@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4281

@attribute molecule_id {CHEMBL1159972,CHEMBL148649,CHEMBL148674,CHEMBL280817,CHEMBL31185,CHEMBL332993,CHEMBL33408,CHEMBL34162,CHEMBL446349,CHEMBL478820,CHEMBL478821,CHEMBL479251,CHEMBL504813,CHEMBL506485,CHEMBL514692,CHEMBL514705,CHEMBL514841,CHEMBL515637,CHEMBL517821}
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.013 numeric
@attribute C.016 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.038 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AN numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AN numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_03_NN numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AN numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DN numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_04_PN numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DP numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL numeric
@attribute CATS2D_05_NN numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AN numeric
@attribute CATS2D_06_AP numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DN numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_DN numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_07_PN numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AN numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DN numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_08_PN numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AP numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_DP numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL numeric
@attribute CATS2D_09_PL numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_07 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.ed. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_alpha_A numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute Eta_beta numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP numeric
@attribute Eta_betaP_A numeric
@attribute Eta_betaS numeric
@attribute Eta_betaS_A numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute Eta_epsi numeric
@attribute Eta_epsi_A numeric
@attribute Eta_F numeric
@attribute Eta_F_A numeric
@attribute Eta_FL numeric
@attribute Eta_FL_A numeric
@attribute Eta_L numeric
@attribute Eta_L_A numeric
@attribute Eta_sh_p numeric
@attribute Eta_sh_x numeric
@attribute Eta_sh_y numeric
@attribute F.083 numeric
@attribute GATS1e numeric
@attribute GATS1i numeric
@attribute GATS1m numeric
@attribute GATS1p numeric
@attribute GATS1s numeric
@attribute GATS1v numeric
@attribute GATS2e numeric
@attribute GATS2i numeric
@attribute GATS2m numeric
@attribute GATS2p numeric
@attribute GATS2s numeric
@attribute GATS2v numeric
@attribute GATS3e numeric
@attribute GATS3i numeric
@attribute GATS3m numeric
@attribute GATS3p numeric
@attribute GATS3s numeric
@attribute GATS3v numeric
@attribute GATS4e numeric
@attribute GATS4i numeric
@attribute GATS4m numeric
@attribute GATS4p numeric
@attribute GATS4s numeric
@attribute GATS4v numeric
@attribute GATS5e numeric
@attribute GATS5i numeric
@attribute GATS5m numeric
@attribute GATS5p numeric
@attribute GATS5s numeric
@attribute GATS5v numeric
@attribute GATS6e numeric
@attribute GATS6i numeric
@attribute GATS6m numeric
@attribute GATS6p numeric
@attribute GATS6s numeric
@attribute GATS6v numeric
@attribute GATS7e numeric
@attribute GATS7i numeric
@attribute GATS7m numeric
@attribute GATS7p numeric
@attribute GATS7s numeric
@attribute GATS7v numeric
@attribute GATS8e numeric
@attribute GATS8i numeric
@attribute GATS8m numeric
@attribute GATS8p numeric
@attribute GATS8s numeric
@attribute GATS8v numeric
@attribute GGI1 numeric
@attribute GGI10 numeric
@attribute GGI2 numeric
@attribute GGI3 numeric
@attribute GGI4 numeric
@attribute GGI5 numeric
@attribute GGI6 numeric
@attribute GGI7 numeric
@attribute GGI8 numeric
@attribute GGI9 numeric
@attribute GMTI numeric
@attribute GMTIV numeric
@attribute GNar numeric
@attribute H. numeric
@attribute H.046 numeric
@attribute H.047 numeric
@attribute H.048 numeric
@attribute H.050 numeric
@attribute H.051 numeric
@attribute H.052 numeric
@attribute HDcpx numeric
@attribute HNar numeric
@attribute HVcpx numeric
@attribute Hy numeric
@attribute Hypertens.50 numeric
@attribute Hypertens.80 numeric
@attribute Hypnotic.80 numeric
@attribute IAC numeric
@attribute IC0 numeric
@attribute IC1 numeric
@attribute IC2 numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute ICR numeric
@attribute IDDE numeric
@attribute IDDM numeric
@attribute IDE numeric
@attribute IDET numeric
@attribute IDM numeric
@attribute IDMT numeric
@attribute Infective.80 numeric
@attribute Inflammat.80 numeric
@attribute ISIZ numeric
@attribute IVDE numeric
@attribute IVDM numeric
@attribute JGI1 numeric
@attribute JGI10 numeric
@attribute JGI2 numeric
@attribute JGI3 numeric
@attribute JGI4 numeric
@attribute JGI5 numeric
@attribute JGI6 numeric
@attribute JGI7 numeric
@attribute JGI8 numeric
@attribute JGI9 numeric
@attribute JGT numeric
@attribute LLS_01 numeric
@attribute LLS_02 numeric
@attribute LOC numeric
@attribute LPRS numeric
@attribute MATS1e numeric
@attribute MATS1i numeric
@attribute MATS1m numeric
@attribute MATS1p numeric
@attribute MATS1s numeric
@attribute MATS1v numeric
@attribute MATS2e numeric
@attribute MATS2i numeric
@attribute MATS2m numeric
@attribute MATS2p numeric
@attribute MATS2s numeric
@attribute MATS2v numeric
@attribute MATS3e numeric
@attribute MATS3i numeric
@attribute MATS3m numeric
@attribute MATS3p numeric
@attribute MATS3s numeric
@attribute MATS3v numeric
@attribute MATS4e numeric
@attribute MATS4i numeric
@attribute MATS4m numeric
@attribute MATS4p numeric
@attribute MATS4s numeric
@attribute MATS4v numeric
@attribute MATS5e numeric
@attribute MATS5i numeric
@attribute MATS5m numeric
@attribute MATS5p numeric
@attribute MATS5s numeric
@attribute MATS5v numeric
@attribute MATS6e numeric
@attribute MATS6i numeric
@attribute MATS6m numeric
@attribute MATS6p numeric
@attribute MATS6s numeric
@attribute MATS6v numeric
@attribute MATS7e numeric
@attribute MATS7i numeric
@attribute MATS7m numeric
@attribute MATS7p numeric
@attribute MATS7s numeric
@attribute MATS7v numeric
@attribute MATS8e numeric
@attribute MATS8i numeric
@attribute MATS8m numeric
@attribute MATS8p numeric
@attribute MATS8s numeric
@attribute MATS8v numeric
@attribute MAXDN numeric
@attribute MAXDP numeric
@attribute MCD numeric
@attribute MDDD numeric
@attribute Me numeric
@attribute Mi numeric
@attribute MLOGP numeric
@attribute MLOGP2 numeric
@attribute Mp numeric
@attribute MPC01 numeric
@attribute MPC02 numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute MPC05 numeric
@attribute MPC06 numeric
@attribute MPC07 numeric
@attribute MPC08 numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute MSD numeric
@attribute Mv numeric
@attribute MW numeric
@attribute MWC01 numeric
@attribute MWC02 numeric
@attribute MWC03 numeric
@attribute MWC04 numeric
@attribute MWC05 numeric
@attribute MWC06 numeric
@attribute MWC07 numeric
@attribute MWC08 numeric
@attribute MWC09 numeric
@attribute MWC10 numeric
@attribute N. numeric
@attribute N.066 numeric
@attribute N.072 numeric
@attribute N.073 numeric
@attribute NaaaC numeric
@attribute NaaCH numeric
@attribute NaasC numeric
@attribute NaasN numeric
@attribute nAB numeric
@attribute nArCO numeric
@attribute nArCOOH numeric
@attribute nArOR 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 nCRX3 numeric
@attribute nCs numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nCt numeric
@attribute nDB numeric
@attribute NddssS numeric
@attribute NdO numeric
@attribute NdsCH numeric
@attribute NdssC numeric
@attribute NdsssP numeric
@attribute Neoplastic.50 numeric
@attribute Neoplastic.80 numeric
@attribute nF numeric
@attribute nH numeric
@attribute nHAcc numeric
@attribute nHDon numeric
@attribute nHet numeric
@attribute nHM numeric
@attribute nN numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nP numeric
@attribute nP..O.O2R numeric
@attribute nPyridines numeric
@attribute nPyrroles numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR09 numeric
@attribute nR10 numeric
@attribute nRCO numeric
@attribute nRCONH2 numeric
@attribute nRCOOH numeric
@attribute nR.Cs numeric
@attribute nRNH2 numeric
@attribute nROH numeric
@attribute nROR numeric
@attribute NRS numeric
@attribute nS numeric
@attribute NsCH3 numeric
@attribute NsF numeric
@attribute nSK numeric
@attribute NsNH2 numeric
@attribute nSO2N numeric
@attribute NsOH numeric
@attribute NssCH2 numeric
@attribute NssNH numeric
@attribute NssO numeric
@attribute NsssCH numeric
@attribute NssssC numeric
@attribute nX numeric
@attribute O. numeric
@attribute O.056 numeric
@attribute O.057 numeric
@attribute O.058 numeric
@attribute O.059 numeric
@attribute O.060 numeric
@attribute ON0 numeric
@attribute ON0V numeric
@attribute ON1 numeric
@attribute ON1V numeric
@attribute P.116 numeric
@attribute P.120 numeric
@attribute PCD numeric
@attribute PCR numeric
@attribute PDI numeric
@attribute PHI numeric
@attribute piID numeric
@attribute piPC01 numeric
@attribute piPC02 numeric
@attribute piPC03 numeric
@attribute piPC04 numeric
@attribute piPC05 numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute PJI2 numeric
@attribute Pol numeric
@attribute Psi_e_0 numeric
@attribute Psi_e_1 numeric
@attribute Psi_e_A numeric
@attribute Psi_i_0 numeric
@attribute Psi_i_1 numeric
@attribute Psi_i_A numeric
@attribute Psi_i_s numeric
@attribute Psychotic.50 numeric
@attribute Psychotic.80 numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_e_2 numeric
@attribute P_VSA_e_3 numeric
@attribute P_VSA_e_5 numeric
@attribute P_VSA_e_6 numeric
@attribute P_VSA_i_1 numeric
@attribute P_VSA_i_2 numeric
@attribute P_VSA_i_3 numeric
@attribute P_VSA_i_4 numeric
@attribute P_VSA_LogP_1 numeric
@attribute P_VSA_LogP_2 numeric
@attribute P_VSA_LogP_3 numeric
@attribute P_VSA_LogP_4 numeric
@attribute P_VSA_LogP_5 numeric
@attribute P_VSA_LogP_6 numeric
@attribute P_VSA_LogP_7 numeric
@attribute P_VSA_LogP_8 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_m_2 numeric
@attribute P_VSA_m_3 numeric
@attribute P_VSA_m_4 numeric
@attribute P_VSA_MR_1 numeric
@attribute P_VSA_MR_2 numeric
@attribute P_VSA_MR_3 numeric
@attribute P_VSA_MR_5 numeric
@attribute P_VSA_MR_6 numeric
@attribute P_VSA_MR_7 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_p_4 numeric
@attribute P_VSA_s_1 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_s_3 numeric
@attribute P_VSA_s_4 numeric
@attribute P_VSA_s_5 numeric
@attribute P_VSA_s_6 numeric
@attribute P_VSA_v_1 numeric
@attribute P_VSA_v_2 numeric
@attribute P_VSA_v_3 numeric
@attribute PW2 numeric
@attribute PW3 numeric
@attribute PW4 numeric
@attribute PW5 numeric
@attribute Qindex numeric
@attribute Ram numeric
@attribute RBF numeric
@attribute RBN numeric
@attribute Rbrid numeric
@attribute RCI numeric
@attribute RDCHI numeric
@attribute RDSQ numeric
@attribute RFD numeric
@attribute Rperim numeric
@attribute S0K numeric
@attribute S.110 numeric
@attribute S1K numeric
@attribute S2K numeric
@attribute S3K numeric
@attribute SaaaC numeric
@attribute SAacc numeric
@attribute SaaCH numeric
@attribute SaasC numeric
@attribute SaasN numeric
@attribute SAdon numeric
@attribute SAtot numeric
@attribute SCBO numeric
@attribute SddssS numeric
@attribute SdO numeric
@attribute SdsCH numeric
@attribute SdssC numeric
@attribute SdsssP numeric
@attribute Se numeric
@attribute Si numeric
@attribute SIC0 numeric
@attribute SIC1 numeric
@attribute SIC2 numeric
@attribute SIC3 numeric
@attribute SIC4 numeric
@attribute SIC5 numeric
@attribute SM02_AEA.bo. numeric
@attribute SM02_AEA.dm. numeric
@attribute SM02_AEA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute SM02_EA numeric
@attribute SM02_EA.bo. numeric
@attribute SM02_EA.dm. numeric
@attribute SM02_EA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SM03_AEA.bo. numeric
@attribute SM03_AEA.dm. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute SM03_EA numeric
@attribute SM03_EA.bo. numeric
@attribute SM03_EA.dm. numeric
@attribute SM03_EA.ed. numeric
@attribute SM03_EA.ri. numeric
@attribute SM04_AEA.bo. numeric
@attribute SM04_AEA.dm. numeric
@attribute SM04_AEA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute SM04_EA numeric
@attribute SM04_EA.bo. numeric
@attribute SM04_EA.dm. numeric
@attribute SM04_EA.ed. numeric
@attribute SM04_EA.ri. numeric
@attribute SM05_AEA.bo. numeric
@attribute SM05_AEA.dm. numeric
@attribute SM05_AEA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute SM05_EA numeric
@attribute SM05_EA.bo. numeric
@attribute SM05_EA.dm. numeric
@attribute SM05_EA.ed. numeric
@attribute SM05_EA.ri. numeric
@attribute SM06_AEA.bo. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM06_AEA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute SM06_EA numeric
@attribute SM06_EA.bo. numeric
@attribute SM06_EA.dm. numeric
@attribute SM06_EA.ed. numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_AEA.bo. numeric
@attribute SM07_AEA.dm. numeric
@attribute SM07_AEA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute SM07_EA numeric
@attribute SM07_EA.bo. numeric
@attribute SM07_EA.dm. numeric
@attribute SM07_EA.ed. numeric
@attribute SM07_EA.ri. numeric
@attribute SM08_AEA.bo. numeric
@attribute SM08_AEA.dm. numeric
@attribute SM08_AEA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute SM08_EA numeric
@attribute SM08_EA.bo. numeric
@attribute SM08_EA.dm. numeric
@attribute SM08_EA.ed. numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_AEA.bo. numeric
@attribute SM09_AEA.dm. numeric
@attribute SM09_AEA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SM09_EA numeric
@attribute SM09_EA.bo. numeric
@attribute SM09_EA.dm. numeric
@attribute SM09_EA.ed. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_AEA.bo. numeric
@attribute SM10_AEA.dm. numeric
@attribute SM10_AEA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.bo. numeric
@attribute SM10_EA.dm. numeric
@attribute SM10_EA.ed. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_AEA.bo. numeric
@attribute SM11_AEA.dm. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_AEA.ri. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.bo. numeric
@attribute SM11_EA.dm. numeric
@attribute SM11_EA.ed. numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_AEA.bo. numeric
@attribute SM12_AEA.dm. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_AEA.ri. numeric
@attribute SM12_EA numeric
@attribute SM12_EA.bo. numeric
@attribute SM12_EA.dm. numeric
@attribute SM12_EA.ed. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_AEA.bo. numeric
@attribute SM13_AEA.dm. numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_AEA.ri. numeric
@attribute SM13_EA numeric
@attribute SM13_EA.bo. numeric
@attribute SM13_EA.dm. numeric
@attribute SM13_EA.ed. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_AEA.bo. numeric
@attribute SM14_AEA.dm. numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_AEA.ri. numeric
@attribute SM14_EA numeric
@attribute SM14_EA.bo. numeric
@attribute SM14_EA.dm. numeric
@attribute SM14_EA.ed. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_AEA.bo. numeric
@attribute SM15_AEA.dm. numeric
@attribute SM15_AEA.ed. numeric
@attribute SM15_AEA.ri. numeric
@attribute SM15_EA numeric
@attribute SM15_EA.bo. numeric
@attribute SM15_EA.dm. numeric
@attribute SM15_EA.ed. numeric
@attribute SM15_EA.ri. numeric
@attribute SMTI numeric
@attribute SMTIV numeric
@attribute SNar numeric
@attribute Sp numeric
@attribute SpAD_AEA.bo. numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpAD_AEA.ed. numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpAD_EA numeric
@attribute SpAD_EA.bo. numeric
@attribute SpAD_EA.dm. numeric
@attribute SpAD_EA.ed. numeric
@attribute SpAD_EA.ri. numeric
@attribute SpDiam_AEA.bo. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpDiam_AEA.ed. numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SpDiam_EA numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpDiam_EA.ed. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SPI numeric
@attribute SpMAD_AEA.bo. numeric
@attribute SpMAD_AEA.dm. numeric
@attribute SpMAD_AEA.ed. numeric
@attribute SpMAD_AEA.ri. numeric
@attribute SpMAD_EA numeric
@attribute SpMAD_EA.bo. numeric
@attribute SpMAD_EA.dm. numeric
@attribute SpMAD_EA.ed. numeric
@attribute SpMAD_EA.ri. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax1_Bh.m. numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SpMax1_Bh.v. numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMax2_Bh.i. numeric
@attribute SpMax2_Bh.m. numeric
@attribute SpMax2_Bh.p. numeric
@attribute SpMax2_Bh.s. numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.s. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.m. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax6_Bh.m. numeric
@attribute SpMax6_Bh.p. numeric
@attribute SpMax6_Bh.s. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMax7_Bh.p. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SpMax7_Bh.v. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMax8_Bh.m. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMax_EA numeric
@attribute SpMax_EA.bo. numeric
@attribute SpMax_EA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute SpMax_EA.ri. numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.m. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin1_Bh.s. numeric
@attribute SpMin1_Bh.v. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMin2_Bh.i. numeric
@attribute SpMin2_Bh.m. numeric
@attribute SpMin2_Bh.p. numeric
@attribute SpMin2_Bh.s. numeric
@attribute SpMin2_Bh.v. numeric
@attribute SpMin3_Bh.e. numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMin4_Bh.p. numeric
@attribute SpMin4_Bh.s. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMin5_Bh.m. numeric
@attribute SpMin5_Bh.p. numeric
@attribute SpMin5_Bh.s. numeric
@attribute SpMin5_Bh.v. numeric
@attribute SpMin6_Bh.e. numeric
@attribute SpMin6_Bh.i. numeric
@attribute SpMin6_Bh.m. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin6_Bh.v. numeric
@attribute SpMin7_Bh.e. numeric
@attribute SpMin7_Bh.i. numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMin7_Bh.p. numeric
@attribute SpMin7_Bh.s. numeric
@attribute SpMin7_Bh.v. numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.s. numeric
@attribute SpMin8_Bh.v. numeric
@attribute SRW02 numeric
@attribute SRW04 numeric
@attribute SRW05 numeric
@attribute SRW06 numeric
@attribute SRW07 numeric
@attribute SRW08 numeric
@attribute SRW09 numeric
@attribute SRW10 numeric
@attribute SsCH3 numeric
@attribute SsF numeric
@attribute SsNH2 numeric
@attribute SsOH numeric
@attribute SssCH2 numeric
@attribute SssNH numeric
@attribute SssO numeric
@attribute SsssCH numeric
@attribute SssssC numeric
@attribute Sv numeric
@attribute TIC0 numeric
@attribute TIC1 numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute TIE numeric
@attribute TPC numeric
@attribute TPSA.NO. numeric
@attribute TPSA.Tot. numeric
@attribute TRS numeric
@attribute TWC numeric
@attribute Uc numeric
@attribute Ui numeric
@attribute Uindex numeric
@attribute UNIP numeric
@attribute VAR numeric
@attribute Vindex numeric
@attribute VvdwMG numeric
@attribute VvdwZAZ numeric
@attribute Vx numeric
@attribute Wap numeric
@attribute X. numeric
@attribute X0 numeric
@attribute X0A numeric
@attribute X0Av numeric
@attribute X0sol numeric
@attribute X0v numeric
@attribute X1 numeric
@attribute X1A numeric
@attribute X1Av numeric
@attribute X1Kup numeric
@attribute X1Mad numeric
@attribute X1MulPer numeric
@attribute X1Per numeric
@attribute X1sol numeric
@attribute X1v numeric
@attribute X2 numeric
@attribute X2A numeric
@attribute X2Av numeric
@attribute X2sol numeric
@attribute X2v numeric
@attribute X3 numeric
@attribute X3A numeric
@attribute X3Av numeric
@attribute X3sol numeric
@attribute X3v numeric
@attribute X4 numeric
@attribute X4A numeric
@attribute X4Av numeric
@attribute X4sol numeric
@attribute X4v numeric
@attribute X5 numeric
@attribute X5A numeric
@attribute X5Av numeric
@attribute X5sol numeric
@attribute X5v numeric
@attribute Xindex numeric
@attribute XMOD numeric
@attribute Xt numeric
@attribute Xu numeric
@attribute Yindex numeric
@attribute ZM1 numeric
@attribute ZM1Kup numeric
@attribute ZM1Mad numeric
@attribute ZM1MulPer numeric
@attribute ZM1Per numeric
@attribute ZM1V numeric
@attribute ZM2 numeric
@attribute ZM2Kup numeric
@attribute ZM2Mad numeric
@attribute ZM2MulPer numeric
@attribute ZM2Per numeric
@attribute ZM2V numeric
@attribute pXC50 numeric

@data
