 25.623,696 4.466,697 4.489,698 5.729,699 2.958,700 4.913,701 7.683,702 2.572,703 3.585,704 4.369,705 4.277,707 0.911,708 5.468,709 6.718,712 1.009,713 0.859,714 5.306,715 5.393,716 4.459,717 -0.013,718 -0.044,719 -0.078,723 0.976,724 6.718,725 1.512,726 2.092,728 158.677,729 158.677,730 1.642,731 164.795,732 3.568,733 0.6,734 0.27,735 0.097,736 0.034,737 0.012,738 0.004,739 0.002,740 1.2,741 0.6,742 1.562,743 3.163,744 0.02,745 0.045,746 1.33,747 0.006,748 20.272,749 23.405,750 2.104,751 22,752 4.524,753 1.164,754 14.067,755 0.538,756 4.458,757 20.5,758 4.458,760 3.934,761 1.5,762 7,763 1.041,764 3.044,765 2.008,771 4.301}
{0 CHEMBL1689594,1 1.62,6 1,8 4.147,9 0.859,10 0.599,11 1.62,12 0.124,13 0.067,14 6.3,18 1,22 1,26 1,27 77.57,28 77.57,29 52.999,30 0.559,31 5.184,32 1.386,33 4.147,34 2.398,35 4.844,36 7.018,37 4.756,40 0.068,41 3.093,42 3,43 0.5,44 1,45 1,46 55.778,47 0.152,48 1,49 1.222,50 0.222,51 5.093,52 3.093,53 0.459,54 0.079,55 0.414,56 2.842,57 1.222,58 15.457,59 0.661,60 1,61 111.141,62 6.717,63 3.172,64 10.905,65 3.172,66 10.905,67 5.172,68 6.717,69 3.172,70 10.905,71 4,72 3,73 0.02,74 -0.107,75 0.013,76 2,77 8,78 -0.12,79 6.698,80 4.125,81 4.155,82 4.09,83 4.036,84 4.045,85 7.004,86 141.245,87 7.41,88 7.41,89 0.311,90 1.227,91 4.114,92 0.429,93 33.571,94 33.571,95 95.838,96 2.144,97 1.477,98 1.568,99 12.647,100 0.831,101 -0.027,102 9.4,103 0.304,108 1,109 1,110 1,111 1,112 1,113 3.964,114 1.74,115 1.735,116 9.74,117 1.035,118 10.64,119 12.305,120 13.69,121 15.267,122 16.733,123 0.392,124 31.162,125 5.281,126 4.13,127 -0.221,128 1.129,129 4.573,130 1.819,131 149.245,132 26.279,133 28.68,134 31.059,135 14.696,136 33.452,137 15.828,138 17.33,139 35.838,140 16.946,141 120.739,142 0.758,143 0.011,144 0.359,145 9.472,146 3.049,147 3.099,148 2.943,149 2.854,150 2.863,151 1.051,152 0.998,153 1.264,154 151.245,155 5.573,156 5.446,157 4.531,158 2.887,159 1.26,160 2,161 2.718,162 1.26,163 6.258,164 3.876,165 4.479,166 4.559,167 9.722,168 37.373,169 4.778,170 3.274,171 3.14,172 5.281,173 3.083,174 2.986,175 2.928,176 0.519,177 3.507,178 4.889,179 3.336,180 4.548,181 2.959,182 12.198,183 12.198,184 12.198,185 12.198,186 12.198,187 10.651,188 7.487,189 12.545,190 3.615,191 1.185,192 40,193 2.173,194 0.597,195 -0.688,196 0.109,197 -0.89,198 -1.319,199 -2.202,200 -0.885,201 0.4,202 -0.882,203 1.479,204 -0.053,205 -1,206 -1.404,207 -2.449,208 -0.948,209 1.267,210 -1.734,211 -3.21,212 -1.12,213 -0.733,214 -1.452,215 11.5,216 2726,217 4.138,218 490.275,219 4717.52,220 4.096,221 77.271,222 13.086,223 2.996,224 2.996,225 19,226 18,227 5.9,228 4.167,229 24,230 45.333,231 0.001,232 5,233 3.079,234 119.478,235 73.059,236 4.483,237 -0.89,238 -1,239 -2.202,240 -2.449,241 -3.21,242 2.173,243 2823,244 5079,245 2.824,246 2.606,247 3.712,248 2.348,249 2.46,250 2.125,251 3.617,252 2.113,253 0.243,254 0.354,255 0.218,256 0.167,257 0.574,258 0.163,259 0.72,260 1.003,261 0.61,262 1.003,263 0.312,264 3.664,265 8.72,266 8.3,267 8.72,268 55.288,269 18.293,270 0.723,271 0.273,272 8.898,273 2.581,274 4.1,275 3.942,276 3.782,277 9.667,278 219.47,279 1.449,280 1.448,281 2,282 2.941,283 43.083,284 6.254,286 4.414,287 3.368,290 3.584,291 2.836,292 1.986,293 2.823,294 2.148,295 2.036,296 0.943,297 0.818,298 -0.09,299 -0.165,300 -0.385,301 -1.375,302 -1.371,303 -0.325,304 1.229,305 -1.638,306 -1.855,307 -4.341,308 -0.048,309 -0.165,310 3.497,311 13,313 3.296,314 0.833,315 50.329,316 26,317 -0.09,318 6.812,319 -1.375,320 -1.638,321 -4.341,322 2.836,323 1.986,324 28.729,325 3.666,326 3.439,327 3.464,328 4.424,329 1.574,330 0.781,331 1.071,332 0.114,333 1.021,334 7.967,335 5.939,336 5.939,337 99.523,338 111.253,339 129.482,340 1,341 1,342 1,343 4.578,344 1,345 1,346 2,347 1,348 1,349 1,350 4.578,351 18.277,352 19.776,353 21.306,354 22.818,355 7.578,356 4.578,357 2.336,358 1,359 6.368,360 1.576,361 0.619,362 2,363 2,364 59.469,365 1.494,366 4.622,367 4.622,368 1.354,369 1.354,370 72.253,371 0.767,372 5.437,373 2.911,374 49.094,375 112.399,376 112.399,377 33,378 3.185,379 151.245,380 3.708,381 1.511,382 3.368,383 75.353,384 1.317,385 6.499,386 1.831,387 0.148,388 1.218,389 5.672,390 3.059,391 3.065,392 0.141,393 0.419,394 -0.504,395 -0.863,396 -0.458,397 2,398 3.852,399 -0.504,400 -0.863,401 27.524,402 26.329,403 9.347,404 9.347,405 9.347,406 9.347,407 9.347,408 128.697,409 305.781,410 4.208,411 4.388,412 4.315,413 5.675,414 1.904,415 3.471,416 46.903,417 6.473,418 14.794,419 3.813,420 5.372,421 4.179,422 3.982,423 331.222,424 0.858,425 29.274,426 0.923,427 8.954,428 -0.381,429 3.966,430 5.044,432 3.626,433 6.244,434 3.454,435 32.64,436 2.7,437 51.836,438 51.836,439 10.012,440 6.378,441 9.798,442 246.29,443 12.958,444 10.117,445 2.339,446 0.62,447 0.301,448 11.114,449 0.066,450 392,451 8.019,452 2.519,453 4.322,454 2.853,455 2.826,456 4.869,457 2.715,458 5.56,459 160,460 32,461 32.487,462 0.437,463 0.812,464 0.846,465 1.33,466 3.659,467 3.846,468 14,469 7.567,470 9.451,471 0.682,472 3.998,473 12.958,474 0.639,475 4.081,476 -0.904,477 1,478 2.251,479 3.295,480 5.869,481 0.122,482 3.326,483 1.856,484 0.797,485 3.349,486 1.946,487 0.933,488 1.69,489 3.773,490 11.16,491 19.9,492 3.162,493 0.264,494 38.442,495 -0.183,496 1.698,497 67.389,498 3.385,499 25,500 -1.348,501 3.258,502 4.489,503 5.313,504 12.279,505 3.932,506 -1.348,507 27.993,508 27.512,510 4.934,511 6.402,512 88,513 101,514 3.145,515 0.874,516 5.237,517 0.639,518 114.141,519 2,520 2.742,521 2.828,522 14.12,523 2,524 3.454,525 3.383,526 0.612,527 -0.204,528 0.612,529 -0.204,530 5.338,531 2.472,532 1.177,533 20.348,534 1.907,535 1.907,536 1.149,537 1.104,538 28.374,539 1,540 4.912,541 5.423,542 3.307,543 5.691,544 2,545 3.677,546 4.207,547 3.416,548 7.697,549 3.529,550 3.315,551 0.945,552 0.672,553 2,554 0.291,555 -0.111,556 1.583,557 3.411,558 2.68,559 1.74,560 1.74,562 0.556,563 3,564 2.102,565 1,570 3.193,571 -0.067,572 0.219,574 3,575 1,576 3,578 2.149,579 62,580 220.081,581 3.464,582 8.3,583 0.021,584 7.01,585 6.617,586 28.883,587 3,589 309.599,590 291.711,591 272,592 0.624,593 0.5,594 1.631,595 1,596 2.906,597 1.226,598 2.906,599 0.212,600 95.614,601 3.605,602 2.916,603 6.172,604 7.024,605 5.273,606 5.476,607 5.587,608 -0.008,609 28.382,612 0.306,613 2.447,614 11,615 1.816,616 4.912,617 20.943,618 1.639,619 0.611,620 2.879,621 2.605,622 2.625,623 1.247,624 1,625 1,626 2.27,627 5.152,628 14.529,629 16.708,630 19.183,631 10.453,632 21.497,633 11.647,634 23.917,635 21.109,636 12.739,637 12.451,638 22.981,639 13.904,640 24.859,641 15.031,642 26.744,643 16.188,644 28.632,645 17.798,646 0.709,647 3.572,648 4.052,649 4.126,650 3,651 1.331,652 5,653 3.434,654 5.718,655 1.331,656 3.017,657 1.445,658 0.977,659 11.581,660 1.278,661 5,662 1.825,663 1,664 8.733,665 11.138,666 2990,667 5.005,668 5.005,669 3.57,670 0.792,671 -0.845,672 0.194,673 3.145,674 3.437,675 1.198,676 1.177,677 3.587,678 1.473,679 36.116,680 0.859,681 1,682 1.254,683 1.259,684 0.878,685 0.896,686 0.299,687 2.316,688 2.745,689 74.68,690 74.68,691 -0.643,692 -0.643,693 1,694 1,695 21.792,696 3.85,697 3.85,698 5.129,699 2.838,700 4.388,701 7.177,702 0.868,703 2.224,704 3.584,705 3.434,707 0.888,708 5.028,709 6.057,712 1.059,713 0.944,714 4.664,715 4.726,716 4.059,717 0.051,718 0.021,719 0.034,723 0.945,724 6.057,725 1.52,726 2.029,728 77.57,729 77.57,730 1.428,731 105.94,732 3.076,733 2.473,734 3.908,735 5.562,736 7.305,737 9.084,738 10.879,739 12.682,740 4.215,741 2.473,742 -0.577,743 1.847,744 0.13,745 0.041,746 -0.084,747 0.01,748 20.824,749 12.19,750 1.631,751 12,752 3.7,753 1.107,754 13.593,755 0.366,756 3.059,757 11.5,758 3.059,760 3.38,761 1.512,762 5,763 0.972,764 2.478,765 1.912,766 2.243,767 4.321,768 6.243,769 8.103,770 9.937,771 4.301}
{0 CHEMBL1689595,1 1.505,6 2,8 4.171,9 0.817,10 0.522,11 1.505,12 0.027,13 0.081,14 7.7,18 1,27 77.578,28 77.578,29 77.578,30 0.579,31 5.171,32 1.467,33 4.171,34 2.398,35 4.844,36 7.018,40 0.073,41 3.149,42 3,43 0.5,44 1,45 1,46 66.869,47 0.037,48 1,49 1.222,50 0.222,51 5.149,52 3.149,53 0.445,54 0.079,55 0.296,56 2.839,57 0.505,58 11.438,59 0.188,60 1,61 98.713,62 6.724,63 3.18,64 10.939,65 3.18,66 10.939,67 5.18,68 6.724,69 3.18,70 10.939,71 3,72 2,73 0.029,74 -0.039,75 -0.013,76 2,77 10,78 0.21,79 27.058,80 4.013,81 4.041,82 3.973,83 3.933,84 3.938,85 5.782,86 94.702,87 6.215,88 6.215,89 0.238,90 1.428,91 4.561,92 -0.235,93 21.135,94 21.135,95 29.85,96 11.771,97 1.834,98 1.308,99 9.127,100 0.801,101 -0.068,102 3.8,103 0.301,107 1,109 3,114 1.566,115 1.539,117 0.78,118 9.861,119 11.49,120 12.692,121 14.211,122 15.515,123 0.052,124 21.164,125 4.933,126 3.467,127 0.142,128 1.126,129 3.974,130 1.819,131 102.702,132 26.313,133 28.717,134 31.099,135 14.919,136 33.496,137 16.069,138 17.358,139 35.885,140 17.209,141 85.092,142 0.849,143 0.042,144 0.162,145 7.716,146 2.874,147 3.008,148 2.545,149 2.618,150 2.57,151 0.934,152 0.804,153 1.176,154 104.702,155 4.404,156 4.209,157 3.574,158 2.273,159 -1.668,160 2,161 2.121,162 -1.668,163 6.769,164 3.597,165 4.155,166 4.277,167 9.507,168 29.159,169 4.475,170 3.097,171 2.981,172 5.038,173 2.917,174 2.785,175 2.625,176 0.45,177 2.984,178 4.061,179 2.806,180 4.242,181 2.735,182 9.207,183 9.207,184 9.207,185 9.207,186 9.207,187 8.194,188 5.479,189 9.342,190 3.373,191 0.918,192 30,193 2,194 -0.41,195 -1.396,196 -0.689,197 -1.677,198 -2.136,199 -4.756,200 -1.651,201 -0.5,202 -1.737,203 1.026,204 -0.881,205 -1.863,206 -2.17,207 -5.453,208 -1.825,209 1,210 -2.553,211 -6.253,212 -2,213 -1,214 -2,215 9,216 1162,217 3.778,218 234.941,219 1815.21,220 3.714,221 51.708,222 7.143,223 2.773,224 2.773,225 15,226 14,227 5.283,228 3.083,229 19,230 32.167,231 0.005,232 1,233 2.569,234 88.86,235 51.303,236 4.27,237 -1.677,238 -1.863,239 -4.756,240 -5.453,241 -6.253,242 2,243 1246,244 2082,245 2.633,246 2.593,247 3.377,248 2.404,249 1.983,250 1.516,251 2.967,252 1.539,253 0.301,254 0.448,255 0.278,256 0.212,257 0.729,258 0.21,259 0.725,260 0.978,261 0.356,262 0.742,264 3.434,265 6.682,266 6.436,267 6.682,268 41.856,269 13.821,270 0.638,271 0.279,272 7.052,273 2.113,274 3.807,275 3.796,276 3.424,277 7.667,278 180.83,279 1.502,280 1.501,281 1,282 1.727,283 12.878,284 5.47,286 3.642,287 3.243,288 1,289 1,290 3.25,291 2.336,292 1.97,293 2.305,294 1.303,295 0.765,296 -0.18,297 -0.871,298 -1,299 -0.631,300 -0.983,301 -1.928,302 -1.855,303 -0.809,304 0.319,305 -2,306 -3,307 -6.906,308 -0.748,309 -0.594,310 3.332,311 11,312 1,313 3.045,314 0.75,315 12.252,316 20,317 -1,318 6.698,319 -1.928,320 -2,321 -6.906,322 2.336,323 1.97,324 23.532,325 3.601,326 3.433,327 3.44,328 3.744,329 1.555,330 0.782,331 1.064,332 0.096,333 1.013,334 7.846,335 4.667,336 4.667,337 77.684,338 90.157,339 117.711,343 4.096,350 4.096,351 16.979,352 18.335,353 19.772,354 21.154,355 7.096,356 4.096,357 2.565,358 1,359 6.111,360 1.239,361 0.469,362 1,363 1,364 18.011,365 1.296,366 4.516,367 4.516,368 1.354,369 1.354,370 47.95,371 0.569,372 5.097,373 2.239,374 21.135,375 46.28,376 46.28,377 27,378 2.798,379 104.702,380 3.506,381 1.417,382 3.219,383 64.882,384 0.972,385 4.996,386 1.833,387 0.167,388 0.77,389 4.473,390 2.891,391 2.868,392 -0.792,393 -0.033,394 -1,395 -2.414,396 -0.964,397 1.267,398 3.719,399 -1,400 -2.414,401 22.532,402 22.01,403 7.416,404 7.416,405 7.416,406 7.416,407 7.416,408 104.447,409 246.611,410 3.973,411 4.148,412 4.331,413 4.907,414 1.404,415 3.355,416 19.563,417 4.784,418 10.97,419 2.77,420 5.074,421 4.035,422 3.757,423 253.34,424 0.352,425 16.759,426 0.973,427 4.878,428 0.7,429 4.325,430 4.89,432 2.702,433 5.387,434 3.035,435 21.56,436 2.499,437 39.138,438 39.138,439 8.242,440 5.299,441 7.609,442 188.25,443 10.129,444 3.673,445 2.359,446 0.563,447 0.362,448 11.561,450 168,451 7.798,452 2.298,453 4.008,454 2.417,455 2.118,456 3.367,457 1.371,458 4.585,459 122.211,460 26,461 25.949,463 0.343,464 0.348,465 1.358,466 2.954,467 3.338,468 12,469 7.005,470 8.862,471 0.8,472 2.196,473 10.129,474 0.643,475 3.357,476 -1.825,477 1,478 1.771,479 2.57,480 5.218,481 0.111,482 3.201,483 1.836,484 0.548,485 2.936,486 0.875,487 -0.114,489 3.273,490 7.888,491 14.967,492 2.449,493 0.082,494 25.276,495 0.087,496 1.525,497 55.887,498 3.254,499 21,500 -2.702,501 3.091,502 4.29,503 5.13,504 9.766,505 3.761,506 -2.702,507 23.026,508 22.514,510 4.745,511 6.248,512 72,513 84,514 2.783,515 0.745,516 4.025,517 0.679,518 25.145,520 1.755,521 2.209,522 9.942,524 3.227,525 3.257,526 -0.672,527 -2,528 -0.672,529 -2,530 5.281,531 2.097,532 0.828,533 16.392,534 -0.289,535 -0.289,536 1.111,537 -0.153,538 11.022,540 4.384,541 5.325,542 3.127,543 3.368,545 3.481,546 4.041,547 3.009,548 7.24,549 3.407,550 3.14,551 0.881,552 0.593,555 -1,556 1.514,557 3.332,558 2.619,559 1.651,560 1.651,561 1,562 0.589,563 1,564 1.91,570 2.92,571 -0.888,572 0.056,576 2,578 1.704,579 26,580 154.627,581 2.603,582 6.633,584 6.325,585 5.146,586 23.614,587 3,589 205.714,590 202.537,591 188,592 1.872,593 1,594 1.592,595 1,596 1.944,597 0.84,598 1.944,599 0.198,600 46.28,601 3.439,602 1.631,603 6.019,604 6.891,605 5.13,606 5.352,607 5.175,608 0.329,609 7.543,612 0.441,613 1.959,614 11,615 1.5,616 4.494,617 17.273,618 1.389,619 0.497,620 2.714,621 2.452,622 2.448,623 1.187,625 1,626 0.754,627 0.568,628 14.534,629 16.721,630 19.205,631 10.444,632 21.522,633 11.638,634 23.948,635 21.1,636 12.745,637 12.63,638 22.978,639 13.913,640 24.861,641 15.05,642 26.749,643 16.21,644 28.641,645 17.845,646 0.655,647 3.353,648 3.847,649 4.066,650 1,651 0.779,652 5,653 3.434,654 5.758,655 0.779,656 1.512,657 1.23,658 0.711,659 9.89,660 1.321,661 5,662 1.106,663 2,664 7.407,665 10.915,666 1576,667 4.118,668 4.118,669 3.395,670 1.23,671 -1.487,672 0.244,673 2.901,674 3.195,675 2.479,676 2.68,677 3.493,678 1.535,679 29.282,680 0.026,682 0.911,683 1.191,684 0.863,685 0.895,686 0.298,687 2.377,688 0.564,689 36.1,690 36.1,691 -1,692 -1,693 -0.117,694 -0.117,695 13.833,696 3.611,697 3.497,698 4.699,700 4.06,701 7.195,702 0.264,703 1.822,704 2.833,705 2.398,706 2,707 0.805,708 4.806,709 5.197,710 -0.4,711 -1.058,712 1.794,713 0.682,714 3.95,715 4.027,716 3.379,717 0.119,718 0.232,719 -0.329,720 1,721 1,722 1,723 0.857,724 5.197,725 1.574,726 1.995,727 1.872,728 77.578,729 77.578,730 1.3,731 129.482,732 2.515,733 1.058,734 1.379,735 1.406,736 1.462,737 1.533,738 1.613,739 1.698,740 2.117,741 1.058,742 -1.21,743 1.116,744 0.071,745 0.041,746 -0.9,748 9.759,749 10.736,750 0.959,751 8,752 3.17,753 0.801,754 13.79,755 0.404,756 3.063,757 9.5,758 3.063,759 1,760 3.195,761 1.569,762 5,763 1.241,764 2.412,765 1.869,766 0.325,767 0.268,768 0.188,769 0.125,770 0.082,771 4.301}
{0 CHEMBL1689596,1 1.696,6 2,8 4.183,9 0.814,10 0.498,11 1.696,12 -0.007,13 0.1,14 7.7,18 1,27 71.602,28 71.602,29 71.602,30 0.589,31 5.183,32 1.429,33 4.183,34 2.398,35 4.844,36 7.018,40 0.069,41 3.154,42 3,43 0.5,44 1,45 1,46 57.393,47 0.037,48 1,49 1.222,50 0.222,51 5.154,52 3.154,53 0.442,54 0.076,55 0.287,56 2.915,57 0.702,58 12.214,59 0.2,60 1,61 92.737,62 6.734,63 3.195,64 10.988,65 3.195,66 10.988,67 5.195,68 6.734,69 3.195,70 10.988,71 3,72 2,73 0.034,74 -0.058,75 -0.01,76 2,77 9,78 0.165,79 27.058,80 4.017,81 4.04,82 4.06,83 3.943,84 3.946,85 6.192,86 99.947,87 6.849,88 7.257,89 0.173,90 1.164,91 4.629,92 -0.2,93 21.135,94 21.135,95 29.85,96 11.771,97 1.789,98 1.308,99 10.365,100 0.593,101 -0.051,102 3.8,103 0.339,107 1,109 3,114 1.565,115 1.538,117 0.708,118 10.02,119 11.621,120 12.844,121 14.35,122 15.669,123 0.087,124 23.399,125 5.007,126 3.584,127 0.201,128 1.124,129 4.287,130 1.812,131 104.702,132 26.364,133 28.773,134 31.159,135 14.943,136 33.56,137 16.094,138 17.44,139 35.953,140 17.235,141 91.947,142 0.783,143 0.011,144 0.139,145 8.193,146 2.874,147 3.007,148 2.744,149 2.618,150 2.57,151 0.934,152 0.804,153 1.146,154 104.702,155 4.533,156 4.303,157 3.624,158 2.42,159 -1.511,160 2,161 2.29,162 -1.511,163 6.899,164 3.676,165 4.223,166 4.357,167 9.623,168 31.038,169 4.515,170 3.178,171 3.09,172 5.134,173 3.033,174 2.878,175 2.739,176 0.435,177 3.426,178 3.892,179 3.179,180 4.51,181 2.797,182 9.654,183 9.654,184 9.654,185 9.654,186 9.654,187 8.617,188 5.618,189 9.926,190 3.435,191 0.889,192 32.333,193 2.145,194 -0.095,195 -0.933,196 -0.563,197 -1.324,198 -1.647,199 -3.352,200 -1.096,201 -0.415,202 -1.42,203 1.118,204 -0.695,205 -1.683,206 -2.136,207 -4.871,208 -1.656,209 1.069,210 -2.261,211 -5.84,212 -1.833,213 -0.992,214 -1.859,215 9.75,216 1377,217 3.877,218 278.005,219 2265.48,220 3.796,221 57.209,222 8.018,223 2.833,224 2.833,225 16,226 15,227 5.343,228 3.25,229 21,230 35.944,231 0.003,232 1,233 2.627,234 98.826,235 56.603,236 4.337,237 -1.324,238 -1.683,239 -3.352,240 -4.871,241 -5.84,242 2.145,243 1482,244 2786,245 2.646,246 2.601,247 3.467,248 2.411,249 2.004,250 1.611,251 3.363,252 1.605,253 0.283,254 0.421,255 0.261,256 0.2,257 0.687,258 0.197,259 0.725,260 0.959,261 0.357,262 0.679,264 3.497,265 7.075,266 6.521,267 7.364,268 47.395,269 14.746,270 0.613,271 0.266,272 8.606,273 2.11,274 3.829,275 3.827,276 3.445,277 8.5,278 196.04,279 1.522,280 1.513,281 1,282 2.397,283 16.76,284 5.649,286 3.844,287 3.35,288 1,289 1,290 3.391,291 2.631,292 2.004,293 2.315,294 1.485,295 0.765,296 0.177,297 -0.655,298 -0.709,299 -0.5,300 -0.922,301 -1.885,302 -1.827,303 -0.634,304 1,305 -1.931,306 -2.557,307 -6.361,308 -0.421,309 -0.378,310 3.401,311 11,312 1,313 3.091,314 0.75,315 15.753,316 21,317 -0.709,318 6.808,319 -1.885,320 -1.931,321 -6.361,322 2.631,323 2.004,324 25.608,325 3.605,326 3.446,327 3.452,328 3.812,329 1.555,330 0.778,331 1.048,332 0.096,333 0.996,334 7.945,335 5.009,336 5.271,337 99.203,338 106.915,339 105.94,343 4.141,350 4.141,351 17.13,352 18.498,353 19.938,354 21.33,355 7.141,356 4.141,357 2.627,358 1,359 5.822,360 1.239,361 0.469,362 1,363 1,364 18.011,365 1.296,366 4.535,367 4.535,368 1.61,369 1.61,370 52.627,371 0.559,372 5.191,373 2.835,374 21.135,375 46.28,376 46.28,377 27,378 3.042,379 104.702,380 4.087,381 1.417,382 3.283,383 71.312,384 0.956,385 5.164,386 1.83,387 0.178,388 0.791,389 4.95,390 2.937,391 2.914,392 -0.6,393 0.003,394 -1,395 -2,396 -0.9,397 1.576,398 3.757,399 -1,400 -2,401 24.353,402 22.869,403 7.899,404 7.899,405 7.899,406 7.899,407 7.899,408 112.78,409 266.944,410 3.997,411 4.144,412 4.329,413 4.587,414 1.384,415 3.362,416 20.653,417 4.943,418 11.95,419 3.091,420 5.143,421 4.03,422 3.755,423 274.742,424 0.348,425 20.711,426 0.972,427 12.267,428 0.568,429 4.457,430 5.111,432 3.058,433 4.3,434 2.736,435 25.291,436 2.499,437 44.104,438 44.104,439 9.299,440 5.497,441 8.36,442 222.69,443 11.5,444 3.704,445 2.59,446 0.64,447 0.395,448 11.629,450 199,451 7.896,452 2.396,453 4.005,454 2.559,455 2.3,456 3.864,457 1.658,458 4.44,459 122.211,460 26,461 26.273,463 0.314,464 0.328,465 1.558,466 3.045,467 3.323,468 11,469 7.187,470 8.987,471 0.8,472 2.609,473 11,474 0.65,475 3.632,476 -1.742,477 1,478 1.795,479 2.66,480 5.407,481 0.108,482 3.281,483 1.832,484 0.547,485 2.942,486 1.013,487 0.064,489 3.536,490 9.595,491 16.052,492 2.55,493 0.164,494 28.134,495 0.107,496 1.719,497 60.691,498 3.332,499 23,500 -2.991,501 3.178,502 4.369,503 5.209,504 10.326,505 3.85,506 -2.991,507 24.899,508 24.202,510 4.828,511 6.34,512 78,513 91,514 2.801,515 0.681,516 4.196,517 0.633,518 25.145,520 2.047,521 2.152,522 10.517,524 3.432,525 3.321,526 -0.568,527 -1.818,528 -0.568,529 -1.818,530 5.319,531 2.387,532 0.789,533 17.219,534 0.183,535 0.183,536 1.11,537 0.1,538 12.084,540 4.498,541 5.35,542 3.139,543 3.776,544 1,545 3.48,546 4.039,547 3.009,548 8.565,549 3.405,550 3.151,551 0.88,552 0.578,555 -0.95,556 1.537,557 3.413,558 2.801,559 1.854,560 1.854,561 1,562 0.62,564 1.932,570 3.182,571 -0.872,572 0.056,576 2,578 2.244,579 29,580 182.005,581 2.687,582 7.348,584 6.529,585 5.503,586 25.599,587 4,589 239.917,590 264.694,591 244,592 2.314,593 1,594 1.67,595 1,596 2.082,597 0.831,598 2.082,599 0.206,600 46.28,601 3.531,602 1.948,603 6.107,604 6.982,605 5.231,606 5.46,607 5.301,608 0.356,609 16.29,612 0.577,613 1.933,614 12,615 1.844,616 4.7,617 18.131,618 1.451,619 0.477,620 2.713,621 2.47,622 2.478,623 1.112,625 2,626 1.418,627 2.011,628 14.593,629 16.763,630 19.254,631 10.53,632 21.567,633 11.717,634 23.998,635 21.15,636 12.824,637 12.654,638 23.022,639 13.991,640 24.901,641 15.128,642 26.787,643 16.289,644 28.677,645 17.9,646 0.707,647 3.364,648 3.86,649 4.083,650 1,651 0.813,652 6,653 3.611,654 5.804,655 0.813,656 2.329,657 1.23,658 0.682,659 9.491,660 1.283,661 5,662 1.135,663 2,664 7.545,665 11.032,666 1890,667 4.33,668 4.55,669 3.725,670 1.194,671 -1.314,672 0.229,673 3.047,674 3.422,675 1.905,676 2.317,677 3.677,678 1.556,679 29.226,680 0.236,682 0.914,683 1.159,684 0.901,685 0.928,686 0.309,687 2.401,688 1.165,689 36.1,690 36.1,691 -1,692 -1,693 0.076,694 0.076,695 17.333,696 3.829,697 3.689,698 4.778,700 4.27,701 7.226,702 0.355,703 2,704 3.135,705 2.708,706 2,707 0.805,708 4.979,709 5.841,710 -0.4,711 -0.4,712 1.52,713 0.734,714 4.027,715 4.027,716 3.374,717 0.118,718 0.293,719 -0.338,720 1,721 1,722 1,723 0.857,724 5.841,725 1.6,726 1.957,727 1.838,728 110.751,729 110.751,730 1.29,731 117.711,732 2.582,733 1.058,734 1.379,735 1.406,736 1.462,737 1.533,738 1.613,739 1.698,740 2.117,741 1.058,742 -1,743 1.134,744 0.066,745 0.043,746 -0.69,748 13.397,749 14.042,750 0.96,751 8,752 3.17,753 0.781,754 13.813,755 0.511,756 3.239,757 9.5,758 3.239,759 1,760 3.004,761 1.601,762 3,763 1.091,764 2.413,765 1.869,766 0.325,767 0.268,768 0.188,769 0.125,770 0.082,771 4.301}
{0 CHEMBL1689597,1 1.696,6 2,7 1,8 4.181,9 0.814,10 0.498,11 1.696,12 -0.007,13 0.1,14 7.7,18 1,27 71.602,28 71.602,29 71.602,30 0.589,31 5.181,32 1.425,33 4.181,34 2.398,35 4.844,36 7.018,40 0.075,41 3.153,42 3,43 0.5,44 1,45 1,46 57.393,47 0.037,48 1,49 1.222,50 0.222,51 5.153,52 3.153,53 0.442,54 0.075,55 0.287,56 2.911,57 0.528,58 12.207,59 0.294,60 1,61 92.737,62 6.73,63 3.193,64 10.969,65 3.193,66 10.969,67 5.193,68 6.73,69 3.193,70 10.969,71 3,72 1,73 0.034,74 -0.058,75 -0.01,76 2,77 9,78 0.185,79 27.058,80 4.017,81 4.04,82 4.059,83 3.943,84 3.946,85 6.192,86 99.947,87 6.849,88 7.257,89 0.231,90 1.164,91 4.629,92 -0.2,93 21.135,94 21.135,95 29.85,96 11.771,97 1.801,98 1.308,99 10.365,100 0.593,101 -0.051,102 3.8,103 0.339,107 1,109 3,114 1.566,115 1.538,117 0.689,118 10.02,119 11.62,120 12.842,121 14.347,122 15.664,123 0.124,124 23.448,125 5.007,126 3.642,127 0.173,128 1.124,129 4.26,130 1.81,131 104.702,132 26.346,133 28.753,134 31.136,135 14.939,136 33.535,137 16.09,138 17.431,139 35.926,140 17.23,141 91.947,142 0.783,143 0.011,144 0.153,145 8.193,146 2.874,147 3.007,148 2.753,149 2.618,150 2.57,151 0.934,152 0.804,153 1.151,154 104.702,155 4.533,156 4.303,157 3.624,158 2.437,159 -0.923,160 2,161 2.289,162 -0.923,163 6.891,164 3.676,165 4.223,166 4.357,167 9.623,168 30.932,169 4.515,170 3.17,171 3.08,172 5.104,173 3.013,174 2.859,175 2.723,176 0.446,177 3.335,178 3.875,179 3.13,180 4.505,181 2.797,182 9.654,183 9.654,184 9.654,185 9.654,186 9.654,187 8.617,188 5.615,189 9.926,190 3.435,191 1.022,192 32.333,193 2.117,194 -0.095,195 -1.029,196 -0.563,197 -1.32,198 -1.611,199 -3.392,200 -1.079,201 -0.415,202 -1.402,203 1.115,204 -0.689,205 -1.679,206 -2.14,207 -5.028,208 -1.654,209 1,210 -2.251,211 -5.761,212 -1.834,213 -0.992,214 -1.859,215 9.75,216 1393,217 3.875,218 284.647,219 2288.3,220 3.796,221 57.364,222 8.453,223 2.833,224 2.833,225 16,226 15,227 5.343,228 3.25,229 21,230 35.944,231 0.003,232 1,233 2.633,234 98.613,235 56.603,236 4.337,237 -1.32,238 -1.679,239 -3.392,240 -5.028,241 -5.761,242 2.117,243 1498,244 2828,245 2.634,246 2.62,247 3.467,248 2.405,249 1.984,250 1.524,251 3.209,252 1.54,253 0.283,254 0.421,255 0.261,256 0.2,257 0.686,258 0.197,259 0.726,260 0.953,261 0.357,262 0.699,264 3.497,265 7.075,266 6.521,267 7.364,268 47.395,269 14.798,270 0.613,271 0.266,272 8.657,273 2.113,274 3.828,275 3.813,276 3.446,277 8.5,278 196.04,279 1.517,280 1.508,281 1,282 2.106,283 16.729,284 5.645,286 3.844,287 3.333,288 1,289 1,290 3.317,291 2.524,292 2.004,293 2.364,294 1.371,295 0.983,296 0.312,297 -0.453,298 -0.819,299 -0.5,300 -0.923,301 -1.887,302 -1.827,303 -0.633,304 1,305 -1.931,306 -2.559,307 -6.265,308 -0.246,309 -0.296,310 3.401,311 11,312 1,313 3.091,314 1,315 15.753,316 21,317 -0.819,318 6.808,319 -1.887,320 -1.931,321 -6.265,322 2.524,323 2.004,324 25.364,325 3.606,326 3.449,327 3.455,328 3.849,329 1.555,330 0.77,331 0.978,332 0.025,333 0.982,334 7.945,335 5.002,336 5.265,337 99.203,338 106.915,339 105.94,343 4.136,350 4.136,351 17.123,352 18.489,353 19.927,354 21.318,355 7.136,356 4.136,357 2.645,358 1,359 5.822,360 1.239,361 0.469,362 1,363 1,364 18.011,365 1.295,366 4.532,367 4.532,368 1.64,369 1.64,370 52.627,371 0.559,372 5.19,373 2.777,374 21.135,375 46.28,376 46.28,377 27,378 3.041,379 104.702,380 4.087,381 1.417,382 3.283,383 71.08,384 0.963,385 5.062,386 1.828,387 0.178,388 0.829,389 4.95,390 2.937,391 2.914,392 -0.6,393 0.007,394 -1,395 -2.135,396 -0.9,397 1.578,398 3.757,399 -1,400 -2.135,401 24.28,402 22.793,403 7.899,404 7.899,405 7.899,406 7.899,407 7.899,408 112.78,409 266.944,410 3.997,411 4.144,412 4.329,413 4.587,414 1.384,415 3.362,416 20.826,417 4.944,418 11.95,419 3.091,420 5.162,421 4.033,422 3.754,423 274.742,424 0.348,425 20.631,426 0.972,427 7.115,428 0.59,429 4.442,430 5.075,432 3.007,433 4.3,434 2.736,435 26.122,436 2.499,437 44.104,438 44.104,439 9.299,440 5.435,441 8.359,442 222.69,443 11.5,444 3.704,445 2.599,446 0.636,447 0.395,448 11.629,450 192,451 7.896,452 2.396,453 4.005,454 2.491,455 2.215,456 3.675,457 1.722,458 4.449,459 122.211,460 26,461 26.273,463 0.335,464 0.342,465 1.554,466 2.987,467 3.334,468 11,469 7.187,470 8.987,471 0.8,472 2.609,473 11,474 0.65,475 3.687,476 -1.741,477 1,478 1.842,479 2.644,480 5.446,481 0.11,482 3.269,483 1.831,484 0.54,485 2.94,486 0.907,487 -0.052,489 3.536,490 9.547,491 16.052,492 2.55,493 0.122,494 28.134,495 0.083,496 1.725,497 60.691,498 3.332,499 23,500 -2.929,501 3.178,502 4.369,503 5.209,504 10.326,505 3.85,506 -2.929,507 24.737,508 24.122,510 4.828,511 6.34,512 78,513 91,514 2.789,515 0.681,516 4.159,517 0.633,518 25.145,520 2.015,521 2.152,522 10.799,524 3.432,525 3.321,526 -0.366,527 -2,528 -0.366,529 -2,530 5.319,531 2.387,532 0.816,533 17.219,534 -0.148,535 -0.148,536 1.11,537 -0.078,538 12.084,540 4.505,541 5.348,542 3.139,543 3.776,545 3.48,546 4.039,547 3.009,548 8.565,549 3.405,550 3.15,551 0.879,552 0.578,555 -0.97,556 1.536,557 3.413,558 2.78,559 1.814,560 1.814,561 1,562 0.62,563 2,564 1.921,570 3.219,571 -0.793,572 0.118,576 2,578 2.107,579 30,580 182.005,581 2.683,582 7.348,584 6.519,585 5.502,586 25.61,587 4,589 239.917,590 264.694,591 244,592 2.304,593 1,594 1.663,595 1,596 2.165,597 0.853,598 2.165,599 0.206,600 46.28,601 3.548,602 1.948,603 6.107,604 6.98,605 5.231,606 5.46,607 5.278,608 0.356,609 9.355,612 0.632,613 2.149,614 12,615 1.817,616 4.7,617 18.131,618 1.576,619 0.482,620 2.712,621 2.515,622 2.502,623 1.172,625 1,626 1.418,627 2.011,628 14.588,629 16.755,630 19.243,631 10.529,632 21.554,633 11.715,634 23.982,635 21.148,636 12.82,637 12.651,638 23.019,639 13.986,640 24.898,641 15.122,642 26.782,643 16.282,644 28.671,645 17.928,646 0.707,647 3.364,648 3.86,649 4.084,650 1,651 0.858,652 6,653 3.611,654 5.804,655 0.858,656 2.095,657 1.23,658 0.683,659 9.491,660 1.283,661 6,662 1.197,663 2,664 7.545,665 11.032,666 1890,667 4.383,668 4.617,669 3.606,670 1.166,671 -1.404,672 0.229,673 3.047,674 3.422,675 1.785,676 2.169,677 3.685,678 1.546,679 29.226,680 0.13,682 0.913,683 1.169,684 0.864,685 0.928,686 0.309,687 2.378,688 2.014,689 36.1,690 36.1,691 -1,692 -1,693 -0.059,694 -0.059,695 17.333,696 3.829,697 3.738,698 4.778,700 4.27,701 7.226,702 0.391,703 2,704 3.091,705 2.485,706 2,707 0.805,708 4.918,709 5.491,710 -0.4,711 -0.4,712 1.103,713 0.615,714 4.027,715 4.027,716 3.323,717 0.118,718 0.293,719 -0.338,720 1,721 1,722 1,723 0.857,724 5.491,725 1.601,726 1.958,727 1.846,728 110.751,729 110.751,730 1.29,731 117.711,732 2.634,733 1.058,734 1.379,735 1.406,736 1.462,737 1.533,738 1.613,739 1.698,740 2.117,741 1.058,742 -1,743 1.183,744 0.066,745 0.043,746 -0.748,748 13.273,749 11.749,750 1.157,751 8,752 3.17,753 0.781,754 13.81,755 0.511,756 3.278,757 9.5,758 3.278,759 1,760 3.004,761 1.585,762 3,763 1.14,764 2.492,765 1.869,766 0.325,767 0.268,768 0.188,769 0.125,770 0.082,771 4.301}
{0 CHEMBL1689598,1 1.696,6 2,8 4.214,9 0.816,10 0.519,11 1.696,12 -0.007,13 0.078,14 7.7,18 1,27 71.602,28 71.602,29 71.602,30 0.588,31 5.214,32 1.429,33 4.214,34 2.398,35 4.844,36 7.034,40 0.072,41 3.165,42 3,43 0.5,44 1,45 1,46 57.393,47 0.037,48 1,49 1.222,50 0.222,51 5.165,52 3.165,53 0.443,54 0.075,55 0.287,56 2.848,57 0.65,58 12.241,59 0.2,60 1,61 92.737,62 6.824,63 3.235,64 11.277,65 3.235,66 11.277,67 5.235,68 6.824,69 3.235,70 11.277,71 2,72 3,73 0.033,74 -0.058,75 -0.01,76 2,77 9,78 0.126,79 27.058,80 4.018,81 4.04,82 4.073,83 3.944,84 3.948,85 6.169,86 99.947,87 6.742,88 7.113,89 0.222,90 1.164,91 4.654,92 -0.2,93 21.135,94 21.135,95 29.85,96 11.771,97 1.789,98 1.308,99 10.365,100 0.593,101 -0.051,102 3.8,103 0.339,107 1,109 3,114 1.565,115 1.536,117 0.926,118 10.112,119 11.711,120 12.969,121 14.478,122 15.824,123 0.087,124 23.384,125 4.996,126 3.567,127 0.194,128 1.124,129 4.27,130 1.811,131 104.702,132 26.66,133 29.093,134 31.502,135 14.991,136 33.928,137 16.146,138 17.628,139 36.345,140 17.29,141 91.947,142 0.783,143 0.011,144 0.139,145 8.198,146 2.874,147 3.005,148 2.616,149 2.618,150 2.57,151 0.934,152 0.804,153 1.175,154 104.702,155 4.539,156 4.311,157 3.633,158 2.414,159 -1.022,160 2,161 2.296,162 -1.022,163 6.921,164 3.676,165 4.245,166 4.357,167 9.646,168 31.038,169 4.516,170 3.221,171 3.058,172 5.216,173 3.002,174 2.837,175 2.685,176 0.444,177 3.3,178 3.878,179 3.179,180 4.51,181 2.797,182 9.707,183 9.707,184 9.707,185 9.707,186 9.707,187 8.642,188 5.641,189 9.951,190 3.435,191 0.969,192 32.333,193 2.068,194 -0.098,195 -1.03,196 -0.601,197 -1.371,198 -1.802,199 -3.447,200 -1.13,201 -0.413,202 -1.399,203 1.113,204 -0.692,205 -1.677,206 -2.155,207 -5.106,208 -1.651,209 1.088,210 -2.19,211 -5.862,212 -1.833,213 -0.992,214 -1.859,215 9.75,216 1357,217 3.878,218 276.023,219 2240.35,220 3.796,221 57.037,222 8.116,223 2.833,224 2.833,225 16,226 15,227 5.343,228 3.278,229 22,230 35.944,231 0.003,232 1,233 2.612,234 99.454,235 54.603,236 4.337,237 -1.371,238 -1.677,239 -3.447,240 -5.106,241 -5.862,242 2.068,243 1465,244 2735,245 2.647,246 2.594,247 3.467,248 2.425,249 2.004,250 1.605,251 3.217,252 1.604,253 0.286,254 0.426,255 0.263,256 0.202,257 0.705,258 0.198,259 0.729,260 0.906,261 0.356,262 0.686,264 3.497,265 7.092,266 6.558,267 7.381,268 47.496,269 14.698,270 0.609,271 0.267,272 8.542,273 2.11,274 3.83,275 3.811,276 3.445,277 8.5,278 196.04,279 1.52,280 1.512,281 1,282 2.397,283 16.538,284 5.614,286 3.844,287 3.302,288 1,289 1,290 3.252,291 2.402,292 1.976,293 2.424,294 1.483,295 0.939,296 0.169,297 -0.534,298 -0.81,299 -0.5,300 -0.921,301 -1.884,302 -1.826,303 -0.633,304 1,305 -1.93,306 -2.558,307 -6.254,308 -0.42,309 -0.588,310 3.434,311 11,312 1,313 3.091,314 0.75,315 15.753,316 21,317 -0.81,318 6.834,319 -1.884,320 -1.93,321 -6.254,322 2.402,323 1.976,324 25.683,325 3.604,326 3.442,327 3.449,328 3.973,329 1.555,330 0.758,331 0.959,332 0.046,333 0.941,334 7.97,335 5.146,336 5.505,337 99.203,338 110.358,339 105.94,343 4.199,350 4.199,351 17.293,352 18.682,353 20.132,354 21.543,355 7.199,356 4.199,357 2.625,358 1,359 5.813,360 1.239,361 0.469,362 1,363 1,364 18.011,365 1.294,366 4.573,367 4.573,368 1.408,369 1.408,370 52.161,371 0.556,372 5.211,373 2.563,374 21.135,375 46.28,376 46.28,377 27,378 3.192,379 104.702,380 4.03,381 1.417,382 3.283,383 71.723,384 0.971,385 5.094,386 1.828,387 0.175,388 0.914,389 4.956,390 2.937,391 2.914,392 -0.6,393 -0.033,394 -1,395 -2.024,396 -0.9,397 1.565,398 3.757,399 -1,400 -2.024,401 24.317,402 22.872,403 7.883,404 7.883,405 7.883,406 7.883,407 7.883,408 112.78,409 266.944,410 3.998,411 4.144,412 4.327,413 4.587,414 1.391,415 3.357,416 28.736,417 4.941,418 11.668,419 3.093,420 5.189,421 4.033,422 3.755,423 274.742,424 0.325,425 21.318,426 0.972,427 12.267,428 0.546,429 4.483,430 4.949,432 3.058,433 4.3,434 2.736,435 26.504,436 2.511,437 44.104,438 44.104,439 9.299,440 5.535,441 8.312,442 222.69,443 11.5,444 3.707,445 2.392,446 0.645,447 0.395,448 11.654,450 191,451 7.896,452 2.396,453 4.005,454 2.559,455 2.3,456 3.864,457 1.658,458 4.44,459 122.211,460 26,461 26.273,463 0.3,464 0.307,465 1.379,466 3.045,467 3.323,468 11,469 7.236,470 9.035,471 0.8,472 2.609,473 11,474 0.65,475 3.674,476 -1.739,477 1,478 1.957,479 2.665,480 5.396,481 0.108,482 3.325,483 1.83,484 0.541,485 2.955,486 1.014,487 0.067,489 3.536,490 9.668,491 16.052,492 2.55,493 0.164,494 27.318,495 0.11,496 1.787,497 60.691,498 3.347,499 23,500 -2.903,501 3.178,502 4.369,503 5.22,504 10.326,505 3.85,506 -2.903,507 24.834,508 24.196,510 4.828,511 6.351,512 78,513 92,514 2.829,515 0.681,516 4.196,517 0.633,518 25.145,520 2.047,521 2.152,522 11.334,524 3.432,525 3.321,526 -0.426,527 -2,528 -0.426,529 -2,530 5.326,531 2.489,532 0.799,533 17.219,534 0.196,535 0.196,536 1.11,537 0.105,538 12.006,540 4.475,541 5.394,542 3.129,543 3.776,545 3.48,546 4.039,547 3.009,548 8.565,549 3.406,550 3.142,551 0.879,552 0.578,555 -1,556 1.538,557 3.42,558 2.768,559 1.796,560 1.796,561 1,562 0.62,563 1,564 1.912,570 3.145,571 -0.85,572 0.056,576 2,578 2.198,579 29,580 182.005,581 2.658,582 7.348,584 6.532,585 5.506,586 25.793,587 3.5,589 239.917,590 264.557,591 244,592 2.14,593 1,594 1.689,595 1,596 2.507,597 0.819,598 2.507,599 0.206,600 46.28,601 3.612,602 1.815,603 6.12,604 7.004,605 5.242,606 5.476,607 5.289,608 0.356,609 16.29,612 0.441,613 1.966,614 12,615 1.62,616 4.645,617 18.131,618 1.576,619 0.484,620 2.711,621 2.457,622 2.448,623 1.176,625 3,626 1.418,627 2.011,628 14.772,629 16.974,630 19.483,631 10.647,632 21.819,633 11.841,634 24.272,635 21.341,636 12.965,637 12.697,638 23.227,639 14.142,640 25.119,641 15.293,642 27.015,643 16.465,644 28.916,645 18.519,646 0.707,647 3.364,648 3.86,649 4.093,650 1,651 1.02,652 6,653 3.611,654 5.826,655 1.02,656 2.329,657 1.23,658 0.698,659 9.491,660 1.283,661 4,662 1.299,663 2,664 7.56,665 11.066,666 1888,667 4.442,668 4.736,669 3.699,670 1.225,671 -1.211,672 0.23,673 3.047,674 3.519,675 1.95,676 2.45,677 3.633,678 1.552,679 29.226,680 0.195,682 0.911,683 1.191,684 0.895,685 0.929,686 0.31,687 2.395,688 1.165,689 36.1,690 36.1,691 -1,692 -1,693 0.081,694 0.081,695 17.333,696 3.784,697 3.689,698 4.791,700 4.27,701 7.247,702 0.271,703 2,704 3.135,705 2.485,706 2,707 0.805,708 4.966,709 5.283,710 -0.4,711 -0.4,712 1.27,713 0.734,714 4.027,715 4.027,716 3.374,717 0.118,718 0.293,719 -0.346,720 1,721 1,722 1,723 0.857,724 5.283,725 1.612,726 1.962,727 1.838,728 110.751,729 110.751,730 1.292,731 117.711,732 2.542,733 1.058,734 1.379,735 1.406,736 1.462,737 1.533,738 1.613,739 1.698,740 2.117,741 1.058,742 -1.069,743 1.259,744 0.066,745 0.044,746 -0.765,748 13.559,749 12.033,750 1.355,751 8,752 3.17,753 0.781,754 13.858,755 0.494,756 3.288,757 9.5,758 3.288,759 1,760 3.004,761 1.605,762 4,763 1.25,764 2.499,765 1.869,766 0.325,767 0.268,768 0.188,769 0.125,770 0.082,771 4.301}
