@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1938212 @attribute molecule_id {CHEMBL1938900,CHEMBL2164243,CHEMBL2164244,CHEMBL2164245,CHEMBL2164246,CHEMBL2164247,CHEMBL2164248,CHEMBL2164249,CHEMBL222824,CHEMBL51979} @attribute AAC numeric @attribute AECC numeric @attribute ALOGP numeric @attribute ALOGP2 numeric @attribute AMR numeric @attribute AMW numeric @attribute ARR numeric @attribute ATS1e numeric @attribute ATS1i numeric @attribute ATS1m numeric @attribute ATS1p numeric @attribute ATS1s numeric @attribute ATS1v numeric @attribute ATS2e numeric @attribute ATS2i numeric @attribute ATS2m numeric @attribute ATS2p numeric @attribute ATS2s numeric @attribute ATS2v numeric @attribute ATS3e numeric @attribute ATS3i numeric @attribute ATS3m numeric @attribute ATS3p numeric @attribute ATS3s numeric @attribute ATS3v numeric @attribute ATS4e numeric @attribute ATS4i numeric @attribute ATS4m numeric @attribute ATS4p numeric @attribute ATS4s numeric @attribute ATS4v numeric @attribute ATS5e numeric @attribute ATS5i numeric @attribute ATS5m numeric @attribute ATS5p numeric @attribute ATS5s numeric @attribute ATS5v numeric @attribute ATS6e numeric @attribute ATS6i numeric @attribute ATS6m numeric @attribute ATS6p numeric @attribute ATS6s numeric @attribute ATS6v numeric @attribute ATS7e numeric @attribute ATS7i numeric @attribute ATS7m numeric @attribute ATS7p numeric @attribute ATS7s numeric @attribute ATS7v numeric @attribute ATS8e numeric @attribute ATS8i numeric @attribute ATS8m numeric @attribute ATS8p numeric @attribute ATS8s numeric @attribute ATS8v numeric @attribute ATSC1e numeric @attribute ATSC1i numeric @attribute ATSC1m numeric @attribute ATSC1p numeric @attribute ATSC1s numeric @attribute ATSC1v numeric @attribute ATSC2e numeric @attribute ATSC2i numeric @attribute ATSC2m numeric @attribute ATSC2p numeric @attribute ATSC2s numeric @attribute ATSC2v numeric @attribute ATSC3e numeric @attribute ATSC3i numeric @attribute ATSC3m numeric @attribute ATSC3p numeric @attribute ATSC3s numeric @attribute ATSC3v numeric @attribute ATSC4e numeric @attribute ATSC4i numeric @attribute ATSC4m numeric @attribute ATSC4p numeric @attribute ATSC4s numeric @attribute ATSC4v numeric @attribute ATSC5e numeric @attribute ATSC5i numeric @attribute ATSC5m numeric @attribute ATSC5p numeric @attribute ATSC5s numeric @attribute ATSC5v numeric @attribute ATSC6e numeric @attribute ATSC6i numeric @attribute ATSC6m numeric @attribute ATSC6p numeric @attribute ATSC6s numeric @attribute ATSC6v numeric @attribute ATSC7e numeric @attribute ATSC7i numeric @attribute ATSC7m numeric @attribute ATSC7p numeric @attribute ATSC7s numeric @attribute ATSC7v numeric @attribute ATSC8e numeric @attribute ATSC8i numeric @attribute ATSC8m numeric @attribute ATSC8p numeric @attribute ATSC8s numeric @attribute ATSC8v numeric @attribute BAC numeric @attribute BBI numeric @attribute BIC0 numeric @attribute BIC1 numeric @attribute BIC2 numeric @attribute BIC3 numeric @attribute BIC4 numeric @attribute BIC5 numeric @attribute BID numeric @attribute BLI numeric @attribute BLTA96 numeric @attribute BLTD48 numeric @attribute BLTF96 numeric @attribute C. numeric @attribute C.001 numeric @attribute C.002 numeric @attribute C.005 numeric @attribute C.006 numeric @attribute C.008 numeric @attribute C.016 numeric @attribute C.024 numeric @attribute C.025 numeric @attribute C.026 numeric @attribute C.038 numeric @attribute C.040 numeric @attribute C.041 numeric @attribute CATS2D_00_DD numeric @attribute CATS2D_00_DP numeric @attribute CATS2D_00_PP numeric @attribute CATS2D_01_AA numeric @attribute CATS2D_01_DA numeric @attribute CATS2D_01_DD numeric @attribute CATS2D_01_DP numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_02_AA numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_DA numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_03_AA numeric @attribute CATS2D_03_AL numeric @attribute CATS2D_03_AP numeric @attribute CATS2D_03_DA numeric @attribute CATS2D_03_DL numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_03_PL numeric @attribute CATS2D_04_AA numeric @attribute CATS2D_04_AL numeric @attribute CATS2D_04_AN numeric @attribute CATS2D_04_DL numeric @attribute CATS2D_04_DN numeric @attribute CATS2D_04_LL numeric @attribute CATS2D_04_NL numeric @attribute CATS2D_04_PL numeric @attribute CATS2D_05_AA numeric @attribute CATS2D_05_AL numeric @attribute CATS2D_05_AN numeric @attribute CATS2D_05_DA numeric @attribute CATS2D_05_DD numeric @attribute CATS2D_05_DL numeric @attribute CATS2D_05_DN numeric @attribute CATS2D_05_LL numeric @attribute CATS2D_05_PN numeric @attribute CATS2D_06_AA numeric @attribute CATS2D_06_AL numeric @attribute CATS2D_06_AN numeric @attribute CATS2D_06_AP numeric @attribute CATS2D_06_DA numeric @attribute CATS2D_06_DD numeric @attribute CATS2D_06_DL numeric @attribute CATS2D_06_DP numeric @attribute CATS2D_06_LL numeric @attribute CATS2D_06_NL numeric @attribute CATS2D_07_AA numeric @attribute CATS2D_07_AL numeric @attribute CATS2D_07_DA numeric @attribute CATS2D_07_DL numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_07_NL numeric @attribute CATS2D_08_AL numeric @attribute CATS2D_08_DL numeric @attribute CATS2D_08_LL numeric @attribute CATS2D_09_AL numeric @attribute CATS2D_09_DA numeric @attribute CATS2D_09_DD numeric @attribute CATS2D_09_DL numeric @attribute CATS2D_09_DN numeric @attribute CATS2D_09_LL numeric @attribute CENT numeric @attribute Chi0_AEA.bo. numeric @attribute Chi0_AEA.dm. numeric @attribute Chi0_AEA.ed. numeric @attribute Chi0_AEA.ri. numeric @attribute Chi0_EA numeric @attribute Chi0_EA.bo. numeric @attribute Chi0_EA.dm. numeric @attribute Chi0_EA.ed. numeric @attribute Chi0_EA.ri. numeric @attribute Chi1_AEA.bo. numeric @attribute Chi1_AEA.dm. numeric @attribute Chi1_AEA.ed. numeric @attribute Chi1_AEA.ri. numeric @attribute Chi1_EA numeric @attribute Chi1_EA.bo. numeric @attribute Chi1_EA.dm. numeric @attribute Chi1_EA.ed. numeric @attribute Chi1_EA.ri. numeric @attribute CIC0 numeric @attribute CIC1 numeric @attribute CIC2 numeric @attribute CIC3 numeric @attribute CIC4 numeric @attribute CIC5 numeric @attribute CID numeric @attribute CSI numeric @attribute DBI numeric @attribute D.Dtr06 numeric @attribute D.Dtr10 numeric @attribute DECC numeric @attribute DELS numeric @attribute DLS_02 numeric @attribute DLS_04 numeric @attribute DLS_05 numeric @attribute DLS_06 numeric @attribute DLS_07 numeric @attribute DLS_cons numeric @attribute Dz numeric @attribute ECC numeric @attribute Eig01_AEA.bo. numeric @attribute Eig01_AEA.dm. numeric @attribute Eig01_AEA.ed. numeric @attribute Eig01_AEA.ri. numeric @attribute Eig01_EA numeric @attribute Eig01_EA.bo. numeric @attribute Eig01_EA.dm. numeric @attribute Eig01_EA.ed. numeric @attribute Eig01_EA.ri. numeric @attribute Eig02_AEA.bo. numeric @attribute Eig02_AEA.dm. numeric @attribute Eig02_AEA.ed. numeric @attribute Eig02_AEA.ri. numeric @attribute Eig02_EA numeric @attribute Eig02_EA.bo. numeric @attribute Eig02_EA.dm. numeric @attribute Eig02_EA.ed. numeric @attribute Eig02_EA.ri. numeric @attribute Eig03_AEA.bo. numeric @attribute Eig03_AEA.dm. numeric @attribute Eig03_AEA.ed. numeric @attribute Eig03_AEA.ri. numeric @attribute Eig03_EA numeric @attribute Eig03_EA.bo. numeric @attribute Eig03_EA.dm. numeric @attribute Eig03_EA.ed. numeric @attribute Eig03_EA.ri. numeric @attribute Eig04_AEA.bo. numeric @attribute Eig04_AEA.dm. numeric @attribute Eig04_AEA.ed. numeric @attribute Eig04_AEA.ri. numeric @attribute Eig04_EA numeric @attribute Eig04_EA.bo. numeric @attribute Eig04_EA.dm. numeric @attribute Eig04_EA.ed. numeric @attribute Eig04_EA.ri. numeric @attribute Eig05_AEA.bo. numeric @attribute Eig05_AEA.dm. numeric @attribute Eig05_AEA.ed. numeric @attribute Eig05_AEA.ri. numeric @attribute Eig05_EA numeric @attribute Eig05_EA.bo. numeric @attribute Eig05_EA.dm. numeric @attribute Eig05_EA.ed. numeric @attribute Eig05_EA.ri. numeric @attribute Eig06_AEA.bo. numeric @attribute Eig06_AEA.dm. numeric @attribute Eig06_AEA.ed. numeric @attribute Eig06_AEA.ri. numeric @attribute Eig06_EA numeric @attribute Eig06_EA.bo. numeric @attribute Eig06_EA.dm. numeric @attribute Eig06_EA.ed. numeric @attribute Eig06_EA.ri. numeric @attribute Eig07_AEA.bo. numeric @attribute Eig07_AEA.dm. numeric @attribute Eig07_AEA.ed. numeric @attribute Eig07_AEA.ri. numeric @attribute Eig07_EA numeric @attribute Eig07_EA.bo. numeric @attribute Eig07_EA.dm. numeric @attribute Eig07_EA.ed. numeric @attribute Eig07_EA.ri. numeric @attribute Eig08_AEA.bo. numeric @attribute Eig08_AEA.dm. numeric @attribute Eig08_AEA.ed. numeric @attribute Eig08_AEA.ri. numeric @attribute Eig08_EA numeric @attribute Eig08_EA.bo. numeric @attribute Eig08_EA.dm. numeric @attribute Eig08_EA.ed. numeric @attribute Eig08_EA.ri. numeric @attribute Eig09_AEA.bo. numeric @attribute Eig09_AEA.dm. numeric @attribute Eig09_AEA.ed. numeric @attribute Eig09_AEA.ri. numeric @attribute Eig09_EA numeric @attribute Eig09_EA.bo. numeric @attribute Eig09_EA.dm. numeric @attribute Eig09_EA.ed. numeric @attribute Eig09_EA.ri. numeric @attribute Eig10_AEA.bo. numeric @attribute Eig10_AEA.dm. numeric @attribute Eig10_AEA.ed. numeric @attribute Eig10_AEA.ri. numeric @attribute Eig10_EA numeric @attribute Eig10_EA.bo. numeric @attribute Eig10_EA.dm. numeric @attribute Eig10_EA.ed. numeric @attribute Eig10_EA.ri. numeric @attribute Eig11_AEA.bo. numeric @attribute Eig11_AEA.dm. numeric @attribute Eig11_AEA.ed. numeric @attribute Eig11_AEA.ri. numeric @attribute Eig11_EA numeric @attribute Eig11_EA.bo. numeric @attribute Eig11_EA.dm. numeric @attribute Eig11_EA.ed. numeric @attribute Eig11_EA.ri. numeric @attribute Eig12_AEA.bo. numeric @attribute Eig12_AEA.dm. numeric @attribute Eig12_AEA.ed. numeric @attribute Eig12_AEA.ri. numeric @attribute Eig12_EA numeric @attribute Eig12_EA.bo. numeric @attribute Eig12_EA.ed. numeric @attribute Eig12_EA.ri. numeric @attribute Eig13_AEA.bo. numeric @attribute Eig13_AEA.dm. numeric @attribute Eig13_AEA.ed. numeric @attribute Eig13_AEA.ri. numeric @attribute Eig13_EA numeric @attribute Eig13_EA.bo. numeric @attribute Eig13_EA.ed. numeric @attribute Eig13_EA.ri. numeric @attribute Eig14_AEA.bo. numeric @attribute Eig14_AEA.dm. numeric @attribute Eig14_AEA.ed. numeric @attribute Eig14_AEA.ri. numeric @attribute Eig14_EA numeric @attribute Eig14_EA.bo. numeric @attribute Eig14_EA.ed. numeric @attribute Eig14_EA.ri. numeric @attribute Eig15_AEA.bo. numeric @attribute Eig15_AEA.dm. numeric @attribute Eig15_AEA.ed. numeric @attribute Eig15_AEA.ri. numeric @attribute Eig15_EA numeric @attribute Eig15_EA.bo. numeric @attribute Eig15_EA.ed. numeric @attribute Eig15_EA.ri. numeric @attribute Eta_alpha numeric @attribute Eta_alpha_A numeric @attribute Eta_B numeric @attribute Eta_B_A numeric @attribute Eta_beta numeric @attribute Eta_beta_A numeric @attribute Eta_betaP numeric @attribute Eta_betaP_A numeric @attribute Eta_betaS numeric @attribute Eta_betaS_A numeric @attribute Eta_C numeric @attribute Eta_C_A numeric @attribute Eta_epsi numeric @attribute Eta_epsi_A numeric @attribute Eta_F numeric @attribute Eta_F_A numeric @attribute Eta_FL numeric @attribute Eta_FL_A numeric @attribute Eta_L numeric @attribute Eta_L_A numeric @attribute Eta_sh_p numeric @attribute Eta_sh_x numeric @attribute Eta_sh_y numeric @attribute GATS1e numeric @attribute GATS1i numeric @attribute GATS1m numeric @attribute GATS1p numeric @attribute GATS1s numeric @attribute GATS1v numeric @attribute GATS2e numeric @attribute GATS2i numeric @attribute GATS2m numeric @attribute GATS2p numeric @attribute GATS2s numeric @attribute GATS2v numeric @attribute GATS3e numeric @attribute GATS3i numeric @attribute GATS3m numeric @attribute GATS3p numeric @attribute GATS3s numeric @attribute GATS3v numeric @attribute GATS4e numeric @attribute GATS4i numeric @attribute GATS4m numeric @attribute GATS4p numeric @attribute GATS4s numeric @attribute GATS4v numeric @attribute GATS5e numeric @attribute GATS5i numeric @attribute GATS5m numeric @attribute GATS5p numeric @attribute GATS5s numeric @attribute GATS5v numeric @attribute GATS6e numeric @attribute GATS6i numeric @attribute GATS6m numeric @attribute GATS6p numeric @attribute GATS6s numeric @attribute GATS6v numeric @attribute GATS7e numeric @attribute GATS7i numeric @attribute GATS7m numeric @attribute GATS7p numeric @attribute GATS7s numeric @attribute GATS7v numeric @attribute GATS8e numeric @attribute GATS8i numeric @attribute GATS8m numeric @attribute GATS8p numeric @attribute GATS8s numeric @attribute GATS8v numeric @attribute GGI1 numeric @attribute GGI10 numeric @attribute GGI2 numeric @attribute GGI3 numeric @attribute GGI4 numeric @attribute GGI5 numeric @attribute GGI6 numeric @attribute GGI7 numeric @attribute GGI8 numeric @attribute GGI9 numeric @attribute GMTI numeric @attribute GMTIV numeric @attribute GNar numeric @attribute H. numeric @attribute H.047 numeric @attribute H.050 numeric @attribute H.051 numeric @attribute H.052 numeric @attribute HDcpx numeric @attribute HNar numeric @attribute HVcpx numeric @attribute Hy numeric @attribute IAC numeric @attribute IC0 numeric @attribute IC1 numeric @attribute IC2 numeric @attribute IC3 numeric @attribute IC4 numeric @attribute IC5 numeric @attribute ICR numeric @attribute IDDE numeric @attribute IDDM numeric @attribute IDE numeric @attribute IDET numeric @attribute IDM numeric @attribute IDMT numeric @attribute ISIZ numeric @attribute IVDE numeric @attribute IVDM numeric @attribute JGI1 numeric @attribute JGI10 numeric @attribute JGI2 numeric @attribute JGI3 numeric @attribute JGI4 numeric @attribute JGI5 numeric @attribute JGI6 numeric @attribute JGI7 numeric @attribute JGI8 numeric @attribute JGI9 numeric @attribute JGT numeric @attribute LLS_01 numeric @attribute LLS_02 numeric @attribute LOC numeric @attribute LPRS numeric @attribute MATS1e numeric @attribute MATS1i numeric @attribute MATS1m numeric @attribute MATS1p numeric @attribute MATS1s numeric @attribute MATS1v numeric @attribute MATS2e numeric @attribute MATS2i numeric @attribute MATS2m numeric @attribute MATS2p numeric @attribute MATS2s numeric @attribute MATS2v numeric @attribute MATS3e numeric @attribute MATS3i numeric @attribute MATS3m numeric @attribute MATS3p numeric @attribute MATS3s numeric @attribute MATS3v numeric @attribute MATS4e numeric @attribute MATS4i numeric @attribute MATS4m numeric @attribute MATS4p numeric @attribute MATS4s numeric @attribute MATS4v numeric @attribute MATS5e numeric @attribute MATS5i numeric @attribute MATS5m numeric @attribute MATS5p numeric @attribute MATS5s numeric @attribute MATS5v numeric @attribute MATS6e numeric @attribute MATS6i numeric @attribute MATS6m numeric @attribute MATS6p numeric @attribute MATS6s numeric @attribute MATS6v numeric @attribute MATS7e numeric @attribute MATS7i numeric @attribute MATS7m numeric @attribute MATS7p numeric @attribute MATS7s numeric @attribute MATS7v numeric @attribute MATS8e numeric @attribute MATS8i numeric @attribute MATS8m numeric @attribute MATS8p numeric @attribute MATS8s numeric @attribute MATS8v numeric @attribute MAXDN numeric @attribute MAXDP numeric @attribute MCD numeric @attribute MDDD numeric @attribute Me numeric @attribute Mi numeric @attribute MLOGP numeric @attribute MLOGP2 numeric @attribute Mp numeric @attribute MPC01 numeric @attribute MPC02 numeric @attribute MPC03 numeric @attribute MPC04 numeric @attribute MPC05 numeric @attribute MPC06 numeric @attribute MPC07 numeric @attribute MPC08 numeric @attribute MPC09 numeric @attribute MPC10 numeric @attribute MSD numeric @attribute Mv numeric @attribute MW numeric @attribute MWC01 numeric @attribute MWC02 numeric @attribute MWC03 numeric @attribute MWC04 numeric @attribute MWC05 numeric @attribute MWC06 numeric @attribute MWC07 numeric @attribute MWC08 numeric @attribute MWC09 numeric @attribute MWC10 numeric @attribute N. numeric @attribute N.067 numeric @attribute N.068 numeric @attribute N.069 numeric @attribute N.072 numeric @attribute N.079 numeric @attribute NaaaC numeric @attribute NaaCH numeric @attribute NaasC numeric @attribute nAB numeric @attribute nArOCON numeric @attribute nAT numeric @attribute nBM numeric @attribute nBnz numeric @attribute nBO numeric @attribute nBT numeric @attribute nC numeric @attribute nCar numeric @attribute nCb. numeric @attribute nCbH numeric @attribute nCconj numeric @attribute nCIC numeric @attribute nCIR numeric @attribute nCp numeric @attribute nCs numeric @attribute nCsp2 numeric @attribute nCsp3 numeric @attribute nDB numeric @attribute NdO numeric @attribute NdsCH numeric @attribute NdssC numeric @attribute nH numeric @attribute nHAcc numeric @attribute nHDon numeric @attribute nHet numeric @attribute nN numeric @attribute nN. numeric @attribute nN.N numeric @attribute nNq numeric @attribute NNRS numeric @attribute nO numeric @attribute nR06 numeric @attribute nR10 numeric @attribute nRCO numeric @attribute nRCONHR numeric @attribute nR.Cs numeric @attribute nRNHO numeric @attribute nRNHR numeric @attribute nROH numeric @attribute NRS numeric @attribute NsCH3 numeric @attribute nSK numeric @attribute NsNH2 numeric @attribute NsOH numeric @attribute NssCH2 numeric @attribute NssNH numeric @attribute NssO numeric @attribute NsssCH numeric @attribute NsssN numeric @attribute NssssN. numeric @attribute O. numeric @attribute O.056 numeric @attribute O.058 numeric @attribute O.060 numeric @attribute ON0 numeric @attribute ON0V numeric @attribute ON1 numeric @attribute ON1V numeric @attribute PCD numeric @attribute PCR numeric @attribute PDI numeric @attribute PHI numeric @attribute piID numeric @attribute piPC01 numeric @attribute piPC02 numeric @attribute piPC03 numeric @attribute piPC04 numeric @attribute piPC05 numeric @attribute piPC06 numeric @attribute piPC07 numeric @attribute piPC08 numeric @attribute piPC09 numeric @attribute piPC10 numeric @attribute PJI2 numeric @attribute Pol numeric @attribute Psi_e_0 numeric @attribute Psi_e_0d numeric @attribute Psi_e_1 numeric @attribute Psi_e_1d numeric @attribute Psi_e_A numeric @attribute Psi_i_0 numeric @attribute Psi_i_0d numeric @attribute Psi_i_1 numeric @attribute Psi_i_1d numeric @attribute Psi_i_1s numeric @attribute Psi_i_A numeric @attribute Psi_i_s numeric @attribute Psi_i_t numeric @attribute P_VSA_e_1 numeric @attribute P_VSA_e_2 numeric @attribute P_VSA_e_3 numeric @attribute P_VSA_e_5 numeric @attribute P_VSA_i_2 numeric @attribute P_VSA_i_3 numeric @attribute P_VSA_i_4 numeric @attribute P_VSA_LogP_1 numeric @attribute P_VSA_LogP_2 numeric @attribute P_VSA_LogP_3 numeric @attribute P_VSA_LogP_4 numeric @attribute P_VSA_LogP_5 numeric @attribute P_VSA_LogP_6 numeric @attribute P_VSA_LogP_7 numeric @attribute P_VSA_m_1 numeric @attribute P_VSA_m_2 numeric @attribute P_VSA_m_3 numeric @attribute P_VSA_MR_1 numeric @attribute P_VSA_MR_2 numeric @attribute P_VSA_MR_3 numeric @attribute P_VSA_MR_5 numeric @attribute P_VSA_MR_6 numeric @attribute P_VSA_MR_7 numeric @attribute P_VSA_p_1 numeric @attribute P_VSA_p_2 numeric @attribute P_VSA_p_3 numeric @attribute P_VSA_s_2 numeric @attribute P_VSA_s_3 numeric @attribute P_VSA_s_4 numeric @attribute P_VSA_s_5 numeric @attribute P_VSA_s_6 numeric @attribute P_VSA_v_1 numeric @attribute P_VSA_v_2 numeric @attribute P_VSA_v_3 numeric @attribute PW2 numeric @attribute PW3 numeric @attribute PW4 numeric @attribute PW5 numeric @attribute Qindex numeric @attribute Ram numeric @attribute RBF numeric @attribute RBN numeric @attribute Rbrid numeric @attribute RCI numeric @attribute RDCHI numeric @attribute RDSQ numeric @attribute RFD numeric @attribute Rperim numeric @attribute S0K numeric @attribute S1K numeric @attribute S2K numeric @attribute S3K numeric @attribute SaaaC numeric @attribute SAacc numeric @attribute SaaCH numeric @attribute SaasC numeric @attribute SAdon numeric @attribute SAtot numeric @attribute SCBO numeric @attribute SdO numeric @attribute SdsCH numeric @attribute SdssC numeric @attribute Se numeric @attribute Si numeric @attribute SIC0 numeric @attribute SIC1 numeric @attribute SIC2 numeric @attribute SIC3 numeric @attribute SIC4 numeric @attribute SIC5 numeric @attribute SM02_AEA.bo. numeric @attribute SM02_AEA.dm. numeric @attribute SM02_AEA.ed. numeric @attribute SM02_AEA.ri. numeric @attribute SM02_EA numeric @attribute SM02_EA.bo. numeric @attribute SM02_EA.dm. numeric @attribute SM02_EA.ed. numeric @attribute SM02_EA.ri. numeric @attribute SM03_AEA.bo. numeric @attribute SM03_AEA.dm. numeric @attribute SM03_AEA.ed. numeric @attribute SM03_AEA.ri. numeric @attribute SM03_EA numeric @attribute SM03_EA.bo. numeric @attribute SM03_EA.dm. numeric @attribute SM03_EA.ed. numeric @attribute SM03_EA.ri. numeric @attribute SM04_AEA.bo. numeric @attribute SM04_AEA.dm. numeric @attribute SM04_AEA.ed. numeric @attribute SM04_AEA.ri. numeric @attribute SM04_EA numeric @attribute SM04_EA.bo. numeric @attribute SM04_EA.dm. numeric @attribute SM04_EA.ed. numeric @attribute SM04_EA.ri. numeric @attribute SM05_AEA.bo. numeric @attribute SM05_AEA.dm. numeric @attribute SM05_AEA.ed. numeric @attribute SM05_AEA.ri. numeric @attribute SM05_EA numeric @attribute SM05_EA.bo. numeric @attribute SM05_EA.dm. numeric @attribute SM05_EA.ed. numeric @attribute SM05_EA.ri. numeric @attribute SM06_AEA.bo. numeric @attribute SM06_AEA.dm. numeric @attribute SM06_AEA.ed. numeric @attribute SM06_AEA.ri. numeric @attribute SM06_EA numeric @attribute SM06_EA.bo. numeric @attribute SM06_EA.dm. numeric @attribute SM06_EA.ed. numeric @attribute SM06_EA.ri. numeric @attribute SM07_AEA.bo. numeric @attribute SM07_AEA.dm. numeric @attribute SM07_AEA.ed. numeric @attribute SM07_AEA.ri. numeric @attribute SM07_EA numeric @attribute SM07_EA.bo. numeric @attribute SM07_EA.dm. numeric @attribute SM07_EA.ed. numeric @attribute SM07_EA.ri. numeric @attribute SM08_AEA.bo. numeric @attribute SM08_AEA.dm. numeric @attribute SM08_AEA.ed. numeric @attribute SM08_AEA.ri. numeric @attribute SM08_EA numeric @attribute SM08_EA.bo. numeric @attribute SM08_EA.dm. numeric @attribute SM08_EA.ed. numeric @attribute SM08_EA.ri. numeric @attribute SM09_AEA.bo. numeric @attribute SM09_AEA.dm. numeric @attribute SM09_AEA.ed. numeric @attribute SM09_AEA.ri. numeric @attribute SM09_EA numeric @attribute SM09_EA.bo. numeric @attribute SM09_EA.dm. numeric @attribute SM09_EA.ed. numeric @attribute SM09_EA.ri. numeric @attribute SM10_AEA.bo. numeric @attribute SM10_AEA.dm. numeric @attribute SM10_AEA.ed. numeric @attribute SM10_AEA.ri. numeric @attribute SM10_EA numeric @attribute SM10_EA.bo. numeric @attribute SM10_EA.dm. numeric @attribute SM10_EA.ed. numeric @attribute SM10_EA.ri. numeric @attribute SM11_AEA.bo. numeric @attribute SM11_AEA.dm. numeric @attribute SM11_AEA.ed. numeric @attribute SM11_AEA.ri. numeric @attribute SM11_EA numeric @attribute SM11_EA.bo. numeric @attribute SM11_EA.dm. numeric @attribute SM11_EA.ed. numeric @attribute SM11_EA.ri. numeric @attribute SM12_AEA.bo. numeric @attribute SM12_AEA.dm. numeric @attribute SM12_AEA.ed. numeric @attribute SM12_AEA.ri. numeric @attribute SM12_EA numeric @attribute SM12_EA.bo. numeric @attribute SM12_EA.dm. numeric @attribute SM12_EA.ed. numeric @attribute SM12_EA.ri. numeric @attribute SM13_AEA.bo. numeric @attribute SM13_AEA.dm. numeric @attribute SM13_AEA.ed. numeric @attribute SM13_AEA.ri. numeric @attribute SM13_EA numeric @attribute SM13_EA.bo. numeric @attribute SM13_EA.dm. numeric @attribute SM13_EA.ed. numeric @attribute SM13_EA.ri. numeric @attribute SM14_AEA.bo. numeric @attribute SM14_AEA.dm. numeric @attribute SM14_AEA.ed. numeric @attribute SM14_AEA.ri. numeric @attribute SM14_EA numeric @attribute SM14_EA.bo. numeric @attribute SM14_EA.dm. numeric @attribute SM14_EA.ed. numeric @attribute SM14_EA.ri. numeric @attribute SM15_AEA.bo. numeric @attribute SM15_AEA.dm. numeric @attribute SM15_AEA.ed. numeric @attribute SM15_AEA.ri. numeric @attribute SM15_EA numeric @attribute SM15_EA.bo. numeric @attribute SM15_EA.dm. numeric @attribute SM15_EA.ed. numeric @attribute SM15_EA.ri. numeric @attribute SMTI numeric @attribute SMTIV numeric @attribute SNar numeric @attribute Sp numeric @attribute SpAD_AEA.bo. numeric @attribute SpAD_AEA.dm. numeric @attribute SpAD_AEA.ed. numeric @attribute SpAD_AEA.ri. numeric @attribute SpAD_EA numeric @attribute SpAD_EA.bo. numeric @attribute SpAD_EA.dm. numeric @attribute SpAD_EA.ed. numeric @attribute SpAD_EA.ri. numeric @attribute SpDiam_AEA.bo. numeric @attribute SpDiam_AEA.dm. numeric @attribute SpDiam_AEA.ed. numeric @attribute SpDiam_AEA.ri. numeric @attribute SpDiam_EA numeric @attribute SpDiam_EA.bo. numeric @attribute SpDiam_EA.dm. numeric @attribute SpDiam_EA.ed. numeric @attribute SpDiam_EA.ri. numeric @attribute SPI numeric @attribute SpMAD_AEA.bo. numeric @attribute SpMAD_AEA.dm. numeric @attribute SpMAD_AEA.ed. numeric @attribute SpMAD_AEA.ri. numeric @attribute SpMAD_EA numeric @attribute SpMAD_EA.bo. numeric @attribute SpMAD_EA.dm. numeric @attribute SpMAD_EA.ed. numeric @attribute SpMAD_EA.ri. numeric @attribute SpMax1_Bh.e. numeric @attribute SpMax1_Bh.i. numeric @attribute SpMax1_Bh.m. numeric @attribute SpMax1_Bh.p. numeric @attribute SpMax1_Bh.s. numeric @attribute SpMax1_Bh.v. numeric @attribute SpMax2_Bh.e. numeric @attribute SpMax2_Bh.i. numeric @attribute SpMax2_Bh.m. numeric @attribute SpMax2_Bh.p. numeric @attribute SpMax2_Bh.s. numeric @attribute SpMax2_Bh.v. numeric @attribute SpMax3_Bh.e. numeric @attribute SpMax3_Bh.i. numeric @attribute SpMax3_Bh.m. numeric @attribute SpMax3_Bh.p. numeric @attribute SpMax3_Bh.s. numeric @attribute SpMax3_Bh.v. numeric @attribute SpMax4_Bh.e. numeric @attribute SpMax4_Bh.i. numeric @attribute SpMax4_Bh.m. numeric @attribute SpMax4_Bh.p. numeric @attribute SpMax4_Bh.s. numeric @attribute SpMax4_Bh.v. numeric @attribute SpMax5_Bh.e. numeric @attribute SpMax5_Bh.i. numeric @attribute SpMax5_Bh.m. numeric @attribute SpMax5_Bh.p. numeric @attribute SpMax5_Bh.s. numeric @attribute SpMax5_Bh.v. numeric @attribute SpMax6_Bh.e. numeric @attribute SpMax6_Bh.i. numeric @attribute SpMax6_Bh.m. numeric @attribute SpMax6_Bh.p. numeric @attribute SpMax6_Bh.s. numeric @attribute SpMax6_Bh.v. numeric @attribute SpMax7_Bh.e. numeric @attribute SpMax7_Bh.i. numeric @attribute SpMax7_Bh.m. numeric @attribute SpMax7_Bh.p. numeric @attribute SpMax7_Bh.s. numeric @attribute SpMax7_Bh.v. numeric @attribute SpMax8_Bh.e. numeric @attribute SpMax8_Bh.i. numeric @attribute SpMax8_Bh.m. numeric @attribute SpMax8_Bh.p. numeric @attribute SpMax8_Bh.s. numeric @attribute SpMax8_Bh.v. numeric @attribute SpMaxA_AEA.bo. numeric @attribute SpMaxA_AEA.dm. numeric @attribute SpMaxA_AEA.ed. numeric @attribute SpMaxA_AEA.ri. numeric @attribute SpMaxA_EA numeric @attribute SpMax_AEA.bo. numeric @attribute SpMaxA_EA.bo. numeric @attribute SpMax_AEA.dm. numeric @attribute SpMaxA_EA.dm. numeric @attribute SpMax_AEA.ed. numeric @attribute SpMaxA_EA.ed. numeric @attribute SpMax_AEA.ri. numeric @attribute SpMaxA_EA.ri. numeric @attribute SpMax_EA numeric @attribute SpMax_EA.bo. numeric @attribute SpMax_EA.dm. numeric @attribute SpMax_EA.ed. numeric @attribute SpMax_EA.ri. numeric @attribute SpMin1_Bh.e. numeric @attribute SpMin1_Bh.i. numeric @attribute SpMin1_Bh.m. numeric @attribute SpMin1_Bh.p. numeric @attribute SpMin1_Bh.s. numeric @attribute SpMin1_Bh.v. numeric @attribute SpMin2_Bh.e. numeric @attribute SpMin2_Bh.i. numeric @attribute SpMin2_Bh.m. numeric @attribute SpMin2_Bh.p. numeric @attribute SpMin2_Bh.s. numeric @attribute SpMin2_Bh.v. numeric @attribute SpMin3_Bh.e. numeric @attribute SpMin3_Bh.i. numeric @attribute SpMin3_Bh.m. numeric @attribute SpMin3_Bh.p. numeric @attribute SpMin3_Bh.s. numeric @attribute SpMin3_Bh.v. numeric @attribute SpMin4_Bh.e. numeric @attribute SpMin4_Bh.i. numeric @attribute SpMin4_Bh.m. numeric @attribute SpMin4_Bh.p. numeric @attribute SpMin4_Bh.s. numeric @attribute SpMin4_Bh.v. numeric @attribute SpMin5_Bh.e. numeric @attribute SpMin5_Bh.i. numeric @attribute SpMin5_Bh.m. numeric @attribute SpMin5_Bh.p. numeric @attribute SpMin5_Bh.s. numeric @attribute SpMin5_Bh.v. numeric @attribute SpMin6_Bh.e. numeric @attribute SpMin6_Bh.i. numeric @attribute SpMin6_Bh.m. numeric @attribute SpMin6_Bh.p. numeric @attribute SpMin6_Bh.s. numeric @attribute SpMin6_Bh.v. numeric @attribute SpMin7_Bh.e. numeric @attribute SpMin7_Bh.i. numeric @attribute SpMin7_Bh.m. numeric @attribute SpMin7_Bh.p. numeric @attribute SpMin7_Bh.s. numeric @attribute SpMin7_Bh.v. numeric @attribute SpMin8_Bh.e. numeric @attribute SpMin8_Bh.i. numeric @attribute SpMin8_Bh.m. numeric @attribute SpMin8_Bh.p. numeric @attribute SpMin8_Bh.s. numeric @attribute SpMin8_Bh.v. numeric @attribute SRW02 numeric @attribute SRW04 numeric @attribute SRW06 numeric @attribute SRW08 numeric @attribute SRW10 numeric @attribute SsCH3 numeric @attribute SsNH2 numeric @attribute SsOH numeric @attribute SssCH2 numeric @attribute SssNH numeric @attribute SssO numeric @attribute SsssCH numeric @attribute SsssN numeric @attribute SssssN. numeric @attribute Sv numeric @attribute TIC0 numeric @attribute TIC1 numeric @attribute TIC2 numeric @attribute TIC3 numeric @attribute TIC4 numeric @attribute TIC5 numeric @attribute TIE numeric @attribute TPC numeric @attribute TPSA.NO. numeric @attribute TPSA.Tot. numeric @attribute TRS numeric @attribute TWC numeric @attribute Uc numeric @attribute Ui numeric @attribute Uindex numeric @attribute UNIP numeric @attribute VAR numeric @attribute Vindex numeric @attribute VvdwMG numeric @attribute VvdwZAZ numeric @attribute Vx numeric @attribute Wap numeric @attribute X0 numeric @attribute X0A numeric @attribute X0Av numeric @attribute X0sol numeric @attribute X0v numeric @attribute X1 numeric @attribute X1A numeric @attribute X1Av numeric @attribute X1Kup numeric @attribute X1Mad numeric @attribute X1MulPer numeric @attribute X1Per numeric @attribute