{1 1.465,2 13.517,3 2.61,4 6.813,5 119.88,6 6.184,8 4.308,9 4.453,10 3.931,11 3.835,12 5.144,13 3.671,14 4.943,15 5.155,16 4.053,17 4.204,18 6.018,19 3.983,20 5.264,21 5.54,22 4.14,23 4.357,24 6.114,25 4.089,26 5.297,27 5.561,28 4.29,29 4.345,30 6.216,31 4.117,32 5.316,33 5.571,34 4.25,35 4.346,36 6.576,37 4.121,38 5.297,39 5.563,40 4.08,41 4.347,42 6.213,43 4.105,44 5.308,45 5.576,46 4.087,47 4.336,48 6.219,49 4.099,50 5.298,51 5.564,52 4.022,53 4.301,54 6.308,55 4.073,56 0.207,57 0.946,58 26.542,59 9.224,60 26.849,61 10.781,62 0.717,63 1.408,64 42.398,65 15.277,66 94.161,67 17.369,68 0.703,69 1.643,70 59.347,71 19.633,72 82.489,73 21.266,74 1.047,75 1.644,76 63.057,77 17.82,78 122.247,79 21.172,80 1.71,81 1.65,82 60.604,83 18.593,84 234.644,85 21.294,86 0.758,87 1.655,88 58.336,89 18.472,90 96.377,91 21.221,92 0.793,93 1.647,94 59.17,95 18.041,96 98.359,97 21.128,98 0.946,99 1.608,100 57.871,101 17.512,102 129.845,103 20.653,104 107,105 34,106 0.235,107 0.401,108 0.635,109 0.768,110 0.834,111 0.859,112 3.407,113 1.609,114 -4.52,115 -4.45,116 -4.19,117 27,118 2,119 11,122 6,123 1,134 1,135 1,136 1,137 3,138 2,139 11,141 1,142 1,145 3,147 9,148 1,150 2,151 1,152 1,153 1,154 1,155 7,156 1,157 1,159 1,160 2,161 4,162 1,163 1,164 3,165 5,166 1,168 1,169 4,170 3,172 1,173 5,174 2,175 1,176 1,177 3,178 3,182 6,186 3,188 1,189 4,192 8,196 4,197 1,198 1,199 4,201 1,203 8,205 2,206 2,207 1,208 4,210 1,211 2,212 3,216 6,220 4,222 3,223 3,224 1,225 1994,226 19.018,227 19.018,228 19.018,229 19.018,230 19.018,231 18.666,232 6.283,233 12.496,234 19.226,235 13.764,236 13.764,237 13.764,238 13.764,239 13.764,240 13.07,241 3.488,242 5.88,243 14.093,244 4.744,245 3.709,246 2.254,247 1.427,248 1.014,249 0.858,250 4.04,253 1,254 738,255 5.831,260 2.019,261 49.989,263 1,264 0.67,265 0.83,266 0.8,267 1,268 0.83,269 0.5,270 0.8,271 63.833,272 392,273 4.628,274 3.433,275 7.313,276 4.416,277 3.418,278 3.945,279 0.86,280 12.524,281 3.41,282 4.396,283 3.157,284 6.696,285 4.116,286 3.121,287 3.735,289 10.844,290 3.104,291 2.975,292 2.375,293 4.878,294 2.917,295 1.954,296 1.975,298 5.121,299 1.891,300 2.851,301 1.882,302 3.904,303 2.842,304 1.846,305 1.851,307 3.762,308 1.839,309 2.783,310 1.826,311 3.819,312 2.727,313 1.755,314 1.78,316 3.532,317 1.694,318 2.552,319 1.806,320 3.716,321 2.521,322 1.541,323 1.549,324 3.115,325 1.509,326 2.467,327 1.571,328 3.604,329 2.377,330 1.441,331 1.459,332 2.693,333 1.337,334 2.289,335 1.324,336 3.37,337 2.258,338 1.267,339 1.28,340 2.383,341 1.253,342 2.126,343 1.202,344 3.192,345 2.061,346 1.1,347 1.114,348 2.144,349 1.048,350 1.646,351 0.798,352 3.013,353 1.6,354 0.641,355 0.642,356 1.18,357 0.61,358 1.571,359 0.711,360 2.805,361 1.517,362 0.523,363 0.533,364 0.907,365 0.519,366 1.305,367 0.527,368 2.64,369 1.162,370 0.258,371 0.261,372 0.407,373 0.23,374 1.121,375 0.286,376 2.565,377 1.036,378 0.082,379 0.083,380 0.145,381 0.078,382 0.825,383 -0.253,384 2.239,385 0.738,386 -0.262,387 -0.266,388 -0.448,389 -0.262,390 0.732,391 -0.262,392 2,393 0.574,394 -0.396,395 -0.401,396 -0.776,397 -0.381,398 14.4,399 0.497,400 0.627,401 0.022,402 19.25,403 0.664,404 3,405 0.103,406 16.25,407 0.56,408 41.242,409 1.422,410 38.4,411 0.519,412 13.417,413 0.463,414 2.146,415 0.074,416 11.641,417 0.401,418 0.19,419 0.139,420 0.035,422 1.052,423 1.633,424 1.066,425 1.699,426 0.941,427 1.412,428 0.744,429 1.409,430 1.254,431 1.452,432 0.566,433 1.339,434 1.105,435 1.03,436 1.094,437 1.137,438 1.086,439 1.013,440 1.327,441 1.064,442 1.062,443 1.233,444 1.365,445 1.004,446 0.907,447 0.982,448 1.104,449 1.134,450 0.932,451 0.982,452 1.368,453 1.033,454 1.226,455 1.162,456 1.416,457 1.028,458 1.409,459 1.04,460 1.21,461 1.158,462 1.408,463 1.008,464 1.373,465 1.004,466 1.241,467 1.148,468 1.348,469 1.025,470 6,471 0.149,472 2.667,473 1.625,474 1.52,475 0.722,476 0.531,477 0.406,478 0.222,479 0.18,480 9468,481 20334,482 1.8,483 60.8,484 24,485 13,487 4,489 4,490 1.724,491 1.673,492 3.667,493 1.697,497 108.418,498 1.465,499 2.5,500 3.956,501 4.783,502 5.196,503 5.351,504 3.195,505 4.651,506 4.813,507 3.87,508 1571.26,509 8.419,510 23287.7,513 459.5,514 1.328,515 4.758,516 0.214,517 0.006,518 0.078,519 0.048,520 0.042,521 0.018,522 0.016,523 0.012,524 0.007,525 0.006,526 0.447,528 0.88,529 3.154,530 151.388,531 -0.224,532 -0.044,533 0.268,534 -0.057,535 -0.193,536 0.006,537 0.27,538 -0.147,539 -0.061,540 -0.115,541 0.276,542 -0.151,543 -0.046,544 0.006,545 0.032,546 0.034,547 -0.06,548 0.015,549 -0.076,550 -0.044,551 0.109,552 -0.046,553 -0.1,554 0.013,555 0.455,556 0.026,557 0.05,558 0.004,559 0.432,560 0.015,561 -0.125,562 -0.01,563 -0.085,564 -0.015,565 -0.133,566 -0.02,567 -0.133,568 -0.036,569 -0.07,570 -0.024,571 -0.133,572 -0.011,573 -0.061,574 -0.001,575 -0.118,576 -0.05,577 -0.029,578 -0.041,579 4.783,580 5.899,582 40.545,583 0.991,584 1.145,585 3.295,586 10.856,587 0.603,588 3.367,589 3.555,590 3.555,591 3.611,592 3.714,593 3.555,594 3.555,595 3.526,596 3.367,597 3.296,598 7.841,599 0.531,600 457.6,601 3.367,602 4.828,603 5.565,604 6.382,605 7.159,606 7.993,607 8.796,608 9.641,609 10.461,610 11.313,611 1.4,612 1,623 74,624 2,626 28,627 73,628 20,635 3,637 12,639 20,641 2,643 2,646 2,650 45,651 7,652 4,653 9,654 2,655 1,657 6,658 2,659 1,670 1,671 2,672 1,675 2,677 29,678 1,680 2,681 17,683 2,684 1,687 8.1,688 2,690 2,691 2,693 17.333,694 12.633,695 7.042,696 5.197,697 1,698 1,699 0.123,700 1.02,701 0.869,702 18.071,703 6.201,704 3.434,705 3.714,706 3.689,707 3.761,708 3.951,709 3.689,710 3.689,711 3.664,712 3.466,713 3.401,714 1,715 34,716 11.46,717 5.081,718 7.895,719 21.53,720 17.418,721 2.395,722 69.444,725 496.636,726 61.413,727 32.897,728 132.712,730 14.021,731 61.413,732 615.327,733 32.897,734 17.65,735 82.723,736 82.222,737 58.448,740 482.615,742 482.615,743 94.31,744 132.712,745 14.021,746 435.531,747 87.611,748 92.185,749 94.31,751 14.021,752 482.615,753 165.609,754 61.413,755 14.021,756 14.021,757 482.615,758 43.763,759 17.65,761 165.609,762 482.615,763 165.609,764 75.434,765 0.536,766 0.273,767 0.13,768 0.076,769 7,770 5,771 0.288,772 21,775 4.007,776 202.726,779 138.881,781 29.273,782 17.903,783 16.614,785 165.609,789 107.161,790 723.658,791 30,793 25.17,796 -7.596,797 73.338,798 84.752,799 0.236,800 0.403,801 0.637,802 0.77,803 0.837,804 0.862,805 4.635,806 1.267,807 5.557,808 2.693,809 4.234,810 4.394,811 0.908,812 6.34,813 4.197,814 5.765,815 1.1,816 7.112,817 2.383,818 4.007,819 4.511,821 7.818,822 4.007,823 7.079,824 0.641,825 8.826,826 2.144,827 5.889,828 6.372,829 0.739,830 10.731,831 5.844,832 8.452,833 0.523,834 10.641,835 1.18,836 6.567,837 7.378,839 12.962,840 6.555,841 9.879,842 0.258,843 12.517,844 0.907,845 7.981,846 8.849,847 0.593,848 15.566,849 7.944,850 11.338,851 0.082,852 14.429,853 0.407,854 9.006,855 10.115,857 17.981,858 8.985,859 12.817,860 -0.262,861 16.361,862 0.145,863 10.275,864 11.495,865 0.469,866 20.511,867 10.242,868 3.418,869 -0.396,870 18.307,871 -0.448,872 11.42,873 12.826,875 22.983,876 11.392,877 3.121,878 12.524,879 20.26,880 -0.776,881 12.645,882 14.186,883 0.366,884 25.494,885 12.611,886 1.954,887 10.844,888 22.219,889 3.945,890 13.831,891 15.534,893 27.988,894 13.797,895 1.846,896 5.121,897 24.182,898 3.735,899 15.043,900 16.889,901 0.283,902 30.497,903 15.006,904 1.755,905 3.762,906 26.147,907 1.975,908 16.245,909 18.242,911 33.002,912 16.206,913 1.541,914 3.532,915 28.114,916 1.851,917 17.455,918 19.597,919 0.217,920 35.513,921 17.415,922 1.441,923 3.115,924 30.084,925 1.78,926 18.663,927 20.952,929 38.024,930 18.621,931 10382,932 15573,933 17.041,934 44.608,935 37.567,936 39.028,937 39.89,938 37.748,939 37.894,940 40.413,941 1.72,942 97.515,943 37.047,944 5.602,945 5.385,946 7.289,947 5.459,948 5.392,949 5.945,950 1.72,951 19.941,952 5.364,953 19.011,954 1.342,955 1.394,956 1.425,957 1.348,958 1.353,959 1.443,960 0.061,961 3.483,962 1.323,963 3.951,964 3.978,965 4.54,966 4.145,967 7.431,968 3.857,969 3.776,970 3.839,971 4.362,972 3.853,973 7.42,974 3.635,975 3.744,976 3.797,977 3.622,978 3.662,979 6.346,980 3.601,981 3.649,982 3.689,983 3.557,984 3.597,985 6.342,986 3.486,987 3.577,988 3.644,989 3.41,990 3.422,991 5.015,992 3.402,993 3.469,994 3.551,995 3.319,996 3.285,997 4.57,998 3.271,999 3.365,1000 3.418,1001 3.223,1002 3.245,1003 4.288,1004 3.168,1005 3.291,1006 3.362,1007 3.143,1008 3.107,1009 4.212,1010 3.076,1011 0.165,1012 0.123,1013 0.261,1014 0.158,1015 0.122,1016 4.628,1017 0.141,1018 3.433,1019 0.031,1020 7.313,1021 0.447,1022 4.416,1023 0.122,1024 3.418,1025 3.945,1026 0.86,1027 12.524,1028 3.41,1029 1.891,1030 1.863,1031 2.048,1032 1.964,1033 1.472,1034 2.031,1035 1.791,1036 1.73,1037 2.035,1038 1.944,1039 1.395,1040 1.988,1041 1.746,1042 1.69,1043 1.895,1044 1.866,1045 1.333,1046 1.936,1047 1.591,1048 1.542,1049 1.849,1050 1.794,1051 1.174,1052 1.825,1053 1.582,1054 1.523,1055 1.792,1056 1.762,1057 1.112,1058 1.813,1059 1.473,1060 1.395,1061 1.753,1062 1.679,1063 0.984,1064 1.726,1065 1.315,1066 1.26,1067 1.618,1068 1.527,1069 0.87,1070 1.577,1071 1.288,1072 1.213,1073 1.517,1074 1.431,1075 0.824,1076 1.537,1077 4.043,1078 5.263,1080 6.655,1082 8.146,1084 9.701,1085 4.297,1087 5.329,1088 20.616,1089 11.933,1091 10.582,1092 -0.887,1094 39.274,1095 108.418,1096 185.031,1097 292.721,1098 353.932,1099 384.48,1100 395.99,1101 296.538,1102 6.078,1103 119.08,1104 138.7,1106 11.878,1107 1.585,1108 1.585,1109 170.635,1110 122,1111 180,1112 0.618,1113 261.247,1114 457.96,1115 629.203,1116 2766,1118 22.012,1119 0.759,1120 0.703,1121 22.512,1122 20.386,1123 13.787,1124 0.492,1125 0.536,1126 11.537,1127 11.768,1128 10.928,1129 9.22,1130 15.462,1131 15.02,1132 11.585,1133 0.341,1134 0.365,1135 14.218,1136 12.419,1137 7.442,1138 0.219,1139 0.27,1140 9.38,1141 9.164,1142 5.106,1143 0.142,1144 0.203,1145 7.061,1146 7.294,1147 3.98,1148 0.099,1149 0.134,1150 6.016,1151 5.379,1152 0.989,1153 102.002,1154 0.242,1155 28.393,1156 1.641,1157 124,1158 371.779,1159 204.719,1160 364.106,1161 458.24,1162 332,1163 130,1164 251.243,1165 227.419,1166 301.657,1167 433.66,1168 281,1169 5.824}
{0 CHEMBL148649,1 1.558,2 9.138,3 3.644,4 13.278,5 107.258,6 7.735,7 0.516,8 4.024,9 4.126,10 3.599,11 3.558,12 5.242,13 3.553,14 4.529,15 4.675,16 3.979,17 3.929,18 5.806,19 3.911,20 4.789,21 4.95,22 4.116,23 4.075,24 6.126,25 4.051,26 4.856,27 5.018,28 4.144,29 4.174,30 6.013,31 4.138,32 4.961,33 5.129,34 4.262,35 4.287,36 6.17,37 4.241,38 5.122,39 5.297,40 4.27,41 4.339,42 6.391,43 4.285,44 5.139,45 5.346,46 4.103,47 4.247,48 6.362,49 4.166,50 5.027,51 5.27,52 3.886,53 4.022,54 6.318,55 3.921,56 0.098,57 0.692,58 9.633,59 4.729,60 18.422,61 5.647,62 0.319,63 1.089,64 17.946,65 7.753,66 59.287,67 9.777,68 0.74,69 1.331,70 25.467,71 9.57,72 107.007,73 11.988,74 0.533,75 1.465,76 26.38,77 10.363,78 70.239,79 12.882,80 0.478,81 1.633,82 28.911,83 12.259,84 62.256,85 15.656,86 0.771,87 1.82,88 35.984,89 13.611,90 115.341,91 16.999,92 0.818,93 1.793,94 38.76,95 13.576,96 120.256,97 17.506,98 0.815,99 1.52,100 37.138,101 12.493,102 156.898,103 16.946,104 64,105 44,106 0.26,107 0.636,108 0.764,109 0.849,110 0.869,111 0.869,112 3.409,113 0.896,114 -3.12,115 -3.11,116 -2.99,117 43.1,118 2,119 1,122 1,123 1,126 8,127 3,128 1,130 2,132 1,133 2,134 1,135 1,136 1,137 1,138 1,139 10,142 9,143 1,144 1,145 2,147 10,148 1,149 2,150 9,152 1,153 2,154 2,155 8,158 1,159 2,160 6,163 1,165 9,166 2,167 1,169 2,170 8,172 1,173 1,175 3,177 15,178 2,180 1,181 1,182 10,183 1,184 1,185 1,186 5,188 16,189 1,190 3,191 1,192 8,193 1,194 1,196 3,198 11,199 1,200 2,202 1,203 8,204 1,206 1,208 4,209 1,211 6,212 2,213 3,214 1,215 1,216 6,217 1,218 2,219 1,220 4,221 1,222 3,223 2,224 2,225 1342,226 19.181,227 19.181,228 19.181,229 19.181,230 19.181,231 16.842,232 20.214,233 11.19,234 19.356,235 15.192,236 15.192,237 15.192,238 15.192,239 15.192,240 11.498,241 22.996,242 5.172,243 15.488,244 4.114,245 1.859,246 1.088,247 0.579,248 0.461,249 0.461,250 4.084,252 1,253 1,254 546,255 4.301,256 61.715,257 164.666,258 118.845,260 1.403,261 42.718,263 1,264 1,265 1,266 0.8,267 0.5,268 1,269 1,270 0.9,271 64,272 265,273 4.85,274 3.857,275 7.25,276 4.419,277 3.442,278 4.819,279 2.423,280 12.911,281 3.372,282 4.051,283 3.773,284 6.184,285 3.715,286 2.74,287 3.495,288 0.98,289 8.823,290 2.718,291 3.994,292 3.405,293 6.113,294 3.669,295 2.683,296 3.463,297 0.922,298 8.788,299 2.58,300 3.842,301 2.908,302 5.727,303 3.501,304 2.506,305 3.261,306 0.522,307 7.387,308 2.479,309 3.704,310 2.841,311 5.372,312 3.309,313 2.329,314 2.954,316 6.82,317 2.268,318 3.375,319 2.606,320 5.271,321 2.944,322 1.955,323 2.671,324 5.984,325 1.922,326 2.997,327 2.242,328 4.819,329 2.583,330 1.608,331 2.168,332 4.711,333 1.559,334 2.883,335 1.991,336 3.849,337 2.453,338 1.454,339 2.043,340 3.18,341 1.451,342 2.723,343 1.631,344 3.774,345 2.253,346 1.265,347 1.75,348 2.863,349 1.241,350 2.5,351 1.525,352 3.577,353 2.007,354 1.015,355 1.5,356 2.354,357 1,358 2.43,359 1.252,360 3.483,361 2,362 1,363 1.261,364 2.136,365 0.982,366 2.248,367 1,368 3.247,369 1.86,370 0.861,371 1.08,372 2,373 0.851,374 1.749,375 0.839,376 3,377 1.458,378 0.417,379 0.54,380 0.81,381 0.429,382 1.217,383 0.498,384 2.697,385 0.957,386 -0.008,387 -0.01,388 -0.017,389 -0.008,390 1.073,391 0.239,392 2.533,393 0.719,394 -0.239,395 -0.297,396 -0.598,397 -0.227,398 13.467,399 0.464,400 0.827,401 0.029,402 37,403 1.276,404 19,405 0.655,406 18,407 0.621,408 25.451,409 0.878,410 31.533,411 0.618,412 32.575,413 1.123,414 7.533,415 0.26,416 6.313,417 0.218,418 0.203,420 0.401,422 0.762,423 1.159,424 0.772,425 1.029,426 0.693,427 0.918,428 0.646,429 1.128,430 0.731,431 1.026,432 0.46,433 0.918,434 0.899,435 0.98,436 0.879,437 0.892,438 0.711,439 0.882,440 1,441 1.039,442 1.009,443 0.997,444 0.91,445 0.999,446 0.675,447 1.124,448 0.86,449 1.13,450 0.697,451 1.055,452 1.08,453 1.114,454 1.111,455 1.119,456 1.078,457 1.122,458 1.123,459 1.052,460 1.178,461 1.113,462 1.156,463 1.147,464 0.915,465 1.016,466 0.961,467 1.043,468 0.979,469 1.021,470 5.5,471 0.095,472 3.333,473 2.611,474 2.384,475 1.591,476 1.056,477 0.82,478 0.374,479 0.166,480 8430,481 27132,482 1.973,483 43.1,484 3,485 11,487 3,488 2,489 3,490 1.732,491 1.794,492 3.145,493 0.891,495 1,497 79.469,498 1.558,499 3.813,500 4.584,501 5.094,502 5.211,503 5.211,504 2.682,505 4.582,506 4.824,507 3.307,508 1342.61,509 8.474,510 17482.9,511 1,512 1,513 289.294,514 1.556,515 4.756,516 0.177,517 0.009,518 0.076,519 0.053,520 0.047,521 0.028,522 0.019,523 0.019,524 0.011,525 0.008,526 0.446,527 0.33,528 1,529 1.435,530 143.087,531 -0.08,532 0.003,533 0.009,534 0.034,535 -0.101,536 0.044,537 0.118,538 -0.039,539 0.13,540 0.005,541 0.152,542 0.058,543 0.123,544 0.059,545 0.058,546 0.102,547 0.137,548 0.071,549 -0.094,550 0.03,551 -0.104,552 0.003,553 -0.107,554 -0.044,555 0.081,556 -0.08,557 0.027,558 -0.105,559 0.035,560 -0.062,561 -0.086,562 -0.104,563 -0.166,564 -0.128,565 -0.09,566 -0.159,567 -0.117,568 -0.072,569 -0.19,570 -0.148,571 -0.135,572 -0.177,573 0.066,574 -0.116,575 0.081,576 -0.077,577 0.093,578 -0.009,579 2.802,580 5.716,581 0.517,582 26.285,583 1.013,584 1.121,585 1.886,586 3.558,587 0.665,588 3.466,589 3.807,590 4.111,591 4.419,592 4.727,593 4.875,594 5.017,595 5.136,596 5.13,597 5.069,598 5.68,599 0.645,600 394.46,601 3.466,602 5.017,603 5.883,604 6.786,605 7.689,606 8.608,607 9.528,608 10.455,609 11.384,610 12.317,611 3.9,613 1,614 1,615 2,616 8,617 4,618 1,619 16,620 1,622 1,623 51,624 19,625 2,626 31,627 53,628 22,629 14,630 4,631 8,632 2,633 3,634 4,635 2,637 2,638 17,639 5,641 3,643 3,645 3,648 1,650 22,651 6,652 3,653 7,655 2,656 0.667,657 5,661 1,662 1,663 2,664 1,667 1,668 1,671 1,673 2,675 2,677 29,678 1,680 1,681 2,683 1,684 1,687 9.8,689 1,690 3,692 1,693 16.167,694 9.65,695 6.5,696 3.097,699 3.175,700 1.428,701 0.949,702 6.161,703 10.598,704 3.761,705 4.379,706 5.003,707 5.641,708 6.248,709 6.631,710 7.07,711 7.501,712 7.746,713 8.003,714 1,715 49,716 10.81,717 4.712,718 8.115,719 19.825,720 16.048,721 2.615,722 75.833,723 1,724 1,725 223.651,726 127.937,727 34.796,728 129.118,731 127.937,732 352.769,733 34.796,734 17.65,735 37.537,736 75.81,737 128.866,738 27.087,739 4.901,740 223.651,742 223.651,743 162.733,744 129.118,746 188.338,747 164.431,749 57.087,750 105.646,752 223.651,753 163.914,754 127.937,757 223.651,758 34.477,759 95.359,761 162.015,762 223.651,763 163.914,764 127.937,765 0.582,766 0.349,767 0.186,768 0.116,769 20,770 11,771 0.151,772 8,773 1,774 1.133,775 3.72,776 264.874,777 0.133,778 15,779 136.881,781 20.778,782 8.6,783 4.09,784 1.072,785 162.015,786 14.822,787 2.053,788 1.944,789 75.581,790 515.502,791 42,793 35.73,795 -3.026,797 51.676,798 57.196,799 0.275,800 0.672,801 0.808,802 0.898,803 0.919,804 0.919,805 5.004,806 1.454,807 5.894,808 4.711,809 4.489,810 5.066,811 2.686,812 6.77,813 4.45,814 6.236,815 1.265,816 7.498,817 3.18,818 4.205,819 5.017,820 2.243,821 7.84,822 4.147,823 7.567,824 1.015,825 9.208,826 2.863,827 6.133,828 7.33,829 3.878,830 11.008,831 6.051,832 8.938,833 1,834 10.98,835 2.354,836 6.673,837 8.138,838 4.238,839 12.955,840 6.573,841 10.345,842 0.861,843 12.793,844 2.136,845 8.114,846 9.968,847 5.445,848 15.687,849 7.991,850 11.779,851 0.417,852 14.634,853 2,854 9.024,855 11.186,856 6.111,857 18.005,858 8.883,859 13.237,860 -0.008,861 16.498,862 0.81,863 10.298,864 12.842,865 7.14,866 20.607,867 10.134,868 3.442,869 -0.239,870 18.379,871 -0.017,872 11.379,873 14.257,874 7.928,875 23.075,876 11.196,877 2.74,878 12.911,879 20.276,880 -0.598,881 12.602,882 15.851,883 8.879,884 25.641,885 12.398,886 2.683,887 8.823,888 22.185,889 4.819,890 13.761,891 17.355,892 9.719,893 28.165,894 13.537,895 2.506,896 8.788,897 24.104,898 3.495,899 14.976,900 18.931,901 10.635,902 30.723,903 14.731,904 2.329,905 7.387,906 26.033,907 3.463,908 16.172,909 20.473,910 11.499,911 33.268,912 15.907,913 1.955,914 6.82,915 27.97,916 3.261,917 17.39,918 22.044,919 12.399,920 35.825,921 17.104,922 1.608,923 5.984,924 29.914,925 2.954,926 18.605,927 23.604,928 13.274,929 38.378,930 18.298,931 8546,932 15452,933 19.709,934 33.898,935 47.468,936 49.335,937 49.525,938 46.675,939 46.547,940 62.007,941 9.693,942 137.532,943 45.703,944 5.672,945 5.857,946 7.052,947 5.482,948 5.442,949 7.819,950 4.104,951 20.56,952 5.372,953 18.171,954 1.531,955 1.591,956 1.598,957 1.506,958 1.502,959 2,960 0.313,961 4.437,962 1.474,963 4.178,964 4.203,965 4.152,966 4.088,967 7.503,968 4.1,969 3.881,970 3.91,971 3.809,972 3.827,973 7.474,974 3.818,975 3.67,976 3.691,977 3.602,978 3.492,979 7.355,980 3.506,981 3.581,982 3.605,983 3.526,984 3.397,985 6.351,986 3.415,987 3.492,988 3.543,989 3.379,990 3.268,991 4.942,992 3.298,993 3.265,994 3.345,995 3.084,996 3.094,997 4.868,998 3.082,999 3.05,1000 3.109,1001 2.936,1002 2.882,1003 4.74,1004 2.887,1005 3.002,1006 3.039,1007 2.847,1008 2.735,1009 4.449,1010 2.736,1011 0.156,1012 0.124,1013 0.234,1014 0.143,1015 0.111,1016 4.85,1017 0.155,1018 3.857,1019 0.078,1020 7.25,1021 0.416,1022 4.419,1023 0.109,1024 3.442,1025 4.819,1026 2.423,1027 12.911,1028 3.372,1029 1.959,1030 1.936,1031 2.062,1032 2.063,1033 1.231,1034 2.062,1035 1.897,1036 1.876,1037 1.991,1038 1.984,1039 1.163,1040 1.986,1041 1.713,1042 1.675,1043 1.891,1044 1.867,1045 1.055,1046 1.871,1047 1.542,1048 1.51,1049 1.779,1050 1.78,1051 0.93,1052 1.77,1053 1.393,1054 1.355,1055 1.58,1056 1.669,1057 0.716,1058 1.643,1059 1.258,1060 1.185,1061 1.489,1062 1.483,1063 0.516,1064 1.501,1065 1.008,1066 0.956,1067 1.24,1068 1.268,1069 0.226,1070 1.247,1071 0.886,1072 0.821,1073 1.181,1074 1.242,1075 0.218,1076 1.229,1077 4.143,1078 5.476,1079 2.398,1080 7.009,1081 4.949,1082 8.637,1083 7.248,1084 10.322,1085 3.284,1087 5.311,1088 9.212,1089 0.953,1091 5.605,1092 -1.125,1094 32.885,1095 79.469,1096 194.485,1097 233.784,1098 259.784,1099 265.784,1100 265.784,1101 77.213,1102 7.423,1103 111.62,1104 111.62,1105 17,1106 12.818,1107 4.322,1108 3.585,1109 51.735,1110 96,1111 106,1112 0.269,1113 203.918,1114 358.93,1115 489.319,1116 14405,1118 21.129,1119 0.729,1120 0.559,1121 21.129,1122 16.215,1123 13.845,1124 0.447,1125 0.299,1126 9.141,1127 13.317,1128 8.894,1129 7.387,1130 13.845,1131 9.263,1132 12.545,1133 0.285,1134 0.152,1135 12.545,1136 6.689,1137 10.463,1138 0.174,1139 0.08,1140 10.463,1141 4.78,1142 8.28,1143 0.101,1144 0.042,1145 8.28,1146 3.441,1147 7.318,1148 0.065,1149 0.022,1150 7.318,1151 2.508,1152 0.401,1153 87.025,1154 0.225,1155 26.673,1156 0.809,1157 150,1158 498.049,1159 166.728,1160 473.431,1161 630.36,1162 438,1163 179,1164 451.669,1165 195.511,1166 452.879,1167 667.97,1168 427,1169 6.921}
{0 CHEMBL148674,1 1.579,2 9.071,3 3.266,4 10.669,5 102.84,6 7.926,7 0.533,8 3.971,9 4.069,10 3.567,11 3.507,12 5.209,13 3.508,14 4.466,15 4.604,16 3.931,17 3.874,18 5.773,19 3.86,20 4.707,21 4.864,22 4.049,23 4.017,24 6.053,25 3.991,26 4.771,27 4.937,28 4.098,29 4.116,30 5.89,31 4.079,32 4.899,33 5.064,34 4.214,35 4.219,36 6.129,37 4.179,38 5.051,39 5.224,40 4.202,41 4.253,42 6.348,43 4.206,44 5.049,45 5.252,46 4.014,47 4.143,48 6.3,49 4.066,50 4.921,51 5.175,52 3.766,53 3.883,54 6.214,55 3.784,56 0.111,57 0.652,58 8.674,59 4.38,60 19.235,61 5.081,62 0.347,63 1.022,64 16.216,65 7.15,66 57.181,67 8.773,68 0.719,69 1.243,70 22.629,71 8.817,72 109.296,73 10.891,74 0.436,75 1.376,76 23.149,77 9.647,78 48.575,79 12.131,80 0.503,81 1.531,82 26.457,83 11.359,84 62.845,85 14.241,86 0.816,87 1.684,88 33.069,89 12.47,90 114.91,91 15.152,92 0.845,93 1.621,94 35.278,95 12.441,96 124.044,97 15.634,98 0.823,99 1.361,100 34.284,101 11.245,102 150.05,103 15.376,104 51,105 42,106 0.266,107 0.649,108 0.777,109 0.848,110 0.869,111 0.869,112 3.376,113 0.88,114 -2.9,115 -2.9,116 -2.81,117 43.8,118 1,119 1,122 2,126 8,127 3,128 1,130 2,132 1,133 2,134 1,135 1,136 1,137 1,138 1,139 10,142 8,143 1,144 1,145 2,147 10,149 2,150 8,152 1,153 2,154 1,155 8,158 1,159 2,160 6,163 1,165 7,166 2,167 1,169 2,170 8,172 1,173 1,175 3,177 13,178 2,180 1,181 1,182 9,183 1,184 1,185 1,186 5,188 15,189 1,190 3,191 1,192 7,193 1,194 1,196 3,198 10,199 1,200 2,202 1,203 7,204 1,206 1,208 3,209 1,211 4,212 2,213 2,214 1,215 1,216 6,217 1,218 2,219 1,220 4,221 1,222 1,223 2,224 2,225 1210,226 18.681,227 18.681,228 18.681,229 18.681,230 18.681,231 16.317,232 19.408,233 11.057,234 18.843,235 14.734,236 14.734,237 14.734,238 14.734,239 14.734,240 11.002,241 21.95,242 5.143,243 15.008,244 4.006,245 1.735,246 0.974,247 0.557,248 0.432,249 0.432,250 4.053,251 1,252 1,253 1,254 525,255 4.062,256 59.081,257 157.668,258 113.681,260 1.372,261 40.756,263 1,264 1,265 1,266 0.6,267 0.5,268 1,269 1,270 0.87,271 62,272 254,273 4.849,274 3.855,275 7.249,276 4.418,277 3.44,278 4.818,279 2.423,280 12.907,281 3.371,282 4.048,283 3.63,284 6.183,285 3.701,286 2.685,287 3.493,288 0.98,289 8.815,290 2.714,291 3.966,292 3.405,293 6.083,294 3.583,295 2.618,296 3.46,297 0.922,298 8.657,299 2.538,300 3.776,301 2.89,302 5.373,303 3.363,304 2.385,305 3.246,306 0.522,307 6.852,308 2.312,309 3.529,310 2.837,311 5.283,312 3.164,313 2.173,314 2.717,316 6.053,317 2.124,318 3.374,319 2.593,320 4.884,321 2.943,322 1.952,323 2.655,324 5.25,325 1.921,326 2.995,327 2.156,328 4.585,329 2.582,330 1.607,331 2.167,332 4.604,333 1.558,334 2.883,335 1.839,336 3.848,337 2.453,338 1.454,339 2.043,340 3.179,341 1.451,342 2.716,343 1.535,344 3.764,345 2.241,346 1.249,347 1.74,348 2.842,349 1.232,350 2.5,351 1.434,352 3.528,353 2,354 1,355 1.5,356 2.136,357 1,358 2.363,359 1.147,360 3.247,361 1.904,362 0.887,363 1.145,364 2.045,365 0.89,366 1.856,367 1,368 3.148,369 1.561,370 0.615,371 0.726,372 1.389,373 0.567,374 1.665,375 0.831,376 2.87,377 1.35,378 0.347,379 0.439,380 0.645,381 0.346,382 1.185,383 0.498,384 2.67,385 0.903,386 -0.073,387 -0.089,388 -0.162,389 -0.071,390 0.915,391 0.223,392 2.406,393 0.51,394 -0.458,395 -0.579,396 -1.085,397 -0.434,398 12.967,399 0.463,400 0.737,401 0.026,402 36.5,403 1.304,404 19,405 0.679,406 17.5,407 0.625,408 22.862,409 0.816,410 30.233,411 0.63,412 31.444,413 1.123,414 7.579,415 0.271,416 5.855,417 0.209,418 0.172,420 0.378,422 0.767,423 1.143,424 0.752,425 1.007,426 0.686,427 0.892,428 0.676,429 1.109,430 0.759,431 1.004,432 0.47,433 0.918,434 0.804,435 0.983,436 0.89,437 0.897,438 0.738,439 0.91,440 0.742,441 1.078,442 0.897,443 1.038,444 0.618,445 1.005,446 0.686,447 1.134,448 0.869,449 1.144,450 0.706,451 1.069,452 1.115,453 1.084,454 1.138,455 1.108,456 1.105,457 1.123,458 1.15,459 1.043,460 1.192,461 1.109,462 1.213,463 1.152,464 0.858,465 0.931,466 0.902,467 0.969,468 0.897,469 0.951,470 5,471 0.078,472 2.889,473 2.486,474 2.304,475 1.563,476 0.838,477 0.727,478 0.325,479 0.126,480 7779,481 26029,482 1.993,483 41.7,484 3,485 12,487 3,488 2,490 1.722,491 1.826,492 3.123,493 0.917,494 1,495 1,497 75.791,498 1.579,499 3.85,500 4.611,501 5.028,502 5.153,503 5.153,504 2.67,505 4.352,506 4.772,507 3.293,508 1244.92,509 8.37,510 15843.5,511 1,512 1,513 268.078,514 1.531,515 4.714,516 0.167,517 0.009,518 0.069,519 0.054,520 0.047,521 0.029,522 0.016,523 0.018,524 0.011,525 0.006,526 0.426,527 0.33,528 1,529 1.437,530 136.697,531 -0.088,532 0.005,533 0.006,534 0.038,535 -0.098,536 0.047,537 0.091,538 -0.026,539 0.086,540 0.015,541 0.143,542 0.042,543 0.134,544 0.059,545 0.023,546 0.097,547 0.111,548 0.043,549 -0.006,550 -0.006,551 -0.024,552 -0.035,553 -0.016,554 -0.034,555 0.076,556 -0.1,557 0.014,558 -0.129,559 0.033,560 -0.085,561 -0.105,562 -0.084,563 -0.188,564 -0.126,565 -0.101,566 -0.167,567 -0.126,568 -0.084,569 -0.19,570 -0.141,571 -0.16,572 -0.174,573 0.095,574 -0.045,575 0.174,576 -0.004,577 0.115,578 0.087,579 2.806,580 5.635,581 0.536,582 25.444,583 1.017,584 1.12,585 1.667,586 2.78,587 0.67,588 3.434,589 3.761,590 4.06,591 4.394,592 4.7,593 4.836,594 4.963,595 5.069,596 5.075,597 4.99,598 5.605,599 0.653,600 380.43,601 3.434,602 4.977,603 5.838,604 6.739,605 7.641,606 8.56,607 9.479,608 10.407,609 11.336,610 12.27,611 4.2,613 1,614 1,615 2,616 8,617 4,618 1,619 16,620 1,622 1,623 48,624 19,625 2,626 30,627 50,628 21,629 14,630 4,631 8,632 2,633 3,634 4,635 1,637 1,638 17,639 4,641 3,643 3,645 3,647 1,648 1,650 20,651 6,652 3,653 7,655 2,656 0.667,657 5,661 1,662 1,663 2,664 1,667 1,668 1,671 1,673 2,675 1,677 28,678 1,680 1,681 3,683 1,687 10.4,689 1,690 3,692 1,693 15.333,694 8.817,695 6.306,696 2.833,699 3.183,700 1.433,701 0.955,702 5.927,703 10.538,704 3.738,705 4.353,706 4.976,707 5.63,708 6.235,709 6.61,710 7.041,711 7.466,712 7.715,713 7.957,714 1,715 46,716 10.41,717 4.513,718 8.143,719 19.069,720 15.371,721 2.643,722 74,724 1,725 200.109,726 123.704,727 34.796,728 129.118,731 123.704,732 329.227,733 34.796,734 8.825,735 42.13,736 75.81,737 128.866,738 27.087,739 4.901,740 200.109,742 200.109,743 158.501,744 129.118,746 200.109,747 129.118,749 52.854,750 105.646,752 200.109,753 163.914,754 123.704,757 200.109,758 39.069,759 86.534,761 162.015,762 