{0 CHEMBL1689599,1 1.468,6 4,8 4.286,9 0.844,10 0.554,11 1.468,12 -0.009,13 0.046,14 6.9,18 1,27 85.974,28 85.974,29 85.974,30 0.587,31 5.286,32 1.478,33 4.286,34 2.398,35 4.949,36 7.195,40 0.086,41 3.239,42 3,43 0.5,44 1,45 1,46 78.39,47 0.033,48 1,49 1.222,50 0.222,51 5.239,52 3.239,53 0.444,54 0.074,55 0.396,56 2.841,57 0.588,58 12.654,59 0.277,60 1,61 92.223,62 6.971,63 3.307,64 11.738,65 3.307,66 11.738,67 5.307,68 6.971,69 3.307,70 11.738,73 0.032,74 0.018,75 -0.061,76 5,77 13,78 0.028,79 12.172,80 4.026,81 4.053,82 3.988,83 3.942,84 3.949,85 6.255,86 100.352,87 6.624,88 6.624,89 0.469,90 1.824,91 4.929,92 -0.781,93 6.249,94 6.249,95 29.85,96 11.771,97 1.866,98 1.366,99 10.089,100 0.786,101 -0.152,102 3.4,103 0.286,107 1,109 3,114 1.654,115 1.655,117 0.961,118 9.988,119 11.603,120 12.84,121 14.356,122 15.689,123 0.045,124 23.336,125 4.977,126 3.534,127 0.025,128 1.127,129 4.048,130 1.825,131 116.617,132 27.089,133 29.563,134 32.016,135 15.285,136 34.482,137 16.462,138 17.945,139 36.942,140 17.631,141 87.988,142 0.997,143 0.065,144 0.274,145 8.331,146 2.874,147 3.009,148 2.601,149 2.649,150 2.624,151 0.934,152 0.804,153 1.239,154 118.617,155 4.785,156 4.527,157 3.86,158 2.395,159 -1.137,160 2,161 2.267,162 -1.137,163 8.1,164 3.651,165 4.245,166 4.331,167 9.624,168 30.965,169 4.54,170 3.313,171 3.23,172 5.191,173 3.133,174 3.037,175 2.862,176 0.59,177 3.99,178 5.842,179 3.657,180 5.391,181 2.798,182 9.759,183 9.759,184 9.759,185 9.759,186 9.759,187 8.796,188 5.686,189 9.945,190 3.435,191 0.898,192 32,193 2.129,194 -0.161,195 -0.973,196 -0.393,197 -1.364,198 -1.679,199 -3.62,200 -1.323,201 -0.471,202 -1.479,203 1.178,204 -0.757,205 -1.72,206 -2.139,207 -5.174,208 -1.665,209 1.101,210 -2.176,211 -5.482,212 -1.832,213 -0.983,214 -1.862,215 9.75,216 1337,217 3.877,218 271.946,219 2210.12,220 3.796,221 56.812,222 7.938,223 2.833,224 2.833,225 16,226 15,227 6.233,228 3.306,229 23,230 33.667,231 0.004,232 1,233 2.601,234 100.041,235 56.603,236 4.337,237 -1.364,238 -1.72,239 -3.62,240 -5.174,241 -5.482,242 2.129,243 1446,244 2343,245 2.799,246 2.614,247 3.467,248 2.445,249 2.533,250 2.277,251 3.232,252 2.298,253 0.288,254 0.436,255 0.268,256 0.207,257 0.734,258 0.202,259 0.743,260 0.992,261 0.633,262 0.927,263 0.347,264 3.497,265 7.109,266 6.828,267 7.109,268 44.635,269 14.651,270 0.722,271 0.272,272 8.435,273 2.612,274 4.033,275 4.074,276 3.672,277 8.5,278 198.13,279 1.527,280 1.521,282 3.037,283 10.725,284 5.581,286 3.46,287 3.293,288 1,289 1,290 3.435,291 2.575,292 1.97,293 2.37,294 1.846,295 0.898,296 -0.18,297 -0.556,298 -0.823,299 -0.5,300 -0.889,301 -1.873,302 -1.827,303 -0.667,304 1,305 -1.928,306 -2.553,307 -7.04,308 -0.473,309 -0.398,310 3.466,311 12,312 1,313 3.091,314 0.75,315 12.252,316 21,317 -0.823,318 6.86,319 -1.873,320 -1.928,321 -7.04,322 2.575,323 1.97,324 25.569,325 3.601,326 3.435,327 3.443,328 3.792,329 1.573,330 0.81,331 1.105,332 0.173,333 1.035,334 7.989,335 5.348,336 5.348,337 84.044,338 100.321,339 153.024,343 4.16,350 4.16,351 17.158,352 18.537,353 19.985,354 21.387,355 7.16,356 4.16,357 2.615,358 1,359 7.086,360 1.339,361 0.497,365 1.377,366 4.604,367 4.604,368 1.354,369 1.354,370 52.214,371 0.561,372 5.206,373 2.477,374 6.249,375 31.394,376 31.394,377 30,378 2.92,379 118.617,380 3.888,381 1.417,382 3.306,383 72.467,384 1.14,385 5.183,386 1.845,387 0.169,388 0.901,389 4.867,390 2.972,391 2.942,392 -0.6,393 0.01,394 -1,395 -2.018,396 -0.9,397 1.471,398 3.795,399 -1,400 -2.018,401 24.434,402 23.643,403 7.863,404 7.863,405 7.863,406 7.863,407 7.863,408 114.04,409 270.017,410 4.079,411 4.244,412 4.505,413 5.594,414 1.579,415 3.416,416 22.111,417 4.771,418 12.434,419 3.033,420 5.3,421 4.348,422 3.969,423 282.163,424 0.682,425 19.529,426 0.957,427 9.066,428 0.822,429 4.529,430 5.05,432 4.853,433 6.285,434 3.569,435 30.446,436 2.542,437 42.559,438 42.559,439 9.189,440 5.473,441 8.123,442 202.28,443 11,444 4.266,445 2.361,446 0.625,447 0.393,448 11.929,450 196,451 7.744,452 2.244,453 4.235,454 2.731,455 2.422,456 3.85,457 1.646,458 6.287,459 140.881,460 29,461 28.833,462 0.402,463 0.694,464 0.708,465 1.36,466 3.559,467 3.997,468 14,469 7.119,470 8.946,471 0.8,472 2.428,473 11,474 0.65,475 4.485,476 -1.74,477 1,478 1.901,479 2.99,480 5.344,481 0.107,482 3.421,483 1.851,484 0.715,485 3.109,486 1.307,487 0.283,489 3.034,490 9.381,491 16.267,492 2.55,493 0.082,494 27.524,495 0.061,496 1.782,497 60.783,498 3.409,499 23,500 -2.558,501 3.178,502 4.369,503 5.231,504 10.547,505 3.85,506 -2.558,507 25.163,508 24.337,510 4.828,511 6.361,512 78,513 93,514 2.914,515 0.702,516 4.344,517 0.633,518 25.145,520 2.127,521 2.523,522 12.559,524 3.309,525 3.345,526 -0.461,527 -2,528 -0.461,529 -2,530 5.39,531 2.478,532 0.929,533 17.918,534 0.655,535 0.655,536 1.119,537 0.399,538 10.337,540 4.384,541 5.424,542 3.18,543 3.61,545 3.58,546 4.182,547 3.189,548 6.975,549 3.483,550 3.194,551 0.895,552 0.664,555 -1,556 1.539,557 3.479,558 2.802,559 1.86,560 1.86,562 0.613,564 2.068,570 2.989,571 -0.8,572 0.056,576 3,578 2.317,579 29,580 189.94,581 2.668,582 7.133,584 6.539,585 5.526,586 25.83,587 3,589 217.026,590 212.936,591 198,592 1.995,593 1,594 1.743,595 1,596 2.274,597 0.889,598 2.274,599 0.202,600 31.394,601 3.638,602 1.602,603 6.133,604 7.027,605 5.252,606 5.493,607 5.263,608 0.482,609 14.265,612 0.615,613 1.966,614 12,615 1.58,616 5.158,617 19.034,618 1.986,619 0.631,620 2.875,621 2.618,622 2.57,623 1.407,625 1,626 0.96,627 0.921,628 14.967,629 17.223,630 19.772,631 10.801,632 22.159,633 12.018,634 24.653,635 21.536,636 13.176,637 12.942,638 23.444,639 14.377,640 25.358,641 15.558,642 27.278,643 16.755,644 29.202,645 18.942,646 0.592,647 3.449,648 3.968,649 4.26,650 1,651 0.917,652 6,653 3.611,654 5.935,655 0.917,656 1.709,657 1.294,658 0.939,659 11.728,660 1.283,661 5,662 1.268,663 2,664 7.524,665 11.048,666 1840,667 4.476,668 4.476,669 3.689,670 1.272,671 -1.345,672 0.237,673 2.971,674 3.363,675 2.166,676 2.168,677 3.494,678 1.573,679 32.697,680 0.157,682 1.066,683 1.308,684 0.728,685 0.913,686 0.304,687 2.436,688 0.634,689 25.24,690 25.24,691 -1,692 -1,693 0.28,694 0.28,695 13.833,696 3.761,697 3.584,698 4.778,700 4.159,701 7.354,702 0.364,703 2,704 3.045,705 2.565,706 3,707 0.797,708 5.539,709 6.608,710 -0.4,711 -0.4,712 1.52,713 0.368,714 4.021,715 4.09,716 3.507,717 0.18,718 0.345,719 -0.294,720 1,721 1,722 2,723 0.842,724 6.608,725 1.614,726 1.998,727 3.577,728 85.974,729 85.974,730 1.289,731 164.795,732 2.51,733 1.2,734 1.608,735 1.786,736 2.015,737 2.275,738 2.556,739 2.853,740 2.293,741 1.2,742 -1.034,743 1.297,744 0.075,745 0.042,746 -0.802,748 9.857,749 14.364,750 1.043,751 8,752 3.17,753 0.673,754 14.124,755 0.477,756 3.065,757 9.5,758 3.065,759 1,760 3.39,761 1.598,762 5,763 1.403,764 2.499,765 1.871,766 0.57,767 0.801,768 1.074,769 1.404,770 1.768,771 4.301}
{0 CHEMBL1689600,1 1.497,6 1,7 6,8 4.162,9 0.822,10 0.564,11 1.497,12 0.143,13 0.033,14 3.1,18 1,27 143.265,28 111.045,29 110.146,30 0.566,31 5.268,32 1.425,33 4.162,34 2.398,35 4.844,36 7.018,40 0.056,41 3.137,42 4,43 0.667,44 1,45 1,46 93.128,47 0.088,48 1,49 1.133,50 0.133,51 5.137,52 3.137,53 0.445,54 0.082,55 0.45,56 2.934,57 1.957,58 15.609,59 0.672,60 1,61 129.056,62 6.717,63 3.172,64 10.905,65 3.172,66 10.905,67 5.172,68 6.717,69 3.172,70 10.905,71 3,72 2,73 0.017,74 -0.036,75 0.063,76 1,77 11,78 0.093,79 26.752,80 4.011,81 4.034,82 4.051,83 3.951,84 3.944,85 7.708,86 115.861,87 8.02,88 8.486,89 0.241,90 1.992,91 4.881,92 -0.353,93 18.011,94 18.011,95 29.85,96 11.771,97 1.953,98 1.388,99 12.215,100 1.171,101 0.087,102 3.1,103 0.278,104 1,105 2,106 2,107 1,109 3,114 1.669,115 1.651,117 1.222,118 10.01,119 11.72,120 12.814,121 14.379,122 15.608,123 0.035,124 27.977,125 5.138,126 3.724,127 -0.012,128 1.097,129 4.159,130 1.987,131 140.39,132 26.284,133 28.683,134 31.061,135 14.908,136 33.454,137 16.051,138 17.348,139 35.839,140 17.177,141 96.251,142 0.553,143 0.056,144 0.485,145 11.069,146 2.957,147 3.022,148 2.835,149 2.809,150 2.808,151 0.983,152 0.925,153 1.179,154 150,155 6.17,156 5.914,157 4.923,158 3.247,159 2.136,160 1,161 2.954,162 2.136,163 8.346,164 3.951,165 4.505,166 4.635,167 9.74,168 41.61,169 4.686,170 3.414,171 3.362,172 5.037,173 3.18,174 3.183,175 3.041,176 0.537,177 4.766,178 5.101,179 3.744,180 4.812,181 3.01,182 13.19,183 13.19,184 13.19,185 13.19,186 13.19,187 11.374,188 8.071,189 13.401,190 3.695,191 1.175,192 39.5,193 2.18,194 0.671,195 -0.274,196 0.2,197 -0.782,198 -1.052,199 -1.801,200 -0.757,201 0.501,202 -0.624,203 1.935,204 0.019,205 -1,206 -1.245,207 -2.331,208 -0.918,209 1.577,210 -1.484,211 -2.347,212 -1,213 -0.062,214 -1.014,215 11.25,216 3614,217 4.223,218 551.833,219 5532.21,220 4.207,221 83.222,222 13.119,223 3.091,224 3.091,225 21,226 19,227 5.667,228 4.25,229 26,230 41.167,231 0.001,232 3,233 3.298,234 135.54,235 74.711,236 4.595,237 -0.782,238 -1,239 -1.801,240 -2.331,241 -2.347,242 2.18,243 3458,244 5695,245 2.854,246 2.711,247 3.674,248 2.573,249 2.6,250 2.411,251 3.479,252 2.44,253 0.215,254 0.32,255 0.198,256 0.151,257 0.519,258 0.149,259 0.821,260 1.062,261 0.726,262 1.064,263 0.548,264 3.761,265 9.343,266 8.739,267 9.843,268 62.046,269 19.237,270 0.783,271 0.27,272 5.07,273 2.613,274 3.983,275 3.811,276 3.696,277 9.167,278 243.66,279 1.464,280 1.466,282 3.567,283 15.556,284 5.773,285 6,286 3.621,287 3.637,288 1,289 1,290 3.646,291 3.032,292 2.1,293 2.839,294 2.62,295 2.5,296 1.382,297 1.5,298 0.663,299 0.5,301 -1,302 -1,303 0.318,304 1.555,305 -1,306 -1.5,307 -2.471,308 -0.253,309 -0.289,310 3.638,311 16,312 1,313 3.401,314 0.833,315 12.313,316 29,317 0.663,318 6.907,319 -1,320 -1,321 -2.471,322 3.032,323 2.1,324 34.854,325 3.895,326 3.845,327 3.833,328 3.88,329 1.857,330 0.886,331 1.181,332 0.218,333 1.107,334 8.106,335 6.798,336 7.373,337 121.21,338 134.861,339 161.702,343 4.091,350 4.091,351 17.096,352 18.401,353 19.849,354 21.198,355 7.091,356 4.091,357 2.819,358 1,359 7.916,360 1.342,361 0.554,362 1,363 1,364 18.011,365 1.513,366 4.509,367 4.509,368 1.549,369 1.549,370 73.166,371 0.547,372 5.291,373 2.981,374 18.91,375 43.156,376 43.156,377 34,378 3.297,379 150,380 5.186,381 1.388,382 3.555,383 84.473,384 1.179,385 6.461,386 1.967,387 0.185,388 1.358,389 7.158,390 3.289,391 3.217,392 0.817,393 0.924,394 -0.023,395 -0.054,396 -0.021,397 2.316,398 3.996,399 -0.023,400 -0.054,401 30.738,402 29.924,403 10.399,404 10.399,405 10.399,406 10.399,407 10.399,408 140.57,409 334.751,410 4.225,411 4.398,412 4.417,413 6.256,414 1.813,415 3.484,416 21.116,417 4.787,418 14.333,419 4.207,420 5.219,421 4.004,422 3.884,423 327.674,424 0.887,425 23.484,426 1.022,427 8.267,428 0.748,429 4.023,430 4.85,432 4.483,433 5.685,434 3.51,435 20.419,436 2.687,437 47.894,438 47.894,439 11.114,440 6.161,441 10.708,442 267.37,443 13.433,444 3.913,445 2.512,446 0.634,447 0.261,448 11.881,449 0.043,450 423,451 7.667,452 2.167,453 4.183,454 3.131,455 3.043,456 4.914,457 3.035,458 6.784,459 160,460 32,461 31.807,462 0.586,463 0.768,464 0.824,465 1.488,466 3.762,467 3.953,468 13,469 7.166,470 9.156,471 1.058,472 3.493,473 13.079,474 0.592,475 6.315,476 -0.849,477 1,478 2.359,479 3.575,480 5.463,481 0.12,482 3.6,483 1.954,484 0.749,485 3.208,486 2.098,487 1.049,489 3.008,490 12.055,491 18.633,492 2.345,493 0.243,494 38.665,495 -0.033,496 2.92,497 79.698,498 3.576,499 28,500 -1.034,501 3.367,502 4.595,503 5.434,504 13.51,505 4.043,506 -1.034,507 31.203,508 30.776,510 5.043,511 6.529,512 98,513 114,514 3.071,515 0.649,516 4.764,517 0.816,518 25.145,519 1,520 3.116,521 2.851,522 16.908,523 1,524 3.593,525 3.656,526 1,527 1.591,528 1,529 1.591,530 5.507,531 3.906,532 1.036,533 22.084,534 2.738,535 2.738,536 1.162,537 1.594,538 9.452,539 7,540 4.739,541 5.331,542 3.441,543 5.433,545 3.655,546 4.144,547 3.252,548 8.355,549 3.506,550 3.394,551 1.097,552 0.641,553 1,554 0.875,555 0.828,556 1.598,557 3.709,558 2.715,559 1.75,560 1.75,561 1,562 0.585,563 2,564 2.178,570 3.128,571 0.527,572 0.191,576 1,578 2.536,579 55,580 166.398,581 3.847,582 9.567,583 0.016,584 7.166,585 7.006,586 31.367,587 2.5,589 258.929,590 279.263,591 262,592 3.156,593 0.83,594 1.678,595 1,596 2.938,597 1.072,598 2.938,599 0.221,600 43.156,601 3.614,602 2.624,603 6.293,604 7.151,605 5.38,606 5.58,607 5.488,608 -0.156,609 17.233,612 0.285,613 2.445,614 14,615 2.141,616 6.469,617 23.676,618 1.451,619 0.65,620 2.925,621 2.735,622 2.715,623 1.187,625 5,626 2.812,627 7.909,628 14.566,629 16.732,630 19.202,631 10.491,632 21.509,633 11.697,634 23.926,635 21.143,636 12.771,637 12.646,638 23.01,639 13.939,640 24.884,641 15.056,642 26.765,643 16.211,644 28.65,645 17.798,646 0.558,647 3.561,648 4.027,649 4.208,650 1,651 1.354,652 5,653 3.434,654 5.85,655 1.354,656 2.976,657 1.5,658 1.013,659 12.347,660 1.408,661 13,662 1.97,663 2,664 9.357,665 11.127,666 5539,667 5.784,668 6.498,669 4.514,670 0.631,671 -0.603,672 0.203,673 3.3,674 3.643,675 1.806,676 1.869,677 3.861,678 1.486,679 35.119,680 1.581,681 8,682 1.136,683 1.196,684 0.901,685 1.023,686 0.341,687 2.62,688 2.943,689 32.86,690 58.16,691 -0.447,692 -0.447,693 1.199,694 1.199,695 50.137,696 3.989,697 4.043,698 5.027,700 4.182,701 7.359,702 1.319,703 2.632,704 3.912,705 3.951,707 0.869,708 5.338,709 6.676,712 1.404,713 0.987,714 4.387,715 4.688,716 4.037,717 -0.185,718 -0.154,719 -0.125,723 0.938,724 6.676,725 1.494,726 2.028,728 143.265,729 143.265,730 1.434,731 141.253,732 3.103,733 3.272,734 5.45,735 7.808,736 10.177,737 12.548,738 14.919,739 17.29,740 6.545,741 3.272,742 -0.028,743 2,744 0.156,745 0.061,746 0.596,747 0.005,748 11.007,749 12.936,750 1.748,751 14,752 3.907,753 1.122,754 13.799,755 0.329,756 3.445,757 15.5,758 3.445,759 1,760 3.503,761 1.66,762 11,763 1.278,764 2.668,765 1.888,771 4.301}
{0 CHEMBL1689601,1 1.453,6 3,7 4,8 4.148,9 0.929,10 0.621,11 1.453,12 0.133,13 0.016,14 6.7,18 1,27 104.993,28 104.993,29 95.946,30 0.57,31 5.171,32 1.44,33 4.148,34 2.398,35 4.844,36 7.018,40 0.053,41 3.094,42 4,43 0.667,44 1,45 1,46 94.334,47 0.063,48 1,49 1.133,50 0.133,51 5.094,52 3.094,53 0.442,54 0.08,55 0.487,56 2.99,57 1.97,58 16.726,59 1.328,60 1,61 138.564,62 6.717,63 3.173,64 10.906,65 3.173,66 10.906,67 5.173,68 6.717,69 3.173,70 10.906,71 4,72 3,73 0.018,74 -0.127,75 0.07,76 3,77 9,78 -0.097,80 4.128,81 4.158,82 4.094,83 4.04,84 4.049,85 6.88,86 105.068,87 7.667,88 7.667,89 0.218,90 2.058,91 3.866,92 0.32,93 33.571,94 33.571,95 63.502,96 2.144,97 1.684,98 1.353,99 10.903,100 0.865,101 0.09,102 3.3,103 0.271,104 4,105 4,106 2,108 1,109 1,110 1,111 1,112 1,113 4.355,114 1.739,115 1.708,116 9.866,117 1.089,118 10.705,119 12.416,120 13.743,121 15.339,122 16.772,123 0.081,124 25.785,125 5.114,126 3.707,127 -0.14,128 1.109,129 4.396,130 2,131 129.597,132 26.286,133 28.685,134 31.063,135 14.726,136 33.456,137 15.858,138 17.353,139 35.841,140 16.969,141 85.458,142 0.599,143 0.009,144 0.465,145 10.19,146 2.889,147 2.949,148 2.77,149 2.773,150 2.765,151 0.906,152 0.856,153 1.065,154 139.207,155 5.684,156 5.569,157 4.644,158 3.247,159 2.136,160 2,161 2.787,162 2.136,163 6.291,164 4.039,165 4.699,166 4.723,167 9.826,168 42.608,169 4.717,170 3.265,171 3.149,172 5.025,173 3.077,174 3.106,175 3.041,176 0.497,177 3.563,178 4.534,179 3.433,180 4.288,181 2.961,182 12.483,183 12.483,184 12.483,185 12.483,186 12.483,187 10.416,188 7.584,189 12.636,190 3.644,191 1.037,192 38,193 2.164,194 0.608,195 -0.843,196 0.087,197 -0.899,198 -1.355,199 -2.175,200 -0.885,201 0.5,202 -0.902,203 1.785,205 -1,206 -1.409,207 -2.347,208 -0.948,209 1.555,210 -1.5,211 -2.446,212 -1.305,213 -0.429,214 -1.35,215 11.25,216 2967,217 4.144,218 470.93,219 4439.1,220 4.128,221 76.21,222 11.333,223 3.045,224 3.045,225 20,226 18,227 5.233,228 4,229 25,230 39.833,231 0.001,232 2,233 3.161,234 128.313,235 71.059,236 4.585,237 -0.899,238 -1,239 -2.175,240 -2.347,241 -2.446,242 2.164,243 2852,244 4667,245 2.854,246 2.612,247 3.674,248 2.448,249 2.599,250 2.308,251 3.39,252 2.341,253 0.231,254 0.336,255 0.207,256 0.159,257 0.545,258 0.155,259 0.821,260 1.062,261 0.7,262 1.048,263 0.456,264 3.714,265 8.843,266 8.647,267 8.843,268 54.5,269 18.092,270 0.779,271 0.315,272 4.819,273 2.632,274 3.919,275 3.765,276 3.745,277 8.667,278 207.95,279 1.485,280 1.483,281 2,282 3.651,283 16.691,284 6.525,285 5,286 3.502,287 3.374,290 3.588,291 3.022,292 2.181,293 2.83,294 2.533,295 2.5,296 1,297 1.444,298 0.384,299 0.402,300 -0.053,301 -1,302 -1,303 -0.131,304 1.267,305 -1.395,306 -1.839,307 -3.962,308 0.029,309 -0.053,310 3.611,311 15,313 3.401,314 1,315 42.086,316 29,317 0.384,318 6.887,319 -1,320 -1.395,321 -3.962,322 3.022,323 2.181,324 29.918,325 3.884,326 3.816,327 3.812,328 4.122,329 1.849,330 0.886,331 1.11,332 0.181,333 1.079,334 8.085,335 6.556,336 6.556,337 99.989,338 115.99,339 105.94,340 1,341 1,342 1,343 4.578,344 1,345 1,346 2,347 1,348 1,349 1,350 4.578,351 18.321,352 19.803,353 21.333,354 22.836,355 7.578,356 4.578,357 2.297,358 1,359 6.573,360 1.361,361 0.324,362 2,363 2,364 59.469,365 1.533,366 4.623,367 4.623,368 1.501,369 1.501,370 66.152,371 0.998,372 5.274,373 2.99,374 33.571,375 76.254,376 76.254,377 32,378 3.087,379 139.207,380 4.027,381 1.309,382 3.459,383 82.3,384 1.121,385 7.462,386 1.984,387 0.149,388 1.33,389 5.732,390 3.143,391 3.125,392 -0.017,393 0.647,394 -0.286,395 -0.691,396 -0.264,397 2.204,398 3.953,399 -0.286,400 -0.691,401 29.701,402 28.808,403 9.899,404 9.899,405 9.899,406 9.899,407 9.899,408 126.641,409 300.764,410 4.165,411 4.356,412 4.319,413 5.079,414 1.674,415 3.457,416 21.777,417 4.942,418 12.665,419 3.165,420 5.231,421 3.964,422 3.931,423 298.958,424 0.849,425 20.116,426 1.006,427 8.807,429 4.115,430 4.875,432 4.791,433 5.359,434 3.031,435 24.61,436 2.687,437 43.584,438 43.584,439 9.668,440 7.093,441 10.165,442 236.29,443 12.372,444 7.045,445 2.483,446 0.509,447 0.29,449 0.023,450 364,451 7.713,452 2.213,453 4.145,454 3.103,455 3.029,456 4.724,457 2.845,458 5.194,459 147.207,460 30,461 29.949,462 0.527,463 0.804,464 0.825,465 1.472,466 3.72,467 3.944,468 12,469 7.629,470 9.608,472 2.768,473 12.372,474 0.625,475 4.054,476 -1,477 1,478 2.339,479 3.524,480 6.088,481 0.119,482 3.35,483 1.975,484 0.682,485 3.174,486 2,487 1,488 1.874,489 2.849,490 9.158,491 17.767,492 2.121,493 0.254,494 34.788,495 -0.03,496 1.933,497 71.414,498 3.459,499 27,500 -1.517,501 3.332,502 4.554,503 5.398,504 12.562,505 4.007,506 -1.517,507 30.235,508 29.652,510 5.004,511 6.5,512 94,513 110,514 2.981,515 1.002,516 4.873,517 0.917,518 42.683,520 2.984,521 2.508,522 11.061,524 3.461,525 3.5,526 1,527 0.926,528 1,529 0.926,530 5.451,531 2.824,532 1.078,533 20.392,534 2.43,535 2.43,536 1.15,537 1.5,538 9.312,539 7,540 4.804,541 5.235,542 3.335,543 4.57,544 2,545 3.623,546 4.071,547 3.247,548 7.876,549 3.5,550 3.34,551 1.048,552 0.63,555 0.598,556 1.585,557 3.52,558 2.678,559 1.732,560 1.732,562 0.537,563 3,564 2.098,570 3.19,571 -0.453,572 0.092,578 2.438,579 48,580 160.394,581 3.621,582 8.633,584 7.024,585 6.599,586 30.203,587 2.5,589 250.128,590 251.765,591 236,592 1.729,593 1,594 1.632,596 2.936,597 1.052,598 2.936,599 0.176,600 59.469,601 3.61,602 2.126,603 6.263,604 7.127,605 5.352,606 5.557,607 5.853,608 -0.167,609 15.821,612 0.427,613 2.377,614 14,615 1.596,616 5.096,617 21.273,618 1.326,619 0.589,620 2.925,621 2.735,622 2.715,623 1.181,624 1,625 3,626 3.577,627 12.796,628 14.567,629 16.733,630 19.203,631 10.492,632 21.51,633 11.696,634 23.927,635 21.143,636 12.773,637 12.488,638 23.01,639 13.941,640 24.885,641 15.06,642 26.766,643 16.216,644 28.651,645 17.801,646 0.532,647 3.518,648 3.944,649 4.102,650 1,651 1.354,652 5,653 3.434,654 5.742,655 1.354,656 2.943,657 1.498,658 1.007,659 8.505,660 1.542,661 9,662 1.984,664 10.15,665 11.238,666 4880,667 5.57,668 5.57,669 4.381,670 0.714,671 -0.904,672 0.162,673 3.138,674 3.431,675 1.275,676 1.283,677 3.817,678 1.512,679 33.282,680 1.339,681 7,682 1.056,683 1.107,684 0.932,685 0.86,686 0.287,687 2.461,688 2.619,689 48.38,690 48.38,691 -0.672,692 -0.672,693 1,694 1,695 10.659,696 4.025,697 4.094,698 5.342,699 2.928,700 4.407,701 7.279,702 1.01,703 2.417,704 3.97,705 3.951,707 0.866,708 5.323,709 6.606,712 0.948,713 0.998,714 4.32,715 4.64,716 3.837,717 -0.066,718 -0.141,719 -0.158,723 0.946,724 6.606,725 1.51,726 2.036,728 104.993,729 104.993,730 1.572,731 117.711,732 2.981,733 0.6,734 0.23,735 0.089,736 0.033,737 0.012,738 0.004,739 0.002,740 1.2,741 0.6,742 -0.354,743 2,744 0.03,745 0.041,746 0.366,747 0.006,748 11.296,749 8.893,750 1.398,751 17,752 4.17,753 1.182,754 13.635,755 0.329,756 3.512,757 16.5,758 3.512,760 3.454,761 1.496,762 9,763 0.869,764 2.478,765 1.918,771 4.301}
{0 CHEMBL1689602,1 1.5,6 4,7 3,8 4.149,9 0.983,10 0.601,11 1.5,12 0.151,13 0.06,14 4.4,18 1,22 1,26 1,27 128.565,28 128.565,29 103.566,30 0.564,31 5.192,32 1.421,33 4.149,34 2.398,35 4.844,36 7.018,37 5.141,40 0.054,41 3.095,42 4,43 0.667,44 1,45 1,46 103.159,47 0.149,48 1,49 1.133,50 0.133,51 5.095,52 3.095,53 0.451,54 0.08,55 1.062,56 3.195,57 2.5,58 24.572,59 1.116,60 1,61 162.136,62 6.718,63 3.174,64 10.907,65 3.174,66 10.907,67 5.174,68 6.718,69 3.174,70 10.907,71 4,72 3,73 0.019,74 -0.069,75 0.032,76 3,77 12,78 -0.099,79 7.127,80 4.128,81 4.158,82 4.093,83 4.039,84 4.048,85 9.984,86 196.24,87 10.428,88 10.428,89 0.668,90 1.906,91 5.249,92 0.233,93 33.571,94 33.571,95 95.838,96 2.144,97 1.54,98 1.735,99 17.245,100 0.886,101 0.014,102 6.7,103 0.257,104 2,105 2,106 4,108 1,109 1,110 1,111 1,112 1,113 4.411,114 1.837,115 1.821,116 10.116,117 1.075,118 10.755,119 12.445,120 13.764,121 15.351,122 16.78,123 0.548,124 41.536,125 5.54,126 4.424,127 -0.139,128 1.119,129 4.754,130 2.026,131 220.769,132 26.367,133 28.753,134 31.117,135 14.911,136 33.5,137 16.028,138 17.5,139 35.877,140 17.124,141 161.385,142 0.714,143 0.024,144 1.06,145 13.974,146 3.383,147 3.442,148 3.223,149 3.215,150 3.202,151 1.388,152 1.324,153 1.604,154 230.379,155 8.125,156 7.939,157 6.599,158 3.605,159 2.935,160 2,161 3.894,162 2.935,163 10.638,164 4.216,165 4.811,166 4.902,167 10.027,168 53.569,169 5.054,170 3.757,171 3.755,172 5.749,173 3.703,174 3.768,175 3.723,176 1.074,177 7.582,178 9.763,179 8.205,180 10.592,181 3.267,182 17.129,183 17.129,184 17.129,185 17.129,186 17.129,187 14.908,188 10.454,189 17.473,190 3.95,191 1.258,192 54,193 2.405,194 1.845,195 0.589,196 1.287,197 0.322,198 0.461,199 0.782,200 0.31,201 1.032,202 0.296,203 2.501,204 0.731,205 -0.229,206 -0.273,207 -0.562,208 -0.216,209 2.283,210 -0.57,211 -0.869,212 -0.079,213 0.385,214 -0.601,215 15.5,216 6884,217 4.618,218 1011.02,219 12546,220 4.583,221 120.31,222 19.309,223 3.332,224 3.332,225 27,226 25,227 8.15,228 5.694,229 36,230 58.333,232 7,233 3.716,234 199.596,235 112.096,236 4.836,237 0.322,238 -0.229,239 0.782,240 -0.562,241 -0.869,242 2.405,243 6724,244 11129,245 3.066,246 2.985,247 4.132,248 2.796,249 2.854,250 2.735,251 3.79,252 2.715,253 0.171,254 0.249,255 0.154,256 0.118,257 0.404,258 0.115,259 1.016,260 1.283,261 0.887,262 1.181,263 0.821,264 4.007,265 12.186,266 11.777,267 12.186,268 76.041,269 24.189,270 1.157,271 0.273,272 10.893,273 2.925,274 4.6,275 4.583,276 4.604,277 12.833,278 309.39,279 1.467,280 1.466,281 2,282 8.659,283 43.924,284 6.503,285 5,286 4.361,287 3.596,290 3.796,291 3.146,292 2.481,293 2.972,294 2.852,295 2.828,296 1.535,297 1.897,298 1.035,299 0.886,300 0.452,301 -0.482,302 -0.447,303 0.662,304 2,305 -0.614,306 -0.772,307 -1.216,308 -0.027,309 -0.129,310 3.871,311 20,313 3.638,314 1,315 53.515,316 37,317 1.035,318 7.177,319 -0.482,320 -0.614,321 -1.216,322 3.146,323 2.481,324 40.722,325 3.927,326 3.864,327 3.857,328 4.56,329 1.89,330 1.077,331 1.283,332 0.323,333 1.293,334 8.348,335 8.704,336 8.704,337 137.856,338 157.251,339 200.109,340 1,341 1,342 1,343 4.578,344 1,345 1,346 2,347 1,348 1,349 1,350 4.578,351 18.325,352 19.804,353 21.333,354 22.835,355 7.578,356 4.578,357 2.756,358 1,359 10.872,360 1.74,361 0.871,362 2,363 2,364 59.469,365 1.627,366 4.623,367 4.623,368 1.749,369 1.749,370 109.765,371 0.757,372 5.746,373 3.72,374 49.523,375 112.399,376 112.399,377 47,378 3.368,379 230.379,380 5.669,381 1.725,382 3.768,383 109.124,384 1.496,385 7.191,386 2.013,387 0.157,388 1.533,389 8.221,390 3.453,391 3.435,392 1.213,393 1.985,394 1,395 2.136,396 0.975,397 3.056,398 4.232,399 1,400 2.136,401 39.611,402 38.355,403 13.309,404 13.309,405 13.309,406 13.309,407 13.309,408 179.668,409 430.15,410 4.625,411 4.819,412 4.814,413 8.758,414 2.732,415 3.666,416 56.139,417 6.473,418 22.283,419 5.36,420 5.782,421 4.785,422 4.796,423 452.844,424 1.138,425 46.24,426 0.95,427 21.863,428 -0.373,429 4.042,430 5.724,432 11.212,433 8.935,434 5.201,435 51.323,436 2.958,437 67.501,438 67.501,439 13.976,440 6.927,441 13.759,442 336.42,443 17.648,444 10.231,445 2.686,446 0.728,447 0.297,448 12.249,449 0.144,450 957,451 7.833,452 2.333,453 4.814,454 3.805,455 3.748,456 5.675,457 3.738,458 9.988,459 247.133,460 45,461 45.138,462 0.886,463 1.062,464 1.107,465 1.634,466 4.589,467 4.792,468 20,469 7.734,470 9.668,471 0.682,472 5.514,473 17.648,474 0.62,475 7.591,476 0.034,478 2.563,479 3.672,480 6.104,481 0.121,482 3.824,483 2.003,484 0.945,485 3.475,486 2.355,487 1.334,488 1.67,489 3.586,490 18.208,491 26.6,492 3.674,493 0.504,494 58.529,495 -0.142,496 2.717,497 96.426,498 3.826,499 36,500 1.347,501 3.611,502 4.844,503 5.68,504 17.455,505 4.29,506 1.347,507 40.361,508 39.573,509 0.218,510 5.293,511 6.777,512 126,513 146,514 3.317,515 0.839,516 5.876,517 0.7,518 137.684,519 2,520 3.826,521 4.191,522 22.663,523 6,524 3.782,525 3.81,526 1.354,527 2.382,528 1.354,529 2.382,530 5.739,531 3.94,532 1.083,533 28.928,534 3.035,535 3.035,536 1.228,537 1.987,538 30.013,539 10,540 4.915,541 5.495,542 3.479,543 7.994,544 2,545 4.003,546 4.541,547 3.534,548 7.476,549 3.695,550 3.499,551 1.146,552 0.963,553 2,554 0.747,555 1.5,556 1.685,557 3.885,558 3.144,559 2.174,560 2.174,562 0.559,563 3,564 2.378,565 1,567 1,570 3.596,571 1,572 0.45,574 5,575 1,576 4,578 2.688,579 81,580 290.708,581 4.89,582 11.8,583 0.053,584 8.012,585 9.252,586 40.964,587 4,588 1,589 379.599,590 365.463,591 342,592 1.603,593 0.17,594 2.105,595 1,596 3.88,597 1.155,598 3.88,599 0.214,600 95.614,601 4.202,602 4.092,603 6.541,604 7.398,605 5.638,606 5.844,607 5.896,608 -0.07,609 43.929,610 1,611 2,612 0.566,613 2.579,614 16,615 2.221,616 8.246,617 30.228,618 1.951,619 1.102,620 3.136,621 2.887,622 2.893,623 1.567,624 1,625 3,626 4.203,627 17.667,628 14.776,629 16.901,630 19.353,631 10.733,632 21.628,633 11.919,634 24.029,635 21.377,636 12.98,637 12.707,638 23.23,639 14.132,640 25.09,641 15.235,642 26.956,643 16.377,644 28.827,645 17.802,646 0.615,647 3.897,648 4.392,649 4.617,650 3,651 1.606,652 7,653 3.761,654 6.072,655 1.606,656 3.77,657 1.59,658 1.162,659 16.121,660 1.32,661 13,662 2.105,663 1,664 10.327,665 11.426,666 8313,667 7.249,668 7.249,669 5.57,670 0.636,671 0.906,672 0.142,673 3.457,674 3.817,675 1.436,676 1.381,677 3.854,678 1.495,679 50.362,680 2,681 11,682 1.452,683 1.605,684 0.969,685 0.913,686 0.304,687 2.787,688 3.647,689 74.68,690 74.68,691 0.75,692 0.75,693 1.391,694 1.391,695 25.406,696 4.344,697 4.431,698 5.414,699 2.903,700 4.605,701 7.564,702 2.315,703 3.247,704 4.357,705 4.331,707 0.878,708 5.466,709 6.769,712 1.034,713 1.027,714 4.906,715 5.12,716 4.404,718 -0.05,719 -0.016,723 0.932,724 6.769,725 1.517,726 2.056,728 128.565,729 128.565,730 1.499,731 153.024,732 3.228,733 2.473,734 3.908,735 5.562,736 7.305,737 9.084,738 10.879,739 12.682,740 4.215,741 2.473,742 1.259,743 2.865,744 0.092,745 0.045,746 1,747 0.01,748 25.641,749 22.022,750 1.832,751 18,752 4.248,753 1.145,754 13.836,755 0.486,756 3.476,757 17.5,758 3.476,760 3.992,761 1.508,762 12,763 0.936,764 2.856,765 1.917,766 2.243,767 4.321,768 6.243,769 8.103,770 9.937,771 4.301}
{0 CHEMBL1689603,1 1.42,6 3,7 3,8 4.149,9 0.761,10 0.529,11 1.42,12 0.17,13 0.101,14 5.6,18 1,27 102.035,28 102.035,29 50.512,30 0.573,31 5.191,32 1.437,33 4.149,34 2.398,35 4.844,36 7.018,40 0.063,41 3.095,42 3,43 0.5,44 1,45 1,46 82.253,47 0.145,48 1,49 1.222,50 0.222,51 5.095,52 3.095,53 0.457,54 0.081,55 1.301,56 3.186,57 2.267,58 19.017,59 1.395,60 1,61 153.617,62 6.718,63 3.174,64 10.907,65 3.174,66 10.907,67 5.174,68 6.718,69 3.174,70 10.907,71 5,72 5,73 0.028,74 -0.067,75 0.017,76 2,77 7,78 0.161,79 25.186,80 4.128,81 4.158,82 4.093,83 4.039,84 4.048,85 10.535,86 235.744,87 10.854,88 10.854,89 0.769,90 2.331,91 5.473,92 0.926,93 51.582,94 51.582,95 93.351,96 2.144,97 1.614,98 1.754,99 19.519,100 0.897,101 0.008,102 3.7,103 0.239,104 3,105 3,106 6,108 1,109 1,110 1,111 1,112 1,113 4.498,114 1.906,115 1.94,116 10.123,117 0.834,118 10.685,119 12.337,120 13.713,121 15.285,122 16.746,123 0.529,124 51.497,125 5.538,126 4.205,127 0.113,128 1.135,129 4.559,130 2.018,131 249.744,132 26.354,133 28.742,134 31.108,135 14.907,136 33.493,137 16.021,138 17.475,139 35.871,140 17.121,141 184.916,142 0.574,143 0.012,144 1.397,145 14.355,146 3.431,147 3.482,148 3.325,149 3.247,150 3.26,151 1.413,152 1.355,153 1.671,154 257.744,155 8.903,156 8.525,157 7.263,158 3.631,159 2.936,160 3,161 3.819,162 2.936,163 16.098,164 4.065,165 4.606,166 4.749,167 9.925,168 48.09,169 5.065,170 3.853,171 3.867,172 5.847,173 3.774,174 3.894,175 3.798,176 1.218,177 8.481,178 12.729,179 9.851,180 14.489,181 3.266,182 16.259,183 16.259,184 16.259,185 16.259,186 16.259,187 14.789,188 9.781,189 16.448,190 3.926,191 1.459,192 53.5,193 2.234,194 0.961,195 0.215,196 0.701,197 -0.298,198 -0.321,199 -0.659,200 -0.288,201 0.884,202 -0.027,203 2.26,204 0.617,205 -0.317,206 -0.372,207 -0.779,208 -0.299,209 2.177,210 -0.843,211 -1.756,212 -0.633,213 0.098,214 -0.895,215 15,216 6507,217 4.614,218 1046.63,219 13103.1,220 4.546,221 121.369,222 21.808,223 3.296,224 3.296,225 26,226 25,227 10.483,228 5.611,229 34,230 55.833,232 8,233 3.627,234 189.764,235 112.096,236 4.749,237 -0.298,238 -0.317,239 -0.659,240 -0.779,241 -1.756,242 2.234,243 6691,244 10015,245 3.234,246 3.021,247 4.12,248 2.847,249 2.874,250 2.618,251 3.972,252 2.617,253 0.178,254 0.258,255 0.16,256 0.122,257 0.42,258 0.119,259 1.124,260 1.471,261 0.993,262 1.417,263 0.804,264 3.97,265 11.88,266 11.549,267 11.88,268 73.751,269 24.377,270 1.424,271 0.191,272 15.75,273 3.009,274 4.814,275 4.759,276 4.83,277 14.167,278 342.78,279 1.472,280 1.472,281 2,282 10.538,283 46.093,284 6.371,285 6,286 4.366,287 3.554,290 3.598,291 2.999,292 2.247,293 3.144,294 2.866,295 2.828,296 1.444,297 1.864,298 1.033,299 0.646,300 0.282,301 -0.694,302 -0.668,303 0.438,304 2,305 -0.902,306 -1,307 -2,308 -0.138,309 -0.203,310 3.761,311 20,313 3.526,314 0.857,315 39.33,316 33,317 1.033,318 7.152,319 -0.694,320 -0.902,321 -2,322 2.999,323 2.247,324 39.674,325 3.834,326 3.686,327 3.684,328 4.289,329 1.746,330 1.212,331 1.504,332 0.65,333 1.49,334 8.274,335 7.814,336 7.814,337 131.924,338 147.898,339 294.278,340 1,341 1,342 1,343 4.578,344 1,345 1,346 2,347 1,348 1,349 1,350 4.578,351 18.286,352 19.783,353 21.311,354 22.822,355 7.578,356 4.578,357 2.473,358 1,359 15.495,360 1.766,361 0.854,362 3,363 3,364 77.48,365 1.741,366 4.623,367 4.623,368 2.077,369 2.077,370 115.378,371 0.786,372 5.847,373 3.688,374 94.057,375 119.41,376 119.41,377 55,378 3.388,379 269.744,380 7.33,381 1.718,382 3.829,383 105.908,384 1.558,385 6.863,386 1.989,387 0.209,388 1.634,389 8.987,390 3.532,391 3.479,392 1.226,393 1.769,394 0.766,395 1.725,396 0.762,397 2.868,398 4.217,399 0.766,400 1.725,401 38.27,402 37.364,403 12.826,404 12.826,405 12.826,406 12.826,407 12.826,408 198.641,409 476.445,410 4.873,411 5.116,412 5.264,413 12.391,414 3.475,415 3.717,416 60.197,417 6.473,418 30.396,419 7.104,420 5.907,421 4.989,422 5.067,423 527.494,424 1.417,425 64.375,426 0.903,427 31.214,428 -0.051,429 4.073,430 5.82,432 15.896,433 12.907,434 7.342,435 63.429,436 3.081,437 76.689,438 76.689,439 15.543,440 6.657,441 13.121,442 343.52,443 18.397,444 11.823,445 3.08,446 1.012,447 0.337,448 12.473,449 0.13,450 1001,451 7.733,452 2.233,453 5.08,454 3.972,455 3.855,456 5.823,457 3.877,458 12.753,459 310.764,460 54,461 53.447,462 0.934,463 1.239,464 1.308,465 2.079,466 4.903,467 5.164,468 29,469 7.66,470 9.51,471 0.639,472 7.064,473 18.397,474 0.6,475 7.939,476 -0.371,478 2.683,479 4.069,480 5.969,481 0.121,482 3.988,483 1.977,484 1.147,485 3.517,486 2.437,487 1.409,488 1.746,489 3.424,490 25.294,491 28.933,492 4.472,493 0.606,494 61.828,495 -0.016,496 2.729,497 101.104,498 3.92,499 35,500 0.717,501 3.584,502 4.812,503 5.624,504 17.913,505 4.263,506 0.717,507 39.252,508 38.267,509 0.469,510 5.263,511 6.725,512 122,513 138,514 3.364,515 0.879,516 5.929,517 0.46,518 114.913,519 1,520 4.025,521 5.074,522 29.378,523 3,524 3.768,525 3.919,526 1.354,527 2.429,528 1.354,529 2.429,530 5.728,531 4.127,532 0.83,533 31.342,534 3.643,535 3.643,536 1.318,537 1.986,538 26.71,539 11,540 4.912,541 5.554,542 3.593,543 9.048,544 5,545 4.177,546 4.797,547 3.581,548 6.361,549 3.784,550 3.574,551 1.291,552 1.186,553 3,554 2.291,555 1.22,556 1.684,557 4.041,558 3.146,559 2.175,560 2.175,561 1,562 0.622,563 6,564 2.222,565 4,566 2,567 1,568 1,569 2,570 3.248,571 0.58,572 0.491,573 14,574 4,575 4,576 10,577 2,578 2.683,579 96,580 373.877,581 4.643,582 11.867,583 0.128,584 7.999,585 9.299,586 39.946,587 5.5,588 3,589 314.196,590 308.135,591 286,592 0.702,593 0.33,594 2.11,595 1,596 4.985,597 0.965,598 4.985,599 0.284,600 102.625,601 4.627,602 5.603,603 6.485,604 7.326,605 5.609,606 5.814,607 5.677,608 -0.047,609 50.986,610 2,611 3,612 0.67,613 2.744,614 14,615 2.233,616 10.244,617 33.824,618 2.139,619 1.261,620 3.325,621 3.01,622 3.006,623 1.625,624 1,625 2,626 4.463,627 19.922,628 14.736,629 16.871,630 19.326,631 10.709,632 21.609,633 11.882,634 24.012,635 21.344,636 12.951,637 12.704,638 23.2,639 14.099,640 25.063,641 15.207,642 26.931,643 16.348,644 28.805,645 17.802,646 0.575,647 4.035,648 4.586,649 4.972,650 2,651 1.741,652 8,653 3.892,654 6.143,655 1.741,656 3.761,657 1.678,658 1.308,659 22.595,660 1.06,661 11,662 2.153,663 1,664 9.24,665 11.322,666 5864,667 6.396,668 6.396,669 4.841,670 0.744,671 0.414,672 0.143,673 3.439,674 3.81,675 1.789,676 1.955,677 3.73,678 1.51,679 61.311,680 2.001,681 11,682 1.513,683 1.66,684 1.044,685 1.037,686 0.346,687 2.849,688 3.672,689 77.48,690 77.48,691 0.296,692 0.296,693 1.482,694 1.482,695 19.782,696 4.205,697 4.263,698 5.214,699 2.931,700 4.59,701 7.548,702 2.047,703 3.117,704 4.127,705 4.06,707 0.839,708 5.466,709 6.679,712 1.198,713 1.057,714 4.625,715 4.773,716 4.214,717 0.082,718 0.02,719 -0.127,723 0.868,724 6.679,725 1.536,726 2.036,728 102.035,729 102.035,730 1.393,731 258.964,732 3.298,733 1.958,734 3.05,735 4.221,736 5.481,737 6.78,738 8.098,739 9.428,740 3.434,741 1.958,742 0.908,743 2.408,744 0.075,745 0.051,746 0.995,747 0.012,748 24.852,749 27.723,750 2.047,751 12,752 3.7,753 1.215,754 13.825,755 0.706,756 3.193,757 11.5,758 3.193,759 1,760 4.335,761 1.526,762 11,763 0.825,764 2.867,765 1.913,766 1.593,767 3.114,768 4.564,769 5.969,770 7.348,771 4.301}