X1sol numeric @attribute X1v numeric @attribute X2 numeric @attribute X2A numeric @attribute X2Av numeric @attribute X2sol numeric @attribute X2v numeric @attribute X3 numeric @attribute X3A numeric @attribute X3Av numeric @attribute X3sol numeric @attribute X3v numeric @attribute X4 numeric @attribute X4A numeric @attribute X4Av numeric @attribute X4sol numeric @attribute X4v numeric @attribute X5 numeric @attribute X5A numeric @attribute X5Av numeric @attribute X5sol numeric @attribute X5v numeric @attribute Xindex numeric @attribute XMOD numeric @attribute Xt numeric @attribute Xu numeric @attribute Yindex numeric @attribute ZM1 numeric @attribute ZM1Kup numeric @attribute ZM1Mad numeric @attribute ZM1MulPer numeric @attribute ZM1Per numeric @attribute ZM1V numeric @attribute ZM2 numeric @attribute ZM2Kup numeric @attribute ZM2Mad numeric @attribute ZM2MulPer numeric @attribute ZM2Per numeric @attribute ZM2V numeric @attribute pXC50 numeric @data {1 1.568,2 18.833,3 3.319,4 11.018,5 135.856,6 7.563,7 0.447,8 4.258,9 4.367,10 3.808,11 3.764,12 5.459,13 3.755,14 4.752,15 4.905,16 4.113,17 4.119,18 6.017,19 4.078,20 5.024,21 5.227,22 4.14,23 4.245,24 6.174,25 4.173,26 5.087,27 5.315,28 4.052,29 4.182,30 6.172,31 4.103,32 5.027,33 5.258,34 4.045,35 4.091,36 6.268,37 4.021,38 4.927,39 5.139,40 3.955,41 4.009,42 6.198,43 3.943,44 4.902,45 5.131,46 3.788,47 3.972,48 6,49 3.884,50 4.777,51 4.999,52 3.748,53 3.977,54 5.779,55 3.871,56 0.168,57 0.893,58 12.961,59 5.94,60 20.554,61 7.355,62 0.561,63 1.38,64 23.357,65 9.443,66 60.27,67 12.364,68 0.565,69 1.688,70 33.477,71 12.398,72 94.337,73 16.714,74 0.671,75 1.718,76 37.7,77 12.311,78 99.286,79 16.9,80 0.882,81 1.569,82 36.229,83 11.665,84 128.068,85 16.081,86 0.769,87 1.404,88 32.171,89 10.727,90 125.242,91 14.338,92 0.812,93 1.351,94 32.56,95 10.314,96 113.199,97 13.746,98 0.422,99 1.273,100 26.943,101 10.19,102 72.053,103 13.776,104 37,105 49,106 0.248,107 0.593,108 0.76,109 0.853,110 0.895,111 0.905,112 3.614,113 0.911,114 -3.88,115 -3.84,116 -3.64,117 41.5,119 2,121 4,123 2,124 11,125 4,126 1,128 2,129 1,134 1,137 17,138 2,139 5,140 3,141 5,142 17,144 6,146 1,147 9,148 12,151 8,152 2,153 8,155 7,158 2,159 10,161 3,163 4,164 1,165 7,168 8,171 1,172 2,173 2,175 7,176 1,178 5,179 2,180 3,181 10,182 1,183 3,184 3,185 14,186 4,187 1,188 1,189 2,190 1,191 16,192 2808,193 24.173,194 24.173,195 24.173,196 24.173,197 24.173,198 21.565,199 27.211,200 14.846,201 24.477,202 18.765,203 18.765,204 18.765,205 18.765,206 18.765,207 14.717,208 31.335,209 7.109,210 19.175,211 4.454,212 2.276,213 1.224,214 0.639,215 0.369,216 0.308,217 4.299,218 1418,219 5.05,220 387.67,221 207.123,222 3.194,223 44.217,224 0.5,225 1,226 0.5,227 0.83,228 0.5,229 0.74,230 79.5,231 678,232 4.498,233 4.207,234 6.513,235 4.031,236 3.042,237 4.432,238 2.204,239 10.232,240 3.01,241 4.043,242 3.663,243 5.874,244 3.7,245 2.718,246 3.638,247 1.971,248 7.941,249 2.659,250 3.971,251 3.474,252 5.5,253 3.657,254 2.667,255 3.23,256 1.437,257 7.411,258 2.641,259 3.722,260 3.087,261 5.332,262 3.357,263 2.401,264 3.029,265 0.814,266 6.781,267 2.276,268 3.573,269 3.034,270 5.136,271 3.19,272 2.192,273 2.788,274 0.657,275 6.361,276 2.164,277 3.491,278 2.873,279 4.82,280 3.171,281 2.184,282 2.75,283 0.466,284 5.327,285 2.149,286 3.335,287 2.578,288 4.662,289 2.881,290 1.901,291 2.589,292 0.141,293 5.167,294 1.848,295 3.118,296 2.139,297 4.131,298 2.75,299 1.762,300 2.427,302 3.779,303 1.736,304 2.866,305 1.903,306 4.045,307 2.618,308 1.618,309 1.9,311 3.758,312 1.618,313 2.767,314 1.618,315 3.701,316 2.38,317 1.4,318 1.858,320 3.167,321 1.361,322 2.608,323 1.526,324 3.592,325 2.269,326 1.27,327 1.564,329 2.828,330 1.269,331 2.5,332 1.362,333 3.414,334 2,335 1,336 1.5,337 2.275,338 1,339 2.35,340 1.278,341 3.361,342 1.956,343 0.991,344 1.283,345 2.195,346 0.952,347 2.239,348 1.097,349 3.233,350 1.89,351 0.912,352 1.073,353 2.062,354 0.889,355 2.002,356 1.022,357 3.075,358 1.581,359 0.641,360 0.748,361 1.456,362 0.594,363 16.7,364 0.464,365 0.753,366 0.021,367 44.75,368 1.243,369 22.5,370 0.625,371 22.25,372 0.618,373 29.006,374 0.806,375 39.7,376 0.611,377 37.863,378 1.052,379 9.491,380 0.264,381 7.928,382 0.22,383 0.1,385 0.263,386 0.768,387 1.198,388 0.806,389 1.048,390 0.693,391 0.951,392 0.595,393 1.108,394 0.921,395 1.082,396 0.464,397 1.068,398 0.821,399 1.141,400 0.97,401 1.094,402 0.733,403 1.066,404 1.071,405 1.074,406 1.057,407 1.023,408 0.962,409 1.026,410 0.904,411 0.911,412 0.921,413 0.933,414 0.786,415 0.926,416 1.038,417 1.044,418 1.014,419 1.05,420 1.015,421 1.032,422 1.284,423 0.775,424 1.136,425 0.808,426 1.245,427 0.919,428 0.829,429 1.037,430 0.998,431 1.047,432 0.829,433 1.065,434 6.5,435 0.165,436 3.556,437 1.438,438 1.498,439 0.833,440 0.447,441 0.354,442 0.238,443 0.222,444 24982,445 78848,446 2.01,447 44.6,448 21,449 4,451 4,452 1.763,453 1.895,454 4.132,455 1.495,456 101.926,457 1.568,458 3.746,459 4.798,460 5.384,461 5.653,462 5.715,463 3.621,464 4.274,465 5.141,466 4.399,467 2771.29,468 8.973,469 52332.4,470 391.454,471 1.33,472 5.106,473 0.171,474 0.005,475 0.073,476 0.029,477 0.035,478 0.02,479 0.012,480 0.011,481 0.007,482 0.007,483 0.369,484 0.17,485 0.75,486 2.119,487 207.385,488 -0.032,489 0.003,490 0.009,491 0.042,492 -0.073,493 0.034,494 0.19,495 0.028,496 -0.046,497 -0.044,498 0.16,499 -0.088,500 -0.013,501 -0.114,502 -0.033,503 -0.082,504 0.032,505 -0.065,506 -0.131,507 -0.081,508 -0.065,509 -0.063,510 -0.093,511 -0.048,512 0.107,513 0.058,514 0.094,515 0.02,516 0.141,517 0.05,518 0.046,519 -0.084,520 -0.006,521 -0.077,522 0.074,523 -0.057,524 -0.166,525 0.171,526 -0.106,527 0.147,528 -0.172,529 0.051,530 -0.069,531 -0.068,532 -0.052,533 -0.021,534 -0.086,535 -0.034,536 2.913,537 5.255,538 0.444,539 56.444,540 1.012,541 1.125,542 2.65,543 7.025,544 0.656,545 3.664,546 3.912,547 4.078,548 4.234,549 4.431,550 4.369,551 4.382,552 4.454,553 4.5,554 4.431,555 11.09,556 0.634,557 491.59,558 3.664,559 5.165,560 5.964,561 6.792,562 7.61,563 8.444,564 9.27,565 10.107,566 10.94,567 11.78,568 4.6,569 1,572 2,574 2,575 11,576 3,577 17,578 1,579 65,580 21,581 3,582 38,583 67,584 27,585 16,586 5,587 11,588 4,589 3,590 4,592 2,593 21,594 6,595 4,596 3,597 2,598 3,599 29,600 9,601 4,602 9,603 3,607 0.667,608 6,609 3,610 1,613 2,614 1,615 1,616 2,617 2,619 36,621 2,622 6,623 2,624 1,626 1,628 9.2,629 1,630 3,631 1,632 19,633 11.1,634 8.167,635 3.712,636 3.561,637 1.463,638 0.926,639 10.609,640 11.246,641 3.942,642 4.454,643 4.947,644 5.436,645 5.98,646 6.085,647 6.352,648 6.666,649 6.942,650 6.647,651 1,652 49,653 13.308,655 5.531,656 0.026,657 8.051,658 24.745,660 19.413,663 2.551,664 91.833,666 294.278,667 165.821,668 36.022,669 171.924,670 165.821,671 466.201,672 36.022,674 33.989,675 184.008,676 123.733,677 25.274,678 6.763,679 294.278,680 294.278,681 201.842,682 171.924,683 247.193,684 176.202,685 42.806,686 52,687 130.89,688 18.952,689 294.278,690 207.945,691 165.821,692 294.278,693 42.629,694 123.191,695 36.022,696 171.924,697 294.278,698 207.945,699 165.821,700 0.564,701 0.309,702 0.154,703 0.088,704 18,705 9,706 0.194,707 13,708 1,709 1.125,710 4.957,711 294.567,712 0.125,713 16,714 180.117,715 27.049,716 14.12,717 9.213,718 1.985,719 207.945,720 21.23,721 2.64,722 121.511,723 668.043,724 50.5,725 34.11,726 1.498,727 -2.525,728 65.756,729 73.149,730 0.26,731 0.622,732 0.797,733 0.894,734 0.939,735 0.949,736 5.137,737 1.762,738 5.905,739 5.167,740 4.595,741 5.142,742 3.138,743 6.608,744 4.555,745 6.307,746 1.618,747 7.399,748 3.779,749 4.007,750 4.82,751 2.2,752 7.322,753 3.964,754 7.577,755 1.4,756 8.993,757 3.758,758 6.084,759 7.26,760 4.194,761 10.368,762 6.007,763 8.881,764 1.27,765 10.648,766 3.167,767 6.312,768 7.792,769 4.009,770 11.965,771 6.232,772 10.218,773 1,774 12.345,775 2.828,776 7.833,777 9.705,778 5.474,779 14.522,780 7.727,781 11.578,782 0.991,783 14.071,784 2.275,785 8.465,786 10.68,787 5.675,788 16.512,789 8.356,790 12.958,791 0.912,792 15.821,793 2.195,794 9.74,795 12.36,796 6.859,797 18.905,798 9.611,799 3.042,800 0.641,801 17.589,802 2.062,803 10.587,804 13.579,805 7.281,806 21.075,807 10.454,808 2.718,809 10.232,810 19.371,811 1.456,812 11.748,813 15.149,814 8.303,815 23.415,816 11.6,817 2.667,818 7.941,819 21.166,820 4.432,821 12.71,822 16.499,823 8.861,824 25.668,825 12.556,826 2.401,827 7.411,828 22.972,829 3.638,830 13.822,831 18.019,832 9.787,833 27.993,834 13.657,835 2.192,836 6.781,837 24.786,838 3.23,839 14.844,840 19.437,841 10.428,842 30.283,843 14.672,844 2.184,845 6.361,846 26.608,847 3.029,848 15.938,849 20.936,850 11.296,851 32.605,852 15.756,853 1.901,854 5.327,855 28.436,856 2.788,857 16.993,858 22.388,859 11.99,860 34.913,861 16.803,862 24378,863 43463,864 25.137,865 42.642,866 55.315,867 58.389,868 55.779,869 54.556,870 54.54,871 71.151,872 15.377,873 143.926,874 53.459,875 5.445,876 6.207,877 6.339,878 5.106,879 5.042,880 7.432,881 3.951,882 17.06,883 5.01,884 19.534,885 1.456,886 1.537,887 1.468,888 1.436,889 1.435,890 1.872,891 0.405,892 3.788,893 1.407,894 4.089,895 4.111,896 4.043,897 4.042,898 7.477,899 4.039,900 3.947,901 3.979,902 3.877,903 3.881,904 7.435,905 3.876,906 3.782,907 3.826,908 3.709,909 3.604,910 7.429,911 3.617,912 3.645,913 3.687,914 3.527,915 3.485,916 6.465,917 3.487,918 3.543,919 3.575,920 3.476,921 3.4,922 6.351,923 3.398,924 3.441,925 3.493,926 3.339,927 3.241,928 4.908,929 3.259,930 3.374,931 3.407,932 3.29,933 3.105,934 4.756,935 3.142,936 3.225,937 3.265,938 3.118,939 3.003,940 4.406,941 3.024,942 0.118,943 0.111,944 0.171,945 0.106,946 0.08,947 4.498,948 0.117,949 4.207,950 0.058,951 6.513,952 0.269,953 4.031,954 0.079,955 3.042,956 4.432,957 2.204,958 10.232,959 3.01,960 2.07,961 2.05,962 2.151,963 2.132,964 1.299,965 2.139,966 1.933,967 1.906,968 2.056,969 2.028,970 1.284,971 2.039,972 1.723,973 1.67,974 1.952,975 1.926,976 1.194,977 1.931,978 1.597,979 1.565,980 1.741,981 1.799,982 0.882,983 1.781,984 1.497,985 1.458,986 1.671,987 1.691,988 0.747,989 1.669,990 1.389,991 1.336,992 1.627,993 1.617,994 0.701,995 1.62,996 1.254,997 1.209,998 1.479,999 1.536,1000 0.66,1001 1.517,1002 1.142,1003 1.094,1004 1.351,1005 1.412,1006 0.433,1007 1.388,1008 4.344,1009 5.609,1010 7.054,1011 8.584,1012 10.165,1015 18.053,1016 2.894,1017 6.084,1018 5.362,1020 0.503,1022 41.201,1023 101.926,1024 243.52,1025 311.89,1026 349.944,1027 367.454,1028 371.454,1029 97.024,1030 7.685,1031 128.2,1032 128.2,1033 18,1034 12.347,1035 4.459,1036 3.755,1037 74.75,1038 246,1039 224,1040 0.143,1041 256.815,1042 459.94,1043 618.389,1044 30082,1045 25.753,1046 0.715,1047 0.548,1048 25.753,1049 19.723,1050 17.419,1051 0.458,1052 0.304,1053 11.367,1054 16.698,1055 11.169,1056 9.297,1057 17.419,1058 11.536,1059 15.122,1060 0.309,1061 0.165,1062 15.122,1063 8.061,1064 11.655,1065 0.201,1066 0.092,1067 11.655,1068 5.345,1069 8.746,1070 0.129,1071 0.051,1072 8.746,1073 3.466,1074 7.211,1075 0.087,1076 0.028,1077 7.211,1078 2.352,1079 0.243,1080 109.875,1081 0.199,1082 34.799,1083 0.348,1084 174,1085 591.552,1086 194.358,1087 562.996,1088 736.43,1089 520,1090 194,1091 513.702,1092 211.733,1093 516.417,1094 739.84,1095 483,1096 5} {0 CHEMBL2164243,1 1.685,2 5.727,3 -0.691,4 0.477,5 38.851,6 6.965,8 3.201,9 3.341,10 2.632,11 2.472,12 4.446,13 2.486,14 3.691,15 3.921,16 2.867,17 2.707,18 5.041,19 2.696,20 3.857,21 4.072,22 2.693,23 2.778,24 5.105,25 2.726,26 3.876,27 4.159,28 2.629,29 2.661,30 5.053,31 2.599,32 3.564,33 3.751,34 2.544,35 2.422,36 5.319,37 2.382,38 3.433,39 3.729,40 2.011,41 2.29,42 4.445,43 2.118,44 3.202,45 3.515,46 1.949,47 1.977,48 4.357,49 1.878,50 2.884,51 3.042,52 0.921,53 1.345,54 4.419,55 1.331,56 0.113,57 0.264,58 5.307,59 1.622,60 13.044,61 2.51,62 0.329,63 0.328,64 9.556,65 1.995,66 43.493,67 3.614,68 0.426,69 0.33,70 11.621,71 2.31,72 58.22,73 4.015,74 0.399,75 0.272,76 12.165,77 2.199,78 59.359,79 4.115,80 0.497,81 0.215,82 8.916,83 1.718,84 87.989,85 2.896,86 0.277,87 0.179,88 7.678,89 1.721,90 31.595,91 2.991,92 0.149,93 0.111,94 6.001,95 1.187,96 16.941,97 2.242,98 0.309,99 0.042,100 4.893,101 0.438,102 55.581,103 0.815,104 37,105 12,106 0.368,107 0.615,108 0.745,109 0.783,110 0.783,111 0.783,112 2.513,113 0.962,114 -1.28,115 -1.37,116 -1.43,117 26.1,119 2,120 2,128 2,134 1,137 1,139 2,140 2,141 2,143 1,144 3,147 2,151 1,152 1,154 1,158 1,160 1,161 2,162 1,167 1,171 1,192 104,193 6.552,194 6.552,195 6.552,196 6.552,197 6.552,198 6.19,199 8.992,200 4.123,201 6.616,202 4.933,203 4.933,204 4.933,205 4.933,206 4.933,207 4.32,208 9.579,209 1.99,210 5.017,211 2.838,212 1.705,213 1.109,214 0.935,215 0.935,216 0.935,217 3.06,218 109,219 3.464,222 1.025,223 17.881,224 0.83,225 1,226 1,227 1,228 1,229 0.95,230 26,231 63,232 3.743,233 3.643,234 5.217,235 3.511,236 2.516,237 2.912,238 2.341,239 6.585,240 2.495,241 3.493,242 3.527,243 4.646,244 3.173,245 2.18,246 2.642,247 1.886,248 5.141,249 2.14,250 2.959,251 2.338,252 4.242,253 2.78,254 1.795,255 1.956,256 0.4,257 4.181,258 1.748,259 1.727,260 1.305,261 2.752,262 1.505,263 0.495,264 0.548,266 1.057,267 0.492,268 0.824,269 0.62,270 2,271 0.539,272 -0.466,273 -0.522,275 -1.123,276 -0.461,277 0.529,278 0.33,279 1.478,280 0.104,281 -1,282 -1,283 -0.4,284 -2,285 -0.9,286 0.145,287 -0.17,288 1,289 -0.06,290 -1,291 -1.143,292 -0.499,293 -2,294 -0.928,296 -0.6,297 1,298 -0.1,299 -1,300 -1.505,301 -0.757,302 -2.518,303 -1.102,304 -0.538,305 -1.212,306 1,307 -0.634,308 -1.629,309 -1.889,310 -1.386,311 -4.135,312 -1.62,313 -0.882,314 -1.56,315 0.665,316 -0.918,317 -1.892,318 -2,319 -1.584,320 -5.187,321 -1.864,363 4.8,364 0.436,365 0.394,366 0.036,367 9.5,368 0.864,369 3,370 0.273,371 6.5,372 0.591,373 7.36,374 0.669,375 14.4,376 0.626,377 6.784,378 0.617,379 2.245,380 0.204,381 2.775,382 0.252,383 0.417,385 0.292,386 0.791,387 1.851,388 0.902,389 1.645,390 0.703,391 1.329,392 0.613,393 1.278,394 0.793,395 1.076,396 0.431,397 0.957,398 1.299,399 1.112,400 1.36,401 1.145,402 1.301,403 1.248,404 1.021,405 0.818,406 0.798,407 0.771,408 1.002,409 0.714,410 0.99,411 1.004,412 1.212,413 1.109,414 1.162,415 1.242,416 0.538,417 0.744,418 0.819,419 0.918,420 0.678,421 0.973,422 0.573,423 0.909,424 0.476,425 1.027,426 0.497,427 0.741,428 3.539,429 0.305,430 2.503,431 0.413,432 3.663,433 1.172,434 3.5,436 0.889,437 0.625,438 0.4,439 0.111,440 0.163,444 526,445 2376,446 1.63,447 52.2,448 6,449 2,450 4,452 1.419,453 1.467,454 2.616,455 0.836,456 38.758,457 1.685,458 2.818,459 3.414,460 3.588,461 3.588,462 3.588,463 1.936,464 2.914,465 3.43,466 2.71,467 149.026,468 5.563,469 1023.63,470 104.042,471 1.539,472 3.309,473 0.35,475 0.074,476 0.069,477 0.044,478 0.016,479 0.041,483 0.595,484 0.5,485 1,486 1.859,487 38.386,488 -0.076,489 -0.274,490 -0.03,491 -0.227,492 -0.09,493 -0.134,494 0.149,495 -0.1,496 0.128,497 -0.041,498 0.221,499 0.049,500 -0.3,501 -0.027,502 -0.404,503 -0.157,504 -0.294,505 -0.297,506 -0.113,507 -0.022,508 0.159,509 0.094,510 -0.073,511 0.212,512 0.261,513 -0.025,514 -0.2,515 -0.149,516 0.247,517 -0.319,518 0.197,519 0.097,520 0.083,521 0.016,522 0.012,523 -0.002,524 0.152,525 -0.181,526 0.438,527 -0.135,528 0.19,529 0.228,530 -1.243,531 0.09,532 -1.257,533 0.114,534 -1.154,535 -0.566,536 2.626,537 3.742,539 5.851,540 1.026,541 1.161,542 0.053,543 0.003,544 0.573,545 2.398,546 2.565,547 2.303,548 2.303,549 2.079,550 1.609,551 1.609,555 3.809,556 0.557,557 160.2,558 2.398,559 3.807,560 4.466,561 5.242,562 5.927,563 6.701,564 7.399,565 8.168,566 8.875,567 9.639,568 8.7,570 1,572 1,579 23,580 2,582 10,583 22,584 6,592 2,593 2,594 4,595 2,596 2,598 2,599 12,600 5,601 2,602 5,603 2,605 1,608 3,616 1,618 2,619 11,621 1,622 2,623 1,626 1,628 13,630 2,632 7.5,633 4.483,634 2.583,635 1.146,636 0.273,637 1.065,638 0.798,639 4.615,640 4.477,641 2.565,642 2.833,643 2.565,644 2.639,645 2.565,646 1.792,647 1.946,651 0.75,652 9,653 4.017,654 -0.011,655 1.5,656 0.026,657 8.667,658 7.1,659 -0.005,660 4.77,661 0.015,663 3.167,664 34.833,665 0.005,666 117.711,667 27.476,668 20.89,669 92.973,670 27.476,671 210.684,672 20.89,673 16.793,674 22.957,676 98.588,677 3.002,679 117.711,680 117.711,681 48.366,682 92.973,683 117.711,684 92.973,686 25.959,687 22.407,689 117.711,690 113.863,691 27.476,692 117.711,693 10.684,694 19.795,695 17.888,696 92.973,697 117.711,698 113.863,699 27.476,700 0.555,701 0.228,702 0.106,703 0.053,704 3,705 3,706 0.182,707 4,710 2.182,711 46.263,714 36.054,715 10.234,716 4.96,717 7.127,719 113.863,722 60.572,723 259.051,724 12,725 20.738,727 -1.24,728 23.604,729 26.701,730 0.373,731 0.623,732 0.755,733 0.793,734 0.793,735 0.793,736 3.714,737 -1,738 4.443,739 -2,740 3.219,741 3.497,742 2.748,743 5.004,744 3.19,745 4.844,746 -1.629,747 5.872,748 -2.518,749 2.944,750 3.434,751 2.591,752 5.533,753 2.896,754 6.071,755 -1.892,756 7.386,757 -4.135,758 4.575,759 5.153,760 3.991,761 8.288,762 4.522,763 7.312,765 8.937,766 -5.187,767 4.875,768 5.707,769 4.379,770 9.403,771 4.807,772 8.569,774 10.507,776 6.138,777 7.031,778 5.454,779 11.777,780 6.063,781 9.835,783 12.09,785 6.701,786 7.843,787 6.078,788 13.184,789 6.617,790 11.107,792 13.681,794 7.8,795 9.012,796 7.018,797 15.369,798 7.708,799 2.516,801 15.28,803 8.507,804 9.946,805 7.754,806 16.956,807 8.409,808 2.18,809 6.585,810 16.885,812 9.522,813 11.049,814 8.637,815 19.027,816 9.414,817 1.795,818 5.141,819 18.496,820 2.912,821 10.314,822 12.042,823 9.429,824 20.727,825 10.201,826 0.495,827 4.181,828 20.111,829 2.642,830 11.282,831 13.115,832 10.289,833 22.728,834 11.16,835 -0.466,836 1.057,837 21.73,838 1.956,839 12.125,840 14.138,841 11.109,842 24.498,843 11.997,844 -1,845 -1.123,846 23.353,847 0.548,848 13.068,849 15.2,850 11.96,851 26.455,852 12.932,853 -1,854 -2,855 24.979,856 -0.522,857 13.941,858 16.238,859 12.793,860 28.269,861 13.8,862 669,863 1478,864 5.375,865 13.182,866 14.245,867 15.05,868 14.514,869 14.019,870 13.973,871 16.118,872 9.253,873 33.927,874 13.75,875 4.625,876 5.203,877 4.553,878 4.429,879 4.408,880 4.912,881 3.925,882 11.773,883 4.359,884 7.849,885 1.424,886 1.505,887 1.451,888 1.402,889 1.397,890 1.612,891 0.925,892 3.393,893 1.375,894 3.755,895 3.81,896 3.665,897 3.539,898 7.475,899 3.558,900 3.529,901 3.603,902 3.409,903 3.243,904 7.428,905 3.265,906 3.227,907 3.242,908 3.12,909 2.91,910 6.351,911 2.962,912 2.874,913 3.009,914 2.499,915 2.618,916 4.384,917 2.57,918 2.69,919 2.765,920 2.481,921 2.275,922 3.777,923 2.325,924 2.212,925 2.348,926 1.92,927 1.742,928 3.467,929 1.745,930 2.03,931 2.087,932 1.8,933 1.455,934 3.382,935 1.51,936 1.912,937 1.982,938 1.543,939 1.282,940 2.567,941 1.366,942 0.374,943 0.364,944 0.522,945 0.351,946 0.252,947 3.743,948 0.291,949 3.643,950 0.234,951 5.217,952 0.659,953 3.511,954 0.249,955 2.516,956 2.912,957 2.341,958 6.585,959 2.495,960 1.662,961 1.617,962 1.865,963 1.915,964 1.104,965 1.897,966 1.457,967 1.363,968 1.755,969 1.75,970 0.822,971 1.751,972 1.06,973 1.042,974 1.417,975 1.416,976 0.469,977 1.36,978 0.934,979 0.804,980 1.25,981 1.239,982 0.26,983 1.308,984 0.539,985 0.468,986 0.884,987 1.002,989 0.977,990 0.149,992 0.701,993 0.636,995 0.671,998 0.168,999 0.381,1001 0.311,1004 0.152,1005 0.306,1007 0.257,1008 3.045,1009 4.234,1010 5.541,1011 6.905,1012 8.302,1013 3.331,1015 8.203,1016 -0.104,1017 2.429,1020 1.476,1022 12.821,1023 38.758,1024 64.823,1025 78.532,1026 82.532,1027 82.532,1028 82.532,1029 32.547,1030 4.205,1031 69.64,1032 69.64,1034 10.282,1035 1.585,1036 1.585,1037 32.009,1038 24,1039 18,1040 0.688,1041 88.047,1042 155.45,1043 206.595,1044 184,1045 8.853,1046 0.805,1047 0.602,1048 8.853,1049 6.625,1050 5.02,1051 0.502,1052 0.321,1053 3.111,1054 4.612,1055 2.966,1056 2.537,1057 5.02,1058 3.207,1059 4.706,1060 0.392,1061 0.194,1062 4.706,1063 2.323,1064 2.111,1065 0.235,1066 0.102,1067 2.111,1068 0.914,1069 1.54,1070 0.171,1071 0.058,1072 1.54,1073 0.526,1074 0.873,1075 0.125,1076 0.034,1077 0.873,1078 0.237,1079 1.053,1080 33.04,1081 0.431,1082 11.542,1083 1.895,1084 44,1085 217.599,1086 54.112,1087 199.783,1088 239.6,1089 180,1090 43,1091 149.05,1092 50.982,1093 148.037,1094 199.6,1095 134,1096 6.26} {0 CHEMBL2164244,1 1.606,2 5.833,3 -2.046,4 4.184,5 41.649,6 6.49,8 3.352,9 3.502,10 2.73,11 2.611,12 4.511,13 2.607,14 3.896,15 4.14,16 3.047,17 2.932,18 5.14,19 2.911,20 4.156,21 4.382,22 2.842,23 3.125,24 5.285,25 3.01,26 4.277,27 4.61,28 2.809,29 2.993,30 5.287,31 2.857,32 3.801,33 3.988,34 2.673,35 2.687,36 5.459,37 2.618,38 3.738,39 4.05,40 2.19,41 2.613,42 4.57,43 2.402,44 3.566,45 3.879,46 2.301,47 2.317,48 4.741,49 2.217,50 3.271,51 3.431,52 1.184,53 1.659,54 4.82,55 1.645,56 0.095,57 0.309,58 6.642,59 1.893,60 10.683,61 3.081,62 0.348,63 0.428,64 11.954,65 2.525,66 45.682,67 4.582,68 0.421,69 0.476,70 15.536,71 3.559,72 55.89,73 6.116,74 0.449,75 0.379,76 17.339,77 3.359,78 67.97,79 6.327,80 0.558,81 0.287,82 11.388,83 2.349,84 102.156,85 3.896,86 0.287,87 0.258,88 9.888,89 2.489,90 35.592,91 4.212,92 0.155,93 0.165,94 8.313,95 1.695,96 20.421,97 3.151,98 0.419,99 0.065,100 7.133,101 0.623,102 74.869,103 1.25,104 48,105 15,106 0.334,107 0.551,108 0.671,109 0.702,110 0.702,111 0.702,112 2.59,113 1.047,114 2.05,115 1.79,116 1.4,117 25.9,119 2,120 3,128 2,136 1,137 1,139 2,140 2,141 2,144 2,145 1,147 2,149 1,152 1,154 1,157 1,158 1,161 2,162 1,166 1,170 1,174 1,192 130,193 6.793,194 6.793,195 6.793,196 6.793,197 6.793,198 6.431,199 9.061,200 4.068,201 6.876,202 5.438,203 5.438,204 5.438,205 5.438,206 5.438,207 4.831,208 10.524,209 1.973,210 5.578,211 3.149,212 2.106,213 1.529,214 1.381,215 1.381,216 1.381,217 3.139,218 122,219 3.873,222 1.028,223 18.885,224 0.67,225 0.9,226 1,227 1,228 1,229 0.91,230 28,231 70,232 4.157,233 3.687,234 6.445,235 4.065,236 3.131,237 3.208,238 2.341,239 10.151,240 2.926,241 3.61,242 3.571,243 4.966,244 3.337,245 2.328,246 2.758,247 1.886,248 5.91,249 2.328,250 3.39,251 3.236,252 4.549,253 3.017,254 2,255 2.512,256 0.8,257 4.882,258 2.005,259 1.733,260 1.305,261 3.114,262 1.523,263 0.516,264 0.567,266 1.133,267 0.511,268 0.882,269 0.636,270 2.416,271 0.592,272 -0.425,273 -0.482,275 -1.18,276 -0.425,277 0.532,278 0.362,279 2,280 0.104,281 -1,282 -1,283 -0.4,284 -2,285 -0.9,286 0.146,287 -0.163,288 2,289 -0.06,290 -1,291 -1,292 -0.4,293 -2.533,294 -0.9,296 -0.6,297 1.636,298 -0.1,299 -1,300 -1.144,301 -0.499,302 -3,303 -0.928,305 -0.6,306 1.207,307 -0.1,308 -1,309 -1.506,310 -0.757,311 -3,312 -1.102,313 -0.555,314 -1.226,315 1,316 -0.648,317 -1.646,318 -1.913,319 -1.386,320 -4.337,321 -1.645,322 -0.895,323 -1.588,324 0.668,325 -0.932,326 -1.904,327 -2,328 -1.584,329 -6.025,330 -1.87,363 5.3,364 0.442,365 0.604,366 0.05,367 10.25,368 0.854,369 3,370 0.25,371 7.25,372 0.604,373 8.975,374 0.748,375 16,376 0.593,377 7.841,378 0.653,379 2.369,380 0.197,381 2.941,382 0.245,383 0.472,384 0.075,385 0.189,386 0.797,387 2.035,388 0.969,389 1.732,390 0.704,391 1.417,392 0.67,393 1.177,394 0.801,395 0.912,396 0.379,397 0.844,398 1.147,399 1.316,400 1.444,401 1.414,402 1.127,403 1.488,404 0.786,405 0.662,406 0.596,407 0.63,408 0.783,409 0.563,410 1.226,411 1.077,412 1.373,413 1.192,414 1.459,415 1.34,416 0.446,417 0.81,418 0.787,419 0.97,420 0.598,421 0.989,422 0.643,423 0.959,424 0.48,425 1.048,426 0.577,427 0.741,428 3.99,429 0.314,430 2.603,431 0.412,432 4.169,433 1.164,434 5,436 1.111,437 0.875,438 0.48,439 0.167,440 0.245,444 655,445 2415,446 1.603,447 55.6,448 9,449 2,450 4,452 1.452,453 1.426,454 2.589,455 0.752,456 43.372,457 1.606,458 2.649,459 3.226,460 3.374,461 3.374,462 3.374,463 1.888,464 2.689,465 3.557,466 2.725,467 179.88,468 5.827,469 1322.74,470 128.382,471 1.73,472 3.391,473 0.455,475 0.074,476 0.087,477 0.044,478 0.021,479 0.049,483 0.73,484 0.5,485 1,486 1.792,487 43.365,488 -0.052,489 -0.422,490 -0.015,491 -0.289,492 -0.09,493 -0.166,494 0.116,495 0.045,496 0.165,497 0.121,498 0.242,499 0.173,500 -0.24,501 -0.116,502 -0.486,503 -0.323,504 -0.252,505 -0.458,506 0.016,507 0.049,508 0.315,509 0.182,510 0.032,511 0.328,512 0.154,513 -0.035,514 -0.315,515 -0.168,516 0.149,517 -0.371,518 0.196,519 0.075,520 0.076,521 0.006,522 0.001,523 -0.005,524 0.138,525 -0.202,526 0.421,527 -0.151,528 0.192,529 0.202,530 -1.271,531 0.097,532 -1.262,533 0.094,534 -1.175,535 -0.571,536 2.619,537 3.973,539 6.5,540 1.016,541 1.16,542 -3.278,543 10.747,544 0.568,545 2.485,546 2.773,547 2.398,548 2.485,549 2.197,550 1.792,551 1.946,555 3.914,556 0.541,557 175.24,558 2.485,559 3.97,560 4.635,561 5.485,562 6.172,563 7.022,564 7.721,565 8.568,566 9.275,567 10.12,568 7.4,572 1,573 1,579 27,580 2,582 11,583 26,584 7,592 2,593 2,594 5,595 2,596 2,598 2,599 15,600 4,601 2,602 5,603 2,604 1,606 1,608 3,616 1,618 3,619 12,621 1,622 2,623 1,627 1,628 11.1,630 2,632 8.417,633 5.533,634 2.625,635 1.508,636 0.256,637 1.058,638 0.779,639 4.032,640 4.625,641 2.639,642 2.996,643 2.639,644 2.833,645 2.639,646 1.946,647 2.303,651 0.75,652 10,653 4.408,654 0.006,655 1.684,656 -0.014,657 8.528,658 7.917,659 0.003,660 5.572,661 -0.008,663 3.028,664 36.333,665 0.004,666 153.024,667 35.873,668 17.888,669 92.973,670 35.873,671 245.998,672 17.888,673 25.189,674 22.957,676 98.588,679 153.024,680 153.024,681 53.761,682 92.973,683 153.024,684 92.973,686 22.957,687 30.804,689 153.024,690 110.861,691 35.873,692 153.024,693 10.684,694 25.189,695 17.888,696 92.973,697 153.024,698 110.861,699 35.873,700 0.585,701 0.215,702 0.1,703 0.049,704 5,705 4,706 0.154,707 4,710 2.219,711 55.027,714 38.265,715 11.234,716 4.307,717 8.234,719 110.861,722 60.572,723 299.758,724 13,725 21.057,727 -1.198,728 27.429,729 31.324,730 0.338,731 0.557,732 0.678,733 0.71,734 0.71,735 0.71,736 3.871,737 -1,738 4.762,739 -2.533,740 3.434,741 3.664,742 2.788,743 5.517,744 3.379,745 5.1,746 -1,747 6.315,748 -3,749 3.611,750 3.892,751 2.619,752 6.899,753 3.472,754 6.417,755 -1.646,756 7.984,757 -3,758 5.118,759 5.493,760 3.998,761 9.568,762 4.963,763 7.749,764 -1.904,765 9.714,766 -4.337,767 5.889,768 6.275,769 4.383,770 11.587,771 5.627,772 9.096,774 11.48,775 -6.025,776 7.12,777 7.555,778 5.455,779 14.003,780 6.823,781 10.453,783 13.271,785 8.107,786 8.536,787 6.078,788 16.223,789 7.706,790 11.817,792 15.08,794 9.266,795 9.718,796 7.018,797 18.573,798 8.81,799 3.131,801 16.901,803 10.341,804 10.785,805 7.754,806 20.858,807 9.791,808 2.328,809 10.151,810 18.733,812 11.481,813 11.935,814 8.637,815 23.187,816 10.866,817 2,818 5.91,819 20.572,820 3.208,821 12.593,822 13.043,823 9.429,824 25.493,825 11.894,826 0.516,827 4.882,828 22.417,829 2.758,830 13.73,831 14.187,832 10.289,833 27.815,834 12.961,835 -0.425,836 1.133,837 24.266,838 2.512,839 14.858,840 15.316,841 11.109,842 30.128,843 14.011,844 -1,845 -1.18,846 26.119,847 0.567,848 15.995,849 16.462,850 11.96,851 32.447,852 15.078,853 -1,854 -2,855 27.974,856 -0.482,857 17.13,858 17.603,859 12.793,860 34.764,861 16.138,862 827,863 1658,864 5.663,865 15.324,866 16.325,867 17.328,868 16.329,869 16.031,870 15.949,871 18.09,872 10.053,873 44.15,874 15.54,875 5.053,876 5.275,877 5.777,878 4.997,879 5.034,880 5.208,881 3.925,882 16.176,883 4.796,884 9.029,885 1.484,886 1.575,887 1.484,888 1.457,889 1.45,890 1.645,891 0.914,892 4.014,893 1.413,894 3.843,895 3.928,896 3.74,897 3.581,898 7.475,899 3.607,900 3.634,901 3.68,902 3.516,903 3.406,904 7.428,905 3.419,906 3.249,907 3.254,908 3.177,909 2.923,910 6.351,911 2.984,912 2.874,913 3.009,914 2.499,915 2.618,916 4.453,917 2.57,918 2.874,919 3.009,920 2.499,921 2.618,922 3.786,923 2.57,924 2.686,925 2.758,926 2.48,927 2.269,928 3.467,929 2.32,930 2.197,931 2.338,932 1.888,933 1.73,934 3.467,935 1.726,936 2.022,937 2.079,938 1.796,939 1.44,940 3.374,941 1.497,942 0.378,943 0.335,944 0.586,945 0.37,946 0.285,947 4.157,948 0.292,949 3.687,950 0.213,951 6.445,952 0.923,953 4.065,954 0.266,955 3.131,956 3.208,957 2.341,958 10.151,959 2.926,960 1.73,961 1.658,962 1.955,963 2.033,964 1.135,965 2.013,966 1.58,967 1.515,968 1.821,969 1.813,970 1.054,971 1.812,972 1.064,973 1.052,974 1.417,975 1.426,976 0.469,977 1.362,978 0.934,979 0.804,980 1.417,981 1.239,982 0.469,983 1.308,984 0.934,985 0.804,986 1.247,987 1.239,988 0.259,989 1.308,990 0.531,991 0.462,992 0.876,993 0.996,995 0.969,996 0.143,998 0.699,999 0.628,1001 0.666,1004 0.168,1005 0.375,1007 0.307,1008 3.135,1009 4.419,1010 5.814,1011 7.263,1012 8.746,1013 5.371,1015 8.276,1016 -0.087,1017 2.61,1021 0.304,1022 14.611,1023 43.372,1024 71.521,1025 87.098,1026 91.098,1027 91.098,1028 91.098,1029 42.712,1030 4.369,1031 66.4,1032 66.4,1034 10.715,1035 1.585,1036 1.585,1037 37.158,1038 27,1039 22,1040 0.71,1041 99.103,1042 174.07,1043 233.571,1044 227,1045 9.776,1046 0.815,1047 0.64,1048 9.776,1049 7.678,1050 5.31,1051 0.483,1052 0.349,1053 3.721,1054 4.884,1055 3.532,1056 3.038,1057 5.31,1058 3.839,1059 5.841,1060 0.389,1061 0.246,1062 5.841,1063 3.692,1064 2.198,1065 0.22,1066 0.108,1067 2.198,1068 1.08,1069 1.765,1070 0.16,1071 0.064,1072 1.765,1073 0.701,1074 0.934,1075 0.117,1076 0.039,1077 0.934,1078 0.316,1079 1.083,1080 34.902,1081 0.42,1082 12.467,1083 1.982,1084 52,1085 208.286,1086 62.806,1087 191.792,1088 230.74,1089 172,1090 51,1091 146.608,1092 60.342,1093 145.289,1094 197.14,1095 132,1096 4.456} {0 CHEMBL2164245,1 1.743,2 5.6,3 -1.227,4 1.505,5 33.556,6 7.308,8 3.076,9 3.215,10 2.533,11 2.334,12 4.382,13 2.367,14 3.527,15 3.735,16 2.726,17 2.552,18 4.969,19 2.543,20 3.712,21 3.943,22 2.565,23 2.54,24 5.01,25 2.515,26 3.544,27 3.769,28 2.433,29 2.354,30 4.888,31 2.357,32 3.352,33 3.562,34 2.404,35 2.142,36 5.176,37 2.122,38 3.121,39 3.4,40 1.809,41 1.912,42 4.35,43 1.789,44 2.79,45 3.079,46 1.456,47 1.537,48 3.998,49 1.454,50 2.335,51 2.52,52 0.567,53 0.941,54 3.761,55 0.901,56 0.134,57 0.223,58 4.46,59 1.365,60 17.138,61 2.05,62 0.308,63 0.261,64 7.836,65 1.738,66 45.805,67 3.067,68 0.455,69 0.238,70 10.339,71 1.742,72 71.667,73 3.201,74 0.373,75 0.19,76 8.707,77 1.37,78 60.361,79 2.591,80 0.434,81 0.148,82 7.243,83 1.204,84 75.583,85 2.223,86 0.259,87 0.107,88 5.824,89 1.053,90 33.306,91 1.955,92 0.16,93 0.059,94 4.159,95 0.653,96 23.222,97 1.308,98 0.177,99 0.021,100 2.757,101 0.251,102 31.889,103 0.493,104 28,105 10,106 0.397,107 0.692,108 0.839,109 0.884,110 0.884,111 0.884,112 2.43,113 0.946,114 -0.9,115 -1.01,116 -1.11,117 25,119 