200.109,763 163.914,764 123.704,765 0.575,766 0.335,767 0.191,768 0.121,769 19,770 10,771 0.16,772 8,773 1,774 1.133,775 3.688,776 250.644,777 0.133,778 15,779 130.606,781 19.804,782 8.381,783 4.011,784 1.077,785 162.015,786 14.791,787 2.061,788 1.939,789 75.581,790 487.727,791 41,793 35.254,795 -3.027,797 48.793,798 53.78,799 0.283,800 0.689,801 0.826,802 0.9,803 0.923,804 0.923,805 4.97,806 1.454,807 5.838,808 4.604,809 4.443,810 5.04,811 2.686,812 6.706,813 4.407,814 6.198,815 1.249,816 7.431,817 3.179,818 4.111,819 4.977,820 2.243,821 7.771,822 4.068,823 7.526,824 1,825 9.132,826 2.842,827 6.071,828 7.309,829 3.878,830 10.95,831 5.998,832 8.895,833 0.887,834 10.901,835 2.136,836 6.581,837 8.112,838 4.238,839 12.914,840 6.499,841 10.302,842 0.615,843 12.713,844 2.045,845 8.042,846 9.952,847 5.445,848 15.652,849 7.934,850 11.737,851 0.347,852 14.557,853 1.389,854 8.944,855 11.171,856 6.111,857 17.983,858 8.822,859 13.196,860 -0.073,861 16.426,862 0.645,863 10.23,864 12.832,865 7.14,866 20.589,867 10.085,868 3.44,869 -0.458,870 18.313,871 -0.162,872 11.314,873 14.248,874 7.928,875 23.063,876 11.15,877 2.685,878 12.907,879 20.216,880 -1.085,881 12.547,882 15.845,883 8.879,884 25.631,885 12.361,886 2.618,887 8.815,888 22.132,889 4.818,890 13.712,891 17.351,892 9.719,893 28.157,894 13.505,895 2.385,896 8.657,897 24.059,898 3.493,899 14.934,900 18.927,901 10.635,902 30.716,903 14.705,904 2.173,905 6.852,906 25.994,907 3.46,908 16.135,909 20.471,910 11.499,911 33.262,912 15.885,913 1.952,914 6.053,915 27.936,916 3.246,917 17.358,918 22.042,919 12.399,920 35.818,921 17.086,922 1.607,923 5.25,924 29.885,925 2.717,926 18.577,927 23.602,928 13.274,929 38.371,930 18.283,931 7870,932 14523,933 19.304,934 32.137,935 45.507,936 47.518,937 47.294,938 44.869,939 44.826,940 60.301,941 9.693,942 130.744,943 44.045,944 5.664,945 5.855,946 7.051,947 5.469,948 5.44,949 7.818,950 4.104,951 20.549,952 5.371,953 16.518,954 1.517,955 1.584,956 1.576,957 1.496,958 1.494,959 2.01,960 0.323,961 4.358,962 1.468,963 4.177,964 4.202,965 4.151,966 4.087,967 7.503,968 4.099,969 3.88,970 3.909,971 3.809,972 3.827,973 7.474,974 3.818,975 3.629,976 3.652,977 3.574,978 3.48,979 7.355,980 3.488,981 3.543,982 3.56,983 3.484,984 3.278,985 6.351,986 3.322,987 3.479,988 3.517,989 3.368,990 3.245,991 4.941,992 3.276,993 3.264,994 3.342,995 3.084,996 3.09,997 4.868,998 3.08,999 3.05,1000 3.109,1001 2.934,1002 2.882,1003 4.74,1004 2.886,1005 2.9,1006 2.925,1007 2.801,1008 2.735,1009 4.43,1010 2.736,1011 0.162,1012 0.128,1013 0.242,1014 0.147,1015 0.115,1016 4.849,1017 0.161,1018 3.855,1019 0.081,1020 7.249,1021 0.43,1022 4.418,1023 0.112,1024 3.44,1025 4.818,1026 2.423,1027 12.907,1028 3.371,1029 1.958,1030 1.935,1031 2.062,1032 2.062,1033 1.231,1034 2.062,1035 1.897,1036 1.875,1037 1.989,1038 1.981,1039 1.161,1040 1.983,1041 1.713,1042 1.675,1043 1.891,1044 1.867,1045 1.055,1046 1.871,1047 1.4,1048 1.383,1049 1.595,1050 1.703,1051 0.729,1052 1.654,1053 1.382,1054 1.348,1055 1.568,1056 1.66,1057 0.688,1058 1.639,1059 1.253,1060 1.182,1061 1.486,1062 1.481,1063 0.516,1064 1.496,1065 1.006,1066 0.955,1067 1.236,1068 1.243,1069 0.224,1070 1.245,1071 0.886,1072 0.821,1073 1.181,1074 1.068,1075 0.218,1076 1.107,1077 4.111,1078 5.434,1079 2.398,1080 6.957,1081 4.949,1082 8.582,1083 7.248,1084 10.267,1085 1.88,1087 5.284,1088 8.943,1089 0.401,1091 5.397,1094 31.358,1095 75.791,1096 184.794,1097 221.323,1098 241.323,1099 247.323,1100 247.323,1101 69.503,1102 7.355,1103 111.62,1104 111.62,1105 17,1106 12.771,1107 4.322,1108 3.585,1109 49.006,1110 92,1111 99,1112 0.268,1113 194.325,1114 341.63,1115 465.914,1116 13310,1118 20.259,1119 0.724,1120 0.548,1121 20.259,1122 15.345,1123 13.435,1124 0.448,1125 0.293,1126 8.678,1127 12.901,1128 8.477,1129 7.03,1130 13.435,1131 8.803,1132 12.06,1133 0.287,1134 0.149,1135 12.06,1136 6.273,1137 9.765,1138 0.171,1139 0.079,1140 9.765,1141 4.48,1142 8.139,1143 0.102,1144 0.042,1145 8.139,1146 3.362,1147 7.219,1148 0.066,1149 0.022,1150 7.219,1151 2.452,1152 0.4,1153 84.652,1154 0.228,1155 25.955,1156 0.807,1157 144,1158 492.049,1159 160.064,1160 466.882,1161 618.46,1162 432,1163 171,1164 437.76,1165 186.514,1166 440.27,1167 647.02,1168 414,1169 7.222}
{0 CHEMBL280817,1 1.422,2 15.212,3 6.369,4 40.559,5 131.71,6 6.979,7 0.353,8 4.26,9 4.371,10 3.882,11 3.83,12 5.291,13 3.747,14 4.817,15 4.983,16 4.105,17 4.179,18 6.05,19 4.057,20 5.086,21 5.322,22 4.138,23 4.314,24 6.032,25 4.143,26 5.123,27 5.356,28 4.156,29 4.284,30 6.124,31 4.126,32 5.12,33 5.35,34 4.166,35 4.264,36 6.216,37 4.119,38 5.083,39 5.302,40 4.172,41 4.264,42 6.128,43 4.125,44 5.119,45 5.33,46 4.157,47 4.251,48 6.437,49 4.11,50 5.054,51 5.289,52 4.041,53 4.219,54 6.1,55 4.049,56 0.126,57 0.868,58 18.915,59 7.957,60 22.891,61 9.224,62 0.569,63 1.369,64 30.525,65 12.756,66 88.712,67 15.422,68 0.337,69 1.705,70 42.809,71 16.763,72 62.801,73 20.009,74 0.465,75 1.71,76 46.265,77 16.83,78 79.625,79 19.686,80 0.771,81 1.674,82 45.463,83 16.336,84 100.3,85 19.282,86 0.523,87 1.649,88 45.176,89 16.025,90 89.339,91 18.567,92 1.147,93 1.648,94 44.988,95 15.764,96 190.543,97 18.659,98 0.624,99 1.597,100 42.581,101 15.74,102 92.132,103 18.631,104 46,105 43,106 0.226,107 0.526,108 0.685,109 0.794,110 0.85,111 0.883,112 3.531,113 1.164,114 -6.51,115 -6.34,116 -5.88,117 38.2,118 1,119 8,122 2,125 2,126 8,127 2,128 2,133 1,137 3,138 2,139 18,140 1,141 1,142 5,145 3,146 1,147 18,148 3,150 9,154 3,155 13,156 4,160 10,161 1,163 4,165 9,166 4,169 2,170 9,173 1,175 4,177 11,178 3,179 1,182 5,183 3,186 3,187 2,188 14,189 2,191 2,192 5,193 1,194 3,195 1,196 2,198 15,199 3,202 1,203 7,206 1,208 3,211 13,212 4,216 8,220 4,222 12,223 4,225 2672,226 22.103,227 22.103,228 22.103,229 22.103,230 22.103,231 20.194,232 11.979,233 14.035,234 22.279,235 16.808,236 16.808,237 16.808,238 16.808,239 16.808,240 13.826,241 10.963,242 6.749,243 17.093,244 4.665,245 2.783,246 1.78,247 1.096,248 0.746,249 0.541,250 4.202,253 1,254 1020,255 5,257 266.496,260 2.353,261 43.824,263 0.75,264 0.5,265 0.67,266 0.9,267 1,268 0.67,269 0.5,270 0.71,271 71.667,272 502,273 4.732,274 3.485,275 7.401,276 4.431,277 3.435,278 4.305,279 1.437,280 12.885,281 3.421,282 3.981,283 3.45,284 5.772,285 3.591,286 2.622,287 3.464,288 1.151,289 7.897,290 2.546,291 3.887,292 2.97,293 5.385,294 3.489,295 2.494,296 3.399,298 7.055,299 2.479,300 3.682,301 2.623,302 5.193,303 3.254,304 2.271,305 2.993,307 6.486,308 2.213,309 3.42,310 2.339,311 4.655,312 3.038,313 2.057,314 2.65,316 5.095,317 1.991,318 2.923,319 1.958,320 4.314,321 2.916,322 1.919,323 2.086,324 3.844,325 1.914,326 2.918,327 1.796,328 3.911,329 2.68,330 1.691,331 1.925,332 3.523,333 1.671,334 2.723,335 1.641,336 3.679,337 2.486,338 1.495,339 1.755,340 3.216,341 1.48,342 2.638,343 1.487,344 3.639,345 2.334,346 1.358,347 1.651,348 3.136,349 1.321,350 2.5,351 1.198,352 3.389,353 2.167,354 1.168,355 1.5,356 2.51,357 1.167,358 2.404,359 1.111,360 3.247,361 2,362 1,363 1.323,364 2.136,365 1,366 2.329,367 1,368 3.216,369 1.831,370 0.86,371 1.122,372 1.841,373 0.83,374 1.888,375 0.983,376 3.083,377 1.76,378 0.805,379 0.87,380 1.601,381 0.759,382 1.854,383 0.888,384 2.95,385 1.467,386 0.522,387 0.686,388 1.191,389 0.488,390 1.386,391 0.471,392 2.686,393 1.321,394 0.354,395 0.36,396 0.634,397 0.34,398 16,399 0.485,400 0.666,401 0.02,402 36,403 1.091,404 17,405 0.515,406 19,407 0.576,408 33.425,409 1.013,410 38,411 0.559,412 29.231,413 0.886,414 6.572,415 0.199,416 9.348,417 0.283,418 0.115,419 0.063,420 0.156,422 0.922,423 1.257,424 0.908,425 1.408,426 0.821,427 1.103,428 0.643,429 1.172,430 0.958,431 1.112,432 0.421,433 1.135,434 0.854,435 1.038,436 0.979,437 1.088,438 0.695,439 0.973,440 1.124,441 1.055,442 1.068,443 1.166,444 0.97,445 0.977,446 1.03,447 0.937,448 1.006,449 1.03,450 0.963,451 0.889,452 1.284,453 1.041,454 1.115,455 1.197,456 1.234,457 0.974,458 1.111,459 0.944,460 1.085,461 0.998,462 1.102,463 0.978,464 0.962,465 1.003,466 1.079,467 1.107,468 0.955,469 0.984,470 6,471 0.186,472 2.889,473 1.5,474 1.502,475 1.042,476 0.631,477 0.554,478 0.358,479 0.21,480 15542,481 38289,482 1.955,483 51.5,484 17,485 14,487 2,489 2,490 1.754,491 1.842,492 3.826,493 0.162,497 96.701,498 1.422,499 3.304,500 4.308,501 4.991,502 5.341,503 5.547,504 3.377,505 4.741,506 5,507 4.031,508 2128.55,509 8.779,510 34327.6,513 413.947,514 1.368,515 4.973,516 0.176,517 0.006,518 0.067,519 0.035,520 0.036,521 0.024,522 0.015,523 0.013,524 0.009,525 0.006,526 0.387,527 0.17,528 0.63,529 2.524,530 179.443,531 -0.151,532 -0.026,533 0.176,534 -0.073,535 -0.135,536 0.022,537 0.296,538 -0.074,539 0.016,540 -0.037,541 0.334,542 -0.094,543 -0.007,544 -0.019,545 0.071,546 0.021,547 0.03,548 0.044,549 -0.064,550 -0.053,551 0.041,552 -0.038,553 -0.026,554 0.016,555 0.129,556 0.051,557 0.083,558 0.047,559 0.077,560 0.087,561 -0.126,562 -0.025,563 0.017,564 -0.048,565 -0.102,566 0.016,567 0.235,568 0.044,569 -0.011,570 0.034,571 0.266,572 -0.021,573 0.073,574 -0.005,575 0.008,576 -0.002,577 0.029,578 0.008,579 4.965,580 6.011,581 0.364,582 50.511,583 0.998,584 1.124,585 5.281,586 27.892,587 0.649,588 3.555,589 3.784,590 3.912,591 4.078,592 4.277,593 4.263,594 4.357,595 4.394,596 4.443,597 4.454,598 8.615,599 0.598,600 474.58,601 3.555,602 5.043,603 5.826,604 6.658,605 7.473,606 8.32,607 9.154,608 10.013,609 10.86,610 11.727,616 8,617 4,619 12,622 1,623 68,624 15,625 2,626 34,627 69,628 26,629 12,630 4,631 8,632 3,633 2,634 2,635 1,637 8,638 15,639 11,641 3,643 2,644 2,645 1,646 1,650 35,651 6,652 2,653 7,654 1,656 1,657 6,658 1,659 1,663 2,668 1,669 2,671 2,673 2,675 1,677 33,680 2,681 10,683 2,687 8.8,688 1,689 1,690 2,691 1,692 1,693 17.917,694 11.85,695 7.653,696 4.477,698 1,699 2.347,700 1.331,701 0.913,702 12.32,703 9.44,704 3.784,705 4.248,706 4.673,707 5.13,708 5.651,709 5.744,710 6.059,711 6.245,712 6.56,713 6.755,714 1,715 43,716 12.631,717 5.461,718 7.898,719 23.572,720 18.755,721 2.398,722 79.139,725 396.404,726 145.93,728 143.145,730 7.958,731 145.93,732 531.591,734 8.825,735 29.461,736 139.852,737 95.923,738 22.971,740 388.446,742 388.446,743 145.93,744 143.145,745 7.958,746 364.904,747 122.634,748 44.053,749 38.286,750 88.691,751 26.911,752 388.446,753 143.145,754 145.93,755 7.958,756 7.958,757 388.446,758 42.342,759 103.588,761 143.145,762 388.446,763 143.145,764 153.888,765 0.552,766 0.29,767 0.146,768 0.084,769 14,770 7,771 0.232,772 16,774 1,775 4.493,776 265.38,778 12,779 160.465,781 27.182,782 14.957,783 10.604,785 143.145,786 14.249,787 1.717,789 79.815,790 685.479,791 43,793 23.952,794 2.225,795 -1.141,796 -4.16,797 67.843,798 76.454,799 0.234,800 0.543,801 0.708,802 0.82,803 0.877,804 0.911,805 4.977,806 1.495,807 5.784,808 3.523,809 4.466,810 4.934,811 2.051,812 6.535,813 4.433,814 6.143,815 1.358,816 7.307,817 3.216,818 4.007,819 4.691,821 7.687,822 3.981,823 7.431,824 1.168,825 8.964,826 3.136,827 6.028,828 7.03,829 2.567,830 10.717,831 5.974,832 8.765,833 1,834 10.713,835 2.51,836 6.479,837 7.648,839 12.823,840 6.434,841 10.144,842 0.86,843 12.531,844 2.136,845 7.971,846 9.478,847 3.146,848 15.496,849 7.909,850 11.555,851 0.805,852 14.398,853 1.841,854 8.856,855 10.494,857 17.912,858 8.803,859 12.992,860 0.522,861 16.3,862 1.601,863 10.158,864 12.116,865 3.772,866 20.501,867 10.097,868 3.435,869 0.354,870 18.228,871 1.191,872 11.243,873 13.336,875 23.012,876 11.187,877 2.622,878 12.885,879 20.176,880 0.634,881 12.486,882 14.865,883 4.432,884 25.578,885 12.425,886 2.494,887 7.897,888 22.137,889 4.305,890 13.656,891 16.194,893 28.12,894 13.597,895 2.271,896 7.055,897 24.109,898 3.464,899 14.884,900 17.68,901 5.115,902 30.679,903 14.822,904 2.057,905 6.486,906 26.089,907 3.399,908 16.09,909 19.068,911 33.23,912 16.027,913 1.919,914 5.095,915 28.074,916 2.993,917 17.317,918 20.536,919 5.812,920 35.787,921 17.251,922 1.691,923 3.844,924 30.063,925 2.65,926 18.537,927 21.957,929 38.342,930 18.47,931 15787,932 25262,933 22.129,934 44.114,935 48.59,936 49.524,937 49.157,938 48.06,939 48.1,940 60.176,941 5.175,942 126.097,943 47.238,944 5.694,945 5.485,946 7.381,947 5.483,948 5.435,949 7.305,950 2.873,951 20.589,952 5.421,953 17.572,954 1.429,955 1.457,956 1.446,957 1.414,958 1.415,959 1.77,960 0.152,961 3.709,962 1.389,963 4.015,964 4.027,965 4.477,966 4.088,967 7.476,968 3.953,969 3.889,970 3.916,971 3.848,972 3.844,973 7.429,974 3.827,975 3.802,976 3.865,977 3.735,978 3.684,979 6.352,980 3.664,981 3.659,982 3.719,983 3.632,984 3.594,985 6.345,986 3.5,987 3.562,988 3.571,989 3.487,990 3.482,991 4.864,992 3.412,993 3.495,994 3.53,995 3.443,996 3.371,997 4.708,998 3.332,999 3.351,1000 3.396,1001 3.189,1002 3.234,1003 4.4,1004 3.181,1005 3.198,1006 3.242,1007 3.089,1008 3.018,1009 4.331,1010 3.017,1011 0.139,1012 0.102,1013 0.218,1014 0.13,1015 0.101,1016 4.732,1017 0.127,1018 3.485,1019 0.042,1020 7.401,1021 0.379,1022 4.431,1023 0.101,1024 3.435,1025 4.305,1026 1.437,1027 12.885,1028 3.421,1029 1.961,1030 1.949,1031 2.063,1032 2.023,1033 1.421,1034 2.044,1035 1.895,1036 1.868,1037 2.04,1038 1.972,1039 1.268,1040 2.005,1041 1.812,1042 1.751,1043 1.979,1044 1.956,1045 1.192,1046 1.985,1047 1.671,1048 1.608,1049 1.943,1050 1.847,1051 1.126,1052 1.884,1053 1.484,1054 1.464,1055 1.758,1056 1.676,1057 1.035,1058 1.707,1059 1.453,1060 1.404,1061 1.612,1062 1.657,1063 0.773,1064 1.644,1065 1.302,1066 1.273,1067 1.527,1068 1.454,1069 0.638,1070 1.52,1071 1.163,1072 1.112,1073 1.432,1074 1.397,1075 0.583,1076 1.416,1077 4.234,1078 5.485,1080 6.919,1082 8.45,1084 10.043,1085 2.193,1088 19.589,1089 9.335,1091 11.178,1094 40.695,1095 96.701,1096 224.686,1097 292.928,1098 339.418,1099 363.193,1100 377.193,1101 112.243,1102 7.093,1103 93.06,1104 102.87,1105 12,1106 12.278,1107 4,1108 3.322,1109 80.795,1110 156,1111 236,1112 0.231,1113 259.872,1114 463.29,1115 625.847,1116 11596,1118 23.943,1119 0.726,1120 0.613,1121 24.193,1122 20.214,1123 15.92,1124 0.468,1125 0.388,1126 11.637,1127 14.67,1128 11.24,1129 9.457,1130 16.741,1131 13.196,1132 13.665,1133 0.318,1134 0.227,1135 14.97,1136 9.776,1137 9.853,1138 0.201,1139 0.138,1140 10.942,1141 6.753,1142 7.456,1143 0.129,1144 0.081,1145 8.485,1146 4.676,1147 6.038,1148 0.085,1149 0.045,1150 6.955,1151 3.228,1152 0.373,1153 106.826,1154 0.213,1155 31.584,1156 0.608,1157 154,1158 480.854,1159 204.448,1160 465.802,1161 612.11,1162 430,1163 169,1164 397.666,1165 226.746,1166 432.236,1167 627.45,1168 405,1169 5.347}
{0 CHEMBL31185,1 1.615,2 10.667,3 4.829,4 23.315,5 82.825,6 7.697,7 0.25,8 3.873,9 3.976,10 3.408,11 3.333,12 5.067,13 3.331,14 4.455,15 4.622,16 3.822,17 3.667,18 6.131,19 3.644,20 4.685,21 4.901,22 3.811,23 3.768,24 6.136,25 3.714,26 4.701,27 4.929,28 3.66,29 3.734,30 5.871,31 3.676,32 4.631,33 4.848,34 3.744,35 3.702,36 5.858,37 3.658,38 4.69,39 4.908,40 3.82,41 3.635,42 6.136,43 3.617,44 4.573,45 4.789,46 3.706,47 3.52,48 6.053,49 3.518,50 4.558,51 4.769,52 3.613,53 3.388,54 6.389,55 3.384,56 0.19,57 0.766,58 8.702,59 4.85,60 43.559,61 5.462,62 0.988,63 1.471,64 19.276,65 7.607,66 186.173,67 9.252,68 1.012,69 1.152,70 25.87,71 8.811,72 188.176,73 11.743,74 0.948,75 1.174,76 27.253,77 8.713,78 144.434,79 11.163,80 0.72,81 1.189,82 24.018,83 8.445,84 109.301,85 11.052,86 1.321,87 1.247,88 27.536,89 8.232,90 164.481,91 10.471,92 0.912,93 1.254,94 23.877,95 7.491,96 172.467,97 9.144,98 1.647,99 1.081,100 25.876,101 6.646,102 313.854,103 7.771,104 71,105 32,106 0.286,107 0.59,108 0.752,109 0.843,110 0.88,111 0.88,112 3.227,113 0.98,114 -4.63,115 -4.55,116 -4.28,117 37.8,118 1,119 6,122 1,124 1,126 3,127 2,128 1,131 1,133 1,137 1,138 1,139 10,140 1,142 5,145 1,146 1,147 9,148 2,150 7,154 2,155 7,156 2,160 5,163 2,165 5,166 1,169 1,170 4,171 1,175 1,177 6,181 1,182 2,183 1,185 1,188 6,191 1,192 2,194 1,198 6,199 1,203 2,208 1,211 6,212 1,216 2,220 1,222 6,223 1,225 1014,226 15.292,227 15.292,228 15.292,229 15.292,230 15.292,231 14.307,232 13.117,233 9.352,234 15.648,235 11.795,236 11.795,237 11.795,238 11.795,239 11.795,240 10.177,241 13.244,242 4.419,243 12.431,244 3.877,245 2.164,246 1.25,247 0.734,248 0.522,249 0.522,250 3.866,252 1,253 1,254 497,255 4.637,257 94.141,260 1.694,261 52.926,262 1,263 1,264 0.83,265 0.83,266 1,267 1,268 1,269 1,270 0.95,271 56.5,272 256,273 4.423,274 4.59,275 7.06,276 4.173,277 3.298,278 3.98,279 3.976,280 11.382,281 2.981,282 4.27,283 3.584,284 6.227,285 3.905,286 2.936,287 3.499,288 1.835,289 9.346,290 2.779,291 3.839,292 3.251,293 5.804,294 3.492,295 2.515,296 3.182,297 1.437,298 7.785,299 2.426,300 3.024,301 2.983,302 4.611,303 2.863,304 1.885,305 2.127,306 0.86,307 4.868,308 1.846,309 2.867,310 2.205,311 4.142,312 2.682,313 1.725,314 1.878,315 0.149,316 3.674,317 1.613,318 2.773,319 1.856,320 3.833,321 2.42,322 1.443,323 1.774,324 3.337,325 1.395,326 2.679,327 1.792,328 3.784,329 2.236,330 1.24,331 1.637,332 2.928,333 1.216,334 2.432,335 1.474,336 3.421,337 2.2,338 1.2,339 1.422,340 2.64,341 1.165,342 1.907,343 1.018,344 3.011,345 1.782,346 0.821,347 0.87,348 1.543,349 0.781,350 1.451,351 0.679,352 2.809,353 1.247,354 0.276,355 0.303,356 0.534,357 0.265,358 1.087,359 0.51,360 2.346,361 0.885,362 -0.108,363 -0.122,364 -0.217,365 -0.106,366 0.839,367 0.51,368 2.313,369 0.527,370 -0.479,371 -0.561,372 -1.053,373 -0.476,374 0.485,375 0.476,376 2,377 0.223,378 -0.759,379 -0.858,380 -1.622,381 -0.7,382 0.46,383 0.324,384 2,385 0.033,386 -1,387 -1,388 -2,389 -0.7,390 0.344,391 -0.017,392 2,393 -0.011,394 -1,395 -1,396 -2.533,397 -0.733,398 10.69,399 0.445,400 0.748,401 0.031,402 23.5,403 0.979,404 9.5,405 0.396,406 14,407 0.583,408 22.497,409 0.937,410 29.51,411 0.656,412 20.31,413 0.846,414 4.581,415 0.191,416 6.671,417 0.278,418 0.22,419 0.047,420 0.234,421 3,422 0.625,423 1.03,424 0.733,425 1.278,426 0.626,427 1.122,428 0.459,429 0.807,430 0.727,431 1.177,432 0.371,433 1.114,434 0.524,435 0.747,436 0.705,437 1.001,438 0.421,439 0.964,440 0.932,441 0.789,442 0.967,443 0.931,444 0.786,445 0.957,446 0.638,447 0.916,448 0.729,449 1.125,450 0.597,451 1.02,452 0.787,453 0.977,454 0.805,455 0.955,456 0.851,457 0.911,458 0.978,459 1.219,460 0.859,461 1.107,462 0.963,463 0.978,464 1.216,465 1.092,466 1.187,467 0.833,468 1.218,469 0.948,470 6,471 0.12,472 2.889,473 1.063,474 1.213,475 0.944,476 0.693,477 0.502,478 0.181,479 0.146,480 5474,481 20729,482 1.83,483 46.7,484 11,485 5,487 1,488 2,489 2,490 1.672,491 1.665,492 3.308,493 -0.26,497 72.653,498 1.615,499 3.328,500 4.242,501 4.758,502 4.969,503 4.969,504 2.709,505 4.22,506 4.545,507 3.539,508 976.867,509 7.867,510 12013,511 1,513 247.133,514 1.697,515 4.465,516 0.25,517 0.009,518 0.09,519 0.033,520 0.043,521 0.031,522 0.023,523 0.019,524 0.008,525 0.01,526 0.517,527 0.17,528 1,529 2.446,530 115.655,531 -0.037,532 -0.021,533 -0.005,534 -0.02,535 -0.064,536 -0.003,537 0.35,538 0.227,539 0.142,540 -0.065,541 0.385,542 -0.068,543 0.177,544 -0.012,545 0.184,546 -0.006,547 0.236,548 0.064,549 -0.118,550 0.022,551 -0.036,552 0.041,553 -0.071,554 0.045,555 0.05,556 -0.169,557 0.157,558 -0.125,559 0.043,560 0.013,561 0.183,562 -0.073,563 0.182,564 -0.005,565 0.05,566 0.06,567 0.002,568 -0.252,569 0.125,570 -0.137,571 0.028,572 -0.002,573 0.144,574 0.121,575 -0.083,576 0.093,577 0.189,578 -0.052,579 6.212,580 4.444,581 0.25,582 24.771,583 1.032,584 1.152,585 3.404,586 11.585,587 0.617,588 3.219,589 3.497,590 3.584,591 3.638,592 3.871,593 3.951,594 3.97,595 3.85,596 3.714,597 3.555,598 6.362,599 0.607,600 346.38,601 3.219,602 4.727,603 5.509,604 6.351,605 7.169,606 8.019,607 8.854,608 9.709,609 10.554,610 11.413,616 3,617 3,619 6,621 1,622 1,623 45,624 8,625 1,626 24,627 45,628 17,629 6,630 3,631 3,632 1,633 1,634 1,635 2,636 1,637 6,638 8,639 9,641 2,643 2,645 2,649 3,650 21,651 7,652 1,653 7,656 1,657 4,663 1,666 1,671 1,673 1,675 1,676 3,677 24,680 1,681 7,683 1,685 1,686 3,687 8.9,689 1,690 2,692 1,693 14.417,694 8.129,695 5.472,696 2.997,699 1.396,700 1.224,701 0.878,702 8.103,703 7.624,704 3.401,705 3.861,706 4.238,707 4.599,708 5.124,709 5.327,710 5.513,711 5.404,712 5.411,713 5.209,714 0.857,715 32,716 9.796,717 4.893,718 8.649,719 16.071,720 12.46,721 3.149,722 75.583,725 235.422,726 82.471,728 103.973,729 44.88,731 82.471,732 339.395,733 44.88,734 8.825,735 19.8,736 28.429,737 99.017,738 67.495,740 235.422,741 7.76,742 235.422,743 82.471,744 148.853,746 211.88,747 172.396,749 36.384,750 46.087,752 280.302,753 103.973,754 82.471,757 243.182,758 37.458,759 37.254,761 148.853,762 235.422,763 148.853,764 82.471,765 0.572,766 0.301,767 0.127,768 0.075,769 11,770 7,771 0.222,772 10,774 1,775 3.486,776 169.369,778 6,779 105.284,781 20.344,782 9.56,783 7.171,785 148.853,786 3.6,787 -0.13,789 42.683,790 466.746,791 29,793 22.148,795 -3.209,797 46.451,798 51.839,799 0.294,800 0.606,801 0.772,802 0.866,803 0.905,804 0.905,805 4.63,806 1.2,807 5.533,808 2.928,809 4.174,810 4.543,811 3.55,812 6.33,813 4.077,814 5.824,815 0.821,816 7.109,817 2.64,818 4.007,819 4.494,820 4.029,821 7.548,822 3.729,823 7.132,824 0.276,825 8.81,826 1.543,827 5.82,828 6.607,829 5.682,830 10.473,831 5.588,832 8.479,833 -0.108,834 10.585,835 0.534,836 6.447,837 7.319,838 6.89,839 12.46,840 6.02,841 9.861,842 -0.479,843 12.407,844 -0.217,845 7.827,846 9.01,847 8.31,848 15.012,849 7.409,850 11.265,851 -0.759,852 14.259,853 -1.053,854 8.775,855 10.037,856 9.662,857 17.261,858 8.187,859 12.686,860 -1,861 16.131,862 -1.622,863 10.009,864 11.562,865 11.048,866 19.71,867 9.387,868 3.298,869 -1,870 18.018,871 -2,872 11.087,873 12.737,874 12.423,875 22.057,876 10.322,877 2.936,878 11.382,879 19.916,880 -2.533,881 12.273,882 14.186,883 13.804,884 24.479,885 11.443,886 2.515,887 9.346,888 21.823,889 3.98,890 13.405,891 15.44,892 15.184,893 26.869,894 12.449,895 1.885,896 7.785,897 23.736,898 3.499,899 14.579,900 16.851,901 16.564,902 29.287,903 13.538,904 1.725,905 4.868,906 25.654,907 3.182,908 15.734,909 18.151,910 17.945,911 31.695,912 14.579,913 1.443,914 3.674,915 27.578,916 2.127,917 16.907,918 19.543,919 19.325,920 34.115,921 15.657,922 1.24,923 3.337,924 29.505,925 1.878,926 18.075,927 20.871,928 20.705,929 36.533,930 16.714,931 5923,932 11929,933 14.504,934 27.767,935 35.163,936 35.24,937 36.073,938 34.917,939 34.677,940 41.343,941 16.515,942 96.072,943 32.936,944 5.35,945 6.59,946 7.023,947 5.218,948 5.298,949 6.98,950 5.705,951 18.294,952 4.981,953 16.625,954 1.465,955 1.468,956 1.503,957 1.455,958 1.445,959 1.723,960 0.688,961 4.003,962 1.372,963 3.976,964 3.991,965 3.932,966 3.895,967 8.516,968 3.899,969 3.757,970 3.822,971 3.64,972 3.634,973 7.999,974 3.614,975 3.636,976 3.653,977 3.589,978 3.392,979 7.999,980 3.437,981 3.515,982 3.582,983 3.356,984 3.348,985 7.475,986 3.332,987 3.297,988 3.305,989 3.223,990 3.034,991 7.418,992 3.079,993 3.124,994 3.197,995 2.952,996 2.894,997 6.351,998 2.886,999 3.02,1000 3.079,1001 2.883,1002 2.793,1003 4.803,1004 2.809,1005 2.749,1006 2.841,1007 2.566,1008 2.461,1009 4.307,1010 2.46,1011 0.184,1012 0.191,1013 0.294,1014 0.174,1015 0.137,1016 4.423,1017 0.166,1018 4.59,1019 0.166,1020 7.06,1021 0.474,1022 4.173,1023 0.124,1024 3.298,1025 3.98,1026 3.976,1027 11.382,1028 2.981,1029 1.929,1030 1.915,1031 2.043,1032 2.031,1033 1.375,1034 2.028,1035 1.772,1036 1.71,1037 2.007,1038 1.932,1039 1.189,1040 1.966,1041 1.527,1042 1.46,1043 1.829,1044 1.745,1045 1.099,1046 1.767,1047 1.475,1048 1.455,1049 1.6,1050 1.724,1051 0.753,1052 1.673,1053 1.187,1054 1.142,1055 1.532,1056 1.467,1057 0.735,1058 1.473,1059 1.053,1060 1.016,1061 1.228,1062 1.363,1063 0.398,1064 1.314,1065 0.917,1066 0.866,1067 1.159,1068 1.211,1069 0.18,1070 1.179,1071 0.739,1072 0.637,1073 1.057,1074 1.064,1075 0.101,1076 1.107,1077 3.892,1078 5.176,1080 6.637,1082 8.185,1084 9.781,1085 2.088,1086 37.332,1088 8.943,1089 4.321,1091 5.453,1093 -4.962,1094 27.331,1095 72.653,1096 149.772,1097 190.895,1098 214.114,1099 223.624,1100 223.624,1101 108.251,1102 6.229,1103 63.6,1104 63.6,1105 6,1106 11.968,1107 3.17,1108 2.585,1109 66.804,1110 85,1111 122,1112 0.369,1113 171.389,1114 319.57,1115 409.95,1116 3380,1117 6.7,1118 18.165,1119 0.757,1120 0.562,1121 15.665,1122 13.488,1123 11.252,1124 0.469,1125 0.327,1126 7.691,1127 10.619,1128 7.569,1129 6.304,1130 10.041,1131 7.844,1132 10.397,1133 0.325,1134 0.172,1135 8.523,1136 5.488,1137 7.186,1138 0.205,1139 0.099,1140 5.826,1141 3.48,1142 4.632,1143 0.125,1144 0.058,1145 4.43,1146 2.152,1147 3.769,1148 0.08,1149 0.03,1150 3.459,1151 1.419,1152 0.579,1153 72.404,1154 0.263,1155 23.749,1156 1.009,1157 112,1158 589.69,1159 139.092,1160 472.648,1161 582.83,1162 432,1163 123,1164 374.758,1165 143.359,1166 355.069,1167 533.19,1168 331,1169 5.77}