{0 CHEMBL1689604,1 1.536,6 3,7 3,8 4.163,9 0.762,10 0.507,11 1.536,12 0.144,13 0.115,14 5.6,18 1,27 96.06,28 96.06,29 44.537,30 0.579,31 5.205,32 1.414,33 4.163,34 2.398,35 4.844,36 7.018,40 0.061,41 3.101,42 3,43 0.5,44 1,45 1,46 72.777,47 0.145,48 1,49 1.222,50 0.222,51 5.101,52 3.101,53 0.455,54 0.078,55 1.294,56 3.24,57 2.284,58 19.815,59 1.329,61 147.641,62 6.728,63 3.19,64 10.958,65 3.19,66 10.958,67 5.19,68 6.728,69 3.19,70 10.958,71 5,72 5,73 0.031,74 -0.071,75 0.018,76 2,77 6,78 0.149,79 25.186,80 4.13,81 4.158,82 4.146,83 4.046,84 4.053,85 10.948,86 240.989,87 11.488,88 11.896,89 0.768,90 2.204,91 5.506,92 0.936,93 51.582,94 51.582,95 93.351,96 2.144,97 1.569,98 1.754,99 20.788,100 0.714,101 0.013,102 3.7,103 0.258,104 4,105 3,106 5,108 1,109 1,110 1,111 1,112 1,113 4.485,114 1.906,115 1.939,116 10.171,117 0.722,118 10.761,119 12.4,120 13.778,121 15.346,122 16.81,123 0.536,124 54.81,125 5.579,126 4.285,127 0.141,128 1.134,129 4.663,130 2.001,131 251.744,132 26.403,133 28.796,134 31.167,135 14.931,136 33.556,137 16.047,138 17.548,139 35.939,140 17.149,141 191.77,142 0.563,143 0.003,144 1.385,145 14.832,146 3.44,147 3.48,148 3.353,149 3.258,150 3.269,151 1.413,152 1.355,153 1.669,154 257.744,155 9.033,156 8.618,157 7.313,158 4.07,159 3.646,160 3,161 3.995,162 3.646,163 16.511,164 4.115,165 4.65,166 4.8,167 10.003,168 49.935,169 5.087,170 3.892,171 3.913,172 5.89,173 3.825,174 3.925,175 3.835,176 1.202,177 8.92,178 12.753,179 10.259,180 14.575,181 3.304,182 16.706,183 16.706,184 16.706,185 16.706,186 16.706,187 15.211,188 9.92,189 17.032,190 3.962,191 1.521,192 55.833,193 2.368,194 1.161,195 0.391,196 0.745,197 -0.136,198 -0.161,199 -0.33,200 -0.106,201 0.884,202 0.208,203 2.355,204 0.701,205 -0.299,206 -0.323,207 -0.659,208 -0.297,209 2.277,210 -0.75,211 -1.618,212 -0.371,213 0.163,214 -0.668,215 15.75,216 7138,217 4.67,218 1144.59,219 14711.7,220 4.592,221 127.842,222 23.456,223 3.332,224 3.332,225 27,226 26,227 10.543,228 5.778,229 36,230 59.611,232 8,233 3.674,234 201.99,235 116.211,236 4.792,237 -0.136,238 -0.299,239 -0.33,240 -0.659,241 -1.618,242 2.368,243 7365,244 11918,245 3.236,246 3.024,247 4.19,248 2.859,249 2.874,250 2.618,251 3.975,252 2.618,253 0.172,254 0.249,255 0.154,256 0.118,257 0.406,258 0.115,259 1.124,260 1.466,261 0.995,262 1.417,263 0.804,264 4.007,265 12.274,266 11.634,267 12.562,268 79.289,269 25.158,270 1.406,271 0.186,272 17.498,273 3.009,274 4.823,275 4.771,276 4.835,277 15,278 357.99,279 1.484,280 1.478,281 2,282 11.131,283 50.533,284 6.492,285 6,286 4.463,287 3.668,290 3.756,291 3.132,292 2.299,293 3.146,294 3.075,295 2.865,296 1.725,297 1.871,298 1.039,299 0.663,300 0.311,301 -0.633,302 -0.472,303 0.575,304 2.233,305 -0.712,306 -0.872,307 -1.833,308 -0.091,309 -0.106,310 3.807,311 20,313 3.555,314 0.857,315 42.83,316 34,317 1.039,318 7.223,319 -0.633,320 -0.712,321 -1.833,322 3.132,323 2.299,324 41.76,325 3.834,326 3.686,327 3.684,328 4.461,329 1.746,330 1.211,331 1.501,332 0.65,333 1.486,334 8.34,335 8.156,336 8.418,337 153.443,338 164.657,339 282.506,340 1,341 1,342 1,343 4.599,344 1,345 1,346 2,347 1,348 1,349 1,350 4.599,351 18.35,352 19.85,353 21.381,354 22.896,355 7.599,356 4.599,357 2.849,359 15.695,360 1.765,361 0.853,362 3,363 3,364 77.48,365 1.741,366 4.638,367 4.638,368 2.078,369 2.078,370 120.055,371 0.756,372 5.893,373 3.863,374 94.057,375 119.41,376 119.41,377 55,378 3.55,379 269.744,380 7.911,381 1.718,382 3.864,383 112.236,384 1.557,385 6.959,386 1.985,387 0.214,388 1.74,389 9.464,390 3.557,391 3.504,392 1.226,393 1.779,394 0.778,395 1.757,396 0.771,397 2.907,398 4.241,399 0.778,400 1.757,401 40.079,402 38.186,403 13.309,404 13.309,405 13.309,406 13.309,407 13.309,408 206.974,409 496.777,410 4.882,411 5.115,412 5.263,413 12.334,414 3.455,415 3.717,416 62.74,417 6.473,418 33.38,419 7.425,420 5.937,421 4.987,422 5.066,423 548.896,424 1.417,425 72.268,426 0.905,427 33.886,428 -0.076,429 4.157,430 5.915,432 16.112,433 12.365,434 7.138,435 67.716,436 3.145,437 82.965,438 82.965,439 16.599,440 6.822,441 13.871,442 377.96,443 19.767,444 11.062,445 3.081,446 1.063,447 0.358,448 12.506,449 0.19,450 1078,451 7.793,452 2.293,453 5.078,454 3.994,455 3.877,456 5.848,457 3.915,458 12.877,459 310.764,460 54,461 53.771,462 0.934,463 1.239,464 1.308,465 2.08,466 4.91,467 5.163,468 28,469 7.759,470 9.578,471 0.639,472 7.537,473 19.267,474 0.606,475 8.494,476 -0.178,478 2.877,479 4.627,480 6.106,481 0.118,482 4.025,483 1.974,484 1.148,485 3.52,486 2.592,487 1.509,488 1.553,489 3.551,490 27.639,491 30.019,492 4.528,493 0.606,494 64.685,495 -0.007,496 2.922,497 105.909,498 3.961,499 37,500 0.888,501 3.638,502 4.86,503 5.673,504 18.474,505 4.317,506 0.888,507 40.853,508 39.918,509 0.469,510 5.313,511 6.783,512 128,513 145,514 3.379,515 0.811,516 5.944,517 0.442,518 114.913,519 2,520 4.061,521 5.086,522 32.178,523 4,524 3.893,525 3.953,526 1.48,527 2.498,528 1.48,529 2.498,530 5.753,531 4.417,532 0.801,533 32.17,534 4.772,535 4.772,536 1.318,537 2.153,538 28.379,539 10,540 5.001,541 5.57,542 3.593,543 9.426,544 5,545 4.176,546 4.796,547 3.58,548 6.999,549 3.784,550 3.574,551 1.291,552 1.171,553 3,554 2.23,555 1.238,556 1.695,557 4.082,558 3.227,559 2.233,560 2.233,561 1,562 0.638,563 5,564 2.222,565 4,566 2,567 1,568 1,569 2,570 3.387,571 0.705,572 0.523,573 14,574 4,575 4,576 10,577 2,578 2.803,579 102,580 401.254,581 4.727,582 12.581,583 0.144,584 8.115,585 9.661,586 41.853,587 6.5,588 3,589 348.399,590 370.293,591 342,592 1.15,593 0.17,594 2.16,595 1,596 5.032,597 0.961,598 5.032,599 0.286,600 102.625,601 4.7,602 6.016,603 6.541,604 7.386,605 5.673,606 5.883,607 5.771,608 -0.038,609 52.066,610 2,611 3,612 0.861,613 2.749,614 15,615 2.234,616 10.875,617 34.682,618 2.201,619 1.246,620 3.325,621 3.015,622 3.012,623 1.625,624 1,625 3,626 5.128,627 26.294,628 14.784,629 16.907,630 19.369,631 10.775,632 21.65,633 11.944,634 24.059,635 21.383,636 13.016,637 12.726,638 23.235,639 14.163,640 25.096,641 15.274,642 26.963,643 16.417,644 28.836,645 17.858,646 0.596,647 4.041,648 4.593,649 4.979,650 2,651 1.953,652 9,653 4.007,654 6.175,655 1.953,656 3.831,657 1.678,658 1.308,659 23.062,660 1.048,661 11,662 2.245,663 1,664 9.36,665 11.402,666 6726,667 6.608,668 6.827,669 5.168,670 0.746,671 0.5,672 0.138,673 3.527,674 3.939,675 1.521,676 1.774,677 3.753,678 1.513,679 61.255,680 2.008,681 11,682 1.513,683 1.659,684 1.061,685 1.052,686 0.351,687 2.866,688 3.813,689 77.48,690 77.48,691 0.368,692 0.368,693 1.67,694 1.67,695 23.283,696 4.317,697 4.382,698 5.268,699 2.9,700 4.718,701 7.57,702 2.068,703 3.158,704 4.248,705 4.174,707 0.839,708 5.507,709 6.903,712 1.084,713 1.054,714 4.662,715 4.773,716 4.47,717 0.099,718 0.051,719 -0.125,723 0.868,724 6.903,725 1.55,726 2.028,728 135.208,729 135.208,730 1.387,731 247.193,732 3.328,733 1.958,734 3.05,735 4.221,736 5.481,737 6.78,738 8.098,739 9.428,740 3.434,741 1.958,742 0.932,743 2.483,744 0.073,745 0.052,746 1.002,747 0.013,748 28.707,749 31.688,750 2.183,751 12,752 3.7,753 1.207,754 13.847,755 0.812,756 3.268,757 11.5,758 3.268,759 1,760 4.219,761 1.547,762 9,763 0.759,764 2.954,765 1.914,766 1.593,767 3.114,768 4.564,769 5.969,770 7.348,771 4.356}
{0 CHEMBL1689605,1 1.536,6 3,7 4,8 4.16,9 0.762,10 0.507,11 1.536,12 0.144,13 0.115,14 5.6,18 1,27 96.06,28 96.06,29 44.537,30 0.579,31 5.203,32 1.415,33 4.16,34 2.398,35 4.844,36 7.018,40 0.065,41 3.1,42 3,43 0.5,44 1,45 1,46 72.777,47 0.145,48 1,49 1.222,50 0.222,51 5.1,52 3.1,53 0.455,54 0.078,55 1.289,56 3.227,57 2.298,58 19.799,59 1.329,61 147.641,62 6.724,63 3.188,64 10.938,65 3.188,66 10.938,67 5.188,68 6.724,69 3.188,70 10.938,71 5,72 4,73 0.031,74 -0.071,75 0.018,76 2,77 6,78 0.159,79 25.186,80 4.13,81 4.158,82 4.146,83 4.045,84 4.053,85 10.948,86 240.989,87 11.488,88 11.896,89 0.768,90 2.204,91 5.5,92 0.936,93 51.582,94 51.582,95 93.351,96 2.144,97 1.58,98 1.754,99 20.788,100 0.714,101 0.013,102 3.7,103 0.258,104 4,105 3,106 6,108 1,109 1,110 1,111 1,112 1,113 4.487,114 1.906,115 1.939,116 10.171,117 0.713,118 10.761,119 12.399,120 13.777,121 15.344,122 16.807,123 0.582,124 54.852,125 5.579,126 4.284,127 0.13,128 1.134,129 4.667,130 2.002,131 251.744,132 26.386,133 28.777,134 31.145,135 14.927,136 33.532,137 16.043,138 17.54,139 35.912,140 17.144,141 191.77,142 0.563,143 0.003,144 1.397,145 14.832,146 3.44,147 3.48,148 3.351,149 3.257,150 3.269,151 1.413,152 1.355,153 1.67,154 257.744,155 9.033,156 8.618,157 7.313,158 4.07,159 3.644,160 3,161 3.992,162 3.644,163 16.472,164 4.115,165 4.65,166 4.8,167 10.003,168 49.954,169 5.087,170 3.888,171 3.909,172 5.877,173 3.816,174 3.919,175 3.83,176 1.211,177 8.859,178 12.684,179 10.232,180 14.59,181 3.304,182 16.706,183 16.706,184 16.706,185 16.706,186 16.706,187 15.211,188 9.918,189 17.032,190 3.962,191 1.453,192 55.833,193 2.399,194 0.983,195 0.238,196 0.701,197 -0.296,198 -0.319,199 -0.659,200 -0.23,201 0.955,202 0.177,203 2.367,204 0.627,205 -0.307,206 -0.352,207 -0.766,208 -0.292,209 2.272,210 -0.466,211 -0.924,212 -0.373,213 0.209,214 -0.712,215 15.75,216 7198,217 4.67,218 1154.39,219 14825.3,220 4.592,221 128.041,222 24.018,223 3.332,224 3.332,225 27,226 26,227 10.543,228 5.778,229 36,230 59.611,232 8,233 3.682,234 201.569,235 118.211,236 4.792,237 -0.296,238 -0.307,239 -0.659,240 -0.766,241 -0.924,242 2.399,243 7425,244 12079,245 3.234,246 3.022,247 4.186,248 2.85,249 2.874,250 2.634,251 3.972,252 2.639,253 0.172,254 0.249,255 0.154,256 0.118,257 0.405,258 0.115,259 1.124,260 1.468,261 0.994,262 1.417,263 0.804,264 4.007,265 12.274,266 11.634,267 12.562,268 79.289,269 25.206,270 1.406,271 0.186,272 17.557,273 3.009,274 4.822,275 4.766,276 4.838,277 15,278 357.99,279 1.485,280 1.479,281 2,282 10.923,283 50.256,284 6.512,285 6,286 4.463,287 3.666,290 3.787,291 3.136,292 2.458,293 3.177,294 3.144,295 2.859,296 1.711,297 1.865,298 1.059,299 0.884,300 0.471,301 -0.366,302 -0.299,303 0.449,304 2.234,305 -0.763,306 -0.916,307 -1.94,308 -0.029,309 -0.103,310 3.807,311 20,313 3.555,314 1,315 42.83,316 34,317 1.059,318 7.223,319 -0.366,320 -0.763,321 -1.94,322 3.136,323 2.458,324 41.679,325 3.834,326 3.686,327 3.685,328 4.438,329 1.746,330 1.212,331 1.504,332 0.646,333 1.488,334 8.34,335 8.149,336 8.412,337 153.443,338 164.657,339 282.506,340 1,341 1,342 1,343 4.597,344 1,345 1,346 2,347 1,348 1,349 1,350 4.597,351 18.347,352 19.846,353 21.376,354 22.89,355 7.597,356 4.597,357 2.867,359 15.695,360 1.766,361 0.853,362 3,363 3,364 77.48,365 1.741,366 4.636,367 4.636,368 2.078,369 2.078,370 120.055,371 0.756,372 5.892,373 3.842,374 94.057,375 119.41,376 119.41,377 55,378 3.549,379 269.744,380 7.911,381 1.716,382 3.864,383 112.264,384 1.557,385 7.005,386 1.985,387 0.214,388 1.642,389 9.464,390 3.557,391 3.504,392 1.263,393 1.791,394 0.793,395 1.77,396 0.781,397 2.904,398 4.241,399 0.793,400 1.77,401 40.101,402 38.199,403 13.309,404 13.309,405 13.309,406 13.309,407 13.309,408 206.974,409 496.777,410 4.882,411 5.115,412 5.263,413 12.334,414 3.455,415 3.717,416 62.39,417 6.473,418 33.38,419 7.425,420 5.946,421 4.989,422 5.065,423 548.896,424 1.417,425 72.011,426 0.905,427 32.173,428 -0.071,429 4.158,430 5.887,432 15.992,433 12.365,434 7.138,435 69.467,436 3.103,437 82.965,438 82.965,439 16.599,440 6.805,441 13.87,442 377.96,443 19.767,444 11.062,445 3.081,446 1.059,447 0.358,448 12.5,449 0.182,450 1082,451 7.793,452 2.293,453 5.078,454 3.994,455 3.878,456 5.831,457 3.894,458 12.905,459 310.764,460 54,461 53.771,462 0.934,463 1.239,464 1.308,465 2.08,466 4.905,467 5.164,468 28,469 7.759,470 9.578,471 0.639,472 7.537,473 19.267,474 0.606,475 8.575,476 -0.028,478 2.756,479 4.627,480 6.114,481 0.119,482 4.019,483 1.974,484 1.147,485 3.52,486 2.68,487 1.588,488 1.553,489 3.551,490 27.545,491 30.019,492 4.528,493 0.647,494 64.685,495 -0.017,496 2.928,497 105.909,498 3.961,499 37,500 0.852,501 3.638,502 4.86,503 5.673,504 18.474,505 4.317,506 0.852,507 40.878,508 39.939,509 0.469,510 5.313,511 6.783,512 128,513 145,514 3.381,515 0.811,516 5.968,517 0.442,518 114.913,520 4.04,521 5.086,522 32.019,523 2,524 3.893,525 3.953,526 1.479,527 2.548,528 1.479,529 2.548,530 5.753,531 4.417,532 0.812,533 32.17,534 4.972,535 4.972,536 1.318,537 2.153,538 28.379,539 11,540 5.002,541 5.568,542 3.593,543 9.426,544 4,545 4.176,546 4.796,547 3.58,548 6.999,549 3.784,550 3.574,551 1.291,552 1.171,553 3,554 2.24,555 1.256,556 1.694,557 4.082,558 3.228,559 2.233,560 2.233,561 1,562 0.638,563 7,564 2.223,565 4,566 2,567 1,568 1,569 2,570 3.276,571 0.76,572 0.516,573 14,574 4,575 4,576 10,577 2,578 2.845,579 102,580 401.254,581 4.723,582 12.581,583 0.178,584 8.11,585 9.659,586 41.854,587 6.5,588 3,589 348.399,590 370.293,591 342,592 1.18,593 0.17,594 2.18,595 1,596 5.032,597 0.971,598 5.032,599 0.286,600 102.625,601 4.701,602 6.016,603 6.541,604 7.385,605 5.673,606 5.883,607 5.76,608 -0.038,609 53.466,610 2,611 3,612 0.861,613 2.796,614 15,615 2.234,616 10.875,617 34.682,618 2.326,619 1.25,620 3.325,621 3.011,622 3.008,623 1.623,624 1,625 2,626 5.128,627 26.294,628 14.78,629 16.901,630 19.36,631 10.774,632 21.638,633 11.943,634 24.044,635 21.382,636 13.012,637 12.723,638 23.233,639 14.159,640 25.093,641 15.269,642 26.959,643 16.411,644 28.831,645 17.887,646 0.596,647 4.041,648 4.593,649 4.979,650 2,651 1.846,652 9,653 4.007,654 6.175,655 1.846,656 3.847,657 1.678,658 1.308,659 23.062,660 1.048,661 12,662 2.245,663 1,664 9.363,665 11.402,666 6726,667 6.66,668 6.895,669 5.051,670 0.737,671 0.479,672 0.138,673 3.527,674 3.939,675 1.467,676 1.732,677 3.757,678 1.514,679 61.255,680 2.021,681 10,682 1.513,683 1.66,684 1.046,685 1.052,686 0.351,687 2.853,688 3.742,689 77.48,690 77.48,691 0.351,692 0.351,693 1.741,694 1.741,695 23.283,696 4.331,697 4.357,698 5.268,699 2.888,700 4.718,701 7.57,702 2.072,703 3.159,704 4.248,705 4.205,707 0.839,708 5.54,709 7.082,712 0.886,713 1.059,714 4.662,715 4.773,716 4.393,717 0.099,718 0.051,719 -0.125,723 0.868,724 7.082,725 1.55,726 2.028,728 135.208,729 135.208,730 1.387,731 247.193,732 3.371,733 1.958,734 3.05,735 4.221,736 5.481,737 6.78,738 8.098,739 9.428,740 3.434,741 1.958,742 0.941,743 2.478,744 0.073,745 0.052,746 1.011,747 0.013,748 28.551,749 29.512,750 2.157,751 12,752 3.7,753 1.207,754 13.844,755 0.812,756 3.308,757 11.5,758 3.308,759 1,760 4.219,761 1.544,762 9,763 0.778,764 3.002,765 1.914,766 1.593,767 3.114,768 4.564,769 5.969,770 7.348,771 4.314}
{0 CHEMBL1689606,1 1.536,6 3,7 3,8 4.195,9 0.763,10 0.519,11 1.536,12 0.144,13 0.103,14 5.6,18 1,27 96.06,28 96.06,29 44.537,30 0.579,31 5.238,32 1.415,33 4.195,34 2.398,35 4.844,36 7.034,40 0.063,41 3.114,42 3,43 0.5,44 1,45 1,46 72.777,47 0.145,48 1,49 1.222,50 0.222,51 5.114,52 3.114,53 0.455,54 0.078,55 1.299,56 3.234,57 2.382,58 19.831,59 1.3,61 147.641,62 6.819,63 3.231,64 11.254,65 3.231,66 11.254,67 5.231,68 6.819,69 3.231,70 11.254,71 4,72 6,73 0.031,74 -0.071,75 0.018,76 2,77 6,78 0.145,79 25.186,80 4.131,81 4.158,82 4.168,83 4.048,84 4.055,85 10.927,86 240.989,87 11.382,88 11.753,89 0.768,90 2.204,91 5.506,92 0.936,93 51.582,94 51.582,95 93.351,96 2.144,97 1.569,98 1.752,99 20.788,100 0.714,101 0.013,102 3.7,103 0.258,104 3,105 3,106 5,108 1,109 1,110 1,111 1,112 1,113 4.485,114 1.906,115 1.939,116 10.189,117 0.834,118 10.837,119 12.479,120 13.881,121 15.455,122 16.937,123 0.524,124 54.833,125 5.573,126 4.283,127 0.144,128 1.134,129 4.634,130 2.002,131 251.744,132 26.689,133 29.109,134 31.506,135 14.978,136 33.924,137 16.098,138 17.718,139 36.333,140 17.204,141 191.77,142 0.563,143 0.003,144 1.385,145 14.837,146 3.434,147 3.481,148 3.348,149 3.25,150 3.263,151 1.413,152 1.355,153 1.67,154 257.744,155 9.039,156 8.626,157 7.322,158 4.047,159 3.518,160 3,161 4,162 3.518,163 16.631,164 4.115,165 4.672,166 4.8,167 10.02,168 49.956,169 5.088,170 3.913,171 3.899,172 5.92,173 3.811,174 3.918,175 3.822,176 1.206,177 8.857,178 12.734,179 10.171,180 14.521,181 3.304,182 16.759,183 16.759,184 16.759,185 16.759,186 16.759,187 15.244,188 9.943,189 17.057,190 3.962,191 1.521,192 55.833,193 2.438,194 1.194,195 0.327,196 0.754,197 -0.125,198 -0.151,199 -0.295,200 -0.098,201 0.884,202 0.205,203 2.355,204 0.701,205 -0.299,206 -0.323,207 -0.659,208 -0.297,209 2.277,210 -0.631,211 -1.277,212 -0.372,213 0.159,214 -0.695,215 15.75,216 7118,217 4.671,218 1144.3,219 14677,220 4.592,221 127.787,222 23.331,223 3.332,224 3.332,225 27,226 26,227 10.543,228 5.806,229 37,230 59.611,232 8,233 3.664,234 202.622,235 116.211,236 4.792,237 -0.125,238 -0.299,239 -0.295,240 -0.659,241 -1.277,242 2.438,243 7348,244 11868,245 3.234,246 3.029,247 4.19,248 2.877,249 2.874,250 2.628,251 4.114,252 2.64,253 0.173,254 0.253,255 0.155,256 0.12,257 0.417,258 0.115,259 1.124,260 1.471,261 0.993,262 1.417,263 0.804,264 4.007,265 12.291,266 11.672,267 12.579,268 79.39,269 25.145,270 1.402,271 0.187,272 17.467,273 3.009,274 4.823,275 4.768,276 4.833,277 15,278 357.99,279 1.484,280 1.479,281 2,282 11.131,283 50.676,284 6.467,285 6,286 4.463,287 3.594,290 3.811,291 3.128,292 2.258,293 3.147,294 2.994,295 2.835,296 1.54,297 1.901,298 1.163,299 0.754,300 0.412,301 -0.521,302 -0.43,303 0.479,304 2.234,305 -0.776,306 -0.917,307 -1.93,308 -0.146,309 -0.199,310 3.829,311 20,313 3.555,314 0.857,315 42.83,316 34,317 1.163,318 7.241,319 -0.521,320 -0.776,321 -1.93,322 3.128,323 2.258,324 41.83,325 3.834,326 3.686,327 3.685,328 4.374,329 1.746,330 1.212,331 1.5,332 0.644,333 1.49,334 8.357,335 8.293,336 8.652,337 153.443,338 168.1,339 282.506,340 1,341 1,342 1,343 4.652,344 1,345 1,346 2,347 1,348 1,349 1,350 4.652,351 18.486,352 20,353 21.541,354 23.068,355 7.652,356 4.652,357 2.845,359 15.668,360 1.765,361 0.853,362 3,363 3,364 77.48,365 1.741,366 4.678,367 4.678,368 2.078,369 2.078,370 119.589,371 0.755,372 5.903,373 3.779,374 94.057,375 119.41,376 119.41,377 55,378 3.539,379 269.744,380 7.854,381 1.714,382 3.864,383 112.704,384 1.556,385 6.978,386 1.984,387 0.212,388 1.667,389 9.47,390 3.557,391 3.504,392 1.371,393 1.822,394 0.833,395 1.825,396 0.806,397 2.915,398 4.241,399 0.833,400 1.825,401 40.056,402 38.203,403 13.293,404 13.293,405 13.293,406 13.293,407 13.293,408 206.974,409 496.777,410 4.883,411 5.115,412 5.262,413 12.334,414 3.462,415 3.717,416 71.81,417 6.473,418 33.539,419 7.427,420 5.959,421 4.988,422 5.066,423 548.896,424 1.417,425 73.297,426 0.905,427 33.886,428 -0.076,429 4.174,430 5.864,432 16.112,433 12.365,434 7.138,435 68.223,436 3.196,437 82.965,438 82.965,439 16.599,440 6.84,441 13.823,442 377.96,443 19.767,444 11.173,445 3.081,446 1.066,447 0.358,448 12.506,449 0.19,450 1070,451 7.793,452 2.293,453 5.078,454 3.988,455 3.873,456 5.848,457 3.915,458 12.858,459 310.764,460 54,461 53.771,462 0.934,463 1.239,464 1.308,465 2.08,466 4.91,467 5.163,468 28,469 7.801,470 9.622,471 0.639,472 7.537,473 19.267,474 0.606,475 8.518,476 -0.167,478 2.74,479 4.332,480 6.101,481 0.118,482 4.046,483 1.973,484 1.148,485 3.519,486 2.505,487 1.45,488 1.442,489 3.551,490 27.723,491 30.019,492 4.528,493 0.606,494 63.87,495 -0.005,496 2.99,497 105.909,498 3.968,499 37,500 0.996,501 3.638,502 4.86,503 5.68,504 18.474,505 4.317,506 0.996,507 40.842,508 39.929,509 0.469,510 5.313,511 6.79,512 128,513 146,514 3.372,515 0.811,516 5.936,517 0.442,518 114.913,519 2,520 4.061,521 5.086,522 32.64,523 4,524 3.893,525 3.953,526 1.403,527 2.749,528 1.403,529 2.749,530 5.757,531 4.519,532 0.805,533 32.17,534 4.01,535 4.01,536 1.318,537 2.11,538 27.672,539 10,540 5.013,541 5.61,542 3.593,543 9.426,544 6,545 4.176,546 4.796,547 3.58,548 6.999,549 3.784,550 3.574,551 1.291,552 1.171,553 3,554 2.23,555 1.355,556 1.694,557 4.085,558 3.228,559 2.233,560 2.233,561 1,562 0.638,563 5,564 2.225,565 4,566 2,567 1,568 1,569 2,570 3.249,571 0.926,572 0.523,573 14,574 4,575 4,576 10,577 2,578 2.809,579 102,580 401.254,581 4.698,582 12.581,583 0.144,584 8.113,585 9.664,586 42.062,587 6,588 3,589 348.399,590 370.156,591 342,592 1.078,593 0.17,594 2.209,595 1,596 5.032,597 0.956,598 5.032,599 0.286,600 102.625,601 4.627,602 5.742,603 6.55,604 7.401,605 5.68,606 5.894,607 5.765,608 -0.038,609 52.066,610 2,611 3,612 0.726,613 2.749,614 15,615 2.233,616 10.794,617 34.682,618 2.326,619 1.253,620 3.325,621 3.01,622 3.007,623 1.619,624 1,625 4,626 5.128,627 26.294,628 14.934,629 17.093,630 19.576,631 10.868,632 21.884,633 12.045,634 24.318,635 21.537,636 13.134,637 12.765,638 23.404,639 14.292,640 25.278,641 15.418,642 27.158,643 16.573,644 29.043,645 18.49,646 0.596,647 4.041,648 4.593,649 4.983,650 2,651 1.806,652 9,653 4.007,654 6.19,655 1.806,656 3.826,657 1.678,658 1.308,659 23.062,660 1.048,661 10,662 2.16,663 1,664 9.382,665 11.429,666 6724,667 6.72,668 7.013,669 5.143,670 0.748,671 0.541,672 0.138,673 3.527,674 3.998,675 1.595,676 1.847,677 3.746,678 1.513,679 61.255,680 2.101,681 11,682 1.513,683 1.659,684 1.06,685 1.052,686 0.351,687 2.889,688 3.813,689 77.48,690 77.48,691 0.411,692 0.411,693 1.566,694 1.566,695 23.283,696 4.29,697 4.369,698 5.285,699 2.868,700 4.718,701 7.585,702 2.1,703 3.182,704 4.277,705 4.205,707 0.839,708 5.845,709 7.776,712 1.071,713 1.054,714 4.662,715 4.773,716 4.47,717 0.099,718 0.051,719 -0.129,723 0.868,724 7.776,725 1.558,726 2.028,728 135.208,729 135.208,730 1.39,731 247.193,732 3.323,733 1.958,734 3.05,735 4.221,736 5.481,737 6.78,738 8.098,739 9.428,740 3.434,741 1.958,742 0.981,743 2.475,744 0.073,745 0.052,746 1.066,747 0.013,748 28.869,749 30.287,750 2.06,751 12,752 3.7,753 1.207,754 13.89,755 0.795,756 3.339,757 11.5,758 3.339,759 1,760 4.219,761 1.549,762 10,763 0.82,764 3.071,765 1.914,766 1.593,767 3.114,768 4.564,769 5.969,770 7.348,771 4.376}
{0 CHEMBL1689607,1 1.402,6 5,7 3,8 4.264,9 0.787,10 0.545,11 1.402,12 0.147,13 0.082,14 5.3,18 1,27 110.432,28 110.432,29 58.909,30 0.578,31 5.306,32 1.438,33 4.264,34 2.398,35 4.949,36 7.195,40 0.072,41 3.18,42 3,43 0.5,44 1,45 1,46 92.549,47 0.138,48 1,49 1.222,50 0.222,51 5.18,52 3.18,53 0.456,54 0.077,55 1.367,56 3.24,57 2.348,58 20.465,59 1.412,60 1,61 147.127,62 6.968,63 3.303,64 11.718,65 3.303,66 11.718,67 5.303,68 6.968,69 3.303,70 11.718,71 2,72 3,73 0.03,74 -0.038,75 -0.009,76 5,77 10,78 0.082,79 25.186,80 4.144,81 4.174,82 4.112,83 4.052,84 4.062,85 10.901,86 252.7,87 11.263,88 11.263,89 0.825,90 2.485,91 5.543,92 0.213,93 36.695,94 36.695,95 93.351,96 2.144,97 1.646,98 1.799,99 20.506,100 0.889,101 -0.04,102 3.5,103 0.233,104 2,105 2,106 4,108 1,109 1,110 1,111 1,112 1,113 4.546,114 1.908,115 1.941,116 10.428,117 0.928,118 10.895,119 12.546,120 13.972,121 15.558,122 17.059,123 0.536,124 54.808,125 5.564,126 4.205,127 0.058,128 1.136,129 4.557,130 2.02,131 266.7,132 27.104,133 29.568,134 32.013,135 15.202,136 34.473,137 16.344,138 18.009,139 36.927,140 17.475,141 190.826,142 0.659,143 0.024,144 1.503,145 14.97,146 3.463,147 3.521,148 3.341,149 3.268,150 3.28,151 1.437,152 1.373,153 1.688,154 274.7,155 9.284,156 8.843,157 7.549,158 3.742,159 2.959,160 3,161 3.965,162 2.959,163 17.576,164 4.115,165 4.686,166 4.8,167 10.035,168 49.952,169 5.101,170 3.964,171 3.985,172 5.932,173 3.875,174 3.972,175 3.862,176 1.34,177 9.354,178 14.293,179 10.413,180 15.317,181 3.304,182 16.811,183 16.811,184 16.811,185 16.811,186 16.811,187 15.268,188 9.988,189 17.038,190 3.962,191 1.479,192 55.5,193 2.235,194 1.204,195 0.406,196 0.892,197 -0.03,198 -0.035,199 -0.071,200 -0.027,201 0.884,202 0.207,203 2.356,204 0.701,205 -0.299,206 -0.323,207 -0.659,208 -0.297,209 2.25,210 -0.68,211 -1.417,212 -0.53,213 0.197,214 -0.769,215 15.75,216 7054,217 4.671,218 1137.25,219 14552.1,220 4.592,221 127.558,222 22.988,223 3.332,224 3.332,225 27,226 26,227 11.433,228 5.833,229 38,230 57.333,232 8,233 3.652,234 203.47,235 116.211,236 4.792,237 -0.03,238 -0.299,239 -0.071,240 -0.659,241 -1.417,242 2.235,243 7285,244 10735,245 3.285,246 3.107,247 4.149,248 2.918,249 2.874,250 2.652,251 3.974,252 2.636,253 0.175,254 0.258,255 0.158,256 0.122,257 0.434,258 0.118,259 1.179,260 1.506,261 1.065,262 1.417,263 0.804,264 4.007,265 12.307,266 11.942,267 12.307,268 76.53,269 25.102,270 1.512,271 0.19,272 17.377,273 3.009,274 4.923,275 4.874,276 4.874,277 15,278 360.08,279 1.478,280 1.477,281 1,282 11.373,283 44.102,284 6.471,285 6,286 4.433,287 3.554,290 3.599,291 3.015,292 2.248,293 3.146,294 2.869,295 2.829,296 1.444,297 1.865,298 1.049,299 0.776,300 0.421,301 -0.56,302 -0.546,303 0.568,304 2.071,305 -0.79,306 -1,307 -1.957,308 -0.108,309 -0.188,310 3.85,311 21,313 3.555,314 0.857,315 24.443,316 34,317 1.049,318 7.258,319 -0.56,320 -0.79,321 -1.957,322 3.015,323 2.248,324 41.584,325 3.835,326 3.686,327 3.684,328 4.289,329 1.748,330 1.262,331 1.567,332 0.747,333 1.53,334 8.37,335 8.495,336 8.495,337 138.285,338 158.063,339 329.591,340 1,341 1,342 1,343 4.71,344 1,345 1,346 2,347 1,348 1,349 1,350 4.71,351 18.622,352 20.153,353 21.707,354 23.249,355 7.71,356 4.71,357 2.495,358 1,359 16.454,360 1.808,361 0.872,362 2,363 2,364 60.694,365 1.742,366 4.737,367 4.737,368 2.095,369 2.095,370 119.642,371 0.783,372 5.896,373 3.727,374 79.171,375 104.524,376 104.524,377 58,378 3.399,379 286.7,380 7.711,381 1.76,382 3.877,383 113.001,384 1.603,385 6.948,386 1.992,387 0.208,388 1.965,389 9.381,390 3.576,391 3.519,392 1.228,393 1.831,394 0.835,395 1.843,396 0.825,397 2.997,398 4.264,399 0.835,400 1.843,401 39.905,402 38.821,403 13.273,404 13.273,405 13.273,406 13.273,407 13.273,408 208.234,409 499.85,410 4.917,411 5.154,412 5.334,413 12.996,414 3.65,415 3.717,416 62.487,417 6.47,418 31.798,419 7.38,420 6.005,421 5.123,422 5.112,423 556.317,424 1.417,425 69.562,426 0.898,427 33.126,428 -0.046,429 4.185,430 5.889,432 17.128,433 13.743,434 7.826,435 68.54,436 3.144,437 79.901,438 79.901,439 16.49,440 6.817,441 13.626,442 357.55,443 19.267,444 12.289,445 3.081,446 1.049,447 0.356,448 12.543,449 0.15,450 1064,451 7.705,452 2.205,453 5.188,454 4.028,455 3.91,456 5.885,457 3.956,458 14.713,459 332.475,460 57,461 56.33,462 0.934,463 1.239,464 1.308,465 2.079,466 4.965,467 5.222,468 31,469 7.828,470 9.655,471 0.639,472 7.275,473 19.267,474 0.606,475 9.236,476 -0.368,478 3.035,479 4.079,480 6.082,481 0.116,482 4.098,483 1.982,484 1.163,485 3.519,486 2.444,487 1.413,488 1.869,489 3.348,490 27.281,491 30.233,492 4.528,493 0.661,494 64.076,495 -0.025,496 2.985,497 106.001,498 4.002,499 37,500 1.23,501 3.638,502 4.86,503 5.687,504 18.695,505 4.317,506 1.23,507 40.778,508 39.886,509 0.469,510 5.313,511 6.797,512 128,513 147,514 3.373,515 0.855,516 5.941,517 0.442,518 114.913,519 2,520 4.102,521 5.366,522 32.491,523 2,524 3.817,525 3.965,526 1.354,527 2.539,528 1.354,529 2.539,530 5.796,531 4.516,532 0.893,533 32.869,534 3.652,535 3.652,536 1.318,537 1.989,538 25.48,539 11,540 4.886,541 5.669,542 3.593,543 9.224,544 5,545 4.227,546 4.866,547 3.581,548 6.273,549 3.784,550 3.574,551 1.291,552 1.252,553 3,554 2.295,555 1.306,556 1.695,557 4.116,558 3.146,559 2.175,560 2.175,561 1,562 0.634,563 5,564 2.222,565 4,566 2,567 1,568 1,569 1,570 3.491,571 0.906,572 0.563,573 14,574 4,575 4,576 11,577 2,578 2.687,579 102,580 409.19,581 4.708,582 12.367,583 0.131,584 8.116,585 9.679,586 42.173,587 5.5,588 3,589 325.508,590 318.501,591 296,592 0.824,593 0.17,594 2.111,595 1,596 5.032,597 0.996,598 5.032,599 0.284,600 102.625,601 4.627,602 5.346,603 6.558,604 7.416,605 5.687,606 5.905,607 5.785,608 0.048,609 49.464,610 2,611 3,612 0.757,613 2.749,614 15,615 2.236,616 10.942,617 35.586,618 2.736,619 1.411,620 3.376,621 3.063,622 3.067,623 1.682,625 2,626 4.669,627 21.802,628 15.102,629 17.316,630 19.841,631 10.994,632 22.204,633 12.191,634 24.682,635 21.7,636 13.314,637 12.943,638 23.589,639 14.497,640 25.485,641 15.655,642 27.389,643 16.836,644 29.298,645 18.902,646 0.556,647 4.085,648 4.646,649 5.055,650 2,651 2.073,652 9,653 4.007,654 6.256,655 2.073,656 3.811,657 1.679,658 1.364,659 24.208,660 1.048,661 11,662 2.153,663 1,664 9.332,665 11.454,666 6506,667 6.75,668 6.75,669 5.171,670 0.76,671 0.637,672 0.138,673 3.481,674 3.905,675 1.736,676 1.868,677 3.73,678 1.51,679 64.727,680 2.025,681 11,682 1.556,683 1.69,684 0.982,685 1.042,686 0.347,687 2.936,688 3.766,689 66.62,690 66.62,691 0.528,692 0.528,693 1.493,694 1.493,695 19.782,696 4.304,697 4.369,698 5.296,700 4.718,701 7.65,702 2.117,703 3.269,704 4.277,705 4.159,706 1,707 0.835,708 5.628,709 7.021,712 1.165,713 1.129,714 4.679,715 4.819,716 4.056,717 0.11,718 0.084,719 -0.115,723 0.862,724 7.021,725 1.562,726 2.039,728 110.432,729 110.432,730 1.386,731 294.278,732 3.296,733 1.958,734 3.05,735 4.221,736 5.481,737 6.78,738 8.098,739 9.428,740 3.434,741 1.958,742 1.006,743 2.68,744 0.073,745 0.051,746 1.021,747 0.013,748 24.901,749 31.01,750 2.198,751 12,752 3.7,753 1.126,754 14.087,755 0.779,756 3.195,757 11.5,758 3.195,759 1,760 4.431,761 1.54,762 11,763 0.916,764 2.913,765 1.917,766 1.593,767 3.114,768 4.564,769 5.969,770 7.348,771 4.301}
{0 CHEMBL1689608,1 1.512,6 1,8 4.147,9 0.789,10 0.553,11 1.512,12 0.141,13 0.077,14 7.1,18 1,27 83.956,28 83.956,29 50.512,30 0.567,31 5.185,32 1.412,33 4.147,34 2.398,35 4.844,36 7.018,40 0.065,41 3.093,42 3,43 0.5,44 1,45 1,46 64.603,47 0.14,48 1,49 1.222,50 0.222,51 5.093,52 3.093,53 0.458,54 0.081,55 0.665,56 3.185,57 2.035,58 16.578,59 1.743,60 1,61 135.538,62 6.717,63 3.172,64 10.905,65 3.172,66 10.905,67 5.172,68 6.717,69 3.172,70 10.905,71 5,72 4,73 0.024,74 -0.095,75 0.025,76 1,77 8,78 0.134,79 24.757,80 4.126,81 4.156,82 4.091,83 4.037,84 4.046,85 8.522,86 192.968,87 8.946,88 8.946,89 0.619,90 1.708,91 4.606,92 1.062,93 51.582,94 51.582,95 93.351,96 2.144,97 1.538,98 1.667,99 15.581,100 0.883,101 0.016,102 4.8,103 0.268,104 1,105 1,106 2,108 1,109 1,110 1,111 1,112 1,113 4.105,114 1.827,115 1.811,116 9.855,117 0.845,118 10.645,119 12.308,120 13.691,121 15.268,122 16.734,123 0.417,124 39.662,125 5.374,126 4.134,127 0.054,128 1.135,129 4.551,130 2.014,131 200.968,132 26.279,133 28.68,134 31.059,135 14.721,136 33.452,137 15.848,138 17.336,139 35.838,140 16.961,141 154.762,142 0.606,143 0.007,144 0.618,145 11.649,146 3.234,147 3.328,148 3.084,149 3.003,150 3.002,151 1.206,152 1.117,153 1.474,154 202.968,155 7.053,156 6.815,157 5.76,158 3.335,159 2.177,160 3,161 3.176,162 2.177,163 11.379,164 3.956,165 4.512,166 4.64,167 9.786,168 41.777,169 4.907,170 3.523,171 3.436,172 5.466,173 3.343,174 3.337,175 3.256,176 0.717,177 4.95,178 7.381,179 4.676,180 6.85,181 3.101,182 13.897,183 13.897,184 13.897,185 13.897,186 13.897,187 12.35,188 8.477,189 14.085,190 3.761,191 1.556,192 45.5,193 2.199,194 0.856,195 -0.057,196 0.371,197 -0.587,198 -0.785,199 -1.342,200 -0.554,201 0.61,202 -0.62,203 2,204 0.11,205 -0.889,206 -1,207 -2,208 -0.882,209 1.763,210 -1.281,211 -2.202,212 -0.903,213 -0.052,214 -1,215 13,216 4519,217 4.362,218 737.283,219 8274.38,220 4.311,221 97.479,222 17.615,223 3.135,224 3.135,225 22,226 21,227 7.817,228 4.75,229 27,230 49.167,232 6,233 3.408,234 144.292,235 90.239,236 4.6,237 -0.587,238 -0.889,239 -1.342,240 -2,241 -2.202,242 2.199,243 4616,244 7342,245 3.013,246 2.874,247 3.973,248 2.617,249 2.818,250 2.605,251 3.702,252 2.57,253 0.21,254 0.305,255 0.188,256 0.144,257 0.496,258 0.141,259 0.984,260 1.246,261 0.804,262 1.249,263 0.719,264 3.807,265 10.075,266 9.735,267 10.075,268 62.969,269 21.383,270 1.058,271 0.23,272 11.647,273 2.885,274 4.431,275 4.263,276 4.207,277 11.5,278 273.58,279 1.451,280 1.451,281 2,282 4.068,283 42.029,284 6.262,286 4.594,287 3.491,290 3.587,291 2.84,292 2.211,293 2.84,294 2.822,295 2.131,296 1.397,297 1.089,298 0.622,299 0.401,301 -1,302 -0.948,304 1.378,305 -1,306 -1.4,307 -2.449,308 -0.026,309 -0.103,310 3.584,311 16,313 3.401,314 0.857,315 39.33,316 29,317 0.622,318 6.932,319 -1,320 -1,321 -2.449,322 2.84,323 2.211,324 33.294,325 3.781,326 3.629,327 3.619,328 4.287,329 1.701,330 1.042,331 1.417,332 0.469,333 1.308,334 8.074,335 6.636,336 6.636,337 111.591,338 124.066,339 200.109,340 1,341 1,342 1,343 4.578,344 1,345 1,346 2,347 1,348 1,349 1,350 4.578,351 18.277,352 19.776,353 21.306,354 22.818,355 7.578,356 4.578,357 2.335,358 1,359 10.921,360 1.689,361 0.759,362 3,363 3,364 77.48,365 1.609,366 4.622,367 4.622,368 1.739,369 1.739,370 91.906,371 0.761,372 5.631,373 3.21,374 75.978,375 119.41,376 119.41,377 43,378 3.343,379 202.968,380 5.435,381 1.625,382 3.6,383 86.648,384 1.435,385 6.541,386 1.97,387 0.187,388 1.331,389 7.138,390 3.302,391 3.27,392 0.492,393 0.891,394 -0.058,395 -0.139,396 -0.055,397 2.305,398 4.026,399 -0.058,400 -0.139,401 31.928,402 31.059,403 10.865,404 10.865,405 10.865,406 10.865,407 10.865,408 160.272,409 382.824,410 4.569,411 4.798,412 4.891,413 8.899,414 2.55,415 3.608,416 45.407,417 6.473,418 22.237,419 5.236,420 5.6,421 4.505,422 4.432,423 415.246,424 1.074,425 41.744,426 0.922,427 14.994,428 -0.105,429 3.939,430 5.364,432 6.353,433 9.499,434 5.267,435 46.458,436 2.858,437 63.484,438 63.484,439 12.388,440 6.395,441 11.152,442 287.4,443 15.242,444 8.851,445 2.68,446 0.781,447 0.304,448 11.606,449 0.086,450 586,451 7.841,452 2.341,453 4.702,454 3.253,455 3.174,456 5.163,457 3.062,458 8.439,459 226.477,460 42,461 41.912,462 0.783,463 1.012,464 1.029,465 1.632,466 4.135,467 4.41,468 21,469 7.587,470 9.462,471 0.639,472 5.397,473 15.242,474 0.619,475 5.38,476 -0.864,477 1,478 2.339,479 3.606,480 5.888,481 0.122,482 3.649,483 1.949,484 0.867,485 3.435,486 2.257,487 1.233,488 1.733,489 3.685,490 16.411,491 23.733,492 3.742,493 0.305,494 49.142,495 -0.072,496 2.056,497 83.012,498 3.649,499 29,500 -0.682,501 3.401,502 4.635,503 5.442,504 14.767,505 4.078,506 -0.682,507 32.545,508 31.925,509 0.162,510 5.081,511 6.532,512 102,513 115,514 3.283,515 0.886,516 5.54,517 0.548,518 91.37,519 1,520 3.162,521 3.728,522 20.231,523 3,524 3.586,525 3.667,526 1,527 1.436,528 1,529 1.436,530 5.507,531 3.225,532 0.912,533 25.235,534 2.917,535 2.917,536 1.304,537 1.82,538 22.194,539 1,540 4.912,541 5.519,542 3.423,543 7.274,544 3,545 3.941,546 4.521,547 3.483,548 6.843,549 3.665,550 3.438,551 1.149,552 0.926,553 3,554 1.695,555 0.825,556 1.625,557 3.748,558 3.138,559 2.157,560 2.157,561 1,562 0.59,563 5,564 2.187,565 2,566 1,568 1,569 2,570 3.216,571 0.13,572 0.25,573 7,574 2,575 2,576 6,577 1,578 2.499,579 76,580 279.708,581 4.038,582 9.867,583 0.103,584 7.441,585 7.762,586 33.15,587 4,588 1,589 294.196,590 286.474,591 266,592 0.681,593 0.5,594 2.104,595 1,596 2.981,597 1.003,598 2.981,599 0.249,600 102.625,601 3.732,602 4.331,603 6.293,604 7.13,605 5.407,606 5.602,607 5.606,608 -0.021,609 35.758,610 1,611 1,612 0.473,613 2.743,614 12,615 2.087,616 7.412,617 26.779,618 1.764,619 0.833,620 3.077,621 2.841,622 2.838,623 1.487,624 1,625 1,626 2.854,627 8.146,628 14.541,629 16.713,630 19.187,631 10.487,632 21.498,633 11.677,634 23.918,635 21.125,636 12.758,637 12.491,638 22.992,639 13.92,640 24.868,641 15.042,642 26.749,643 16.196,644 28.636,645 17.798,646 0.653,647 3.807,648 4.324,649 4.612,650 2,651 1.354,652 6,653 3.611,654 5.869,655 1.354,656 3.208,657 1.563,658 1.254,659 16.744,660 1.167,661 8,662 1.986,663 1,664 8.982,665 11.189,666 4376,667 5.386,668 5.386,669 3.965,670 0.65,671 -0.349,672 0.163,673 3.277,674 3.579,675 1.456,676 1.483,677 3.656,678 1.479,679 47.651,680 1.592,681 2,682 1.386,683 1.49,684 1.05,685 0.973,686 0.324,687 2.618,688 2.961,689 77.48,690 77.48,691 -0.309,692 -0.309,693 1.319,694 1.319,695 19.353,696 3.912,697 3.912,698 5.146,699 2.876,700 4.46,701 7.309,702 1.223,703 2.522,704 3.689,705 3.664,707 0.856,708 5.039,709 6.097,712 1.044,713 0.761,714 4.785,715 4.833,716 4.107,717 0.05,718 0.002,719 -0.073,723 0.896,724 6.097,725 1.507,726 2.029,728 83.956,729 83.956,730 1.412,731 188.338,732 3.307,733 1.958,734 3.05,735 4.221,736 5.481,737 6.78,738 8.098,739 9.428,740 3.434,741 1.958,742 -0.07,743 2,744 0.089,745 0.047,746 0.6,747 0.008,748 20.991,749 16.784,750 1.633,751 12,752 3.7,753 1.176,754 13.626,755 0.511,756 3.059,757 11.5,758 3.059,759 1,760 3.881,761 1.513,762 8,763 0.804,764 2.681,765 1.912,766 1.593,767 3.114,768 4.564,769 5.969,770 7.348,771 4.301}