2,120 1,128 2,135 1,137 1,139 2,140 2,141 2,144 2,146 1,147 3,152 1,153 1,154 1,158 1,161 2,162 1,164 1,171 1,172 1,192 76,193 6.268,194 6.268,195 6.268,196 6.268,197 6.268,198 5.906,199 6.035,200 4.082,201 6.302,202 4.398,203 4.398,204 4.398,205 4.398,206 4.398,207 3.775,208 4.309,209 1.88,210 4.429,211 2.579,212 1.283,213 0.638,214 0.438,215 0.438,216 0.438,217 2.97,218 96,219 3.162,222 1,223 17.097,224 0.83,225 1,226 1,227 1,228 1,229 0.95,230 24,231 56,232 3.702,233 3.639,234 5.064,235 3.437,236 2.424,237 2.879,238 2.341,239 6.16,240 2.439,241 3.466,242 3.518,243 4.574,244 3.102,245 2.093,246 2.62,247 1.886,248 4.958,249 2.083,250 2.155,251 1.441,252 3.135,253 2.069,254 1.095,255 1.128,257 1.896,258 1.061,259 1.701,260 1.304,261 2.389,262 1.442,263 0.423,264 0.48,266 0.788,267 0.423,268 0.68,269 0.584,270 1.663,271 0.405,272 -0.571,273 -0.62,275 -0.869,276 -0.549,277 0.518,278 0.223,279 1.276,280 0.104,281 -1,282 -1.14,283 -0.499,284 -2,285 -0.927,286 0.14,287 -0.198,288 1,289 -0.06,290 -1,291 -1.502,292 -0.757,293 -2.487,294 -1.102,295 -0.501,296 -1.176,297 0.672,298 -0.602,299 -1.59,300 -1.845,301 -1.386,302 -3.652,303 -1.572,304 -0.861,305 -1.515,306 0.226,307 -0.897,308 -1.874,309 -2,310 -1.584,311 -4.794,312 -1.856,363 4.3,364 0.43,365 0.25,366 0.025,367 8.75,368 0.875,369 3,370 0.3,371 5.75,372 0.575,373 6.095,374 0.61,375 13.1,376 0.655,377 5.889,378 0.589,379 2.091,380 0.209,381 2.573,382 0.257,383 0.349,385 0.233,386 0.841,387 1.606,388 0.89,389 1.499,390 0.718,391 1.215,392 0.565,393 1.439,394 0.833,395 1.352,396 0.479,397 1.168,398 1.251,399 0.919,400 1.144,401 0.891,402 1.286,403 0.971,404 1.394,405 1.008,406 1.133,407 0.934,408 1.374,409 0.936,410 0.649,411 0.904,412 0.919,413 0.973,414 0.748,415 1.047,416 0.677,417 0.657,418 0.866,419 0.829,420 0.797,421 0.932,422 0.947,423 0.739,424 0.779,425 0.866,426 0.872,427 0.774,428 2.793,429 0.267,430 2.118,431 0.372,432 2.85,433 1.049,434 2.5,436 0.889,437 0.375,438 0.32,439 0.111,440 0.082,444 401,445 2075,446 1.644,447 50,448 3,449 3,450 4,452 1.382,453 1.5,454 2.597,455 1.882,456 34.855,457 1.743,458 3.039,459 3.684,460 3.884,461 3.884,462 3.884,463 1.971,464 2.922,465 3.291,466 2.655,467 119.469,468 5.275,469 754.332,470 86.439,471 1.522,472 3.197,473 0.278,475 0.089,476 0.047,477 0.046,478 0.019,479 0.027,483 0.505,484 0.5,485 1,486 1.922,487 33.315,488 -0.133,489 -0.021,490 -0.063,491 -0.094,492 -0.1,493 -0.058,494 0.173,495 -0.216,496 0.044,497 -0.23,498 0.194,499 -0.13,500 -0.258,501 -0.008,502 -0.184,503 0.008,504 -0.259,505 -0.055,506 -0.349,507 -0.128,508 -0.159,509 -0.045,510 -0.277,511 -0.026,512 0.449,513 -0.03,514 0.072,515 -0.101,516 0.416,517 -0.152,518 0.177,519 0.11,520 0.083,521 0.02,522 0.013,523 -0.003,524 -0.053,525 -0.095,526 0.192,527 -0.057,528 -0.012,529 0.15,530 -1.001,531 0.085,532 -0.966,533 0.165,534 -0.938,535 -0.39,536 2.633,537 3.511,539 5.2,540 1.036,541 1.164,542 -0.325,543 0.106,544 0.571,545 2.303,546 2.398,547 2.197,548 2.079,549 1.946,550 1.386,551 1.099,555 3.618,556 0.565,557 146.17,558 2.303,559 3.664,560 4.317,561 5.056,562 5.74,563 6.479,564 7.175,565 7.91,566 8.615,567 9.345,568 10,569 1,572 1,579 20,580 2,582 9,583 19,584 5,592 2,593 2,594 3,595 2,596 2,598 2,599 10,600 5,601 3,602 5,603 2,605 1,608 3,616 1,618 1,619 10,621 1,622 2,623 2,628 15,630 2,632 6.667,633 3.533,634 2.5,635 1.008,636 0.292,637 1.073,638 0.796,639 4.666,640 4.317,641 2.485,642 2.708,643 2.485,644 2.398,645 2.485,646 1.609,647 1.386,651 0.75,652 8,653 3.634,654 0.02,655 1.35,656 -0.047,657 8.833,658 6.318,659 0.01,660 4.17,661 -0.028,662 0.001,663 3.333,664 33.333,665 0.007,666 82.398,667 19.08,668 35.776,669 92.973,670 19.08,671 175.371,672 35.776,673 8.396,674 22.957,675 17.888,676 98.588,679 82.398,680 82.398,681 54.856,682 92.973,683 82.398,684 92.973,686 40.846,687 14.011,689 82.398,690 128.75,691 19.08,692 82.398,693 10.684,694 8.396,695 35.776,696 92.973,697 82.398,698 128.75,699 19.08,700 0.528,701 0.241,702 0.106,703 0.056,704 2,705 2,706 0.211,707 4,710 2.108,711 38.911,714 33.219,715 9.234,716 5.053,717 6.234,719 128.75,722 78.46,723 230.227,724 11,725 20.418,727 -1.281,728 20.72,729 23.286,730 0.403,731 0.703,732 0.852,733 0.899,734 0.899,735 0.899,736 3.584,737 -1.59,738 4.234,739 -2.487,740 3.045,741 3.367,742 2.727,743 4.745,744 3.039,745 4.682,746 -1.874,747 5.631,748 -3.652,749 2.565,750 3.219,751 2.591,752 5.198,753 2.583,754 5.897,756 7.12,757 -4.794,758 4.344,759 5.03,760 3.99,761 7.944,762 4.341,763 7.136,765 8.654,767 4.511,768 5.565,769 4.379,770 9.057,771 4.542,772 8.397,774 10.21,776 5.861,777 6.921,778 5.454,779 11.343,780 5.866,781 9.668,783 11.781,785 6.33,786 7.727,787 6.078,788 12.744,789 6.369,790 10.945,792 13.361,794 7.471,795 8.904,796 7.018,797 14.827,798 7.489,799 2.424,801 14.946,803 8.104,804 9.831,805 7.754,806 16.39,807 8.152,808 2.093,809 6.16,810 16.536,812 9.132,813 10.931,814 8.637,815 18.363,816 9.165,817 1.095,818 4.958,819 18.13,820 2.879,821 9.861,822 11.915,823 9.429,824 20.023,825 9.918,826 0.423,827 1.896,828 19.727,829 2.62,830 10.826,831 12.982,832 10.289,833 21.934,834 10.874,835 -0.571,836 0.788,837 21.326,838 1.128,839 11.612,840 13.994,841 11.109,842 23.654,843 11.681,844 -1,845 -0.869,846 22.926,847 0.48,848 12.541,849 15.047,850 11.96,851 25.528,852 12.606,853 -1,854 -2,855 24.529,856 -0.62,857 13.364,858 16.074,859 12.793,860 27.285,861 13.445,862 519,863 1226,864 4.97,865 11.42,866 12.271,867 12.853,868 12.547,869 12.1,870 12.07,871 14.214,872 8.453,873 27.604,874 12.012,875 4.563,876 5.153,877 4.838,878 4.334,879 4.298,880 4.879,881 3.925,882 10.953,883 4.294,884 6.564,885 1.363,886 1.428,887 1.394,888 1.344,889 1.341,890 1.579,891 0.939,892 3.067,893 1.335,894 3.74,895 3.786,896 3.65,897 3.532,898 7.475,899 3.55,900 3.453,901 3.532,902 3.351,903 3.118,904 7.428,905 3.158,906 3.182,907 3.216,908 3.023,909 2.875,910 6.351,911 2.906,912 2.705,913 2.792,914 2.482,915 2.297,916 4.415,917 2.341,918 2.313,919 2.425,920 2.036,921 1.833,922 3.765,923 1.859,924 2.069,925 2.165,926 1.805,927 1.554,928 3.402,929 1.567,930 1.92,931 1.988,932 1.545,933 1.283,934 2.619,935 1.368,936 1.655,937 1.848,938 1.156,939 1.084,940 2.31,941 1.066,942 0.411,943 0.404,944 0.563,945 0.382,946 0.269,947 3.702,948 0.32,949 3.639,950 0.26,951 5.064,952 0.684,953 3.437,954 0.271,955 2.424,956 2.879,957 2.341,958 6.16,959 2.439,960 1.653,961 1.612,962 1.856,963 1.896,964 1.102,965 1.879,966 1.347,967 1.25,968 1.672,969 1.692,970 0.675,971 1.684,972 1.048,973 1.016,974 1.261,975 1.398,976 0.265,977 1.355,978 0.573,979 0.49,980 0.941,981 1.028,983 1.014,984 0.207,985 0.073,986 0.716,987 0.7,989 0.713,992 0.459,993 0.466,995 0.461,998 0.156,999 0.315,1001 0.263,1004 0.148,1005 0.18,1007 0.2,1008 2.944,1009 4.078,1010 5.352,1011 6.688,1012 8.058,1013 1.54,1015 8.13,1016 -0.121,1017 4.647,1022 11.294,1023 34.855,1024 60.787,1025 73.684,1026 77.684,1027 77.684,1028 77.684,1029 26.902,1030 4.025,1031 78.43,1032 78.43,1034 10.009,1035 1.585,1036 1.585,1037 27.204,1038 21,1039 18,1040 0.688,1041 78.455,1042 138.15,1043 183.189,1044 143,1045 7.983,1046 0.798,1047 0.568,1048 7.983,1049 5.678,1050 4.664,1051 0.518,1052 0.315,1053 2.754,1054 4.281,1055 2.684,1056 2.272,1057 4.664,1058 2.839,1059 3.865,1060 0.387,1061 0.169,1062 3.865,1063 1.692,1064 2.018,1065 0.252,1066 0.104,1067 2.018,1068 0.83,1069 1.255,1070 0.179,1071 0.06,1072 1.255,1073 0.422,1074 0.797,1075 0.133,1076 0.032,1077 0.797,1078 0.191,1079 1.048,1080 30.773,1081 0.449,1082 10.523,1083 1.887,1084 38,1085 206.286,1086 47.418,1087 188.19,1088 224.98,1089 170,1090 37,1091 138.044,1092 43.955,1093 134.308,1094 182.74,1095 124,1096 5.469} {0 CHEMBL2164246,1 1.808,2 4.889,3 -1.504,4 2.262,5 29.843,6 7.773,8 2.933,9 3.07,10 2.422,11 2.173,12 4.36,13 2.232,14 3.331,15 3.507,16 2.626,17 2.403,18 4.897,19 2.412,20 3.552,21 3.761,22 2.459,23 2.368,24 5.007,25 2.364,26 3.367,27 3.578,28 2.195,29 2.086,30 4.8,31 2.116,32 3.082,33 3.33,34 2.242,35 1.752,36 5.034,37 1.77,38 2.664,39 2.907,40 1.556,41 1.299,42 4.417,43 1.295,44 2.077,45 2.288,46 0.44,47 0.73,48 3.466,49 0.704,50 1.02,51 1.365,52 0.014,53 0.255,54 1.099,55 0.13,56 0.153,57 0.183,58 3.609,59 1.112,60 26.496,61 1.578,62 0.288,63 0.209,64 5.98,65 1.536,66 50.779,67 2.528,68 0.459,69 0.179,70 8.734,71 1.44,72 90.506,73 2.645,74 0.406,75 0.125,76 7.41,77 0.874,78 77.363,79 1.829,80 0.359,81 0.081,82 5.749,83 0.69,84 64.46,85 1.587,86 0.22,87 0.038,88 3.827,89 0.39,90 41.096,91 0.891,92 0.143,93 0.013,94 2.152,95 0.131,96 27.187,97 0.328,98 0.023,99 0.003,100 0.634,101 0.07,102 3.931,103 0.194,104 25,105 9,106 0.434,107 0.744,108 0.839,109 0.896,110 0.896,111 0.838,112 2.342,113 0.892,114 -0.5,115 -0.62,116 -0.77,117 23.5,119 2,128 2,130 1,131 1,132 1,135 1,136 1,137 1,139 2,140 2,141 2,144 2,145 1,146 1,147 3,149 1,152 1,153 1,154 1,157 1,158 1,161 2,162 1,164 1,166 1,170 1,171 1,172 1,174 1,192 55,193 5.56,194 5.56,195 5.56,196 5.56,197 5.56,198 5.199,199 6.498,200 3.483,201 5.611,202 3.86,203 3.86,204 3.86,205 3.86,206 3.86,207 3.215,208 4.573,209 1.597,210 3.856,211 2.28,212 0.986,213 0.588,214 0.353,215 0.353,216 0.593,217 2.862,218 74,219 3,222 0.815,223 17.437,224 0.83,225 0.9,226 0.5,227 1,228 1,229 0.87,230 22,231 44,232 3.691,233 3.637,234 5.03,235 3.421,236 2.406,237 2.869,238 2.341,239 6.017,240 2.425,241 3.459,242 3.515,243 4.562,244 3.087,245 2.075,246 2.613,247 1.886,248 4.906,249 2.071,250 1.784,251 1.305,252 2.865,253 1.668,254 0.676,255 0.705,257 1.249,258 0.665,259 1.449,260 0.894,261 2,262 1.169,263 0.113,264 0.133,266 0.16,267 0.118,268 0.547,269 0.521,270 1.421,271 0.106,272 -1,273 -1.104,274 -0.499,275 -2,276 -0.923,277 0.212,278 -0.058,279 1,280 -0.055,281 -1,282 -1.483,283 -0.757,284 -2.445,285 -1.1,286 -0.317,287 -0.957,288 0.684,289 -0.439,290 -1.424,291 -1.733,292 -1.386,293 -3.212,294 -1.411,295 -0.825,296 -1.438,297 0.438,298 -0.859,299 -1.846,300 -2,301 -1.584,302 -4.674,303 -1.844,363 3.8,364 0.422,365 0.25,366 0.028,367 8,368 0.889,369 3,370 0.333,371 5,372 0.556,373 5.295,374 0.588,375 11.8,376 0.694,377 5.127,378 0.57,379 1.867,380 0.207,381 2.297,382 0.255,383 0.368,385 0.263,386 0.909,387 1.273,388 0.882,389 1.283,390 0.819,391 1.049,392 0.515,393 1.511,394 0.791,395 1.557,396 0.528,397 1.285,398 1.232,399 1.069,400 1.136,401 1.067,402 1.255,403 1.084,404 1.576,405 0.997,406 1.342,407 0.892,408 1.562,409 1.012,410 0.224,411 0.744,412 0.489,413 0.727,414 0.322,415 0.705,416 1.034,417 0.441,418 1.014,419 0.56,420 0.99,421 0.798,422 2.388,423 0.057,424 1.981,425 0.101,426 2.291,427 0.87,434 2.5,436 0.889,437 0.25,438 0.32,439 0.111,444 280,445 1778,446 1.608,447 47.1,449 4,450 4,452 1.342,453 1.459,454 2.432,455 3.138,456 30.732,457 1.808,458 3.102,459 3.499,460 3.735,461 3.735,462 3.494,463 1.891,464 2.725,465 3.141,466 2.464,467 88.717,468 4.966,469 516.494,470 69.487,471 1.53,472 3.031,473 0.313,475 0.099,476 0.036,477 0.064,478 0.022,483 0.533,484 0.5,485 1,486 1.837,487 28.078,488 -0.212,489 0.323,490 -0.108,491 0.104,492 -0.164,493 0.058,494 0.214,495 -0.19,496 0.034,497 -0.288,498 0.18,499 -0.193,500 -0.26,501 -0.169,502 -0.197,503 -0.105,504 -0.243,505 -0.135,506 -0.514,507 -0.213,508 -0.367,509 -0.097,510 -0.46,511 -0.161,512 0.75,513 -0.067,514 0.537,515 -0.022,516 0.624,517 0.165,518 0.067,519 0.108,520 0.038,521 0.025,522 0.092,523 -0.012,524 -0.947,525 0.221,526 -0.864,527 0.29,528 -0.864,529 -0.235,530 0.547,531 0.159,532 1.082,533 0.557,534 0.438,535 1.013,536 2.668,537 3.217,539 4.123,540 1.049,541 1.169,542 -0.735,543 0.54,544 0.568,545 2.197,546 2.303,547 2.079,548 1.792,549 1.792,550 1.099,555 3.266,556 0.575,557 132.14,558 2.197,559 3.555,560 4.205,561 4.934,562 5.617,563 6.344,564 7.038,565 7.761,566 8.461,567 9.18,568 11.8,571 1,572 1,579 17,580 2,582 8,583 16,584 4,592 2,593 2,594 2,595 2,596 2,598 2,599 8,600 5,601 4,602 5,603 2,605 1,608 3,616 1,619 9,620 1,621 1,622 2,623 1,628 17.6,630 2,632 6.167,633 2.617,634 2.25,635 0.779,636 0.314,637 1.082,638 0.793,639 3.793,640 4.143,641 2.398,642 2.639,643 2.398,644 2.079,645 2.398,646 1.386,651 1,652 7,653 3.242,654 -0.037,655 1.223,656 0.083,657 9.148,658 5.479,659 -0.019,660 3.639,661 0.051,662 0.001,663 3.648,664 32.833,665 0.007,666 47.084,667 10.684,668 50.663,669 92.973,670 10.684,671 140.058,672 50.663,674 22.957,675 32.775,676 98.588,679 47.084,680 47.084,681 61.346,682 92.973,683 47.084,684 92.973,686 22.957,687 38.389,689 47.084,690 143.636,691 10.684,692 47.084,693 10.684,695 17.888,696 125.748,697 47.084,698 143.636,699 10.684,700 0.539,701 0.249,702 0.081,703 0.053,704 2,705 2,706 0.188,707 3,710 1.961,711 32.974,714 28.529,715 8.234,716 4.146,717 5.099,719 143.636,722 93.346,723 201.404,724 10,725 20.016,727 -1.462,728 17.836,729 19.87,730 0.442,731 0.759,732 0.856,733 0.914,734 0.914,735 0.855,736 3.497,737 -1.846,738 4.143,739 -3.212,740 2.944,741 3.296,742 2.727,743 4.654,744 2.949,745 4.615,747 5.557,748 -4.674,749 2.565,750 3.219,751 2.591,752 5.198,753 2.583,754 5.844,756 7.059,758 4.263,759 4.99,760 3.99,761 7.836,762 4.275,763 7.095,765 8.6,767 4.511,768 5.565,769 4.379,770 8.992,771 4.542,772 8.363,774 10.16,776 5.784,777 6.889,778 5.454,779 11.201,780 5.808,781 9.638,783 11.731,785 6.304,786 7.715,787 6.078,788 12.615,789 6.348,790 10.917,792 13.308,794 7.392,795 8.872,796 7.018,797 14.646,798 7.431,799 2.406,801 14.891,803 8.054,804 9.807,805 7.754,806 16.203,807 8.111,808 2.075,809 6.017,810 16.477,812 9.047,813 10.896,814 8.637,815 18.138,816 9.102,817 0.676,818 4.906,819 18.065,820 2.869,821 9.789,822 11.883,823 9.429,824 19.782,825 9.861,826 0.113,827 1.249,828 19.656,829 2.613,830 10.73,831 12.942,832 10.289,833 21.662,834 10.803,835 -1,836 0.16,837 21.249,838 0.705,839 11.523,840 13.954,841 11.109,842 23.362,843 11.61,844 -1,845 -2,846 22.844,847 0.133,848 12.435,849 15.001,850 11.96,851 25.208,852 12.525,853 -1.424,854 -2.445,855 24.44,856 -1.104,857 13.258,858 16.026,859 12.793,860 26.943,861 13.361,862 377,863 982,864 4.277,865 9.659,866 10.767,867 11.35,868 11.414,869 10.592,870 10.539,871 12.642,872 8.453,873 24.662,874 10.557,875 4.516,876 5.075,877 4.592,878 4.28,879 4.253,880 4.869,881 3.925,882 10.691,883 4.269,884 5.952,885 1.346,886 1.419,887 1.427,888 1.324,889 1.317,890 1.58,891 1.057,892 3.083,893 1.32,894 3.731,895 3.771,896 3.64,897 3.527,898 7.475,899 3.544,900 3.378,901 3.431,902 3.31,903 3.009,904 7.429,905 3.079,906 2.948,907 3.035,908 2.749,909 2.495,910 6.351,911 2.547,912 2.544,913 2.605,914 2.351,915 2.075,916 5.082,917 2.134,918 2.101,919 2.237,920 1.809,921 1.626,922 3.763,923 1.61,924 1.93,925 1.997,926 1.549,927 1.285,928 3.09,929 1.371,930 1.801,931 1.939,932 1.409,933 1.213,934 2.522,935 1.232,936 0.941,937 1.207,938 0.083,939 0.38,940 1.143,941 0.262,942 0.461,943 0.455,944 0.629,945 0.428,946 0.301,947 3.691,948 0.359,949 3.637,950 0.293,951 5.03,952 0.752,953 3.421,954 0.303,955 2.406,956 2.869,957 2.341,958 6.017,959 2.425,960 1.648,961 1.608,962 1.851,963 1.884,964 1.1,965 1.868,966 1.183,967 1.138,968 1.405,969 1.599,970 