{0 CHEMBL332993,1 1.513,2 10.765,3 5.07,4 25.706,5 127.789,6 7.871,7 0.595,8 4.156,9 4.254,10 3.755,11 3.735,12 5.372,13 3.724,14 4.648,15 4.781,16 4.121,17 4.116,18 5.914,19 4.089,20 4.903,21 5.061,22 4.25,23 4.282,24 6.186,25 4.238,26 4.975,27 5.132,28 4.31,29 4.385,30 6.067,31 4.333,32 5.139,33 5.31,34 4.427,35 4.487,36 6.31,37 4.432,38 5.291,39 5.477,40 4.434,41 4.533,42 6.509,43 4.466,44 5.281,45 5.486,46 4.314,47 4.469,48 6.452,49 4.391,50 5.199,51 5.428,52 4.216,53 4.353,54 6.422,55 4.261,56 0.082,57 0.763,58 10.415,59 5.327,60 17.712,61 6.242,62 0.296,63 1.213,64 19.03,65 8.895,66 56.186,67 10.897,68 0.727,69 1.518,70 27.14,71 11.336,72 109.431,73 14.039,74 0.304,75 1.679,76 27.47,77 12.525,78 45.332,79 15.632,80 0.48,81 1.976,82 33.621,83 14.488,84 62.544,85 18.341,86 0.847,87 2.206,88 42.277,89 16.578,90 118.432,91 20.673,92 0.726,93 2.163,94 43.545,95 16.37,96 127.485,97 20.453,98 0.712,99 1.962,100 41.632,101 15.881,102 144.83,103 20.998,104 51,105 52,106 0.243,107 0.6,108 0.755,109 0.841,110 0.875,111 0.883,112 3.561,113 0.883,114 -3.55,115 -3.52,116 -3.36,117 46.6,118 1,119 2,122 1,126 11,127 5,128 1,129 1,130 2,132 1,133 2,134 1,135 1,136 1,137 1,138 1,139 18,142 6,143 1,144 1,145 2,147 21,149 3,150 7,152 1,153 2,154 1,155 22,158 1,159 1,160 6,163 1,165 22,166 1,167 1,169 2,170 10,171 1,172 1,173 1,175 2,177 22,178 2,180 1,181 2,182 12,184 1,185 2,186 5,188 21,189 1,190 3,192 9,193 1,196 3,198 17,199 2,200 2,202 1,203 11,204 1,206 1,208 4,209 1,211 14,212 2,213 2,214 1,215 1,216 11,217 1,218 2,219 1,220 5,221 1,222 9,223 2,224 3,225 2092,226 22.957,227 22.957,228 22.957,229 22.957,230 22.957,231 19.905,232 18.566,233 13.598,234 23.125,235 18.199,236 18.199,237 18.199,238 18.199,239 18.199,240 13.462,241 19.427,242 6.331,243 18.476,244 4.345,245 2.123,246 1.158,247 0.619,248 0.405,249 0.358,250 4.254,252 1,253 1,254 774,255 4.183,256 71.023,257 286.214,258 136.718,260 1.498,261 43.095,263 1,264 0.83,265 0.83,266 0.6,267 0.5,268 1,269 1,270 0.82,271 74,272 366,273 4.85,274 3.857,275 7.25,276 4.418,277 3.442,278 4.819,279 2.423,280 12.909,281 3.367,282 4.371,283 3.63,284 6.511,285 4.014,286 3.014,287 4.029,288 0.98,289 10.228,290 3.014,291 4.04,292 3.434,293 6.173,294 3.677,295 2.666,296 3.46,297 0.922,298 8.75,299 2.682,300 3.879,301 3.103,302 6.067,303 3.51,304 2.546,305 3.33,306 0.68,307 8.594,308 2.449,309 3.65,310 2.845,311 5.345,312 3.22,313 2.225,314 3.156,316 6.363,317 2.211,318 3.529,319 2.792,320 5.227,321 3.159,322 2.166,323 2.717,324 6.048,325 2.122,326 3.375,327 2.35,328 4.893,329 2.929,330 1.954,331 2.656,332 5.257,333 1.896,334 3.009,335 2.154,336 4.586,337 2.6,338 1.628,339 2.198,340 4.63,341 1.574,342 2.971,343 1.892,344 4.151,345 2.521,346 1.524,347 2.164,348 3.681,349 1.515,350 2.882,351 1.585,352 3.808,353 2.45,354 1.451,355 2.039,356 3.108,357 1.449,358 2.715,359 1.493,360 3.732,361 2.238,362 1.248,363 1.739,364 2.866,365 1.229,366 2.5,367 1.435,368 3.607,369 2,370 1,371 1.5,372 2.396,373 1,374 2.5,375 1.172,376 3.436,377 2,378 1,379 1.5,380 2.136,381 1,382 2.365,383 1,384 3.247,385 1.914,386 0.888,387 1.148,388 2.055,389 0.9,390 1.862,391 1,392 3.165,393 1.56,394 0.617,395 0.731,396 1.399,397 0.567,398 15.967,399 0.47,400 0.84,401 0.025,402 46,403 1.353,404 25,405 0.735,406 21,407 0.618,408 29.461,409 0.866,410 35.633,411 0.614,412 41.386,413 1.217,414 9.434,415 0.277,416 6.984,417 0.205,418 0.14,420 0.37,422 0.747,423 1.061,424 0.752,425 0.951,426 0.677,427 0.864,428 0.645,429 1.076,430 0.776,431 0.997,432 0.47,433 0.929,434 0.73,435 0.871,436 0.875,437 0.852,438 0.712,439 0.887,440 0.707,441 1.132,442 0.916,443 1.096,444 0.602,445 1.057,446 0.692,447 1.122,448 0.92,449 1.107,450 0.674,451 1.065,452 0.991,453 1.05,454 1.076,455 1.051,456 1.017,457 1.076,458 1.153,459 0.993,460 1.125,461 1.014,462 1.145,463 1.049,464 0.771,465 0.968,466 0.893,467 0.997,468 0.806,469 0.974,470 5.5,471 0.194,472 3.778,473 2.986,474 2.367,475 1.73,476 1.114,477 0.928,478 0.548,479 0.302,480 13926,481 42797,482 2.042,483 41.4,484 5,485 13,486 1,487 3,488 2,490 1.77,491 1.889,492 3.366,493 0.782,497 87.732,498 1.513,499 3.735,500 4.7,501 5.239,502 5.453,503 5.5,504 2.836,505 4.735,506 5.056,507 3.521,508 1975.5,509 8.93,510 28771.4,513 339.763,514 1.484,515 5.006,516 0.149,517 0.007,518 0.073,519 0.051,520 0.038,521 0.025,522 0.017,523 0.016,524 0.011,525 0.007,526 0.394,527 0.33,528 1,529 1.29,530 177.568,531 -0.072,532 0.033,533 0.014,534 0.052,535 -0.093,536 0.053,537 0.107,538 -0.03,539 0.064,540 0.004,541 0.136,542 0.019,543 0.186,544 0.151,545 0.035,546 0.139,547 0.121,548 0.07,549 -0.011,550 -0.101,551 -0.053,552 -0.096,553 -0.018,554 -0.087,555 0.064,556 -0.087,557 -0.024,558 -0.121,559 0.03,560 -0.096,561 -0.01,562 -0.049,563 -0.111,564 -0.075,565 -0.059,566 -0.109,567 -0.157,568 -0.004,569 -0.13,570 -0.041,571 -0.138,572 -0.069,573 0.1,574 -0.02,575 0.124,576 -0.003,577 0.112,578 0.056,579 2.816,580 5.923,581 0.618,582 32.824,583 1.01,584 1.114,585 2.32,586 5.381,587 0.684,588 3.638,589 3.97,590 4.29,591 4.625,592 4.927,593 5.063,594 5.226,595 5.371,596 5.451,597 5.485,598 6.46,599 0.662,600 456.53,601 3.638,602 5.187,603 6.057,604 6.959,605 7.863,606 8.78,607 9.698,608 10.624,609 11.55,610 12.48,611 3.4,613 1,614 1,615 1,616 12,617 7,619 22,620 1,622 1,623 58,624 25,625 2,626 37,627 61,628 27,629 20,630 3,631 9,632 2,633 4,634 5,635 1,637 2,638 23,639 4,641 3,643 3,645 3,650 24,651 6,652 3,653 7,655 2,656 0.75,657 5,660 1,661 1,662 1,663 3,664 1,667 1,668 1,671 1,673 3,675 1,677 34,678 1,680 1,681 3,683 1,687 8.6,689 1,690 3,692 1,693 18,694 10.65,695 7.611,696 3.467,699 4.541,700 1.561,701 0.979,702 6.92,703 12.638,704 3.951,705 4.577,706 5.218,707 5.874,708 6.481,709 6.843,710 7.304,711 7.745,712 8.059,713 8.389,714 1,715 58,716 12.64,717 5.498,718 8.01,719 23.446,720 19.174,721 2.51,722 85.333,724 1,725 247.193,726 168.593,727 34.184,728 129.118,731 168.593,732 376.311,733 34.184,734 8.825,735 42.559,736 113.286,737 128.866,738 33.458,739 16.672,740 235.422,742 247.193,743 202.777,744 129.118,746 247.193,747 129.118,749 52.67,750 150.106,752 247.193,753 163.302,754 168.593,757 247.193,758 46.482,759 123.398,761 162.015,762 247.193,763 163.302,764 168.593,765 0.576,766 0.342,767 0.197,768 0.121,769 24,770 12,771 0.148,772 9,773 1,774 1.095,775 4.165,776 337.032,777 0.095,778 21,779 168.974,781 23.432,782 10.041,783 4.677,784 0.344,785 162.015,786 23.074,787 5.008,789 75.581,790 579.088,791 51,793 35.952,795 -3.057,797 58.56,798 64.611,799 0.258,800 0.638,801 0.802,802 0.894,803 0.931,804 0.939,805 5.185,806 1.628,807 6.052,808 5.257,809 4.654,810 5.265,811 2.712,812 6.923,813 4.625,814 6.412,815 1.524,816 7.645,817 4.63,818 4.29,819 5.147,820 2.243,821 7.982,822 4.254,823 7.738,824 1.451,825 9.348,826 3.681,827 6.286,828 7.531,829 3.884,830 11.16,831 6.228,832 9.105,833 1.248,834 11.117,835 3.108,836 6.781,837 8.288,838 4.238,839 13.106,840 6.714,841 10.51,842 1,843 12.929,844 2.866,845 8.257,846 10.153,847 5.446,848 15.827,849 8.169,850 11.942,851 1,852 14.772,853 2.396,854 9.146,855 11.333,856 6.111,857 18.132,858 9.044,859 13.398,860 0.888,861 16.637,862 2.136,863 10.434,864 12.999,865 7.14,866 20.718,867 10.312,868 3.442,869 0.617,870 18.52,871 2.055,872 11.504,873 14.384,874 7.928,875 23.168,876 11.363,877 3.014,878 12.909,879 20.417,880 1.399,881 12.73,882 15.977,883 8.879,884 25.72,885 12.568,886 2.666,887 10.228,888 22.324,889 4.819,890 13.881,891 17.458,892 9.719,893 28.229,894 13.697,895 2.546,896 8.75,897 24.242,898 4.029,899 15.092,900 19.026,901 10.635,902 30.775,903 14.885,904 2.225,905 8.594,906 26.167,907 3.46,908 16.28,909 20.553,910 11.499,911 33.31,912 16.049,913 2.166,914 6.363,915 28.099,916 3.33,917 17.492,918 22.115,919 12.399,920 35.858,921 17.237,922 1.954,923 6.048,924 30.037,925 3.156,926 18.698,927 23.663,928 13.274,929 38.404,930 18.419,931 13640,932 24085,933 24.274,934 39.659,935 56.223,936 58.33,937 58.205,938 55.522,939 55.475,940 75.305,941 10.01,942 162.235,943 54.686,944 5.668,945 5.857,946 7.052,947 5.469,948 5.442,949 7.819,950 4.104,951 20.552,952 5.367,953 18.909,954 1.52,955 1.576,956 1.573,957 1.501,958 1.499,959 2.035,960 0.271,961 4.385,962 1.478,963 4.187,964 4.216,965 4.162,966 4.087,967 7.503,968 4.101,969 3.984,970 4.008,971 3.932,972 3.935,973 7.474,974 3.933,975 3.747,976 3.781,977 3.665,978 3.687,979 7.355,980 3.677,981 3.628,982 3.651,983 3.575,984 3.484,985 6.351,986 3.49,987 3.542,988 3.557,989 3.482,990 3.285,991 4.962,992 3.326,993 3.477,994 3.519,995 3.36,996 3.243,997 4.869,998 3.277,999 3.255,1000 3.322,1001 3.079,1002 3.109,1003 4.821,1004 3.092,1005 3.05,1006 3.109,1007 2.934,1008 2.89,1009 4.611,1010 2.891,1011 0.131,1012 0.104,1013 0.196,1014 0.119,1015 0.093,1016 4.85,1017 0.13,1018 3.857,1019 0.065,1020 7.25,1021 0.349,1022 4.418,1023 0.091,1024 3.442,1025 4.819,1026 2.423,1027 12.909,1028 3.367,1029 2.012,1030 1.989,1031 2.108,1032 2.096,1033 1.287,1034 2.095,1035 1.912,1036 1.886,1037 1.989,1038 2.038,1039 1.143,1040 2.031,1041 1.794,1042 1.766,1043 1.934,1044 1.893,1045 1.116,1046 1.905,1047 1.705,1048 1.673,1049 1.875,1050 1.821,1051 0.966,1052 1.837,1053 1.4,1054 1.383,1055 1.599,1056 1.703,1057 0.742,1058 1.654,1059 1.381,1060 1.347,1061 1.569,1062 1.663,1063 0.69,1064 1.64,1065 1.264,1066 1.201,1067 1.492,1068 1.451,1069 0.516,1070 1.477,1071 1.007,1072 0.956,1073 1.236,1074 1.244,1075 0.288,1076 1.246,1077 4.317,1078 5.645,1079 2.398,1080 7.179,1081 4.949,1082 8.811,1083 7.248,1084 10.501,1085 1.9,1087 5.384,1088 9.08,1089 0.365,1091 5.483,1094 38.412,1095 87.732,1096 216.65,1097 272.59,1098 303.889,1099 316.253,1100 319.008,1101 79.641,1102 8.097,1103 111.1,1104 111.1,1105 23,1106 12.983,1107 4.7,1108 3.907,1109 56.262,1110 128,1111 140,1112 0.213,1113 235.704,1114 414.25,1115 566.877,1116 36877,1118 24.242,1119 0.713,1120 0.549,1121 24.242,1122 18.654,1123 16.418,1124 0.444,1125 0.294,1126 10.764,1127 15.883,1128 10.512,1129 8.715,1130 16.418,1131 10.888,1132 14.662,1133 0.282,1134 0.15,1135 14.662,1136 7.821,1137 12.233,1138 0.17,1139 0.08,1140 12.233,1141 5.75,1142 10.393,1143 0.103,1144 0.043,1145 10.393,1146 4.341,1147 9.179,1148 0.067,1149 0.023,1150 9.179,1151 3.163,1152 0.323,1153 102.551,1154 0.203,1155 30.583,1156 0.625,1157 178,1158 560.049,1159 194.064,1160 538.249,1161 724.14,1162 500,1163 213,1164 522.112,1165 228.569,1166 527.96,1167 776.95,1168 498,1169 5.886}
{0 CHEMBL33408,1 1.729,2 6.526,3 3.171,4 10.055,5 60.68,6 10.315,7 0.55,8 3.409,9 3.465,10 3.193,11 2.984,12 4.848,13 3.038,14 3.913,15 3.986,16 3.7,17 3.34,18 5.999,19 3.401,20 4.093,21 4.194,22 3.709,23 3.464,24 5.973,25 3.497,26 4.122,27 4.245,28 3.588,29 3.38,30 5.687,31 3.42,32 4.124,33 4.279,34 3.576,35 3.171,36 5.804,37 3.278,38 3.94,39 4.088,40 3.427,41 2.77,42 5.789,43 2.988,44 3.654,45 3.785,46 3.052,47 2.173,48 5.746,49 2.494,50 3.182,51 3.316,52 2.678,53 1.335,54 5.892,55 1.707,56 0.312,57 0.549,58 1.808,59 2.545,60 69.607,61 1.877,62 0.892,63 1.215,64 4.165,65 4.166,66 176.554,67 3.149,68 0.866,69 0.892,70 6.357,71 5.042,72 180.235,73 4.551,74 0.808,75 0.928,76 7.289,77 5.206,78 159.431,79 4.526,80 0.994,81 1.034,82 10.555,83 5.162,84 196.964,85 4.434,86 0.961,87 0.932,88 9.102,89 4.096,90 187.494,91 2.816,92 0.911,93 0.622,94 7.669,95 2.737,96 185.738,97 1.252,98 0.883,99 0.278,100 6.254,101 1.486,102 173.792,103 0.823,104 42,105 30,106 0.338,107 0.606,108 0.737,109 0.854,110 0.884,111 0.884,112 3.012,113 0.777,114 -4.3,115 -4.24,116 -4,117 50,124 1,126 6,127 4,132 1,133 1,137 1,138 1,139 11,140 1,142 2,145 1,146 1,147 14,148 2,150 4,154 2,155 12,156 2,160 5,163 2,165 6,166 2,170 5,175 2,177 2,178 2,182 3,183 1,186 2,189 1,191 1,192 1,194 1,196 1,225 404,226 11.886,227 11.886,228 11.886,229 11.886,230 11.886,231 10.429,232 6,233 6.677,234 12.119,235 9.817,236 9.817,237 9.817,238 9.817,239 9.817,240 7.499,241 4.422,242 3.119,243 10.247,244 2.972,245 1.607,246 0.933,247 0.337,248 0.183,249 0.183,250 3.656,252 1,253 1,254 248,255 3.742,257 89.326,259 76.849,260 1.025,261 48.598,263 1,264 1,265 1,266 0.4,268 1,269 1,270 0.77,271 45.5,272 124,273 4.652,274 4.574,275 7.233,276 4.313,277 3.391,278 4.517,279 3.904,280 12.145,281 3.217,282 4.306,283 3.582,284 6.498,285 3.943,286 2.994,287 3.625,288 1.437,289 10.065,290 2.807,291 3.945,292 3.221,293 5.874,294 3.574,295 2.587,296 3.347,297 0.766,298 7.997,299 2.515,300 3.44,301 2.792,302 5.353,303 3.026,304 2.06,305 2.743,307 6.464,308 1.938,309 3.006,310 1.946,311 4.336,312 2.502,313 1.501,314 2.217,316 3.807,317 1.497,318 2.74,319 1.807,320 3.868,321 2.223,322 1.219,323 1.765,324 2.96,325 1.205,326 2.627,327 1.391,328 3.728,329 2.115,330 1.109,331 1.576,332 2.658,333 1.091,334 2.16,335 0.868,336 3.323,337 1.611,338 0.585,339 0.884,340 1.459,341 0.591,342 1.145,343 0.51,344 2.582,345 0.661,346 -0.359,347 -0.512,348 -0.911,349 -0.362,350 0.916,351 0.51,352 2.405,353 0.42,354 -0.583,355 -0.864,356 -1.468,357 -0.584,358 0.552,359 0.45,360 2.249,361 0.072,362 -0.951,363 -1,364 -2,365 -0.7,366 0.429,367 -0.048,368 2,369 -0.014,370 -1,371 -1,372 -2.849,373 -0.7,374 0.028,375 -0.411,376 2,377 -0.3,378 -1,379 -1.286,380 -3,381 -0.939,383 -0.589,384 2,385 -0.3,386 -1,387 -1.441,388 -3,389 -0.99,391 -0.934,392 1.656,393 -0.363,394 -1.387,395 -1.852,396 -4.082,397 -1.418,398 8.357,399 0.44,400 0.782,401 0.041,402 24.5,403 1.289,404 13,405 0.684,406 11.5,407 0.605,408 11.828,409 0.623,410 21.043,411 0.809,412 20.546,413 1.081,414 5.296,415 0.279,416 3.508,417 0.185,418 0.222,419 0.06,420 0.359,421 3,422 0.626,423 0.747,424 0.548,425 0.851,426 0.693,427 0.757,428 0.387,429 0.595,430 0.536,431 0.88,432 0.429,433 0.904,434 0.43,435 0.673,436 0.669,437 0.975,438 0.437,439 1.057,440 0.763,441 0.841,442 0.94,443 1.157,444 0.78,445 1.229,446 1.141,447 1.158,448 1.014,449 1.116,450 1.136,451 1.029,452 1.678,453 1.554,454 1.283,455 1.242,456 1.624,457 1.013,458 2.104,459 1.555,460 1.796,461 1.025,462 2.063,463 0.983,464 1.274,465 1.093,466 1.569,467 0.283,468 1.245,469 0.678,470 5.5,472 3.111,473 1.5,474 1.427,475 0.965,476 0.59,477 0.326,480 2550,481 13641,482 1.894,483 26.9,485 6,487 1,490 1.611,491 1.689,492 2.768,493 -0.198,496 1,497 44.944,498 1.729,499 3.094,500 3.767,501 4.364,502 4.518,503 4.518,504 2.165,505 3.682,506 4.222,507 2.876,508 491.781,509 7.229,510 4756.5,511 1,512 1,513 122.211,514 1.799,515 4.109,516 0.275,518 0.104,519 0.048,520 0.053,521 0.039,522 0.03,523 0.027,526 0.575,527 0.83,528 1,529 1.314,530 80.174,531 -0.044,532 0.041,533 -0.034,534 0.102,535 -0.111,536 0.08,537 0.421,538 0.418,539 0.119,540 0.096,541 0.368,542 -0.072,543 0.237,544 0.049,545 0.106,546 -0.033,547 0.254,548 -0.082,549 -0.074,550 -0.166,551 -0.067,552 -0.228,553 -0.077,554 -0.204,555 -0.206,556 -0.251,557 0.07,558 -0.156,559 -0.196,560 0.038,561 -0.445,562 -0.346,563 -0.118,564 -0.263,565 -0.404,566 -0.042,567 -0.569,568 -0.27,569 -0.51,570 -0.067,571 -0.535,572 -0.11,573 0.751,574 0.491,575 0.062,576 0.717,577 0.738,578 0.207,579 6.243,580 4.456,581 0.526,582 10.881,583 1.075,584 1.143,585 3.075,586 9.455,587 0.692,588 3.045,589 3.434,590 3.638,591 3.829,592 4.094,593 4.159,594 4.205,595 4.143,596 3.989,597 3.714,598 4.304,599 0.728,600 268.2,601 3.045,602 4.615,603 5.46,604 6.361,605 7.235,606 8.138,607 9.021,608 9.924,609 10.811,610 11.714,615 2,616 6,617 2,619 11,620 1,621 1,623 26,624 13,625 2,626 20,627 27,628 13,629 10,630 4,631 6,632 2,633 2,634 3,635 1,636 1,638 12,639 1,641 2,643 2,645 2,648 1,649 3,650 7,651 6,652 1,653 6,656 0.5,657 3,663 2,665 1,671 1,673 1,676 3,677 19,680 1,685 1,686 3,687 11.5,689 1,690 2,693 11.25,694 4.712,695 4.028,696 1.386,699 2.553,700 1.405,701 0.944,702 3.131,703 8.861,704 3.35,705 3.998,706 4.605,707 5.186,708 5.825,709 6.188,710 6.586,711 6.849,712 7.12,713 6.986,714 1,715 31,716 7.918,717 4.373,718 9.039,719 12.009,720 9.73,721 3.539,722 67.25,725 70.627,726 82.177,728 92.973,729 44.88,731 82.177,732 163.6,733 44.88,736 56.857,737 99.017,738 56.397,740 70.627,741 7.76,742 70.627,743 82.177,744 137.854,746 70.627,747 137.854,749 7.76,750 74.418,752 115.507,753 92.973,754 82.177,757 78.386,758 17.56,759 56.857,761 137.854,762 70.627,763 137.854,764 82.177,765 0.609,766 0.34,767 0.159,768 0.093,769 15,770 8,771 0.074,772 2,773 1,774 1.2,775 2.884,776 140.414,777 0.2,778 10,779 75.956,781 13.255,782 4.488,783 2.491,784 0.352,785 137.854,786 7.564,787 -0.719,789 42.683,790 290.658,791 27.5,793 22.104,795 -3.253,797 27.938,798 29.723,799 0.368,800 0.658,801 0.801,802 0.928,803 0.961,804 0.961,805 4.613,806 0.585,807 5.541,808 2.658,809 4.111,810 4.682,811 3.341,812 6.441,813 4.041,814 5.889,815 -0.359,816 7.182,817 1.459,818 4.111,819 4.758,820 3.903,821 7.748,822 3.889,823 7.248,824 -0.583,825 8.935,826 -0.911,827 5.866,828 6.983,829 5.56,830 10.755,831 5.702,832 8.643,833 -0.951,834 10.751,835 -1.468,836 6.594,837 7.803,838 6.78,839 12.781,840 6.287,841 10.066,842 -1,843 12.605,844 -2,845 7.96,846 9.598,847 8.189,848 15.421,849 7.672,850 11.509,851 -1,852 14.483,853 -2.849,854 8.965,855 10.762,856 9.529,857 17.712,858 8.569,859 12.968,860 -1,861 16.38,862 -3,863 10.208,864 12.383,865 10.898,866 20.243,867 9.797,868 3.391,869 -1.387,870 18.289,871 -3,872 11.324,873 13.718,874 12.257,875 22.643,876 10.831,877 2.994,878 12.145,879 20.209,880 -4.082,881 12.53,882 15.266,883 13.62,884 25.14,885 12.001,886 2.587,887 10.065,888 22.137,889 4.517,890 13.694,891 16.687,892 14.981,893 27.587,894 13.098,895 2.06,896 7.997,897 24.072,898 3.625,899 14.892,900 18.205,901 16.343,902 30.075,903 14.25,904 1.501,905 6.464,906 26.013,907 3.347,908 16.077,909 19.668,910 17.705,911 32.544,912 15.376,913 1.219,914 3.807,915 27.958,916 2.743,917 17.276,918 21.176,919 19.067,920 35.032,921 16.526,922 1.109,923 2.96,924 29.908,925 2.217,926 18.473,927 22.661,928 20.429,929 37.513,930 17.667,931 2721,932 6380,933 12.137,934 17.983,935 31.749,936 31.665,937 32.426,938 31.175,939 30.891,940 41.348,941 12.212,942 95.11,943 29.722,944 5.432,945 6.574,946 6.762,947 5.313,948 5.391,949 7.517,950 5.553,951 19.981,952 5.217,953 12.382,954 1.587,955 1.583,956 1.621,957 1.559,958 1.545,959 2.067,960 0.611,961 4.755,962 1.486,963 4.105,964 4.119,965 4.072,966 4.064,967 8.516,968 4.063,969 3.646,970 3.657,971 3.644,972 3.495,973 7.999,974 3.512,975 3.476,976 3.495,977 3.451,978 3.243,979 7.999,980 3.288,981 3.142,982 3.154,983 3.071,984 2.908,985 7.475,986 2.942,987 2.966,988 3.001,989 2.903,990 2.764,991 7.418,992 2.794,993 2.623,994 2.674,995 2.552,996 2.427,997 6.351,998 2.434,999 2.538,1000 2.571,1001 2.426,1002 2.209,1003 4.849,1004 2.266,1005 2.23,1006 2.274,1007 2.074,1008 1.829,1009 4.258,1010 1.918,1011 0.233,1012 0.229,1013 0.362,1014 0.216,1015 0.17,1016 4.652,1017 0.226,1018 4.574,1019 0.195,1020 7.233,1021 0.607,1022 4.313,1023 0.161,1024 3.391,1025 4.517,1026 3.904,1027 12.145,1028 3.217,1029 2.083,1030 2.071,1031 2.151,1032 2.138,1033 1.305,1034 2.142,1035 1.559,1036 1.544,1037 1.673,1038 1.734,1039 0.733,1040 1.692,1041 1.312,1042 1.3,1043 1.382,1044 1.584,1045 0.426,1046 1.513,1047 1.013,1048 0.996,1049 1.16,1050 1.304,1051 0.108,1052 1.257,1053 0.863,1054 0.837,1055 1.024,1056 1.11,1057 0.056,1058 1.094,1059 0.58,1060 0.522,1061 0.877,1062 0.819,1064 0.839,1065 0.369,1066 0.325,1067 0.663,1068 0.736,1070 0.693,1071 0.014,1073 0.381,1074 0.498,1076 0.442,1077 3.714,1078 5.081,1080 6.642,1082 8.288,1084 9.979,1086 37.368,1088 8.826,1093 -4.993,1094 18.928,1095 44.944,1096 80.437,1097 97.947,1098 113.457,1099 117.457,1100 117.457,1101 54.139,1102 6.308,1103 54.37,1104 54.37,1105 12,1106 12.237,1107 3.807,1108 3.087,1109 33.329,1110 48,1111 44,1112 0.357,1113 115.776,1114 213.04,1115 274.252,1116 3494,1117 11.5,1118 14.207,1119 0.748,1120 0.493,1121 11.707,1122 9.362,1123 8.804,1124 0.44,1125 0.259,1126 5.062,1127 8.307,1128 5.023,1129 4.101,1130 7.592,1131 5.181,1132 8.991,1133 0.3,1134 0.129,1135 7.08,1136 3.874,1137 6.702,1138 0.181,1139 0.071,1140 5.55,1141 2.631,1142 4.883,1143 0.109,1144 0.039,1145 4.448,1146 1.756,1147 4.095,1148 0.069,1149 0.021,1150 3.651,1151 1.224,1152 0.526,1153 56.803,1154 0.287,1155 18.34,1156 1.09,1157 100,1158 555.954,1159 123.549,1160 450.051,1161 561.2,1162 410,1163 117,1164 369.303,1165 134.036,1166 354.523,1167 538.49,1168 331,1169 5.62}