{0 CHEMBL1689609,1 1.415,6 3,7 4,8 4.149,9 0.906,10 0.566,11 1.415,12 0.151,13 0.067,14 5.2,18 1,27 137.486,28 137.486,29 101.079,30 0.568,31 5.192,32 1.431,33 4.149,34 2.398,35 4.844,36 7.018,40 0.049,41 3.095,42 4,43 0.667,44 1,45 1,46 111.984,47 0.15,48 1,49 1.133,50 0.133,51 5.095,52 3.095,53 0.453,54 0.081,55 1.511,56 3.232,57 2.829,58 26.277,59 1.853,61 189.068,62 6.718,63 3.174,64 10.907,65 3.174,66 10.907,67 5.174,68 6.718,69 3.174,70 10.907,71 5,72 5,73 0.022,74 -0.067,75 0.039,76 2,77 12,78 0.032,79 27.72,80 4.129,81 4.16,82 4.094,83 4.04,84 4.049,85 11.974,86 268.114,87 12.306,88 12.306,89 0.808,90 2.272,91 5.759,92 0.823,93 51.582,94 51.582,95 93.351,96 2.144,97 1.617,98 1.843,99 21.132,100 0.939,101 0.038,102 3.4,103 0.231,104 5,105 5,106 5,108 1,109 1,110 1,111 1,112 1,113 4.573,114 1.944,115 1.967,116 10.249,117 0.972,118 10.759,119 12.447,120 13.764,121 15.35,122 16.779,123 0.591,124 52.109,125 5.646,126 4.287,127 -0.002,128 1.126,129 4.751,130 2.028,131 296.643,132 26.351,133 28.738,134 31.105,135 14.931,136 33.489,137 16.045,138 17.483,139 35.867,140 17.136,141 208.014,142 0.593,143 0.02,144 1.607,145 16.818,146 3.44,147 3.485,148 3.351,149 3.308,150 3.312,151 1.49,152 1.451,153 1.707,154 306.253,155 10.104,156 9.801,157 8.235,158 3.687,159 3.14,160 3,161 4.488,162 3.14,163 17.192,164 4.287,165 4.843,166 4.973,167 10.081,168 59.225,169 5.183,170 3.963,171 3.999,172 5.88,173 3.895,174 4.027,175 3.944,176 1.419,177 10.006,178 14.428,179 10.427,180 14.715,181 3.408,182 19.535,183 19.535,184 19.535,185 19.535,186 19.535,187 17.314,188 11.889,189 19.724,190 4.09,191 1.505,192 61.5,193 2.492,194 2.059,195 1,196 1.884,197 0.879,198 0.972,199 1.879,200 0.878,201 1.977,202 0.693,203 3.117,204 1.539,205 0.566,206 0.738,207 1.363,208 0.548,209 2.701,210 0.13,211 0.246,212 0.18,213 0.691,214 -0.298,215 17.5,216 10640,217 4.828,218 1449.96,219 20788.7,220 4.792,221 148.292,222 28.904,223 3.466,224 3.466,225 31,226 29,227 10.567,228 6.528,229 40,230 63.667,232 9,233 4.107,234 238.303,235 134.881,236 4.942,237 0.879,238 0.566,239 1.879,240 1.363,241 0.246,242 2.492,243 10418,244 15831,245 3.328,246 3.157,247 4.138,248 2.961,249 3.001,250 2.834,251 3.978,252 2.829,253 0.149,254 0.217,255 0.134,256 0.102,257 0.352,258 0.1,259 1.231,260 1.562,261 1.061,262 1.417,263 0.964,264 4.143,265 14.042,266 13.711,267 14.042,268 86.721,269 27.721,270 1.598,271 0.233,272 14.238,273 3.06,274 4.898,275 4.843,276 4.912,277 15.167,278 380.8,279 1.46,280 1.46,281 2,282 11.569,283 47.443,284 6.474,285 5,286 4.623,287 3.676,290 3.871,291 3.18,292 2.481,293 3.186,294 2.965,295 2.887,296 1.588,297 1.988,298 1.354,299 1.431,300 1.072,301 0.102,302 0.098,303 0.946,304 2.37,305 -0.308,306 -0.344,307 -0.68,308 0.106,309 0.026,310 3.951,311 24,313 3.738,314 0.857,315 42.515,316 41,317 1.354,318 7.276,319 0.102,320 -0.308,321 -0.68,322 3.18,323 2.481,324 46.542,325 3.932,326 3.868,327 3.859,328 4.55,329 1.894,330 1.313,331 1.614,332 0.69,333 1.588,334 8.436,335 9.71,336 9.71,337 153.924,338 173.898,339 294.278,340 1,341 1,342 1,343 4.578,344 1,345 1,346 2,347 1,348 1,349 1,350 4.578,351 18.323,352 19.803,353 21.332,354 22.834,355 7.578,356 4.578,357 2.725,359 16.738,360 1.845,361 0.995,362 3,363 3,364 77.48,365 1.768,366 4.623,367 4.623,368 2.171,369 2.171,370 136.601,371 0.76,372 5.923,373 3.903,374 78.942,375 119.41,376 119.41,377 60,378 3.528,379 306.253,380 7.725,381 1.832,382 3.97,383 122.963,384 1.662,385 7.11,386 2.016,387 0.188,388 1.645,389 10.188,390 3.669,391 3.622,392 1.401,393 2.022,394 1.057,395 2.526,396 1.015,397 3.247,398 4.38,399 1.057,400 2.526,401 45.271,402 44.356,403 15.309,404 15.309,405 15.309,406 15.309,407 15.309,408 220.835,409 530.598,410 4.938,411 5.172,412 5.264,413 13.029,414 3.628,415 3.782,416 60.322,417 6.473,418 31.911,419 7.284,420 5.958,421 5.079,422 5.125,423 562.945,424 1.362,425 63.012,426 0.943,427 33.565,428 -0.072,429 3.967,430 5.883,432 16.615,433 13.06,434 7.594,435 61.659,436 3.161,437 82.087,438 82.087,439 17.059,440 6.84,441 15.605,442 391.56,443 20.64,444 11.821,445 3.143,446 0.903,447 0.288,448 12.759,449 0.271,450 1676,451 7.695,452 2.195,453 5.159,454 4.093,455 4.015,456 5.962,457 4.039,458 14.656,459 339.763,460 58,461 57.447,462 1.018,463 1.239,464 1.308,465 2.106,466 4.973,467 5.214,468 29,469 7.751,470 9.678,471 0.639,472 7.481,473 20.64,474 0.603,475 9.939,476 0.493,478 2.692,479 4.239,480 6.097,481 0.124,482 4.094,483 2.007,484 1.148,485 3.661,486 2.605,487 1.59,488 1.726,489 3.586,490 26.187,491 31.733,492 4.301,493 0.607,494 73.185,495 -0.044,496 3.268,497 116.651,498 4.046,499 41,500 2.136,501 3.738,502 4.977,503 5.796,504 20.759,505 4.419,506 2.136,507 46.078,508 45.257,509 0.469,510 5.425,511 6.889,512 144,513 164,514 3.518,515 0.866,516 6.118,517 0.603,518 114.913,519 1,520 4.158,521 5.501,522 31.674,523 7,524 3.906,525 4.052,526 1.458,527 2.937,528 1.458,529 2.937,530 5.873,531 4.982,532 0.958,533 35.342,534 4.002,535 4.002,536 1.312,537 2.108,538 26.348,539 11,540 4.913,541 5.562,542 3.635,543 10.266,544 4,545 4.25,546 4.835,547 3.715,548 6.751,549 3.841,550 3.629,551 1.282,552 1.299,553 4,554 2.952,555 1.925,556 1.726,557 4.159,558 3.218,559 2.224,560 2.224,561 1,562 0.588,563 6,564 2.489,565 2,566 1,567 1,568 1,569 2,570 3.598,571 1.295,572 0.423,573 9,574 4,575 2,576 8,577 1,578 2.844,579 120,580 373.877,581 5.665,582 13.867,583 0.209,584 8.444,585 10.773,586 46.527,587 5,588 2,589 368.196,590 364.203,591 340,592 1.856,593 0.17,594 2.213,595 1,596 4.985,597 1.026,598 4.985,599 0.251,600 102.625,601 4.663,602 5.945,603 6.645,604 7.486,605 5.753,606 5.948,607 5.886,608 -0.069,609 61.161,610 3,611 4,612 0.816,613 2.719,614 17,615 2.26,616 11.601,617 37.824,618 1.951,619 1.46,620 3.412,621 3.122,622 3.12,623 1.627,624 1,625 5,626 5.244,627 27.497,628 14.767,629 16.888,630 19.335,631 10.747,632 21.612,633 11.93,634 24.012,635 21.379,636 12.978,637 12.74,638 23.228,639 14.127,640 25.085,641 15.223,642 26.949,643 16.363,644 28.819,645 17.802,646 0.585,647 4.12,648 4.648,649 4.997,650 2,651 1.747,652 8,653 3.892,654 6.185,655 1.747,656 3.983,657 1.707,658 1.376,659 22.98,660 1.207,661 17,662 2.228,663 1,664 10.406,665 11.468,666 10947,667 7.795,668 7.795,669 5.909,670 0.573,671 1.339,672 0.12,673 3.588,674 3.94,675 1.294,676 1.287,677 3.852,678 1.486,679 65.311,680 2.339,681 15,682 1.614,683 1.682,684 1.09,685 0.986,686 0.329,687 2.957,688 3.868,689 77.48,690 77.48,691 1,692 1,693 1.623,694 1.623,695 25.502,696 4.407,697 4.477,698 5.422,699 2.948,700 4.663,701 7.667,702 2.5,703 3.581,704 4.454,705 4.511,707 0.861,708 5.466,709 6.942,712 0.907,713 0.947,714 5.115,715 5.28,716 4.487,717 0.006,718 -0.048,719 -0.083,723 0.901,724 6.942,725 1.501,726 2.068,728 137.486,729 137.486,730 1.468,731 258.964,732 3.337,733 1.958,734 3.05,735 4.221,736 5.481,737 6.78,738 8.098,739 9.428,740 3.434,741 1.958,742 1.5,743 3.144,744 0.063,745 0.052,746 1.33,747 0.008,748 25.855,749 29.349,750 2.222,751 18,752 4.248,753 1.194,754 13.865,755 0.63,756 3.448,757 17.5,758 3.448,759 1,760 4.443,761 1.501,762 16,763 0.835,764 3.029,765 1.915,766 1.593,767 3.114,768 4.564,769 5.969,770 7.348,771 4.302}
{0 CHEMBL1689610,1 1.545,6 3,7 3,8 4.163,9 0.931,10 0.549,11 1.545,12 0.124,13 0.076,14 5.5,18 1,27 128.976,28 128.976,29 95.103,30 0.575,31 5.206,32 1.416,33 4.163,34 2.398,35 4.844,36 7.018,40 0.052,41 3.101,42 4,43 0.667,44 1,45 1,46 102.508,47 0.14,48 1,49 1.133,50 0.133,51 5.101,52 3.101,53 0.45,54 0.078,55 1.404,56 3.387,57 2.849,58 26.997,59 1.711,61 180.558,62 6.728,63 3.19,64 10.958,65 3.19,66 10.958,67 5.19,68 6.728,69 3.19,70 10.958,71 5,72 5,73 0.025,74 -0.076,75 0.04,76 2,77 11,78 0.079,79 25.186,80 4.132,81 4.159,82 4.147,83 4.047,84 4.055,85 11.914,86 263.71,87 12.598,88 13.006,89 0.792,90 1.997,91 5.775,92 0.857,93 51.582,94 51.582,95 93.351,96 2.144,97 1.556,98 1.802,99 21.411,100 0.743,101 0.042,102 3.6,103 0.255,104 6,105 4,106 5,108 1,109 1,110 1,111 1,112 1,113 4.54,114 1.935,115 1.962,116 10.279,117 0.812,118 10.83,119 12.504,120 13.827,121 15.409,122 16.842,123 0.57,124 52.105,125 5.65,126 4.446,127 0.049,128 1.124,129 4.76,130 2.011,131 283.71,132 26.416,133 28.807,134 31.175,135 14.978,136 33.563,137 16.094,138 17.576,139 35.944,140 17.189,141 208.142,142 0.584,143 0.006,144 1.492,145 16.628,146 3.447,147 3.482,148 3.491,149 3.316,150 3.321,151 1.46,152 1.419,153 1.691,154 286.465,155 9.734,156 9.402,157 7.876,158 4.196,159 3.896,160 3,161 4.523,162 3.896,163 16.276,164 4.314,165 4.87,166 5.001,167 10.143,168 59.817,169 5.173,170 3.959,171 3.989,172 5.91,173 3.908,174 4.004,175 3.941,176 1.316,177 9.483,178 12.77,179 10.243,180 13.654,181 3.408,182 19.275,183 19.275,184 19.275,185 19.275,186 19.275,187 17.029,188 11.583,189 19.601,190 4.088,191 1.47,192 61.833,193 2.414,194 2.068,195 1,196 1.785,197 0.783,198 0.937,199 1.767,200 0.776,201 1.883,202 0.708,203 2.992,204 1.337,205 0.392,206 0.548,207 0.963,208 0.361,209 2.588,210 -0.104,211 -0.216,212 0.247,213 0.705,214 -0.263,215 17.75,216 10248,217 4.829,218 1442.28,219 20261.3,220 4.78,221 147.552,222 27.429,223 3.466,224 3.466,225 31,226 29,227 10.126,228 6.444,229 41,230 65.944,232 8,233 4.031,234 242.799,235 134.881,236 4.956,237 0.783,238 0.392,239 1.767,240 0.963,241 -0.216,242 2.414,243 10103,244 16567,245 3.273,246 3.064,247 4.285,248 2.906,249 2.945,250 2.772,251 3.98,252 2.767,253 0.15,254 0.217,255 0.134,256 0.103,257 0.353,258 0.1,259 1.171,260 1.505,261 1.018,262 1.417,263 0.866,264 4.143,265 13.936,266 13.296,267 14.224,268 89.26,269 27.544,270 1.496,271 0.236,272 15.909,273 3.009,274 4.841,275 4.787,276 4.847,277 15.5,278 378.71,279 1.479,280 1.472,281 2,282 11.524,283 49.789,284 6.619,285 6,286 4.795,287 3.704,290 3.806,291 3.255,292 2.729,293 3.222,294 3.079,295 2.961,296 1.786,297 2.094,298 1.384,299 1.185,300 0.821,301 -0.087,302 -0.071,303 0.941,304 2.434,305 -0.274,306 -0.3,307 -0.617,308 0.015,309 0.018,310 3.97,311 23,313 3.738,314 0.857,315 46.016,316 41,317 1.384,318 7.326,319 -0.087,320 -0.274,321 -0.617,322 3.255,323 2.729,324 47.245,325 3.932,326 3.866,327 3.859,328 4.648,329 1.891,330 1.259,331 1.55,332 0.667,333 1.528,334 8.479,335 9.743,336 10.005,337 171.443,338 186.657,339 258.964,340 1,341 1,342 1,343 4.599,344 1,345 1,346 2,347 1,348 1,349 1,350 4.599,351 18.387,352 19.87,353 21.402,354 22.908,355 7.599,356 4.599,357 2.85,359 15.505,360 1.816,361 0.899,362 3,363 3,364 77.48,365 1.763,366 4.639,367 4.639,368 2.214,369 2.214,370 134.094,371 0.738,372 5.934,373 4.025,374 76.407,375 119.41,376 119.41,377 57,378 3.634,379 286.465,380 7.971,381 1.764,382 3.961,383 126.771,384 1.621,385 7.296,386 2,387 0.19,388 1.741,389 10.165,390 3.646,391 3.603,392 1.444,393 2.008,394 1.039,395 2.501,396 1.002,397 3.247,398 4.375,399 1.039,400 2.501,401 45.837,402 43.911,403 15.309,404 15.309,405 15.309,406 15.309,407 15.309,408 219.576,409 527.525,410 4.886,411 5.103,412 5.2,413 11.87,414 3.358,415 3.768,416 59.85,417 6.473,418 32.195,419 7.105,420 5.96,421 4.993,422 5.048,423 558.27,424 1.233,425 65.796,426 0.945,427 32.36,428 -0.122,429 4.089,430 5.975,432 15.822,433 11.389,434 6.777,435 63.24,436 3.154,437 84.967,438 84.967,439 17.409,440 7.072,441 15.871,442 411.97,443 21.303,444 10.496,445 3.21,446 0.916,447 0.32,448 12.775,449 0.274,450 1579,451 7.774,452 2.274,453 5.089,454 4.07,455 3.99,456 5.906,457 4.037,458 13.507,459 317.975,460 55,461 54.887,462 0.934,463 1.239,464 1.268,465 2.157,466 4.902,467 5.131,468 26,469 7.841,470 9.735,471 0.639,472 7.346,473 20.803,474 0.612,475 9.625,476 0.397,478 2.877,479 4.661,480 6.24,481 0.119,482 4.077,483 1.994,484 1.146,485 3.624,486 2.607,487 1.562,488 1.52,489 3.784,490 26.578,491 31.519,492 4.243,493 0.585,494 72.087,495 -0.054,496 3.29,497 116.854,498 4.042,499 42,500 2.136,501 3.761,502 4.99,503 5.814,504 20.504,505 4.443,506 2.136,507 46.629,508 45.639,509 0.292,510 5.442,511 6.919,512 146,513 167,514 3.479,515 0.801,516 6.068,517 0.603,518 114.913,519 2,520 4.153,521 5.084,522 31.935,523 8,524 3.99,525 4.036,526 1.583,527 3.041,528 1.583,529 3.041,530 5.878,531 4.994,532 0.91,533 34.643,534 4.772,535 4.772,536 1.307,537 2.228,538 26.161,539 12,540 5.001,541 5.57,542 3.627,543 9.949,544 5,545 4.2,546 4.775,547 3.673,548 7.49,549 3.83,550 3.616,551 1.228,552 1.218,553 3,554 2.009,555 1.892,556 1.726,557 4.148,558 3.285,559 2.365,560 2.365,561 1,562 0.6,563 5,564 2.405,565 2,566 1,567 1,568 1,569 2,570 3.747,571 1.212,572 0.512,573 7,574 4,575 2,576 7,577 1,578 2.844,579 120,580 377.712,581 5.549,582 14.081,583 0.223,584 8.446,585 10.756,586 47.106,587 6,588 2,589 398.399,590 422.284,591 392,592 2.124,593 0.17,594 2.21,595 1,596 5.185,597 1.037,598 5.185,599 0.245,600 102.625,601 4.708,602 5.845,603 6.676,604 7.525,605 5.79,606 5.994,607 5.984,608 -0.053,609 52.191,610 2,611 3,612 0.868,613 2.719,614 18,615 2.307,616 11.287,617 36.921,618 2.139,619 1.375,620 3.36,621 3.059,622 3.053,623 1.625,624 1,625 4,626 5.452,627 29.724,628 14.832,629 16.94,630 19.397,631 10.822,632 21.67,633 12.002,634 24.075,635 21.426,636 13.057,637 12.78,638 23.273,639 14.207,640 25.129,641 15.309,642 26.991,643 16.451,644 28.86,645 17.858,646 0.624,647 4.077,648 4.599,649 4.945,650 2,651 1.953,652 9,653 4.007,654 6.216,655 1.953,656 3.984,657 1.701,658 1.308,659 21.177,660 1.216,661 16,662 2.299,663 1,664 10.499,665 11.534,666 11388,667 7.853,668 8.073,669 6.249,670 0.599,671 1.262,672 0.121,673 3.634,674 4.03,675 1.334,676 1.47,677 3.861,678 1.504,679 61.84,680 2.359,681 16,682 1.577,683 1.669,684 1.088,685 0.984,686 0.328,687 2.905,688 3.969,689 77.48,690 77.48,691 1,692 1,693 1.677,694 1.677,695 26.468,696 4.511,697 4.605,698 5.47,699 2.909,700 4.783,701 7.68,702 2.5,703 3.56,704 4.564,705 4.575,707 0.859,708 5.507,709 6.912,712 0.962,713 0.97,714 5.158,715 5.208,716 4.582,717 0.042,718 -0.014,719 -0.089,723 0.901,724 6.912,725 1.52,726 2.058,728 168.125,729 168.125,730 1.47,731 223.651,732 3.358,733 1.958,734 3.05,735 4.221,736 5.481,737 6.78,738 8.098,739 9.428,740 3.434,741 1.958,742 1.5,743 3.16,744 0.063,745 0.05,746 1.345,747 0.01,748 29.429,749 30.774,750 2.232,751 18,752 4.248,753 1.175,754 13.906,755 0.736,756 3.477,757 17.5,758 3.477,759 1,760 4.237,761 1.524,762 13,763 0.757,764 3.012,765 1.918,766 1.593,767 3.114,768 4.564,769 5.969,770 7.348,771 4.364}
{0 CHEMBL1689611,1 1.523,6 3,7 4,8 4.195,9 0.907,10 0.555,11 1.523,12 0.126,13 0.069,14 5.2,18 1,27 131.511,28 131.511,29 95.103,30 0.573,31 5.239,32 1.414,33 4.195,34 2.398,35 4.844,36 7.034,40 0.05,41 3.114,42 4,43 0.667,44 1,45 1,46 102.508,47 0.15,48 1,49 1.133,50 0.133,51 5.114,52 3.114,53 0.452,54 0.079,55 1.508,56 3.241,57 2.847,58 27.215,59 1.724,61 183.092,62 6.819,63 3.231,64 11.254,65 3.231,66 11.254,67 5.231,68 6.819,69 3.231,70 11.254,71 4,72 6,73 0.024,74 -0.07,75 0.038,76 2,77 11,78 0.042,79 27.72,80 4.133,81 4.159,82 4.169,83 4.049,84 4.057,85 12.366,86 276.253,87 12.834,88 13.204,89 0.808,90 2.113,91 5.792,92 0.834,93 51.582,94 51.582,95 93.351,96 2.144,97 1.572,98 1.841,99 22.388,100 0.759,101 0.039,102 3.4,103 0.249,104 5,105 5,106 4,108 1,109 1,110 1,111 1,112 1,113 4.559,114 1.944,115 1.967,116 10.315,117 0.954,118 10.9,119 12.575,120 13.924,121 15.51,122 16.963,123 0.582,124 54.952,125 5.677,126 4.364,127 0.022,128 1.125,129 4.754,130 2.013,131 300.253,132 26.687,133 29.106,134 31.504,135 15.001,136 33.921,137 16.119,138 17.724,139 36.33,140 17.218,141 217.234,142 0.581,143 0.007,144 1.593,145 17.3,146 3.444,147 3.484,148 3.496,149 3.319,150 3.321,151 1.489,152 1.451,153 1.706,154 306.253,155 10.24,156 9.903,157 8.294,158 4.209,159 3.771,160 3,161 4.67,162 3.771,163 17.466,164 4.327,165 4.895,166 5.014,167 10.162,168 61.166,169 5.203,170 4.017,171 4.028,172 5.951,173 3.928,174 4.048,175 3.965,176 1.404,177 10.381,178 14.446,179 10.67,180 14.558,181 3.44,182 20.035,183 20.035,184 20.035,185 20.035,186 20.035,187 17.769,188 12.051,189 20.333,190 4.121,191 1.529,192 63.833,193 2.494,194 2.125,195 1,196 1.891,197 0.888,198 0.987,199 1.886,200 0.883,201 2.044,202 0.99,203 3.131,204 1.617,205 0.676,206 0.886,207 1.617,208 0.619,209 2.748,210 0.229,211 0.464,212 0.321,213 0.717,214 -0.147,215 18.25,216 11479,217 4.877,218 1566.4,219 22910.1,220 4.831,221 154.962,222 30.587,223 3.497,224 3.497,225 32,226 30,227 10.626,228 6.722,229 43,230 67.444,232 9,233 4.14,234 251.921,235 141.207,236 4.977,237 0.888,238 0.676,239 1.886,240 1.617,241 0.464,242 2.494,243 11288,244 18260,245 3.328,246 3.158,247 4.283,248 2.966,249 3.008,250 2.87,251 4.124,252 2.855,253 0.146,254 0.213,255 0.131,256 0.101,257 0.352,258 0.097,259 1.231,260 1.562,261 1.061,262 1.417,263 0.964,264 4.174,265 14.452,266 13.833,267 14.741,268 92.361,269 28.46,270 1.574,271 0.228,272 16.284,273 3.059,274 4.906,275 4.85,276 4.915,277 16,278 396.01,279 1.473,280 1.468,281 2,282 12.003,283 51.476,284 6.561,285 5,286 4.763,287 3.695,290 3.878,291 3.337,292 2.554,293 3.225,294 3.032,295 2.933,296 1.675,297 2.101,298 1.41,299 1.455,300 1.134,301 0.192,302 0.171,303 1.173,304 2.449,305 -0.183,306 -0.226,307 -0.425,308 0.036,309 0.021,310 4.007,311 24,313 3.761,314 0.857,315 46.016,316 42,317 1.41,318 7.354,319 0.192,320 -0.183,321 -0.425,322 3.337,323 2.554,324 48.659,325 3.932,326 3.868,327 3.859,328 4.627,329 1.894,330 1.313,331 1.604,332 0.684,333 1.588,334 8.507,335 10.189,336 10.548,337 175.443,338 194.1,339 282.506,340 1,341 1,342 1,343 4.652,344 1,345 1,346 2,347 1,348 1,349 1,350 4.652,351 18.516,352 20.016,353 21.557,354 23.078,355 7.652,356 4.652,357 2.846,359 16.764,360 1.843,361 0.994,362 3,363 3,364 77.48,365 1.768,366 4.678,367 4.678,368 2.22,369 2.22,370 140.811,371 0.732,372 5.975,373 3.977,374 78.942,375 119.41,376 119.41,377 60,378 3.594,379 306.253,380 8.249,381 1.83,382 4.001,383 129.898,384 1.661,385 7.196,386 2.001,387 0.192,388 1.668,389 10.671,390 3.69,391 3.644,392 1.444,393 2.134,394 1.194,395 2.805,396 1.096,397 3.247,398 4.4,399 1.194,400 2.805,401 47.128,402 45.247,403 15.776,404 15.776,405 15.776,406 15.776,407 15.776,408 229.168,409 550.93,410 4.947,411 5.171,412 5.262,413 12.821,414 3.615,415 3.782,416 72.196,417 6.473,418 34.583,419 7.607,420 6.008,421 5.078,422 5.124,423 584.347,424 1.359,425 70.836,426 0.943,427 35.538,428 -0.097,429 4.059,430 5.925,432 16.589,433 12.32,434 7.325,435 65.414,436 3.196,437 88.363,438 88.363,439 18.116,440 6.995,441 16.307,442 426,443 22.01,444 10.997,445 3.216,446 0.955,447 0.309,448 12.792,449 0.291,450 1794,451 7.748,452 2.248,453 5.158,454 4.107,455 4.03,456 5.984,457 4.071,458 14.724,459 339.763,460 58,461 57.771,462 1.018,463 1.239,464 1.308,465 2.202,466 4.98,467 5.213,468 28,469 7.88,470 9.773,471 0.639,472 7.945,473 21.51,474 0.608,475 10.47,476 0.585,478 2.741,479 4.346,480 6.213,481 0.121,482 4.146,483 1.994,484 1.148,485 3.661,486 2.63,487 1.605,488 1.422,489 3.745,490 28.639,491 32.819,492 4.359,493 0.607,494 75.227,495 -0.036,496 3.529,497 121.455,498 4.089,499 43,500 2.136,501 3.784,502 5.017,503 5.844,504 21.32,505 4.466,506 2.136,507 47.754,508 46.977,509 0.469,510 5.468,511 6.944,512 150,513 172,514 3.519,515 0.8,516 6.124,517 0.583,518 114.913,519 2,520 4.19,521 5.435,522 34.782,523 8,524 4.015,525 4.082,526 1.5,527 3.138,528 1.5,529 3.138,530 5.899,531 5.374,532 0.939,533 36.17,534 4.131,535 4.131,536 1.312,537 2.134,538 26.362,539 10,540 5.014,541 5.618,542 3.635,543 10.647,544 5,545 4.25,546 4.834,547 3.715,548 7.345,549 3.841,550 3.63,551 1.282,552 1.283,553 4,554 2.869,555 1.939,556 1.734,557 4.199,558 3.359,559 2.435,560 2.435,561 1,562 0.604,563 5,564 2.489,565 2,566 1,567 1,568 1,569 2,570 3.806,571 1.391,572 0.454,573 9,574 4,575 2,576 8,577 1,578 3.005,579 126,580 401.254,581 5.721,582 14.581,583 0.259,584 8.542,585 11.138,586 48.551,587 5.5,588 2,589 402.399,590 426.223,591 396,592 2.208,593 0.17,594 2.221,595 1,596 5.191,597 1.02,598 5.191,599 0.254,600 102.625,601 4.664,602 6.104,603 6.701,604 7.55,605 5.814,606 6.019,607 5.958,608 -0.062,609 62.482,610 3,611 4,612 0.872,613 2.719,614 18,615 2.336,616 12.018,617 38.682,618 2.139,619 1.451,620 3.412,621 3.122,622 3.12,623 1.626,624 1,625 7,626 5.908,627 34.907,628 14.96,629 17.107,630 19.583,631 10.9,632 21.887,633 12.086,634 24.318,635 21.566,636 13.156,637 12.799,638 23.427,639 14.315,640 25.296,641 15.431,642 27.172,643 16.585,644 29.054,645 18.49,646 0.611,647 4.125,648 4.654,649 5.008,650 2,651 1.806,652 9,653 4.007,654 6.23,655 1.806,656 4.035,657 1.707,658 1.376,659 22.861,660 1.192,661 16,662 2.238,663 1,664 10.541,665 11.56,666 12359,667 8.118,668 8.412,669 6.211,670 0.575,671 1.465,672 0.117,673 3.664,674 4.107,675 1.177,676 1.236,677 3.855,678 1.492,679 65.255,680 2.383,681 15,682 1.614,683 1.681,684 1.107,685 1,686 0.333,687 2.962,688 3.986,689 77.48,690 77.48,691 1,692 1,693 1.657,694 1.657,695 29.003,696 4.477,697 4.564,698 5.48,699 2.885,700 4.783,701 7.7,702 2.5,703 3.62,704 4.564,705 4.595,707 0.861,708 5.845,709 7.774,712 0.872,713 0.944,714 5.177,715 5.28,716 4.64,717 0.037,718 -0.024,719 -0.085,723 0.901,724 7.774,725 1.517,726 2.067,728 170.659,729 170.659,730 1.466,731 247.193,732 3.365,733 1.958,734 3.05,735 4.221,736 5.481,737 6.78,738 8.098,739 9.428,740 3.434,741 1.958,742 1.5,743 3.218,744 0.061,745 0.053,746 1.361,747 0.01,748 29.978,749 31.822,750 2.229,751 18,752 4.248,753 1.188,754 13.927,755 0.72,756 3.448,757 17.5,758 3.448,759 1,760 4.334,761 1.521,762 15,763 0.835,764 3.161,765 1.916,766 1.593,767 3.114,768 4.564,769 5.969,770 7.348,771 4.357}
{0 CHEMBL1689612,1 1.669,6 2,7 2,8 4.16,9 0.959,10 0.608,11 1.669,12 -0.01,13 0.043,14 8.7,18 1,27 113.552,28 113.552,29 86.567,30 0.578,31 5.205,32 1.383,33 4.16,34 2.398,35 4.844,36 7.018,40 0.051,41 3.099,42 6,43 0.5,44 1,45 1,46 84.429,47 0.122,48 2,49 1.211,50 0.211,51 5.099,52 3.099,53 0.439,54 0.077,55 0.954,56 3.406,57 2.96,58 26.865,59 0.963,60 1,61 181.92,62 6.727,63 3.188,64 10.956,65 3.188,66 10.956,67 5.188,68 6.727,69 3.188,70 10.956,71 7,72 4,73 0.023,74 -0.115,75 0.053,76 5,77 11,78 -0.04,79 6.746,80 4.132,81 4.16,82 4.15,83 4.049,84 4.056,85 11.242,86 222.432,87 12.244,88 13.06,89 0.645,90 1.558,91 4.079,92 0.917,93 68.367,94 68.367,95 110.069,96 2.144,97 1.689,98 1.703,99 19.062,100 0.653,101 0.056,102 2.2,103 0.282,104 5,105 1,106 1,108 1,109 1,110 1,111 1,112 1,113 4.442,114 1.873,115 1.88,116 10.079,117 0.864,118 11.264,119 12.937,120 14.299,121 15.878,122 17.326,123 0.291,124 42.925,125 5.572,126 4.468,127 -0.106,128 1.118,129 4.707,130 1.993,131 244.084,132 26.722,133 29.109,134 31.47,135 15.175,136 33.85,137 16.301,138 17.826,139 36.22,140 17.407,141 182.393,142 0.739,143 -0.004,144 0.865,145 16.112,146 3.424,147 3.462,148 3.474,149 3.31,150 3.304,151 1.421,152 1.379,153 1.562,154 248.084,155 8.871,156 8.64,157 7.116,158 4.201,159 3.857,160 4,161 4.378,162 3.857,163 11.067,164 4.44,165 5.098,166 5.127,167 10.296,168 63.202,169 5.101,170 3.873,171 3.867,172 5.622,173 3.752,174 3.758,175 3.62,176 1.022,177 8.39,178 10.636,179 7.881,180 10.307,181 3.374,182 19.068,183 19.068,184 19.068,185 19.068,186 19.068,187 16.339,188 11.384,189 19.627,190 4.074,191 1.755,192 59.667,193 2.374,194 2.1,195 0.844,196 1.681,197 0.727,198 0.941,199 1.707,200 0.686,201 1.615,202 0.622,203 2.823,204 1.241,205 0.309,206 0.394,207 0.709,208 0.28,209 2.483,210 -0.065,211 -0.129,212 0.265,213 0.62,214 -0.164,215 18.25,216 11780,217 4.788,218 1437.38,219 20518.4,220 4.748,221 144.583,222 24.413,223 3.466,224 3.466,225 31,226 28,227 8.136,228 6.139,229 43,230 62.722,232 6,233 4.142,234 233.825,235 134.606,236 4.992,237 0.727,238 0.309,239 1.707,240 0.709,241 -0.129,242 2.374,243 10992,244 19718,245 3.203,246 3.005,247 4.203,248 2.867,249 2.89,250 2.749,251 4.067,252 2.74,253 0.15,254 0.217,255 0.134,256 0.103,257 0.353,258 0.1,259 1.061,260 1.403,261 0.95,262 1.187,263 0.832,264 4.143,265 13.614,266 12.654,267 14.192,268 90.43,269 27.439,270 1.268,271 0.274,272 12.365,273 2.954,274 4.601,275 4.552,276 4.459,277 14,278 335.63,279 1.493,280 1.481,281 4,282 6.909,283 34.652,284 6.929,285 4,286 4.835,287 3.706,290 3.769,291 3.242,292 2.752,293 3.299,294 3.095,295 3,296 1.718,297 2.22,298 1.511,299 1.204,300 0.843,301 -0.055,302 -0.045,303 1.151,304 2.445,305 -0.236,306 -0.31,307 -0.559,308 -0.043,309 0.03,310 4.06,311 21,313 3.773,314 1,315 62.852,316 42.5,317 1.511,318 7.385,319 -0.055,320 -0.236,321 -0.559,322 3.242,323 2.752,324 47.06,325 4.065,326 3.996,327 4,328 4.669,329 1.913,330 1.129,331 1.357,332 0.483,333 1.398,334 8.58,335 10.187,336 10.711,337 188.136,338 202.838,339 153.024,340 1,341 1,342 1,343 4.599,344 2,345 1,346 4,347 1,348 1,349 1,350 4.599,351 18.866,352 20.351,353 21.875,354 23.377,355 7.599,356 4.599,357 2.848,359 10.985,360 1.723,361 0.707,362 3,363 3,364 77.48,365 1.673,366 4.638,367 4.638,368 1.98,369 1.98,370 120.577,371 0.837,372 5.774,373 3.722,374 51.509,375 111.051,376 111.051,377 49,378 3.676,379 248.084,380 7.286,381 1.637,382 3.912,383 130.966,384 1.517,385 7.089,386 2.006,387 0.169,388 1.696,389 9.654,390 3.564,391 3.541,392 1.442,393 2.18,394 1.228,395 2.762,396 1.165,397 3.411,398 4.351,399 1.228,400 2.762,401 46.282,402 42.869,403 15.33,404 15.33,405 15.33,406 15.33,407 15.33,408 201.201,409 482.691,410 4.686,411 4.877,412 4.884,413 7.833,414 2.696,415 3.67,416 36.216,417 5.058,418 25.817,419 5.947,420 5.772,421 4.781,422 4.711,423 479.467,424 1.142,425 42.833,426 1.007,427 22.857,429 4.225,430 5.588,432 8.899,433 6.82,434 4.43,435 42.054,436 3.152,437 76.787,438 76.787,439 16.427,440 7.284,441 16.328,442 413.33,443 20.51,444 9.928,445 2.901,446 0.759,447 0.325,449 0.137,450 1154,451 7.74,452 2.24,453 4.824,454 3.646,455 3.496,456 5.346,457 3.405,458 10.921,459 254.084,460 46,461 46.451,462 0.896,463 1.072,464 1.103,465 1.767,466 4.354,467 4.599,468 18,469 8.199,470 10.097,471 0.4,472 5.713,473 19.51,474 0.652,475 8.52,476 0.389,478 2.829,479 4.707,480 6.608,481 0.115,482 3.97,483 2.001,484 1.137,485 3.489,486 2.674,487 1.618,488 3.587,489 3.965,490 21.249,491 28.738,492 3.24,493 0.358,494 64.641,495 0.049,496 3.465,497 114.316,498 3.982,499 43,500 2.25,501 3.784,502 5.004,503 5.855,504 19.599,505 4.466,506 2.25,507 46.431,508 45.902,509 0.222,510 5.46,511 6.971,512 148,513 174,514 3.385,515 0.843,516 5.343,517 0.732,518 66.226,520 3.546,521 3.687,522 22.623,523 1,524 4.053,525 3.96,526 1.625,527 3.53,528 1.625,529 3.53,530 5.861,531 4.955,532 1.054,533 31.67,534 4.773,535 4.773,536 1.248,537 2.302,538 18.755,539 1,540 4.997,541 5.511,542 3.514,543 8.393,544 2,545 4.052,546 4.578,547 3.529,548 8.985,549 3.74,550 3.511,551 1.168,552 1.051,553 3,554 2.247,555 2.035,556 1.702,557 4.058,558 3.258,559 2.343,560 2.343,561 1,562 0.587,563 4,564 2.169,570 3.716,571 1.043,572 0.202,576 3,578 2.954,579 106,580 297.547,581 5.44,582 13.862,583 0.148,584 8.27,585 10.286,586 47.275,587 5,589 418.512,590 474.231,591 442,592 3.072,593 0.17,594 2.123,596 5.297,597 0.983,598 5.297,599 0.212,600 94.265,601 4.814,602 4.272,603 6.735,604 7.605,605 5.832,606 6.047,607 6.324,608 -0.064,609 39.376,610 1,611 1,612 0.761,613 2.967,614 21,615 2.272,616 8.853,617 33.284,618 2.201,619 1.117,620 3.287,621 2.969,622 2.987,623 1.57,624 1,625 8,626 5.035,627 25.354,628 15.081,629 17.222,630 19.691,631 11,632 21.975,633 12.193,634 24.383,635 21.653,636 13.27,637 12.944,638 23.515,639 14.43,640 25.384,641 15.545,642 27.259,643 16.694,644 29.138,645 17.854,646 0.67,647 3.945,648 4.433,649 4.674,650 1,651 1.916,652 9,653 4.007,654 6.192,655 1.916,656 3.464,657 1.612,658 1.203,659 13.259,660 1.384,661 11,662 2.628,664 12.534,665 11.719,666 27226,667 8.707,668 9.161,669 7.196,670 0.39,671 1.295,672 0.106,673 3.667,674 4.094,675 0.916,676 1.041,677 4.094,678 1.498,679 51.412,680 2.473,681 5,682 1.475,683 1.575,684 1.039,685 0.934,686 0.311,687 2.869,688 3.438,689 73.3,690 73.3,691 0.958,692 0.958,693 1.737,694 1.737,695 29.124,696 4.554,697 4.575,698 5.761,699 2.927,700 5.007,701 7.702,702 2.573,703 3.631,704 4.443,705 4.331,707 0.911,708 5.509,709 6.911,712 1.013,713 0.862,714 5.306,715 5.393,716 4.522,717 0.006,718 -0.02,719 -0.077,723 0.976,724 6.911,725 1.525,726 2.092,728 191.85,729 191.85,730 1.635,731 153.024,732 3.591,733 0.6,734 0.27,735 0.097,736 0.034,737 0.012,738 0.004,739 0.002,740 1.2,741 0.6,742 1.565,743 3.203,744 0.019,745 0.046,746 1.428,747 0.006,748 24.134,749 26.422,750 2.157,751 22,752 4.524,753 1.158,754 14.084,755 0.644,756 4.458,757 20.5,758 4.458,760 3.854,761 1.518,762 5,763 0.984,764 3.044,765 2.008,771 4.301}
{0 CHEMBL1689613,1 1.669,6 2,7 3,8 4.158,9 0.959,10 0.608,11 1.669,12 -0.01,13 0.043,14 8.7,18 1,27 113.552,28 113.552,29 86.567,30 0.578,31 5.203,32 1.383,33 4.158,34 2.398,35 4.844,36 7.018,40 0.054,41 3.098,42 6,43 0.5,44 1,45 1,46 84.429,47 0.122,48 2,49 1.211,50 0.211,51 5.098,52 3.098,53 0.439,54 0.076,55 0.946,56 3.304,57 2.954,58 26.841,59 0.972,60 1,61 181.92,62 6.723,63 3.186,64 10.935,65 3.186,66 10.935,67 5.186,68 6.723,69 3.186,70 10.935,71 7,72 3,73 0.023,74 -0.115,75 0.053,76 5,77 11,78 -0.03,79 6.746,80 4.132,81 4.16,82 4.149,83 4.049,84 4.056,85 11.242,86 220.432,87 12.244,88 13.06,89 0.644,90 1.558,91 4.079,92 0.917,93 68.367,94 68.367,95 110.069,96 2.144,97 1.7,98 1.703,99 19.062,100 0.653,101 0.056,102 2.2,103 0.282,104 5,105 1,106 1,108 1,109 1,110 1,111 1,112 1,113 4.445,114 1.873,115 1.88,116 10.079,117 0.854,118 11.264,119 12.937,120 14.298,121 15.877,122 17.324,123 0.33,124 42.948,125 5.572,126 4.443,127 -0.122,128 1.118,129 4.707,130 1.994,131 240.084,132 26.709,133 29.094,134 31.453,135 15.172,136 33.832,137 16.298,138 17.82,139 36.2,140 17.403,141 182.393,142 0.739,143 -0.004,144 0.875,145 16.112,146 3.424,147 3.462,148 3.468,149 3.311,150 3.305,151 1.421,152 1.379,153 1.563,154 246.084,155 8.871,156 8.64,157 7.116,158 4.201,159 3.857,160 4,161 4.376,162 3.857,163 11.073,164 4.44,165 5.098,166 5.127,167 10.296,168 63.222,169 5.101,170 3.868,171 3.862,172 5.605,173 3.742,174 3.75,175 3.613,176 1.036,177 8.303,178 10.65,179 7.91,180 10.303,181 3.374,182 19.068,183 19.068,184 19.068,185 19.068,186 19.068,187 16.339,188 11.382,189 19.627,190 4.074,191 1.765,192 59.667,193 2.406,194 2.115,195 0.903,196 1.697,197 0.748,198 0.962,199 1.735,200 0.7,201 1.606,202 0.593,203 2.818,204 1.231,205 0.291,206 0.371,207 0.666,208 0.268,209 2.479,210 -0.182,211 -0.369,212 0.191,213 0.62,214 -0.171,215 18.25,216 11856,217 4.787,218 1447.83,219 20650.7,220 4.748,221 144.76,222 24.714,223 3.466,224 3.466,225 31,226 28,227 8.136,228 6.139,229 43,230 62.722,232 6,233 4.149,234 233.441,235 134.606,236 4.992,237 0.748,238 0.291,239 1.735,240 0.666,241 -0.369,242 2.406,243 11064,244 19915,245 3.201,246 3.004,247 4.201,248 2.863,249 2.893,250 2.762,251 4.066,252 2.75,253 0.15,254 0.217,255 0.134,256 0.103,257 0.353,258 0.1,259 1.06,260 1.406,261 0.95,262 1.202,263 0.833,264 4.143,265 13.614,266 12.654,267 14.192,268 90.43,269 27.479,270 1.268,271 0.274,272 12.432,273 2.953,274 4.6,275 4.545,276 4.463,277 14,278 335.63,279 1.494,280 1.482,281 4,282 6.791,283 34.549,284 6.942,285 4,286 4.792,287 3.71,290 3.803,291 3.289,292 2.628,293 3.286,294 3.184,295 3,296 1.706,297 2.22,298 1.511,299 1.152,300 0.78,301 -0.154,302 -0.131,303 1.108,304 2.449,305 -0.238,306 -0.314,307 -0.565,308 0.04,309 0.045,310 4.06,311 21,313 3.773,314 0.889,315 62.852,316 42.5,317 1.511,318 7.385,319 -0.154,320 -0.238,321 -0.565,322 3.289,323 2.628,324 46.851,325 4.065,326 3.996,327 4,328 4.673,329 1.913,330 1.133,331 1.367,332 0.483,333 1.402,334 8.58,335 10.18,336 10.704,337 188.136,338 202.838,339 153.024,340 1,341 1,342 1,343 4.597,344 2,345 1,346 4,347 1,348 1,349 1,350 4.597,351 18.864,352 20.348,353 21.872,354 23.374,355 7.597,356 4.597,357 2.866,359 10.985,360 1.724,361 0.704,362 3,363 3,364 77.48,365 1.673,366 4.635,367 4.635,368 1.933,369 1.933,370 120.577,371 0.837,372 5.773,373 3.698,374 51.509,375 111.051,376 111.051,377 49,378 3.676,379 248.084,380 7.286,381 1.634,382 3.912,383 130.994,384 1.517,385 7.091,386 2.006,387 0.169,388 1.66,389 9.654,390 3.564,391 3.541,392 1.446,393 2.183,394 1.233,395 2.783,396 1.167,397 3.413,398 4.351,399 1.233,400 2.783,401 46.307,402 42.883,403 15.33,404 15.33,405 15.33,406 15.33,407 15.33,408 201.201,409 482.691,410 4.686,411 4.877,412 4.884,413 7.833,414 2.696,415 3.67,416 36.374,417 5.058,418 25.817,419 5.947,420 5.782,421 4.782,422 4.711,423 479.467,424 1.14,425 42.699,426 1.007,427 20.813,429 4.226,430 5.549,432 8.918,433 6.82,434 4.43,435 43.13,436 3.117,437 76.787,438 76.787,439 16.427,440 7.274,441 16.327,442 413.33,443 20.51,444 9.928,445 2.848,446 0.756,447 0.325,449 0.137,450 1160,451 7.74,452 2.24,453 4.824,454 3.647,455 3.497,456 5.316,457 3.39,458 10.913,459 254.084,460 46,461 46.451,462 0.893,463 1.068,464 1.098,465 1.733,466 4.346,467 4.6,468 18,469 8.199,470 10.097,471 0.4,472 5.713,473 19.51,474 0.652,475 8.562,476 0.308,478 2.775,479 4.718,480 6.613,481 0.115,482 3.964,483 2.001,484 1.137,485 3.49,486 2.703,487 1.596,488 3.59,489 3.965,490 21.181,491 28.738,492 3.24,493 0.358,494 64.641,495 0.037,496 3.471,497 114.316,498 3.982,499 43,500 2.271,501 3.784,502 5.004,503 5.855,504 19.599,505 4.466,506 2.271,507 46.451,508 45.927,509 0.222,510 5.46,511 6.971,512 148,513 174,514 3.386,515 0.843,516 5.383,517 0.732,518 66.226,520 3.527,521 3.687,522 23.001,523 2,524 4.053,525 3.96,526 1.649,527 3.529,528 1.649,529 3.529,530 5.861,531 4.955,532 1.07,533 31.67,534 4.976,535 4.976,536 1.248,537 2.459,538 18.755,539 2,540 4.998,541 5.509,542 3.515,543 8.393,544 1,545 4.052,546 4.578,547 3.529,548 8.985,549 3.74,550 3.511,551 1.168,552 1.051,553 3,554 2.263,555 2.023,556 1.701,557 4.058,558 3.259,559 2.343,560 2.343,561 1,562 0.587,563 6,564 2.189,570 3.716,571 1.072,572 0.202,576 3,578 3.002,579 107,580 297.547,581 5.436,582 13.862,583 0.165,584 8.267,585 10.285,586 47.274,587 5,589 418.512,590 474.231,591 442,592 3.095,593 0.17,594 2.123,596 5.297,597 0.995,598 5.297,599 0.212,600 94.265,601 4.814,602 4.272,603 6.735,604 7.604,605 5.832,606 6.047,607 6.318,608 -0.064,609 36.958,610 1,611 1,612 0.761,613 2.977,614 21,615 2.249,616 8.853,617 33.284,618 2.326,619 1.121,620 3.287,621 2.958,622 2.979,623 1.57,624 1,625 7,626 5.035,627 25.354,628 15.078,629 17.218,630 19.685,631 10.999,632 21.966,633 12.191,634 24.372,635 21.651,636 13.267,637 12.942,638 23.514,639 14.427,640 25.382,641 15.541,642 27.256,643 16.689,644 29.134,645 17.883,646 0.67,647 3.945,648 4.433,649 4.674,650 1,651 1.862,652 9,653 4.007,654 6.192,655 1.862,656 3.487,657 1.612,658 1.204,659 13.259,660 1.384,661 12,662 2.565,664 12.538,665 11.719,666 27226,667 8.759,668 9.229,669 7.079,670 0.386,671 1.303,672 0.106,673 3.667,674 4.094,675 0.854,676 0.972,677 4.094,678 1.498,679 51.412,680 2.473,681 3,682 1.475,683 1.576,684 1.022,685 0.934,686 0.311,687 2.863,688 3.422,689 73.3,690 73.3,691 0.969,692 0.969,693 1.778,694 1.778,695 29.124,696 4.564,697 4.564,698 5.761,699 2.915,700 5.007,701 7.702,702 2.575,703 3.64,704 4.443,705 4.331,707 0.911,708 5.542,709 7.089,712 0.826,713 0.859,714 5.219,715 5.35,716 4.45,717 0.006,718 -0.02,719 -0.077,723 0.976,724 7.089,725 1.525,726 2.092,728 191.85,729 191.85,730 1.635,731 153.024,732 3.633,733 0.6,734 0.27,735 0.097,736 0.034,737 0.012,738 0.004,739 0.002,740 1.2,741 0.6,742 1.567,743 3.205,744 0.019,745 0.046,746 1.428,747 0.006,748 23.985,749 24.121,750 2.149,751 22,752 4.524,753 1.158,754 14.082,755 0.644,756 4.458,757 20.5,758 4.458,760 3.854,761 1.511,762 5,763 1.006,764 3.044,765 2.008,771 4.301}