0.273,971 1.546,972 0.79,973 0.681,974 1.117,975 1.247,977 1.205,978 0.366,979 0.293,980 0.755,981 0.86,983 0.83,984 0.055,986 0.629,987 0.545,989 0.587,992 0.158,993 0.323,995 0.267,998 0.15,999 0.254,1001 0.233,1008 2.833,1009 3.97,1010 5.252,1011 6.586,1012 7.947,1014 4.666,1015 8.037,1016 -0.241,1017 1.818,1022 9.768,1023 30.732,1024 52.732,1025 59.487,1026 63.487,1027 63.487,1028 59.399,1029 23.654,1030 3.829,1031 92.42,1032 92.42,1034 9.853,1035 1.585,1036 1.585,1037 22.718,1038 17,1039 13,1040 0.726,1041 68.862,1042 120.85,1043 159.784,1044 104,1045 7.276,1046 0.808,1047 0.528,1048 7.276,1049 4.755,1050 4.164,1051 0.52,1052 0.297,1053 2.307,1054 3.819,1055 2.288,1056 1.91,1057 4.164,1058 2.378,1059 3.485,1060 0.387,1061 0.162,1062 3.485,1063 1.461,1064 1.934,1065 0.276,1066 0.104,1067 1.934,1068 0.727,1069 0.822,1070 0.164,1071 0.059,1072 0.822,1073 0.293,1074 0.687,1075 0.137,1076 0.027,1077 0.687,1078 0.133,1079 1.085,1080 27.627,1081 0.484,1082 9.314,1083 2.027,1084 34,1085 197.266,1086 42.724,1087 181.137,1088 213.38,1089 162,1090 33,1091 129.179,1092 39.261,1093 125.692,1094 170.3,1095 116,1096 6.319} {0 CHEMBL2164247,1 1.635,2 5.75,3 -0.485,4 0.235,5 43.747,6 6.701,8 3.313,9 3.454,10 2.723,11 2.593,12 4.51,13 2.593,14 3.832,15 4.078,16 2.989,17 2.841,18 5.081,19 2.828,20 3.983,21 4.191,22 2.959,23 3,24 5.213,25 2.965,26 4.11,27 4.344,28 2.803,29 3.033,30 5.307,31 2.927,32 4.087,33 4.388,34 2.655,35 2.832,36 5.437,37 2.668,38 3.671,39 3.98,40 2.323,41 2.521,42 4.688,43 2.358,44 3.47,45 3.74,46 2.051,47 2.14,48 4.771,49 2.062,50 3.023,51 3.231,52 0.93,53 1.452,54 4.454,55 1.385,56 0.091,57 0.305,58 6.149,59 1.88,60 10.254,61 2.961,62 0.347,63 0.394,64 11.174,65 2.249,66 40.472,67 4.158,68 0.404,69 0.44,70 13.121,71 2.915,72 45.034,73 4.841,74 0.392,75 0.42,76 14.788,77 3.485,78 59.241,79 5.831,80 0.622,81 0.331,82 14.964,83 3.064,84 102.516,85 5.448,86 0.259,87 0.234,88 9.438,89 2.26,90 25.214,91 3.9,92 0.258,93 0.138,94 8.019,95 1.384,96 38.942,97 2.537,98 0.306,99 0.053,100 5.495,101 0.558,102 54.006,103 1.072,104 48,105 14,106 0.344,107 0.529,108 0.677,109 0.776,110 0.776,111 0.776,112 2.591,113 0.983,114 -1.64,115 -1.71,116 -1.73,117 26.9,119 2,120 3,128 2,133 1,137 1,138 1,139 3,140 1,141 1,143 1,144 4,147 1,151 1,152 2,158 2,160 1,161 2,167 1,171 1,192 132,193 7.104,194 7.104,195 7.104,196 7.104,197 7.104,198 6.767,199 10.417,200 4.23,201 7.195,202 5.348,203 5.348,204 5.348,205 5.348,206 5.348,207 4.751,208 11.141,209 1.969,210 5.475,211 3.066,212 2.187,213 1.482,214 1.01,215 1.01,216 1.01,217 3.142,218 120,219 3.742,222 0.958,223 19.04,224 0.83,225 1,226 1,227 1,228 1,229 0.95,230 28,231 69,232 3.995,233 3.728,234 6.196,235 3.825,236 2.856,237 3.145,238 2.341,239 8.743,240 2.76,241 3.533,242 3.573,243 4.791,244 3.223,245 2.223,246 2.687,247 1.907,248 5.308,249 2.197,250 3.029,251 2.549,252 4.511,253 2.794,254 1.798,255 2.033,256 0.4,257 4.431,258 1.772,259 1.824,260 1.306,261 3.163,262 1.707,263 0.76,264 0.781,265 0.149,266 1.658,267 0.714,268 1.588,269 1.214,270 2.336,271 1.255,272 0.224,273 0.269,275 0.459,276 0.226,277 0.548,278 0.551,279 1.727,280 0.106,281 -1,282 -1,284 -2,285 -0.9,286 0.214,287 -0.015,288 1.388,289 -0.055,290 -1,291 -1.104,292 -0.4,293 -2,294 -0.923,296 -0.6,297 1.216,298 -0.1,299 -1,300 -1.398,301 -0.657,302 -2.481,303 -1.099,304 -0.273,305 -0.818,306 1,307 -0.384,308 -1.327,309 -1.513,310 -0.757,311 -3.445,312 -1.257,313 -0.57,314 -1.304,315 1,316 -0.645,317 -1.636,318 -1.901,319 -1.399,320 -4.378,321 -1.624,322 -0.888,323 -1.565,324 0.671,325 -0.926,326 -1.897,327 -2,328 -1.584,329 -6.294,330 -1.866,363 5.3,364 0.442,365 0.467,366 0.039,367 10.25,368 0.854,369 3,370 0.25,371 7.25,372 0.604,373 8.83,374 0.736,375 15.7,376 0.604,377 7.839,378 0.653,379 2.405,380 0.2,381 3.042,382 0.253,383 0.472,385 0.34,386 0.75,387 2.041,388 0.915,389 1.75,390 0.687,391 1.414,392 0.662,393 1.164,394 0.767,395 0.886,396 0.431,397 0.81,398 1.316,399 1.042,400 1.305,401 1.048,402 1.209,403 1.134,404 1.152,405 1.239,406 1.206,407 1.318,408 1.204,409 1.289,410 0.589,411 0.684,412 0.77,413 0.759,414 0.72,415 0.824,416 0.398,417 0.849,418 0.632,419 0.993,420 0.501,421 0.899,422 1.411,423 0.799,424 0.995,425 0.898,426 1.394,427 0.852,428 3.204,429 0.251,430 2.124,431 0.332,432 3.357,433 0.949,434 3.5,436 1.778,437 0.75,438 0.4,439 0.222,440 0.163,444 635,445 2629,446 1.619,447 53.8,448 9,449 1,450 4,452 1.454,453 1.44,454 2.616,455 -0.002,456 42.502,457 1.635,458 2.513,459 3.219,460 3.69,461 3.69,462 3.69,463 1.959,464 2.918,465 3.556,466 2.708,467 178.739,468 5.838,469 1296.01,470 122.211,471 1.459,472 3.413,473 0.318,475 0.127,476 0.058,477 0.04,478 0.028,479 0.027,483 0.598,484 0.5,485 1,486 1.792,487 43.084,488 -0.03,489 -0.471,490 -0.005,491 -0.323,492 -0.079,493 -0.188,494 0.132,495 -0.01,496 0.19,497 0.088,498 0.202,499 0.168,500 -0.29,501 0.153,502 -0.318,503 -0.009,504 -0.212,505 -0.144,506 -0.208,507 -0.211,508 -0.266,509 -0.259,510 -0.18,511 -0.278,512 0.315,513 0.07,514 0.172,515 0.088,516 0.247,517 0.083,518 0.271,519 -0.003,520 0.254,521 -0.049,522 0.125,523 0.079,524 -0.201,525 -0.124,526 0.013,527 -0.094,528 -0.135,529 0.014,530 -0.984,531 0.133,532 -0.9,533 0.189,534 -0.925,535 -0.32,536 2.615,537 4.11,539 6.333,540 1.019,541 1.158,542 0.406,543 0.165,544 0.575,545 2.485,546 2.708,547 2.639,548 2.398,549 2.197,550 1.946,551 1.609,555 3.806,556 0.552,557 174.23,558 2.485,559 3.932,560 4.654,561 5.442,562 6.196,563 6.986,564 7.751,565 8.54,566 9.31,567 10.098,568 7.7,570 1,572 1,579 26,580 2,582 11,583 25,584 7,592 2,593 2,594 5,595 2,596 2,598 2,599 14,600 5,601 1,602 5,603 2,605 1,608 3,616 1,618 3,619 12,621 1,622 2,626 2,628 11.5,630 2,632 8.333,633 5.433,634 2.806,635 1.323,636 0.256,637 1.058,638 0.799,639 4.664,640 4.625,641 2.639,642 2.944,643 2.89,644 2.708,645 2.639,646 2.197,647 1.946,651 0.75,652 13,653 4.402,654 0.006,655 1.652,656 -0.014,657 8.528,658 7.882,659 0.003,660 5.381,661 -0.008,663 3.028,664 36.333,665 0.004,666 153.024,667 35.873,668 6.004,669 92.973,670 35.873,671 245.998,672 6.004,673 25.189,674 8.071,676 98.588,677 3.002,679 153.024,680 153.024,681 41.876,682 92.973,683 153.024,684 92.973,686 11.073,687 30.804,689 153.024,690 98.977,691 35.873,692 153.024,693 10.684,694 31.193,696 92.973,697 153.024,698 98.977,699 35.873,700 0.577,701 0.289,702 0.099,703 0.046,704 4,705 4,706 0.16,707 4,710 2.217,711 55.246,714 39.02,715 11.234,716 4.982,717 4.691,719 98.977,722 42.683,723 287.874,724 13,725 21.222,727 -1.141,728 26.487,729 30.116,730 0.348,731 0.535,732 0.685,733 0.785,734 0.785,735 0.785,736 3.829,737 -1,738 4.673,739 -2,740 3.367,741 3.611,742 2.768,743 5.361,744 3.322,745 4.984,746 -1.327,747 6.209,748 -2.481,749 3.219,750 3.611,751 2.591,752 6.225,753 3.134,754 6.242,755 -1.636,756 7.849,757 -3.445,758 4.86,759 5.342,760 4.006,761 9.124,762 4.761,763 7.525,764 -1.897,765 9.542,766 -4.378,767 5.398,768 6.019,769 4.392,770 10.712,771 5.248,772 8.83,774 11.269,775 -6.294,776 6.65,777 7.345,778 5.469,779 13.214,780 6.483,781 10.148,783 13.018,785 7.468,786 8.281,787 6.092,788 15.104,789 7.249,790 11.477,792 14.784,794 8.588,795 9.476,796 7.032,797 17.441,798 8.346,799 2.856,801 16.563,803 9.529,804 10.521,805 7.767,806 19.472,807 9.24,808 2.223,809 8.743,810 18.352,812 10.602,813 11.671,814 8.649,815 21.727,816 10.283,817 1.798,818 5.308,819 20.15,820 3.145,821 11.599,822 12.764,823 9.44,824 23.827,825 11.238,826 0.76,827 4.431,828 21.953,829 2.687,830 12.655,831 13.901,832 10.299,833 26.041,834 12.261,835 0.224,836 1.658,837 23.762,838 2.033,839 13.679,840 15.016,841 11.117,842 28.174,843 13.245,844 -1,845 0.459,846 25.574,847 0.781,848 14.728,849 16.15,850 11.967,851 30.366,852 14.26,853 -1,854 -2,855 27.389,856 0.269,857 15.765,858 17.276,859 12.8,860 32.516,861 15.259,862 808,863 1704,864 5.781,865 14.943,866 16.12,867 16.904,868 16.96,869 15.791,870 15.722,871 17.83,872 9.594,873 41.196,874 15.34,875 4.883,876 5.293,877 5.525,878 4.751,879 4.754,880 5.145,881 3.925,882 15.037,883 4.626,884 8.992,885 1.465,886 1.537,887 1.542,888 1.436,889 1.429,890 1.621,891 0.872,892 3.745,893 1.395,894 3.784,895 3.843,896 3.698,897 3.56,898 7.475,899 3.582,900 3.552,901 3.615,902 3.439,903 3.282,904 7.427,905 3.304,906 3.256,907 3.316,908 3.122,909 2.973,910 6.351,911 2.994,912 3.028,913 3.092,914 2.771,915 2.738,916 4.371,917 2.743,918 2.874,919 3.009,920 2.499,921 2.618,922 3.846,923 2.57,924 2.58,925 2.623,926 2.386,927 2.16,928 3.692,929 2.216,930 2.099,931 2.222,932 1.809,933 1.632,934 3.467,935 1.615,936 1.926,937 1.99,938 1.551,939 1.283,940 2.756,941 1.37,942 0.363,943 0.339,944 0.563,945 0.348,946 0.26,947 3.995,948 0.286,949 3.728,950 0.213,951 6.196,952 0.795,953 3.825,954 0.251,955 2.856,956 3.145,957 2.341,958 8.743,959 2.76,960 1.683,961 1.634,962 1.883,963 1.941,964 1.114,965 1.922,966 1.481,967 1.397,968 1.764,969 1.759,970 0.86,971 1.759,972 1.192,973 1.111,974 1.566,975 1.493,976 0.623,977 1.513,978 0.941,979 0.895,980 1.417,981 1.294,982 0.469,983 1.308,984 0.934,985 0.804,986 1.178,987 1.239,988 0.224,989 1.262,990 0.404,991 0.361,992 0.748,993 0.872,995 0.835,996 0.042,998 0.506,999 0.522,1001 0.544,1004 0.153,1005 0.316,1007 0.261,1008 3.135,1009 4.369,1010 5.759,1011 7.215,1012 8.707,1013 5.043,1015 8.298,1016 -0.068,1020 2.979,1022 14.348,1023 42.502,1024 65.351,1025 83.682,1026 95.947,1027 95.947,1028 95.947,1029 40.153,1030 4.369,1031 60.85,1032 60.85,1034 10.709,1035 1.585,1036 1.585,1037 37.002,1038 26,1039 22,1040 0.739,1041 97.639,1042 172.75,1043 230,1044 222,1045 9.724,1046 0.81,1047 0.631,1048 9.724,1049 7.572,1050 5.447,1051 0.495,1052 0.328,1053 3.496,1054 5.004,1055 3.29,1056 2.819,1057 5.447,1058 3.604,1059 5.052,1060 0.361,1061 0.19,1062 5.052,1063 2.658,1064 3.148,1065 0.242,1066 0.116,1067 3.148,1068 1.514,1069 1.516,1070 0.152,1071 0.06,1072 1.516,1073 0.599,1074 0.87,1075 0.109,1076 0.034,1077 0.87,1078 0.272,1079 1.111,1080 35.782,1081 0.416,1082 12.388,1083 2.108,1084 50,1085 228.911,1086 60.806,1087 209.7,1088 256.02,1089 190,1090 52,1091 164.413,1092 61.341,1093 163.159,1094 222.88,1095 148,1096 4.939} {0 CHEMBL2164248,1 1.564,2 5.727,3 -0.08,4 0.006,5 39.422,6 6.634,8 3.219,9 3.35,10 2.6,11 2.581,12 4.41,13 2.561,14 3.734,15 3.945,16 2.867,17 2.854,18 5.045,19 2.787,20 3.991,21 4.24,22 2.675,23 2.892,24 5.123,25 2.799,26 3.911,27 4.185,28 2.63,29 2.743,30 5.092,31 2.658,32 3.626,33 3.822,34 2.536,35 2.534,36 5.324,37 2.451,38 3.505,39 3.808,40 1.963,41 2.387,42 4.384,43 2.204,44 3.293,45 3.588,46 1.979,47 2.043,48 4.504,49 1.943,50 2.932,51 3.109,52 0.924,53 1.382,54 4.431,55 1.35,56 0.068,57 0.288,58 5.558,59 2.031,60 12.265,61 2.916,62 0.242,63 0.389,64 9.785,65 2.862,66 46.155,67 4.539,68 0.372,69 0.402,70 13.251,71 2.904,72 64.332,73 4.895,74 0.329,75 0.328,76 12.225,77 2.688,78 60.168,79 4.529,80 0.474,81 0.259,82 9.426,83 2.22,84 90.557,85 3.446,86 0.181,87 0.221,88 7.857,89 2.025,90 36.045,91 3.357,92 0.146,93 0.144,94 6.444,95 1.369,96 23.837,97 2.393,98 0.285,99 0.06,100 5.02,101 0.511,102 53.526,103 0.904,104 37,105 12,106 0.337,107 0.592,108 0.758,109 0.794,110 0.794,111 0.794,112 2.513,113 1.06,114 -1.61,115 -1.68,116 -1.71,117 29.2,118 2,119 2,122 1,128 2,137 1,139 2,140 2,141 4,142 1,144 2,147 2,151 2,152 1,154 1,155 2,158 1,161 2,162 1,165 2,176 2,178 2,180 2,192 104,193 6.552,194 6.552,195 6.552,196 6.552,197 6.552,198 6.19,199 9.626,200 4.123,201 6.604,202 4.933,203 4.933,204 4.933,205 4.933,206 4.933,207 4.32,208 11.967,209 1.99,210 4.99,211 3.021,212 1.836,213 1.063,214 0.896,215 0.896,216 0.896,217 3.06,218 109,219 3.464,222 1.025,223 18.211,224 0.83,225 1,226 1,227 1,228 1,229 0.95,230 25.5,231 63,232 3.743,233 3.646,234 5.217,235 3.509,236 2.516,237 2.912,238 2.341,239 6.585,240 2.488,241 3.493,242 3.531,243 4.646,244 3.176,245 2.18,246 2.642,247 1.907,248 5.141,249 2.145,250 2.959,251 2.242,252 4.242,253 2.806,254 1.795,255 1.956,256 0.149,257 4.181,258 1.799,259 1.727,260 1.305,261 2.752,262 1.508,263 0.495,264 0.548,266 1.057,267 0.493,268 0.824,269 0.607,270 2,271 0.539,272 -0.466,273 -0.522,275 -1.123,276 -0.46,277 0.529,278 0.296,279 1.478,280 0.104,281 -1,282 -1,284 -2,285 -0.927,286 0.145,287 -0.173,288 1,290 -1,291 -1.143,292 -0.657,293 -2,294 -1,296 -1,297 1,298 -0.06,299 -1,300 -1.505,301 -0.757,302 -2.518,303 -1.102,304 -0.538,305 -1.145,306 1,307 -0.65,308 -1.629,309 -1.889,310 -1.399,311 -4.135,312 -1.581,313 -0.882,314 -1.489,315 0.665,316 -0.931,317 -1.892,318 -2,319 -1.584,320 -5.187,321 -1.856,363 4.9,364 0.445,365 0.394,366 0.036,367 9.25,368 0.841,369 3,370 0.273,371 6.25,372 0.568,373 8.233,374 0.748,375 14.3,376 0.596,377 5.911,378 0.537,379 1.902,380 0.173,381 3.118,382 0.283,383 0.408,385 0.306,386 0.787,387 1.692,388 0.956,389 1.516,390 0.703,391 1.299,392 0.402,393 1.515,394 0.782,395 1.388,396 0.402,397 1.209,398 1.216,399 0.939,400 1.219,401 0.952,402 1.147,403 1.046,404 1.08,405 0.821,406 0.856,407 0.799,408 1.088,409 0.767,410 0.878,411 0.966,412 1.152,413 1.098,414 1.081,415 1.214,416 0.675,417 0.858,418 0.826,419 0.946,420 0.691,421 0.933,422 0.861,423 0.914,424 0.646,425 0.955,426 0.802,427 0.768,428 3.566,429 0.286,430 2.42,431 0.354,432 3.51,433 1.037,434 3.5,436 0.889,437 0.625,438 0.4,439 0.111,440 0.163,444 526,445 2112,446 1.63,447 54.2,448 1,449 2,450 4,451 6,452 1.419,453 1.467,454 2.616,455 0.748,456 37.527,457 1.564,458 2.749,459 3.522,460 3.689,461 3.689,462 3.689,463 1.936,464 2.914,465 3.43,466 2.71,467 149.026,468 5.563,469 1023.63,470 110.039,471 1.539,472 3.309,473 0.35,475 0.074,476 0.069,477 0.044,478 0.016,479 0.041,483 0.595,484 0.5,485 1,486 1.859,487 38.386,488 -0.106,489 -0.172,490 -0.058,491 -0.086,492 -0.084,493 -0.061,494 0.276,495 -0.302,496 0.116,497 -0.224,498 0.234,499 -0.118,500 -0.261,501 0.065,502 -0.254,503 -0.046,504 -0.225,505 -0.125,506 -0.119,507 0.02,508 0.105,509 0.077,510 -0.093,511 0.15,512 0.36,513 0.007,514 -0.136,515 -0.125,516 0.28,517 -0.272,518 0.002,519 -0.01,520 0.054,521 -0.02,522 -0.036,523 0.029,524 0.033,525 -0.186,526 0.293,527 -0.117,528 0.073,529 0.138,530 -1.12,531 0.181,532 -1.136,533 0.156,534 -1.028,535 -0.45,536 2.607,537 3.783,539 5.851,540 1.016,541 1.151,542 0.381,543 0.146,544 0.581,545 2.398,546 2.565,547 2.303,548 2.303,549 2.079,550 1.609,551 1.609,555 3.809,556 0.555,557 159.21,558 2.398,559 3.807,560 4.466,561 5.242,562 5.927,563 6.701,564 7.399,565 8.168,566 8.875,567 9.639,568 4.2,572 1,579 24,580 2,582 10,583 23,584 7,591 2,592 3,593 2,594 5,595 2,596 2,598 2,599 13,600 4,601 2,602 4,603 1,608 3,612 1,616 1,618 2,619 11,621 1,622 2,623 1,625 1,628 12.5,630 2,632 7.5,633 4.617,634 2.583,635 1.446,636 0.273,637 1.065,638 0.794,639 4.664,640 4.477,641 2.565,642 2.833,643 2.565,644 2.639,645 2.565,646 1.792,647 1.946,651 0.75,652 9,653 4.042,654 -0.011,655 1.536,656 0.026,657 8.606,658 7.259,659 -0.005,660 5.096,661 0.015,662 0.001,663 3.106,664 34.167,665 0.006,666 129.482,667 28.334,668 18.011,669 92.973,670 28.334,671 222.455,672 18.011,673 17.65,674 23.08,676 98.588,679 