{0 CHEMBL34162,1 1.327,2 19.829,3 8.892,4 79.062,5 143.574,6 6.309,7 0.306,8 4.401,9 4.53,10 3.926,11 3.969,12 5.313,13 3.862,14 5.005,15 5.199,16 4.148,17 4.357,18 6.078,19 4.198,20 5.321,21 5.595,22 4.211,23 4.51,24 6.134,25 4.306,26 5.351,27 5.615,28 4.212,29 4.487,30 6.26,31 4.288,32 5.334,33 5.604,34 4.137,35 4.425,36 6.23,37 4.23,38 5.278,39 5.551,40 4.076,41 4.347,42 6.15,43 4.157,44 5.253,45 5.522,46 3.952,47 4.281,48 6.384,49 4.082,50 5.169,51 5.462,52 3.686,53 4.221,54 5.897,55 3.991,56 0.148,57 1.036,58 23.347,59 9.492,60 18.999,61 11.836,62 0.623,63 1.68,64 37.723,65 15.731,66 85.057,67 20.137,68 0.351,69 2.117,70 51.939,71 20.668,72 54.593,73 26.147,74 0.481,75 2.106,76 54.937,77 20.642,78 77.66,79 25.578,80 0.498,81 2.022,82 53.405,83 19.611,84 74.967,85 24.61,86 0.489,87 1.902,88 50.998,89 18.031,90 75.67,91 23.233,92 1.109,93 1.803,94 48.089,95 16.956,96 178.669,97 22.313,98 0.408,99 1.702,100 42.423,101 15.998,102 56.136,103 21.418,104 48,105 45,106 0.205,107 0.414,108 0.518,109 0.61,110 0.672,111 0.728,112 3.587,113 1.273,114 -8.03,115 -7.78,116 -7.17,117 36.3,118 1,119 16,122 1,126 6,127 3,128 1,133 1,137 3,138 2,139 25,140 1,141 1,142 2,145 3,146 1,147 26,148 4,150 7,154 4,155 23,156 6,160 10,163 6,165 18,166 5,170 9,175 5,177 16,178 4,179 1,182 6,183 3,186 4,187 2,188 16,189 2,191 2,192 3,194 3,195 1,196 2,198 18,199 1,203 2,208 1,211 18,212 2,216 3,220 2,222 17,223 2,225 2824,226 23.622,227 23.622,228 23.622,229 23.622,230 23.622,231 22.097,232 4.434,233 15.18,234 23.679,235 17.804,236 17.804,237 17.804,238 17.804,239 17.804,240 15.39,241 1.651,242 7.295,243 17.893,244 4.995,245 3.647,246 2.97,247 2.38,248 1.975,249 1.615,250 4.261,254 1421,255 5.385,257 230.223,259 195.72,260 3.063,261 40.164,263 0.5,264 0.5,265 0.5,266 0.8,267 1,268 0.5,269 0.5,270 0.61,271 74.667,272 694,273 4.785,274 3.587,275 7.423,276 4.451,277 3.454,278 4.591,279 1.437,280 12.997,281 3.443,282 4.29,283 3.459,284 6.286,285 3.881,286 2.882,287 3.844,289 9.419,290 2.874,291 3.91,292 2.786,293 5.833,294 3.515,295 2.514,296 3.349,298 7.846,299 2.506,300 3.193,301 2.014,302 4.96,303 2.973,304 1.974,305 2.484,307 5.244,308 1.972,309 3.002,310 1.956,311 4.178,312 2.893,313 1.897,314 2.208,316 3.943,317 1.89,318 2.973,319 1.903,320 3.971,321 2.775,322 1.785,323 1.973,324 3.776,325 1.767,326 2.892,327 1.84,328 3.89,329 2.706,330 1.708,331 1.893,332 3.585,333 1.704,334 2.763,335 1.713,336 3.788,337 2.565,338 1.57,339 1.764,340 3.473,341 1.562,342 2.72,343 1.601,344 3.748,345 2.497,346 1.495,347 1.738,348 3.119,349 1.492,350 2.587,351 1.434,352 3.602,353 2.348,354 1.358,355 1.585,356 2.828,357 1.342,358 2.374,359 1.382,360 3.463,361 2.193,362 1.187,363 1.371,364 2.666,365 1.18,366 2.251,367 1.19,368 3.332,369 2.093,370 1.108,371 1.152,372 2.173,373 1.088,374 2.113,375 0.915,376 3.162,377 1.829,378 0.845,379 1.073,380 1.898,381 0.828,382 1.838,383 0.78,384 2.943,385 1.742,386 0.743,387 0.825,388 1.556,389 0.741,390 1.541,391 0.593,392 2.721,393 1.501,394 0.52,395 0.527,396 0.984,397 0.508,398 17.167,399 0.49,400 0.632,401 0.018,402 32.5,403 0.929,404 13,405 0.371,406 19.5,407 0.557,408 42.119,409 1.203,410 41.633,411 0.52,412 22.814,413 0.652,414 4.827,415 0.138,416 12.126,417 0.346,418 0.107,419 0.058,420 0.146,422 0.915,423 1.302,424 1,425 1.428,426 0.794,427 1.195,428 0.479,429 1.23,430 0.998,431 1.158,432 0.371,433 1.211,434 0.671,435 0.994,436 0.887,437 1.02,438 0.559,439 0.931,440 1.069,441 1.026,442 1.028,443 1.083,444 0.996,445 0.968,446 1.123,447 0.996,448 1.005,449 1.04,450 1.029,451 0.939,452 1.099,453 1.036,454 0.96,455 1.079,456 0.997,457 0.968,458 0.824,459 0.938,460 0.965,461 0.937,462 0.82,463 0.974,464 0.87,465 0.941,466 0.94,467 0.898,468 0.848,469 0.98,470 5,471 0.107,472 3.111,473 1.75,474 1.404,475 1,476 0.61,477 0.267,478 0.164,479 0.131,480 22326,481 44583,482 1.958,483 56.3,484 33,485 8,487 2,489 2,490 1.756,491 1.85,492 4.167,493 0.105,497 106.13,498 1.327,499 2.675,500 3.352,501 3.942,502 4.347,503 4.707,504 3.636,505 4.901,506 5.093,507 4.424,508 2632.34,509 8.88,510 49210.7,513 505.754,514 1.322,515 5.062,516 0.139,517 0.004,518 0.069,519 0.037,520 0.031,521 0.024,522 0.016,523 0.008,524 0.006,525 0.005,526 0.34,527 0.17,528 0.63,529 3.421,530 200.679,531 -0.16,532 0.007,533 0.17,534 -0.039,535 -0.108,536 0.031,537 0.359,538 -0.089,539 0.003,540 -0.054,541 0.337,542 -0.108,543 0.05,544 0.023,545 0.129,546 0.055,547 0.09,548 0.09,549 -0.013,550 -0.024,551 0.053,552 0.008,553 0.021,554 0.028,555 -0.017,556 -0.017,557 0.052,558 0.003,559 0.011,560 0.038,561 -0.041,562 -0.061,563 0.069,564 -0.063,565 0.004,566 0.008,567 0.376,568 0.012,569 0.013,570 -0.011,571 0.38,572 -0.022,573 -0.052,574 0.008,575 -0.036,576 0.003,577 -0.054,578 -0.012,579 4.829,580 5.857,581 0.286,582 57.566,583 0.987,584 1.129,585 6.801,586 46.259,587 0.631,588 3.611,589 3.829,590 3.989,591 4.159,592 4.357,593 4.419,594 4.489,595 4.419,596 4.431,597 4.317,598 11.232,599 0.57,600 504.71,601 3.611,602 5.094,603 5.883,604 6.715,605 7.541,606 8.395,607 9.243,608 10.114,609 10.978,610 11.861,615 2,616 6,617 2,619 11,621 1,623 80,624 13,625 2,626 36,627 81,628 29,629 10,630 4,631 6,632 1,633 2,634 3,635 1,637 16,638 11,639 18,641 2,643 2,645 1,646 1,650 45,651 5,652 2,653 6,654 1,656 0.5,657 5,658 1,659 1,663 2,665 1,671 2,673 1,675 1,677 35,680 2,681 17,683 1,687 6.3,688 1,689 1,690 2,691 1,693 18.917,694 13.85,695 8.208,696 5.853,698 1,699 2.386,700 1.327,701 0.914,702 14.468,703 9.689,704 3.795,705 4.256,706 4.745,707 5.296,708 5.887,709 6.237,710 6.641,711 6.87,712 7.181,713 7.096,714 0.923,715 47,716 13.42,717 5.764,718 7.733,719 25.924,720 21.21,721 2.233,722 78.139,725 514.115,726 120.425,728 132.145,730 7.958,731 120.425,732 638.302,734 8.825,735 45.145,736 101.947,737 95.923,738 8.688,740 506.157,742 506.157,743 120.425,744 132.145,745 7.958,746 482.615,747 111.634,748 44.053,749 53.97,750 66.455,751 7.958,752 506.157,753 132.145,754 120.425,755 7.958,756 7.958,757 506.157,758 54.743,759 65.683,761 132.145,762 506.157,763 132.145,764 128.383,765 0.548,766 0.297,767 0.149,768 0.081,769 14,770 7,771 0.247,772 20,773 1,774 1.2,775 4.856,776 274.363,777 0.2,778 10,779 179.525,781 29.722,782 17.037,783 11.395,784 1.165,785 132.145,786 9.612,787 0.248,789 79.815,790 766.686,791 43.5,793 24.146,795 -1.066,796 -4.023,797 78.934,798 90.32,799 0.21,800 0.423,801 0.53,802 0.624,803 0.688,804 0.745,805 4.989,806 1.57,807 5.832,808 3.585,809 4.511,810 4.942,811 1.635,812 6.6,813 4.501,814 6.14,815 1.495,816 7.365,817 3.473,818 4.007,819 4.808,821 7.776,822 4.003,823 7.433,824 1.358,825 9.038,826 3.119,827 6.075,828 7.112,829 2.253,830 10.845,831 6.06,832 8.783,833 1.187,834 10.808,835 2.828,836 6.538,837 7.92,839 12.954,840 6.526,841 10.184,842 1.108,843 12.644,844 2.666,845 8.046,846 9.723,847 2.922,848 15.638,849 8.026,850 11.623,851 0.845,852 14.525,853 2.173,854 8.956,855 10.923,857 18.04,858 8.937,859 13.088,860 0.743,861 16.436,862 1.898,863 10.264,864 12.543,865 3.619,866 20.631,867 10.239,868 3.454,869 0.52,870 18.367,871 1.556,872 11.363,873 13.912,875 23.133,876 11.337,877 2.882,878 12.997,879 20.314,880 0.984,881 12.606,882 15.463,883 4.33,884 25.7,885 12.577,886 2.514,887 9.419,888 22.273,889 4.591,890 13.782,891 16.909,893 28.239,894 13.75,895 1.974,896 7.846,897 24.239,898 3.844,899 15.009,900 18.435,901 5.047,902 30.802,903 14.973,904 1.897,905 5.244,906 26.213,907 3.349,908 16.216,909 19.916,911 33.356,912 16.177,913 1.785,914 3.943,915 28.192,916 2.484,917 17.442,918 21.435,919 5.769,920 35.919,921 17.4,922 1.708,923 3.776,924 30.175,925 2.208,926 18.663,927 22.935,929 38.478,930 18.618,931 22463,932 32935,933 23.515,934 50.466,935 50.261,936 51.842,937 51.757,938 50.49,939 50.502,940 61.182,941 2.873,942 131.807,943 50.211,944 5.768,945 5.587,946 7.416,947 5.463,948 5.454,949 7.591,950 2.873,951 20.891,952 5.443,953 18.844,954 1.396,955 1.44,956 1.438,957 1.403,958 1.403,959 1.7,960 0.08,961 3.661,962 1.395,963 4.118,964 4.131,965 4.487,966 4.163,967 7.475,968 4.08,969 3.852,970 3.915,971 3.941,972 3.763,973 7.429,974 3.716,975 3.767,976 3.828,977 3.684,978 3.733,979 6.352,980 3.626,981 3.699,982 3.752,983 3.588,984 3.636,985 6.345,986 3.565,987 3.637,988 3.666,989 3.494,990 3.541,991 4.848,992 3.51,993 3.549,994 3.605,995 3.463,996 3.414,997 4.393,998 3.395,999 3.455,1000 3.503,1001 3.352,1002 3.37,1003 4.26,1004 3.302,1005 3.363,1006 3.409,1007 3.189,1008 3.241,1009 4.246,1010 3.2,1011 0.133,1012 0.1,1013 0.206,1014 0.124,1015 0.096,1016 4.785,1017 0.128,1018 3.587,1019 0.04,1020 7.423,1021 0.361,1022 4.451,1023 0.096,1024 3.454,1025 4.591,1026 1.437,1027 12.997,1028 3.443,1029 2.092,1030 2.08,1031 2.136,1032 2.124,1033 1.456,1034 2.146,1035 1.843,1036 1.783,1037 2.088,1038 1.994,1039 1.401,1040 2.03,1041 1.79,1042 1.729,1043 2.043,1044 1.947,1045 1.334,1046 1.984,1047 1.705,1048 1.645,1049 1.969,1050 1.872,1051 1.309,1052 1.91,1053 1.604,1054 1.574,1055 1.87,1056 1.772,1057 1.193,1058 1.813,1059 1.558,1060 1.505,1061 1.751,1062 1.679,1063 1.054,1064 1.714,1065 1.444,1066 1.383,1067 1.656,1068 1.638,1069 0.902,1070 1.664,1071 1.33,1072 1.295,1073 1.615,1074 1.51,1075 0.781,1076 1.558,1077 4.29,1078 5.533,1080 6.969,1082 8.517,1084 10.14,1085 2.264,1088 19.766,1089 20.621,1091 5.407,1094 45.614,1095 106.13,1096 213.985,1097 268.187,1098 315.374,1099 347.741,1100 376.561,1101 131.188,1102 7.303,1103 83.83,1104 93.64,1105 12,1106 12.401,1107 3.807,1108 3.087,1109 90.579,1110 236,1111 289,1112 0.178,1113 290.507,1114 511.68,1115 700.598,1116 17906,1118 25.357,1119 0.724,1120 0.641,1121 25.607,1122 22.446,1123 16.954,1124 0.471,1125 0.424,1126 13.747,1127 15.84,1128 13.317,1129 11.23,1130 17.775,1131 15.272,1132 14.174,1133 0.315,1134 0.255,1135 15.479,1136 11.456,1137 10.567,1138 0.199,1139 0.155,1140 11.658,1141 8.206,1142 8.034,1143 0.128,1144 0.093,1145 9.055,1146 5.832,1147 6.258,1148 0.081,1149 0.054,1150 7.154,1151 4.129,1152 0.305,1153 112.119,1154 0.206,1155 34.216,1156 0.428,1157 162,1158 425.118,1159 208.905,1160 418.888,1161 554.35,1162 386,1163 179,1164 361.212,1165 233.756,1166 397.482,1167 581.96,1168 374,1169 5.409}
{0 CHEMBL446349,1 1.643,2 13.098,3 4.93,4 24.304,5 154.428,6 8.378,7 0.6,8 4.324,9 4.413,10 4.089,11 3.94,12 5.494,13 3.913,14 4.842,15 4.964,16 4.415,17 4.325,18 6.183,19 4.289,20 5.101,21 5.25,22 4.557,23 4.477,24 6.406,25 4.431,26 5.191,27 5.341,28 4.603,29 4.523,30 6.511,31 4.491,32 5.279,33 5.433,34 4.641,35 4.592,36 6.572,37 4.564,38 5.369,39 5.524,40 4.652,41 4.67,42 6.627,43 4.624,44 5.444,45 5.623,46 4.641,47 4.69,48 6.678,49 4.619,50 5.455,51 5.67,52 4.605,53 4.613,54 6.715,55 4.526,56 0.143,57 0.948,58 13.846,59 6.478,60 26.116,61 7.053,62 0.499,63 1.513,64 23.266,65 10.884,66 74.684,67 12.475,68 0.766,69 1.91,70 35.108,71 14.373,72 124.443,73 16.203,74 0.821,75 2.091,76 39.032,77 15.286,78 135.776,79 17.145,80 0.967,81 2.221,82 38.724,83 16.103,84 126.391,85 18.574,86 0.944,87 2.408,88 41.73,89 17.626,90 138.01,91 19.841,92 0.919,93 2.592,94 49.251,95 20.141,96 138.872,97 23.307,98 1.029,99 2.604,100 55.478,101 20.828,102 174.574,103 25.411,104 55,105 65,106 0.253,107 0.57,108 0.703,109 0.808,110 0.858,111 0.867,112 3.742,113 0.958,114 -3.64,115 -3.6,116 -3.43,117 45.6,118 1,119 1,122 2,126 15,127 5,128 2,130 2,132 1,133 2,134 1,135 1,136 1,139 19,141 1,142 8,144 1,145 4,147 21,149 2,150 13,152 1,153 2,154 3,155 16,158 1,159 4,160 13,163 3,165 11,167 1,169 4,170 15,172 1,173 1,175 4,177 18,180 1,181 1,182 15,184 1,185 1,186 5,188 23,190 3,191 1,192 18,194 1,196 5,198 20,200 3,202 1,203 17,206 1,208 7,211 16,213 4,215 3,216 12,217 1,218 2,219 1,220 6,221 1,222 13,224 3,225 3623,226 27.499,227 27.499,228 27.499,229 27.499,230 27.499,231 23.648,232 22.469,233 16.146,234 27.793,235 22.167,236 22.167,237 22.167,238 22.167,239 22.167,240 16.108,241 23.812,242 7.573,243 22.657,244 4.445,245 2.382,246 1.52,247 0.835,248 0.511,249 0.452,250 4.441,253 1,254 1157,255 5,256 75.159,257 445.334,258 142.262,259 168.677,260 1.67,261 64.755,263 0.75,264 0.5,265 0.67,266 0.5,268 0.67,269 1,270 0.58,271 89.5,272 537,273 4.932,274 4.689,275 7.345,276 4.481,277 3.503,278 5,279 2.014,280 13.306,281 3.431,282 4.852,283 3.859,284 7.306,285 4.307,286 3.387,287 4.701,288 0.98,289 12.495,290 3.087,291 4.309,292 3.583,293 6.507,294 3.895,295 2.884,296 4.049,297 0.878,298 10.057,299 2.914,300 4.002,301 3.461,302 6.11,303 3.635,304 2.658,305 3.502,306 0.522,307 8.793,308 2.599,309 3.848,310 2.944,311 5.871,312 3.441,313 2.451,314 3.297,316 7.81,317 2.436,318 3.789,319 2.87,320 5.367,321 3.38,322 2.395,323 3.248,324 6.882,325 2.323,326 3.629,327 2.65,328 5.338,329 3.231,330 2.232,331 3.076,332 6.298,333 2.209,334 3.465,335 2.595,336 5.188,337 2.958,338 1.957,339 2.703,340 6.141,341 1.957,342 3.354,343 2.062,344 4.913,345 2.921,346 1.927,347 2.68,348 5.066,349 1.91,350 3.071,351 2.02,352 4.661,353 2.643,354 1.66,355 2.274,356 4.806,357 1.624,358 2.907,359 1.835,360 4.127,361 2.443,362 1.443,363 2.086,364 3.232,365 1.442,366 2.814,367 1.576,368 3.757,369 2.361,370 1.37,371 1.901,372 3.095,373 1.35,374 2.694,375 1.469,376 3.66,377 2.182,378 1.194,379 1.761,380 2.89,381 1.176,382 2.56,383 1.354,384 3.623,385 2.132,386 1.148,387 1.578,388 2.739,389 1.126,390 2.5,391 1.288,392 3.555,393 2,394 1,395 1.5,396 2.136,397 1,398 19.533,399 0.476,400 1.136,401 0.028,402 57.5,403 1.402,404 32,405 0.78,406 25.5,407 0.622,408 36.765,409 0.897,410 42.867,411 0.63,412 56.097,413 1.368,414 11.487,415 0.28,416 8.221,417 0.201,418 0.131,419 0.043,420 0.328,422 0.594,423 1.132,424 0.768,425 1.084,426 0.626,427 0.864,428 0.64,429 1.043,430 0.815,431 0.966,432 0.533,433 0.916,434 0.87,435 1.036,436 0.937,437 0.999,438 0.826,439 0.931,440 0.955,441 1.107,442 1.006,443 1.083,444 0.842,445 0.976,446 1.006,447 1.004,448 0.838,449 0.923,450 0.964,451 0.952,452 1.213,453 1.025,454 0.967,455 0.961,456 1.06,457 1.063,458 1.127,459 1.067,460 1.004,461 1.041,462 1.026,463 1.104,464 0.989,465 1.022,466 0.867,467 0.954,468 0.982,469 0.974,470 8,471 0.445,472 4.667,473 3.799,474 3.483,475 2.279,476 1.421,477 1.18,478 0.709,479 0.646,480 24662,481 75043,482 2.055,483 39.7,484 3,485 19,487 3,488 2,490 1.814,491 1.9,492 3.568,493 0.74,497 111.721,498 1.643,499 3.705,500 4.567,501 5.253,502 5.576,503 5.635,504 3.015,505 5.016,506 5.325,507 3.785,508 3103.47,509 9.461,510 51853.2,513 413.947,514 1.597,515 5.272,516 0.178,517 0.009,518 0.072,519 0.053,520 0.045,521 0.028,522 0.018,523 0.015,524 0.01,525 0.011,526 0.438,527 0.33,528 0.75,529 0.909,530 228.208,531 0.016,532 -0.02,533 0.152,534 -0.02,535 -0.11,536 0.049,537 0.168,538 0.012,539 0.051,540 0.014,541 0.15,542 0.005,543 0.081,544 -0.01,545 0.037,546 0.009,547 0.057,548 0.02,549 0.052,550 -0.07,551 -0.044,552 -0.099,553 0.079,554 -0.041,555 0.049,556 -0.011,557 -0.021,558 -0.029,559 -0.011,560 -0.028,561 -0.139,562 -0.042,563 -0.154,564 -0.067,565 -0.107,566 -0.139,567 -0.116,568 -0.102,569 -0.101,570 -0.101,571 -0.092,572 -0.134,573 0.002,574 -0.074,575 0.128,576 0.015,577 0.013,578 0.047,579 5.031,580 6.273,581 0.61,582 47.417,583 1.014,584 1.113,585 2.405,586 5.784,587 0.699,588 3.829,589 4.19,590 4.5,591 4.836,592 5.147,593 5.323,594 5.545,595 5.73,596 5.858,597 5.905,598 7.586,599 0.674,600 569.68,601 3.829,602 5.398,603 6.271,604 7.185,605 8.089,606 9.017,607 9.938,608 10.874,609 11.804,610 12.746,611 4.4,613 2,614 1,615 4,616 15,617 5,618 1,619 27,620 1,622 1,623 68,624 32,625 4,626 45,627 72,628 31,629 24,630 7,631 15,632 2,633 5,634 8,635 1,637 1,638 27,639 4,641 5,642 1,643 5,645 3,650 27,651 8,652 3,653 10,654 1,655 3,656 0.6,657 6,661 1,662 1,663 4,664 1,665 1,667 1,673 3,674 1,675 1,677 41,678 1,679 1,681 3,682 1,683 1,687 8.8,690 5,692 1,693 21.583,694 12.45,695 8.986,696 3.999,699 4.9,700 1.565,701 1.016,702 8.045,703 13.573,704 4.167,705 4.838,706 5.466,707 6.143,708 6.782,709 7.233,710 7.786,711 8.295,712 8.718,713 9.036,714 0.889,715 72,716 15.664,717 7.273,718 8.047,719 28.367,720 23.694,721 2.547,722 104.417,725 282.506,726 206.337,727 51.201,728 130.748,730 5.807,731 200.529,732 413.254,733 51.201,734 8.825,735 58.535,736 147.951,737 134.291,738 33.783,739 4.901,740 282.506,742 282.506,743 251.731,744 130.748,745 5.807,746 282.506,747 130.748,749 69.259,750 182.472,751 5.807,752 282.506,753 181.949,754 206.337,756 5.807,757 282.506,758 49.56,759 152.868,760 16.405,761 163.645,762 282.506,763 181.949,764 206.337,765 0.584,766 0.347,767 0.196,768 0.117,769 31,770 15,771 0.139,772 10,773 2,774 1.16,775 4.69,776 443.142,777 0.16,778 25,779 209.66,780 1,781 28.25,782 11.676,783 5.657,784 2.541,785 180.05,786 26.286,787 1.741,788 1.968,789 49.302,790 670.792,791 63.5,792 -4.114,793 63.482,795 -2.906,797 68.949,798 75.654,799 0.27,800 0.609,801 0.75,802 0.863,803 0.916,804 0.926,805 5.415,806 1.957,807 6.293,808 6.298,809 4.875,810 5.527,811 2.472,812 7.194,813 4.83,814 6.672,815 1.927,816 7.909,817 6.141,818 4.635,819 5.602,820 1.593,821 8.408,822 4.543,823 8.031,824 1.66,825 9.64,826 5.066,827 6.572,828 7.898,829 3.309,830 11.543,831 6.46,832 9.435,833 1.443,834 11.441,835 4.806,836 7.171,837 8.822,838 3.158,839 13.603,840 6.997,841 10.877,842 1.37,843 13.288,844 3.232,845 8.624,846 10.642,847 4.472,848 16.325,849 8.426,850 12.347,851 1.194,852 15.167,853 3.095,854 9.587,855 11.939,856 4.687,857 18.702,858 9.329,859 13.841,860 1.148,861 17.069,862 2.89,863 10.877,864 13.597,865 5.762,866 21.306,867 10.589,868 3.503,869 1,870 18.988,871 2.739,872 11.997,873 15.058,874 6.17,875 23.8,876 11.656,877 3.387,878 13.306,879 20.92,880 2.136,881 13.238,882 16.662,883 7.102,884 26.372,885 12.863,886 2.884,887 12.495,888 22.863,889 5,890 14.423,891 18.195,892 7.621,893 28.91,894 14.004,895 2.658,896 10.057,897 24.814,898 4.701,899 15.653,900 19.783,901 8.466,902 31.476,903 15.2,904 2.451,905 8.793,906 26.772,907 4.049,908 16.866,909 21.347,910 9.053,911 34.033,912 16.375,913 2.395,914 7.81,915 28.736,916 3.502,917 18.097,918 22.933,919 9.844,920 36.599,921 17.573,922 2.232,923 6.882,924 30.704,925 3.297,926 19.323,927 24.511,928 10.473,929 39.164,930 18.766,931 23547,932 41337,933 29.531,934 47.529,935 68.649,936 71.801,937 70.688,938 68.107,939 68.043,940 94.345,941 8.787,942 203.966,943 66.719,944 5.854,945 6.689,946 7.147,947 5.571,948 5.503,949 8,950 3.615,951 21.013,952 5.431,953 22.746,954 1.526,955 1.596,956 1.571,957 1.513,958 1.512,959 2.097,960 0.195,961 4.533,962 1.483,963 4.242,964 4.261,965 4.736,966 4.174,967 7.718,968 4.181,969 4.064,970 4.039,971 4.216,972 4.052,973 7.503,974 3.962,975 3.901,976 3.932,977 3.83,978 3.844,979 7.427,980 3.836,981 3.79,982 3.817,983 3.738,984 3.709,985 7.355,986 3.712,987 3.677,988 3.692,989 3.679,990 3.562,991 6.999,992 3.516,993 3.518,994 3.551,995 3.47,996 3.322,997 4.998,998 3.318,999 3.477,1000 3.489,1001 3.458,1002 3.259,1003 4.871,1004 3.307,1005 3.357,1006 3.407,1007 3.236,1008 3.183,1009 4.748,1010 3.175,1011 0.11,1012 0.104,1013 0.163,1014 0.1,1015 0.078,1016 4.932,1017 0.111,1018 4.689,1019 0.045,1020 7.345,1021 0.296,1022 4.481,1023 0.076,1024 3.503,1025 5,1026 2.014,1027 13.306,1028 3.431,1029 2.095,1030 2.081,1031 2.155,1032 2.159,1033 1.35,1034 2.158,1035 1.954,1036 1.962,1037 2.041,1038 2.024,1039 1.199,1040 2.063,1041 1.916,1042 1.886,1043 1.996,1044 2.006,1045 1.156,1046 2.019,1047 1.735,1048 1.711,1049 1.894,1050 1.877,1051 1.077,1052 1.877,1053 1.566,1054 1.552,1055 1.697,1056 1.775,1057 0.816,1058 1.769,1059 1.516,1060 1.492,1061 1.591,1062 1.709,1063 0.753,1064 1.692,1065 1.357,1066 1.334,1067 1.568,1068 1.594,1069 0.712,1070 1.593,1071 1.292,1072 1.255,1073 1.44,1074 1.508,1075 0.532,1076 1.527,1077 4.511,1078 5.861,1079 2.398,1080 7.413,1081 4.949,1082 9.061,1083 7.261,1084 10.767,1085 1.873,1087 5.485,1089 0.143,1090 2.006,1091 5.91,1094 45.862,1095 111.721,1096 251.947,1097 310.589,1098 357.193,1099 379.193,1100 383.193,1101 113.318,1102 8.674,1103 137.56,1104 145.94,1105 29,1106 13.243,1107 5.044,1108 4.285,1109 65.829,1110 179,1111 226,1112 0.173,1113 282.746,1114 493.21,1115 681.661,1116 75701,1118 29.148,1119 0.711,1120 0.56,1121 29.398,1122 22.98,1123 19.708,1124 0.438,1125 0.319,1126 12.869,1127 18.322,1128 12.452,1129 10.317,1130 20.529,1131 14.376,1132 18.225,1133 0.28,1134 0.17,1135 19.526,1136 11.073,1137 15.115,1138 0.17,1139 0.091,1140 16.249,1141 8.139,1142 12.971,1143 0.104,1144 0.048,1145 14.047,1146 6.002,1147 11.08,1148 0.065,1149 0.025,1150 11.791,1151 4.26,1152 0.266,1153 131.304,1154 0.184,1155 35.883,1156 0.494,1157 220,1158 702.564,1159 276.758,1160 696.336,1161 937.13,1162 642,1163 264,1164 652.833,1165 330.079,1166 697.338,1167 1025.97,1168 655,1169 7.456}
{0 CHEMBL478820,1 1.483,2 10.778,3 5.778,4 33.386,5 136.939,6 7.572,7 0.564,8 4.243,9 4.346,10 3.808,11 3.815,12 5.425,13 3.795,14 4.751,15 4.897,16 4.177,17 4.205,18 5.965,19 4.166,20 5.022,21 5.191,22 4.294,23 4.382,24 6.25,25 4.318,26 5.131,27 5.33,28 4.366,29 4.478,30 6.141,31 4.408,32 5.205,33 5.371,34 4.525,35 4.584,36 6.351,37 4.531,38 5.407,39 5.588,40 4.569,41 4.68,42 6.591,43 4.612,44 5.473,45 5.68,46 4.522,47 4.668,48 6.644,49 4.59,50 5.445,51 5.663,52 4.38,53 4.59,54 6.648,55 4.488,56 0.062,57 0.844,58 12.326,59 6.048,60 17.099,61 7.387,62 0.278,63 1.355,64 22.588,65 10.168,66 59.144,67 12.932,68 0.705,69 1.717,70 31.797,71 13.138,72 109.953,73 16.888,74 0.335,75 1.941,76 35.92,77 15.075,78 54.143,79 19.99,80 0.403,81 2.135,82 36.744,83 15.778,84 61.392,85 20.357,86 0.779,87 2.526,88 47.577,89 18.487,90 110.916,91 23.646,92 0.706,93 2.604,94 53.558,95 20.117,96 142.924,97 25.831,98 0.928,99 2.497,100 53.323,101 19.575,102 184.012,103 25.5,104 69,105 55,106 0.234,107 0.59,108 0.749,109 0.827,110 0.857,111 0.864,112 3.617,113 0.903,114 -3.94,115 -3.9,116 -3.7,117 45.3,118 2,119 2,120 1,122 1,126 11,127 5,128 1,129 1,130 2,132 1,133 2,134 1,135 1,136 1,137 1,138 1,139 20,142 6,143 1,144 1,145 2,147 24,149 3,150 7,152 1,153 2,154 1,155 24,158 1,159 1,160 6,163 1,165 24,166 1,167 1,169 2,170 12,171 1,172 1,173 1,175 2,177 24,178 2,180 1,181 2,182 14,184 1,185 2,186 5,188 23,189 1,190 3,192 13,193 1,196 5,198 25,199 2,200 4,202 1,203 11,204 1,206 1,208 4,209 1,211 20,212 2,213 2,214 1,215 1,216 11,217 1,218 2,219 1,220 5,221 1,222 15,223 4,224 3,225 2480,226 23.949,227 23.949,228 23.949,229 23.949,230 23.949,231 20.896,232 18.566,233 14.261,234 24.116,235 19.271,236 19.271,237 19.271,238 19.271,239 19.271,240 14.567,241 19.427,242 6.774,243 19.548,244 4.517,245 2.261,246 1.249,247 0.76,248 0.567,249 0.524,250 4.307,253 1,254 816,255 4.528,256 76.477,257 304.292,258 147.683,260 1.426,261 44.687,263 1,264 0.67,265 0.83,266 0.8,267 0.5,268 1,269 1,270 0.83,271 78,272 388,273 4.852,274 3.858,275 7.253,276 4.422,277 3.446,278 4.819,279 2.423,280 12.929,281 3.372,282 4.371,283 3.63,284 6.511,285 4.014,286 3.014,287 4.029,288 0.98,289 10.228,290 3.014,291 4.041,292 3.439,293 6.174,294 3.677,295 2.667,296 3.462,297 0.922,298 8.758,299 2.684,300 3.89,301 3.103,302 6.081,303 3.543,304 2.572,305 3.334,306 0.68,307 8.666,308 2.489,309 3.653,310 2.854,311 5.379,312 3.254,313 2.257,314 3.157,316 6.449,317 2.252,318 3.536,319 2.801,320 5.228,321 3.201,322 2.219,323 2.728,324 6.227,325 2.153,326 3.408,327 2.412,328 4.905,329 3.075,330 2.087,331 2.665,332 5.259,333 2.051,334 3.127,335 2.266,336 4.617,337 2.844,338 1.849,339 2.24,340 4.858,341 1.83,342 2.991,343 1.892,344 4.548,345 2.585,346 1.611,347 2.192,348 4.517,349 1.565,350 2.947,351 1.865,352 4.133,353 2.501,354 1.508,355 2.102,356 3.642,357 1.492,358 2.81,359 1.569,360 3.807,361 2.399,362 1.406,363 1.904,364 3.094,365 1.392,366 2.715,367 1.484,368 3.666,369 2.237,370 1.245,371 1.739,372 2.859,373 1.227,374 2.5,375 1.387,376 3.569,377 2,378 1,379 1.5,380 2.396,381 1,382 2.5,383 1.161,384 3.436,385 2,386 1,387 1.5,388 2.136,389 1,390 2.338,391 1,392 3.247,393 1.83,394 0.786,395 1.076,396 1.91,397 0.806,398 16.967,399 0.471,400 0.984,401 0.027,402 47,403 1.306,404 25,405 0.694,406 22,407 0.611,408 34.624,409 0.962,410 38.233,411 0.597,412 43.291,413 1.203,414 9.434,415 0.262,416 7.839,417 0.218,418 0.161,420 0.377,422 0.742,423 1.09,424 0.785,425 0.989,426 0.678,427 0.905,428 0.63,429 1.074,430 0.783,431 1,432 0.455,433 0.934,434 0.706,435 0.951,436 0.929,437 0.946,438 0.692,439 0.974,440 0.641,441 0.986,442 0.787,443 0.943,444 0.547,445 0.9,446 0.689,447 1.161,448 0.888,449 1.105,450 0.688,451 1.043,452 1.003,453 1.092,454 1.104,455 1.092,456 0.979,457 1.106,458 1.166,459 1.03,460 1.064,461 1.024,462 1.207,463 1.023,464 1.094,465 0.994,466 1.13,467 1.035,468 1.05,469 1.077,470 6.5,471 0.219,472 3.778,473 2.986,474 2.447,475 2.057,476 1.411,477 1.103,478 0.631,479 0.453,480 15748,481 46003,482 2.023,483 43.8,484 9,485 13,486 1,487 3,488 2,490 1.787,491 1.862,492 3.344,493 0.745,497 94.903,498 1.483,499 3.739,500 4.751,501 5.24,502 5.433,503 5.476,504 2.797,505 4.781,506 5.139,507 3.513,508 2213.41,509 9.107,510 33588.1,513 384,514 1.51,515 5.083,516 0.167,517 0.006,518 0.069,519 0.05,520 0.037,521 0.027,522 0.019,523 0.015,524 0.011,525 0.009,526 0.409,527 0.33,528 0.88,529 1.344,530 190.814,531 -0.062,532 0.027,533 0.018,534 0.046,535 -0.086,536 0.049,537 0.117,538 -0.014,539 0.085,540 0.022,541 0.151,542 0.041,543 0.188,544 0.078,545 -0.009,546 0.059,547 0.119,548 -0.001,549 0.036,550 0.031,551 0.13,552 0.068,553 0.023,554 0.107,555 0.075,556 -0.103,557 0.005,558 -0.102,559 0.022,560 -0.07,561 -0.02,562 -0.049,563 -0.157,564 -0.116,565 -0.047,566 -0.153,567 -0.13,568 -0.041,569 -0.076,570 -0.046,571 -0.111,572 -0.048,573 -0.049,574 -0.019,575 -0.125,576 -0.062,577 -0.018,578 -0.096,579 2.814,580 6.146,581 0.583,582 35.438,583 1.005,584 1.116,585 2.714,586 7.363,587 0.675,588 3.689,589 4.025,590 4.317,591 4.663,592 4.984,593 5.147,594 5.338,595 5.468,596 5.557,597 5.609,598 6.541,599 0.648,600 484.59,601 3.689,602 5.242,603 6.103,604 7.006,605 7.905,606 8.824,607 9.741,608 10.669,609 11.596,610 12.528,611 3.1,613 1,614 1,615 1,616 12,617 7,619 22,620 1,622 1,623 64,624 25,625 2,626 39,627 67,628 29,629 20,630 3,631 9,632 2,633 4,634 5,635 2,637 2,638 23,639 6,640 1,641 3,643 3,645 3,650 28,651 6,652 3,653 7,655 2,656 0.75,657 5,660 1,661 1,662 1,663 3,664 1,667 1,668 1,671 1,673 3,675 2,677 36,678 1,680 1,681 3,683 1,684 1,687 7.8,689 1,690 3,692 1,693 19.333,694 11.983,695 7.944,696 3.8,699 4.53,700 1.553,701 0.966,702 7.682,703 12.724,704 3.989,705 4.608,706 5.229,707 5.89,708 6.504,709 6.884,710 7.36,711 7.794,712 8.115,713 8.455,714 1,715 60,716 13.406,717 5.814,718 7.963,719 25.019,720 20.528,721 2.463,722 88.667,725 294.278,726 177.418,727 