{0 CHEMBL1689614,1 1.669,6 2,7 2,8 4.193,9 0.96,10 0.627,11 1.669,12 -0.01,13 0.024,14 8.7,18 1,27 113.552,28 113.552,29 86.567,30 0.578,31 5.238,32 1.383,33 4.193,34 2.398,35 4.844,36 7.034,40 0.053,41 3.113,42 6,43 0.5,44 1,45 1,46 84.429,47 0.122,48 2,49 1.211,50 0.211,51 5.113,52 3.113,53 0.44,54 0.076,55 0.959,56 3.299,57 2.859,58 26.881,59 0.906,60 1,61 181.92,62 6.819,63 3.229,64 11.253,65 3.229,66 11.253,67 5.229,68 6.819,69 3.229,70 11.253,71 6,72 5,73 0.022,74 -0.115,75 0.053,76 5,77 11,78 -0.067,79 6.746,80 4.133,81 4.16,82 4.17,83 4.051,84 4.058,85 11.22,86 222.432,87 12.137,88 12.916,89 0.643,90 1.558,91 4.097,92 0.917,93 68.367,94 68.367,95 110.069,96 2.144,97 1.689,98 1.702,99 19.062,100 0.653,101 0.056,102 2.2,103 0.282,104 4,105 1,106 1,108 1,109 1,110 1,111 1,112 1,113 4.442,114 1.872,115 1.879,116 10.097,117 0.985,118 11.311,119 12.984,120 14.361,121 15.943,122 17.403,123 0.278,124 42.942,125 5.566,126 4.374,127 -0.114,128 1.118,129 4.706,130 1.994,131 244.084,132 26.937,133 29.347,134 31.731,135 15.212,136 34.135,137 16.341,138 17.957,139 36.531,140 17.45,141 182.393,142 0.739,143 -0.004,144 0.865,145 16.117,146 3.419,147 3.463,148 3.445,149 3.299,150 3.295,151 1.421,152 1.379,153 1.563,154 248.084,155 8.877,156 8.649,157 7.125,158 4.201,159 3.837,160 4,161 4.383,162 3.837,163 11.051,164 4.44,165 5.111,166 5.127,167 10.309,168 63.219,169 5.102,170 3.894,171 3.853,172 5.661,173 3.736,174 3.748,175 3.604,176 1.028,177 8.344,178 10.637,179 7.822,180 10.317,181 3.374,182 19.121,183 19.121,184 19.121,185 19.121,186 19.121,187 16.372,188 11.407,189 19.652,190 4.074,191 1.755,192 59.667,193 2.449,194 2.194,195 0.972,196 1.741,197 0.806,198 1.053,199 1.844,200 0.736,201 1.618,202 0.662,203 2.831,204 1.256,205 0.332,206 0.413,207 0.764,208 0.296,209 2.477,210 -0.064,211 -0.125,212 0.25,213 0.62,214 -0.163,215 18.25,216 11760,217 4.788,218 1436.19,219 20481.9,220 4.748,221 144.543,222 24.219,223 3.466,224 3.466,225 31,226 28,227 8.136,228 6.167,229 44,230 62.722,232 6,233 4.131,234 234.456,235 132.606,236 4.992,237 0.806,238 0.332,239 1.844,240 0.764,241 -0.125,242 2.449,243 10975,244 19668,245 3.2,246 3.009,247 4.202,248 2.875,249 2.903,250 2.778,251 4.121,252 2.767,253 0.151,254 0.22,255 0.135,256 0.104,257 0.363,258 0.1,259 1.06,260 1.411,261 0.95,262 1.229,263 0.832,264 4.143,265 13.631,266 12.691,267 14.208,268 90.531,269 27.429,270 1.263,271 0.274,272 12.321,273 2.952,274 4.601,275 4.548,276 4.455,277 14,278 335.63,279 1.492,280 1.481,281 4,282 6.909,283 34.48,284 6.913,285 4,286 4.835,287 3.684,290 3.837,291 3.318,292 2.628,293 3.241,294 3.098,295 2.993,296 1.609,297 2.199,298 1.437,299 1.22,300 0.841,301 -0.054,302 -0.044,303 1.151,304 2.442,305 -0.236,306 -0.309,307 -0.557,308 -0.084,309 -0.12,310 4.078,311 21,313 3.773,314 1,315 62.852,316 42.5,317 1.437,318 7.399,319 -0.054,320 -0.236,321 -0.557,322 3.318,323 2.628,324 47.127,325 4.065,326 3.997,327 4,328 4.644,329 1.913,330 1.136,331 1.368,332 0.482,333 1.407,334 8.593,335 10.324,336 10.944,337 188.136,338 206.281,339 153.024,340 1,341 1,342 1,343 4.652,344 2,345 1,346 4,347 1,348 1,349 1,350 4.652,351 18.949,352 20.444,353 21.976,354 23.487,355 7.652,356 4.652,357 2.845,359 10.993,360 1.723,361 0.703,362 3,363 3,364 77.48,365 1.673,366 4.677,367 4.677,368 1.927,369 1.927,370 120.111,371 0.835,372 5.785,373 3.625,374 51.509,375 111.051,376 111.051,377 49,378 3.626,379 248.084,380 7.229,381 1.629,382 3.912,383 131.42,384 1.516,385 7.081,386 2.005,387 0.168,388 1.668,389 9.66,390 3.564,391 3.541,392 1.425,393 2.231,394 1.283,395 2.87,396 1.2,397 3.423,398 4.351,399 1.283,400 2.87,401 46.257,402 42.882,403 15.314,404 15.314,405 15.314,406 15.314,407 15.314,408 201.201,409 482.691,410 4.687,411 4.877,412 4.883,413 7.833,414 2.703,415 3.67,416 43.555,417 5.059,418 25.438,419 5.949,420 5.798,421 4.782,422 4.712,423 479.467,424 1.149,425 43.523,426 1.007,427 22.857,429 4.239,430 5.516,432 8.899,433 6.82,434 4.43,435 43.002,436 3.197,437 76.787,438 76.787,439 16.427,440 7.289,441 16.28,442 413.33,443 20.51,444 9.953,445 2.84,446 0.762,447 0.325,449 0.137,450 1146,451 7.74,452 2.24,453 4.824,454 3.638,455 3.489,456 5.346,457 3.405,458 10.92,459 254.084,460 46,461 46.451,462 0.898,463 1.078,464 1.107,465 1.724,466 4.354,467 4.599,468 18,469 8.227,470 10.124,471 0.4,472 5.713,473 19.51,474 0.652,475 8.56,476 0.351,478 2.745,479 4.328,480 6.605,481 0.115,482 3.992,483 1.999,484 1.137,485 3.487,486 2.685,487 1.625,488 3.475,489 3.965,490 21.333,491 28.738,492 3.24,493 0.358,494 63.825,495 0.051,496 3.532,497 114.316,498 3.989,499 43,500 2.357,501 3.784,502 5.004,503 5.861,504 19.599,505 4.466,506 2.357,507 46.418,508 45.909,509 0.222,510 5.46,511 6.976,512 148,513 175,514 3.381,515 0.843,516 5.328,517 0.732,518 66.226,520 3.546,521 3.687,522 23.513,523 1,524 4.053,525 3.96,526 1.522,527 3.443,528 1.522,529 3.443,530 5.866,531 5.057,532 1.06,533 31.67,534 4.009,535 4.009,536 1.248,537 2.225,538 18.506,539 1,540 5.009,541 5.551,542 3.514,543 8.393,544 3,545 4.052,546 4.578,547 3.529,548 8.985,549 3.74,550 3.511,551 1.168,552 1.051,553 3,554 2.247,555 1.988,556 1.701,557 4.062,558 3.259,559 2.343,560 2.343,561 1,562 0.587,563 4,564 2.221,570 3.716,571 1.204,572 0.202,576 3,578 3.044,579 106,580 297.547,581 5.412,582 13.862,583 0.148,584 8.269,585 10.289,586 47.484,587 4.5,589 418.512,590 474.095,591 442,592 3,593 0.17,594 2.123,596 5.282,597 0.976,598 5.282,599 0.212,600 94.265,601 4.814,602 4.12,603 6.742,604 7.617,605 5.838,606 6.057,607 6.321,608 -0.064,609 39.376,610 1,611 1,612 0.625,613 2.967,614 21,615 2.209,616 8.811,617 33.284,618 2.326,619 1.123,620 3.287,621 2.962,622 2.981,623 1.568,624 1,625 9,626 5.035,627 25.354,628 15.195,629 17.361,630 19.845,631 11.074,632 22.149,633 12.272,634 24.577,635 21.772,636 13.363,637 12.976,638 23.645,639 14.53,640 25.524,641 15.657,642 27.408,643 16.814,644 29.295,645 18.487,646 0.67,647 3.945,648 4.433,649 4.68,650 1,651 1.813,652 9,653 4.007,654 6.206,655 1.813,656 3.457,657 1.612,658 1.221,659 13.259,660 1.384,661 10,662 2.555,664 12.558,665 11.738,666 27224,667 8.819,668 9.347,669 7.171,670 0.39,671 1.351,672 0.108,673 3.667,674 4.145,675 1.003,676 1.161,677 4.096,678 1.497,679 51.412,680 2.402,681 5,682 1.475,683 1.576,684 1.037,685 0.935,686 0.312,687 2.879,688 3.438,689 73.3,690 73.3,691 1.021,692 1.021,693 1.739,694 1.739,695 29.124,696 4.533,697 4.564,698 5.772,699 2.895,700 5.007,701 7.715,702 2.596,703 3.662,704 4.454,705 4.331,707 0.911,708 5.85,709 7.79,712 1,713 0.862,714 5.306,715 5.393,716 4.522,717 0.006,718 -0.02,719 -0.08,723 0.976,724 7.79,725 1.532,726 2.092,728 191.85,729 191.85,730 1.638,731 153.024,732 3.584,733 0.6,734 0.27,735 0.097,736 0.034,737 0.012,738 0.004,739 0.002,740 1.2,741 0.6,742 1.599,743 3.225,744 0.019,745 0.046,746 1.37,747 0.006,748 24.297,749 25.523,750 2.104,751 22,752 4.524,753 1.158,754 14.118,755 0.627,756 4.458,757 20.5,758 4.458,760 3.854,761 1.52,762 6,763 1.055,764 3.088,765 2.008,771 4.301}
{0 CHEMBL1689615,1 1.567,6 4,7 2,8 4.263,9 0.981,10 0.666,11 1.567,12 -0.018,13 0.006,14 8.2,18 1,27 127.924,28 127.924,29 100.939,30 0.577,31 5.308,32 1.405,33 4.263,34 2.398,35 4.949,36 7.195,40 0.061,41 3.179,42 6,43 0.5,44 1,45 1,46 104.2,47 0.115,48 2,49 1.211,50 0.211,51 5.179,52 3.179,53 0.44,54 0.076,55 1.02,56 3.504,57 2.83,58 27.46,59 0.972,60 1,61 181.405,62 6.967,63 3.302,64 11.717,65 3.302,66 11.717,67 5.302,68 6.967,69 3.302,70 11.717,71 4,72 2,73 0.022,74 -0.077,75 0.022,76 8,77 15,78 -0.126,79 6.746,80 4.145,81 4.175,82 4.122,83 4.055,84 4.065,85 11.194,86 236.366,87 12.019,88 12.427,89 0.665,90 1.791,91 4.337,92 0.212,93 53.481,94 53.481,95 110.069,96 2.144,97 1.765,98 1.767,99 18.789,100 0.729,102 2,103 0.262,104 3,105 1,106 1,108 1,109 1,110 1,111 1,112 1,113 4.503,114 1.886,115 1.889,116 10.337,117 0.984,118 11.348,119 13.025,120 14.419,121 16.008,122 17.482,123 0.201,124 42.931,125 5.557,126 4.214,127 -0.185,128 1.12,129 4.706,130 2.035,131 260.366,132 27.275,133 29.725,134 32.154,135 15.393,136 34.601,137 16.538,138 18.193,139 37.041,140 17.668,141 187.372,142 0.852,143 0.018,144 0.958,145 16.25,146 3.446,147 3.497,148 3.367,149 3.314,150 3.312,151 1.433,152 1.391,153 1.575,154 264.366,155 9.122,156 8.865,157 7.352,158 3.9,159 3.534,160 4,161 4.35,162 3.534,163 12.654,164 4.44,165 5.12,166 5.127,167 10.321,168 63.292,169 5.115,170 3.946,171 3.942,172 5.676,173 3.806,174 3.813,175 3.654,176 1.19,177 9.227,178 12.695,179 8.071,180 11.124,181 3.374,182 19.173,183 19.173,184 19.173,185 19.173,186 19.173,187 16.396,188 11.452,189 19.633,190 4.074,191 1.73,192 59.333,193 2.344,194 2.216,195 0.93,196 1.776,197 0.816,198 1.085,199 1.869,200 0.779,201 1.638,202 0.739,203 2.972,204 1.361,205 0.43,206 0.495,207 0.969,208 0.397,209 2.62,210 0.039,211 0.078,212 0.262,213 0.624,214 -0.163,215 18.25,216 11680,217 4.788,218 1428.78,219 20337.8,220 4.748,221 144.344,222 23.954,223 3.466,224 3.466,225 31,226 28,227 9.026,228 6.194,229 45,230 60.444,232 6,233 4.121,234 235.246,235 134.606,236 4.992,237 0.816,238 0.43,239 1.869,240 0.969,241 0.078,242 2.344,243 10900,244 18199,245 3.267,246 3.056,247 4.156,248 2.891,249 2.916,250 2.752,251 4.067,252 2.745,253 0.153,254 0.225,255 0.138,256 0.107,257 0.378,258 0.103,259 1.168,260 1.46,261 0.966,262 1.297,263 0.841,264 4.143,265 13.648,266 12.961,267 13.937,268 87.67,269 27.391,270 1.367,271 0.277,272 12.213,273 2.983,274 4.724,275 4.679,276 4.515,277 14,278 337.72,279 1.487,280 1.482,281 3,282 7.385,283 24.577,284 6.911,285 4,286 4.824,287 3.681,290 3.716,291 3.17,292 2.876,293 3.299,294 3.008,295 2.973,296 1.574,297 2.041,298 1.354,299 1.239,300 0.957,301 0.034,302 0.031,303 1.151,304 2.449,305 -0.235,306 -0.308,307 -0.556,308 -0.023,309 -0.125,310 4.094,311 22,313 3.773,314 1,315 44.465,316 42.5,317 1.354,318 7.414,319 0.034,320 -0.235,321 -0.556,322 3.17,323 2.876,324 46.977,325 4.066,326 3.997,327 4,328 4.571,329 1.916,330 1.241,331 1.49,332 0.558,333 1.476,334 8.604,335 10.526,336 10.788,337 172.978,338 196.244,339 200.109,340 1,341 1,342 1,343 4.71,344 2,345 1,346 4,347 1,348 1,349 1,350 4.71,351 19.036,352 20.545,353 22.086,354 23.609,355 7.71,356 4.71,357 2.797,358 1,359 12.239,360 1.77,361 0.844,362 2,363 2,364 60.694,365 1.684,366 4.737,367 4.737,368 2.104,369 2.104,370 120.164,371 0.875,372 5.777,373 3.564,374 36.622,375 96.164,376 96.164,377 52,378 3.509,379 264.366,380 7.085,381 1.737,382 3.925,383 131.879,384 1.563,385 7.092,386 2.03,387 0.165,388 1.709,389 9.571,390 3.582,391 3.556,392 1.402,393 2.178,394 1.227,395 2.76,396 1.164,397 3.435,398 4.371,399 1.227,400 2.76,401 46.112,402 43.558,403 15.294,404 15.294,405 15.294,406 15.294,407 15.294,408 202.461,409 485.764,410 4.728,411 4.927,412 4.987,413 9.109,414 2.891,415 3.67,416 35.43,417 5.056,418 25.58,419 5.902,420 5.852,421 4.945,422 4.776,423 486.888,424 1.158,425 41.112,426 0.998,427 22.657,429 4.254,430 5.555,432 10.221,433 9.044,434 5.388,435 46.694,436 3.151,437 76.775,438 76.775,439 16.318,440 7.275,441 16.083,442 392.92,443 20.01,444 9.03,445 3.045,446 0.747,447 0.322,449 0.122,450 1138,451 7.659,452 2.159,453 4.963,454 3.684,455 3.528,456 5.355,457 3.44,458 13.242,459 275.121,460 49,461 49.011,462 0.909,463 1.107,464 1.127,465 1.971,466 4.445,467 4.711,468 21,469 8.244,470 10.144,471 0.4,472 5.51,473 19.51,474 0.652,475 9.709,476 0.397,478 2.834,479 4.201,480 6.594,481 0.113,482 4.047,483 2.026,484 1.148,485 3.494,486 2.662,487 1.622,488 3.928,489 3.824,490 20.923,491 28.952,492 3.24,493 0.358,494 64.031,495 0.014,496 3.527,497 114.408,498 4.023,499 43,500 2.295,501 3.784,502 5.004,503 5.866,504 19.82,505 4.466,506 2.295,507 46.355,508 45.931,509 0.223,510 5.46,511 6.982,512 148,513 176,514 3.381,515 0.879,516 5.356,517 0.732,518 66.226,520 3.591,521 4.183,522 25.662,523 2,524 3.989,525 3.973,526 1.513,527 2.962,528 1.513,529 2.962,530 5.9,531 5.054,532 1.117,533 32.369,534 3.858,535 3.858,536 1.248,537 2.22,538 16.452,539 2,540 4.885,541 5.61,542 3.512,543 8.212,544 2,545 4.11,546 4.664,547 3.541,548 8.019,549 3.741,550 3.509,551 1.173,552 1.148,553 3,554 2.338,555 1.981,556 1.702,557 4.093,558 3.16,559 2.191,560 2.191,561 1,562 0.583,563 4,564 2.13,570 3.619,571 1.045,572 0.202,576 4,578 2.905,579 106,580 305.483,581 5.421,582 13.648,583 0.168,584 8.271,585 10.305,586 47.678,587 4,589 395.621,590 422.439,591 396,592 2.73,593 0.17,594 2.115,596 5.297,597 1.014,598 5.297,599 0.211,600 94.265,601 4.814,602 3.871,603 6.749,604 7.63,605 5.844,606 6.066,607 6.332,608 0.047,609 35.045,610 1,611 1,612 0.688,613 2.95,614 21,615 2.286,616 9.174,617 34.188,618 2.736,619 1.29,620 3.35,621 3.057,622 3.064,623 1.588,625 7,626 4.577,627 20.947,628 15.327,629 17.536,630 20.054,631 11.178,632 22.404,633 12.391,634 24.869,635 21.903,636 13.509,637 13.122,638 23.793,639 14.695,640 25.69,641 15.847,642 27.592,643 17.026,644 29.499,645 18.898,646 0.639,647 3.994,648 4.496,649 4.776,650 1,651 1.92,652 9,653 4.007,654 6.271,655 1.92,656 3.408,657 1.626,658 1.285,659 17.274,660 1.384,661 11,662 2.628,664 12.5,665 11.757,666 26387,667 8.849,668 9.084,669 7.196,670 0.395,671 1.324,672 0.109,673 3.627,674 4.065,675 1.055,676 1.171,677 4.087,678 1.495,679 54.883,680 2.339,681 4,682 1.51,683 1.59,684 0.943,685 0.926,686 0.309,687 2.889,688 3.372,689 62.44,690 62.44,691 0.973,692 0.973,693 1.702,694 1.702,695 25.623,696 4.533,697 4.543,698 5.779,700 5.007,701 7.773,702 2.575,703 3.64,704 4.443,705 4.331,706 1,707 0.901,708 5.632,709 7.034,712 0.963,713 0.86,714 5.314,715 5.395,716 4.307,717 0.027,718 0.055,719 -0.079,723 0.961,724 7.034,725 1.538,726 2.092,728 167.073,729 167.073,730 1.635,731 200.109,732 3.565,733 0.6,734 0.27,735 0.097,736 0.034,737 0.012,738 0.004,739 0.002,740 1.2,741 0.6,742 1.568,743 3.28,744 0.019,745 0.045,746 1.33,747 0.006,748 20.122,749 27.843,750 2.149,751 22,752 4.524,753 1.069,754 14.278,755 0.61,756 4.458,757 20.5,758 4.458,760 4.048,761 1.515,762 7,763 1.103,764 3.044,765 2.008,771 4.301}
{0 CHEMBL374508,1 1.658,6 2,7 1,8 4.169,9 0.739,10 0.462,11 1.658,12 0.178,13 0.179,14 9.6,22 1,27 41.684,28 41.684,29 12.218,30 0.57,31 5.234,32 1.383,33 4.169,34 3.932,35 5.9,36 7.813,37 4.794,40 0.067,41 3.038,42 1,43 1,46 17.65,47 0.212,49 1,51 4.927,52 3.038,53 0.469,54 0.089,55 0.98,56 3.169,57 2.008,58 18.482,59 1.135,61 160.285,62 6.771,63 3.224,64 11.074,65 3.224,66 11.074,67 5.214,68 6.771,69 3.224,70 11.074,71 2,72 3,73 0.031,74 -0.148,75 0.016,76 1,77 7,78 0.06,79 113.631,80 3.925,81 3.953,82 3.866,83 3.726,84 3.75,85 11.027,86 243.403,87 10.773,88 10.773,89 0.741,90 2.336,91 5.263,92 4.536,93 118.601,94 118.601,95 139.437,96 1.899,98 1.674,99 21.51,100 0.889,101 -0.026,102 9.6,103 0.286,104 1,105 1,106 1,108 1,110 1,111 1,112 1,113 3.843,114 1.759,115 1.748,116 8.773,117 0.9,118 9.284,119 10.582,120 11.661,121 12.899,122 14.045,123 0.785,124 71.748,125 5.746,126 4.659,127 0.103,128 1.156,129 6.351,130 1.954,131 258.913,132 26.516,133 28.918,134 31.302,135 14.712,136 33.702,137 15.805,138 17.683,139 36.096,140 16.888,141 174.965,142 0.583,143 -0.021,144 0.904,145 13.259,146 3.411,147 3.482,148 3.288,149 3.157,150 3.181,151 1.305,152 1.249,153 1.589,154 258.913,155 8.073,156 7.887,157 6.596,158 3.618,159 2.789,160 5,161 3.933,162 2.789,163 12.7,164 3.761,165 3.829,166 4.443,167 9.729,168 40.407,169 5.179,170 3.724,171 3.802,172 6.21,173 3.745,174 3.815,175 3.738,176 1.017,177 7.535,178 12.341,179 8.007,180 12.655,181 3.265,182 15.811,183 15.811,184 15.811,185 15.811,186 15.811,187 14.979,188 9.623,189 16.122,190 3.893,191 1.834,192 57.5,193 2.236,194 0.892,195 0.499,196 0.601,197 -0.406,198 -0.463,199 -1.032,200 -0.392,201 0.7,202 0.297,203 2.218,204 0.419,205 -0.56,206 -0.625,207 -1.207,208 -0.543,209 1.935,210 -0.796,211 -2,212 -0.12,213 0.049,214 -0.9,215 16,216 6690,217 4.607,218 1113.69,219 14593.8,220 4.523,221 124.032,222 27.488,223 3.258,224 3.258,225 25,226 25,227 9.067,228 5.694,229 30,230 70,232 11,233 3.686,234 172.858,235 112.096,236 4.644,237 -0.406,238 -0.56,239 -1.032,240 -1.207,241 -2,242 2.236,243 7144,244 13291,245 3.233,246 3.06,247 4.659,248 2.795,249 2.874,250 2.618,251 4.299,252 2.57,253 0.173,254 0.271,255 0.167,256 0.129,257 0.443,258 0.122,259 1.084,260 1.471,261 0.933,262 1.407,263 0.804,264 3.932,265 11.718,266 11.051,267 11.718,268 75.328,269 24.958,270 1.037,271 0.176,272 18.543,273 3.009,274 4.838,275 4.867,276 4.838,277 15.167,278 344.09,279 1.438,280 1.435,282 7.568,283 123.193,284 3.871,285 2,286 4.681,287 3.584,290 3.659,291 2.902,292 2.176,293 2.837,294 2.714,295 2.334,296 1.788,297 1.271,298 0.833,299 0.464,300 0.17,301 -0.761,302 -0.695,303 0.292,304 1.653,305 -1,306 -1,307 -2,308 -0.121,309 -0.158,310 3.555,311 15,313 3.401,314 0.875,315 16.786,316 29,317 0.833,318 7.086,319 -0.761,320 -1,321 -2,322 2.902,323 2.176,324 38.281,325 3.791,326 3.606,327 3.623,328 5.323,329 1.637,330 1.116,331 1.417,332 0.469,333 1.436,334 8.177,335 6.687,336 6.687,337 136.78,338 147.699,339 235.422,343 3.453,350 3.453,351 15.262,352 16.442,353 17.655,354 18.854,355 5.786,356 3.453,357 3.551,358 1,359 12.212,360 1.695,361 0.809,362 7,363 7,364 144.499,365 1.499,366 4.319,367 4.319,368 2.101,369 2.101,371 0.771,372 6.012,373 3.703,374 148.067,375 247.719,376 247.719,377 52,378 3.413,379 258.913,380 6.311,381 1.606,382 3.637,383 97.231,384 1.41,385 3.584,386 1.923,387 0.191,388 1.669,389 8.237,390 3.365,391 3.368,392 0.971,393 1.141,394 0.18,395 0.373,396 0.171,397 2.591,398 4.131,399 0.18,400 0.373,401 35.941,402 34.578,403 12.323,404 12.323,405 12.323,406 12.323,407 12.323,408 189.505,409 454.153,410 4.834,411 5.076,412 5.149,413 10.155,414 3.047,415 3.711,416 167.82,417 7.432,418 30.725,419 7.31,420 5.897,421 5.11,422 5.082,423 524.825,424 1.207,425 113.102,426 0.865,427 32.14,428 -2.047,429 3.889,430 6.005,431 1,432 12.502,433 12.281,434 6.133,435 113.977,436 3.16,437 86.218,438 86.218,439 14.527,440 3.97,441 12.806,442 357.47,443 18.983,444 27.233,445 3.098,446 1.021,447 0.358,448 34.975,449 0.165,450 1185,451 8.3,452 2.8,453 5.081,454 3.798,455 3.701,456 6.027,457 3.606,458 12.041,459 296.423,460 52,461 52.865,462 0.934,463 1.239,464 1.304,465 2.029,466 4.856,467 5.129,468 27,469 6.889,470 8.346,471 2.036,472 8.997,473 18.983,474 0.64,475 7.216,476 -0.028,478 2.694,479 3.92,480 3.97,481 0.13,482 3.808,483 1.905,484 0.889,485 3.543,486 2.459,487 1.414,489 3.365,490 25.523,491 31.433,492 5.196,493 0.56,495 -0.053,496 2.158,497 88.499,498 3.735,499 33,500 -0.403,501 3.526,502 4.762,503 5.549,504 16.978,505 4.205,506 -0.403,507 36.483,508 35.874,509 0.213,510 5.209,511 6.648,512 116,513 128,514 3.319,515 0.894,516 5.945,517 0.24,518 188.745,519 4,520 3.726,521 4.086,522 31.021,523 2,524 3.717,525 3.691,526 1.188,527 1.795,528 1.188,529 1.795,530 5.631,531 3.376,532 0.887,533 29.476,534 3.419,535 3.419,536 1.318,537 1.698,538 79.931,539 3,540 7.423,541 5.305,542 3.552,543 10.457,544 5,545 4.167,546 4.75,547 3.626,548 6.874,549 3.778,550 3.543,551 1.272,552 0.937,553 5,554 2.768,555 0.913,556 1.68,557 3.808,558 3.146,559 2.159,560 2.159,561 2,562 0.581,563 5,564 2.154,565 2,566 1,567 3,568 3,569 2,570 3.515,571 0.687,572 0.435,573 7,574 6,575 2,576 11,577 1,578 2.714,579 117,580 364.54,581 4.593,582 11.167,583 0.103,584 7.975,585 9.331,586 37.631,587 6,588 4,589 432.027,590 399.815,591 366,593 0.17,594 2.099,595 3,596 3.945,597 1.014,598 3.945,599 0.292,600 247.719,601 4.308,602 8.929,603 6.399,604 7.225,605 5.541,606 5.79,607 4.06,608 -0.064,609 151.62,610 3,611 6,612 0.691,613 2.939,614 11,615 2.774,616 7.321,617 30.676,618 2.014,619 1.027,620 3.275,621 2.9,622 2.961,623 1.496,624 1,626 -0.632,627 0.399,628 14.784,629 16.966,630 19.427,631 10.825,632 21.738,633 11.994,634 24.154,635 21.385,636 13.095,637 12.547,638 23.254,639 14.25,640 25.129,641 15.382,642 27.01,643 16.536,644 28.895,645 18.042,646 0.579,647 4.023,648 4.543,649 4.875,650 5,651 1.721,652 8,653 4.007,654 6.118,655 1.721,656 3.641,657 1.451,658 1.308,659 21.851,660 0.88,661 3,662 1.807,663 4,664 6.447,665 11.082,666 2733,667 4.926,668 4.926,669 3.375,670 0.878,671 -0.143,672 0.162,673 3.457,674 3.783,675 1.182,676 1.265,677 3.693,678 1.459,679 60.106,680 1.825,681 2,682 1.354,683 1.552,684 0.973,685 0.988,686 0.329,687 2.783,688 3.559,689 172.43,690 172.43,691 -0.14,692 -0.14,693 1.49,694 1.49,695 24.033,696 3.611,697 3.611,698 3.97,700 4.369,701 7.44,702 1.328,703 2.816,704 3.497,705 3.219,707 0.857,708 5.332,709 6.174,712 1.109,713 0.823,714 4.979,715 4.979,716 4.404,717 0.032,718 -0.116,719 -0.015,723 0.873,724 6.174,725 1.505,726 2.015,728 41.684,729 41.684,730 1.063,731 164.795,732 3.488,733 2.427,734 4.532,735 5.964,736 7.522,737 9.155,738 10.834,739 12.544,740 4.155,741 2.427,742 0.194,743 2.417,744 0.097,745 0.057,746 0.818,747 0.013,748 43.281,749 32.035,750 2.341,751 4,752 2.322,753 1.329,754 13.643,755 0.782,756 3.113,757 6,758 3.113,759 2,760 4.042,761 1.531,762 4,763 0.999,764 2.875,765 1.742,766 2.897,767 4.755,768 6.497,769 8.214,770 9.931,771 6.952}
{0 CHEMBL589509,1 1.357,2 2,3 1,4 1,5 1,6 8,7 10,8 4.009,9 1.05,10 0.841,11 1.357,12 -0.184,13 -0.083,15 1,16 3,17 2,18 2,19 1,20 1,21 2,22 3,23 1,24 1,25 1,26 3,27 179.231,28 179.231,29 138.656,30 0.55,31 5.018,32 1.364,33 4.009,37 15.848,38 5.209,39 2.418,40 0.041,41 2.993,42 2,43 1,46 107.052,47 0.163,49 1,51 4.993,52 2.993,53 0.468,54 0.085,55 0.798,56 3.302,57 2.282,58 25.2,59 1.217,60 1,61 179.231,62 6.461,63 3.019,64 9.985,65 3.019,66 9.985,67 5.019,68 6.461,69 3.019,70 9.985,73 0.017,74 -0.012,75 -0.033,76 9,77 17,78 -0.166,79 4.592,80 3.986,81 3.999,82 3.941,83 3.911,84 3.915,85 9.1,86 175.316,87 9.421,88 9.421,89 0.581,90 2.088,91 5.442,92 -0.823,95 30.278,96 52.123,97 3.167,98 1.605,99 17.649,100 0.93,101 -0.106,102 9.5,103 0.237,107 1,109 3,114 1.634,115 1.637,117 1.11,118 10.218,119 11.88,120 13.002,121 14.532,122 15.768,123 0.15,124 48.43,125 5.442,126 4.278,127 -0.18,128 1.109,129 4.831,130 1.964,131 198.968,132 25.597,133 27.895,134 30.155,135 14.554,136 32.444,137 15.644,138 16.925,139 34.718,140 16.704,141 138.787,142 1.374,143 0.048,144 0.778,145 12.242,146 3.289,147 3.344,148 3.126,149 3.004,150 3.022,151 1.22,152 1.155,153 1.542,154 206.968,155 7.159,156 6.909,157 5.824,158 3.37,159 2.449,161 3.501,162 2.449,163 9.262,164 4.078,165 4.635,166 4.762,167 9.93,168 47.651,169 5.045,170 3.742,171 3.797,172 5.671,173 3.709,174 3.692,175 3.607,176 0.95,177 8.036,178 9.969,179 6.836,180 8.732,181 3.228,182 16.508,183 16.508,184 16.508,185 16.508,186 16.508,187 14.628,188 10.068,189 16.958,190 3.893,191 1.458,192 52,193 2.376,194 1.592,195 0.709,196 1.185,197 0.24,198 0.356,199 0.398,200 0.224,201 1.039,202 0.075,203 2.183,204 0.568,205 -0.395,206 -0.5,207 -0.762,208 -0.372,209 2.126,210 -0.728,211 -1.006,212 -0.464,213 0.193,214 -0.78,215 14.25,216 5945,217 4.556,218 970.249,219 11704,220 4.513,221 115.202,222 20.333,223 3.258,224 3.258,225 25,226 24,227 8.25,228 5.75,229 35,230 57.5,232 7,233 3.581,234 177.966,235 108.039,236 4.779,237 0.24,238 -0.395,239 0.398,240 -0.762,241 -1.006,242 2.376,243 6090,244 10789,245 3.175,246 2.929,247 4.216,248 2.763,249 2.891,250 2.742,251 4.117,252 2.741,253 0.175,254 0.258,255 0.16,256 0.121,257 0.399,258 0.12,259 1.073,260 1.431,261 0.855,262 1.135,263 0.826,264 3.932,265 11.689,266 11.179,267 11.689,268 73.853,269 23.603,270 0.846,271 0.299,272 12.646,273 2.934,274 4.555,275 4.521,276 4.316,277 13,278 316.8,279 1.412,280 1.417,282 6.567,283 29.757,284 5.998,285 10,286 4.174,287 3.425,290 3.737,291 3.1,292 2.193,293 2.991,294 2.919,295 2.72,296 1.496,297 1.778,298 0.645,299 0.836,300 0.447,301 -0.524,302 -0.5,303 0.652,304 2,305 -0.8,306 -1.081,307 -1.799,308 -0.038,309 0.014,310 3.738,311 20,313 3.584,314 1,315 55.101,316 35,317 0.645,318 7.038,319 -0.524,320 -0.8,321 -1.799,322 3.1,323 2.193,324 37.634,325 3.89,326 3.816,327 3.819,328 4.575,329 1.855,330 1.153,331 1.529,332 0.554,333 1.467,334 8.222,335 7.97,336 7.97,337 125.404,338 141.296,339 200.109,343 4.026,350 4.026,351 17.229,352 18.528,353 19.952,354 21.285,355 7.026,356 4.026,357 2.957,359 8.149,360 1.602,361 0.627,365 1.469,366 4.385,367 4.385,368 1.724,369 1.724,371 0.678,372 5.616,373 3.539,374 4.592,375 58.145,376 58.145,377 43,378 3.373,379 214.968,380 4.794,381 1.617,382 3.636,383 95.183,384 1.438,385 6.755,386 1.968,387 0.15,388 1.483,389 7.29,390 3.368,391 3.358,392 0.939,393 1.343,394 0.464,395 0.715,396 0.395,397 2.775,398 4.108,399 0.464,400 0.715,401 35.312,402 34.096,403 12.163,404 12.163,405 12.163,406 12.163,407 12.163,408 174.541,409 417.641,410 4.391,411 4.519,412 4.648,413 6.983,414 2.201,415 3.501,416 37.895,417 5.44,418 15.87,419 4.504,420 5.734,421 4.722,422 4.514,423 449.256,424 1.104,425 46.712,426 0.93,427 17.533,428 -0.179,429 3.807,430 5.756,431 2,432 8.08,433 7.701,434 4.684,435 43.412,436 2.978,437 56.98,438 56.98,439 13.614,440 6.482,441 12.684,442 322.38,443 17.364,444 9.422,445 2.658,446 0.645,447 0.265,448 12.442,449 0.154,450 816,451 7.896,452 2.396,453 4.755,454 3.576,455 3.495,456 5.492,457 3.416,458 10.971,459 226.477,460 42,461 42.262,462 0.869,463 1.063,464 1.071,465 1.6,466 4.326,467 4.528,468 18,469 7.386,470 9.31,471 0.86,472 6.477,473 17.364,474 0.594,475 8.654,476 -0.123,478 2.494,479 3.643,480 5.765,481 0.126,482 3.796,483 1.97,484 0.65,485 3.463,486 2.268,487 1.258,489 3.304,490 15.472,491 25.267,492 3.536,493 0.448,495 -0.106,496 2.126,497 93.922,498 3.745,499 32,500 0.673,501 3.497,502 4.745,503 5.565,504 16.356,505 4.174,506 0.673,507 36.893,508 35.415,509 0.163,510 5.187,511 6.655,512 114,513 130,514 3.349,515 0.792,516 5.471,517 0.771,518 58.145,519 3,520 3.488,521 4.045,522 20.813,524 3.656,525 3.65,526 1.243,527 1.348,528 1.243,529 1.348,530 5.598,531 3.318,532 1.109,533 27.6,534 3.022,535 3.022,536 1.124,537 1.902,538 25.49,539 7,540 4.91,541 5.143,542 3.378,543 8.807,545 3.896,546 4.408,547 3.492,548 7.676,549 3.528,550 3.38,551 1.065,552 0.745,553 1,554 0.172,555 0.939,556 1.67,557 3.766,558 2.891,559 1.946,560 1.946,562 0.567,564 2.291,570 3.493,571 0.859,572 0.274,576 3,578 2.77,579 92,580 270.024,581 4.529,582 11.333,583 0.091,584 7.866,585 8.792,586 37.626,587 4,589 398.942,590 375.413,591 352,592 2.938,593 0.33,594 1.821,596 3.279,597 1.092,598 3.279,599 0.188,600 58.145,601 3.96,602 4.646,603 6.405,604 7.246,605 5.509,606 5.707,607 5.629,608 0.131,609 54.983,612 0.792,613 2.824,614 12,615 2.496,616 7.052,617 28.671,618 1.438,619 1.012,620 3.253,621 2.93,622 2.93,623 1.583,625 9,626 4.845,627 23.474,628 14.451,629 16.484,630 18.871,631 10.428,632 21.043,633 11.587,634 23.365,635 21.095,636 12.594,637 12.408,638 22.92,639 13.709,640 24.75,641 14.758,642 26.584,643 15.856,644 28.422,645 16.687,646 0.577,647 3.812,648 4.276,649 4.501,650 4,651 1.504,652 6,653 3.611,654 5.907,655 1.504,656 3.43,657 1.439,658 1.088,659 14.687,660 1.365,661 10,662 2.14,663 1,664 9.665,665 11.304,666 5672,667 6.176,668 6.176,669 4.915,670 0.724,671 0.512,672 0.142,673 3.396,674 3.768,675 1.079,676 1.403,677 3.84,678 1.476,679 46.574,680 1.62,681 6,682 1.409,683 1.553,684 0.857,685 0.875,686 0.292,687 2.762,688 3.37,689 44.76,690 44.76,691 0.422,692 0.422,693 1.284,694 1.284,695 31.827,696 3.989,697 3.892,698 5.125,700 4.388,701 7.393,702 1.931,703 2.798,704 3.932,705 3.951,706 2,707 0.894,708 5.365,709 6.886,712 1.057,713 0.858,714 4.737,715 4.928,716 4.252,717 0.007,718 0.114,719 -0.125,723 0.949,724 6.886,725 1.505,726 2.03,728 179.231,729 179.231,730 1.473,731 211.88,732 3.392,733 1.419,734 2.424,735 2.94,736 3.555,737 4.218,738 4.901,739 5.594,740 2.837,741 1.419,742 0.53,743 2.46,744 0.057,745 0.043,746 0.621,747 0.007,748 23.997,749 21.272,750 1.753,751 15,752 4,753 0.865,754 13.515,755 0.397,756 3.838,757 18.5,758 3.838,760 4.036,761 1.505,762 9,763 1.062,764 2.816,765 1.923,771 4}
{0 CHEMBL589510,1 1.315,2 2,3 1,4 1,5 1,6 8,7 10,8 3.843,9 0.988,10 0.766,11 1.315,12 -0.139,13 -0.055,15 1,16 2,17 2,18 2,19 1,20 1,21 2,22 2,23 1,24 1,25 1,26 2,27 172.581,28 172.581,29 132.006,30 0.553,31 4.849,32 1.38,33 3.843,37 10.352,38 5.129,39 2.407,40 0.022,41 2.869,42 2,43 1,46 105.646,47 0.154,49 1,51 4.869,52 2.869,53 0.466,54 0.087,55 0.53,56 3.435,57 2.327,58 21.738,59 1.412,60 1,61 172.581,62 6.031,63 2.829,64 8.595,65 2.829,66 8.595,67 4.829,68 6.031,69 2.829,70 8.595,73 0.016,74 -0.002,75 -0.016,76 7,77 15,78 -0.251,79 4.592,80 3.977,81 3.995,82 3.925,83 3.91,84 3.91,85 8.292,86 148.666,87 8.773,88 8.773,89 0.553,90 2.022,91 5.051,92 -0.851,95 30.278,96 52.123,97 3.302,98 1.577,99 15.721,100 0.955,101 -0.066,102 7.9,103 0.234,107 1,109 3,114 1.663,115 1.662,117 1.212,118 9.849,119 11.567,120 12.524,121 14.088,122 15.178,123 0.095,124 42.674,125 5.339,126 4.314,127 -0.185,128 1.104,129 4.826,130 1.979,131 164.666,132 23.896,133 26.045,134 28.137,135 13.964,136 30.277,137 15.023,138 15.973,139 32.392,140 16.026,141 122.592,142 1.269,143 0.041,144 0.562,145 11.345,146 3.216,147 3.283,148 3.048,149 2.972,150 2.982,151 1.18,152 1.109,153 1.452,154 172.666,155 6.666,156 6.457,157 5.43,158 3.414,159 2.275,161 3.204,162 2.275,163 8.501,164 4.007,165 4.527,166 4.691,167 9.788,168 44.633,169 4.938,170 3.538,171 3.547,172 5.378,173 3.426,174 3.388,175 3.3,176 0.67,177 5.762,178 7.484,179 4.494,180 5.432,181 3.145,182 15.085,183 15.085,184 15.085,185 15.085,186 15.085,187 13.233,188 9.256,189 15.371,190 3.811,191 1.872,192 47,193 2.381,194 1.063,195 -0.012,196 0.58,197 -0.394,198 -0.529,199 -0.763,200 -0.378,201 0.812,202 -0.17,203 2,204 0.399,205 -0.579,206 -0.786,207 -1.102,208 -0.554,209 2,210 -1.315,211 -2.075,212 -0.767,214 -1,215 12.75,216 5367,217 4.425,218 849.207,219 9944.07,220 4.398,221 104.727,222 21.917,223 3.178,224 3.178,225 23,226 22,227 7.167,228 5.194,229 29,230 52.333,232 6,233 3.567,234 150.743,235 90.107,236 4.71,237 -0.394,238 -0.579,239 -0.763,240 -1.102,241 -2.075,242 2.381,243 5438,244 9557,245 2.938,246 2.854,247 3.959,248 2.715,249 2.854,250 2.735,251 3.674,252 2.715,253 0.183,254 0.262,255 0.167,256 0.123,257 0.374,258 0.125,259 0.856,260 1.077,261 0.821,262 1.181,263 0.821,264 3.85,265 10.724,266 10.363,267 10.724,268 66.944,269 22.484,270 0.779,271 0.303,272 10.641,273 2.925,274 4.304,275 4.138,276 3.922,277 11.667,278 290.71,279 1.414,280 1.416,282 4.81,283 29.449,284 5.868,285 11,286 3.912,287 3.46,290 3.743,291 3.119,292 2.076,293 2.952,294 2.5,295 2.5,296 1.026,297 1.5,298 0.657,299 0.5,300 0.002,301 -1,302 -0.985,303 0.5,304 1.534,305 -1,306 -1.5,307 -2.911,308 0.181,309 0.109,310 3.584,311 19,313 3.526,314 1,315 38.858,316 33,317 0.657,318 6.866,319 -1,320 -1,321 -2.911,322 3.119,323 2.076,324 34.545,325 3.883,326 3.815,327 3.815,328 4.381,329 1.854,330 0.886,331 1.181,332 0.218,333 1.107,334 8.059,335 7.236,336 7.236,337 112.525,338 123.973,339 176.567,343 3.797,350 3.797,351 16.651,352 17.825,353 19.241,354 20.468,355 6.797,356 3.797,357 2.82,359 7.796,360 1.572,361 0.599,365 1.495,366 4.213,367 4.213,368 1.49,369 1.49,371 0.661,372 5.525,373 3.238,374 4.592,375 47.145,376 47.145,377 39,378 3.347,379 176.666,380 4.488,381 1.595,382 3.563,383 85.027,384 1.404,385 6.607,386 1.97,387 0.155,388 1.347,389 6.755,390 3.309,391 3.288,392 1,393 1.34,394 0.446,395 0.699,396 0.395,397 2.45,398 4.032,399 0.446,400 0.699,401 32.513,402 31.751,403 11.236,404 11.236,405 11.236,406 11.236,407 11.236,408 160.953,409 384.485,410 4.309,411 4.456,412 4.533,413 6.384,414 2.035,415 3.536,416 31.812,417 5.44,418 14.774,419 4.054,420 5.485,421 4.354,422 4.082,423 408.064,424 1.057,425 36.739,426 0.942,427 11.543,428 -0.06,429 3.697,430 5.345,431 1,432 6.103,433 6.768,434 4.221,435 34.655,436 2.833,437 49.956,438 49.956,439 12.283,440 6.397,441 11.594,442 292.35,443 15.786,444 8.551,445 2.48,446 0.574,447 0.238,448 12.051,449 0.123,450 672,451 7.879,452 2.379,453 4.541,454 3.29,455 3.217,456 5.125,457 3.128,458 9.451,459 199.421,460 38,461 38.051,462 0.885,463 1.062,464 1.066,465 1.466,466 3.971,467 4.168,468 16,469 7.12,470 9.115,471 0.86,472 5.679,473 15.786,474 0.58,475 7.054,476 -0.543,478 2.369,479 3.414,480 5.639,481 0.133,482 3.635,483 1.966,484 0.674,485 3.43,486 2,487 1,489 3.226,490 12.618,491 22.5,492 3.317,493 0.324,495 -0.104,496 1.824,497 87.459,498 3.63,499 29,500 0.412,501 3.401,502 4.654,503 5.451,504 15.047,505 4.078,506 0.412,507 34.148,508 32.577,509 0.13,510 5.094,511 6.535,512 104,513 116,514 3.318,515 0.745,516 5.121,517 0.818,518 47.145,519 4,520 3.238,521 3.562,522 16.673,524 3.551,525 3.594,526 1,527 1.353,528 1,529 1.353,530 5.484,531 3.004,532 1.14,533 25.359,534 2.275,535 2.275,536 1.123,537 1.5,538 19.295,539 10,540 4.864,541 4.951,542 3.406,543 7.946,545 3.793,546 4.282,547 3.458,548 7.693,549 3.559,550 3.412,551 1.064,552 0.66,553 1,554 0.241,555 0.959,556 1.637,557 3.684,558 3.15,559 2.197,560 2.197,562 0.558,564 2.268,570 3.562,571 0.716,572 0.142,576 2,578 2.687,579 94,580 235.482,581 4.278,582 10.5,583 0.05,584 7.562,585 8.046,586 33.857,587 4,589 343.207,590 329.33,591 308,592 2.959,593 0.67,594 2.08,596 2.661,597 1.075,598 2.661,599 0.184,600 47.145,601 3.453,602 4.696,603 6.267,604 7.083,605 5.38,606 5.557,607 5.517,608 0.016,609 33.594,612 0.674,613 3.084,614 11,615 2.187,616 6.568,617 26.455,618 0.625,619 0.809,620 2.96,621 2.763,622 2.768,623 1.529,625 9,626 4.861,627 23.633,628 13.642,629 15.447,630 17.703,631 9.896,632 19.669,633 11.036,634 21.848,635 20.343,636 11.923,637 11.91,638 22.086,639 13,640 23.834,641 13.946,642 25.586,643 14.992,644 27.342,645 14.543,646 0.575,647 3.706,648 4.155,649 4.351,650 3,651 1.395,652 5,653 3.434,654 5.682,655 1.395,656 3.124,657 1.469,658 1.107,659 12.345,660 1.398,661 12,662 1.981,663 1,664 9.252,665 11.132,666 4484,667 5.201,668 5.201,669 4.17,670 0.605,671 0.367,672 0.152,673 3.296,674 3.584,675 0.757,676 1.15,677 3.827,678 1.485,679 41.95,680 1.636,681 6,682 1.375,683 1.48,684 0.848,685 0.881,686 0.294,687 2.735,688 2.998,689 35.53,690 35.53,691 0.245,692 0.245,693 1,694 1,695 26.584,696 3.807,697 3.714,698 4.972,700 4.205,701 7.199,702 1.935,703 2.69,704 3.761,705 3.761,706 1,707 0.828,708 5.284,709 6.719,712 0.824,713 1.01,714 4.333,715 4.544,716 3.914,717 -0.05,718 0.001,719 -0.139,723 0.886,724 6.719,725 1.472,726 2.038,728 172.581,729 172.581,730 1.453,731 188.338,732 3.552,733 1.419,734 2.322,735 2.896,736 3.538,737 4.211,738 4.899,739 5.593,740 2.837,741 1.419,742 0.531,743 2.129,744 0.062,745 0.047,746 0.632,747 0.01,748 19.065,749 14.12,750 1.985,751 15,752 4,753 0.959,754 12.994,755 0.362,756 3.659,757 18,758 3.659,760 3.933,761 1.502,762 11,763 0.965,764 2.687,765 1.922,771 4}