129.482,680 129.482,681 46.345,682 92.973,683 58.856,684 163.6,686 40.73,687 5.615,689 129.482,690 110.984,691 28.334,692 129.482,693 10.684,694 17.65,695 18.011,696 92.973,697 129.482,698 110.984,699 28.334,700 0.555,701 0.228,702 0.106,703 0.053,704 3,705 3,706 0.174,707 4,710 2.182,711 46.263,714 36.054,715 10.273,716 4.994,717 7.166,719 110.984,722 60.694,723 268.8,724 12,725 20.793,727 -1.147,728 24.385,729 27.618,730 0.341,731 0.6,732 0.768,733 0.805,734 0.805,735 0.805,736 3.714,737 -1,738 4.443,739 -2,740 3.219,741 3.497,742 2.748,743 5.004,744 3.199,745 4.844,746 -1.629,747 5.872,748 -2.518,749 2.944,750 3.434,751 2.591,752 5.533,753 2.925,754 6.071,755 -1.892,756 7.386,757 -4.135,758 4.575,759 5.153,760 4.005,761 8.288,762 4.526,763 7.312,765 8.937,766 -5.187,767 4.875,768 5.707,769 4.392,770 9.403,771 4.831,772 8.569,774 10.507,776 6.138,777 7.031,778 5.469,779 11.777,780 6.062,781 9.835,783 12.09,785 6.701,786 7.843,787 6.092,788 13.184,789 6.629,790 11.107,792 13.681,794 7.8,795 9.012,796 7.032,797 15.369,798 7.701,799 2.516,801 15.28,803 8.507,804 9.946,805 7.767,806 16.956,807 8.408,808 2.18,809 6.585,810 16.885,812 9.522,813 11.049,814 8.649,815 19.027,816 9.4,817 1.795,818 5.141,819 18.496,820 2.912,821 10.314,822 12.042,823 9.44,824 20.727,825 10.189,826 0.495,827 4.181,828 20.111,829 2.642,830 11.282,831 13.115,832 10.299,833 22.728,834 11.139,835 -0.466,836 1.057,837 21.73,838 1.956,839 12.125,840 14.138,841 11.117,842 24.498,843 11.975,844 -1,845 -1.123,846 23.353,847 0.548,848 13.068,849 15.2,850 11.967,851 26.455,852 12.903,853 -1,854 -2,855 24.979,856 -0.522,857 13.941,858 16.238,859 12.8,860 28.269,861 13.769,862 669,863 1402,864 5.375,865 13.938,866 14.245,867 15.192,868 14.514,869 13.997,870 13.973,871 16.118,872 8.794,873 33.927,874 13.851,875 4.625,876 5.135,877 4.553,878 4.44,879 4.408,880 4.912,881 3.925,882 11.773,883 4.344,884 7.849,885 1.424,886 1.519,887 1.451,888 1.4,889 1.397,890 1.612,891 0.879,892 3.393,893 1.385,894 3.78,895 3.831,896 3.679,897 3.585,898 7.475,899 3.597,900 3.576,901 3.629,902 3.44,903 3.396,904 7.428,905 3.391,906 3.234,907 3.244,908 3.138,909 2.917,910 6.351,911 2.975,912 2.874,913 3.009,914 2.499,915 2.618,916 4.306,917 2.57,918 2.691,919 2.768,920 2.481,921 2.282,922 3.775,923 2.328,924 2.246,925 2.372,926 1.944,927 1.811,928 3.467,929 1.812,930 2.053,931 2.128,932 1.802,933 1.553,934 3.382,935 1.558,936 1.917,937 1.986,938 1.544,939 1.283,940 2.568,941 1.368,942 0.374,943 0.365,944 0.522,945 0.351,946 0.252,947 3.743,948 0.291,949 3.646,950 0.234,951 5.217,952 0.659,953 3.509,954 0.249,955 2.516,956 2.912,957 2.341,958 6.585,959 2.488,960 1.711,961 1.658,962 1.94,963 1.932,964 1.14,965 1.933,966 1.557,967 1.498,968 1.814,969 1.77,970 1.051,971 1.784,972 1.061,973 1.047,974 1.417,975 1.418,976 0.469,977 1.36,978 0.934,979 0.804,980 1.252,981 1.239,982 0.264,983 1.308,984 0.551,985 0.475,986 0.921,987 1.005,989 0.985,990 0.186,991 0.051,992 0.713,993 0.654,995 0.688,998 0.456,999 0.423,1001 0.409,1004 0.156,1005 0.312,1007 0.262,1008 3.045,1009 4.234,1010 5.541,1011 6.905,1012 8.302,1013 3.664,1015 8.216,1016 -0.036,1017 2.596,1019 0.08,1022 13.327,1023 37.527,1024 65.985,1025 84.529,1026 88.529,1027 88.529,1028 88.529,1029 36.082,1030 4.205,1031 66.4,1032 66.4,1034 10.282,1035 1.585,1036 1.585,1037 32.009,1038 24,1039 18,1040 0.688,1041 90.845,1042 161.75,1043 213.422,1044 184,1045 8.853,1046 0.805,1047 0.614,1048 8.853,1049 6.755,1050 5.02,1051 0.502,1052 0.353,1053 3.471,1054 4.726,1055 3.317,1056 2.828,1057 5.02,1058 3.532,1059 4.706,1060 0.392,1061 0.218,1062 4.706,1063 2.616,1064 2.111,1065 0.235,1066 0.113,1067 2.111,1068 1.016,1069 1.54,1070 0.171,1071 0.068,1072 1.54,1073 0.615,1074 0.873,1075 0.125,1076 0.04,1077 0.873,1078 0.278,1079 1.053,1080 32.259,1081 0.431,1082 11.542,1083 1.895,1084 44,1085 197.954,1086 52.696,1087 181.981,1088 218.16,1089 164,1090 43,1091 134.275,1092 48.818,1093 131.871,1094 180.6,1095 122,1096 4} {0 CHEMBL2164249,1 1.661,2 5.727,3 -0.044,4 0.002,5 36.901,6 7.326,8 3.171,9 3.278,10 2.651,11 2.428,12 4.459,13 2.463,14 3.658,15 3.858,16 2.897,17 2.623,18 5.096,19 2.653,20 3.799,21 3.965,22 2.687,23 2.645,24 5.087,25 2.65,26 3.705,27 3.929,28 2.633,29 2.523,30 5.015,31 2.53,32 3.497,33 3.643,34 2.571,35 2.346,36 5.364,37 2.339,38 3.355,39 3.654,40 1.982,41 2.247,42 4.293,43 2.07,44 3.165,45 3.47,46 1.948,47 1.957,48 4.344,49 1.867,50 2.884,51 3.042,52 0.921,53 1.345,54 4.419,55 1.331,56 0.156,57 0.24,58 4.85,59 1.644,60 16.192,61 2.362,62 0.419,63 0.288,64 9.221,65 2,66 52.482,67 3.338,68 0.581,69 0.278,70 11.261,71 2.178,72 67.843,73 3.409,74 0.445,75 0.244,76 10.313,77 1.883,78 60.398,79 3.251,80 0.591,81 0.207,82 8.281,83 1.581,84 95.988,85 2.557,86 0.276,87 0.183,88 7.238,89 1.694,90 28.422,91 2.953,92 0.187,93 0.123,94 5.969,95 1.157,96 20.817,97 2.219,98 0.34,99 0.051,100 4.968,101 0.442,102 59.501,103 0.798,104 37,105 12,106 0.367,107 0.572,108 0.689,109 0.729,110 0.77,111 0.77,112 2.513,113 0.936,114 -1.69,115 -1.76,116 -1.78,117 27.3,119 2,120 2,128 2,133 1,137 1,138 1,139 3,140 1,141 1,143 1,144 4,147 1,151 1,152 2,158 2,160 1,161 2,167 1,171 1,192 104,193 6.552,194 6.552,195 6.552,196 6.552,197 6.552,198 6.19,199 6.376,200 4.123,201 6.657,202 4.933,203 4.933,204 4.933,205 4.933,206 4.933,207 4.32,208 4.565,209 1.99,210 5.081,211 2.798,212 1.874,213 1.341,214 1.16,215 0.978,216 0.978,217 3.06,218 109,219 3.464,222 1.025,223 19.611,224 0.83,225 1,226 1,227 1,228 1,229 0.95,230 26.5,231 63,232 3.743,233 4.341,234 5.217,235 3.49,236 2.516,237 2.912,238 2.938,239 6.585,240 2.433,241 3.493,242 3.607,243 4.646,244 3.17,245 2.18,246 2.642,247 2.341,248 5.141,249 2.128,250 2.959,251 3.389,252 4.242,253 2.777,254 1.795,255 1.956,256 1.616,257 4.181,258 1.742,259 1.727,260 1.305,261 2.752,262 1.497,263 0.495,264 0.548,266 1.057,267 0.485,268 0.824,269 0.884,270 2,271 0.516,272 -0.466,273 -0.522,274 -0.349,275 -1.123,276 -0.45,277 0.529,278 0.556,279 1.478,280 0.104,281 -1,282 -1,283 -0.4,284 -2,285 -0.9,286 0.145,287 0.117,288 1,289 -0.06,290 -1,291 -1.143,292 -0.757,293 -2,294 -0.928,296 -0.363,297 1,298 -0.1,299 -1,300 -1.505,301 -1.295,302 -2.518,303 -1.102,304 -0.538,305 -0.6,306 1,307 -0.65,308 -1.629,309 -1.889,310 -1.584,311 -4.135,312 -1.563,313 -0.882,314 -1.357,315 0.665,316 -0.944,317 -1.892,318 -2,319 -2.51,320 -5.187,321 -1.846,363 4.733,364 0.43,365 0.394,366 0.036,367 9.75,368 0.886,369 3,370 0.273,371 6.75,372 0.614,373 7.024,374 0.639,375 14.467,376 0.658,377 7.12,378 0.647,379 2.377,380 0.216,381 2.643,382 0.24,383 0.423,385 0.296,386 0.75,387 1.909,388 0.824,389 1.712,390 0.712,391 1.342,392 0.642,393 1.138,394 0.721,395 1.103,396 0.422,397 0.915,398 1.608,399 0.973,400 1.403,401 0.977,402 1.347,403 1.12,404 1.219,405 0.919,406 0.955,407 0.869,408 1.216,409 0.811,410 0.856,411 1.048,412 1.237,413 1.085,414 1.15,415 1.283,416 0.315,417 0.813,418 0.683,419 0.939,420 0.419,421 0.967,422 0.493,423 0.983,424 0.478,425 1.039,426 0.491,427 0.772,428 2.918,429 0.316,430 2.406,431 0.4,432 3.467,433 1.17,434 3.5,436 0.889,437 0.625,438 0.4,439 0.111,440 0.163,444 526,445 2588,446 1.63,447 50,448 6,449 1,450 4,452 1.419,453 1.467,454 2.616,455 0.057,456 36.544,457 1.661,458 2.586,459 3.118,460 3.3,461 3.482,462 3.482,463 1.936,464 2.914,465 3.43,466 2.71,467 149.026,468 5.563,469 1023.63,470 98.107,471 1.539,472 3.309,473 0.35,475 0.074,476 0.069,477 0.044,478 0.016,479 0.041,483 0.595,484 0.5,485 1,486 1.859,487 38.386,488 -0.011,489 -0.383,490 -0.002,491 -0.284,492 -0.089,493 -0.167,494 0.188,495 -0.006,496 0.2,497 -0.086,498 0.26,499 0.076,500 -0.427,501 -0.03,502 -0.413,503 -0.019,504 -0.351,505 -0.206,506 -0.241,507 -0.038,508 0.018,509 0.03,510 -0.176,511 0.122,512 0.345,513 -0.053,514 -0.242,515 -0.136,516 0.296,517 -0.384,518 0.281,519 0.077,520 0.2,521 0.011,522 0.119,523 0.049,524 0.159,525 -0.198,526 0.44,527 -0.159,528 0.196,529 0.221,530 -1.113,531 0.138,532 -1.229,533 0.114,534 -1.163,535 -0.554,536 2.666,537 3.631,539 5.851,540 1.038,541 1.155,542 0.459,543 0.21,544 0.574,545 2.398,546 2.565,547 2.303,548 2.303,549 2.079,550 1.609,551 1.609,555 3.809,556 0.569,557 161.18,558 2.398,559 3.807,560 4.466,561 5.242,562 5.927,563 6.701,564 7.399,565 8.168,566 8.875,567 9.639,568 4.5,570 1,579 22,580 2,582 10,583 21,584 6,592 2,593 2,594 4,595 2,596 2,598 2,599 11,600 5,601 1,602 5,603 1,608 4,614 1,616 1,618 2,619 11,621 1,622 2,624 1,626 1,628 18.2,630 2,631 1,632 7.5,633 4.4,634 2.583,635 1.108,636 0.273,637 1.065,638 0.775,639 4.615,640 4.477,641 2.565,642 2.833,643 2.565,644 2.639,645 2.565,646 1.792,647 1.946,651 0.75,652 9,653 4.012,654 -0.011,655 1.497,656 0.026,657 8.758,658 7.002,659 -0.005,660 4.625,661 0.016,663 3.258,664 35.833,665 0.004,666 117.711,667 29.963,668 5.739,669 104.192,670 29.963,671 221.903,672 5.739,673 16.793,674 5.069,676 101.074,677 16.957,679 117.711,680 117.711,681 35.702,682 104.192,683 117.711,684 104.192,686 10.808,687 24.894,689 117.711,690 109.931,691 29.963,692 117.711,693 13.17,694 22.531,696 104.192,697 117.711,698 109.931,699 29.963,700 0.555,701 0.228,702 0.106,703 0.053,704 3,705 3,706 0.238,707 5,710 2.182,711 46.263,714 36.054,715 10.234,716 4.96,717 7.127,719 109.931,722 42.683,723 257.605,724 12,725 20.599,727 -1.53,728 22.829,729 25.412,730 0.372,731 0.58,732 0.699,733 0.74,734 0.781,735 0.781,736 3.714,737 -1,738 4.443,739 -2,740 3.219,741 3.497,742 3.37,743 5.004,744 3.164,745 4.844,746 -1.629,747 5.872,748 -2.518,749 2.944,750 3.434,751 3.04,752 5.533,753 2.855,754 6.071,755 -1.892,756 7.386,757 -4.135,758 4.575,759 5.153,760 5.085,761 8.288,762 4.458,763 7.312,765 8.937,766 -5.187,767 4.875,768 5.707,769 5.235,770 9.403,771 4.721,772 8.569,774 10.507,776 6.138,777 7.031,778 7.001,779 11.777,780 5.957,781 9.835,783 12.09,785 6.701,786 7.843,787 7.407,788 13.184,789 6.482,790 11.107,792 13.681,794 7.8,795 9.012,796 9.004,797 15.369,798 7.555,799 2.516,801 15.28,803 8.507,804 9.946,805 9.581,806 16.956,807 8.223,808 2.18,809 6.585,810 16.885,812 9.522,813 11.049,814 11.053,815 19.027,816 9.209,817 1.795,818 5.141,819 18.496,820 2.912,821 10.314,822 12.042,823 11.757,824 20.727,825 9.963,826 0.495,827 4.181,828 20.111,829 2.642,830 11.282,831 13.115,832 13.132,833 22.728,834 10.902,835 -0.466,836 1.057,837 21.73,838 1.956,839 12.125,840 14.138,841 13.932,842 24.498,843 11.706,844 -1,845 -1.123,846 23.353,847 0.548,848 13.068,849 15.2,850 15.232,851 26.455,852 12.62,853 -1,854 -2,855 24.979,856 -0.522,857 13.941,858 16.238,859 16.105,860 28.269,861 13.455,862 669,863 1550,864 5.375,865 12.631,866 14.245,867 15.781,868 14.514,869 14.026,870 13.973,871 16.118,872 13.79,873 33.927,874 13.577,875 4.625,876 5.698,877 4.553,878 4.433,879 4.408,880 4.912,881 5.449,882 11.773,883 4.28,884 7.849,885 1.424,886 1.578,887 1.451,888 1.403,889 1.397,890 1.612,891 1.379,892 3.393,893 1.358,894 3.734,895 3.763,896 3.649,897 3.519,898 7.475,899 3.539,900 3.512,901 3.585,902 3.392,903 3.215,904 7.432,905 3.237,906 3.217,907 3.211,908 3.119,909 2.888,910 6.351,911 2.95,912 2.874,913 3.009,914 2.499,915 2.618,916 4.579,917 2.57,918 2.643,919 2.671,920 2.458,921 2.202,922 3.817,923 2.271,924 2.118,925 2.237,926 1.817,927 1.642,928 3.559,929 1.632,930 1.935,931 1.991,932 1.706,933 1.284,934 3.467,935 1.373,936 1.812,937 1.839,938 1.541,939 1.144,940 2.573,941 1.278,942 0.374,943 0.434,944 0.522,945 0.349,946 0.252,947 3.743,948 0.291,949 4.341,950 0.294,951 5.217,952 0.659,953 3.49,954 0.243,955 2.516,956 2.912,957 2.938,958 6.585,959 2.433,960 1.637,961 1.604,962 1.844,963 1.883,964 1.093,965 1.863,966 1.434,967 1.345,968 1.745,969 1.74,970 0.798,971 1.741,972 1.024,973 1.026,974 1.417,975 1.394,976 0.469,977 1.321,978 0.934,979 0.804,980 1.198,981 1.239,982 0.223,983 1.308,984 0.434,985 0.41,986 0.751,987 0.926,989 0.871,990 0.051,992 0.511,993 0.546,995 0.568,998 0.153,999 0.318,1001 0.261,1005 0.113,1008 3.045,1009 4.234,1010 5.541,1011 6.905,1012 8.302,1013 3.108,1015 8.175,1016 -0.278,1018 4.532,1020 1.226,1022 12.515,1023 36.544,1024 56.888,1025 68.598,1026 72.598,1027 76.598,1028 76.598,1029 31.548,1030 4.205,1031 66.84,1032 66.84,1034 10.282,1035 1.585,1036 1.585,1037 32.009,1038 24,1039 18,1040 0.688,1041 85.249,1042 153.24,1043 199.767,1044 184,1045 8.853,1046 0.805,1047 0.594,1048 8.853,1049 6.533,1050 5.02,1051 0.502,1052 0.312,1053 3.015,1054 4.547,1055 2.883,1056 2.45,1057 5.02,1058 3.12,1059 4.706,1060 0.392,1061 0.181,1062 4.706,1063 2.169,1064 2.111,1065 0.235,1066 0.092,1067 2.111,1068 0.827,1069 1.54,1070 0.171,1071 0.051,1072 1.54,1073 0.458,1074 0.873,1075 0.125,1076 0.029,1077 0.873,1078 0.201,1079 1.053,1080 33.448,1081 0.431,1082 11.542,1083 1.895,1084 44,1085 247.001,1086 56.375,1087 220.798,1088 267.6,1089 200,1090 43,1091 173.622,1092 52.584,1093 166.511,1094 226.36,1095 152,1096 5.161} {0 CHEMBL222824,1 1.494,2 5.727,3 -0.653,4 0.427,5 36.983,6 7.532,8 3.093,9 3.185,10 2.58,11 2.519,12 4.414,13 2.519,14 3.587,15 3.756,16 2.842,17 2.766,18 5.031,19 2.736,20 3.826,21 3.993,22 2.67,23 2.748,24 5.236,25 2.72,26 3.688,27 3.909,28 2.641,29 2.57,30 5.213,31 2.54,32 3.45,33 3.629,34 2.484,35 2.334,36 5.224,37 2.318,38 3.247,39 3.461,40 1.992,41 2.045,42 4.612,43 2.009,44 2.893,45 3.129,46 2.029,47 1.61,48 4.888,49 1.621,50 2.37,51 2.52,52 0.625,53 0.952,54 3.892,55 0.948,56 0.104,57 0.246,58 4.091,59 2.012,60 26.763,61 2.427,62 0.256,63 0.341,64 7.779,65 2.866,66 63.929,67 3.934,68 0.515,69 0.347,70 11.245,71 2.807,72 121.291,73 3.775,74 0.438,75 0.293,76 10.089,77 2.448,78 101.266,79 3.65,80 0.424,81 0.226,82 7.769,83 1.869,84 99.757,85 2.704,86 0.293,87 0.168,88 6.592,89 1.38,90 64.319,91 2.053,92 0.273,93 0.106,94 4.689,95 0.901,96 58.991,97 1.542,98 0.193,99 0.044,100 2.883,101 0.314,102 39.473,103 0.412,104 37,105 12,106 0.33,107 0.578,108 0.795,109 0.858,110 0.858,111 0.858,112 2.513,113 0.975,114 -1.11,115 -1.2,116 -1.29,117 33.3,118 1,119 3,127 2,128 1,137 1,139 5,140 1,141 1,142 2,144 2,147 1,148 1,150 1,151 2,152 1,155 1,156 1,158 1,159 2,161 1,163 1,165 1,169 1,176 1,177 1,178 1,179 1,180 1,192 104,193 6.552,194 6.552,195 6.552,196 6.552,197 6.552,198 5.983,199 6.673,200 4.123,201 6.469,202 4.933,203 4.933,204 4.933,205 4.933,206 4.933,207 4.015,208 4.9,209 1.99,210 4.79,211 2.899,212 1.775,213 0.798,214 0.512,215 0.512,216 0.512,217 3.06,218 109,219 3.464,222 1.025,223 24.232,224 0.83,225 1,226 1,227 1,228 1,229 0.95,230 26,231 63,232 3.802,233 3.778,234 5.217,235 3.559,236 2.516,237 3.007,238 2.414,239 6.585,240 2.616,241 3.53,242 3.591,243 4.646,244 3.199,245 2.18,246 2.693,247 2.341,248 5.141,249 2.197,250 3.253,251 3.371,252 4.242,253 2.863,254 1.795,255 2.352,256 2.006,257 4.181,258 1.897,259 1.734,260 1.305,261 2.752,262 1.521,263 0.495,264 0.554,266 1.057,267 0.501,268 1,269 1.005,270 2,271 0.611,272 -0.466,273 -0.548,274 -0.327,275 -1.123,276 -0.491,277 0.544,278 0.551,279 1.478,280 0.105,281 -1,282 -1.138,283 -0.757,284 -2,285 -0.928,286 0.389,287 0.238,288 1,289 0.094,290 -1,291 -1.397,292 -0.964,293 -2,294 -1.094,295 