34.184,728 129.118,731 177.418,732 423.396,733 34.184,734 17.65,735 42.559,736 113.286,737 128.866,738 33.458,739 16.672,740 282.506,742 294.278,743 211.602,744 129.118,746 294.278,747 129.118,749 61.496,750 150.106,752 294.278,753 163.302,754 177.418,757 294.278,758 46.482,759 132.223,761 162.015,762 294.278,763 163.302,764 177.418,765 0.578,766 0.327,767 0.189,768 0.122,769 25,770 13,771 0.149,772 10,773 1,774 1.095,775 4.262,776 366.265,777 0.095,778 21,779 180.117,781 25.368,782 10.902,783 5.432,784 0.352,785 162.015,786 23.198,787 5.086,789 75.581,790 634.997,791 53,793 36.433,795 -3.042,797 64.327,798 71.441,799 0.247,800 0.623,801 0.792,802 0.873,803 0.906,804 0.913,805 5.228,806 1.849,807 6.103,808 5.259,809 4.71,810 5.296,811 2.712,812 6.965,813 4.682,814 6.454,815 1.611,816 7.69,817 4.858,818 4.369,819 5.182,820 2.243,821 8.007,822 4.336,823 7.775,824 1.508,825 9.386,826 4.517,827 6.333,828 7.545,829 3.884,830 11.183,831 6.278,832 9.137,833 1.406,834 11.148,835 3.642,836 6.825,837 8.298,838 4.238,839 13.117,840 6.761,841 10.536,842 1.245,843 12.955,844 3.094,845 8.292,846 10.159,847 5.446,848 15.842,849 8.208,850 11.964,851 1,852 14.793,853 2.859,854 9.174,855 11.336,856 6.111,857 18.143,858 9.075,859 13.416,860 1,861 16.654,862 2.396,863 10.46,864 13.002,865 7.14,866 20.732,867 10.341,868 3.446,869 0.786,870 18.534,871 2.136,872 11.525,873 14.387,874 7.928,875 23.182,876 11.386,877 3.014,878 12.929,879 20.428,880 1.91,881 12.75,882 15.978,883 8.879,884 25.734,885 12.591,886 2.667,887 10.228,888 22.335,889 4.819,890 13.898,891 17.46,892 9.719,893 28.245,894 13.717,895 2.572,896 8.758,897 24.251,898 4.029,899 15.109,900 19.028,901 10.635,902 30.793,903 14.906,904 2.257,905 8.666,906 26.175,907 3.462,908 16.297,909 20.554,910 11.499,911 33.328,912 16.069,913 2.219,914 6.449,915 28.107,916 3.334,917 17.509,918 22.117,919 12.399,920 35.878,921 17.258,922 2.087,923 6.227,924 30.045,925 3.157,926 18.715,927 23.665,928 13.274,929 38.426,930 18.44,931 15500,932 26687,933 25.372,934 43.182,935 59.712,936 61.852,937 61.24,938 58.802,939 58.773,940 78.613,941 10.01,942 171.325,943 57.982,944 5.678,945 5.858,946 7.055,947 5.474,948 5.446,949 7.819,950 4.104,951 20.573,952 5.372,953 21.164,954 1.531,955 1.586,956 1.57,957 1.508,958 1.507,959 2.016,960 0.257,961 4.393,962 1.487,963 4.19,964 4.219,965 4.165,966 4.091,967 7.503,968 4.104,969 3.984,970 4.008,971 3.932,972 3.936,973 7.474,974 3.933,975 3.747,976 3.781,977 3.665,978 3.687,979 7.355,980 3.677,981 3.691,982 3.749,983 3.589,984 3.573,985 6.351,986 3.562,987 3.584,988 3.602,989 3.501,990 3.383,991 4.962,992 3.404,993 3.54,994 3.55,995 3.465,996 3.27,997 4.869,998 3.313,999 3.351,1000 3.395,1001 3.243,1002 3.192,1003 4.821,1004 3.208,1005 3.083,1006 3.144,1007 2.97,1008 2.93,1009 4.61,1010 2.931,1011 0.124,1012 0.099,1013 0.186,1014 0.113,1015 0.088,1016 4.852,1017 0.124,1018 3.858,1019 0.062,1020 7.253,1021 0.332,1022 4.422,1023 0.086,1024 3.446,1025 4.819,1026 2.423,1027 12.929,1028 3.372,1029 2.012,1030 1.99,1031 2.109,1032 2.097,1033 1.321,1034 2.095,1035 1.912,1036 1.887,1037 2.002,1038 2.038,1039 1.242,1040 2.031,1041 1.818,1042 1.785,1043 1.989,1044 1.932,1045 1.121,1046 1.955,1047 1.743,1048 1.705,1049 1.905,1050 1.845,1051 1,1052 1.868,1053 1.535,1054 1.497,1055 1.689,1056 1.743,1057 0.854,1058 1.716,1059 1.393,1060 1.378,1061 1.578,1062 1.699,1063 0.698,1064 1.653,1065 1.311,1066 1.276,1067 1.494,1068 1.529,1069 0.589,1070 1.53,1071 1.072,1072 1.016,1073 1.417,1074 1.289,1075 0.469,1076 1.312,1077 4.369,1078 5.7,1079 2.398,1080 7.226,1081 4.949,1082 8.851,1083 7.248,1084 10.535,1085 4.064,1087 5.46,1088 9.153,1089 0.417,1091 5.543,1092 0.174,1094 41.465,1095 94.903,1096 239.311,1097 304.072,1098 335.371,1099 347.735,1100 350.49,1101 90.338,1102 8.195,1103 111.1,1104 111.1,1105 23,1106 13.03,1107 4.7,1108 3.907,1109 61.309,1110 136,1111 154,1112 0.216,1113 254.888,1114 448.85,1115 613.688,1116 41003,1118 25.819,1119 0.717,1120 0.562,1121 25.819,1122 20.232,1123 17.274,1124 0.443,1125 0.301,1126 11.62,1127 16.739,1128 11.275,1129 9.408,1130 17.274,1131 11.743,1132 15.883,1133 0.289,1134 0.165,1135 15.883,1136 9.065,1137 12.505,1138 0.169,1139 0.081,1140 12.505,1141 6.009,1142 10.694,1143 0.102,1144 0.044,1145 10.694,1146 4.588,1147 9.571,1148 0.066,1149 0.024,1150 9.571,1151 3.471,1152 0.326,1153 107.686,1154 0.199,1155 31.929,1156 0.64,1157 188,1158 570.049,1159 204.064,1160 549.534,1161 738.68,1162 510,1163 223,1164 532.112,1165 238.569,1166 540.004,1167 792.97,1168 508,1169 5.796}
{0 CHEMBL478821,1 1.436,2 9.645,3 5.401,4 29.166,5 121.554,6 7.5,7 0.647,8 4.092,9 4.2,10 3.665,11 3.693,12 5.246,13 3.666,14 4.594,15 4.744,16 4.021,17 4.079,18 5.718,19 4.035,20 4.82,21 4.987,22 4.174,23 4.25,24 6.008,25 4.194,26 4.934,27 5.093,28 4.245,29 4.352,30 6.004,31 4.289,32 5.1,33 5.284,34 4.321,35 4.44,36 6.215,37 4.366,38 5.223,39 5.425,40 4.272,41 4.464,42 6.366,43 4.37,44 5.189,45 5.413,46 4.087,47 4.379,48 6.262,49 4.261,50 5.087,51 5.348,52 3.936,53 4.244,54 6.074,55 4.107,56 0.024,57 0.723,58 10.593,59 5.072,60 9.924,61 6.39,62 0.155,63 1.159,64 19.383,65 8.558,66 28.732,67 10.982,68 0.355,69 1.437,70 25.277,71 10.754,72 65.471,73 14.022,74 0.178,75 1.62,76 27.622,77 12.082,78 27.819,79 15.564,80 0.379,81 1.909,82 34.246,83 14.07,84 50.645,85 18.437,86 0.553,87 2.081,88 40.931,89 15.922,90 94.019,91 20.579,92 0.497,93 2.008,94 40.903,95 15.36,96 96.453,97 20.028,98 0.331,99 1.8,100 38.085,101 14.746,102 70.28,103 20.243,104 36,105 48,106 0.233,107 0.57,108 0.733,109 0.826,110 0.862,111 0.871,112 3.473,113 0.902,114 -4.14,115 -4.08,116 -3.86,117 47.3,118 1,119 2,121 1,126 11,127 5,128 1,129 1,130 2,132 1,133 1,134 1,135 1,136 1,139 18,142 6,144 1,145 1,147 21,149 2,150 7,152 1,153 1,154 1,155 22,158 1,159 1,160 6,163 1,165 22,167 1,169 2,170 9,172 1,173 1,175 1,177 22,180 1,181 1,182 10,184 1,185 1,186 3,188 21,190 3,192 8,196 2,198 17,200 2,203 9,208 2,211 14,213 2,216 9,220 3,222 9,224 3,225 1578,226 21.259,227 21.259,228 21.259,229 21.259,230 21.259,231 18.413,232 16.97,233 12.485,234 21.48,235 16.643,236 16.643,237 16.643,238 16.643,239 16.643,240 12.204,241 18.187,242 5.679,243 16.902,244 4.346,245 2.274,246 1.271,247 0.702,248 0.478,249 0.427,250 4.167,252 1,253 1,254 637,255 3.674,256 62.692,257 254.996,258 120.532,260 1.292,261 29.036,263 1,264 1,265 1,266 0.6,267 0.5,268 1,269 1,270 0.87,271 66,272 299,273 4.85,274 3.856,275 7.249,276 4.417,277 3.441,278 4.818,279 0.98,280 12.906,281 3.367,282 4.371,283 3.438,284 6.511,285 4.014,286 3.014,287 4.029,288 0.86,289 10.228,290 3.014,291 4.039,292 3.104,293 6.173,294 3.675,295 2.662,296 3.459,297 0.68,298 8.747,299 2.681,300 3.868,301 2.844,302 6.061,303 3.491,304 2.523,305 3.326,307 8.55,308 2.437,309 3.647,310 2.791,311 5.343,312 3.208,313 2.209,314 3.154,316 6.36,317 2.205,318 3.379,319 2.349,320 5.224,321 2.934,322 1.964,323 2.677,324 6.004,325 1.899,326 3.013,327 2.141,328 4.834,329 2.61,330 1.643,331 2.2,332 4.728,333 1.581,334 2.972,335 1.858,336 4.151,337 2.522,338 1.525,339 2.168,340 3.68,341 1.517,342 2.882,343 1.575,344 3.808,345 2.45,346 1.451,347 2.039,348 3.108,349 1.449,350 2.716,351 1.493,352 3.732,353 2.24,354 1.251,355 1.742,356 2.857,357 1.231,358 2.5,359 1.364,360 3.607,361 2,362 1,363 1.5,364 2.396,365 1,366 2.5,367 1,368 3.436,369 2,370 1,371 1.5,372 2.136,373 1,374 2.362,375 1,376 3.247,377 1.913,378 0.887,379 1.146,380 2.045,381 0.899,382 1.811,383 0.973,384 3.107,385 1.526,386 0.564,387 0.673,388 1.042,389 0.527,390 1.546,391 0.792,392 2.776,393 1.261,394 0.303,395 0.368,396 0.473,397 0.291,398 14.8,399 0.477,400 0.696,401 0.022,402 42.5,403 1.371,404 23.5,405 0.758,406 19,407 0.613,408 26.251,409 0.847,410 32,411 0.582,412 35.758,413 1.153,414 8.64,415 0.279,416 6.422,417 0.207,418 0.14,420 0.365,422 0.719,423 1.077,424 0.779,425 0.966,426 0.634,427 0.888,428 0.818,429 1,430 0.802,431 0.91,432 0.552,433 0.865,434 0.714,435 0.922,436 0.824,437 0.895,438 0.63,439 0.878,440 0.859,441 1.165,442 0.974,443 1.128,444 0.798,445 1.077,446 0.837,447 1.084,448 0.985,449 1.083,450 0.851,451 1.055,452 1.193,453 1.067,454 1.134,455 1.068,456 1.231,457 1.09,458 1.334,459 0.969,460 1.204,461 0.996,462 1.367,463 1.065,464 0.841,465 0.884,466 0.921,467 0.926,468 0.893,469 0.932,470 4.5,471 0.153,472 3.556,473 2.986,474 2.287,475 1.647,476 0.935,477 0.572,478 0.4,479 0.282,480 10849,481 29011,482 2.065,483 43.6,484 5,485 14,486 1,487 2,488 2,490 1.747,491 1.918,492 3.239,493 0.129,497 78.969,498 1.436,499 3.508,500 4.51,501 5.079,502 5.304,503 5.354,504 2.605,505 4.632,506 4.927,507 3.378,508 1570.99,509 8.663,510 21337.8,513 317.975,514 1.462,515 4.877,516 0.132,517 0.007,518 0.074,519 0.054,520 0.039,521 0.027,522 0.017,523 0.012,524 0.01,525 0.009,526 0.382,527 0.33,528 1,529 1.07,530 156.522,531 -0.035,532 0.006,533 0.037,534 0.023,535 -0.073,536 0.039,537 0.023,538 0.035,539 0.084,540 0.08,541 0.068,542 0.086,543 0.178,544 0.101,545 0.09,546 0.092,547 0.21,548 0.08,550 -0.143,551 -0.076,552 -0.143,553 -0.036,554 -0.125,555 0.094,556 -0.059,557 -0.047,558 -0.11,559 0.034,560 -0.1,561 -0.037,562 -0.081,563 -0.146,564 -0.095,565 -0.052,566 -0.131,567 -0.201,568 0.014,569 -0.195,570 -0.026,571 -0.178,572 -0.094,573 -0.01,574 0.06,575 0.094,576 0.067,577 -0.01,578 0.093,579 2.635,580 5.817,581 0.677,582 26.1,583 0.998,584 1.113,585 2.908,586 8.454,587 0.686,588 3.555,589 3.892,590 4.248,591 4.585,592 4.875,593 4.99,594 5.124,595 5.236,596 5.308,597 5.347,598 5.942,599 0.654,600 412.52,601 3.555,602 5.106,603 5.989,604 6.897,605 7.809,606 8.73,607 9.653,608 10.581,609 11.509,610 12.44,611 3.6,613 1,614 1,615 1,616 12,617 7,619 22,620 1,622 1,623 55,624 24,625 2,626 34,627 58,628 26,629 20,630 3,631 9,632 2,633 4,634 5,635 1,637 2,638 22,639 4,641 2,643 2,645 2,650 24,651 4,652 2,653 5,655 2,656 0.75,657 3,660 1,661 1,662 1,663 3,664 1,667 1,673 3,675 2,677 31,678 1,681 2,683 1,687 5.5,690 2,692 1,693 16.167,694 10.533,695 7.028,696 3.333,699 4.478,700 1.567,701 1.005,702 5.921,703 12.377,704 3.871,705 4.514,706 5.196,707 5.857,708 6.457,709 6.804,710 7.248,711 7.672,712 7.976,713 8.307,714 1,715 55,716 11.489,717 4.926,718 7.796,719 21.776,720 17.874,721 2.296,722 71.167,725 258.964,726 173.974,727 34.184,728 61.29,731 173.974,732 320.254,733 34.184,734 19.708,735 37.966,736 113.286,737 60.128,738 33.458,739 16.672,740 247.193,742 258.964,743 208.157,744 61.29,746 258.964,747 61.29,749 48.078,750 160.08,752 258.964,753 95.473,754 173.974,757 258.964,758 40.979,759 134.281,761 94.187,762 258.964,763 95.473,764 173.974,765 0.574,766 0.361,767 0.212,768 0.127,769 23,770 11,771 0.121,772 7,773 1,774 1.095,775 3.94,776 300.023,777 0.095,778 21,779 147.58,781 20.891,782 8.786,783 3.753,784 0.581,785 94.187,786 23.985,787 6.016,789 32.897,790 528.411,791 47,793 24.658,795 -1.661,797 54.905,798 61.192,799 0.248,800 0.607,801 0.78,802 0.879,803 0.917,804 0.926,805 5.103,806 1.525,807 5.984,808 4.728,809 4.575,810 5.201,811 1.672,812 6.872,813 4.549,814 6.334,815 1.451,816 7.588,817 3.68,818 4.205,819 5.075,821 7.958,822 4.169,823 7.665,824 1.251,825 9.302,826 3.108,827 6.225,828 7.494,829 1.474,830 11.141,831 6.172,832 9.04,833 1,834 11.081,835 2.857,836 6.735,837 8.257,839 13.098,840 6.669,841 10.453,842 1,843 12.902,844 2.396,845 8.217,846 10.135,847 1.329,848 15.82,849 8.136,850 11.894,851 0.887,852 14.752,853 2.136,854 9.121,855 11.32,857 18.128,858 9.021,859 13.359,860 0.564,861 16.622,862 2.045,863 10.411,864 12.992,865 1.22,866 20.714,867 10.295,868 3.441,869 0.303,870 18.509,871 1.042,872 11.489,873 14.379,875 23.165,876 11.351,877 3.014,878 12.906,879 20.408,880 0.473,881 12.717,882 15.973,883 1.136,884 25.716,885 12.559,886 2.662,887 10.228,888 22.318,889 4.818,890 13.872,891 17.456,893 28.226,894 13.69,895 2.523,896 8.747,897 24.237,898 4.029,899 15.084,900 19.025,901 1.069,902 30.772,903 14.881,904 2.209,905 8.55,906 26.163,907 3.459,908 16.274,909 20.552,911 33.306,912 16.046,913 1.964,914 6.36,915 28.096,916 3.326,917 17.486,918 22.114,919 1.013,920 35.854,921 17.235,922 1.643,923 6.004,924 30.034,925 3.154,926 18.693,927 23.662,929 38.4,930 18.417,931 10559,932 17401,933 22.482,934 37.75,935 51.439,936 53.251,937 53.909,938 50.896,939 50.891,940 69.621,941 5.04,942 150.557,943 50.212,944 5.654,945 5.856,946 7.051,947 5.456,948 5.441,949 7.818,950 1.96,951 20.545,952 5.367,953 16.02,954 1.513,955 1.566,956 1.586,957 1.497,958 1.497,959 2.048,960 0.148,961 4.428,962 1.477,963 4.186,964 4.215,965 4.161,966 4.086,967 7.503,968 4.1,969 3.984,970 4.008,971 3.932,972 3.935,973 7.355,974 3.933,975 3.746,976 3.78,977 3.664,978 3.687,979 4.974,980 3.677,981 3.615,982 3.644,983 3.565,984 3.48,985 4.87,986 3.483,987 3.501,988 3.544,989 3.399,990 3.279,991 4.822,992 3.314,993 3.307,994 3.376,995 3.129,996 3.123,997 4.613,998 3.107,999 3.197,1000 3.27,1001 3.01,1002 2.958,1003 4.497,1004 2.965,1005 3.039,1006 3.104,1007 2.906,1008 2.886,1009 4.191,1010 2.881,1011 0.143,1012 0.113,1013 0.213,1014 0.13,1015 0.101,1016 4.85,1017 0.142,1018 3.856,1019 0.029,1020 7.249,1021 0.38,1022 4.417,1023 0.099,1024 3.441,1025 4.818,1026 0.98,1027 12.906,1028 3.367,1029 2.012,1030 1.989,1031 2.108,1032 2.096,1033 1.287,1034 2.095,1035 1.911,1036 1.885,1037 1.99,1038 2.037,1039 1.142,1040 2.03,1041 1.794,1042 1.766,1043 1.934,1044 1.893,1045 1.115,1046 1.905,1047 1.705,1048 1.673,1049 1.875,1050 1.821,1051 0.966,1052 1.837,1053 1.394,1054 1.361,1055 1.597,1056 1.674,1057 0.736,1058 1.644,1059 1.286,1060 1.22,1061 1.563,1062 1.543,1063 0.57,1064 1.556,1065 1.175,1066 1.099,1067 1.491,1068 1.423,1069 0.516,1070 1.458,1071 0.998,1072 0.941,1073 1.235,1074 1.242,1075 0.288,1076 1.244,1077 4.234,1078 5.565,1079 2.398,1080 7.112,1081 4.949,1082 8.76,1083 7.248,1084 10.462,1085 3.53,1087 5.398,1089 1.177,1091 5.529,1094 35.982,1095 78.969,1096 192.927,1097 248.047,1098 279.346,1099 291.71,1100 294.465,1101 60.259,1102 7.899,1103 73.8,1104 73.8,1105 23,1106 12.942,1107 4.644,1108 3.807,1109 48.885,1110 108,1111 119,1112 0.221,1113 221.046,1114 382.01,1115 531.113,1116 28808,1118 21.957,1119 0.708,1120 0.567,1121 21.957,1122 17.592,1123 15.062,1124 0.443,1125 0.301,1126 10.123,1127 14.646,1128 9.822,1129 8.192,1130 15.062,1131 10.226,1132 13.099,1133 0.273,1134 0.153,1135 13.099,1136 7.342,1137 11.642,1138 0.169,1139 0.081,1140 11.642,1141 5.619,1142 9.985,1143 0.103,1144 0.044,1145 9.985,1146 4.249,1147 8.696,1148 0.067,1149 0.024,1150 8.696,1151 3.079,1152 0.333,1153 93.469,1154 0.211,1155 28.201,1156 0.652,1157 164,1158 460.164,1159 174.971,1160 448.703,1161 618.18,1162 420,1163 199,1164 456.536,1165 210.694,1166 466.839,1167 688.58,1168 440,1169 5.886}
{0 CHEMBL479251,1 1.646,2 13.205,3 4.73,4 22.368,5 147.127,6 8.054,7 0.524,8 4.309,9 4.406,10 4.041,11 3.896,12 5.458,13 3.863,14 4.838,15 4.976,16 4.356,17 4.274,18 6.155,19 4.229,20 5.103,21 5.266,22 4.475,23 4.424,24 6.386,25 4.361,26 5.217,27 5.407,28 4.514,29 4.454,30 6.484,31 4.405,32 5.222,33 5.382,34 4.56,35 4.514,36 6.518,37 4.485,38 5.345,39 5.506,40 4.575,41 4.617,42 6.599,43 4.558,44 5.444,45 5.642,46 4.56,47 4.612,48 6.672,49 4.534,50 5.421,51 5.636,52 4.427,53 4.52,54 6.654,55 4.415,56 0.137,57 0.964,58 15.136,59 6.645,60 26.118,61 7.612,62 0.501,63 1.523,64 25.648,65 11.154,66 79.315,67 13.366,68 0.763,69 1.905,70 37.593,71 14.537,72 124.638,73 17.208,74 0.884,75 2.085,76 45.252,77 15.989,78 149.594,79 19.492,80 0.958,81 2.11,82 38.754,83 14.922,84 123.299,85 17.944,86 0.832,87 2.349,88 42.731,89 17.481,90 129.588,91 20.926,92 0.991,93 2.514,94 53.716,95 19.879,96 164.561,97 24.067,98 1.189,99 2.424,100 55.945,101 19.135,102 195.427,103 23.435,104 73,105 60,106 0.255,107 0.585,108 0.718,109 0.805,110 0.841,111 0.846,112 3.693,113 0.987,114 -3.39,115 -3.37,116 -3.22,117 42.6,118 2,119 1,120 1,122 2,126 13,127 3,128 2,130 2,132 1,133 2,134 1,135 1,136 1,139 16,141 1,142 8,144 1,145 4,147 17,149 2,150 12,152 1,153 2,154 3,155 10,158 1,159 4,160 12,163 3,165 9,167 1,169 4,170 12,172 1,173 1,175 4,177 15,180 1,181 1,182 15,184 1,185 1,186 5,188 19,190 3,191 1,192 18,194 1,196 5,198 18,200 4,202 1,203 12,206 1,208 3,211 12,213 2,215 3,216 8,217 1,218 2,219 1,220 4,221 1,222 11,224 2,225 3259,226 25.628,227 25.628,228 25.628,229 25.628,230 25.628,231 22.302,232 22.469,233 15.159,234 25.926,235 20.745,236 20.745,237 20.745,238 20.745,239 20.745,240 15.555,241 23.812,242 7.201,243 21.239,244 4.442,245 2.321,246 1.46,247 0.899,248 0.669,249 0.64,250 4.38,253 1,254 1088,255 5.196,256 91.771,257 382.22,258 175.768,260 1.8,261 63.179,263 0.75,264 0.5,265 0.67,266 0.7,267 0.5,268 0.5,269 0.5,270 0.59,271 85.5,272 515,273 4.854,274 4.689,275 7.306,276 4.422,277 3.444,278 4.819,279 2.014,280 12.926,281 3.375,282 4.85,283 3.855,284 7.252,285 4.307,286 3.387,287 4.701,288 0.98,289 12.495,290 3.087,291 4.048,292 3.581,293 6.183,294 3.701,295 2.685,296 3.494,297 0.878,298 8.818,299 2.714,300 3.971,301 3.408,302 6.097,303 3.596,304 2.632,305 3.462,306 0.522,307 8.729,308 2.546,309 3.787,310 2.896,311 5.402,312 3.411,313 2.417,314 3.251,316 6.892,317 2.392,318 3.637,319 2.838,320 5.293,321 3.282,322 2.284,323 3.077,324 6.359,325 2.262,326 3.477,327 2.624,328 5.188,329 3.113,330 2.135,331 2.729,332 6.126,333 2.073,334 3.405,335 2.307,336 4.873,337 2.954,338 1.951,339 2.669,340 5.081,341 1.952,342 3.127,343 2.02,344 4.653,345 2.853,346 1.848,347 2.239,348 4.873,349 1.849,350 2.952,351 1.866,352 4.557,353 2.552,354 1.581,355 2.102,356 4.521,357 1.531,358 2.813,359 1.836,360 3.829,361 2.399,362 1.407,363 1.906,364 3.138,365 1.392,366 2.718,367 1.512,368 3.698,369 2.243,370 1.251,371 1.766,372 2.846,373 1.234,374 2.693,375 1.387,376 3.629,377 2.177,378 1.183,379 1.736,380 2.742,381 1.171,382 2.5,383 1.354,384 3.5,385 2,386 1,387 1.5,388 2.136,389 1,390 2.5,391 1.137,392 3.254,393 2,394 1,395 1.5,396 2.136,397 1,398 18.533,399 0.475,400 1.178,401 0.03,402 52,403 1.333,404 28,405 0.718,406 24,407 0.615,408 36.71,409 0.941,410 42.067,411 0.619,412 49.923,413 1.28,414 10.265,415 0.263,416 8.315,417 0.213,418 0.165,419 0.045,420 0.318,422 0.599,423 1.212,424 0.798,425 1.153,426 0.632,427 0.929,428 0.635,429 1.085,430 0.817,431 0.997,432 0.522,433 0.942,434 0.866,435 1.1,436 0.98,437 1.074,438 0.819,439 1.017,440 0.892,441 1.033,442 0.91,443 0.997,444 0.796,445 0.881,446 1.039,447 0.976,448 0.854,449 0.892,450 1.012,451 0.93,452 1.127,453 1.136,454 0.975,455 1.063,456 1.047,457 1.154,458 1.192,459 1.032,460 0.976,461 0.991,462 1.134,463 1.043,464 1.236,465 0.983,466 1.064,467 0.97,468 1.108,469 1.055,470 8.5,471 0.35,472 4.444,473 3.549,474 2.873,475 2.216,476 1.299,477 1.083,478 0.574,479 0.551,480 21661,481 65542,482 2.001,483 42.6,484 7,485 17,487 3,488 2,490 1.8,491 1.835,492 3.604,493 0.773,497 111.92,498 1.646,499 3.766,500 4.628,501 5.188,502 5.418,503 5.448,504 3.054,505 4.67,506 5.254,507 3.814,508 2826.37,509 9.306,510 46556.7,513 413.947,514 1.642,515 5.189,516 0.202,517 0.008,518 0.074,519 0.055,520 0.042,521 0.03,522 0.018,523 0.016,524 0.01,525 0.011,526 0.465,527 0.33,528 0.75,529 1.044,530 215.484,531 0.019,532 -0.043,533 0.156,534 -0.031,535 -0.108,536 0.039,537 0.179,538 -0.002,539 0.077,540 0.014,541 0.167,542 0.017,543 0.082,544 -0.061,545 0.005,546 -0.051,547 0.061,548 -0.048,549 0.095,550 -0.022,551 0.092,552 -0.001,553 0.111,554 0.096,555 0.033,556 0.055,557 -0.032,558 0.006,559 -0.02,560 -0.006,561 -0.105,562 -0.137,563 -0.167,564 -0.155,565 -0.089,566 -0.213,567 -0.121,568 -0.075,569 -0.053,570 -0.054,571 -0.102,572 -0.073,573 -0.121,574 -0.032,575 -0.076,576 -0.023,577 -0.081,578 -0.078,579 5.006,580 6.159,581 0.538,582 45.787,583 1.012,584 1.119,585 2.155,586 4.645,587 0.681,588 3.761,589 4.111,590 4.369,591 4.682,592 4.956,593 5.081,594 5.247,595 5.333,596 5.407,597 5.455,598 7.7,599 0.653,600 547.68,601 3.761,602 5.323,603 6.176,604 7.079,605 7.966,606 8.882,607 9.785,608 10.708,609 11.622,610 12.549,611 4.4,613 2,614 1,615 2,616 13,617 5,618 1,619 22,620 1,622 1,623 68,624 27,625 3,626 42,627 71,628 29,629 20,630 5,631 13,632 2,633 4,634 5,635 2,637 1,638 23,639 6,640 1,641 5,642 1,643 5,645 3,650 29,651 8,652 3,653 10,654 1,655 3,656 0.75,657 6,661 1,662 1,663 3,664 1,667 1,673 3,674 1,675 2,677 39,678 1,679 1,681 3,682 1,683 1,684 1,687 8.8,690 5,692 1,693 21.25,694 12.617,695 8.514,696 3.929,699 3.772,700 1.462,701 0.982,702 8.66,703 11.928,704 4.078,705 4.712,706 5.271,707 5.895,708 6.453,709 6.778,710 7.218,711 7.588,712 7.871,713 8.158,714 0.889,715 64,716 14.914,717 6.849,718 8.075,719 26.976,720 22.253,721 2.575,722 100.417,725 306.049,726 191.064,727 51.201,728 130.748,730 5.807,731 185.256,732 436.796,733 51.201,734 17.65,735 58.535,736 128.999,737 134.291,738 28.637,739 4.901,740 306.049,742 306.049,743 236.457,744 130.748,745 5.807,746 306.049,747 130.748,749 78.084,750 158.373,751 5.807,752 306.049,753 181.949,754 191.064,756 5.807,757 306.049,758 44.415,759 142.741,760 16.405,761 163.645,762 306.049,763 181.949,764 191.064,765 0.585,766 0.331,767 0.185,768 0.112,769 27,770 14,771 0.155,772 11,773 1,774 1.095,775 4.568,776 395.714,777 0.095,778 21,779 194.131,780 1,781 28.247,782 11.957,783 6.455,784 0.959,785 180.05,786 22.185,787 1.816,788 1.952,789 49.302,790 679.061,791 58,792 -4.089,793 62.879,795 -2.875,797 68.832,798 76.069,799 0.27,800 0.619,801 0.76,802 0.852,803 0.89,804 0.895,805 5.325,806 1.951,807 6.201,808 6.126,809 4.796,810 5.4,811 2.472,812 7.079,813 4.747,814 6.573,815 1.848,816 7.806,817 5.081,818 4.575,819 5.466,820 1.593,821 8.283,822 4.477,823 7.922,824 1.581,825 9.527,826 4.873,827 6.475,828 7.72,829 3.309,830 11.395,831 6.351,832 9.316,833 1.407,834 11.32,835 4.521,836 7.074,837 8.631,838 3.158,839 13.454,840 6.883,841 10.749,842 1.251,843 13.16,844 3.138,845 8.512,846 10.429,847 4.472,848 16.162,849 8.292,850 12.211,851 1.183,852 15.035,853 2.846,854 9.471,855 11.712,856 4.687,857 18.534,858 9.183,859 13.698,860 1,861 16.933,862 2.742,863 10.754,864 13.353,865 5.762,866 21.125,867 10.431,868 3.444,869 1,870 18.85,871 2.136,872 11.868,873 14.798,874 6.17,875 23.608,876 11.486,877 3.387,878 12.926,879 20.781,880 2.136,881 13.103,882 16.384,883 7.102,884 26.165,885 12.682,886 2.685,887 12.495,888 22.723,889 4.819,890 14.282,891 17.896,892 7.621,893 28.688,894 13.811,895 2.632,896 8.818,897 24.673,898 4.701,899 15.505,900 19.465,901 8.466,902 31.236,903 14.995,904 2.417,905 8.729,906 26.63,907 3.494,908 16.712,909 21.006,910 9.053,911 33.774,912 16.159,913 2.284,914 6.892,915 28.593,916 3.462,917 17.934,918 22.569,919 9.844,920 36.32,921 17.345,922 2.135,923 6.359,924 30.559,925 3.251,926 19.152,927 24.122,928 10.473,929 38.863,930 18.526,931 21086,932 36985,933 27.046,934 46.29,935 64.113,936 67.193,937 65.542,938 63.463,939 63.417,940 85.752,941 8.787,942 187.041,943 62.084,944 5.775,945 6.689,946 7.108,947 5.512,948 5.444,949 7.819,950 3.615,951 20.57,952 5.375,953 23.743,954 1.527,955 1.6,956 1.561,957 1.511,958 1.51,959 2.042,960 0.209,961 4.453,962 1.478,963 4.185,964 4.209,965 4.736,966 4.1,967 7.718,968 4.106,969 4.062,970 4.038,971 4.153,972 4.045,973 7.503,974 3.96,975 3.88,976 3.909,977 3.809,978 3.827,979 7.427,980 3.818,981 3.699,982 3.748,983 3.679,984 3.58,985 7.355,986 3.566,987 3.661,988 3.685,989 3.582,990 3.557,991 6.999,992 3.51,993 3.576,994 3.594,995 3.502,996 3.378,997 4.943,998 3.401,999 3.445,1000 3.468,1001 3.419,1002 3.229,1003 4.868,1004 3.246,1005 3.338,1006 3.361,1007 3.249,1008 3.151,1009 4.741,1010 3.161,1011 0.116,1012 0.112,1013 0.174,1014 0.105,1015 0.082,1016 4.854,1017 0.115,1018 4.689,1019 0.048,1020 7.306,1021 0.308,1022 4.422,1023 0.08,1024 3.444,1025 4.819,1026 2.014,1027 12.926,1028 3.375,1029 1.961,1030 1.964,1031 2.064,1032 2.065,1033 1.297,1034 2.069,1035 1.952,1036 1.934,1037 2.003,1038 2.025,1039 1.211,1040 2.058,1041 1.899,1042 1.877,1043 1.995,1044 1.983,1045 1.156,1046 1.988,1047 1.777,1048 1.731,1049 1.975,1050 1.913,1051 1.107,1052 1.937,1053 1.541,1054 1.542,1055 1.68,1056 1.759,1057 0.843,1058 1.755,1059 1.529,1060 1.492,1061 1.608,1062 1.749,1063 0.767,1064 1.725,1065 1.323,1066 1.295,1067 1.491,1068 1.578,1069 0.588,1070 1.565,1071 1.24,1072 1.227,1073 1.417,1074 1.447,1075 0.532,1076 1.471,1077 4.443,1078 5.784,1079 2.398,1080 7.314,1081 4.949,1082 8.936,1083 7.248,1084 10.612,1085 3.996,1087 5.448,1089 0.258,1090 1.984,1091 5.763,1092 0.14,1094 44.388,1095 111.92,1096 256.121,1097 314.68,1098 352.786,1099 368.438,1100 370.438,1101 122.399,1102 8.156,1103 137.56,1104 145.94,1105 23,1106 13.056,1107 4.807,1108 4.087,1109 69.952,1110 173,1111 210,1112 0.19,1113 276.81,1114 487.15,1115 667.176,1116 40312,1118 28.156,1119 0.722,1120 0.574,1121 28.406,1122 22.403,1123 18.58,1124 0.442,1125 0.329,1126 12.314,1127 17.193,1128 11.838,1129 9.885,1130 19.401,1131 13.821,1132 17.52,1133 0.292,1134 0.186,1135 18.82,1136 11.148,1137 13.537,1138 0.174,1139 0.095,1140 14.672,1141 7.445,1142 11.443,1143 0.107,1144 0.051,1145 12.519,1146 5.427,1147 9.582,1148 0.068,1149 0.027,1150 10.293,1151 3.848,1152 0.295,1153 124.54,1154 0.192,1155 34.732,1156 0.534,1157 204,1158 662.564,1159 260.758,1160 655.249,1161 872.21,1162 602,1163 240,1164 597.833,1165 305.913,1166 641.327,1167 937.74,1168 600,1169 6.155}