{0 CHEMBL589903,1 1.357,2 2,3 1,4 1,5 1,6 9,7 9,8 3.903,9 1.039,10 0.828,11 1.357,12 -0.184,13 -0.07,15 1,16 3,17 2,18 2,19 1,20 1,21 2,22 3,23 1,24 1,25 1,26 3,27 179.231,28 179.231,29 138.656,30 0.552,31 4.911,32 1.364,33 3.903,37 15.785,38 5.16,39 2.388,40 0.035,41 2.898,42 2,43 1,46 107.052,47 0.163,49 1,51 4.898,52 2.898,53 0.467,54 0.085,55 0.776,56 3.466,57 2.297,58 24.941,59 1.532,60 1,61 179.231,62 6.177,63 2.92,64 9.178,65 2.92,66 9.178,67 4.92,68 6.177,69 2.92,70 9.178,73 0.017,74 -0.012,75 -0.033,76 9,77 17,78 -0.19,79 4.592,80 3.984,81 3.998,82 3.937,83 3.911,84 3.914,85 9.118,86 177.316,87 9.505,88 9.505,89 0.578,90 2.088,91 5.319,92 -0.823,95 30.278,96 52.123,97 3.195,98 1.593,99 17.649,100 0.93,101 -0.106,102 9.5,103 0.237,107 1,109 3,114 1.656,115 1.653,117 1.13,118 10.133,119 11.802,120 12.879,121 14.411,122 15.608,123 0.201,124 48.577,125 5.447,126 4.321,127 -0.19,128 1.109,129 4.802,130 1.969,131 202.968,132 24.864,133 27.087,134 29.259,135 14.31,136 31.469,137 15.377,138 16.588,139 33.657,140 16.403,141 138.787,142 1.374,143 0.048,144 0.757,145 12.237,146 3.289,147 3.342,148 3.137,149 2.998,150 3.019,151 1.216,152 1.152,153 1.536,154 208.968,155 7.153,156 6.901,157 5.816,158 3.379,159 2.421,161 3.492,162 2.421,163 9.432,164 4.078,165 4.62,166 4.762,167 9.912,168 47.657,169 5.044,170 3.714,171 3.753,172 5.666,173 3.661,174 3.642,175 3.562,176 0.888,177 7.513,178 9.265,179 6.596,180 8.201,181 3.227,182 16.455,183 16.455,184 16.455,185 16.455,186 16.455,187 14.603,188 10.01,189 16.913,190 3.893,191 1.667,192 52,193 2.35,194 1.592,195 0.705,196 1.189,197 0.271,198 0.393,199 0.437,200 0.246,201 0.886,202 0.048,203 2.228,204 0.543,205 -0.408,206 -0.508,207 -0.77,208 -0.383,209 2.171,210 -0.852,211 -1.19,212 -0.453,213 0.211,214 -0.777,215 14.25,216 6185,217 4.554,218 994.278,219 12121.3,220 4.513,221 116.07,222 21.611,223 3.258,224 3.258,225 25,226 24,227 8.25,228 5.722,229 34,230 57.5,232 7,233 3.624,234 175.655,235 110.039,236 4.779,237 0.271,238 -0.408,239 0.437,240 -0.77,241 -1.19,242 2.35,243 6321,244 11220,245 3.177,246 2.928,247 4.233,248 2.771,249 2.889,250 2.742,251 3.998,252 2.74,253 0.172,254 0.247,255 0.156,256 0.117,257 0.367,258 0.116,259 1.069,260 1.428,261 0.868,262 1.142,263 0.826,264 3.932,265 11.673,266 11.158,267 11.673,268 73.752,269 23.796,270 0.846,271 0.299,272 12.768,273 2.934,274 4.53,275 4.449,276 4.299,277 13,278 316.8,279 1.413,280 1.417,282 6.469,283 30.751,284 6.008,285 9,286 4.222,287 3.456,290 3.714,291 3.057,292 2.223,293 3.051,294 2.865,295 2.627,296 1.197,297 1.647,298 0.729,299 0.876,300 0.378,301 -0.596,302 -0.565,303 0.685,304 1.723,305 -0.8,306 -1.077,307 -1.993,308 -0.05,309 -0.038,310 3.714,311 20,313 3.584,314 0.875,315 55.101,316 35,317 0.729,318 7.017,319 -0.596,320 -0.8,321 -1.993,322 3.057,323 2.223,324 37.724,325 3.89,326 3.816,327 3.818,328 4.582,329 1.855,330 1.148,331 1.51,332 0.54,333 1.457,334 8.201,335 7.937,336 7.937,337 125.404,338 139.963,339 200.109,343 3.949,350 3.949,351 17.067,352 18.333,353 19.75,354 21.055,355 6.949,356 3.949,357 2.957,359 8.132,360 1.583,361 0.622,365 1.485,366 4.301,367 4.301,368 1.675,369 1.675,371 0.68,372 5.619,373 3.487,374 4.592,375 58.145,376 58.145,377 43,378 3.342,379 214.968,380 4.826,381 1.614,382 3.636,383 94.764,384 1.421,385 6.753,386 1.968,387 0.151,388 1.456,389 7.284,390 3.368,391 3.358,392 0.941,393 1.32,394 0.464,395 0.673,396 0.394,397 2.759,398 4.108,399 0.464,400 0.673,401 35.323,402 34.109,403 12.169,404 12.169,405 12.169,406 12.169,407 12.169,408 174.541,409 417.641,410 4.391,411 4.519,412 4.65,413 6.983,414 2.194,415 3.529,416 42.398,417 5.44,418 15.897,419 4.503,420 5.658,421 4.647,422 4.49,423 449.256,424 1.101,425 45.363,426 0.93,427 16.681,428 -0.14,429 3.791,430 5.628,431 1,432 8.317,433 7.701,434 4.684,435 37.934,436 2.991,437 56.98,438 56.98,439 13.614,440 6.5,441 12.699,442 322.38,443 17.364,444 9.417,445 2.626,446 0.637,447 0.265,448 12.319,449 0.118,450 832,451 7.896,452 2.396,453 4.74,454 3.548,455 3.47,456 5.481,457 3.371,458 10.986,459 226.477,460 42,461 42.262,462 0.869,463 1.063,464 1.075,465 1.582,466 4.282,467 4.498,468 18,469 7.343,470 9.272,471 0.86,472 6.477,473 17.364,474 0.594,475 8.477,476 -0.287,478 2.488,479 3.511,480 5.76,481 0.127,482 3.781,483 1.97,484 0.66,485 3.435,486 2.286,487 1.275,489 3.304,490 15.287,491 25.267,492 3.536,493 0.406,495 -0.131,496 2.082,497 93.922,498 3.737,499 32,500 0.533,501 3.497,502 4.745,503 5.557,504 16.356,505 4.174,506 0.533,507 36.966,508 35.427,509 0.16,510 5.187,511 6.648,512 114,513 129,514 3.328,515 0.792,516 5.495,517 0.771,518 58.145,519 5,520 3.456,521 4.045,522 20.667,524 3.656,525 3.65,526 1.111,527 1.541,528 1.111,529 1.541,530 5.586,531 3.296,532 1.134,533 27.6,534 2.661,535 2.661,536 1.124,537 1.904,538 25.512,539 8,540 4.93,541 5.057,542 3.396,543 8.807,545 3.896,546 4.408,547 3.47,548 7.676,549 3.55,550 3.403,551 1.065,552 0.745,553 1,554 0.163,555 0.996,556 1.667,557 3.765,558 3.166,559 2.23,560 2.23,562 0.567,564 2.242,570 3.554,571 0.838,572 0.243,576 3,578 2.753,579 100,580 270.024,581 4.528,582 11.333,583 0.091,584 7.851,585 8.786,586 37.419,587 4.5,589 398.942,590 375.607,591 352,592 3.187,593 0.33,594 2.081,596 3.634,597 1.115,598 3.634,599 0.188,600 58.145,601 4.114,602 4.899,603 6.392,604 7.225,605 5.501,606 5.694,607 5.629,608 0.131,609 55.308,612 0.847,613 2.924,614 12,615 2.373,616 7.053,617 28.671,618 1.188,619 0.987,620 3.25,621 2.926,622 2.929,623 1.58,625 8,626 4.845,627 23.474,628 14.152,629 16.071,630 18.402,631 10.268,632 20.471,633 11.413,634 22.726,635 20.81,636 12.375,637 12.218,638 22.595,639 13.47,640 24.383,641 14.48,642 26.176,643 15.554,644 27.971,645 15.492,646 0.577,647 3.812,648 4.276,649 4.491,650 4,651 1.523,652 6,653 3.611,654 5.862,655 1.523,656 3.391,657 1.459,658 1.098,659 14.687,660 1.365,661 10,662 2.056,663 1,664 9.553,665 11.276,666 5672,667 5.992,668 5.992,669 4.858,670 0.679,671 0.424,672 0.14,673 3.396,674 3.741,675 1.133,676 1.279,677 3.841,678 1.479,679 46.574,680 1.703,681 5,682 1.389,683 1.549,684 0.896,685 0.874,686 0.291,687 2.779,688 3.322,689 44.76,690 44.76,691 0.311,692 0.311,693 1.299,694 1.299,695 31.827,696 3.989,697 3.912,698 5.103,700 4.388,701 7.346,702 1.909,703 2.778,704 3.932,705 3.932,706 2,707 0.894,708 5.279,709 6.709,712 1.057,713 0.91,714 4.833,715 4.975,716 4.335,717 0.007,718 0.114,719 -0.125,723 0.949,724 6.709,725 1.497,726 2.027,728 179.231,729 179.231,730 1.456,731 211.88,732 3.481,733 1.419,734 2.424,735 2.94,736 3.555,737 4.218,738 4.901,739 5.594,740 2.837,741 1.419,742 0.512,743 2.478,744 0.057,745 0.044,746 0.698,747 0.01,748 23.529,749 19.51,750 1.926,751 15,752 4,753 0.865,754 13.306,755 0.413,756 3.807,757 18.5,758 3.807,760 4.036,761 1.509,762 9,763 1.023,764 2.802,765 1.923,771 4}
{0 CHEMBL589904,1 1.387,2 2,3 1,4 1,5 1,6 11,7 9,8 4.074,9 1.08,10 0.904,11 1.387,12 -0.217,13 -0.107,15 1,16 4,17 2,18 2,19 1,20 1,21 2,22 4,23 1,24 1,25 1,26 4,27 185.882,28 185.882,29 145.306,30 0.551,31 5.083,32 1.351,33 4.074,37 21.335,38 5.174,39 2.387,40 0.044,41 2.975,42 2,43 1,46 108.459,47 0.17,49 1,51 4.975,52 2.975,53 0.468,54 0.084,55 1.045,56 3.467,57 2.322,58 28.09,59 1.047,60 1,61 185.882,62 6.688,63 3.122,64 10.788,65 3.122,66 10.788,67 5.122,68 6.688,69 3.122,70 10.788,73 0.017,74 -0.022,75 -0.049,76 7,77 19,78 -0.137,79 4.592,80 3.991,81 4.001,82 3.95,83 3.912,84 3.918,85 9.912,86 192.535,87 10.14,88 10.14,89 0.581,90 2.224,91 5.442,92 -0.798,95 30.278,96 52.123,97 3.127,98 1.599,99 19.583,100 0.91,101 -0.142,102 10.9,103 0.238,107 1,109 3,114 1.661,115 1.656,117 1.071,118 10.416,119 12.052,120 13.236,121 14.759,122 16.05,123 0.43,124 55.096,125 5.536,126 4.471,127 -0.171,128 1.113,129 4.803,130 1.957,131 214.8,132 26.267,133 28.644,134 30.989,135 14.67,136 33.362,137 15.757,138 17.323,139 35.722,140 16.816,141 151.765,142 1.442,143 0.053,144 0.832,145 13.134,146 3.293,147 3.346,148 3.137,149 3,150 3.02,151 1.22,152 1.155,153 1.545,154 223.555,155 7.646,156 7.352,157 6.212,158 3.503,159 2.426,161 3.781,162 2.426,163 10.107,164 4.143,165 4.718,166 4.828,167 10.038,168 50.723,169 5.14,170 3.87,171 3.925,172 5.894,173 3.856,174 3.857,175 3.744,176 1.135,177 9.684,178 12.367,179 9.059,180 12.362,181 3.303,182 17.878,183 17.878,184 17.878,185 17.878,186 17.878,187 15.998,188 10.74,189 18.487,190 3.969,191 1.686,192 57,193 2.389,194 1.699,195 0.839,196 1.189,197 0.288,198 0.393,199 0.437,200 0.246,201 1.385,202 0.705,203 2.478,204 1.13,205 0.271,206 0.311,207 0.363,208 0.241,209 2.323,210 -0.504,211 -0.772,212 0.037,213 0.378,214 -0.513,215 15.75,216 7379,217 4.671,218 1178.58,219 15090.4,220 4.62,221 128.593,222 23.763,223 3.332,224 3.332,225 27,226 26,227 9.333,228 6.278,229 40,230 62.667,232 8,233 3.708,234 200.577,235 120.211,236 4.844,237 0.288,238 0.271,239 0.437,240 0.363,241 -0.772,242 2.389,243 7577,244 13592,245 3.234,246 3.177,247 4.321,248 2.889,249 2.917,250 2.769,251 4.233,252 2.762,253 0.166,254 0.248,255 0.151,256 0.116,257 0.4,258 0.11,259 1.113,260 1.505,261 1.063,262 1.495,263 0.857,264 4.007,265 12.638,266 11.984,267 12.638,268 80.66,269 25.302,270 0.915,271 0.296,272 14.916,273 2.956,274 4.738,275 4.69,276 4.611,277 14.333,278 342.89,279 1.413,280 1.418,282 7.073,283 34.382,284 6.154,285 8,286 4.186,287 3.463,290 3.751,291 3.115,292 2.364,293 3.157,294 2.94,295 2.645,296 1.82,297 1.666,298 1.049,299 0.888,300 0.546,301 -0.405,302 -0.38,303 0.876,304 2.175,305 -0.589,306 -0.675,307 -1.029,308 -0.16,309 -0.07,310 3.85,311 21,313 3.638,314 0.875,315 71.344,316 37,317 1.049,318 7.166,319 -0.405,320 -0.589,321 -1.029,322 3.115,323 2.364,324 40.75,325 3.896,326 3.816,327 3.822,328 4.582,329 1.856,330 1.183,331 1.567,332 0.569,333 1.525,334 8.342,335 8.723,336 8.723,337 138.282,338 158.171,339 223.651,343 4.181,350 4.181,351 17.518,352 18.866,353 20.307,354 21.687,355 7.181,356 4.181,357 2.957,359 8.693,360 1.588,361 0.626,365 1.486,366 4.483,367 4.483,368 1.818,369 1.818,371 0.695,372 5.74,373 3.604,374 4.592,375 69.144,376 69.144,377 47,378 3.348,379 237.819,380 5.142,381 1.619,382 3.705,383 105.035,384 1.424,385 6.886,386 1.967,387 0.147,388 1.513,389 7.819,390 3.424,391 3.424,392 1.153,393 1.689,394 0.728,395 1.494,396 0.689,397 2.767,398 4.179,399 0.728,400 1.494,401 38.154,402 36.486,403 13.067,404 13.067,405 13.067,406 13.067,407 13.067,408 188.13,409 450.797,410 4.47,411 4.579,412 4.755,413 7.553,414 2.361,415 3.534,416 57.552,417 5.44,418 17.093,419 4.954,420 5.82,421 4.897,422 4.868,423 490.448,424 1.139,425 55.488,426 0.919,427 18.689,428 -0.173,429 3.89,430 5.796,431 1,432 9.099,433 8.634,434 5.137,435 40.287,436 3.069,437 63.797,438 63.797,439 14.945,440 6.626,441 13.755,442 352.41,443 18.941,444 10.29,445 2.752,446 0.696,447 0.288,448 12.442,449 0.157,450 1000,451 7.91,452 2.41,453 4.91,454 3.71,455 3.601,456 5.612,457 3.488,458 11.517,459 254.084,460 46,461 46.473,462 0.902,463 1.073,464 1.092,465 1.686,466 4.394,467 4.606,468 20,469 7.561,470 9.438,471 0.86,472 7.281,473 18.941,474 0.606,475 9.715,476 0.05,478 2.541,479 3.683,480 5.877,481 0.125,482 3.899,483 1.974,484 0.661,485 3.441,486 2.299,487 1.287,489 3.299,490 18.084,491 28.033,492 3.742,493 0.447,495 -0.168,496 2.381,497 100.385,498 3.835,499 35,500 0.533,501 3.584,502 4.828,503 5.659,504 17.665,505 4.263,506 0.533,507 39.762,508 38.289,509 0.202,510 5.273,511 6.756,512 124,513 143,514 3.332,515 0.825,516 5.701,517 0.731,518 69.144,519 5,520 3.551,521 4.495,522 25.586,524 3.751,525 3.703,526 1.145,527 2.139,528 1.145,529 2.139,530 5.686,531 3.59,532 1.104,533 29.842,534 2.689,535 2.689,536 1.125,537 1.93,538 31.475,539 6,540 4.979,541 5.239,542 3.397,543 9.668,545 3.99,546 4.521,547 3.475,548 7.661,549 3.554,550 3.406,551 1.065,552 0.819,553 1,554 0.149,555 1.134,556 1.69,557 3.84,558 3.241,559 2.289,560 2.289,562 0.575,564 2.277,570 3.617,571 0.914,572 0.337,576 4,578 2.798,579 116,580 304.567,581 4.711,582 12.167,583 0.128,584 8.091,585 9.524,586 41.204,587 4.5,589 454.678,590 421.783,591 396,592 3.238,593 0.5,594 2.167,596 3.75,597 1.171,598 3.75,599 0.191,600 69.144,601 4.157,602 4.893,603 6.512,604 7.363,605 5.617,606 5.826,607 5.721,608 0.215,609 58.823,612 0.91,613 2.936,614 13,615 2.373,616 7.558,617 30.887,618 1.75,619 1.164,620 3.299,621 2.976,622 2.988,623 1.585,625 7,626 4.829,627 23.315,628 14.768,629 16.871,630 19.312,631 10.668,632 21.561,633 11.834,634 23.953,635 21.383,636 12.878,637 12.527,638 23.23,639 14.011,640 25.084,641 15.096,642 26.943,643 16.219,644 28.807,645 17.977,646 0.566,647 3.908,648 4.383,649 4.619,650 5,651 1.567,652 7,653 3.761,654 6.038,655 1.567,656 3.529,657 1.461,658 1.444,659 17.019,660 1.337,661 8,662 2.137,663 1,664 9.732,665 11.426,666 6916,667 7.01,668 7.01,669 5.455,670 0.702,671 0.424,672 0.13,673 3.487,674 3.916,675 0.898,676 1.129,677 3.852,678 1.473,679 51.199,680 1.904,681 4,682 1.393,683 1.556,684 1.067,685 0.869,686 0.29,687 2.892,688 3.491,689 53.99,690 53.99,691 0.312,692 0.312,693 1.318,694 1.318,695 37.071,696 4.143,697 4.094,698 5.215,700 4.543,701 7.494,702 2.094,703 3.155,704 4.094,705 4.094,706 3,707 0.886,708 5.687,709 7.481,712 1.13,713 0.924,714 4.67,715 4.86,716 4.47,717 0.051,718 0.203,719 -0.108,723 0.936,724 7.481,725 1.526,726 2.021,728 185.882,729 185.882,730 1.445,731 235.422,732 3.481,733 1.419,734 2.516,735 2.982,736 3.572,737 4.224,738 4.904,739 5.595,740 2.837,741 1.419,742 0.967,743 2.492,744 0.053,745 0.043,746 0.886,747 0.009,748 27.902,749 24.71,750 2.176,751 15,752 4,753 0.791,754 13.63,755 0.448,756 3.816,757 19,758 3.816,760 4.137,761 1.509,762 9,763 1.005,764 2.957,765 1.923,771 4}
{0 CHEMBL592268,1 1.357,2 2,3 1,4 1,5 1,6 9,7 9,8 3.896,9 1.031,10 0.829,11 1.357,12 -0.184,13 -0.071,15 1,16 3,17 2,18 2,19 1,20 1,21 2,22 3,23 1,24 1,25 1,26 3,27 179.231,28 179.231,29 138.656,30 0.553,31 4.904,32 1.364,33 3.896,37 15.732,38 5.135,39 2.39,40 0.031,41 2.887,42 2,43 1,46 107.052,47 0.163,49 1,51 4.887,52 2.887,53 0.467,54 0.085,55 0.714,56 3.47,57 2.346,58 24.741,59 1.31,60 1,61 179.231,62 6.176,63 2.916,64 9.176,65 2.916,66 9.176,67 4.916,68 6.176,69 2.916,70 9.176,73 0.017,74 -0.012,75 -0.033,76 9,77 17,78 -0.245,79 4.592,80 3.984,81 3.998,82 3.937,83 3.911,84 3.914,85 9.112,86 171.806,87 9.493,88 9.493,89 0.578,90 2.088,91 5.241,92 -0.823,95 30.278,96 52.123,97 3.213,98 1.587,99 17.649,100 0.93,101 -0.106,102 9.5,103 0.237,107 1,109 3,114 1.664,115 1.659,117 1.184,118 10.125,119 11.792,120 12.861,121 14.392,122 15.581,123 0.151,124 48.748,125 5.447,126 4.324,127 -0.221,128 1.109,129 4.804,130 1.969,131 190.703,132 24.795,133 27.011,134 29.179,135 14.276,136 31.384,137 15.339,138 16.539,139 33.568,140 16.361,141 138.787,142 1.374,143 0.048,144 0.735,145 12.237,146 3.288,147 3.341,148 3.136,149 2.997,150 3.019,151 1.216,152 1.151,153 1.532,154 198.213,155 7.153,156 6.901,157 5.815,158 3.414,159 2.275,161 3.487,162 2.275,163 9.415,164 4.078,165 4.62,166 4.762,167 9.912,168 47.662,169 5.044,170 3.706,171 3.737,172 5.583,173 3.63,174 3.59,175 3.506,176 0.863,177 7.336,178 9.281,179 6.08,180 7.593,181 3.227,182 16.455,183 16.455,184 16.455,185 16.455,186 16.455,187 14.603,188 9.97,189 16.913,190 3.893,191 1.924,192 52,193 2.404,194 1.592,195 0.789,196 1.191,197 0.248,198 0.357,199 0.408,200 0.231,201 1.015,202 0.069,203 2.182,204 0.559,205 -0.385,206 -0.477,207 -0.722,208 -0.359,209 2.123,210 -0.732,211 -0.963,212 -0.464,213 0.129,214 -0.779,215 14.25,216 6425,217 4.551,218 1017.38,219 12532.3,220 4.513,221 116.88,222 23.833,223 3.258,224 3.258,225 25,226 24,227 8.25,228 5.722,229 34,230 57.5,232 7,233 3.66,234 174.005,235 106.039,236 4.779,237 0.248,238 -0.385,239 0.408,240 -0.722,241 -0.963,242 2.404,243 6553,244 11652,245 3.177,246 2.935,247 4.212,248 2.776,249 2.854,250 2.735,251 3.986,252 2.715,253 0.172,254 0.247,255 0.156,256 0.117,257 0.367,258 0.115,259 1.068,260 1.424,261 0.868,262 1.181,263 0.821,264 3.932,265 11.673,266 11.158,267 11.673,268 73.752,269 23.995,270 0.846,271 0.299,272 12.865,273 2.925,274 4.52,275 4.422,276 4.211,277 13,278 316.8,279 1.413,280 1.417,282 6.229,283 30.773,284 6.003,285 9,286 4.091,287 3.469,290 3.76,291 3.125,292 2.234,293 3.072,294 2.85,295 2.5,296 1.179,297 1.5,298 0.759,299 0.884,300 0.487,301 -0.503,302 -0.487,303 0.579,304 2,305 -0.831,306 -1.079,307 -2.109,308 0.061,309 0.135,310 3.714,311 20,313 3.584,314 1,315 55.101,316 35,317 0.759,318 7.017,319 -0.503,320 -0.831,321 -2.109,322 3.125,323 2.234,324 37.655,325 3.89,326 3.816,327 3.818,328 4.582,329 1.855,330 1.146,331 1.506,332 0.537,333 1.453,334 8.198,335 8.005,336 8.005,337 125.404,338 139.963,339 200.109,343 3.948,350 3.948,351 17.039,352 18.298,353 19.714,354 21.014,355 6.948,356 3.948,357 2.959,359 8.132,360 1.577,361 0.617,365 1.491,366 4.298,367 4.298,368 1.681,369 1.681,371 0.68,372 5.623,373 3.458,374 4.592,375 58.145,376 58.145,377 43,378 3.332,379 206.968,380 4.823,381 1.61,382 3.636,383 94.752,384 1.412,385 6.739,386 1.968,387 0.151,388 1.44,389 7.284,390 3.368,391 3.358,392 0.941,393 1.32,394 0.464,395 0.674,396 0.394,397 2.772,398 4.108,399 0.464,400 0.674,401 35.328,402 34.108,403 12.152,404 12.152,405 12.152,406 12.152,407 12.152,408 174.541,409 417.641,410 4.391,411 4.519,412 4.65,413 6.983,414 2.194,415 3.539,416 36.932,417 5.44,418 15.897,419 4.503,420 5.66,421 4.631,422 4.396,423 449.256,424 1.102,425 44.899,426 0.93,427 16.568,428 -0.114,429 3.79,430 5.626,431 2,432 7.785,433 7.701,434 4.684,435 38.927,436 2.993,437 56.98,438 56.98,439 13.614,440 6.529,441 12.684,442 322.38,443 17.364,444 9.417,445 2.635,446 0.631,447 0.265,448 12.241,449 0.148,450 848,451 7.896,452 2.396,453 4.742,454 3.489,455 3.413,456 5.449,457 3.342,458 11.155,459 226.477,460 42,461 42.262,462 0.886,463 1.062,464 1.077,465 1.593,466 4.265,467 4.474,468 18,469 7.343,470 9.27,471 0.86,472 6.477,473 17.364,474 0.594,475 8.511,476 -0.127,478 2.47,479 3.433,480 5.786,481 0.129,482 3.78,483 1.97,484 0.664,485 3.425,486 2.299,487 1.288,489 3.304,490 15.151,491 25.267,492 3.536,493 0.447,495 -0.131,496 2.058,497 93.922,498 3.737,499 32,500 0.65,501 3.497,502 4.745,503 5.557,504 16.356,505 4.174,506 0.65,507 36.938,508 35.426,509 0.165,510 5.187,511 6.648,512 114,513 129,514 3.319,515 0.792,516 5.358,517 0.771,518 58.145,519 4,520 3.424,521 4.045,522 20.565,524 3.656,525 3.65,526 1,527 1.595,528 1,529 1.595,530 5.586,531 3.316,532 1.165,533 27.6,534 2.598,535 2.598,536 1.124,537 1.899,538 25.507,539 7,540 4.93,541 5.048,542 3.403,543 8.807,545 3.896,546 4.408,547 3.46,548 7.676,549 3.559,550 3.412,551 1.065,552 0.745,553 1,554 0.199,555 1.053,556 1.664,557 3.765,558 3.173,559 2.237,560 2.237,562 0.567,564 2.281,570 3.562,571 0.853,572 0.236,576 3,578 2.687,579 110,580 270.024,581 4.501,582 11.333,583 0.062,584 7.833,585 8.782,586 37.459,587 4.5,589 398.942,590 375.542,591 352,592 3.312,593 0.33,594 2.087,596 3.683,597 1.114,598 3.683,599 0.188,600 58.145,601 4.145,602 4.899,603 6.389,604 7.22,605 5.501,606 5.694,607 5.621,608 0.131,609 53.275,612 0.847,613 3.094,614 12,615 2.367,616 7.053,617 28.671,618 1.063,619 0.986,620 3.249,621 2.926,622 2.93,623 1.579,625 9,626 4.845,627 23.474,628 14.118,629 16.034,630 18.352,631 10.249,632 20.416,633 11.391,634 22.661,635 20.794,636 12.346,637 12.192,638 22.575,639 13.437,640 24.361,641 14.441,642 26.151,643 15.511,644 27.944,645 15.481,646 0.577,647 3.812,648 4.276,649 4.491,650 4,651 1.505,652 6,653 3.611,654 5.862,655 1.505,656 3.345,657 1.467,658 1.107,659 14.687,660 1.365,661 10,662 2.037,663 1,664 9.516,665 11.275,666 5672,667 5.926,668 5.926,669 4.74,670 0.641,671 0.51,672 0.14,673 3.396,674 3.741,675 0.947,676 1.016,677 3.841,678 1.478,679 46.574,680 1.731,681 5,682 1.38,683 1.546,684 0.845,685 0.874,686 0.291,687 2.78,688 3.279,689 44.76,690 44.76,691 0.385,692 0.385,693 1.309,694 1.309,695 31.827,696 3.989,697 3.912,698 5.089,700 4.388,701 7.343,702 1.935,703 2.783,704 3.932,705 3.912,706 2,707 0.86,708 5.313,709 6.86,712 0.959,713 0.851,714 4.541,715 4.719,716 4.252,717 0.007,718 0.114,719 -0.125,723 0.914,724 6.86,725 1.498,726 2.027,728 179.231,729 179.231,730 1.45,731 211.88,732 3.545,733 1.419,734 2.424,735 2.94,736 3.555,737 4.218,738 4.901,739 5.594,740 2.837,741 1.419,742 0.513,743 2.46,744 0.057,745 0.045,746 0.728,747 0.01,748 23.215,749 19.364,750 1.937,751 15,752 4,753 0.865,754 13.278,755 0.413,756 3.776,757 18.5,758 3.776,760 4.036,761 1.506,762 9,763 1.045,764 2.802,765 1.923,771 4}
{0 CHEMBL592303,1 1.387,2 2,3 1,4 1,5 1,6 11,7 9,8 4.074,9 1.072,10 0.906,11 1.387,12 -0.217,13 -0.108,15 1,16 4,17 2,18 2,19 1,20 1,21 2,22 4,23 1,24 1,25 1,26 4,27 185.882,28 185.882,29 145.306,30 0.552,31 5.083,32 1.351,33 4.074,37 21.277,38 5.147,39 2.389,40 0.041,41 2.974,42 2,43 1,46 108.459,47 0.17,49 1,51 4.974,52 2.974,53 0.468,54 0.083,55 0.985,56 3.471,57 2.378,58 27.874,59 0.858,60 1,61 185.882,62 6.688,63 3.122,64 10.788,65 3.122,66 10.788,67 5.122,68 6.688,69 3.122,70 10.788,73 0.017,74 -0.022,75 -0.049,76 7,77 19,78 -0.185,79 4.592,80 3.99,81 4.001,82 3.949,83 3.912,84 3.917,85 9.906,86 187.025,87 10.128,88 10.128,89 0.581,90 2.224,91 5.364,92 -0.798,95 30.278,96 52.123,97 3.146,98 1.592,99 19.583,100 0.91,101 -0.142,102 10.9,103 0.238,107 1,109 3,114 1.668,115 1.662,117 1.119,118 10.41,119 12.045,120 13.223,121 14.745,122 16.032,123 0.376,124 55.278,125 5.536,126 4.471,127 -0.199,128 1.113,129 4.805,130 1.956,131 205.29,132 26.251,133 28.628,134 30.975,135 14.646,136 33.349,137 15.731,138 17.3,139 35.711,140 16.788,141 151.765,142 1.442,143 0.053,144 0.809,145 13.134,146 3.292,147 3.346,148 3.137,149 2.999,150 3.02,151 1.22,152 1.155,153 1.543,154 215.555,155 7.646,156 7.352,157 6.211,158 3.428,159 2.275,161 3.776,162 2.275,163 10.096,164 4.143,165 4.718,166 4.828,167 10.038,168 50.728,169 5.14,170 3.863,171 3.912,172 5.829,173 3.831,174 3.815,175 3.698,176 1.108,177 9.489,178 12.349,179 8.56,180 11.756,181 3.303,182 17.878,183 17.878,184 17.878,185 17.878,186 17.878,187 15.998,188 10.699,189 18.487,190 3.969,191 1.962,192 57,193 2.421,194 1.699,195 0.853,196 1.191,197 0.289,198 0.357,199 0.409,200 0.242,201 1.385,202 0.79,203 2.462,204 1.13,205 0.247,206 0.31,207 0.363,208 0.23,209 2.293,210 -0.474,211 -0.725,212 0.038,213 0.488,214 -0.483,215 15.75,216 7651,217 4.667,218 1205.24,219 15574.7,220 4.62,221 129.417,222 26.012,223 3.332,224 3.332,225 27,226 26,227 9.333,228 6.278,229 40,230 62.667,232 8,233 3.744,234 198.811,235 118.211,236 4.844,237 0.289,238 0.247,239 0.409,240 0.363,241 -0.725,242 2.421,243 7841,244 14088,245 3.233,246 3.176,247 4.324,248 2.889,249 2.923,250 2.77,251 4.21,252 2.768,253 0.166,254 0.248,255 0.151,256 0.116,257 0.4,258 0.11,259 1.112,260 1.504,261 1.062,262 1.49,263 0.857,264 4.007,265 12.638,266 11.984,267 12.638,268 80.66,269 25.505,270 0.915,271 0.296,272 15.014,273 2.957,274 4.73,275 4.668,276 4.547,277 14.333,278 342.89,279 1.413,280 1.418,282 6.831,283 34.405,284 6.149,285 8,286 4.066,287 3.475,290 3.781,291 3.158,292 2.37,293 3.164,294 2.948,295 2.5,296 1.824,297 1.5,298 1,299 1.015,300 0.56,301 -0.383,302 -0.357,303 0.887,304 2.168,305 -0.501,306 -0.672,307 -0.952,308 -0.078,309 0.066,310 3.85,311 21,313 3.638,314 1,315 71.344,316 37,317 1,318 7.166,319 -0.383,320 -0.501,321 -0.952,322 3.158,323 2.37,324 40.681,325 3.896,326 3.816,327 3.822,328 4.582,329 1.856,330 1.182,331 1.567,332 0.569,333 1.525,334 8.34,335 8.791,336 8.791,337 138.282,338 158.171,339 223.651,343 4.181,350 4.181,351 17.5,352 18.845,353 20.287,354 21.665,355 7.181,356 4.181,357 2.96,359 8.693,360 1.581,361 0.621,365 1.492,366 4.483,367 4.483,368 1.821,369 1.821,371 0.695,372 5.744,373 3.579,374 4.592,375 69.144,376 69.144,377 47,378 3.339,379 229.819,380 5.138,381 1.614,382 3.705,383 105.022,384 1.415,385 6.863,386 1.967,387 0.147,388 1.506,389 7.819,390 3.424,391 3.424,392 1,393 1.713,394 0.756,395 1.537,396 0.713,397 2.785,398 4.179,399 0.756,400 1.537,401 38.159,402 36.485,403 13.051,404 13.051,405 13.051,406 13.051,407 13.051,408 188.13,409 450.797,410 4.47,411 4.579,412 4.755,413 7.553,414 2.361,415 3.543,416 52.075,417 5.44,418 17.093,419 4.954,420 5.822,421 4.884,422 4.804,423 490.448,424 1.181,425 54.969,426 0.919,427 18.577,428 -0.148,429 3.89,430 5.794,431 2,432 8.585,433 8.634,434 5.137,435 41.287,436 3.07,437 63.797,438 63.797,439 14.945,440 6.651,441 13.74,442 352.41,443 18.941,444 10.29,445 2.755,446 0.69,447 0.288,448 12.364,449 0.158,450 1024,451 7.91,452 2.41,453 4.912,454 3.66,455 3.551,456 5.583,457 3.463,458 11.673,459 254.084,460 46,461 46.473,462 0.889,463 1.072,464 1.107,465 1.69,466 4.379,467 4.584,468 20,469 7.561,470 9.435,471 0.86,472 7.281,473 18.941,474 0.606,475 9.74,476 0.07,478 2.53,479 3.681,480 5.9,481 0.126,482 3.898,483 1.974,484 0.665,485 3.431,486 2.316,487 1.302,489 3.299,490 17.933,491 28.033,492 3.742,493 0.487,495 -0.168,496 2.358,497 100.385,498 3.835,499 35,500 0.65,501 3.584,502 4.828,503 5.659,504 17.665,505 4.263,506 0.65,507 39.734,508 38.288,509 0.218,510 5.273,511 6.756,512 124,513 143,514 3.323,515 0.825,516 5.591,517 0.731,518 69.144,519 6,520 3.523,521 4.495,522 25.48,524 3.751,525 3.703,526 1.077,527 2.164,528 1.077,529 2.164,530 5.686,531 3.61,532 1.132,533 29.842,534 2.612,535 2.612,536 1.125,537 1.944,538 31.47,539 5,540 4.979,541 5.234,542 3.404,543 9.668,545 3.99,546 4.521,547 3.466,548 7.661,549 3.562,550 3.415,551 1.065,552 0.819,553 1,554 0.187,555 1.162,556 1.688,557 3.84,558 3.267,559 2.318,560 2.318,562 0.575,564 2.299,570 3.641,571 0.914,572 0.33,576 4,578 2.793,579 128,580 304.567,581 4.684,582 12.167,583 0.099,584 8.074,585 9.52,586 41.244,587 4.5,589 454.678,590 421.718,591 396,592 3.371,593 0.5,594 2.19,596 3.822,597 1.171,598 3.822,599 0.191,600 69.144,601 4.193,602 4.893,603 6.509,604 7.359,605 5.617,606 5.826,607 5.713,608 0.215,609 56.781,612 0.91,613 3.094,614 13,615 2.368,616 7.558,617 30.887,618 1.625,619 1.162,620 3.298,621 2.975,622 2.988,623 1.584,625 8,626 4.829,627 23.315,628 14.749,629 16.854,630 19.293,631 10.656,632 21.543,633 11.82,634 23.934,635 21.373,636 12.861,637 12.509,638 23.22,639 13.993,640 25.073,641 15.075,642 26.932,643 16.197,644 28.796,645 17.977,646 0.566,647 3.908,648 4.383,649 4.619,650 5,651 1.552,652 7,653 3.761,654 6.038,655 1.552,656 3.49,657 1.468,658 1.44,659 17.019,660 1.337,661 8,662 2.116,663 1,664 9.695,665 11.425,666 6916,667 6.944,668 6.944,669 5.337,670 0.665,671 0.51,672 0.129,673 3.487,674 3.916,675 0.768,676 0.919,677 3.852,678 1.472,679 51.199,680 1.917,681 3,682 1.384,683 1.555,684 1.031,685 0.869,686 0.29,687 2.892,688 3.455,689 53.99,690 53.99,691 0.385,692 0.385,693 1.335,694 1.335,695 37.071,696 4.143,697 4.094,698 5.203,700 4.543,701 7.491,702 2.095,703 3.161,704 4.094,705 4.06,706 3,707 0.857,708 5.687,709 7.476,712 1.058,713 0.871,714 4.463,715 4.686,716 4.21,717 0.051,718 0.203,719 -0.108,723 0.905,724 7.476,725 1.528,726 2.022,728 185.882,729 185.882,730 1.44,731 235.422,732 3.542,733 1.419,734 2.516,735 2.982,736 3.572,737 4.224,738 4.904,739 5.595,740 2.837,741 1.419,742 1.002,743 2.493,744 0.053,745 0.043,746 0.897,747 0.01,748 27.574,749 24.56,750 2.177,751 15,752 4,753 0.791,754 13.609,755 0.448,756 3.784,757 19,758 3.784,760 4.137,761 1.507,762 9,763 1.024,764 2.958,765 1.923,771 4}
{0 CHEMBL596610,1 1.387,2 2,3 1,4 1,5 1,6 10,7 9,8 4.077,9 1.091,10 0.917,11 1.387,12 -0.217,13 -0.12,15 1,16 4,17 2,18 2,19 1,20 1,21 2,22 4,23 1,24 1,25 1,26 4,27 185.882,28 185.882,29 145.306,30 0.55,31 5.086,32 1.351,33 4.077,37 21.429,38 5.21,39 2.385,40 0.049,41 2.997,42 2,43 1,46 108.459,47 0.17,49 1,51 4.997,52 2.997,53 0.469,54 0.084,55 1.067,56 3.429,57 2.333,58 28.364,59 0.734,60 1,61 185.882,62 6.688,63 3.123,64 10.788,65 3.123,66 10.788,67 5.123,68 6.688,69 3.123,70 10.788,73 0.017,74 -0.022,75 -0.049,76 7,77 19,78 -0.115,79 4.592,80 3.992,81 4.001,82 3.952,83 3.912,84 3.918,85 9.895,86 190.535,87 10.055,88 10.055,89 0.581,90 2.224,91 5.564,92 -0.798,95 30.278,96 52.123,97 3.1,98 1.616,99 19.583,100 0.91,101 -0.142,102 10.9,103 0.238,107 1,109 3,114 1.639,115 1.639,117 1.054,118 10.481,119 12.113,120 13.324,121 14.845,122 16.155,123 0.379,124 54.938,125 5.532,126 4.471,127 -0.161,128 1.113,129 4.796,130 1.958,131 212.8,132 26.5,133 28.872,134 31.212,135 14.843,136 33.577,137 15.942,138 17.494,139 35.929,140 17.018,141 151.765,142 1.442,143 0.053,144 0.852,145 13.138,146 3.293,147 3.347,148 3.137,149 3,150 3.021,151 1.22,152 1.155,153 1.548,154 223.555,155 7.652,156 7.36,157 6.22,158 3.582,159 2.449,161 3.79,162 2.449,163 9.951,164 4.143,165 4.732,166 4.828,167 10.053,168 50.725,169 5.141,170 3.895,171 3.962,172 5.896,173 3.896,174 3.899,175 3.785,176 1.194,177 10.183,178 12.974,179 9.301,180 12.877,181 3.304,182 17.93,183 17.93,184 17.93,185 17.93,186 17.93,187 16.022,188 10.797,189 18.532,190 3.969,191 1.45,192 57,193 2.36,194 1.699,195 0.84,196 1.191,197 0.289,198 0.358,199 0.408,200 0.242,201 1.385,202 0.735,203 2.465,204 1.13,205 0.248,206 0.31,207 0.363,208 0.23,209 2.296,210 -0.478,211 -0.734,212 0.038,213 0.469,214 -0.495,215 15.75,216 7107,217 4.673,218 1150.02,219 14599.2,220 4.62,221 127.715,222 22.308,223 3.332,224 3.332,225 27,226 26,227 9.333,228 6.306,229 41,230 62.667,232 8,233 3.665,234 203.025,235 122.211,236 4.844,237 0.289,238 0.248,239 0.408,240 0.363,241 -0.734,242 2.36,243 7314,244 13097,245 3.234,246 3.177,247 4.314,248 2.889,249 2.916,250 2.769,251 4.265,252 2.762,253 0.166,254 0.248,255 0.151,256 0.116,257 0.4,258 0.111,259 1.114,260 1.507,261 1.063,262 1.499,263 0.857,264 4.007,265 12.655,266 12.004,267 12.655,268 80.761,269 25.106,270 0.915,271 0.296,272 14.807,273 2.956,274 4.758,275 4.745,276 4.623,277 14.333,278 342.89,279 1.413,280 1.418,282 7.22,283 33.382,284 6.139,285 9,286 4.142,287 3.432,290 3.711,291 3.068,292 2.339,293 3.134,294 2.919,295 2.697,296 1.609,297 1.711,298 1.05,299 0.989,300 0.556,301 -0.387,302 -0.361,303 0.886,304 2.169,305 -0.517,306 -0.673,307 -0.984,308 -0.16,309 -0.074,310 3.871,311 21,313 3.638,314 1,315 71.344,316 37,317 1.05,318 7.185,319 -0.387,320 -0.517,321 -0.984,322 3.068,323 2.339,324 40.684,325 3.897,326 3.816,327 3.822,328 4.582,329 1.856,330 1.183,331 1.567,332 0.569,333 1.526,334 8.361,335 8.756,336 8.756,337 138.282,338 159.503,339 223.651,343 4.182,350 4.182,351 17.623,352 18.983,353 20.425,354 21.811,355 7.182,356 4.182,357 2.94,359 8.704,360 1.606,361 0.638,365 1.469,366 4.484,367 4.484,368 1.8,369 1.8,371 0.693,372 5.737,373 3.639,374 4.592,375 69.144,376 69.144,377 47,378 3.371,379 237.819,380 5.11,381 1.629,382 3.705,383 105.488,384 1.443,385 6.898,386 1.967,387 0.146,388 1.528,389 7.825,390 3.424,391 3.424,392 1.154,393 1.699,394 0.737,395 1.507,396 0.699,397 2.775,398 4.179,399 0.737,400 1.507,401 38.15,402 36.479,403 13.061,404 13.061,405 13.061,406 13.061,407 13.061,408 188.13,409 450.797,410 4.47,411 4.579,412 4.754,413 7.553,414 2.368,415 3.507,416 53.846,417 5.44,418 17.067,419 4.955,420 5.886,421 4.955,422 4.884,423 490.448,424 1.145,425 56.922,426 0.919,427 19.436,428 -0.213,429 3.907,430 5.886,431 1,432 9.229,433 8.634,434 5.137,435 45.763,436 3.068,437 63.797,438 63.797,439 14.945,440 6.632,441 13.74,442 352.41,443 18.941,444 10.295,445 2.736,446 0.703,447 0.288,448 12.564,449 0.192,450 976,451 7.91,452 2.41,453 4.923,454 3.734,455 3.623,456 5.595,457 3.518,458 11.536,459 254.084,460 46,461 46.473,462 0.902,463 1.074,464 1.093,465 1.672,466 4.427,467 4.633,468 20,469 7.596,470 9.47,471 0.86,472 7.281,473 18.941,474 0.606,475 9.911,476 0.069,478 2.566,479 3.692,480 5.867,481 0.124,482 3.913,483 1.974,484 0.649,485 3.465,486 2.271,487 1.261,489 3.299,490 18.279,491 28.033,492 3.742,493 0.487,495 -0.145,496 2.426,497 100.385,498 3.842,499 35,500 0.639,501 3.584,502 4.828,503 5.666,504 17.665,505 4.263,506 0.639,507 39.718,508 38.282,509 0.203,510 5.273,511 6.763,512 124,513 144,514 3.353,515 0.825,516 5.726,517 0.731,518 69.144,519 4,520 3.578,521 4.495,522 25.737,524 3.751,525 3.703,526 1.19,527 2.133,528 1.19,529 2.133,530 5.697,531 3.612,532 1.082,533 29.842,534 2.815,535 2.815,536 1.125,537 1.913,538 31.452,539 7,540 4.979,541 5.259,542 3.378,543 9.668,545 3.99,546 4.521,547 3.498,548 7.661,549 3.531,550 3.383,551 1.065,552 0.819,553 1,554 0.095,555 1.142,556 1.693,557 3.841,558 3.072,559 2.092,560 2.092,562 0.575,564 2.246,570 3.518,571 0.914,572 0.337,576 4,578 2.801,579 104,580 304.567,581 4.71,582 12.167,583 0.128,584 8.106,585 9.531,586 41.405,587 4,589 454.678,590 421.589,591 396,592 3.036,593 0.5,594 2.036,596 3.467,597 1.151,598 3.467,599 0.191,600 69.144,601 3.996,602 4.674,603 6.524,604 7.382,605 5.624,606 5.838,607 5.721,608 0.215,609 55.879,612 0.854,613 2.83,614 13,615 2.393,616 7.555,617 30.887,618 2,619 1.191,620 3.3,621 2.976,622 2.987,623 1.585,625 7,626 4.829,627 23.315,628 14.94,629 17.078,630 19.528,631 10.778,632 21.791,633 11.952,634 24.184,635 21.553,636 13.016,637 12.67,638 23.416,639 14.156,640 25.283,641 15.253,642 27.154,643 16.382,644 29.027,645 17.978,646 0.566,647 3.908,648 4.383,649 4.628,650 5,651 1.607,652 7,653 3.761,654 6.076,655 1.607,656 3.563,657 1.44,658 1.448,659 17.019,660 1.337,661 8,662 2.181,663 1,664 9.84,665 11.45,666 6916,667 7.194,668 7.194,669 5.518,670 0.745,671 0.503,672 0.131,673 3.487,674 3.939,675 0.951,676 1.284,677 3.854,678 1.471,679 51.199,680 1.905,681 5,682 1.414,683 1.557,684 1.028,685 0.869,686 0.29,687 2.892,688 3.538,689 53.99,690 53.99,691 0.375,692 0.375,693 1.289,694 1.289,695 37.071,696 4.127,697 4.094,698 5.235,700 4.543,701 7.534,702 2.095,703 3.154,704 4.127,705 4.143,706 3,707 0.886,708 5.69,709 7.488,712 1.139,713 0.877,714 4.626,715 4.86,716 4.393,717 0.051,718 0.203,719 -0.108,723 0.936,724 7.488,725 1.534,726 2.02,728 185.882,729 185.882,730 1.461,731 235.422,732 3.399,733 1.419,734 2.516,735 2.982,736 3.572,737 4.224,738 4.904,739 5.595,740 2.837,741 1.419,742 0.985,743 2.493,744 0.053,745 0.042,746 0.887,747 0.009,748 28.406,749 26.424,750 2.176,751 15,752 4,753 0.791,754 13.783,755 0.431,756 3.949,757 19,758 3.949,760 4.137,761 1.507,762 9,763 1.039,764 2.957,765 1.923,771 4}
{0 CHEMBL596611,1 1.315,2 2,3 1,4 1,5 1,6 8,7 10,8 3.865,9 0.997,10 0.764,11 1.315,12 -0.139,13 -0.053,15 1,16 2,17 2,18 2,19 1,20 1,21 2,22 2,23 1,24 1,25 1,26 2,27 172.581,28 172.581,29 132.006,30 0.552,31 4.872,32 1.38,33 3.865,37 10.398,38 5.145,39 2.389,40 0.026,41 2.885,42 2,43 1,46 105.646,47 0.154,49 1,51 4.885,52 2.885,53 0.466,54 0.088,55 0.595,56 3.453,57 2.273,58 21.941,59 1.733,60 1,61 172.581,62 6.066,63 2.857,64 8.771,65 2.857,66 8.771,67 4.857,68 6.066,69 2.857,70 8.771,73 0.016,74 -0.002,75 -0.016,76 7,77 15,78 -0.186,79 4.592,80 3.978,81 3.995,82 3.926,83 3.91,84 3.91,85 8.298,86 155.157,87 8.785,88 8.785,89 0.546,90 2.022,91 5.16,92 -0.851,95 30.278,96 52.123,97 3.291,98 1.592,99 15.721,100 0.955,101 -0.066,102 7.9,103 0.234,107 1,109 3,114 1.656,115 1.653,117 1.15,118 9.86,119 11.58,120 12.549,121 14.114,122 15.218,123 0.141,124 42.494,125 5.339,126 4.243,127 -0.15,128 1.104,129 4.801,130 1.979,131 179.157,132 24.058,133 26.234,134 28.349,135 14.011,136 30.516,137 15.074,138 16.057,139 32.655,140 16.085,141 122.592,142 1.269,143 0.041,144 0.583,145 11.345,146 3.222,147 3.282,148 3.069,149 2.964,150 2.978,151 1.173,152 1.104,153 1.458,154 184.666,155 6.666,156 6.457,157 5.431,158 3.379,159 2.275,161 3.209,162 2.275,163 8.527,164 4.007,165 4.527,166 4.691,167 9.789,168 44.628,169 4.938,170 3.547,171 3.566,172 5.479,173 3.464,174 3.451,175 3.367,176 0.691,177 5.915,178 7.426,179 5.033,180 6.042,181 3.145,182 15.085,183 15.085,184 15.085,185 15.085,186 15.085,187 13.233,188 9.297,189 15.371,190 3.811,191 1.711,192 47,193 2.35,194 0.879,195 -0.066,196 0.504,197 -0.467,198 -0.592,199 -0.908,200 -0.447,201 0.864,202 -0.288,203 2,204 0.377,205 -0.597,206 -0.855,207 -1.19,208 -0.567,209 1.713,210 -1.143,211 -1.993,212 -0.745,214 -1,215 12.75,216 5143,217 4.427,218 829.281,219 9575.29,220 4.398,221 103.865,222 19.983,223 3.178,224 3.178,225 23,226 22,227 7.167,228 5.194,229 29,230 52.333,232 6,233 3.53,234 152.358,235 94.107,236 4.71,237 -0.467,238 -0.597,239 -0.908,240 -1.19,241 -1.993,242 2.35,243 5222,244 9145,245 2.928,246 2.889,247 4.021,248 2.74,249 2.854,250 2.735,251 3.674,252 2.715,253 0.184,254 0.264,255 0.168,256 0.124,257 0.381,258 0.125,259 0.868,260 1.083,261 0.826,262 1.142,263 0.821,264 3.85,265 10.724,266 10.363,267 10.724,268 66.944,269 22.281,270 0.779,271 0.303,272 10.53,273 2.925,274 4.317,275 4.174,276 4.038,277 11.667,278 290.71,279 1.413,280 1.416,282 5.047,283 29.427,284 5.875,285 11,286 4.083,287 3.456,290 3.714,291 3.057,292 2.14,293 2.943,294 2.635,295 2.5,296 1.187,297 1.5,298 0.672,299 0.685,300 0.211,301 -0.801,302 -0.807,303 0.5,304 1.639,305 -1,306 -1.414,307 -2.597,308 0.028,309 -0.11,310 3.584,311 19,313 3.526,314 0.875,315 38.858,316 33,317 0.672,318 6.866,319 -0.801,320 -1,321 -2.597,322 3.057,323 2.14,324 34.616,325 3.883,326 3.815,327 3.815,328 4.443,329 1.854,330 0.912,331 1.181,332 0.218,333 1.107,334 8.062,335 7.168,336 7.168,337 112.525,338 123.973,339 176.567,343 3.827,350 3.827,351 16.692,352 17.88,353 19.299,354 20.539,355 6.827,356 3.827,357 2.858,359 7.796,360 1.58,361 0.622,365 1.485,366 4.237,367 4.237,368 1.569,369 1.569,371 0.661,372 5.521,373 3.274,374 4.592,375 47.145,376 47.145,377 39,378 3.342,379 184.666,380 4.491,381 1.614,382 3.563,383 85.038,384 1.421,385 6.595,386 1.97,387 0.155,388 1.284,389 6.755,390 3.309,391 3.288,392 0.836,393 1.277,394 0.337,395 0.569,396 0.315,397 2.477,398 4.032,399 0.337,400 0.569,401 32.506,402 31.75,403 11.253,404 11.253,405 11.253,406 11.253,407 11.253,408 160.953,409 384.485,410 4.309,411 4.456,412 4.533,413 6.384,414 2.035,415 3.528,416 37.266,417 5.44,418 14.774,419 4.054,420 5.482,421 4.376,422 4.21,423 408.064,424 1.088,425 37.241,426 0.942,427 11.629,428 -0.095,429 3.697,430 5.35,432 6.682,433 6.768,434 4.221,435 33.669,436 2.803,437 49.956,438 49.956,439 12.283,440 6.388,441 11.608,442 292.35,443 15.786,444 8.551,445 2.544,446 0.579,447 0.238,448 12.16,449 0.072,450 700,451 7.879,452 2.379,453 4.539,454 3.363,455 3.286,456 5.221,457 3.177,458 9.267,459 199.421,460 38,461 38.051,462 0.869,463 1.062,464 1.074,465 1.516,466 3.995,467 4.201,468 16,469 7.12,470 9.119,471 0.86,472 5.679,473 15.786,474 0.58,475 7.01,476 -0.458,478 2.295,479 3.414,480 5.608,481 0.132,482 3.636,483 1.966,484 0.66,485 3.435,486 2.114,487 1.113,489 3.226,490 12.743,491 22.5,492 3.317,493 0.283,495 -0.105,496 1.847,497 87.459,498 3.63,499 29,500 0.438,501 3.401,502 4.654,503 5.451,504 15.047,505 4.078,506 0.438,507 34.192,508 32.575,509 0.129,510 5.094,511 6.535,512 104,513 116,514 3.328,515 0.745,516 5.273,517 0.818,518 47.145,519 4,520 3.278,521 3.562,522 16.771,524 3.551,525 3.594,526 1,527 1.344,528 1,529 1.344,530 5.484,531 2.984,532 1.106,533 25.359,534 2.422,535 2.422,536 1.122,537 1.654,538 19.3,539 9,540 4.88,541 4.991,542 3.396,543 7.946,545 3.793,546 4.282,547 3.47,548 7.693,549 3.55,550 3.403,551 1.064,552 0.66,553 1,554 0.18,555 0.91,556 1.64,557 3.684,558 3.119,559 2.162,560 2.162,562 0.558,564 2.241,570 3.515,571 0.705,572 0.212,576 2,578 2.687,579 86,580 235.482,581 4.305,582 10.5,583 0.062,584 7.581,585 8.051,586 33.801,587 4,589 343.207,590 329.395,591 308,592 2.844,593 0.67,594 2.054,596 2.667,597 1.076,598 2.667,599 0.184,600 47.145,601 3.511,602 4.696,603 6.271,604 7.088,605 5.38,606 5.557,607 5.526,608 0.016,609 35.181,612 0.674,613 2.936,614 11,615 2.349,616 6.568,617 26.455,618 0.75,619 0.81,620 2.967,621 2.779,622 2.771,623 1.524,625 8,626 4.861,627 23.633,628 13.697,629 15.513,630 17.797,631 9.922,632 19.782,633 11.067,634 21.987,635 20.369,636 11.967,637 11.943,638 22.117,639 13.05,640 23.87,641 14.01,642 25.629,643 15.064,644 27.391,645 14.864,646 0.575,647 3.706,648 4.155,649 4.352,650 3,651 1.31,652 5,653 3.434,654 5.682,655 1.31,656 3.181,657 1.459,658 1.098,659 12.345,660 1.398,661 12,662 1.927,663 1,664 9.281,665 11.133,666 4476,667 5.267,668 5.267,669 4.288,670 0.649,671 0.394,672 0.152,673 3.296,674 3.584,675 1.05,676 1.477,677 3.827,678 1.487,679 41.95,680 1.633,681 6,682 1.389,683 1.479,684 0.913,685 0.881,686 0.294,687 2.742,688 3.108,689 35.53,690 35.53,691 0.271,692 0.271,693 1.116,694 1.116,695 26.584,696 3.807,697 3.761,698 4.987,700 4.205,701 7.202,702 1.909,703 2.658,704 3.784,705 3.738,706 1,707 0.866,708 5.278,709 6.702,712 0.958,713 1.081,714 4.715,715 4.86,716 3.823,717 -0.05,718 0.001,719 -0.139,723 0.926,724 6.702,725 1.47,726 2.038,728 172.581,729 172.581,730 1.457,731 188.338,732 3.476,733 1.419,734 2.322,735 2.896,736 3.538,737 4.211,738 4.899,739 5.593,740 2.837,741 1.419,742 0.451,743 2.221,744 0.062,745 0.046,746 0.631,747 0.009,748 19.406,749 14.26,750 1.841,751 15,752 4,753 0.959,754 13.032,755 0.362,756 3.661,757 18,758 3.661,760 3.933,761 1.505,762 11,763 0.938,764 2.753,765 1.922,771 4}