0.138,296 -0.111,297 1,298 -0.06,299 -1,300 -1.523,301 -1.407,302 -2.518,303 -1.103,304 -0.518,305 -0.873,306 1,307 -0.602,308 -1.629,309 -2,310 -1.584,311 -4.135,312 -1.693,313 -0.872,314 -1.395,315 0.665,316 -0.891,317 -1.892,318 -2,319 -1.721,320 -5.187,321 -1.902,363 4.833,364 0.439,365 0.394,366 0.036,367 10.5,368 0.955,369 4.5,370 0.409,371 6,372 0.545,373 7.096,374 0.645,375 13.767,376 0.656,377 7.048,378 0.641,379 2.329,380 0.212,381 2.691,382 0.245,383 0.379,385 0.31,386 0.695,387 1.393,388 0.808,389 1.379,390 0.669,391 1.174,392 0.469,393 1.386,394 0.701,395 1.382,396 0.511,397 1.17,398 1.486,399 0.993,400 1.407,401 1.003,402 1.525,403 1.149,404 0.903,405 0.869,406 0.836,407 0.859,408 0.888,409 0.827,410 0.897,411 0.994,412 0.998,413 1.008,414 0.953,415 1.036,416 1.374,417 0.839,418 1.197,419 0.834,420 1.342,421 0.929,422 0.326,423 0.804,424 0.378,425 0.79,426 0.273,427 0.633,428 2.984,429 0.267,430 2.484,431 0.313,432 2.748,433 1.068,434 3.5,436 0.889,437 0.625,438 0.4,439 0.111,440 0.163,444 526,445 2859,446 1.63,447 47.6,449 1,450 9,452 1.419,453 1.467,454 2.616,455 -0.031,456 31.368,457 1.494,458 2.617,459 3.594,460 3.88,461 3.88,462 3.88,463 1.936,464 2.914,465 3.43,466 2.71,467 149.026,468 5.563,469 1023.63,470 92.239,471 1.539,472 3.309,473 0.35,475 0.074,476 0.069,477 0.044,478 0.016,479 0.041,483 0.595,484 0.5,485 1,486 1.859,487 38.386,488 -0.076,489 -0.025,490 -0.057,491 -0.024,492 -0.06,493 -0.032,494 0.189,495 -0.251,496 0.136,497 -0.238,498 0.152,499 -0.097,500 -0.406,501 -0.047,502 -0.446,503 -0.073,504 -0.403,505 -0.244,506 0.014,507 0.012,508 0.139,509 0.035,510 0.031,511 0.12,512 0.157,513 -0.088,514 -0.014,515 -0.107,516 0.129,517 -0.124,518 -0.31,519 -0.022,520 -0.185,521 -0.014,522 -0.303,523 -0.045,524 0.699,525 -0.064,526 0.682,527 -0.029,528 0.706,529 0.266,530 -1.123,531 0.318,532 -1.28,533 0.216,534 -1.014,535 -0.47,536 2.679,537 3.674,539 5.851,540 1.035,541 1.139,542 -0.121,543 0.015,544 0.601,545 2.398,546 2.565,547 2.303,548 2.303,549 2.079,550 1.609,551 1.609,555 3.809,556 0.595,557 158.17,558 2.398,559 3.807,560 4.466,561 5.242,562 5.927,563 6.701,564 7.399,565 8.168,566 8.875,567 9.639,579 21,580 3,582 10,583 20,584 7,591 1,592 3,593 3,594 4,595 3,596 3,598 3,599 10,600 4,601 1,602 4,608 4,611 2,616 1,618 1,619 11,621 1,622 3,628 19,630 3,632 7.5,633 3.95,634 2.583,635 1.175,636 0.4,637 1.095,638 0.793,639 4.312,640 4.605,641 2.639,642 2.944,643 2.639,644 2.833,645 2.639,646 1.946,647 2.303,651 0.75,652 9,653 4.049,654 -0.011,655 1.589,656 0.026,657 9,658 7.023,659 -0.005,660 4.939,661 0.015,663 3.5,664 38.5,665 0.004,666 105.94,667 27.606,669 118.118,670 27.606,671 224.058,673 8.825,674 7.604,676 129.295,679 105.94,680 105.94,681 27.606,682 118.118,683 105.94,684 118.118,686 16.429,687 11.177,689 105.94,690 118.118,691 27.606,692 105.94,693 18.78,694 8.825,696 118.118,697 105.94,698 118.118,699 27.606,700 0.555,701 0.228,702 0.106,703 0.053,704 3,705 3,706 0.25,707 5,710 2.182,711 46.263,714 38.054,715 9.987,716 4.749,717 6.877,719 118.118,722 42.683,723 251.664,724 13,725 30.957,727 -1.54,728 21.727,729 23.914,730 0.34,731 0.596,732 0.818,733 0.883,734 0.883,735 0.883,736 3.784,737 -1,738 4.443,739 -2,740 3.219,741 3.611,742 3.234,743 5.004,744 3.278,745 4.942,746 -1.629,747 5.872,748 -2.518,749 2.944,750 3.611,751 3.124,752 5.533,753 3.052,754 6.19,755 -1.892,756 7.386,757 -4.135,758 4.575,759 5.342,760 4.619,761 8.288,762 4.693,763 7.452,765 8.937,766 -5.187,767 4.875,768 5.943,769 5.037,770 9.403,771 5.054,772 8.727,774 10.507,776 6.138,777 7.273,778 6.172,779 11.777,780 6.32,781 10.009,783 12.09,785 6.701,786 8.12,787 6.817,788 13.184,789 6.948,790 11.295,792 13.681,794 7.8,795 9.301,796 7.804,797 15.369,798 8.055,799 2.516,801 15.28,803 8.507,804 10.263,805 8.557,806 16.956,807 8.826,808 2.18,809 6.585,810 16.885,812 9.522,813 11.383,814 9.479,815 19.027,816 9.855,817 1.795,818 5.141,819 18.496,820 3.007,821 10.314,822 12.404,823 10.286,824 20.727,825 10.707,826 0.495,827 4.181,828 20.111,829 2.693,830 11.282,831 13.499,832 11.177,833 22.728,834 11.699,835 -0.466,836 1.057,837 21.73,838 2.352,839 12.125,840 14.551,841 12.013,842 24.498,843 12.597,844 -1,845 -1.123,846 23.353,847 0.554,848 13.068,849 15.638,850 12.89,851 26.455,852 13.57,853 -1,854 -2,855 24.979,856 -0.548,857 13.941,858 16.706,859 13.741,860 28.269,861 14.494,862 669,863 1595,864 5.375,865 12.625,866 14.238,867 14.924,868 14.514,869 13.964,870 13.973,871 17.212,872 13.521,873 33.927,874 14.422,875 4.675,876 5.174,877 4.553,878 4.45,879 4.408,880 5.007,881 4.135,882 11.773,883 4.518,884 7.849,885 1.424,886 1.492,887 1.451,888 1.396,889 1.397,890 1.721,891 1.352,892 3.393,893 1.442,894 3.793,895 3.819,896 3.704,897 3.631,898 7.475,899 3.641,900 3.548,901 3.576,902 3.452,903 3.34,904 7.441,905 3.355,906 3.216,907 3.233,908 3.124,909 2.929,910 7.412,911 2.966,912 2.772,913 2.856,914 2.511,915 2.46,916 6.351,917 2.46,918 2.453,919 2.49,920 2.231,921 2.015,922 3.864,923 2.071,924 2.141,925 2.23,926 1.843,927 1.676,928 3.717,929 1.691,930 2.019,931 2.063,932 1.791,933 1.47,934 3.218,935 1.516,936 1.912,937 1.982,938 1.543,939 1.282,940 2.557,941 1.366,942 0.38,943 0.378,944 0.522,945 0.356,946 0.252,947 3.802,948 0.301,949 3.778,950 0.241,951 5.217,952 0.659,953 3.559,954 0.262,955 2.516,956 3.007,957 2.414,958 6.585,959 2.616,960 1.729,961 1.699,962 1.919,963 1.918,964 1.158,965 1.915,966 1.484,967 1.445,968 1.735,969 1.72,970 0.875,971 1.718,972 1.096,973 1.061,974 1.398,975 1.411,976 0.516,977 1.39,978 0.717,979 0.641,980 1.067,981 1.088,982 0.151,983 1.094,984 0.275,985 0.227,986 0.722,987 0.75,989 0.736,990 0.021,992 0.277,993 0.52,995 0.472,998 0.174,999 0.364,1001 0.303,1004 0.152,1005 0.305,1007 0.257,1008 3.045,1009 4.234,1010 5.541,1011 6.905,1012 8.302,1013 1.304,1015 8.159,1016 -0.381,1022 12.493,1023 31.368,1024 54.954,1025 75.484,1026 81.484,1027 81.484,1028 81.484,1029 44.954,1030 4.205,1031 71.44,1032 71.44,1034 10.282,1035 2,1036 2,1037 32.009,1038 24,1039 18,1040 0.688,1041 85.12,1042 156.9,1043 199.452,1044 184,1045 8.853,1046 0.805,1047 0.572,1048 8.853,1049 6.293,1050 5.02,1051 0.502,1052 0.325,1053 3.193,1054 4.72,1055 3.076,1056 2.564,1057 5.02,1058 3.25,1059 4.706,1060 0.392,1061 0.193,1062 4.706,1063 2.311,1064 2.111,1065 0.235,1066 0.118,1067 2.111,1068 1.064,1069 1.54,1070 0.171,1071 0.068,1072 1.54,1073 0.612,1074 0.873,1075 0.125,1076 0.041,1077 0.873,1078 0.288,1079 1.053,1080 32.428,1081 0.431,1082 11.542,1083 1.895,1084 44,1085 237.356,1086 52.636,1087 216.091,1088 252.46,1089 194,1090 43,1091 145.939,1092 48.648,1093 143.454,1094 194.02,1095 132,1096 5.638} {0 CHEMBL51979,1 1.772,2 4.889,3 -1.369,4 1.874,5 27.124,6 8.32,8 2.893,9 2.985,10 2.431,11 2.126,12 4.398,13 2.205,14 3.27,15 3.407,16 2.631,17 2.346,18 4.911,19 2.382,20 3.51,21 3.692,22 2.484,23 2.292,24 5.099,25 2.325,26 3.306,27 3.492,28 2.195,29 1.974,30 4.787,31 2.051,32 2.974,33 3.159,34 2.252,35 1.567,36 5.058,37 1.687,38 2.492,39 2.638,40 1.626,41 1.044,42 4.656,43 1.16,44 1.729,45 1.923,46 0.295,47 0.509,48 3.045,49 0.491,50 0.635,51 0.899,52 0.007,53 0.135,54 0.693,55 0.067,56 0.206,57 0.169,58 3.136,59 1.114,60 33.69,61 1.413,62 0.335,63 0.2,64 5.121,65 1.528,66 61.594,67 2.29,68 0.567,69 0.173,70 8.286,71 1.361,72 111.267,73 2.361,74 0.478,75 0.115,76 7.054,77 0.823,78 88.868,79 1.576,80 0.385,81 0.064,82 5.182,83 0.589,84 69.612,85 1.25,86 0.285,87 0.029,88 3.202,89 0.254,90 52.864,91 0.556,92 0.113,93 0.009,94 1.538,95 0.1,96 20.62,97 0.229,98 0.016,99 0.002,100 0.37,101 0.036,102 2.607,103 0.108,104 25,105 9,106 0.433,107 0.765,108 0.856,109 0.917,110 0.917,111 0.856,112 2.342,113 0.867,114 -0.5,115 -0.62,116 -0.77,117 25,119 2,128 2,135 1,137 1,139 2,140 2,141 2,144 2,146 1,147 3,152 1,153 1,154 1,158 1,161 2,162 1,164 1,171 1,172 1,192 55,193 5.56,194 5.56,195 5.56,196 5.56,197 5.56,198 5.199,199 6.327,200 3.483,201 5.611,202 3.86,203 3.86,204 3.86,205 3.86,206 3.86,207 3.215,208 4.037,209 1.597,210 3.856,211 2.228,212 0.875,213 0.5,214 0.25,215 0.25,216 0.5,217 2.862,218 74,219 3,222 0.815,223 19.403,224 0.83,225 0.9,226 0.5,227 1,228 1,229 0.87,230 22.5,231 44,232 3.691,233 3.869,234 5.03,235 3.421,236 2.406,237 2.869,238 2.341,239 6.017,240 2.425,241 3.459,242 3.591,243 4.562,244 3.087,245 2.075,246 2.613,247 2.071,248 4.906,249 2.071,250 1.784,251 3.082,252 2.865,253 1.668,254 0.676,255 0.705,256 0.589,257 1.249,258 0.665,259 1.449,260 1.305,261 2,262 1.169,263 0.113,264 0.133,266 0.16,267 0.118,268 0.547,269 0.579,270 1.421,271 0.106,272 -1,273 -1.104,274 -0.757,275 -2,276 -0.923,277 0.212,278 0.092,279 1,280 -0.055,281 -1,282 -1.483,283 -1.09,284 -2.445,285 -1.1,286 -0.317,287 -0.517,288 0.684,289 -0.439,290 -1.424,291 -1.733,292 -1.57,293 -3.212,294 -1.411,295 -0.825,296 -1.381,297 0.438,298 -0.859,299 -1.846,300 -2,301 -1.584,302 -4.674,303 -1.844,363 3.733,364 0.415,365 0.25,366 0.028,367 8.25,368 0.917,369 3,370 0.333,371 5.25,372 0.583,373 4.838,374 0.538,375 11.867,376 0.742,377 5.584,378 0.62,379 2.047,380 0.227,381 2.117,382 0.235,383 0.357,385 0.268,386 0.9,387 1.385,388 0.831,389 1.274,390 0.845,391 1.036,392 0.57,393 1.583,394 0.784,395 1.639,396 0.593,397 1.352,398 1.119,399 1.026,400 1.132,401 1.032,402 1.159,403 1.08,404 1.519,405 0.906,406 1.306,407 0.825,408 1.484,409 0.936,410 0.541,411 0.602,412 0.563,413 0.679,414 0.578,415 0.658,416 1.016,417 0.287,418 1.153,419 0.366,420 1,421 0.772,422 2.052,424 1.814,425 0.029,426 1.921,427 0.759,434 2.5,436 0.889,437 0.25,438 0.32,439 0.111,444 280,445 2038,446 1.608,447 43.8,449 3,450 4,452 1.342,453 1.459,454 2.432,455 2.042,456 28.349,457 1.772,458 3.125,459 3.5,460 3.75,461 3.75,462 3.5,463 1.891,464 2.725,465 3.141,466 2.464,467 88.717,468 4.966,469 516.494,470 64,471 1.53,472 3.031,473 0.313,475 0.099,476 0.036,477 0.064,478 0.022,483 0.533,484 0.67,485 1,486 1.837,487 28.078,488 -0.168,489 0.153,490 -0.109,491 0.136,492 -0.152,493 0.049,494 0.163,495 -0.256,496 0.004,497 -0.349,498 0.134,499 -0.267,500 -0.204,501 -0.134,502 -0.196,503 -0.113,504 -0.199,505 -0.139,506 -0.52,507 -0.162,508 -0.321,509 -0.067,510 -0.466,511 -0.081,512 0.542,513 0.029,514 0.518,515 -0.022,516 0.471,517 0.188,518 0.289,519 0.173,520 -0.031,521 0.12,522 0.288,523 -0.076,524 -0.805,525 0.243,526 -0.66,527 0.384,528 -0.734,529 -0.037,530 0.609,531 0.236,532 1.227,533 0.543,534 0.497,535 1.14,536 2.724,537 3.092,539 4.123,540 1.066,541 1.161,542 -0.735,543 0.54,544 0.569,545 2.197,546 2.303,547 2.079,548 1.792,549 1.792,550 1.099,555 3.266,556 0.591,557 133.12,558 2.197,559 3.555,560 4.205,561 4.934,562 5.617,563 6.344,564 7.038,565 7.761,566 8.461,567 9.18,568 6.3,572 1,579 16,580 2,582 8,583 15,584 4,592 2,593 2,594 2,595 2,596 2,598 2,599 7,600 5,601 3,602 5,603 1,608 4,614 1,616 2,619 9,621 2,622 2,623 1,628 25,629 1,630 2,632 6.167,633 2.483,634 2.25,635 0.746,636 0.314,637 1.082,638 0.735,639 3.793,640 4.143,641 2.398,642 2.639,643 2.398,644 2.079,645 2.398,646 1.386,651 1,652 7,653 3.239,654 -0.037,655 1.24,656 0.083,657 9.37,658 5.387,659 -0.02,660 3.581,661 0.052,662 0.001,663 3.87,664 34.833,665 0.006,666 47.084,667 10.684,668 14.473,669 135.779,670 10.684,671 182.863,672 14.473,674 19.542,675 42.806,676 98.588,679 47.084,680 47.084,681 25.156,682 135.779,683 47.084,684 92.973,685 42.806,686 19.542,687 5.615,689 47.084,690 150.252,691 10.684,692 47.084,693 10.684,695 14.473,696 135.779,697 47.084,698 150.252,699 10.684,700 0.539,701 0.249,702 0.081,703 0.053,704 2,705 2,706 0.2,707 3,710 1.961,711 32.974,714 28.529,715 8.234,716 4.146,717 5.099,719 150.252,722 99.962,723 208.02,724 10,725 19.85,727 -1.74,728 17.062,729 18.582,730 0.443,731 0.781,732 0.875,733 0.938,734 0.938,735 0.875,736 3.497,737 -1.846,738 4.143,739 -3.212,740 2.944,741 3.296,742 2.882,743 4.654,744 2.949,745 4.615,747 5.557,748 -4.674,749 2.565,750 3.219,751 2.591,752 5.198,753 2.583,754 5.844,756 7.059,758 4.263,759 4.99,760 4.153,761 7.836,762 4.275,763 7.095,765 8.6,767 4.511,768 5.565,769 4.479,770 8.992,771 4.542,772 8.363,774 10.16,776 5.784,777 6.889,778 5.624,779 11.201,780 5.808,781 9.638,783 11.731,785 6.304,786 7.715,787 6.212,788 12.615,789 6.348,790 10.917,792 13.308,794 7.392,795 8.872,796 7.185,797 14.646,798 7.431,799 2.406,801 14.891,803 8.054,804 9.807,805 7.897,806 16.203,807 8.111,808 2.075,809 6.017,810 16.477,812 9.047,813 10.896,814 8.792,815 18.138,816 9.102,817 0.676,818 4.906,819 18.065,820 2.869,821 9.789,822 11.883,823 9.566,824 19.782,825 9.861,826 0.113,827 1.249,828 19.656,829 2.613,830 10.73,831 12.942,832 10.427,833 21.662,834 10.803,835 -1,836 0.16,837 21.249,838 0.705,839 11.523,840 13.954,841 11.232,842 23.362,843 11.61,844 -1,845 -2,846 22.844,847 0.133,848 12.435,849 15.001,850 12.079,851 25.208,852 12.525,853 -1.424,854 -2.445,855 24.44,856 -1.104,857 13.258,858 16.026,859 12.901,860 26.943,861 13.361,862 377,863 1050,864 4.277,865 9.108,866 10.767,867 13.119,868 11.414,869 10.592,870 10.539,871 12.642,872 10.002,873 24.662,874 10.557,875 4.516,876 5.25,877 4.592,878 4.28,879 4.253,880 4.869,881 3.925,882 10.691,883 4.269,884 5.952,885 1.346,886 1.64,887 1.427,888 1.324,889 1.317,890 1.58,891 1.25,892 3.083,893 1.32,894 3.725,895 3.757,896 3.636,897 3.523,898 7.475,899 3.54,900 3.352,901 3.364,902 3.298,903 2.984,904 7.431,905 3.059,906 2.852,907 2.905,908 2.671,909 2.368,910 6.493,911 2.437,912 2.46,913 2.491,914 2.293,915 1.901,916 6.351,917 1.988,918 2.085,919 2.184,920 1.808,921 1.571,922 3.782,923 1.583,924 1.923,925 1.989,926 1.546,927 1.283,928 3.186,929 1.368,930 1.705,931 1.86,932 1.274,933 1.087,934 2.529,935 1.095,936 0.941,937 1.207,938 0.083,939 0.38,940 1.143,941 0.262,942 0.461,943 0.484,944 0.629,945 0.428,946 0.301,947 3.691,948 0.359,949 3.869,950 0.293,951 5.03,952 0.752,953 3.421,954 0.303,955 2.406,956 2.869,957 2.341,958 6.017,959 2.425,960 1.643,961 1.606,962 1.847,963 1.873,964 1.099,965 1.858,966 1.132,967 1.117,968 1.3,969 1.544,970 0.26,971 1.463,972 0.641,973 0.577,974 0.977,975 1.154,977 1.099,978 0.238,979 0.169,980 0.719,981 0.779,983 0.748,986 0.462,987 0.5,989 0.498,992 0.156,993 0.317,995 0.263,998 0.148,999 0.203,1001 0.206,1008 2.833,1009 3.97,1010 5.252,1011 6.586,1012 7.947,1015 15.851,1016 -0.446,1017 1.318,1022 9.461,1023 28.349,1024 50,1025 56,1026 60,1027 60,1028 56,1029 25.283,1030 3.829,1031 86.63,1032 86.63,1034 9.853,1035 1.585,1036 1.585,1037 22.718,1038 17,1039 13,1040 0.726,1041 66.064,1042 118.64,1043 152.957,1044 104,1045 7.276,1046 0.808,1047 0.514,1048 7.276,1049 4.625,1050 4.164,1051 0.52,1052 0.289,1053 2.239,1054 3.783,1055 2.228,1056 1.85,1057 4.164,1058 2.313,1059 3.485,1060 0.387,1061 0.159,1062 3.485,1063 1.429,1064 1.934,1065 0.276,1066 0.099,1067 1.934,1068 0.691,1069 0.822,1070 0.164,1071 0.055,1072 0.822,1073 0.276,1074 0.687,1075 0.137,1076 0.025,1077 0.687,1078 0.125,1079 1.085,1080 27.98,1081 0.484,1082 9.314,1083 2.027,1084 34,1085 220.103,1086 43.469,1087 199.403,1088 232.9,1089 178,1090 33,1091 140.082,1092 40.035,1093 134.688,1094 181.82,1095 124,1096 5.77}