{0 CHEMBL504813,1 1.538,2 9.133,3 3.974,4 15.796,5 111.989,6 7.565,7 0.5,8 4.074,9 4.18,10 3.631,11 3.607,12 5.271,13 3.596,14 4.588,15 4.741,16 3.998,17 3.986,18 5.832,19 3.956,20 4.85,21 5.02,22 4.103,23 4.146,24 6.125,25 4.093,26 4.96,27 5.172,28 4.172,29 4.229,30 5.979,31 4.17,32 4.99,33 5.154,34 4.331,35 4.339,36 6.181,37 4.304,38 5.191,39 5.354,40 4.368,41 4.453,42 6.44,43 4.396,44 5.286,45 5.491,46 4.286,47 4.409,48 6.522,49 4.333,50 5.235,51 5.469,52 3.982,53 4.229,54 6.49,55 4.109,56 0.085,57 0.731,58 10.58,59 5.077,60 17.93,61 6.206,62 0.323,63 1.157,64 19.718,65 8.363,66 60.187,67 10.747,68 0.689,69 1.435,70 27.27,71 10.548,72 109.273,73 13.687,74 0.456,75 1.615,76 31.396,77 11.948,78 58.658,79 16.271,80 0.49,81 1.718,82 30.135,83 12.19,84 60.162,85 15.679,86 0.675,87 1.985,88 37.928,89 14.955,90 105.769,91 18.792,92 0.838,93 2.058,94 45.243,95 16.113,96 142.846,97 20.929,98 1.039,99 1.876,100 45.386,101 14.811,102 188.327,103 19.823,104 69,105 45,106 0.254,107 0.629,108 0.767,109 0.828,110 0.846,111 0.846,112 3.442,113 0.906,114 -3.33,115 -3.32,116 -3.18,117 42.6,118 2,119 1,120 1,122 2,126 8,127 3,128 1,130 2,132 1,133 2,134 1,135 1,136 1,137 1,138 1,139 12,142 8,143 1,144 1,145 2,147 13,149 2,150 8,152 1,153 2,154 1,155 8,158 1,159 2,160 8,163 1,165 9,166 2,167 1,169 2,170 8,172 1,173 1,175 3,177 15,178 2,180 1,181 1,182 11,183 1,184 1,185 1,186 5,188 19,189 1,190 3,191 1,192 11,193 1,194 1,196 5,198 18,199 1,200 4,202 1,203 7,204 1,206 1,208 3,209 1,211 8,212 2,213 2,214 1,215 1,216 6,217 1,218 2,219 1,220 4,221 1,222 3,223 4,224 2,225 1430,226 19.673,227 19.673,228 19.673,229 19.673,230 19.673,231 17.309,232 19.408,233 11.72,234 19.835,235 15.806,236 15.806,237 15.806,238 15.806,239 15.806,240 12.107,241 21.95,242 5.586,243 16.076,244 4.216,245 1.942,246 1.102,247 0.732,248 0.621,249 0.621,250 4.118,252 1,253 1,254 563,255 4.416,256 64.536,257 170.665,258 124.647,260 1.351,261 42.213,263 1,264 1,265 0.83,266 0.8,267 0.5,268 1,269 1,270 0.88,271 66,272 274,273 4.851,274 3.856,275 7.252,276 4.422,277 3.444,278 4.819,279 2.423,280 12.926,281 3.375,282 4.048,283 3.63,284 6.183,285 3.701,286 2.685,287 3.494,288 0.98,289 8.818,290 2.714,291 3.971,292 3.41,293 6.097,294 3.595,295 2.631,296 3.462,297 0.922,298 8.728,299 2.546,300 3.786,301 2.897,302 5.402,303 3.409,304 2.415,305 3.251,306 0.522,307 6.891,308 2.391,309 3.536,310 2.838,311 5.289,312 3.214,313 2.233,314 2.728,316 6.285,317 2.165,318 3.407,319 2.624,320 4.898,321 3.078,322 2.095,323 2.664,324 5.252,325 2.041,326 3.127,327 2.307,328 4.616,329 2.853,330 1.848,331 2.238,332 4.858,333 1.849,334 2.952,335 1.866,336 4.539,337 2.55,338 1.579,339 2.102,340 4.475,341 1.529,342 2.813,343 1.836,344 3.829,345 2.398,346 1.406,347 1.906,348 3.138,349 1.392,350 2.716,351 1.512,352 3.696,353 2.24,354 1.246,355 1.74,356 2.839,357 1.231,358 2.5,359 1.387,360 3.499,361 2,362 1,363 1.5,364 2.136,365 1,366 2.337,367 1.138,368 3.247,369 1.821,370 0.784,371 1.074,372 1.901,373 0.797,374 1.806,375 1,376 3.136,377 1.485,378 0.568,379 0.663,380 1.347,381 0.512,382 1.427,383 0.633,384 2.84,385 1.126,386 0.122,387 0.154,388 0.311,389 0.121,390 1.01,391 0.48,392 2.615,393 0.702,394 -0.288,395 -0.349,396 -0.744,397 -0.284,398 13.967,399 0.466,400 0.881,401 0.029,402 37.5,403 1.25,404 19,405 0.633,406 18.5,407 0.617,408 27.623,409 0.921,410 32.833,411 0.608,412 33.115,413 1.104,414 7.579,415 0.253,416 6.711,417 0.224,418 0.196,420 0.387,422 0.757,423 1.173,424 0.791,425 1.05,426 0.685,427 0.941,428 0.654,429 1.105,430 0.768,431 1.011,432 0.451,433 0.928,434 0.765,435 1.067,436 0.95,437 1.008,438 0.709,439 1.017,440 0.647,441 0.988,442 0.74,443 0.904,444 0.546,445 0.85,446 0.764,447 1.044,448 0.87,449 1.029,450 0.726,451 0.972,452 1.045,453 1.188,454 1.14,455 1.218,456 1.043,457 1.202,458 1.136,459 1.079,460 1.101,461 1.105,462 1.239,463 1.1,464 1.166,465 1.015,466 1.218,467 1.077,468 1.121,469 1.143,470 6,471 0.078,472 2.889,473 2.486,474 2.384,475 1.89,476 1.176,477 0.902,478 0.358,479 0.237,480 9113,481 28527,482 1.974,483 44.4,484 7,485 12,487 3,488 2,490 1.742,491 1.8,492 3.108,493 0.867,495 1,497 83.073,498 1.538,499 3.813,500 4.653,501 5.023,502 5.134,503 5.134,504 2.644,505 4.44,506 4.872,507 3.297,508 1434.36,509 8.582,510 19266.3,511 1,512 1,513 310.764,514 1.549,515 4.808,516 0.188,517 0.006,518 0.064,519 0.052,520 0.045,521 0.03,522 0.019,523 0.017,524 0.01,525 0.01,526 0.441,527 0.33,528 1,529 1.481,530 149.511,531 -0.074,532 0.001,533 0.011,534 0.031,535 -0.09,536 0.041,537 0.106,538 -0.01,539 0.105,540 0.031,541 0.16,542 0.061,543 0.145,544 -0.017,545 -0.027,546 0.004,547 0.113,548 -0.042,549 0.063,550 0.044,551 0.189,552 0.1,553 0.034,554 0.158,555 0.039,556 0.054,557 0.021,558 -0.012,559 0.018,560 0.003,561 -0.076,562 -0.149,563 -0.217,564 -0.205,565 -0.075,566 -0.234,567 -0.095,568 -0.111,569 -0.113,570 -0.125,571 -0.119,572 -0.125,573 -0.077,574 -0.083,575 -0.188,576 -0.13,577 -0.039,578 -0.171,579 2.805,580 5.857,581 0.5,582 27.844,583 1.01,584 1.122,585 2.101,586 4.415,587 0.66,588 3.497,589 3.829,590 4.094,591 4.443,592 4.771,593 4.942,594 5.106,595 5.187,596 5.204,597 5.165,598 5.739,599 0.637,600 408.49,601 3.497,602 5.043,603 5.894,604 6.797,605 7.693,606 8.614,607 9.532,608 10.463,609 11.393,610 12.329,611 3.7,613 1,614 1,615 2,616 8,617 4,618 1,619 16,620 1,622 1,623 54,624 19,625 2,626 32,627 56,628 23,629 14,630 4,631 8,632 2,633 3,634 4,635 2,637 1,638 17,639 6,640 1,641 3,643 3,645 3,648 1,650 24,651 6,652 3,653 7,655 2,656 0.667,657 5,661 1,662 1,663 2,664 1,667 1,668 1,671 1,673 2,675 2,677 30,678 1,680 1,681 3,683 1,684 1,687 9.3,689 1,690 3,692 1,693 16.667,694 10.15,695 6.639,696 3.167,699 3.161,700 1.423,701 0.943,702 6.704,703 10.64,704 3.784,705 4.391,706 4.99,707 5.651,708 6.264,709 6.661,710 7.113,711 7.528,712 7.788,713 8.051,714 1,715 48,716 11.176,717 4.828,718 8.078,719 20.642,720 16.725,721 2.578,722 77.333,723 1,724 1,725 247.193,726 132.529,727 34.796,728 129.118,731 132.529,732 376.311,733 34.796,734 17.65,735 42.13,736 75.81,737 128.866,738 27.087,739 4.901,740 247.193,742 247.193,743 167.326,744 129.118,746 247.193,747 129.118,749 61.679,750 105.646,752 247.193,753 163.914,754 132.529,757 247.193,758 39.069,759 95.359,761 162.015,762 247.193,763 163.914,764 132.529,765 0.578,766 0.318,767 0.181,768 0.122,769 20,770 11,771 0.161,772 9,773 1,774 1.133,775 3.8,776 276.981,777 0.133,778 15,779 141.207,781 21.753,782 9.246,783 4.805,784 1.094,785 162.015,786 14.893,787 2.118,788 1.981,789 75.581,790 543.637,791 43,793 35.735,795 -3.012,797 54.56,798 60.611,799 0.267,800 0.663,801 0.809,802 0.873,803 0.892,804 0.892,805 5.024,806 1.579,807 5.9,808 4.858,809 4.511,810 5.078,811 2.686,812 6.758,813 4.478,814 6.25,815 1.406,816 7.486,817 4.475,818 4.205,819 5.017,820 2.243,821 7.801,822 4.165,823 7.573,824 1.246,825 9.18,826 3.138,827 6.129,828 7.326,829 3.878,830 10.979,831 6.06,832 8.935,833 1,834 10.94,835 2.839,836 6.635,837 8.124,838 4.238,839 12.928,840 6.557,841 10.334,842 0.784,843 12.745,844 2.136,845 8.085,846 9.959,847 5.445,848 15.67,849 7.982,850 11.763,851 0.568,852 14.583,853 1.901,854 8.978,855 11.175,856 6.111,857 17.996,858 8.859,859 13.217,860 0.122,861 16.446,862 1.347,863 10.261,864 12.835,865 7.14,866 20.605,867 10.119,868 3.444,869 -0.288,870 18.33,871 0.311,872 11.339,873 14.251,874 7.928,875 23.078,876 11.177,877 2.685,878 12.926,879 20.231,880 -0.744,881 12.57,882 15.848,883 8.879,884 25.647,885 12.387,886 2.631,887 8.818,888 22.145,889 4.819,890 13.732,891 17.353,892 9.719,893 28.174,894 13.527,895 2.415,896 8.728,897 24.07,898 3.494,899 14.954,900 18.929,901 10.635,902 30.734,903 14.727,904 2.233,905 6.891,906 26.004,907 3.462,908 16.155,909 20.473,910 11.499,911 33.281,912 15.905,913 2.095,914 6.285,915 27.946,916 3.251,917 17.378,918 22.044,919 12.399,920 35.84,921 17.107,922 1.848,923 5.252,924 29.894,925 2.728,926 18.596,927 23.604,928 13.274,929 38.394,930 18.303,931 9256,932 16535,933 20.403,934 35.659,935 48.926,936 50.999,937 50.297,938 48.135,939 48.111,940 63.591,941 9.693,942 139.807,943 47.324,944 5.666,945 5.856,946 7.054,947 5.473,948 5.444,949 7.819,950 4.104,951 20.57,952 5.375,953 18.682,954 1.529,955 1.594,956 1.572,957 1.504,958 1.503,959 1.987,960 0.303,961 4.369,962 1.479,963 4.18,964 4.206,965 4.154,966 4.09,967 7.503,968 4.103,969 3.88,970 3.909,971 3.809,972 3.827,973 7.474,974 3.818,975 3.69,976 3.745,977 3.588,978 3.576,979 7.355,980 3.563,981 3.584,982 3.603,983 3.504,984 3.38,985 6.351,986 3.404,987 3.54,988 3.551,989 3.463,990 3.266,991 4.941,992 3.313,993 3.365,994 3.418,995 3.258,996 3.167,997 4.868,998 3.189,999 3.084,1000 3.146,1001 2.971,1002 2.924,1003 4.74,1004 2.926,1005 2.909,1006 3.009,1007 2.808,1008 2.735,1009 4.432,1010 2.741,1011 0.152,1012 0.12,1013 0.227,1014 0.138,1015 0.108,1016 4.851,1017 0.151,1018 3.856,1019 0.076,1020 7.252,1021 0.404,1022 4.422,1023 0.105,1024 3.444,1025 4.819,1026 2.423,1027 12.926,1028 3.375,1029 1.958,1030 1.935,1031 2.064,1032 2.064,1033 1.297,1034 2.063,1035 1.899,1036 1.878,1037 2.003,1038 1.986,1039 1.21,1040 1.989,1041 1.777,1042 1.731,1043 1.975,1044 1.913,1045 1.107,1046 1.937,1047 1.53,1048 1.492,1049 1.679,1050 1.749,1051 0.842,1052 1.726,1053 1.393,1054 1.379,1055 1.579,1056 1.698,1057 0.7,1058 1.652,1059 1.301,1060 1.255,1061 1.49,1062 1.561,1063 0.587,1064 1.546,1065 1.072,1066 1.016,1067 1.417,1068 1.289,1069 0.469,1070 1.312,1071 0.934,1072 0.829,1073 1.349,1074 1.239,1075 0.379,1076 1.308,1077 4.174,1078 5.501,1079 2.398,1080 7.017,1081 4.949,1082 8.631,1083 7.248,1084 10.31,1085 4.037,1087 5.36,1088 9.016,1089 0.453,1091 5.458,1092 0.201,1094 34.412,1095 83.073,1096 205.903,1097 251.254,1098 271.254,1099 277.254,1100 277.254,1101 80.599,1102 7.479,1103 111.62,1104 111.62,1105 17,1106 12.829,1107 4.322,1108 3.585,1109 54.425,1110 102,1111 108,1112 0.27,1113 213.51,1114 376.23,1115 512.724,1116 15316,1118 21.836,1119 0.728,1120 0.564,1121 21.836,1122 16.922,1123 14.291,1124 0.447,1125 0.302,1126 9.534,1127 13.757,1128 9.24,1129 7.724,1130 14.291,1131 9.659,1132 13.281,1133 0.295,1134 0.167,1135 13.281,1136 7.517,1137 10.037,1138 0.17,1139 0.08,1140 10.037,1141 4.747,1142 8.44,1143 0.1,1144 0.043,1145 8.44,1146 3.593,1147 7.611,1148 0.065,1149 0.023,1150 7.611,1151 2.745,1152 0.402,1153 89.787,1154 0.221,1155 27.408,1156 0.82,1157 154,1158 502.049,1159 170.064,1160 478.166,1161 633,1162 442,1163 181,1164 447.76,1165 196.514,1166 452.315,1167 663.06,1168 424,1169 6.301}
{0 CHEMBL506485,1 1.611,2 13.186,3 5.638,4 31.786,5 163.578,6 8.078,7 0.574,8 4.398,9 4.492,10 4.128,11 4.006,12 5.54,13 3.973,14 4.928,15 5.061,16 4.457,17 4.398,18 6.223,19 4.353,20 5.199,21 5.358,22 4.59,23 4.56,24 6.457,25 4.498,26 5.319,27 5.504,28 4.649,29 4.6,30 6.561,31 4.553,32 5.342,33 5.496,34 4.719,35 4.676,36 6.606,37 4.651,38 5.473,39 5.622,40 4.761,41 4.806,42 6.697,43 4.753,44 5.61,45 5.794,46 4.809,47 4.859,48 6.832,49 4.79,50 5.652,51 5.852,52 4.741,53 4.826,54 6.9,55 4.731,56 0.128,57 1.03,58 15.97,59 7.194,60 25.749,61 8.223,62 0.484,63 1.655,64 27.179,65 12.193,66 79.268,67 14.576,68 0.73,69 2.108,70 40.03,71 16.158,72 125.076,73 19.096,74 0.841,75 2.352,76 48.362,77 17.886,78 147.706,79 21.713,80 0.955,81 2.406,82 42.42,83 16.843,84 123.861,85 19.989,86 0.811,87 2.698,88 46.502,89 19.992,90 127.836,91 23.499,92 0.916,93 3.041,94 59.992,95 23.999,96 160.314,97 28.84,98 1.204,99 3.16,100 65.588,101 24.491,102 210.566,103 29.579,104 73,105 68,106 0.244,107 0.566,108 0.704,109 0.799,110 0.845,111 0.853,112 3.788,113 0.972,114 -4.01,115 -3.96,116 -3.75,117 44.6,118 2,119 1,120 1,122 2,126 15,127 5,128 2,130 2,132 1,133 2,134 1,135 1,136 1,139 21,141 1,142 8,144 1,145 4,147 24,149 2,150 13,152 1,153 2,154 3,155 16,158 1,159 4,160 15,163 3,165 13,167 1,169 4,170 15,172 1,173 1,175 4,177 20,180 1,181 1,182 17,184 1,185 1,186 5,188 27,190 3,191 1,192 22,194 1,196 7,198 30,200 5,202 1,203 17,206 1,208 7,211 24,213 4,215 3,216 12,217 1,218 2,219 1,220 6,221 1,222 17,224 3,225 4131,226 28.49,227 28.49,228 28.49,229 28.49,230 28.49,231 24.639,232 22.469,233 16.809,234 28.784,235 23.239,236 23.239,237 23.239,238 23.239,239 23.239,240 17.213,241 23.812,242 8.016,243 23.726,244 4.599,245 2.481,246 1.569,247 0.939,248 0.642,249 0.588,250 4.486,253 1,254 1215,255 5.292,256 79.654,257 469.002,258 150.715,259 179.001,260 1.687,261 66.307,263 0.75,264 0.5,265 0.67,266 0.5,267 0.5,268 0.5,269 0.5,270 0.56,271 93.5,272 567,273 4.933,274 4.689,275 7.348,276 4.484,277 3.506,278 5.001,279 2.014,280 13.319,281 3.434,282 4.852,283 3.86,284 7.306,285 4.307,286 3.387,287 4.701,288 0.98,289 12.495,290 3.087,291 4.312,292 3.583,293 6.509,294 3.899,295 2.89,296 4.05,297 0.878,298 10.077,299 2.916,300 4.004,301 3.464,302 6.121,303 3.644,304 2.666,305 3.503,306 0.522,307 8.841,308 2.61,309 3.848,310 2.956,311 5.871,312 3.445,313 2.452,314 3.299,316 7.812,317 2.445,318 3.794,319 2.87,320 5.403,321 3.406,322 2.42,323 3.249,324 6.903,325 2.354,326 3.63,327 2.652,328 5.339,329 3.254,330 2.251,331 3.076,332 6.496,333 2.243,334 3.467,335 2.626,336 5.188,337 3.144,338 2.159,339 2.722,340 6.18,341 2.115,342 3.416,343 2.25,344 4.914,345 2.955,346 1.951,347 2.694,348 5.067,349 1.954,350 3.074,351 2.02,352 4.661,353 2.779,354 1.782,355 2.274,356 4.832,357 1.773,358 3.038,359 1.838,360 4.605,361 2.641,362 1.66,363 2.118,364 4.764,365 1.622,366 2.9,367 1.804,368 4.081,369 2.432,370 1.435,371 2.041,372 3.153,373 1.431,374 2.804,375 1.559,376 3.693,377 2.348,378 1.359,379 1.895,380 3.087,381 1.338,382 2.694,383 1.466,384 3.658,385 2.181,386 1.191,387 1.76,388 2.874,389 1.175,390 2.515,391 1.354,392 3.623,393 2.072,394 1.094,395 1.517,396 2.736,397 1.064,398 20.533,399 0.478,400 1.281,401 0.03,402 58.5,403 1.36,404 32,405 0.744,406 26.5,407 0.616,408 42.239,409 0.982,410 45.467,411 0.614,412 58.286,413 1.355,414 11.487,415 0.267,416 9.077,417 0.211,418 0.149,419 0.041,420 0.336,422 0.591,423 1.151,424 0.787,425 1.102,426 0.627,427 0.897,428 0.626,429 1.043,430 0.81,431 0.968,432 0.518,433 0.919,434 0.842,435 1.085,436 0.959,437 1.051,438 0.804,439 0.997,440 0.87,441 1.038,442 0.884,443 0.981,444 0.774,445 0.866,446 1.067,447 0.948,448 0.838,449 0.861,450 0.979,451 0.888,452 1.152,453 1.101,454 0.974,455 1.041,456 1.014,457 1.124,458 1.131,459 1.056,460 0.934,461 1.005,462 1.066,463 1.036,464 1.218,465 1.068,466 1.042,467 1.018,468 1.132,469 1.103,470 9,471 0.445,472 4.667,473 3.799,474 3.563,475 2.55,476 1.774,477 1.418,478 0.776,479 0.768,480 27252,481 79697,482 2.039,483 41.9,484 7,485 19,487 3,488 2,490 1.827,491 1.876,492 3.557,493 0.71,497 119.19,498 1.611,499 3.729,500 4.64,501 5.27,502 5.567,503 5.621,504 3.018,505 4.88,506 5.394,507 3.789,508 3421.17,509 9.607,510 58878.6,513 459.5,514 1.618,515 5.336,516 0.191,517 0.008,518 0.069,519 0.051,520 0.044,521 0.028,522 0.019,523 0.015,524 0.01,525 0.012,526 0.448,527 0.33,528 0.63,529 0.989,530 242.084,531 0.023,532 -0.021,533 0.151,534 -0.017,535 -0.107,536 0.047,537 0.179,538 0.022,539 0.073,540 0.028,541 0.164,542 0.027,543 0.092,544 -0.055,545 0.011,546 -0.038,547 0.061,548 -0.034,549 0.107,550 -0.019,551 0.106,552 0.009,553 0.114,554 0.106,555 0.028,556 0.087,557 -0.019,558 0.033,559 -0.015,560 0.024,561 -0.112,562 -0.101,563 -0.177,564 -0.135,565 -0.09,566 -0.197,567 -0.092,568 -0.09,569 -0.039,570 -0.064,571 -0.066,572 -0.067,573 -0.115,574 -0.098,575 -0.094,576 -0.075,577 -0.078,578 -0.133,579 5.04,580 6.495,581 0.581,582 50.769,583 1.01,584 1.115,585 2.778,586 7.719,587 0.69,588 3.871,589 4.234,590 4.522,591 4.868,592 5.193,593 5.389,594 5.635,595 5.811,596 5.945,597 6.014,598 7.674,599 0.661,600 597.74,601 3.871,602 5.442,603 6.308,604 7.222,605 8.123,606 9.052,607 9.972,608 10.91,609 11.841,610 12.784,611 4.1,613 2,614 1,615 4,616 15,617 5,618 1,619 27,620 1,622 1,623 74,624 32,625 4,626 47,627 78,628 33,629 24,630 7,631 15,632 2,633 5,634 8,635 2,637 1,638 27,639 6,640 1,641 5,642 1,643 5,645 3,650 31,651 8,652 3,653 10,654 1,655 3,656 0.6,657 6,661 1,662 1,663 4,664 1,665 1,667 1,673 3,674 1,675 2,677 43,678 1,679 1,681 3,682 1,683 1,684 1,687 8.1,690 5,692 1,693 22.917,694 13.783,695 9.319,696 4.332,699 4.863,700 1.555,701 1.002,702 8.79,703 13.621,704 4.197,705 4.862,706 5.474,707 6.156,708 6.799,709 7.261,710 7.825,711 8.333,712 8.763,713 9.096,714 0.889,715 74,716 16.435,717 7.594,718 8.006,719 29.94,720 25.049,721 2.506,722 107.75,725 329.591,726 215.162,727 51.201,728 130.748,730 5.807,731 209.355,732 460.338,733 51.201,734 17.65,735 58.535,736 147.951,737 134.291,738 33.783,739 4.901,740 329.591,742 329.591,743 260.556,744 130.748,745 5.807,746 329.591,747 130.748,749 78.084,750 182.472,751 5.807,752 329.591,753 181.949,754 215.162,756 5.807,757 329.591,758 49.56,759 161.693,760 16.405,761 163.645,762 329.591,763 181.949,764 215.162,765 0.586,766 0.334,767 0.19,768 0.117,769 32,770 16,771 0.141,772 11,773 2,774 1.16,775 4.778,776 474.956,777 0.16,778 25,779 218.574,780 1,781 30.181,782 12.523,783 6.397,784 2.566,785 180.05,786 26.416,787 1.799,788 2.01,789 49.302,790 726.702,791 65.5,792 -4.124,793 64.092,795 -2.891,797 74.716,798 82.484,799 0.259,800 0.6,801 0.747,802 0.849,803 0.897,804 0.905,805 5.45,806 2.159,807 6.333,808 6.496,809 4.92,810 5.551,811 2.472,812 7.226,813 4.877,814 6.705,815 1.951,816 7.944,817 6.18,818 4.691,819 5.624,820 1.593,821 8.424,822 4.605,823 8.059,824 1.782,825 9.669,826 5.067,827 6.608,828 7.908,829 3.309,830 11.559,831 6.5,832 9.458,833 1.66,834 11.464,835 4.832,836 7.201,837 8.828,838 3.158,839 13.611,840 7.033,841 10.895,842 1.435,843 13.306,844 4.764,845 8.648,846 10.646,847 4.472,848 16.334,849 8.456,850 12.362,851 1.359,852 15.181,853 3.153,854 9.605,855 11.941,856 4.687,857 18.708,858 9.352,859 13.852,860 1.191,861 17.08,862 3.087,863 10.893,864 13.599,865 5.762,866 21.313,867 10.61,868 3.506,869 1.094,870 18.996,871 2.874,872 12.01,873 15.06,874 6.17,875 23.807,876 11.673,877 3.387,878 13.319,879 20.927,880 2.736,881 13.25,882 16.663,883 7.102,884 26.38,885 12.879,886 2.89,887 12.495,888 22.869,889 5.001,890 14.433,891 18.195,892 7.621,893 28.919,894 14.017,895 2.666,896 10.077,897 24.819,898 4.701,899 15.663,900 19.784,901 8.466,902 31.485,903 15.213,904 2.452,905 8.841,906 26.777,907 4.05,908 16.876,909 21.347,910 9.053,911 34.042,912 16.387,913 2.42,914 7.812,915 28.74,916 3.503,917 18.106,918 22.933,919 9.844,920 36.61,921 17.585,922 2.251,923 6.903,924 30.708,925 3.299,926 19.332,927 24.512,928 10.473,929 39.175,930 18.779,931 26157,932 45043,933 30.63,934 51.051,935 72.075,936 75.267,937 73.728,938 71.415,939 71.373,940 97.691,941 8.787,942 213.131,943 70.043,944 5.855,945 6.689,946 7.15,947 5.574,948 5.506,949 8.001,950 3.615,951 21.027,952 5.434,953 25.128,954 1.534,955 1.601,956 1.569,957 1.519,958 1.519,959 2.079,960 0.187,961 4.535,962 1.49,963 4.244,964 4.264,965 4.736,966 4.176,967 7.718,968 4.183,969 4.064,970 4.039,971 4.218,972 4.052,973 7.503,974 3.962,975 3.902,976 3.933,977 3.832,978 3.845,979 7.427,980 3.837,981 3.804,982 3.836,983 3.744,984 3.725,985 7.355,986 3.725,987 3.678,988 3.697,989 3.679,990 3.563,991 6.999,992 3.519,993 3.625,994 3.674,995 3.503,996 3.498,997 4.998,998 3.481,999 3.501,1000 3.531,1001 3.467,1002 3.28,1003 4.871,1004 3.309,1005 3.448,1006 3.45,1007 3.399,1008 3.233,1009 4.748,1010 3.256,1011 0.105,1012 0.1,1013 0.156,1014 0.095,1015 0.075,1016 4.933,1017 0.106,1018 4.689,1019 0.043,1020 7.348,1021 0.283,1022 4.484,1023 0.073,1024 3.506,1025 5.001,1026 2.014,1027 13.319,1028 3.434,1029 2.095,1030 2.081,1031 2.155,1032 2.159,1033 1.351,1034 2.158,1035 1.954,1036 1.962,1037 2.046,1038 2.025,1039 1.293,1040 2.063,1041 1.917,1042 1.887,1043 1.996,1044 2.011,1045 1.156,1046 2.024,1047 1.788,1048 1.751,1049 1.988,1050 1.919,1051 1.145,1052 1.942,1053 1.606,1054 1.579,1055 1.723,1056 1.79,1057 0.868,1058 1.779,1059 1.536,1060 1.534,1061 1.643,1062 1.755,1063 0.794,1064 1.734,1065 1.46,1066 1.413,1067 1.59,1068 1.636,1069 0.751,1070 1.642,1071 1.319,1072 1.303,1073 1.442,1074 1.562,1075 0.549,1076 1.554,1077 4.554,1078 5.905,1079 2.398,1080 7.451,1081 4.949,1082 9.092,1083 7.261,1084 10.793,1085 4.02,1087 5.561,1089 0.196,1090 2.021,1091 5.971,1092 0.114,1094 48.915,1095 119.19,1096 275.922,1097 343.386,1098 389.99,1099 411.99,1100 415.99,1101 124.962,1102 8.758,1103 137.56,1104 145.94,1105 29,1106 13.281,1107 5.044,1108 4.285,1109 70.739,1110 189,1111 246,1112 0.176,1113 301.931,1114 527.81,1115 728.472,1116 82671,1118 30.725,1119 0.715,1120 0.571,1121 30.975,1122 24.558,1123 20.563,1124 0.438,1125 0.324,1126 13.725,1127 19.178,1128 13.215,1129 11.011,1130 21.385,1131 15.232,1132 19.447,1133 0.286,1134 0.181,1135 20.747,1136 12.317,1137 15.387,1138 0.169,1139 0.092,1140 16.522,1141 8.406,1142 13.272,1143 0.103,1144 0.048,1145 14.348,1146 6.234,1147 11.48,1148 0.064,1149 0.025,1150 12.191,1151 4.556,1152 0.269,1153 136.439,1154 0.181,1155 37.161,1156 0.505,1157 230,1158 712.564,1159 286.758,1160 707.621,1161 951.67,1162 652,1163 274,1164 662.833,1165 340.079,1166 709.382,1167 1042.01,1168 665,1169 6.77}