{0 CHEMBL597017,1 1.387,2 2,3 1,4 1,5 1,6 9,7 8,8 4.138,9 1.075,10 0.904,11 1.387,12 -0.217,13 -0.107,15 1,16 4,17 2,18 2,19 1,20 1,21 2,22 4,23 1,24 1,25 1,26 4,27 185.882,28 185.882,29 145.306,30 0.552,31 5.147,32 1.351,33 4.138,37 21.184,38 5.154,39 2.405,40 0.041,41 3.074,42 2,43 1,46 108.459,47 0.17,49 1,51 5.074,52 3.074,53 0.468,54 0.083,55 0.985,56 3.443,57 2.356,58 27.954,59 1.306,60 1,61 185.882,62 6.779,63 3.172,64 11.096,65 3.172,66 11.096,67 5.172,68 6.779,69 3.172,70 11.096,73 0.017,74 -0.022,75 -0.049,76 7,77 19,78 -0.119,79 4.592,80 3.991,81 4.001,82 3.953,83 3.912,84 3.917,85 9.908,86 187.025,87 10.137,88 10.137,89 0.581,90 2.224,91 5.564,92 -0.798,95 30.278,96 52.123,97 3.185,98 1.585,99 19.583,100 0.91,101 -0.142,102 10.9,103 0.238,107 1,109 3,114 1.668,115 1.664,117 1.054,118 10.415,119 12.052,120 13.238,121 14.765,122 16.062,123 0.363,124 55.301,125 5.536,126 4.462,127 -0.182,128 1.113,129 4.834,130 1.947,131 205.29,132 26.517,133 28.928,134 31.311,135 14.766,136 33.718,137 15.877,138 17.426,139 36.113,140 16.966,141 151.765,142 1.442,143 0.053,144 0.808,145 13.134,146 3.291,147 3.346,148 3.13,149 3.003,150 3.022,151 1.221,152 1.156,153 1.543,154 215.555,155 7.646,156 7.352,157 6.212,158 3.447,159 2.275,161 3.785,162 2.275,163 10.198,164 4.143,165 4.718,166 4.828,167 10.038,168 50.715,169 5.14,170 3.868,171 3.913,172 5.908,173 3.845,174 3.819,175 3.713,176 1.108,177 9.394,178 11.765,179 8.515,180 11.397,181 3.303,182 17.878,183 17.878,184 17.878,185 17.878,186 17.878,187 15.998,188 10.72,189 18.487,190 3.969,191 1.885,192 57,193 2.55,194 1.678,195 0.913,196 1.185,197 0.289,198 0.355,199 0.4,200 0.242,201 1.385,202 0.716,203 2.458,204 1.13,205 0.239,206 0.31,207 0.363,208 0.223,209 2.293,210 -0.491,211 -0.736,212 0.038,213 0.453,214 -0.483,215 15.75,216 7635,217 4.666,218 1204.79,219 15538.6,220 4.62,221 129.347,222 26.249,223 3.332,224 3.332,225 27,226 26,227 9.333,228 6.278,229 40,230 62.667,232 8,233 3.738,234 199.296,235 118.211,236 4.844,237 0.289,238 0.239,239 0.4,240 0.363,241 -0.736,242 2.55,243 7825,244 14044,245 3.231,246 3.174,247 4.358,248 2.889,249 2.927,250 2.75,251 4.172,252 2.757,253 0.168,254 0.251,255 0.153,256 0.117,257 0.411,258 0.114,259 1.117,260 1.504,261 1.064,262 1.507,263 0.842,264 4.007,265 12.638,266 11.984,267 12.638,268 80.66,269 25.503,270 0.915,271 0.296,272 14.96,273 2.949,274 4.734,275 4.681,276 4.553,277 14.333,278 342.89,279 1.413,280 1.418,282 6.922,283 34.025,284 6.127,285 8,286 4.066,287 3.471,290 3.896,291 3.28,292 2.465,293 3.257,294 2.94,295 2.5,296 1.644,297 1.5,298 1,299 1.063,300 0.583,301 -0.382,302 -0.361,303 0.84,304 2.168,305 -0.513,306 -0.666,307 -0.95,308 -0.201,309 -0.122,310 3.85,311 21,313 3.638,314 1,315 71.344,316 37,317 1,318 7.166,319 -0.382,320 -0.513,321 -0.95,322 3.28,323 2.465,324 40.651,325 3.895,326 3.816,327 3.822,328 4.575,329 1.856,330 1.187,331 1.566,332 0.569,333 1.525,334 8.342,335 8.737,336 8.737,337 138.282,338 158.171,339 223.651,343 4.222,350 4.222,351 17.536,352 18.894,353 20.344,354 21.735,355 7.222,356 4.222,357 2.977,359 8.693,360 1.581,361 0.602,365 1.496,366 4.529,367 4.529,368 1.94,369 1.94,371 0.695,372 5.735,373 3.579,374 4.592,375 69.144,376 69.144,377 47,378 3.354,379 229.819,380 5.141,381 1.6,382 3.705,383 105,384 1.407,385 6.838,386 1.966,387 0.147,388 1.457,389 7.819,390 3.424,391 3.424,392 1.02,393 1.659,394 0.685,395 1.422,396 0.658,397 2.819,398 4.179,399 0.685,400 1.422,401 38.147,402 36.473,403 13.057,404 13.057,405 13.057,406 13.057,407 13.057,408 188.13,409 450.797,410 4.47,411 4.579,412 4.755,413 7.553,414 2.361,415 3.542,416 57.152,417 5.44,418 17.093,419 4.954,420 5.855,421 4.884,422 4.804,423 490.448,424 1.181,425 55.913,426 0.919,427 18.32,428 -0.213,429 3.889,430 5.845,431 1,432 9.055,433 8.634,434 5.137,435 44.872,436 3.055,437 63.797,438 63.797,439 14.945,440 6.608,441 13.746,442 352.41,443 18.941,444 10.29,445 2.874,446 0.691,447 0.288,448 12.564,449 0.178,450 1068,451 7.91,452 2.41,453 4.912,454 3.66,455 3.542,456 5.435,457 3.426,458 11.663,459 254.084,460 46,461 46.473,462 0.886,463 1.067,464 1.107,465 1.795,466 4.36,467 4.584,468 20,469 7.561,470 9.436,471 0.86,472 7.281,473 18.941,474 0.606,475 9.722,476 0.076,478 2.478,479 3.58,480 5.89,481 0.124,482 3.898,483 1.973,484 0.674,485 3.437,486 2.374,487 1.35,489 3.299,490 17.968,491 28.033,492 3.742,493 0.406,495 -0.168,496 2.357,497 100.385,498 3.835,499 35,500 0.728,501 3.584,502 4.828,503 5.659,504 17.665,505 4.263,506 0.728,507 39.706,508 38.279,509 0.218,510 5.273,511 6.756,512 124,513 143,514 3.322,515 0.825,516 5.577,517 0.731,518 69.144,519 5,520 3.517,521 4.495,522 25.551,524 3.751,525 3.703,526 1.03,527 2.009,528 1.03,529 2.009,530 5.686,531 3.599,532 1.115,533 29.842,534 2.668,535 2.668,536 1.124,537 1.99,538 31.475,539 6,540 4.963,541 5.272,542 3.407,543 9.668,545 3.99,546 4.521,547 3.463,548 7.661,549 3.563,550 3.415,551 1.066,552 0.819,553 1,554 0.215,555 1.108,556 1.687,557 3.84,558 3.163,559 2.213,560 2.213,562 0.575,564 2.479,570 3.576,571 1,572 0.267,576 4,578 2.823,579 132,580 304.567,581 4.706,582 12.167,583 0.116,584 8.072,585 9.526,586 41.252,587 4.5,589 454.678,590 421.742,591 396,592 3.116,593 0.5,594 2.09,596 3.817,597 1.171,598 3.817,599 0.191,600 69.144,601 4.289,602 4.893,603 6.512,604 7.365,605 5.617,606 5.826,607 5.726,608 0.215,609 46.093,612 0.965,613 3.075,614 13,615 2.499,616 7.558,617 30.887,618 1.625,619 1.162,620 3.299,621 2.982,622 2.99,623 1.583,625 7,626 4.829,627 23.315,628 14.831,629 16.973,630 19.446,631 10.683,632 21.736,633 11.858,634 24.163,635 21.428,636 12.916,637 12.58,638 23.289,639 14.062,640 25.159,641 15.163,642 27.034,643 16.303,644 28.915,645 18.454,646 0.566,647 3.908,648 4.383,649 4.62,650 5,651 1.504,652 7,653 3.761,654 6.038,655 1.504,656 3.411,657 1.471,658 1.449,659 17.019,660 1.337,661 9,662 2.079,663 1,664 9.694,665 11.426,666 6908,667 6.971,668 6.971,669 5.508,670 0.668,671 0.537,672 0.133,673 3.487,674 3.916,675 1.072,676 1.497,677 3.846,678 1.471,679 51.199,680 1.869,681 4,682 1.379,683 1.554,684 1.031,685 0.869,686 0.29,687 2.892,688 3.365,689 53.99,690 53.99,691 0.435,692 0.435,693 1.41,694 1.41,695 37.071,696 4.127,697 4.078,698 5.211,700 4.543,701 7.495,702 2.096,703 3.121,704 4.06,705 4.06,706 3,707 0.857,708 5.493,709 7.388,712 1.192,713 0.87,714 4.463,715 4.686,716 4.364,717 0.051,718 0.203,719 -0.108,723 0.905,724 7.388,725 1.528,726 2.029,728 185.882,729 185.882,730 1.439,731 235.422,732 3.54,733 1.419,734 2.516,735 2.982,736 3.572,737 4.224,738 4.904,739 5.595,740 2.837,741 1.419,742 0.981,743 2.493,744 0.053,745 0.042,746 0.857,747 0.01,748 27.804,749 24.824,750 2.186,751 15,752 4,753 0.791,754 13.7,755 0.448,756 3.677,757 19,758 3.677,760 4.137,761 1.506,762 9,763 1.019,764 2.957,765 1.923,771 4}
{0 CHEMBL597219,1 1.315,2 2,3 1,4 1,5 1,6 7,7 10,8 3.98,9 1.008,10 0.779,11 1.315,12 -0.139,13 -0.068,15 1,16 2,17 2,18 2,19 1,20 1,21 2,22 2,23 1,24 1,25 1,26 2,27 172.581,28 172.581,29 132.006,30 0.55,31 4.988,32 1.38,33 3.98,37 10.476,38 5.177,39 2.388,40 0.033,41 2.973,42 2,43 1,46 105.646,47 0.154,49 1,51 4.973,52 2.973,53 0.467,54 0.087,55 0.616,56 3.377,57 2.286,58 22.177,59 1.139,60 1,61 172.581,62 6.447,63 2.985,64 9.926,65 2.985,66 9.926,67 4.985,68 6.447,69 2.985,70 9.926,73 0.016,74 -0.002,75 -0.016,76 7,77 15,78 -0.158,79 4.592,80 3.979,81 3.996,82 3.929,83 3.91,84 3.911,85 8.28,86 155.157,87 8.7,88 8.7,89 0.549,90 2.022,91 5.282,92 -0.851,95 30.278,96 52.123,97 3.264,98 1.61,99 15.721,100 0.955,101 -0.066,102 7.9,103 0.234,107 1,109 3,114 1.634,115 1.636,117 1.126,118 9.97,119 11.676,120 12.716,121 14.273,122 15.445,123 0.091,124 42.361,125 5.334,126 4.267,127 -0.141,128 1.104,129 4.794,130 1.98,131 174.402,132 25.278,133 27.584,134 29.855,135 14.323,136 32.154,137 15.413,138 16.566,139 34.438,140 16.466,141 122.592,142 1.269,143 0.041,144 0.605,145 11.35,146 3.223,147 3.284,148 3.067,149 2.964,150 2.978,151 1.174,152 1.105,153 1.463,154 181.911,155 6.672,156 6.465,157 5.439,158 3.37,159 2.275,161 3.218,162 2.275,163 8.342,164 4.007,165 4.543,166 4.691,167 9.808,168 44.63,169 4.938,170 3.581,171 3.619,172 5.482,173 3.522,174 3.513,175 3.427,176 0.756,177 6.455,178 8.036,179 5.269,180 6.596,181 3.145,182 15.137,183 15.137,184 15.137,185 15.137,186 15.137,187 13.258,188 9.354,189 15.416,190 3.811,191 1.529,192 47,193 2.232,194 0.989,195 -0.012,196 0.524,197 -0.434,198 -0.548,199 -0.842,200 -0.41,201 0.865,202 -0.168,203 2,204 0.459,205 -0.535,206 -0.773,207 -1.026,208 -0.518,209 2,210 -1.236,211 -1.979,212 -0.744,214 -1,215 12.75,216 4935,217 4.428,218 809.984,219 9229.42,220 4.398,221 103.024,222 19.041,223 3.178,224 3.178,225 23,226 22,227 7.167,228 5.222,229 30,230 52.333,232 6,233 3.486,234 154.499,235 94.107,236 4.71,237 -0.434,238 -0.535,239 -0.842,240 -1.026,241 -1.979,242 2.232,243 5023,244 8778,245 2.927,246 2.891,247 4.029,248 2.742,249 2.854,250 2.735,251 3.674,252 2.715,253 0.189,254 0.28,255 0.173,256 0.13,257 0.432,258 0.129,259 0.868,260 1.083,261 0.826,262 1.147,263 0.821,264 3.85,265 10.741,266 10.383,267 10.741,268 67.045,269 22.092,270 0.779,271 0.304,272 10.423,273 2.925,274 4.347,275 4.265,276 4.06,277 11.667,278 290.71,279 1.413,280 1.416,282 5.195,283 28.441,284 5.856,285 11,286 4.083,287 3.422,290 3.616,291 2.938,292 2.181,293 2.919,294 2.682,295 2.5,296 1.19,297 1.5,298 0.685,299 0.63,300 0.146,301 -0.857,302 -0.858,303 0.5,304 1.543,305 -1,306 -1.415,307 -2.449,308 0.012,309 -0.114,310 3.611,311 19,313 3.526,314 1,315 38.858,316 33,317 0.685,318 6.891,319 -0.857,320 -1,321 -2.449,322 2.938,323 2.181,324 34.55,325 3.883,326 3.816,327 3.815,328 4.441,329 1.854,330 0.912,331 1.181,332 0.218,333 1.107,334 8.087,335 7.201,336 7.201,337 112.525,338 125.306,339 176.567,343 3.955,350 3.955,351 16.918,352 18.167,353 19.593,354 20.888,355 6.955,356 3.955,357 2.857,359 7.822,360 1.601,361 0.633,365 1.468,366 4.347,367 4.347,368 1.607,369 1.607,371 0.659,372 5.518,373 3.323,374 4.592,375 47.145,376 47.145,377 39,378 3.367,379 184.666,380 4.46,381 1.624,382 3.563,383 85.49,384 1.44,385 6.614,386 1.97,387 0.154,388 1.26,389 6.761,390 3.309,391 3.288,392 0.837,393 1.306,394 0.39,395 0.642,396 0.355,397 2.458,398 4.032,399 0.39,400 0.642,401 32.502,402 31.742,403 11.247,404 11.247,405 11.247,406 11.247,407 11.247,408 160.953,409 384.485,410 4.31,411 4.456,412 4.531,413 6.384,414 2.042,415 3.501,416 33.577,417 5.44,418 14.748,419 4.056,420 5.573,421 4.472,422 4.241,423 408.064,424 1.082,425 38.382,426 0.942,427 12.355,428 -0.136,429 3.717,430 5.487,432 6.671,433 6.768,434 4.221,435 39.124,436 2.804,437 49.956,438 49.956,439 12.283,440 6.379,441 11.594,442 292.35,443 15.786,444 8.556,445 2.567,446 0.586,447 0.238,448 12.282,449 0.108,450 692,451 7.879,452 2.379,453 4.557,454 3.396,455 3.316,456 5.169,457 3.209,458 9.208,459 199.421,460 38,461 38.051,462 0.869,463 1.062,464 1.075,465 1.528,466 4.04,467 4.241,468 16,469 7.173,470 9.163,471 0.86,472 5.679,473 15.786,474 0.58,475 7.163,476 -0.546,478 2.27,479 3.414,480 5.595,481 0.13,482 3.654,483 1.966,484 0.648,485 3.461,486 2.152,487 1.15,489 3.226,490 12.902,491 22.5,492 3.317,493 0.365,495 -0.078,496 1.892,497 87.459,498 3.638,499 29,500 0.427,501 3.401,502 4.654,503 5.46,504 15.047,505 4.078,506 0.427,507 34.148,508 32.568,509 0.129,510 5.094,511 6.544,512 104,513 117,514 3.35,515 0.745,516 5.32,517 0.818,518 47.145,519 1,520 3.312,521 3.562,522 16.911,524 3.551,525 3.594,526 1,527 1.373,528 1,529 1.373,530 5.497,531 3.006,532 1.078,533 25.359,534 2.449,535 2.449,536 1.123,537 1.693,538 19.278,539 10,540 4.88,541 5.12,542 3.377,543 7.946,545 3.793,546 4.282,547 3.493,548 7.693,549 3.527,550 3.379,551 1.064,552 0.66,553 1,554 0.131,555 0.943,556 1.643,557 3.685,558 3.019,559 2.039,560 2.039,562 0.558,564 2.142,570 3.495,571 0.735,572 0.181,576 2,578 2.687,579 86,580 235.482,581 4.305,582 10.5,583 0.062,584 7.596,585 8.057,586 34.009,587 3.5,589 343.207,590 329.201,591 308,592 2.667,593 0.67,594 1.982,596 2.774,597 1.05,598 2.774,599 0.184,600 47.145,601 3.604,602 4.419,603 6.286,604 7.112,605 5.389,606 5.572,607 5.526,608 0.016,609 31.474,612 0.618,613 2.863,614 11,615 2.35,616 6.569,617 26.455,618 1,619 0.831,620 2.967,621 2.779,622 2.771,623 1.528,625 8,626 4.861,627 23.633,628 14.134,629 16.151,630 18.535,631 10.142,632 20.71,633 11.306,634 23.036,635 20.782,636 12.279,637 12.186,638 22.599,639 13.392,640 24.424,641 14.419,642 26.255,643 15.511,644 28.092,645 16.563,646 0.575,647 3.706,648 4.155,649 4.364,650 3,651 1.287,652 5,653 3.434,654 5.735,655 1.287,656 3.228,657 1.438,658 1.098,659 12.345,660 1.398,661 12,662 1.912,663 1,664 9.389,665 11.165,666 4476,667 5.451,668 5.451,669 4.351,670 0.695,671 0.376,672 0.154,673 3.296,674 3.616,675 1.171,676 1.686,677 3.828,678 1.485,679 41.95,680 1.649,681 8,682 1.411,683 1.484,684 0.862,685 0.882,686 0.294,687 2.742,688 3.107,689 35.53,690 35.53,691 0.259,692 0.259,693 1.151,694 1.151,695 26.584,696 3.784,697 3.738,698 5.012,700 4.205,701 7.256,702 1.928,703 2.669,704 3.784,705 3.784,706 1,707 0.866,708 5.146,709 6.322,712 0.994,713 1.008,714 4.59,715 4.787,716 4.061,717 -0.05,718 0.001,719 -0.139,723 0.926,724 6.322,725 1.479,726 2.037,728 172.581,729 172.581,730 1.474,731 188.338,732 3.38,733 1.419,734 2.322,735 2.896,736 3.538,737 4.211,738 4.899,739 5.593,740 2.837,741 1.419,742 0.506,743 2.132,744 0.062,745 0.045,746 0.647,747 0.007,748 19.869,749 15.978,750 1.609,751 15,752 4,753 0.959,754 13.296,755 0.345,756 3.666,757 18,758 3.666,760 3.933,761 1.502,762 11,763 0.987,764 2.759,765 1.923,771 4}
{0 CHEMBL597220,1 1.357,2 2,3 1,4 1,5 1,6 8,7 9,8 3.986,9 1.05,10 0.841,11 1.357,12 -0.184,13 -0.083,15 1,16 3,17 2,18 2,19 1,20 1,21 2,22 3,23 1,24 1,25 1,26 3,27 179.231,28 179.231,29 138.656,30 0.55,31 4.995,32 1.364,33 3.986,37 15.872,38 5.195,39 2.386,40 0.041,41 2.977,42 2,43 1,46 107.052,47 0.163,49 1,51 4.977,52 2.977,53 0.468,54 0.085,55 0.798,56 3.427,57 2.308,58 25.198,59 1.091,60 1,61 179.231,62 6.448,63 2.992,64 9.929,65 2.992,66 9.929,67 4.992,68 6.448,69 2.992,70 9.929,73 0.017,74 -0.012,75 -0.033,76 9,77 17,78 -0.166,79 4.592,80 3.986,81 3.999,82 3.94,83 3.911,84 3.915,85 9.1,86 175.316,87 9.421,88 9.421,89 0.579,90 2.088,91 5.441,92 -0.823,95 30.278,96 52.123,97 3.168,98 1.61,99 17.649,100 0.93,101 -0.106,102 9.5,103 0.237,107 1,109 3,114 1.634,115 1.636,117 1.11,118 10.218,119 11.88,120 13.002,121 14.532,122 15.768,123 0.15,124 48.43,125 5.442,126 4.314,127 -0.18,128 1.109,129 4.795,130 1.97,131 198.968,132 25.59,133 27.884,134 30.139,135 14.55,136 32.424,137 15.637,138 16.917,139 34.692,140 16.694,141 138.787,142 1.374,143 0.048,144 0.778,145 12.242,146 3.29,147 3.343,148 3.137,149 2.999,150 3.02,151 1.217,152 1.152,153 1.542,154 206.968,155 7.159,156 6.909,157 5.824,158 3.37,159 2.449,161 3.501,162 2.449,163 9.262,164 4.078,165 4.635,166 4.762,167 9.93,168 47.66,169 5.045,170 3.742,171 3.797,172 5.668,173 3.709,174 3.693,175 3.611,176 0.95,177 8.03,178 9.873,179 6.836,180 8.732,181 3.228,182 16.508,183 16.508,184 16.508,185 16.508,186 16.508,187 14.628,188 10.068,189 16.958,190 3.893,191 1.458,192 52,193 2.261,194 1.592,195 0.735,196 1.191,197 0.248,198 0.358,199 0.407,200 0.231,201 0.989,202 0.069,203 2.183,204 0.554,205 -0.39,206 -0.48,207 -0.73,208 -0.363,209 2.126,210 -0.751,211 -0.999,212 -0.464,213 0.146,214 -0.779,215 14.25,216 5945,217 4.556,218 970.249,219 11704,220 4.513,221 115.204,222 20.333,223 3.258,224 3.258,225 25,226 24,227 8.25,228 5.75,229 35,230 57.5,232 7,233 3.58,234 177.964,235 110.039,236 4.779,237 0.248,238 -0.39,239 0.407,240 -0.73,241 -0.999,242 2.261,243 6090,244 10789,245 3.177,246 2.927,247 4.265,248 2.771,249 2.891,250 2.742,251 4.004,252 2.742,253 0.174,254 0.258,255 0.159,256 0.12,257 0.397,258 0.119,259 1.07,260 1.431,261 0.868,262 1.147,263 0.826,264 3.932,265 11.689,266 11.179,267 11.689,268 73.853,269 23.601,270 0.846,271 0.299,272 12.659,273 2.934,274 4.555,275 4.519,276 4.316,277 13,278 316.8,279 1.413,280 1.417,282 6.618,283 29.757,284 5.992,285 10,286 4.174,287 3.422,290 3.622,291 2.954,292 2.182,293 2.968,294 2.919,295 2.662,296 1.315,297 1.678,298 0.74,299 0.884,300 0.469,301 -0.518,302 -0.499,303 0.63,304 2,305 -0.83,306 -1.079,307 -1.979,308 -0.057,309 -0.046,310 3.738,311 20,313 3.584,314 1,315 55.101,316 35,317 0.74,318 7.038,319 -0.518,320 -0.83,321 -1.979,322 2.954,323 2.182,324 37.659,325 3.891,326 3.816,327 3.819,328 4.582,329 1.855,330 1.148,331 1.514,332 0.542,333 1.46,334 8.222,335 7.97,336 7.97,337 125.404,338 141.296,339 200.109,343 3.979,350 3.979,351 17.228,352 18.525,353 19.947,354 21.278,355 6.979,356 3.979,357 2.939,359 8.149,360 1.602,361 0.634,365 1.468,366 4.357,367 4.357,368 1.644,369 1.644,371 0.678,372 5.616,373 3.527,374 4.592,375 58.145,376 58.145,377 43,378 3.367,379 214.968,380 4.794,381 1.624,382 3.636,383 95.218,384 1.44,385 6.763,386 1.969,387 0.15,388 1.501,389 7.29,390 3.368,391 3.358,392 0.941,393 1.32,394 0.464,395 0.674,396 0.394,397 2.766,398 4.108,399 0.464,400 0.674,401 35.319,402 34.102,403 12.163,404 12.163,405 12.163,406 12.163,407 12.163,408 174.541,409 417.641,410 4.391,411 4.519,412 4.648,413 6.983,414 2.201,415 3.501,416 38.7,417 5.44,418 15.87,419 4.504,420 5.734,421 4.722,422 4.514,423 449.256,424 1.102,425 46.645,426 0.93,427 17.426,428 -0.18,429 3.809,430 5.734,431 1,432 8.44,433 7.701,434 4.684,435 43.4,436 2.989,437 56.98,438 56.98,439 13.614,440 6.496,441 12.684,442 322.38,443 17.364,444 9.422,445 2.586,446 0.644,447 0.265,448 12.441,449 0.154,450 816,451 7.896,452 2.396,453 4.755,454 3.576,455 3.495,456 5.47,457 3.404,458 10.971,459 226.477,460 42,461 42.262,462 0.869,463 1.063,464 1.075,465 1.538,466 4.318,467 4.528,468 18,469 7.386,470 9.31,471 0.86,472 6.477,473 17.364,474 0.594,475 8.654,476 -0.128,478 2.536,479 3.603,480 5.749,481 0.126,482 3.796,483 1.97,484 0.648,485 3.461,486 2.268,487 1.258,489 3.304,490 15.466,491 25.267,492 3.536,493 0.447,495 -0.106,496 2.127,497 93.922,498 3.745,499 32,500 0.639,501 3.497,502 4.745,503 5.565,504 16.356,505 4.174,506 0.639,507 36.921,508 35.42,509 0.161,510 5.187,511 6.655,512 114,513 130,514 3.35,515 0.792,516 5.526,517 0.771,518 58.145,519 2,520 3.485,521 4.045,522 20.813,524 3.656,525 3.65,526 1.141,527 1.555,528 1.141,529 1.555,530 5.598,531 3.318,532 1.109,533 27.6,534 2.757,535 2.757,536 1.124,537 1.91,538 25.49,539 8,540 4.93,541 5.131,542 3.377,543 8.807,545 3.896,546 4.408,547 3.493,548 7.676,549 3.527,550 3.38,551 1.065,552 0.745,553 1,554 0.111,555 1.021,556 1.67,557 3.766,558 3.068,559 2.092,560 2.092,562 0.567,564 2.143,570 3.51,571 0.839,572 0.274,576 3,578 2.759,579 90,580 270.024,581 4.528,582 11.333,583 0.091,584 7.866,585 8.792,586 37.62,587 4,589 398.942,590 375.413,591 352,592 2.996,593 0.33,594 2.018,596 3.431,597 1.092,598 3.431,599 0.188,600 58.145,601 3.966,602 4.646,603 6.405,604 7.246,605 5.509,606 5.707,607 5.629,608 0.131,609 52.504,612 0.792,613 2.824,614 12,615 2.393,616 7.052,617 28.671,618 1.438,619 1.012,620 3.251,621 2.926,622 2.928,623 1.581,625 8,626 4.845,627 23.474,628 14.45,629 16.484,630 18.87,631 10.428,632 21.041,633 11.587,634 23.36,635 21.095,636 12.593,637 12.407,638 22.92,639 13.707,640 24.75,641 14.755,642 26.584,643 15.85,644 28.421,645 16.575,646 0.577,647 3.812,648 4.276,649 4.501,650 4,651 1.575,652 6,653 3.611,654 5.907,655 1.575,656 3.43,657 1.438,658 1.098,659 14.687,660 1.365,661 10,662 2.106,663 1,664 9.661,665 11.304,666 5672,667 6.176,668 6.176,669 4.921,670 0.724,671 0.502,672 0.142,673 3.396,674 3.768,675 1.198,676 1.461,677 3.842,678 1.477,679 46.574,680 1.714,681 7,682 1.411,683 1.552,684 0.857,685 0.875,686 0.292,687 2.779,688 3.377,689 44.76,690 44.76,691 0.375,692 0.375,693 1.286,694 1.286,695 31.827,696 3.97,697 3.912,698 5.125,700 4.388,701 7.393,702 1.93,703 2.779,704 3.951,705 3.97,706 2,707 0.894,708 5.228,709 6.528,712 1.076,713 0.857,714 4.737,715 4.928,716 4.335,717 0.007,718 0.114,719 -0.125,723 0.949,724 6.528,725 1.505,726 2.026,728 179.231,729 179.231,730 1.472,731 211.88,732 3.392,733 1.419,734 2.424,735 2.94,736 3.555,737 4.218,738 4.901,739 5.594,740 2.837,741 1.419,742 0.513,743 2.463,744 0.057,745 0.043,746 0.71,747 0.007,748 24.015,749 21.226,750 1.923,751 15,752 4,753 0.865,754 13.513,755 0.397,756 3.911,757 18.5,758 3.911,760 4.036,761 1.506,762 9,763 1.062,764 2.804,765 1.923,771 4}
{0 CHEMBL597624,1 1.315,2 2,3 1,4 1,5 1,6 8,7 11,8 3.844,9 0.996,10 0.764,11 1.315,12 -0.139,13 -0.053,15 1,16 2,17 2,18 2,19 1,20 1,21 2,22 2,23 1,24 1,25 1,26 2,27 172.581,28 172.581,29 132.006,30 0.552,31 4.851,32 1.38,33 3.844,37 10.41,38 5.155,39 2.412,40 0.03,41 2.87,42 2,43 1,46 105.646,47 0.154,49 1,51 4.87,52 2.87,53 0.466,54 0.087,55 0.594,56 3.382,57 2.249,58 21.907,59 1.012,60 1,61 172.581,62 6.031,63 2.831,64 8.597,65 2.831,66 8.597,67 4.831,68 6.031,69 2.831,70 8.597,73 0.016,74 -0.002,75 -0.016,76 7,77 15,78 -0.186,79 4.592,80 3.978,81 3.995,82 3.925,83 3.91,84 3.91,85 8.298,86 155.157,87 8.785,88 8.785,89 0.559,90 2.022,91 5.089,92 -0.851,95 30.278,96 52.123,97 3.275,98 1.585,99 15.721,100 0.955,101 -0.066,102 7.9,103 0.234,107 1,109 3,114 1.656,115 1.655,117 1.15,118 9.86,119 11.58,120 12.547,121 14.111,122 15.213,123 0.181,124 42.508,125 5.339,126 4.306,127 -0.15,128 1.104,129 4.826,130 1.979,131 179.157,132 23.974,133 26.128,134 28.22,135 13.994,136 30.361,137 15.053,138 16.027,139 32.474,140 16.058,141 122.592,142 1.269,143 0.041,144 0.584,145 11.345,146 3.217,147 3.285,148 3.046,149 2.973,150 2.982,151 1.182,152 1.11,153 1.458,154 184.666,155 6.666,156 6.457,157 5.431,158 3.38,159 2.275,161 3.207,162 2.275,163 8.527,164 4.007,165 4.527,166 4.691,167 9.789,168 44.615,169 4.938,170 3.547,171 3.566,172 5.404,173 3.458,174 3.449,175 3.359,176 0.691,177 5.943,178 7.672,179 5.085,180 6.457,181 3.145,182 15.085,183 15.085,184 15.085,185 15.085,186 15.085,187 13.233,188 9.294,189 15.371,190 3.811,191 1.669,192 47,193 2.377,194 0.904,195 -0.072,196 0.464,197 -0.513,198 -0.641,199 -1.043,200 -0.491,201 0.812,202 -0.287,203 2,204 0.394,205 -0.593,206 -0.839,207 -1.166,208 -0.567,209 1.711,210 -0.987,211 -1.683,212 -0.749,214 -1,215 12.75,216 5159,217 4.427,218 830.009,219 9605.01,220 4.398,221 103.947,222 19.653,223 3.178,224 3.178,225 23,226 22,227 7.167,228 5.194,229 29,230 52.333,232 6,233 3.534,234 152.164,235 94.107,236 4.71,237 -0.513,238 -0.593,239 -1.043,240 -1.166,241 -1.683,242 2.377,243 5238,244 9189,245 2.931,246 2.889,247 4.056,248 2.74,249 2.854,250 2.735,251 3.674,252 2.715,253 0.183,254 0.262,255 0.167,256 0.123,257 0.374,258 0.125,259 0.855,260 1.079,261 0.826,262 1.125,263 0.821,264 3.85,265 10.724,266 10.363,267 10.724,268 66.944,269 22.289,270 0.779,271 0.303,272 10.555,273 2.925,274 4.315,275 4.17,276 4.028,277 11.667,278 290.71,279 1.413,280 1.416,282 4.971,283 29.423,284 5.898,285 11,286 4.083,287 3.45,290 3.738,291 3.11,292 2.094,293 2.949,294 2.688,295 2.5,296 1.067,297 1.5,298 0.583,299 0.727,300 0.281,301 -0.705,302 -0.698,303 0.5,304 1.635,305 -1,306 -1.5,307 -2.565,308 0.102,309 0.053,310 3.584,311 19,313 3.526,314 0.875,315 38.858,316 33,317 0.583,318 6.866,319 -0.705,320 -1,321 -2.565,322 3.11,323 2.094,324 34.596,325 3.883,326 3.815,327 3.815,328 4.37,329 1.854,330 0.894,331 1.181,332 0.218,333 1.107,334 8.062,335 7.161,336 7.161,337 112.525,338 123.973,339 176.567,343 3.801,350 3.801,351 16.685,352 17.869,353 19.286,354 20.522,355 6.801,356 3.801,357 2.82,359 7.796,360 1.58,361 0.607,365 1.488,366 4.216,367 4.216,368 1.503,369 1.503,371 0.661,372 5.52,373 3.286,374 4.592,375 47.145,376 47.145,377 39,378 3.354,379 184.666,380 4.491,381 1.601,382 3.563,383 84.989,384 1.415,385 6.638,386 1.97,387 0.155,388 1.351,389 6.755,390 3.309,391 3.288,392 0.842,393 1.307,394 0.366,395 0.621,396 0.344,397 2.477,398 4.032,399 0.366,400 0.621,401 32.493,402 31.739,403 11.253,404 11.253,405 11.253,406 11.253,407 11.253,408 160.953,409 384.485,410 4.309,411 4.456,412 4.533,413 6.384,414 2.035,415 3.526,416 32.941,417 5.44,418 14.774,419 4.054,420 5.494,421 4.376,422 4.21,423 408.064,424 1.072,425 37.007,426 0.942,427 11.837,428 -0.072,429 3.695,430 5.368,431 1,432 6.123,433 6.768,434 4.221,435 34.047,436 2.822,437 49.956,438 49.956,439 12.283,440 6.383,441 11.608,442 292.35,443 15.786,444 8.551,445 2.489,446 0.579,447 0.238,448 12.089,449 0.092,450 664,451 7.879,452 2.379,453 4.539,454 3.361,455 3.284,456 5.151,457 3.184,458 9.14,459 199.421,460 38,461 38.051,462 0.868,463 1.062,464 1.07,465 1.472,466 4.012,467 4.201,468 16,469 7.12,470 9.119,471 0.86,472 5.679,473 15.786,474 0.58,475 7.004,476 -0.412,478 2.369,479 3.414,480 5.625,481 0.133,482 3.636,483 1.966,484 0.667,485 3.439,486 2.171,487 1.168,489 3.226,490 12.734,491 22.5,492 3.317,493 0.326,495 -0.105,496 1.856,497 87.459,498 3.63,499 29,500 0.437,501 3.401,502 4.654,503 5.451,504 15.047,505 4.078,506 0.437,507 34.179,508 32.565,509 0.129,510 5.094,511 6.535,512 104,513 116,514 3.327,515 0.745,516 5.286,517 0.818,518 47.145,519 5,520 3.281,521 3.562,522 16.753,524 3.551,525 3.594,526 1,527 1.171,528 1,529 1.171,530 5.484,531 2.982,532 1.106,533 25.359,534 2.43,535 2.43,536 1.123,537 1.738,538 19.3,539 10,540 4.864,541 4.957,542 3.398,543 7.946,545 3.793,546 4.282,547 3.468,548 7.693,549 3.551,550 3.403,551 1.064,552 0.66,553 1,554 0.22,555 0.827,556 1.64,557 3.684,558 3.056,559 2.105,560 2.105,562 0.558,564 2.265,570 3.522,571 0.7,572 0.181,576 2,578 2.687,579 86,580 235.482,581 4.3,582 10.5,583 0.062,584 7.581,585 8.049,586 33.805,587 4,589 343.207,590 329.395,591 308,592 2.879,593 0.67,594 1.988,596 2.797,597 1.076,598 2.797,599 0.184,600 47.145,601 3.537,602 4.696,603 6.271,604 7.086,605 5.38,606 5.557,607 5.517,608 0.016,609 33.275,612 0.618,613 2.914,614 11,615 2.113,616 6.568,617 26.455,618 0.875,619 0.81,620 2.96,621 2.762,622 2.763,623 1.538,625 9,626 4.861,627 23.633,628 13.686,629 15.495,630 17.766,631 9.919,632 19.736,633 11.063,634 21.924,635 20.365,636 11.958,637 11.935,638 22.111,639 13.037,640 23.862,641 13.992,642 25.617,643 15.041,644 27.376,645 14.554,646 0.575,647 3.706,648 4.155,649 4.352,650 3,651 1.386,652 5,653 3.434,654 5.682,655 1.386,656 3.235,657 1.461,658 1.087,659 12.345,660 1.398,661 12,662 1.971,663 1,664 9.29,665 11.133,666 4484,667 5.319,668 5.319,669 4.174,670 0.644,671 0.394,672 0.152,673 3.296,674 3.584,675 0.741,676 1.163,677 3.828,678 1.486,679 41.95,680 1.542,681 5,682 1.386,683 1.487,684 0.912,685 0.881,686 0.294,687 2.742,688 3.05,689 35.53,690 35.53,691 0.271,692 0.271,693 1.176,694 1.176,695 26.584,696 3.829,697 3.689,698 4.987,700 4.205,701 7.202,702 1.909,703 2.673,704 3.761,705 3.761,706 1,707 0.866,708 5.283,709 6.715,712 0.88,713 1.081,714 4.715,715 4.86,716 3.88,717 -0.05,718 0.001,719 -0.139,723 0.926,724 6.715,725 1.47,726 2.038,728 172.581,729 172.581,730 1.459,731 188.338,732 3.48,733 1.419,734 2.322,735 2.896,736 3.538,737 4.211,738 4.899,739 5.593,740 2.837,741 1.419,742 0.477,743 2.221,744 0.062,745 0.046,746 0.545,747 0.01,748 19.31,749 14.23,750 1.983,751 15,752 4,753 0.959,754 13.02,755 0.362,756 3.69,757 18,758 3.69,760 3.933,761 1.504,762 11,763 0.939,764 2.76,765 1.923,771 4}
{0 CHEMBL597625,1 1.357,2 2,3 1,4 1,5 1,6 7,7 10,8 4.007,9 1.04,10 0.827,11 1.357,12 -0.184,13 -0.069,15 1,16 3,17 2,18 2,19 1,20 1,21 2,22 3,23 1,24 1,25 1,26 3,27 179.231,28 179.231,29 138.656,30 0.551,31 5.015,32 1.363,33 4.007,37 15.74,38 5.171,39 2.411,40 0.042,41 2.991,42 2,43 1,46 107.052,47 0.163,49 1,51 4.991,52 2.991,53 0.467,54 0.085,55 0.775,56 3.405,57 2.264,58 24.964,59 0.851,60 1,61 179.231,62 6.461,63 3.016,64 9.983,65 3.016,66 9.983,67 5.016,68 6.461,69 3.016,70 9.983,73 0.017,74 -0.012,75 -0.033,76 9,77 17,78 -0.114,79 4.592,80 3.985,81 3.998,82 3.939,83 3.911,84 3.914,85 9.12,86 177.316,87 9.515,88 9.515,89 0.579,90 2.088,91 5.389,92 -0.823,95 30.278,96 52.123,97 3.208,98 1.587,99 17.649,100 0.93,101 -0.106,102 9.5,103 0.237,107 1,109 3,114 1.656,115 1.655,117 1.056,118 10.14,119 11.81,120 12.897,121 14.433,122 15.643,123 0.232,124 48.592,125 5.448,126 4.338,127 -0.17,128 1.109,129 4.832,130 1.963,131 202.968,132 25.374,133 27.681,134 29.951,135 14.434,136 32.252,137 15.525,138 16.754,139 34.537,140 16.583,141 138.787,142 1.374,143 0.048,144 0.757,145 12.237,146 3.288,147 3.343,148 3.126,149 3.004,150 3.022,151 1.219,152 1.155,153 1.536,154 208.968,155 7.153,156 6.9,157 5.817,158 3.38,159 2.43,161 3.495,162 2.43,163 9.545,164 4.078,165 4.62,166 4.762,167 9.913,168 47.629,169 5.044,170 3.719,171 3.755,172 5.654,173 3.667,174 3.642,175 3.559,176 0.889,177 7.47,178 8.983,179 6.67,180 8.694,181 3.227,182 16.455,183 16.455,184 16.455,185 16.455,186 16.455,187 14.603,188 10.027,189 16.913,190 3.893,191 1.625,192 52,193 2.382,194 1.592,195 0.7,196 1.189,197 0.271,198 0.393,199 0.437,200 0.246,201 0.904,202 0.055,203 2.227,204 0.483,205 -0.467,206 -0.563,207 -0.918,208 -0.436,209 2.171,210 -0.819,211 -1.155,212 -0.405,213 0.281,214 -0.694,215 14.25,216 6185,217 4.554,218 994.461,219 12119.6,220 4.513,221 116.067,222 21.667,223 3.258,224 3.258,225 25,226 24,227 8.25,228 5.722,229 34,230 57.5,232 7,233 3.623,234 175.811,235 110.039,236 4.779,237 0.271,238 -0.467,239 0.437,240 -0.918,241 -1.155,242 2.382,243 6321,244 11220,245 3.175,246 2.931,247 4.192,248 2.763,249 2.889,250 2.742,251 4.051,252 2.74,253 0.175,254 0.258,255 0.16,256 0.121,257 0.399,258 0.12,259 1.073,260 1.429,261 0.855,262 1.127,263 0.826,264 3.932,265 11.673,266 11.158,267 11.673,268 73.752,269 23.798,270 0.846,271 0.299,272 12.747,273 2.934,274 4.533,275 4.457,276 4.286,277 13,278 316.8,279 1.412,280 1.416,282 6.464,283 30.366,284 6.014,285 9,286 4.222,287 3.451,290 3.746,291 3.111,292 2.403,293 3.213,294 2.789,295 2.673,296 1.29,297 1.722,298 0.616,299 0.836,300 0.427,301 -0.57,302 -0.551,303 0.727,304 1.722,305 -0.703,306 -0.979,307 -1.683,308 -0.177,309 -0.189,310 3.714,311 20,313 3.584,314 0.875,315 55.101,316 35,317 0.616,318 7.017,319 -0.57,320 -0.703,321 -1.683,322 3.111,323 2.403,324 37.676,325 3.89,326 3.816,327 3.818,328 4.575,329 1.855,330 1.153,331 1.524,332 0.551,333 1.464,334 8.203,335 7.87,336 7.87,337 125.404,338 139.963,339 200.109,343 4.023,350 4.023,351 17.108,352 18.389,353 19.814,354 21.136,355 7.023,356 4.023,357 2.957,359 8.132,360 1.583,361 0.607,365 1.488,366 4.382,367 4.382,368 1.89,369 1.89,371 0.68,372 5.608,373 3.458,374 4.592,375 58.145,376 58.145,377 43,378 3.354,379 214.968,380 4.829,381 1.603,382 3.636,383 94.687,384 1.415,385 6.755,386 1.968,387 0.151,388 1.383,389 7.284,390 3.368,391 3.358,392 0.939,393 1.32,394 0.464,395 0.673,396 0.394,397 2.774,398 4.108,399 0.464,400 0.673,401 35.294,402 34.083,403 12.175,404 12.175,405 12.175,406 12.175,407 12.175,408 174.541,409 417.641,410 4.391,411 4.519,412 4.65,413 6.983,414 2.194,415 3.527,416 39.16,417 5.44,418 15.897,419 4.503,420 5.716,421 4.647,422 4.49,423 449.256,424 1.103,425 45.741,426 0.93,427 16.662,428 -0.163,429 3.787,430 5.655,431 1,432 8.204,433 7.701,434 4.684,435 42.284,436 2.982,437 56.98,438 56.98,439 13.614,440 6.507,441 12.704,442 322.38,443 17.364,444 9.417,445 2.839,446 0.638,447 0.265,448 12.389,449 0.138,450 832,451 7.896,452 2.396,453 4.74,454 3.545,455 3.455,456 5.346,457 3.364,458 10.758,459 226.477,460 42,461 42.262,462 0.868,463 1.063,464 1.071,465 1.772,466 4.28,467 4.498,468 18,469 7.343,470 9.274,471 0.86,472 6.477,473 17.364,474 0.594,475 8.448,476 -0.285,478 2.408,479 3.537,480 5.755,481 0.127,482 3.781,483 1.97,484 0.667,485 3.439,486 2.272,487 1.262,489 3.304,490 15.301,491 25.267,492 3.536,493 0.407,495 -0.131,496 2.097,497 93.922,498 3.737,499 32,500 0.604,501 3.497,502 4.745,503 5.557,504 16.356,505 4.174,506 0.604,507 36.94,508 35.404,509 0.158,510 5.187,511 6.648,512 114,513 129,514 3.327,515 0.792,516 5.46,517 0.771,518 58.145,519 6,520 3.456,521 4.045,522 20.698,524 3.656,525 3.65,526 1.171,527 1.285,528 1.171,529 1.285,530 5.586,531 3.282,532 1.115,533 27.6,534 2.787,535 2.787,536 1.124,537 1.852,538 25.517,539 9,540 4.91,541 5.129,542 3.398,543 8.807,545 3.896,546 4.408,547 3.468,548 7.676,549 3.551,550 3.404,551 1.065,552 0.745,553 1,554 0.204,555 0.879,556 1.667,557 3.765,558 3.068,559 2.123,560 2.123,562 0.567,564 2.295,570 3.526,571 0.842,572 0.212,576 3,578 2.76,579 102,580 270.024,581 4.542,582 11.333,583 0.091,584 7.849,585 8.788,586 37.426,587 4.5,589 398.942,590 375.632,591 352,592 3.06,593 0.33,594 1.996,596 3.259,597 1.115,598 3.259,599 0.188,600 58.145,601 3.971,602 4.899,603 6.395,604 7.228,605 5.501,606 5.694,607 5.627,608 0.131,609 42.84,612 0.736,613 2.903,614 12,615 2.498,616 7.053,617 28.671,618 1.438,619 0.988,620 3.252,621 2.93,622 2.931,623 1.579,625 8,626 4.845,627 23.474,628 14.269,629 16.262,630 18.65,631 10.304,632 20.811,633 11.461,634 23.139,635 20.895,636 12.446,637 12.295,638 22.706,639 13.558,640 24.524,641 14.595,642 26.35,643 15.691,644 28.182,645 16.681,646 0.577,647 3.812,648 4.276,649 4.493,650 4,651 1.445,652 6,653 3.611,654 5.862,655 1.445,656 3.394,657 1.461,658 1.087,659 14.687,660 1.365,661 11,662 2.024,663 1,664 9.555,665 11.277,666 5672,667 6.106,668 6.106,669 4.87,670 0.679,671 0.458,672 0.142,673 3.396,674 3.741,675 1.306,676 1.672,677 3.838,678 1.478,679 46.574,680 1.579,681 4,682 1.386,683 1.548,684 0.895,685 0.874,686 0.291,687 2.762,688 3.265,689 44.76,690 44.76,691 0.344,692 0.344,693 1.284,694 1.284,695 31.827,696 3.989,697 3.871,698 5.112,700 4.388,701 7.35,702 1.909,703 2.792,704 3.932,705 3.932,706 2,707 0.894,708 5.364,709 6.888,712 1.189,713 0.91,714 4.833,715 4.975,716 4.335,717 0.007,718 0.114,719 -0.125,723 0.949,724 6.888,725 1.497,726 2.032,728 179.231,729 179.231,730 1.456,731 211.88,732 3.478,733 1.419,734 2.424,735 2.94,736 3.555,737 4.218,738 4.901,739 5.594,740 2.837,741 1.419,742 0.512,743 2.478,744 0.057,745 0.044,746 0.583,747 0.01,748 23.6,749 19.69,750 2.11,751 15,752 4,753 0.865,754 13.402,755 0.413,756 3.706,757 18.5,758 3.706,760 4.036,761 1.507,762 9,763 1.019,764 2.82,765 1.923,771 4}
{0 CHEMBL597626,1 1.387,2 2,3 1,4 1,5 1,6 9,7 9,8 4.138,9 1.083,10 0.903,11 1.387,12 -0.217,13 -0.106,15 1,16 4,17 2,18 2,19 1,20 1,21 2,22 4,23 1,24 1,25 1,26 4,27 185.882,28 185.882,29 145.306,30 0.551,31 5.147,32 1.35,33 4.138,37 21.254,38 5.184,39 2.41,40 0.047,41 3.074,42 2,43 1,46 108.459,47 0.17,49 1,51 5.074,52 3.074,53 0.468,54 0.084,55 1.045,56 3.406,57 2.277,58 28.155,59 1.088,60 1,61 185.882,62 6.779,63 3.172,64 11.096,65 3.172,66 11.096,67 5.172,68 6.779,69 3.172,70 11.096,73 0.017,74 -0.022,75 -0.049,76 7,77 19,78 -0.071,79 4.592,80 3.992,81 4.001,82 3.954,83 3.912,84 3.918,85 9.914,86 192.535,87 10.149,88 10.149,89 0.582,90 2.224,91 5.602,92 -0.798,95 30.278,96 52.123,97 3.158,98 1.592,99 19.583,100 0.91,101 -0.142,102 10.9,103 0.238,107 1,109 3,114 1.661,115 1.658,117 1.007,118 10.421,119 12.059,120 13.25,121 14.776,122 16.076,123 0.444,124 55.104,125 5.537,126 4.462,127 -0.153,128 1.113,129 4.834,130 1.947,131 214.8,132 26.523,133 28.933,134 31.314,135 14.779,136 33.721,137 15.89,138 17.439,139 36.115,140 16.979,141 151.765,142 1.442,143 0.053,144 0.831,145 13.134,146 3.292,147 3.346,148 3.13,149 3.004,150 3.022,151 1.221,152 1.156,153 1.545,154 223.555,155 7.646,156 7.351,157 6.213,158 3.519,159 2.431,161 3.788,162 2.431,163 10.209,164 4.143,165 4.718,166 4.828,167 10.038,168 50.695,169 5.14,170 3.875,171 3.927,172 5.924,173 3.866,174 3.859,175 3.752,176 1.135,177 9.62,178 11.998,179 9.062,180 12.351,181 3.303,182 17.878,183 17.878,184 17.878,185 17.878,186 17.878,187 15.998,188 10.757,189 18.487,190 3.969,191 1.645,192 57,193 2.552,194 1.678,195 0.842,196 1.189,197 0.289,198 0.393,199 0.437,200 0.246,201 1.385,202 0.7,203 2.478,204 1.13,205 0.27,206 0.311,207 0.363,208 0.241,209 2.323,210 -0.557,211 -0.897,212 0.037,213 0.429,214 -0.514,215 15.75,216 7363,217 4.67,218 1177.88,219 15056,220 4.62,221 128.521,222 24.178,223 3.332,224 3.332,225 27,226 26,227 9.333,228 6.278,229 40,230 62.667,232 8,233 3.705,234 200.97,235 120.211,236 4.844,237 0.289,238 0.27,239 0.437,240 0.363,241 -0.897,242 2.552,243 7561,244 13548,245 3.231,246 3.174,247 4.337,248 2.889,249 2.92,250 2.749,251 4.178,252 2.755,253 0.168,254 0.251,255 0.153,256 0.117,257 0.411,258 0.114,259 1.118,260 1.505,261 1.064,262 1.515,263 0.841,264 4.007,265 12.638,266 11.984,267 12.638,268 80.66,269 25.3,270 0.915,271 0.296,272 14.867,273 2.947,274 4.741,275 4.699,276 4.611,277 14.333,278 342.89,279 1.412,280 1.417,282 7.092,283 33.997,284 6.15,285 8,286 4.186,287 3.462,290 3.896,291 3.277,292 2.454,293 3.242,294 2.939,295 2.695,296 1.644,297 1.745,298 1.024,299 0.904,300 0.486,301 -0.462,302 -0.43,303 0.84,304 2.174,305 -0.566,306 -0.676,307 -1.054,308 -0.239,309 -0.152,310 3.85,311 21,313 3.638,314 0.875,315 71.344,316 37,317 1.024,318 7.166,319 -0.462,320 -0.566,321 -1.054,322 3.277,323 2.454,324 40.702,325 3.895,326 3.816,327 3.822,328 4.575,329 1.856,330 1.188,331 1.567,332 0.57,333 1.525,334 8.344,335 8.662,336 8.662,337 138.282,338 158.171,339 223.651,343 4.222,350 4.222,351 17.551,352 18.909,353 20.359,354 21.75,355 7.222,356 4.222,357 2.994,359 8.693,360 1.588,361 0.61,365 1.489,366 4.529,367 4.529,368 1.933,369 1.933,371 0.695,372 5.731,373 3.613,374 4.592,375 69.144,376 69.144,377 47,378 3.36,379 237.819,380 5.145,381 1.606,382 3.705,383 104.961,384 1.417,385 6.866,386 1.966,387 0.147,388 1.462,389 7.819,390 3.424,391 3.424,392 1.04,393 1.578,394 0.616,395 1.278,396 0.583,397 2.798,398 4.179,399 0.616,400 1.278,401 38.126,402 36.461,403 13.073,404 13.073,405 13.073,406 13.073,407 13.073,408 188.13,409 450.797,410 4.47,411 4.579,412 4.755,413 7.553,414 2.361,415 3.533,416 58.279,417 5.44,418 17.093,419 4.954,420 5.862,421 4.897,422 4.868,423 490.448,424 1.124,425 56.291,426 0.919,427 18.619,428 -0.224,429 3.887,430 5.859,431 1,432 9.11,433 8.634,434 5.137,435 44.263,436 3.054,437 63.797,438 63.797,439 14.945,440 6.606,441 13.76,442 352.41,443 18.941,444 10.29,445 2.867,446 0.697,447 0.288,448 12.602,449 0.177,450 1044,451 7.91,452 2.41,453 4.91,454 3.709,455 3.592,456 5.447,457 3.468,458 11.405,459 254.084,460 46,461 46.473,462 0.88,463 1.068,464 1.084,465 1.79,466 4.387,467 4.606,468 20,469 7.561,470 9.439,471 0.86,472 7.281,473 18.941,474 0.606,475 9.691,476 0.056,478 2.485,479 3.59,480 5.879,481 0.124,482 3.899,483 1.973,484 0.668,485 3.445,486 2.378,487 1.357,489 3.299,490 18.114,491 28.033,492 3.742,493 0.407,495 -0.168,496 2.39,497 100.385,498 3.835,499 35,500 0.604,501 3.584,502 4.828,503 5.659,504 17.665,505 4.263,506 0.604,507 39.737,508 38.266,509 0.17,510 5.273,511 6.756,512 124,513 143,514 3.331,515 0.825,516 5.685,517 0.731,518 69.144,519 6,520 3.549,521 4.495,522 25.637,524 3.751,525 3.703,526 1.182,527 1.997,528 1.182,529 1.997,530 5.686,531 3.577,532 1.087,533 29.842,534 2.808,535 2.808,536 1.124,537 1.982,538 31.48,539 7,540 4.963,541 5.276,542 3.4,543 9.668,545 3.99,546 4.521,547 3.473,548 7.661,549 3.555,550 3.407,551 1.066,552 0.819,553 1,554 0.189,555 1.092,556 1.69,557 3.84,558 3.071,559 2.124,560 2.124,562 0.575,564 2.483,570 3.53,571 0.913,572 0.274,576 4,578 2.815,579 120,580 304.567,581 4.728,582 12.167,583 0.128,584 8.09,585 9.529,586 41.208,587 4.5,589 454.678,590 421.807,591 396,592 3.018,593 0.5,594 2.001,596 3.81,597 1.171,598 3.81,599 0.191,600 69.144,601 4.287,602 4.893,603 6.515,604 7.367,605 5.617,606 5.826,607 5.726,608 0.215,609 45.621,612 0.91,613 2.917,614 13,615 2.498,616 7.558,617 30.887,618 1.875,619 1.164,620 3.3,621 2.982,622 2.99,623 1.584,625 7,626 4.829,627 23.315,628 14.844,629 16.984,630 19.457,631 10.694,632 21.745,633 11.87,634 24.17,635 21.435,636 12.929,637 12.593,638 23.297,639 14.075,640 25.166,641 15.177,642 27.042,643 16.316,644 28.923,645 18.454,646 0.566,647 3.908,648 4.383,649 4.621,650 5,651 1.512,652 7,653 3.761,654 6.038,655 1.512,656 3.495,657 1.463,658 1.454,659 17.019,660 1.337,661 9,662 2.093,663 1,664 9.731,665 11.427,666 6908,667 7.089,668 7.089,669 5.511,670 0.706,671 0.458,672 0.133,673 3.487,674 3.916,675 1.055,676 1.5,677 3.846,678 1.472,679 51.199,680 1.864,681 3,682 1.389,683 1.556,684 1.067,685 0.869,686 0.29,687 2.892,688 3.402,689 53.99,690 53.99,691 0.345,692 0.345,693 1.407,694 1.407,695 37.071,696 4.143,697 4.06,698 5.223,700 4.543,701 7.497,702 2.095,703 3.11,704 4.078,705 4.078,706 3,707 0.886,708 5.597,709 7.733,712 1.217,713 0.924,714 4.67,715 4.86,716 4.316,717 0.051,718 0.203,719 -0.108,723 0.936,724 7.733,725 1.526,726 2.029,728 185.882,729 185.882,730 1.445,731 235.422,732 3.476,733 1.419,734 2.516,735 2.982,736 3.572,737 4.224,738 4.904,739 5.595,740 2.837,741 1.419,742 0.874,743 2.492,744 0.053,745 0.042,746 0.853,747 0.01,748 28.08,749 24.944,750 2.112,751 15,752 4,753 0.791,754 13.713,755 0.448,756 3.712,757 19,758 3.712,760 4.137,761 1.507,762 9,763 1.001,764 2.956,765 1.923,771 4.721}
{0 CHEMBL597892,1 1.315,2 2,3 1,4 1,5 1,6 9,7 11,8 3.87,9 1.006,10 0.78,11 1.315,12 -0.139,13 -0.069,15 1,16 2,17 2,18 2,19 1,20 1,21 2,22 2,23 1,24 1,25 1,26 2,27 172.581,28 172.581,29 132.006,30 0.551,31 4.877,32 1.38,33 3.87,37 10.509,38 5.191,39 2.42,40 0.029,41 2.88,42 2,43 1,46 105.646,47 0.154,49 1,51 4.88,52 2.88,53 0.467,54 0.086,55 0.616,56 3.132,57 2.27,58 22.121,59 1.448,60 1,61 172.581,62 6.145,63 2.876,64 9.051,65 2.876,66 9.051,67 4.876,68 6.145,69 2.876,70 9.051,73 0.016,74 -0.002,75 -0.016,76 7,77 15,78 -0.246,79 4.592,80 3.979,81 3.996,82 3.928,83 3.91,84 3.911,85 8.278,86 155.157,87 8.691,88 8.691,89 0.563,90 2.022,91 5.142,92 -0.851,95 30.278,96 52.123,97 3.234,98 1.605,99 15.721,100 0.955,101 -0.066,102 7.9,103 0.234,107 1,109 3,114 1.634,115 1.637,117 1.212,118 9.962,119 11.666,120 12.693,121 14.245,122 15.399,123 0.091,124 42.361,125 5.333,126 4.273,127 -0.163,128 1.104,129 4.825,130 1.98,131 174.402,132 24.675,133 26.881,134 29.042,135 14.174,136 31.237,137 15.237,138 16.353,139 33.411,140 16.254,141 122.592,142 1.269,143 0.041,144 0.606,145 11.35,146 3.218,147 3.287,148 3.043,149 2.974,150 2.982,151 1.183,152 1.111,153 1.464,154 181.911,155 6.672,156 6.466,157 5.438,158 3.37,159 2.275,161 3.212,162 2.275,163 8.215,164 4.007,165 4.543,166 4.691,167 9.808,168 44.636,169 4.938,170 3.575,171 3.617,172 5.425,173 3.508,174 3.51,175 3.418,176 0.756,177 6.535,178 8.696,179 5.246,180 6.477,181 3.145,182 15.137,183 15.137,184 15.137,185 15.137,186 15.137,187 13.258,188 9.335,189 15.416,190 3.811,191 1.529,192 47,193 2.372,194 1.039,195 -0.012,196 0.565,197 -0.408,198 -0.541,199 -0.797,200 -0.39,201 0.812,202 -0.172,203 2,204 0.399,205 -0.58,206 -0.791,207 -1.105,208 -0.555,209 2,210 -1.131,211 -1.799,212 -0.757,214 -1,215 12.75,216 4951,217 4.428,218 810.361,219 9260.64,220 4.398,221 103.109,222 18.711,223 3.178,224 3.178,225 23,226 22,227 7.167,228 5.222,229 30,230 52.333,232 6,233 3.492,234 154.15,235 94.107,236 4.71,237 -0.408,238 -0.58,239 -0.797,240 -1.105,241 -1.799,242 2.372,243 5039,244 8822,245 2.93,246 2.891,247 4.135,248 2.741,249 2.854,250 2.735,251 3.674,252 2.715,253 0.185,254 0.267,255 0.168,256 0.125,257 0.394,258 0.125,259 0.855,260 1.079,261 0.826,262 1.135,263 0.821,264 3.85,265 10.741,266 10.383,267 10.741,268 67.045,269 22.099,270 0.779,271 0.304,272 10.459,273 2.925,274 4.342,275 4.254,276 4.067,277 11.667,278 290.71,279 1.414,280 1.416,282 5.074,283 28.814,284 5.879,285 11,286 4.083,287 3.424,290 3.731,291 3.1,292 2.179,293 2.919,294 2.816,295 2.5,296 1.067,297 1.5,298 0.616,299 0.651,300 0.193,301 -0.801,302 -0.793,303 0.5,304 1.54,305 -1,306 -1.5,307 -2.449,308 0.261,309 0.285,310 3.611,311 19,313 3.526,314 1,315 38.858,316 33,317 0.616,318 6.891,319 -0.801,320 -1,321 -2.449,322 3.1,323 2.179,324 34.553,325 3.884,326 3.815,327 3.815,328 4.353,329 1.854,330 0.894,331 1.181,332 0.218,333 1.107,334 8.084,335 7.261,336 7.261,337 112.525,338 125.306,339 176.567,343 3.866,350 3.866,351 16.865,352 18.093,353 19.509,354 20.782,355 6.866,356 3.866,357 2.82,359 7.822,360 1.601,361 0.627,365 1.469,366 4.255,367 4.255,368 1.559,369 1.559,371 0.659,372 5.529,373 3.381,374 4.592,375 47.145,376 47.145,377 39,378 3.373,379 184.666,380 4.457,381 1.617,382 3.563,383 85.484,384 1.438,385 6.644,386 1.97,387 0.154,388 1.365,389 6.761,390 3.309,391 3.288,392 0.859,393 1.337,394 0.434,395 0.692,396 0.389,397 2.455,398 4.032,399 0.434,400 0.692,401 32.511,402 31.751,403 11.241,404 11.241,405 11.241,406 11.241,407 11.241,408 160.953,409 384.485,410 4.31,411 4.456,412 4.531,413 6.384,414 2.042,415 3.501,416 31.68,417 5.44,418 14.748,419 4.056,420 5.517,421 4.472,422 4.241,423 408.064,424 1.065,425 37.853,426 0.942,427 12.686,428 -0.089,429 3.717,430 5.499,431 2,432 5.85,433 6.768,434 4.221,435 35.176,436 2.817,437 49.956,438 49.956,439 12.283,440 6.351,441 11.588,442 292.35,443 15.786,444 8.556,445 2.541,446 0.586,447 0.238,448 12.142,449 0.108,450 656,451 7.879,452 2.379,453 4.557,454 3.399,455 3.332,456 5.294,457 3.238,458 9.327,459 199.421,460 38,461 38.051,462 0.869,463 1.062,464 1.069,465 1.517,466 4.07,467 4.241,468 16,469 7.173,470 9.161,471 0.86,472 5.679,473 15.786,474 0.58,475 7.185,476 -0.522,478 2.369,479 3.414,480 5.636,481 0.131,482 3.654,483 1.966,484 0.65,485 3.463,486 2.251,487 1.241,489 3.226,490 12.885,491 22.5,492 3.317,493 0.407,495 -0.078,496 1.886,497 87.459,498 3.638,499 29,500 0.41,501 3.401,502 4.654,503 5.46,504 15.047,505 4.078,506 0.41,507 34.131,508 32.576,509 0.129,510 5.094,511 6.544,512 104,513 117,514 3.349,515 0.745,516 5.309,517 0.818,518 47.145,519 2,520 3.318,521 3.562,522 16.863,524 3.551,525 3.594,526 1,527 1.262,528 1,529 1.262,530 5.497,531 3.019,532 1.099,533 25.359,534 2.449,535 2.449,536 1.123,537 1.861,538 19.273,539 9,540 4.865,541 5.009,542 3.377,543 7.946,545 3.793,546 4.282,547 3.492,548 7.693,549 3.527,550 3.38,551 1.064,552 0.66,553 1,554 0.192,555 0.9,556 1.643,557 3.685,558 2.713,559 1.769,560 1.769,562 0.558,564 2.262,570 3.493,571 0.708,572 0.181,576 2,578 2.687,579 82,580 235.482,581 4.286,582 10.5,583 0.062,584 7.597,585 8.053,586 34.011,587 3.5,589 343.207,590 329.176,591 308,592 2.77,593 0.67,594 1.667,596 3.074,597 1.05,598 3.074,599 0.184,600 47.145,601 3.644,602 4.419,603 6.282,604 7.107,605 5.389,606 5.572,607 5.52,608 0.016,609 44.506,612 0.674,613 2.863,614 11,615 1.988,616 6.569,617 26.455,618 0.875,619 0.831,620 2.96,621 2.762,622 2.763,623 1.545,625 10,626 4.861,627 23.633,628 13.991,629 15.924,630 18.234,631 10.097,632 20.306,633 11.246,634 22.542,635 20.684,636 12.189,637 12.094,638 22.471,639 13.28,640 24.261,641 14.272,642 26.055,643 15.336,644 27.851,645 15.204,646 0.575,647 3.706,648 4.155,649 4.362,650 3,651 1.36,652 5,653 3.434,654 5.735,655 1.36,656 3.277,657 1.438,658 1.088,659 12.345,660 1.398,661 11,662 1.936,663 1,664 9.399,665 11.164,666 4484,667 5.389,668 5.389,669 4.219,670 0.69,671 0.368,672 0.152,673 3.296,674 3.616,675 0.471,676 0.87,677 3.828,678 1.484,679 41.95,680 1.593,681 7,682 1.409,683 1.493,684 0.862,685 0.882,686 0.294,687 2.742,688 3.112,689 35.53,690 35.53,691 0.246,692 0.246,693 1.27,694 1.27,695 26.584,696 3.829,697 3.689,698 5.002,700 4.205,701 7.252,702 1.93,703 2.682,704 3.738,705 3.784,706 1,707 0.866,708 5.283,709 6.713,712 0.737,713 1.008,714 4.59,715 4.787,716 4.096,717 -0.05,718 0.001,719 -0.139,723 0.926,724 6.713,725 1.479,726 2.037,728 172.581,729 172.581,730 1.476,731 188.338,732 3.389,733 1.419,734 2.322,735 2.896,736 3.538,737 4.211,738 4.899,739 5.593,740 2.837,741 1.419,742 0.526,743 2.132,744 0.062,745 0.046,746 0.592,747 0.007,748 19.684,749 15.816,750 1.751,751 15,752 4,753 0.959,754 13.182,755 0.345,756 3.759,757 18,758 3.759,760 3.933,761 1.502,762 11,763 0.993,764 2.771,765 1.923,771 4}
{0 CHEMBL597896,1 1.387,2 2,3 1,4 1,5 1,6 10,7 9,8 4.139,9 1.093,10 0.917,11 1.387,12 -0.217,13 -0.12,15 1,16 4,17 2,18 2,19 1,20 1,21 2,22 4,23 1,24 1,25 1,26 4,27 185.882,28 185.882,29 145.306,30 0.55,31 5.149,32 1.351,33 4.139,37 21.369,38 5.224,39 2.417,40 0.046,41 3.075,42 2,43 1,46 108.459,47 0.17,49 1,51 5.075,52 3.075,53 0.469,54 0.083,55 1.068,56 3.307,57 2.295,58 28.408,59 1.351,60 1,61 185.882,62 6.779,63 3.173,64 11.096,65 3.173,66 11.096,67 5.173,68 6.779,69 3.173,70 11.096,73 0.017,74 -0.022,75 -0.049,76 7,77 19,78 -0.115,79 4.592,80 3.993,81 4.001,82 3.955,83 3.912,84 3.918,85 9.895,86 190.535,87 10.055,88 10.055,89 0.582,90 2.224,91 5.655,92 -0.798,95 30.278,96 52.123,97 3.117,98 1.611,99 19.583,100 0.91,101 -0.142,102 10.9,103 0.238,107 1,109 3,114 1.64,115 1.639,117 1.054,118 10.481,119 12.114,120 13.325,121 14.847,122 16.159,123 0.368,124 54.93,125 5.532,126 4.462,127 -0.161,128 1.113,129 4.833,130 1.948,131 212.8,132 26.599,133 28.999,134 31.371,135 14.866,136 33.768,137 15.974,138 17.529,139 36.155,140 17.062,141 151.765,142 1.442,143 0.053,144 0.852,145 13.138,146 3.292,147 3.347,148 3.13,149 3.004,150 3.022,151 1.221,152 1.157,153 1.548,154 223.555,155 7.652,156 7.36,157 6.22,158 3.556,159 2.449,161 3.795,162 2.449,163 9.951,164 4.143,165 4.732,166 4.828,167 10.053,168 50.718,169 5.141,170 3.895,171 3.963,172 5.936,173 3.9,174 3.899,175 3.793,176 1.194,177 10.167,178 12.952,179 9.231,180 12.406,181 3.304,182 17.93,183 17.93,184 17.93,185 17.93,186 17.93,187 16.022,188 10.799,189 18.532,190 3.969,191 1.45,192 57,193 2.555,194 1.678,195 0.859,196 1.185,197 0.289,198 0.356,199 0.398,200 0.242,201 1.385,202 0.709,203 2.462,204 1.13,205 0.24,206 0.31,207 0.363,208 0.224,209 2.296,210 -0.498,211 -0.763,212 0.038,213 0.452,214 -0.487,215 15.75,216 7091,217 4.672,218 1149.48,219 14566.7,220 4.62,221 127.642,222 22.864,223 3.332,224 3.332,225 27,226 26,227 9.333,228 6.306,229 41,230 62.667,232 8,233 3.664,234 203.263,235 122.211,236 4.844,237 0.289,238 0.24,239 0.398,240 0.363,241 -0.763,242 2.555,243 7298,244 13053,245 3.232,246 3.174,247 4.278,248 2.889,249 2.919,250 2.749,251 4.209,252 2.755,253 0.168,254 0.251,255 0.153,256 0.118,257 0.411,258 0.114,259 1.119,260 1.507,261 1.064,262 1.52,263 0.841,264 4.007,265 12.655,266 12.004,267 12.655,268 80.761,269 25.102,270 0.915,271 0.296,272 14.765,273 2.948,274 4.759,275 4.75,276 4.632,277 14.333,278 342.89,279 1.413,280 1.418,282 7.193,283 33.387,284 6.136,285 9,286 4.142,287 3.439,290 3.896,291 3.271,292 2.266,293 3.073,294 2.919,295 2.834,296 1.644,297 1.876,298 1.024,299 1.039,300 0.569,301 -0.394,302 -0.371,303 0.84,304 2.169,305 -0.516,306 -0.668,307 -0.957,308 -0.128,309 0.008,310 3.871,311 21,313 3.638,314 1,315 71.344,316 37,317 1.024,318 7.185,319 -0.394,320 -0.516,321 -0.957,322 3.271,323 2.266,324 40.659,325 3.895,326 3.816,327 3.822,328 4.575,329 1.856,330 1.189,331 1.568,332 0.57,333 1.527,334 8.361,335 8.762,336 8.762,337 138.282,338 159.503,339 223.651,343 4.223,350 4.223,351 17.63,352 18.994,353 20.441,354 21.834,355 7.223,356 4.223,357 3.099,359 8.704,360 1.606,361 0.629,365 1.47,366 4.529,367 4.529,368 1.749,369 1.749,371 0.693,372 5.738,373 3.682,374 4.592,375 69.144,376 69.144,377 47,378 3.376,379 237.819,380 5.11,381 1.621,382 3.705,383 105.457,384 1.44,385 6.87,386 1.966,387 0.146,388 1.51,389 7.825,390 3.424,391 3.424,392 1.04,393 1.618,394 0.645,395 1.34,396 0.62,397 2.806,398 4.179,399 0.645,400 1.34,401 38.144,402 36.474,403 13.061,404 13.061,405 13.061,406 13.061,407 13.061,408 188.13,409 450.797,410 4.47,411 4.579,412 4.754,413 7.553,414 2.368,415 3.509,416 57.01,417 5.44,418 17.067,419 4.955,420 5.878,421 4.955,422 4.884,423 490.448,424 1.133,425 57.382,426 0.919,427 19.494,428 -0.241,429 3.906,430 5.942,431 2,432 9.004,433 8.634,434 5.137,435 45.39,436 3.052,437 63.797,438 63.797,439 14.945,440 6.592,441 13.74,442 352.41,443 18.941,444 10.295,445 2.685,446 0.704,447 0.288,448 12.655,449 0.192,450 1020,451 7.91,452 2.41,453 4.923,454 3.736,455 3.627,456 5.574,457 3.515,458 11.638,459 254.084,460 46,461 46.473,462 0.88,463 1.068,464 1.085,465 1.63,466 4.429,467 4.633,468 20,469 7.596,470 9.47,471 0.86,472 7.281,473 18.941,474 0.606,475 9.917,476 0.076,478 2.532,479 3.657,480 5.888,481 0.123,482 3.913,483 1.973,484 0.65,485 3.467,486 2.391,487 1.382,489 3.299,490 18.301,491 28.033,492 3.742,493 0.448,495 -0.145,496 2.42,497 100.385,498 3.842,499 35,500 0.714,501 3.584,502 4.828,503 5.666,504 17.665,505 4.263,506 0.714,507 39.689,508 38.278,509 0.178,510 5.273,511 6.763,512 124,513 144,514 3.353,515 0.825,516 5.694,517 0.731,518 69.144,519 5,520 3.578,521 4.495,522 25.757,524 3.751,525 3.703,526 1.273,527 1.996,528 1.273,529 1.996,530 5.697,531 3.614,532 1.082,533 29.842,534 3.092,535 3.092,536 1.125,537 1.954,538 31.452,539 6,540 4.963,541 5.288,542 3.379,543 9.668,545 3.99,546 4.521,547 3.497,548 7.661,549 3.531,550 3.383,551 1.066,552 0.819,553 1,554 0.155,555 1.095,556 1.693,557 3.841,558 2.903,559 1.968,560 1.968,562 0.575,564 2.49,570 3.494,571 0.913,572 0.306,576 4,578 2.812,579 108,580 304.567,581 4.714,582 12.167,583 0.128,584 8.106,585 9.534,586 41.408,587 4,589 454.678,590 421.589,591 396,592 2.885,593 0.5,594 1.825,596 3.741,597 1.151,598 3.741,599 0.191,600 69.144,601 4.254,602 4.674,603 6.524,604 7.383,605 5.624,606 5.838,607 5.728,608 0.215,609 57.632,612 0.965,613 2.83,614 13,615 2.496,616 7.555,617 30.887,618 1.875,619 1.191,620 3.301,621 2.982,622 2.99,623 1.586,625 8,626 4.829,627 23.315,628 14.951,629 17.098,630 19.561,631 10.78,632 21.843,633 11.956,634 24.257,635 21.556,636 13.023,637 12.678,638 23.421,639 14.168,640 25.291,641 15.271,642 27.166,643 16.408,644 29.044,645 18.455,646 0.566,647 3.908,648 4.383,649 4.628,650 5,651 1.556,652 7,653 3.761,654 6.076,655 1.556,656 3.528,657 1.44,658 1.458,659 17.019,660 1.337,661 8,662 2.178,663 1,664 9.841,665 11.45,666 6908,667 7.159,668 7.159,669 5.556,670 0.75,671 0.53,672 0.133,673 3.487,674 3.939,675 0.901,676 1.295,677 3.848,678 1.47,679 51.199,680 1.865,681 4,682 1.413,683 1.557,684 1.028,685 0.869,686 0.29,687 2.892,688 3.494,689 53.99,690 53.99,691 0.422,692 0.422,693 1.398,694 1.398,695 37.071,696 4.143,697 4.078,698 5.235,700 4.543,701 7.534,702 2.096,703 3.108,704 4.094,705 4.111,706 3,707 0.886,708 5.992,709 8.344,712 1.112,713 0.877,714 4.626,715 4.86,716 4.316,717 0.051,718 0.203,719 -0.108,723 0.936,724 8.344,725 1.534,726 2.027,728 185.882,729 185.882,730 1.461,731 235.422,732 3.396,733 1.419,734 2.516,735 2.982,736 3.572,737 4.224,738 4.904,739 5.595,740 2.837,741 1.419,742 0.931,743 2.492,744 0.053,745 0.042,746 0.854,747 0.01,748 28.495,749 26.522,750 2.075,751 15,752 4,753 0.791,754 13.797,755 0.431,756 3.845,757 19,758 3.845,760 4.137,761 1.506,762 9,763 1.039,764 2.954,765 1.923,771 4}
{0 CHEMBL602103,1 1.357,2 2,3 1,4 1,5 1,6 7,7 9,8 4.006,9 1.032,10 0.828,11 1.357,12 -0.184,13 -0.07,15 1,16 3,17 2,18 2,19 1,20 1,21 2,22 3,23 1,24 1,25 1,26 3,27 179.231,28 179.231,29 138.656,30 0.553,31 5.014,32 1.364,33 4.006,37 15.675,38 5.143,39 2.406,40 0.035,41 2.991,42 2,43 1,46 107.052,47 0.163,49 1,51 4.991,52 2.991,53 0.467,54 0.085,55 0.714,56 3.442,57 2.34,58 24.778,59 1.139,60 1,61 179.231,62 6.461,63 3.016,64 9.983,65 3.016,66 9.983,67 5.016,68 6.461,69 3.016,70 9.983,73 0.017,74 -0.012,75 -0.033,76 9,77 17,78 -0.17,79 4.592,80 3.984,81 3.998,82 3.939,83 3.911,84 3.914,85 9.114,86 171.806,87 9.503,88 9.503,89 0.578,90 2.088,91 5.351,92 -0.823,95 30.278,96 52.123,97 3.235,98 1.581,99 17.649,100 0.93,101 -0.106,102 9.5,103 0.237,107 1,109 3,114 1.663,115 1.662,117 1.11,118 10.131,119 11.801,120 12.88,121 14.417,122 15.621,123 0.149,124 48.775,125 5.447,126 4.358,127 -0.202,128 1.109,129 4.832,130 1.963,131 190.703,132 25.355,133 27.664,134 29.937,135 14.415,136 32.24,137 15.506,138 16.728,139 34.527,140 16.564,141 138.787,142 1.374,143 0.048,144 0.734,145 12.237,146 3.287,147 3.342,148 3.126,149 3.003,150 3.021,151 1.219,152 1.154,153 1.532,154 198.213,155 7.153,156 6.901,157 5.816,158 3.414,159 2.275,161 3.492,162 2.275,163 9.527,164 4.078,165 4.62,166 4.762,167 9.912,168 47.648,169 5.044,170 3.711,171 3.739,172 5.634,173 3.642,174 3.592,175 3.511,176 0.864,177 7.264,178 8.771,179 6.103,180 7.708,181 3.227,182 16.455,183 16.455,184 16.455,185 16.455,186 16.455,187 14.603,188 9.989,189 16.913,190 3.893,191 1.847,192 52,193 2.387,194 1.592,195 0.716,196 1.185,197 0.239,198 0.355,199 0.399,200 0.224,201 1.063,202 0.075,203 2.182,204 0.583,205 -0.383,206 -0.493,207 -0.734,208 -0.362,209 2.123,210 -0.718,211 -0.997,212 -0.464,213 0.126,214 -0.781,215 14.25,216 6425,217 4.551,218 1017.8,219 12529.1,220 4.513,221 116.877,222 23.833,223 3.258,224 3.258,225 25,226 24,227 8.25,228 5.722,229 34,230 57.5,232 7,233 3.657,234 174.253,235 106.039,236 4.779,237 0.239,238 -0.383,239 0.399,240 -0.734,241 -0.997,242 2.387,243 6553,244 11652,245 3.174,246 2.938,247 4.188,248 2.768,249 2.854,250 2.735,251 3.958,252 2.715,253 0.175,254 0.258,255 0.16,256 0.121,257 0.399,258 0.12,259 1.072,260 1.425,261 0.856,262 1.181,263 0.821,264 3.932,265 11.673,266 11.158,267 11.673,268 73.752,269 23.998,270 0.846,271 0.299,272 12.837,273 2.925,274 4.524,275 4.433,276 4.205,277 13,278 316.8,279 1.413,280 1.417,282 6.297,283 30.393,284 5.988,285 9,286 4.091,287 3.461,290 3.752,291 3.12,292 2.418,293 3.233,294 2.771,295 2.5,296 1.072,297 1.5,298 0.685,299 0.836,300 0.448,301 -0.52,302 -0.496,303 0.578,304 2,305 -0.834,306 -1.082,307 -2.075,308 -0.126,309 -0.152,310 3.714,311 20,313 3.584,314 1,315 55.101,316 35,317 0.685,318 7.017,319 -0.52,320 -0.834,321 -2.075,322 3.12,323 2.418,324 37.625,325 3.89,326 3.816,327 3.818,328 4.575,329 1.855,330 1.152,331 1.518,332 0.547,333 1.46,334 8.201,335 7.945,336 7.945,337 125.404,338 139.963,339 200.109,343 4.023,350 4.023,351 17.086,352 18.362,353 19.788,354 21.107,355 7.023,356 4.023,357 2.958,359 8.132,360 1.577,361 0.599,365 1.495,366 4.382,367 4.382,368 1.899,369 1.899,371 0.68,372 5.613,373 3.418,374 4.592,375 58.145,376 58.145,377 43,378 3.347,379 206.968,380 4.826,381 1.598,382 3.636,383 94.726,384 1.404,385 6.735,386 1.968,387 0.151,388 1.364,389 7.284,390 3.368,391 3.358,392 1,393 1.348,394 0.465,395 0.728,396 0.395,397 2.775,398 4.108,399 0.465,400 0.728,401 35.315,402 34.095,403 12.158,404 12.158,405 12.158,406 12.158,407 12.158,408 174.541,409 417.641,410 4.391,411 4.519,412 4.65,413 6.983,414 2.194,415 3.536,416 38.032,417 5.44,418 15.897,419 4.503,420 5.709,421 4.631,422 4.396,423 449.256,424 1.104,425 45.424,426 0.93,427 16.365,428 -0.151,429 3.789,430 5.638,431 1,432 8.165,433 7.701,434 4.684,435 42.893,436 2.985,437 56.98,438 56.98,439 13.614,440 6.51,441 12.69,442 322.38,443 17.364,444 9.417,445 2.847,446 0.632,447 0.265,448 12.351,449 0.168,450 848,451 7.896,452 2.396,453 4.742,454 3.486,455 3.398,456 5.332,457 3.318,458 11.04,459 226.477,460 42,461 42.262,462 0.885,463 1.062,464 1.069,465 1.78,466 4.249,467 4.474,468 18,469 7.343,470 9.271,471 0.86,472 6.477,473 17.364,474 0.594,475 8.488,476 -0.121,478 2.391,479 3.454,480 5.768,481 0.127,482 3.78,483 1.97,484 0.674,485 3.43,486 2.273,487 1.263,489 3.304,490 15.169,491 25.267,492 3.536,493 0.406,495 -0.131,496 2.064,497 93.922,498 3.737,499 32,500 0.673,501 3.497,502 4.745,503 5.557,504 16.356,505 4.174,506 0.673,507 36.91,508 35.416,509 0.17,510 5.187,511 6.648,512 114,513 129,514 3.318,515 0.792,516 5.322,517 0.771,518 58.145,519 3,520 3.42,521 4.045,522 20.615,524 3.656,525 3.65,526 1,527 1.436,528 1,529 1.436,530 5.586,531 3.304,532 1.146,533 27.6,534 2.659,535 2.659,536 1.123,537 1.835,538 25.512,539 8,540 4.91,541 5.125,542 3.406,543 8.807,545 3.896,546 4.408,547 3.458,548 7.676,549 3.559,550 3.412,551 1.065,552 0.745,553 1,554 0.227,555 0.998,556 1.664,557 3.765,558 3.156,559 2.207,560 2.207,562 0.567,564 2.297,570 3.567,571 0.939,572 0.205,576 3,578 2.687,579 112,580 270.024,581 4.521,582 11.333,583 0.078,584 7.831,585 8.785,586 37.47,587 4.5,589 398.942,590 375.567,591 352,592 3.151,593 0.33,594 2.082,596 3.256,597 1.114,598 3.256,599 0.188,600 58.145,601 3.973,602 4.899,603 6.392,604 7.225,605 5.501,606 5.694,607 5.627,608 0.131,609 43.305,612 0.792,613 3.074,614 12,615 2.498,616 7.053,617 28.671,618 1.188,619 0.986,620 3.251,621 2.929,622 2.931,623 1.575,625 8,626 4.845,627 23.474,628 14.245,629 16.241,630 18.625,631 10.288,632 20.788,633 11.443,634 23.117,635 20.882,636 12.425,637 12.277,638 22.692,639 13.536,640 24.51,641 14.571,642 26.335,643 15.666,644 28.167,645 16.68,646 0.577,647 3.812,648 4.276,649 4.492,650 4,651 1.433,652 6,653 3.611,654 5.862,655 1.433,656 3.3,657 1.469,658 1.107,659 14.687,660 1.365,661 11,662 2.012,663 1,664 9.518,665 11.276,666 5672,667 5.988,668 5.988,669 4.867,670 0.64,671 0.512,672 0.142,673 3.396,674 3.741,675 1.333,676 1.674,677 3.838,678 1.476,679 46.574,680 1.662,681 6,682 1.376,683 1.544,684 0.845,685 0.874,686 0.291,687 2.763,688 3.222,689 44.76,690 44.76,691 0.435,692 0.435,693 1.284,694 1.284,695 31.827,696 3.97,697 3.892,698 5.098,700 4.388,701 7.347,702 1.937,703 2.81,704 3.912,705 3.932,706 2,707 0.86,708 5.363,709 6.89,712 1.155,713 0.85,714 4.541,715 4.719,716 4.335,717 0.007,718 0.114,719 -0.125,723 0.914,724 6.89,725 1.499,726 2.032,728 179.231,729 179.231,730 1.45,731 211.88,732 3.545,733 1.419,734 2.424,735 2.94,736 3.555,737 4.218,738 4.901,739 5.594,740 2.837,741 1.419,742 0.537,743 2.456,744 0.057,745 0.044,746 0.661,747 0.009,748 23.337,749 19.575,750 2.186,751 15,752 4,753 0.865,754 13.384,755 0.413,756 3.671,757 18.5,758 3.671,760 4.036,761 1.505,762 9,763 1.041,764 2.83,765 1.923,771 4}
{0 CHEMBL606235,1 1.315,2 2,3 1,4 1,5 1,6 8,7 10,8 3.843,9 0.989,10 0.766,11 1.315,12 -0.139,13 -0.055,15 1,16 2,17 2,18 2,19 1,20 1,21 2,22 2,23 1,24 1,25 1,26 2,27 172.581,28 172.581,29 132.006,30 0.553,31 4.85,32 1.38,33 3.843,37 10.352,38 5.121,39 2.391,40 0.022,41 2.87,42 2,43 1,46 105.646,47 0.154,49 1,51 4.87,52 2.87,53 0.466,54 0.087,55 0.53,56 3.462,57 2.324,58 21.758,59 1.466,60 1,61 172.581,62 6.031,63 2.83,64 8.597,65 2.83,66 8.597,67 4.83,68 6.031,69 2.83,70 8.597,73 0.016,74 -0.002,75 -0.016,76 7,77 15,78 -0.251,79 4.592,80 3.977,81 3.995,82 3.925,83 3.91,84 3.91,85 8.292,86 148.666,87 8.773,88 8.773,89 0.543,90 2.022,91 5.082,92 -0.851,95 30.278,96 52.123,97 3.309,98 1.585,99 15.721,100 0.955,101 -0.066,102 7.9,103 0.234,107 1,109 3,114 1.663,115 1.658,117 1.212,118 9.849,119 11.567,120 12.524,121 14.088,122 15.178,123 0.095,124 42.649,125 5.339,126 4.225,127 -0.185,128 1.104,129 4.803,130 1.979,131 164.666,132 23.896,133 26.046,134 28.137,135 13.964,136 30.278,137 15.023,138 15.973,139 32.393,140 16.026,141 122.592,142 1.269,143 0.041,144 0.562,145 11.345,146 3.22,147 3.28,148 3.07,149 2.962,150 2.978,151 1.171,152 1.102,153 1.452,154 172.666,155 6.666,156 6.457,157 5.43,158 3.414,159 2.275,161 3.205,162 2.275,163 8.501,164 4.007,165 4.527,166 4.691,167 9.788,168 44.632,169 4.938,170 3.538,171 3.547,172 5.378,173 3.426,174 3.388,175 3.3,176 0.67,177 5.762,178 7.484,179 4.494,180 5.432,181 3.145,182 15.085,183 15.085,184 15.085,185 15.085,186 15.085,187 13.233,188 9.256,189 15.371,190 3.811,191 1.959,192 47,193 2.403,194 1.015,195 -0.012,196 0.534,197 -0.424,198 -0.54,199 -0.819,200 -0.402,201 0.865,202 -0.167,203 2,204 0.472,205 -0.525,206 -0.758,207 -1.002,208 -0.51,209 2,210 -1.375,211 -2.194,212 -0.743,214 -1,215 12.75,216 5351,217 4.424,218 848.269,219 9915.61,220 4.398,221 104.648,222 22.397,223 3.178,224 3.178,225 23,226 22,227 7.167,228 5.194,229 29,230 52.333,232 6,233 3.566,234 150.846,235 90.107,236 4.71,237 -0.424,238 -0.525,239 -0.819,240 -1.002,241 -2.194,242 2.403,243 5422,244 9513,245 2.935,246 2.854,247 4.006,248 2.715,249 2.854,250 2.735,251 3.674,252 2.715,253 0.183,254 0.262,255 0.167,256 0.123,257 0.374,258 0.125,259 0.868,260 1.081,261 0.821,262 1.181,263 0.821,264 3.85,265 10.724,266 10.363,267 10.724,268 66.944,269 22.476,270 0.779,271 0.303,272 10.624,273 2.925,274 4.304,275 4.138,276 3.922,277 11.667,278 290.71,279 1.414,280 1.416,282 4.811,283 29.449,284 5.868,285 11,286 3.912,287 3.468,290 3.759,291 3.125,292 2.118,293 2.952,294 2.5,295 2.5,296 1,297 1.5,298 0.703,299 0.5,301 -1,302 -1,303 0.5,304 1.536,305 -1,306 -1.5,307 -2.813,308 0.181,309 0.111,310 3.584,311 19,313 3.526,314 1,315 38.858,316 33,317 0.703,318 6.866,319 -1,320 -1,321 -2.813,322 3.125,323 2.118,324 34.547,325 3.883,326 3.815,327 3.815,328 4.444,329 1.854,330 0.899,331 1.181,332 0.218,333 1.107,334 8.059,335 7.236,336 7.236,337 112.525,338 123.973,339 176.567,343 3.798,350 3.798,351 16.651,352 17.825,353 19.241,354 20.468,355 6.798,356 3.798,357 2.858,359 7.796,360 1.572,361 0.617,365 1.491,366 4.214,367 4.214,368 1.553,369 1.553,371 0.661,372 5.525,373 3.238,374 4.592,375 47.145,376 47.145,377 39,378 3.332,379 176.666,380 4.488,381 1.609,382 3.563,383 85.025,384 1.412,385 6.57,386 1.97,387 0.155,388 1.299,389 6.755,390 3.309,391 3.288,392 0.853,393 1.31,394 0.399,395 0.651,396 0.361,397 2.454,398 4.032,399 0.399,400 0.651,401 32.511,402 31.748,403 11.236,404 11.236,405 11.236,406 11.236,407 11.236,408 160.953,409 384.485,410 4.309,411 4.456,412 4.533,413 6.384,414 2.035,415 3.538,416 31.812,417 5.44,418 14.774,419 4.054,420 5.485,421 4.354,422 4.082,423 408.064,424 1.072,425 36.854,426 0.942,427 11.516,428 -0.07,429 3.697,430 5.346,431 1,432 6.129,433 6.768,434 4.221,435 34.655,436 2.804,437 49.956,438 49.956,439 12.283,440 6.43,441 11.594,442 292.35,443 15.786,444 8.551,445 2.533,446 0.574,447 0.238,448 12.082,449 0.102,450 708,451 7.879,452 2.379,453 4.541,454 3.29,455 3.217,456 5.169,457 3.143,458 9.451,459 199.421,460 38,461 38.051,462 0.886,463 1.062,464 1.076,465 1.51,466 3.972,467 4.168,468 16,469 7.12,470 9.115,471 0.86,472 5.679,473 15.786,474 0.58,475 7.054,476 -0.564,478 2.312,479 3.414,480 5.639,481 0.133,482 3.635,483 1.966,484 0.664,485 3.425,486 2,487 1,489 3.226,490 12.622,491 22.5,492 3.317,493 0.324,495 -0.104,496 1.824,497 87.459,498 3.63,499 29,500 0.429,501 3.401,502 4.654,503 5.451,504 15.047,505 4.078,506 0.429,507 34.164,508 32.574,509 0.13,510 5.094,511 6.535,512 104,513 116,514 3.319,515 0.745,516 5.1,517 0.818,518 47.145,519 5,520 3.24,521 3.562,522 16.673,524 3.551,525 3.594,526 1,527 1.413,528 1,529 1.413,530 5.484,531 3.004,532 1.14,533 25.359,534 2.275,535 2.275,536 1.122,537 1.5,538 19.295,539 9,540 4.88,541 4.963,542 3.403,543 7.946,545 3.793,546 4.282,547 3.46,548 7.693,549 3.558,550 3.411,551 1.064,552 0.66,553 1,554 0.213,555 0.973,556 1.637,557 3.684,558 3.128,559 2.173,560 2.173,562 0.558,564 2.279,570 3.522,571 0.788,572 0.174,576 2,578 2.687,579 94,580 235.482,581 4.278,582 10.5,583 0.033,584 7.563,585 8.047,586 33.85,587 4,589 343.207,590 329.33,591 308,592 2.959,593 0.67,594 2.063,596 2.6,597 1.075,598 2.6,599 0.184,600 47.145,601 3.432,602 4.696,603 6.267,604 7.083,605 5.38,606 5.557,607 5.517,608 0.016,609 33.021,612 0.674,613 3.106,614 11,615 2.349,616 6.568,617 26.455,618 0.625,619 0.809,620 2.966,621 2.78,622 2.777,623 1.519,625 9,626 4.861,627 23.633,628 13.642,629 15.447,630 17.703,631 9.896,632 19.669,633 11.036,634 21.848,635 20.343,636 11.923,637 11.91,638 22.086,639 13,640 23.834,641 13.946,642 25.586,643 14.992,644 27.342,645 14.549,646 0.575,647 3.706,648 4.155,649 4.351,650 3,651 1.326,652 5,653 3.434,654 5.682,655 1.326,656 3.124,657 1.466,658 1.107,659 12.345,660 1.398,661 12,662 1.939,663 1,664 9.245,665 11.132,666 4476,667 5.201,668 5.201,669 4.17,670 0.611,671 0.376,672 0.152,673 3.296,674 3.584,675 0.757,676 1.148,677 3.827,678 1.485,679 41.95,680 1.666,681 5,682 1.38,683 1.474,684 0.848,685 0.881,686 0.294,687 2.735,688 3.054,689 35.53,690 35.53,691 0.258,692 0.258,693 1,694 1,695 26.584,696 3.807,697 3.761,698 4.972,700 4.205,701 7.199,702 1.933,703 2.676,704 3.807,705 3.714,706 1,707 0.828,708 5.313,709 6.857,712 0.824,713 1.01,714 4.333,715 4.544,716 4.005,717 -0.05,718 0.001,719 -0.139,723 0.886,724 6.857,725 1.472,726 2.038,728 172.581,729 172.581,730 1.452,731 188.338,732 3.544,733 1.419,734 2.322,735 2.896,736 3.538,737 4.211,738 4.899,739 5.593,740 2.837,741 1.419,742 0.512,743 2.129,744 0.062,745 0.047,746 0.664,747 0.011,748 19.11,749 14.12,750 1.91,751 15,752 4,753 0.959,754 12.994,755 0.362,756 3.657,757 18,758 3.657,760 3.933,761 1.502,762 11,763 0.965,764 2.687,765 1.922,771 4}