{0 CHEMBL514692,1 1.684,2 13.108,3 4.022,4 16.172,5 137.978,6 8.381,7 0.55,8 4.229,9 4.319,10 3.999,11 3.821,12 5.407,13 3.796,14 4.745,15 4.87,16 4.309,17 4.191,18 6.112,19 4.156,20 4.994,21 5.147,22 4.438,23 4.328,24 6.331,25 4.284,26 5.075,27 5.226,28 4.462,29 4.365,30 6.431,31 4.334,32 5.151,33 5.311,34 4.468,35 4.414,36 6.481,37 4.382,38 5.226,39 5.395,40 4.442,41 4.449,42 6.52,43 4.399,44 5.245,45 5.44,46 4.361,47 4.4,48 6.485,49 4.322,50 5.168,51 5.394,52 4.294,53 4.273,54 6.425,55 4.185,56 0.154,57 0.884,58 13.006,59 5.947,60 26.731,61 6.46,62 0.518,63 1.386,64 21.779,65 9.89,66 74.39,67 11.321,68 0.8,69 1.712,70 32.744,71 12.8,72 124.072,73 14.37,74 0.86,75 1.84,76 36.059,77 13.534,78 136.614,79 15.104,80 0.973,81 1.928,82 35.208,83 14.209,84 125.424,85 16.578,86 0.968,87 2.057,88 38.279,89 15.141,90 137.726,91 17.379,92 0.99,93 2.075,94 43.614,95 16.145,96 143.576,97 18.721,98 0.964,99 1.897,100 45.051,101 15.512,102 156.972,103 19.046,104 55,105 57,106 0.266,107 0.593,108 0.719,109 0.816,110 0.856,111 0.861,112 3.642,113 0.972,114 -2.99,115 -2.99,116 -2.89,117 43.5,118 1,119 1,122 2,126 13,127 3,128 2,130 2,132 1,133 2,134 1,135 1,136 1,139 14,141 1,142 8,144 1,145 4,147 14,149 2,150 12,152 1,153 2,154 3,155 10,158 1,159 4,160 10,163 3,165 7,167 1,169 4,170 12,172 1,173 1,175 4,177 13,180 1,181 1,182 13,184 1,185 1,186 5,188 15,190 3,191 1,192 14,194 1,196 3,198 10,200 2,202 1,203 12,206 1,208 3,211 8,213 2,215 3,216 8,217 1,218 2,219 1,220 4,221 1,222 9,224 2,225 2807,226 24.637,227 24.637,228 24.637,229 24.637,230 24.637,231 21.311,232 22.469,233 14.495,234 24.935,235 19.673,236 19.673,237 19.673,238 19.673,239 19.673,240 14.45,241 23.812,242 6.758,243 20.171,244 4.27,245 2.198,246 1.395,247 0.781,248 0.528,249 0.496,250 4.331,253 1,254 1030,255 4.899,256 86.316,257 360.868,258 164.802,260 1.793,261 61.688,263 0.75,264 0.5,265 0.67,266 0.5,268 0.67,269 1,270 0.58,271 81.5,272 485,273 4.853,274 4.689,275 7.306,276 4.418,277 3.44,278 4.818,279 2.014,280 12.907,281 3.371,282 4.848,283 3.855,284 7.249,285 4.307,286 3.387,287 4.701,288 0.98,289 12.495,290 3.087,291 4.048,292 3.581,293 6.183,294 3.701,295 2.685,296 3.493,297 0.878,298 8.815,299 2.714,300 3.966,301 3.403,302 6.084,303 3.584,304 2.619,305 3.46,306 0.522,307 8.658,308 2.538,309 3.777,310 2.889,311 5.373,312 3.371,313 2.389,314 3.246,316 6.854,317 2.325,318 3.634,319 2.837,320 5.288,321 3.251,322 2.251,323 3.077,324 6.257,325 2.232,326 3.471,327 2.593,328 5.188,329 2.974,330 1.981,331 2.719,332 5.995,333 1.965,334 3.374,335 2.157,336 4.856,337 2.932,338 1.933,339 2.659,340 5.068,341 1.917,342 2.996,343 2.02,344 4.642,345 2.584,346 1.609,347 2.168,348 4.675,349 1.56,350 2.883,351 1.838,352 3.848,353 2.453,354 1.454,355 2.043,356 3.18,357 1.451,358 2.718,359 1.535,360 3.767,361 2.244,362 1.255,363 1.766,364 2.849,365 1.235,366 2.693,367 1.434,368 3.629,369 2.177,370 1.183,371 1.736,372 2.742,373 1.171,374 2.5,375 1.354,376 3.529,377 2,378 1,379 1.5,380 2.136,381 1,382 2.5,383 1.145,384 3.26,385 2,386 1,387 1.5,388 2.136,389 1,390 2.364,391 1,392 3.247,393 1.905,394 0.887,395 1.146,396 2.049,397 0.891,398 17.533,399 0.474,400 1.034,401 0.028,402 51,403 1.378,404 28,405 0.757,406 23,407 0.622,408 31.533,409 0.852,410 39.467,411 0.637,412 47.916,413 1.295,414 10.265,415 0.277,416 7.459,417 0.202,418 0.146,419 0.048,420 0.308,422 0.604,423 1.194,424 0.779,425 1.135,426 0.633,427 0.893,428 0.652,429 1.088,430 0.823,431 0.997,432 0.539,433 0.94,434 0.901,435 1.047,436 0.958,437 1.016,438 0.847,439 0.942,440 0.991,441 1.11,442 1.051,443 1.113,444 0.875,445 1.007,446 0.977,447 1.04,448 0.855,449 0.964,450 0.998,451 1.005,452 1.201,453 1.051,454 0.969,455 0.971,456 1.108,457 1.084,458 1.215,459 1.003,460 1.043,461 0.99,462 1.113,463 1.075,464 0.992,465 0.922,466 0.867,467 0.894,468 0.947,469 0.885,470 7.5,471 0.35,472 4.444,473 3.549,474 2.793,475 1.89,476 0.961,477 0.907,478 0.54,479 0.46,480 19359,481 61296,482 2.016,483 40.3,484 3,485 17,487 3,488 2,490 1.786,491 1.858,492 3.615,493 0.809,497 104.417,498 1.684,499 3.757,500 4.559,501 5.173,502 5.426,503 5.458,504 3.06,505 4.723,506 5.178,507 3.807,508 2535.54,509 9.144,510 40407.5,513 369.16,514 1.621,515 5.118,516 0.188,517 0.009,518 0.078,519 0.057,520 0.043,521 0.028,522 0.015,523 0.016,524 0.011,525 0.01,526 0.455,527 0.33,528 0.88,529 0.964,530 201.807,531 0.011,532 -0.044,533 0.158,534 -0.035,535 -0.112,536 0.042,537 0.166,538 -0.013,539 0.055,540 -0.001,541 0.152,542 -0.006,543 0.068,544 -0.011,545 0.032,546 0.003,547 0.055,548 0.013,549 0.032,550 -0.072,551 -0.073,552 -0.116,553 0.072,554 -0.066,555 0.057,556 -0.058,557 -0.033,558 -0.065,559 -0.016,560 -0.067,561 -0.134,562 -0.076,563 -0.135,564 -0.08,565 -0.112,566 -0.146,567 -0.152,568 -0.045,569 -0.096,570 -0.051,571 -0.132,572 -0.099,573 0.01,574 0.007,575 0.178,576 0.089,577 0.028,578 0.146,579 4.996,580 5.937,581 0.568,582 42.387,583 1.017,584 1.117,585 1.762,586 3.103,587 0.69,588 3.714,589 4.06,590 4.344,591 4.644,592 4.898,593 4.99,594 5.124,595 5.231,596 5.303,597 5.328,598 7.6,599 0.667,600 519.62,601 3.714,602 5.273,603 6.133,604 7.036,605 7.926,606 8.84,607 9.744,608 10.665,609 11.577,610 12.502,611 4.8,613 2,614 1,615 2,616 13,617 5,618 1,619 22,620 1,622 1,623 62,624 27,625 3,626 40,627 65,628 27,629 20,630 5,631 13,632 2,633 4,634 5,635 1,637 1,638 23,639 4,641 5,642 1,643 5,645 3,650 25,651 8,652 3,653 10,654 1,655 3,656 0.75,657 6,661 1,662 1,663 3,664 1,667 1,673 3,674 1,675 1,677 37,678 1,679 1,681 3,682 1,683 1,687 9.7,690 5,692 1,693 19.917,694 11.283,695 8.181,696 3.596,699 3.817,700 1.474,701 0.996,702 7.888,703 11.877,704 4.043,705 4.684,706 5.261,707 5.879,708 6.429,709 6.733,710 7.153,711 7.53,712 7.804,713 8.074,714 0.889,715 62,716 14.143,717 6.53,718 8.124,719 25.403,720 20.899,721 2.624,722 97.083,725 258.964,726 182.238,727 51.201,728 130.748,730 5.807,731 176.431,732 389.712,733 51.201,734 8.825,735 58.535,736 128.999,737 134.291,738 28.637,739 4.901,740 258.964,742 258.964,743 227.632,744 130.748,745 5.807,746 258.964,747 130.748,749 69.259,750 158.373,751 5.807,752 258.964,753 181.949,754 182.238,756 5.807,757 258.964,758 44.415,759 133.916,760 16.405,761 163.645,762 258.964,763 181.949,764 182.238,765 0.582,766 0.345,767 0.192,768 0.111,769 26,770 13,771 0.154,772 10,773 1,774 1.095,775 4.47,776 366.297,777 0.095,778 21,779 180.75,780 1,781 26.301,782 11.096,783 5.647,784 0.943,785 180.05,786 22.066,787 1.758,788 1.91,789 49.302,790 623.152,791 56,792 -4.079,793 62.269,795 -2.89,797 63.065,798 69.239,799 0.283,800 0.631,801 0.766,802 0.869,803 0.911,804 0.917,805 5.286,806 1.933,807 6.155,808 5.995,809 4.745,810 5.373,811 2.472,812 7.041,813 4.694,814 6.536,815 1.609,816 7.766,817 5.068,818 4.511,819 5.44,820 1.593,821 8.264,822 4.406,823 7.89,824 1.454,825 9.494,826 4.675,827 6.435,828 7.709,829 3.309,830 11.376,831 6.305,832 9.289,833 1.255,834 11.293,835 3.18,836 7.04,837 8.624,838 3.158,839 13.446,840 6.841,841 10.728,842 1.183,843 13.14,844 2.849,845 8.484,846 10.424,847 4.472,848 16.151,849 8.258,850 12.195,851 1,852 15.018,853 2.742,854 9.45,855 11.71,856 4.687,857 18.526,858 9.156,859 13.685,860 1,861 16.92,862 2.136,863 10.735,864 13.351,865 5.762,866 21.115,867 10.406,868 3.44,869 0.887,870 18.84,871 2.136,872 11.854,873 14.796,874 6.17,875 23.6,876 11.466,877 3.387,878 12.907,879 20.773,880 2.049,881 13.089,882 16.382,883 7.102,884 26.155,885 12.663,886 2.685,887 12.495,888 22.716,889 4.818,890 14.27,891 17.895,892 7.621,893 28.678,894 13.794,895 2.619,896 8.815,897 24.667,898 4.701,899 15.494,900 19.464,901 8.466,902 31.225,903 14.979,904 2.389,905 8.658,906 26.625,907 3.493,908 16.7,909 21.005,910 9.053,911 33.762,912 16.143,913 2.251,914 6.854,915 28.588,916 3.46,917 17.923,918 22.568,919 9.844,920 36.307,921 17.329,922 1.981,923 6.257,924 30.554,925 3.246,926 19.141,927 24.121,928 10.473,929 38.849,930 18.51,931 18750,932 33617,933 25.948,934 42.767,935 60.716,936 63.726,937 62.507,938 60.188,939 60.122,940 82.451,941 8.787,942 177.955,943 58.795,944 5.775,945 6.689,946 7.108,947 5.508,948 5.44,949 7.818,950 3.615,951 20.549,952 5.371,953 21.413,954 1.518,955 1.593,956 1.563,957 1.505,958 1.503,959 2.061,960 0.22,961 4.449,962 1.47,963 4.182,964 4.206,965 4.736,966 4.097,967 7.718,968 4.103,969 4.062,970 4.038,971 4.151,972 4.045,973 7.503,974 3.96,975 3.88,976 3.909,977 3.809,978 3.827,979 7.427,980 3.818,981 3.68,982 3.697,983 3.679,984 3.562,985 7.355,986 3.522,987 3.607,988 3.63,989 3.568,990 3.477,991 6.999,992 3.475,993 3.509,994 3.549,995 3.454,996 3.272,997 4.943,998 3.307,999 3.4,1000 3.407,1001 3.345,1002 3.2,1003 4.868,1004 3.201,1005 3.258,1006 3.326,1007 3.082,1008 3.087,1009 4.741,1010 3.076,1011 0.121,1012 0.117,1013 0.183,1014 0.11,1015 0.086,1016 4.853,1017 0.12,1018 4.689,1019 0.05,1020 7.306,1021 0.323,1022 4.418,1023 0.084,1024 3.44,1025 4.818,1026 2.014,1027 12.907,1028 3.371,1029 1.961,1030 1.964,1031 2.062,1032 2.064,1033 1.231,1034 2.068,1035 1.952,1036 1.934,1037 1.996,1038 2.024,1039 1.164,1040 2.057,1041 1.896,1042 1.875,1043 1.988,1044 1.978,1045 1.154,1046 1.982,1047 1.713,1048 1.675,1049 1.891,1050 1.867,1051 1.055,1052 1.871,1053 1.54,1054 1.542,1055 1.616,1056 1.759,1057 0.772,1058 1.754,1059 1.393,1060 1.359,1061 1.576,1062 1.671,1063 0.713,1064 1.643,1065 1.283,1066 1.267,1067 1.487,1068 1.505,1069 0.532,1070 1.523,1071 1.227,1072 1.175,1073 1.238,1074 1.434,1075 0.516,1076 1.46,1077 4.394,1078 5.733,1079 2.398,1080 7.27,1081 4.949,1082 8.899,1083 7.248,1084 10.58,1085 1.857,1087 5.372,1089 0.206,1090 1.969,1091 5.702,1094 41.335,1095 104.417,1096 232.91,1097 282.648,1098 320.754,1099 336.405,1100 338.405,1101 109.884,1102 8.06,1103 137.56,1104 145.94,1105 23,1106 13.01,1107 4.807,1108 4.087,1109 64.552,1110 163,1111 190,1112 0.187,1113 257.625,1114 452.55,1115 620.365,1116 36506,1118 26.579,1119 0.718,1120 0.563,1121 26.829,1122 20.826,1123 17.724,1124 0.443,1125 0.324,1126 11.459,1127 16.337,1128 11.075,1129 9.192,1130 18.545,1131 12.965,1132 16.299,1133 0.286,1134 0.174,1135 17.599,1136 9.903,1137 13.265,1138 0.175,1139 0.094,1140 14.4,1141 7.178,1142 11.141,1143 0.108,1144 0.05,1145 12.217,1146 5.196,1147 9.19,1148 0.069,1149 0.027,1150 9.901,1151 3.555,1152 0.291,1153 119.405,1154 0.196,1155 33.402,1156 0.52,1157 194,1158 652.564,1159 250.758,1160 643.964,1161 857.67,1162 592,1163 230,1164 587.833,1165 295.913,1166 629.283,1167 921.7,1168 590,1169 6.77}
{0 CHEMBL514705,1 1.504,2 9.118,3 4.883,4 23.842,5 128.439,6 7.642,7 0.568,8 4.185,9 4.287,10 3.759,11 3.753,12 5.37,13 3.737,14 4.701,15 4.847,16 4.141,17 4.149,18 5.925,19 4.116,20 4.971,21 5.136,22 4.265,23 4.322,24 6.216,25 4.268,26 5.09,27 5.293,28 4.357,29 4.409,30 6.103,31 4.353,32 5.139,33 5.295,34 4.527,35 4.529,36 6.302,37 4.499,38 5.339,39 5.488,40 4.592,41 4.673,42 6.553,43 4.621,44 5.479,45 5.667,46 4.604,47 4.703,48 6.708,49 4.637,50 5.509,51 5.719,52 4.411,53 4.607,54 6.795,55 4.508,56 0.072,57 0.8,58 11.449,59 5.659,60 17.379,61 6.841,62 0.303,63 1.294,64 21.364,65 9.506,66 59.514,67 12.02,68 0.661,69 1.643,70 29.854,71 12.25,72 109.402,73 15.626,74 0.413,75 1.879,76 34.742,77 13.866,78 55.995,79 18.569,80 0.488,81 2.009,82 34.013,83 14.116,84 60.199,85 17.784,86 0.654,87 2.344,88 42.168,89 17.646,90 102.958,91 21.492,92 0.749,93 2.603,94 52.183,95 20.5,96 135.273,97 25.878,98 1.052,99 2.615,100 56.664,101 20.527,102 204.946,103 26.255,104 69,105 53,106 0.24,107 0.603,108 0.746,109 0.818,110 0.849,111 0.855,112 3.562,113 0.898,114 -4.01,115 -3.96,116 -3.75,117 45,118 2,119 1,120 1,122 2,126 10,127 5,128 1,130 2,132 1,133 2,134 1,135 1,136 1,137 1,138 1,139 17,142 8,143 1,144 1,145 2,147 20,149 2,150 9,152 1,153 2,154 1,155 14,158 1,159 2,160 11,163 1,165 13,166 2,167 1,169 2,170 11,172 1,173 1,175 3,177 20,178 2,180 1,181 1,182 13,183 1,184 1,185 1,186 5,188 27,189 2,190 3,191 1,192 15,193 1,194 1,196 7,198 30,199 3,200 5,202 1,203 12,204 1,206 1,208 7,209 1,211 20,212 3,213 4,214 1,215 1,216 8,217 1,218 2,219 1,220 6,221 1,222 9,223 4,224 3,225 1980,226 22.535,227 22.535,228 22.535,229 22.535,230 22.535,231 19.645,232 19.408,233 13.371,234 22.693,235 18.3,236 18.3,237 18.3,238 18.3,239 18.3,240 13.765,241 21.95,242 6.401,243 18.563,244 4.403,245 2.134,246 1.239,247 0.785,248 0.592,249 0.558,250 4.253,252 1,253 1,254 650,255 4.528,256 57.96,257 236.434,258 107.57,259 127.421,260 1.256,261 45.133,263 1,264 0.83,265 0.83,266 0.8,267 0.5,268 1,269 1,270 0.85,271 74,272 310,273 4.933,274 3.86,275 7.348,276 4.484,277 3.506,278 5.001,279 2.423,280 13.319,281 3.434,282 4.312,283 3.631,284 6.509,285 3.899,286 2.89,287 4.05,288 0.98,289 10.077,290 2.916,291 4.004,292 3.467,293 6.121,294 3.644,295 2.666,296 3.503,297 0.922,298 8.84,299 2.61,300 3.848,301 2.957,302 5.871,303 3.443,304 2.447,305 3.299,306 0.522,307 7.811,308 2.445,309 3.792,310 2.87,311 5.402,312 3.399,313 2.419,314 3.249,316 6.903,317 2.344,318 3.522,319 2.652,320 5.337,321 3.195,322 2.203,323 2.722,324 6.477,325 2.165,326 3.416,327 2.626,328 4.93,329 3.107,330 2.118,331 2.688,332 5.233,333 2.074,334 3.073,335 2.25,336 4.623,337 2.779,338 1.782,339 2.274,340 4.816,341 1.773,342 3.038,343 1.838,344 4.604,345 2.641,346 1.659,347 2.118,348 4.738,349 1.621,350 2.9,351 1.804,352 4.067,353 2.432,354 1.434,355 2.041,356 3.126,357 1.431,358 2.804,359 1.559,360 3.69,361 2.347,362 1.357,363 1.894,364 3.087,365 1.337,366 2.515,367 1.466,368 3.655,369 2.072,370 1.098,371 1.517,372 2.865,373 1.064,374 2.5,375 1.272,376 3.535,377 2,378 1,379 1.5,380 2.136,381 1,382 2.366,383 1.053,384 3.247,385 1.829,386 0.785,387 1.089,388 1.903,389 0.804,390 1.794,391 1,392 3.22,393 1.439,394 0.515,395 0.624,396 1.2,397 0.468,398 15.967,399 0.47,400 0.984,401 0.029,402 44,403 1.294,404 23,405 0.676,406 21,407 0.618,408 32.652,409 0.96,410 36.233,411 0.604,412 40.513,413 1.192,414 8.801,415 0.259,416 7.473,417 0.22,418 0.171,420 0.401,422 0.744,423 1.096,424 0.775,425 0.988,426 0.677,427 0.899,428 0.643,429 1.046,430 0.763,431 0.965,432 0.447,433 0.899,434 0.738,435 1.049,436 0.924,437 0.983,438 0.693,439 0.99,440 0.631,441 0.999,442 0.722,443 0.893,444 0.53,445 0.833,446 0.816,447 0.999,448 0.852,449 0.967,450 0.704,451 0.913,452 1.086,453 1.139,454 1.129,455 1.168,456 1.017,457 1.158,458 1.077,459 1.094,460 1.04,461 1.112,462 1.157,463 1.08,464 1.193,465 1.113,466 1.223,467 1.16,468 1.19,469 1.19,470 6.5,471 0.078,472 3.111,473 2.736,474 3.074,475 2.224,476 1.651,477 1.268,478 0.56,479 0.353,480 12644,481 37428,482 2.025,483 43.3,484 7,485 14,487 3,488 2,490 1.776,491 1.855,492 3.073,493 0.782,497 90.21,498 1.504,499 3.773,500 4.668,501 5.122,502 5.315,503 5.348,504 2.598,505 4.793,506 5.054,507 3.276,508 1837.66,509 8.962,510 26698.3,513 354.413,514 1.527,515 4.996,516 0.176,517 0.006,518 0.059,519 0.047,520 0.047,521 0.029,522 0.021,523 0.016,524 0.009,525 0.01,526 0.42,527 0.33,528 1,529 1.387,530 174.845,531 -0.067,532 0.028,533 0.018,534 0.049,535 -0.088,536 0.052,537 0.107,538 0.024,539 0.1,540 0.055,541 0.154,542 0.072,543 0.153,544 -0.013,545 -0.011,546 0.019,547 0.11,548 -0.022,549 0.074,550 0.038,551 0.206,552 0.102,553 0.036,554 0.164,555 0.029,556 0.089,557 0.039,558 0.024,559 0.017,560 0.037,561 -0.087,562 -0.105,563 -0.219,564 -0.168,565 -0.081,566 -0.209,567 -0.063,568 -0.112,569 -0.074,570 -0.119,571 -0.07,572 -0.104,573 -0.081,574 -0.151,575 -0.211,576 -0.191,577 -0.033,578 -0.218,579 2.81,580 6.193,581 0.559,582 31.927,583 1.007,584 1.117,585 2.782,586 7.738,587 0.674,588 3.638,589 3.989,590 4.29,591 4.673,592 5.05,593 5.288,594 5.541,595 5.72,596 5.814,597 5.814,598 5.854,599 0.649,600 458.55,601 3.638,602 5.198,603 6.066,604 6.982,605 7.895,606 8.831,607 9.766,608 10.714,609 11.661,610 12.614,611 3.3,613 1,614 1,615 4,616 10,617 4,618 1,619 21,620 1,622 1,623 60,624 24,625 3,626 37,627 63,628 27,629 18,630 6,631 10,632 2,633 4,634 7,635 2,637 1,638 21,639 6,640 1,641 3,643 3,645 3,650 26,651 6,652 3,653 7,655 2,656 0.5,657 5,661 1,662 1,663 3,664 1,665 1,667 1,668 1,671 1,673 2,675 2,677 34,678 1,680 1,681 3,683 1,684 1,687 8.3,689 1,690 3,692 1,693 18.333,694 11.317,695 7.444,696 3.569,699 4.284,700 1.524,701 0.971,702 6.826,703 12.453,704 3.942,705 4.593,706 5.251,707 5.973,708 6.669,709 7.19,710 7.769,711 8.305,712 8.724,713 9.042,714 1,715 58,716 12.683,717 5.556,718 7.99,719 23.605,720 19.521,721 2.49,722 84.667,724 1,725 270.735,726 156.628,727 34.796,728 129.118,731 156.628,732 399.853,733 34.796,734 17.65,735 42.13,736 94.762,737 128.866,738 32.232,739 4.901,740 270.735,742 270.735,743 191.424,744 129.118,746 270.735,747 129.118,749 61.679,750 129.745,752 270.735,753 163.914,754 156.628,757 270.735,758 44.215,759 114.312,761 162.015,762 270.735,763 163.914,764 156.628,765 0.581,766 0.324,767 0.188,768 0.128,769 25,770 13,771 0.143,772 9,773 2,774 1.211,775 4.048,776 348.022,777 0.211,778 19,779 166.974,781 23.683,782 9.799,783 4.772,784 2.818,785 162.015,786 19.141,787 2.105,788 2.038,789 75.581,790 591.277,791 50.5,793 36.599,795 -3.028,797 60.443,798 67.026,799 0.255,800 0.639,801 0.79,802 0.867,803 0.9,804 0.905,805 5.189,806 1.782,807 6.075,808 5.233,809 4.673,810 5.281,811 2.686,812 6.956,813 4.645,814 6.428,815 1.659,816 7.672,817 4.816,818 4.369,819 5.255,820 2.243,821 8.021,822 4.336,823 7.762,824 1.434,825 9.375,826 4.738,827 6.312,828 7.593,829 3.878,830 11.217,831 6.254,832 9.137,833 1.357,834 11.145,835 3.126,836 6.825,837 8.431,838 4.238,839 13.18,840 6.76,841 10.548,842 1.098,843 12.958,844 3.087,845 8.287,846 10.287,847 5.445,848 15.938,849 8.199,850 11.989,851 1,852 14.804,853 2.865,854 9.189,855 11.54,856 6.111,857 18.278,858 9.086,859 13.455,860 0.785,861 16.675,862 2.136,863 10.481,864 13.219,865 7.14,866 20.904,867 10.357,868 3.506,869 0.515,870 18.565,871 1.903,872 11.568,873 14.668,874 7.928,875 23.395,876 11.424,877 2.89,878 13.319,879 20.472,880 1.2,881 12.809,882 16.287,883 8.879,884 25.985,885 12.643,886 2.666,887 10.077,888 22.392,889 5.001,890 13.982,891 17.823,892 9.719,893 28.534,894 13.794,895 2.447,896 8.84,897 24.323,898 4.05,899 15.213,900 19.425,901 10.635,902 31.118,903 15.003,904 2.419,905 7.811,906 26.263,907 3.503,908 16.426,909 21,910 11.499,911 33.69,912 16.191,913 2.203,914 6.903,915 28.211,916 3.299,917 17.661,918 22.6,919 12.399,920 36.274,921 17.403,922 2.118,923 6.477,924 30.166,925 3.249,926 18.892,927 24.192,928 13.274,929 38.855,930 18.611,931 12526,932 21716,933 23.986,934 40.421,935 56.869,936 59.139,937 58.549,938 56.091,939 56.073,940 75.537,941 9.693,942 165.912,943 55.288,944 5.75,945 5.86,946 7.15,947 5.535,948 5.506,949 8.001,950 4.104,951 21.027,952 5.434,953 20.164,954 1.537,955 1.598,956 1.582,957 1.516,958 1.515,959 2.042,960 0.262,961 4.484,962 1.494,963 4.24,964 4.261,965 4.219,966 4.172,967 7.503,968 4.181,969 3.902,970 3.933,971 3.831,972 3.845,973 7.474,974 3.838,975 3.804,976 3.836,977 3.744,978 3.725,979 7.355,980 3.725,981 3.63,982 3.682,983 3.514,984 3.499,985 6.351,986 3.486,987 3.567,988 3.571,989 3.494,990 3.307,991 4.996,992 3.347,993 3.493,994 3.528,995 3.41,996 3.242,997 4.871,998 3.288,999 3.282,1000 3.317,1001 3.199,1002 3.129,1003 4.747,1004 3.14,1005 3.048,1006 3.113,1007 2.915,1008 2.917,1009 4.559,1010 2.907,1011 0.133,1012 0.104,1013 0.199,1014 0.121,1015 0.095,1016 4.933,1017 0.135,1018 3.86,1019 0.065,1020 7.348,1021 0.36,1022 4.484,1023 0.093,1024 3.506,1025 5.001,1026 2.423,1027 13.319,1028 3.434,1029 2.095,1030 2.081,1031 2.155,1032 2.158,1033 1.351,1034 2.158,1035 1.917,1036 1.887,1037 2.046,1038 2.012,1039 1.293,1040 2.024,1041 1.788,1042 1.751,1043 1.988,1044 1.919,1045 1.145,1046 1.942,1047 1.601,1048 1.572,1049 1.72,1050 1.779,1051 0.866,1052 1.758,1053 1.468,1054 1.428,1055 1.64,1056 1.718,1057 0.787,1058 1.678,1059 1.392,1060 1.365,1061 1.568,1062 1.63,1063 0.694,1064 1.624,1065 1.264,1066 1.232,1067 1.437,1068 1.512,1069 0.534,1070 1.494,1071 1.061,1072 1.011,1073 1.417,1074 1.259,1075 0.469,1076 1.308,1077 4.317,1078 5.659,1079 2.398,1080 7.197,1081 4.949,1082 8.839,1083 7.261,1084 10.548,1085 4.061,1087 5.473,1088 9.229,1089 0.39,1091 5.666,1092 0.174,1094 38.938,1095 90.21,1096 226.359,1097 280.075,1098 307.294,1099 318.904,1100 320.904,1101 84.412,1102 8.169,1103 111.62,1104 111.62,1105 23,1106 13.103,1107 4.644,1108 3.858,1109 55.855,1110 117,1111 128,1112 0.238,1113 238.631,1114 416.89,1115 574.02,1116 36231,1118 24.405,1119 0.718,1120 0.561,1121 24.405,1122 19.077,1123 16.274,1124 0.44,1125 0.299,1126 10.944,1127 15.742,1128 10.617,1129 8.85,1130 16.274,1131 11.07,1132 15.208,1133 0.287,1134 0.164,1135 15.208,1136 8.687,1137 11.887,1138 0.165,1139 0.079,1140 11.887,1141 5.707,1142 10.27,1143 0.097,1144 0.042,1145 10.27,1146 4.4,1147 9.509,1148 0.061,1149 0.022,1150 9.509,1151 3.453,1152 0.351,1153 101.686,1154 0.204,1155 30.094,1156 0.734,1157 180,1158 552.049,1159 196.064,1160 530.538,1161 712.46,1162 492,1163 215,1164 512.76,1165 230.68,1166 520.37,1167 767.33,1168 489,1169 7.097}
{0 CHEMBL514841,1 1.459,2 8.138,3 4.505,4 20.298,5 113.055,6 7.578,7 0.656,8 4.025,9 4.131,10 3.607,11 3.622,12 5.18,13 3.599,14 4.535,15 4.686,16 3.978,17 4.015,18 5.665,19 3.978,20 4.758,21 4.92,22 4.141,23 4.182,24 5.965,25 4.137,26 4.883,27 5.048,28 4.231,29 4.279,30 5.958,31 4.232,32 5.019,33 5.189,34 4.328,35 4.378,36 6.158,37 4.328,38 5.149,39 5.321,40 4.297,41 4.439,42 6.341,43 4.368,44 5.192,45 5.399,46 4.111,47 4.397,48 6.336,49 4.281,50 5.142,51 5.416,52 3.802,53 4.179,54 6.194,55 4.014,56 0.02,57 0.679,58 9.716,59 4.687,60 9.579,61 5.843,62 0.161,63 1.1,64 18.169,65 7.904,66 28.606,67 10.065,68 0.282,69 1.363,70 23.341,71 9.888,72 64.603,73 12.751,74 0.24,75 1.563,76 26.346,77 10.941,78 28.622,79 14.112,80 0.347,81 1.751,82 30.94,83 12.841,84 46.251,85 16.434,86 0.553,87 1.929,88 36.518,89 14.358,90 83.523,91 17.733,92 0.439,93 1.983,94 39.87,95 15.691,96 94.46,97 19.996,98 0.418,99 1.851,100 41.797,101 15.514,102 95.523,103 21.279,104 36,105 46,106 0.241,107 0.586,108 0.728,109 0.817,110 0.854,111 0.861,112 3.41,113 0.896,114 -4.19,115 -4.13,116 -3.91,117 47.1,118 1,119 1,121 1,122 1,126 10,127 5,128 1,130 2,132 1,133 1,134 1,135 1,136 1,139 15,142 8,144 1,145 1,147 17,149 1,150 9,152 1,153 1,154 1,155 14,158 1,159 2,160 9,163 1,165 11,167 1,169 2,170 9,172 1,173 1,175 1,177 18,180 1,181 1,182 9,184 1,185 1,186 3,188 23,190 3,192 9,196 3,198 20,200 3,203 9,208 4,211 12,213 4,216 5,220 3,222 5,224 3,225 1252,226 19.845,227 19.845,228 19.845,229 19.845,230 19.845,231 17.162,232 17.812,233 11.594,234 20.057,235 15.672,236 15.672,237 15.672,238 15.672,239 15.672,240 11.403,241 20.71,242 5.306,243 15.921,244 4.214,245 2.126,246 1.262,247 0.728,248 0.5,249 0.461,250 4.104,252 1,253 1,254 503,255 3.674,256 47.324,257 191.969,258 86.055,259 101.085,260 1.118,261 29.069,263 1,264 1,265 1,266 0.6,267 0.5,268 1,269 1,270 0.87,271 62,272 236,273 4.932,274 3.859,275 7.345,276 4.48,277 3.502,278 5,279 0.98,280 13.303,281 3.43,282 4.309,283 3.47,284 6.507,285 3.894,286 2.883,287 4.049,288 0.86,289 10.057,290 2.914,291 4,292 2.945,293 6.106,294 3.633,295 2.654,296 3.502,297 0.522,298 8.763,299 2.599,300 3.843,301 2.87,302 5.867,303 3.429,304 2.422,305 3.295,307 7.777,308 2.433,309 3.771,310 2.644,311 5.366,312 3.338,313 2.374,314 3.241,316 6.873,317 2.271,318 3.354,319 2.594,320 5.332,321 2.923,322 1.932,323 2.683,324 6.217,325 1.911,326 3.073,327 2.058,328 4.9,329 2.647,330 1.668,331 2.276,332 4.848,333 1.626,334 2.907,335 1.799,336 4.118,337 2.443,338 1.443,339 2.086,340 3.171,341 1.442,342 2.815,343 1.513,344 3.748,345 2.362,346 1.372,347 1.903,348 3.087,349 1.352,350 2.559,351 1.461,352 3.657,353 2.136,354 1.158,355 1.58,356 2.878,357 1.129,358 2.5,359 1.268,360 3.553,361 2,362 1,363 1.5,364 2.136,365 1,366 2.386,367 1,368 3.247,369 1.886,370 0.866,371 1.148,372 1.994,373 0.869,374 1.762,375 0.879,376 3.233,377 1.465,378 0.473,379 0.587,380 0.901,381 0.456,382 1.593,383 0.724,384 2.847,385 1.288,386 0.347,387 0.424,388 0.563,389 0.329,390 1.23,391 0.222,392 2.785,393 0.933,394 -0.043,395 -0.053,396 -0.097,397 -0.042,398 13.8,399 0.476,400 0.696,401 0.024,402 39.5,403 1.362,404 21.5,405 0.741,406 18,407 0.621,408 24.386,409 0.841,410 30,411 0.588,412 33.032,413 1.139,414 8.007,415 0.276,416 6.055,417 0.209,418 0.15,420 0.391,422 0.719,423 1.082,424 0.766,425 0.964,426 0.631,427 0.88,428 0.838,429 0.963,430 0.78,431 0.862,432 0.54,433 0.82,434 0.766,435 1.038,436 0.811,437 0.936,438 0.633,439 0.889,440 0.861,441 1.112,442 0.91,443 1.038,444 0.779,445 0.985,446 0.892,447 1.065,448 0.91,449 1.051,450 0.858,451 0.993,452 1.363,453 1.038,454 1.216,455 1.085,456 1.274,457 1.121,458 1.3,459 1.1,460 1.273,461 1.168,462 1.368,463 1.213,464 0.962,465 0.955,466 1.008,467 1,468 1.112,469 1.013,470 4.5,471 0.037,472 2.889,473 2.736,474 2.914,475 1.925,476 1.08,477 0.596,478 0.292,479 0.139,480 8489,481 22876,482 2.07,483 43.1,484 3,485 15,487 2,488 2,490 1.734,491 1.912,492 2.966,493 0.16,497 74.392,498 1.459,499 3.547,500 4.411,501 4.945,502 5.172,503 5.211,504 2.388,505 4.418,506 4.827,507 3.135,508 1272.98,509 8.491,510 16396.4,511 1,513 289.294,514 1.487,515 4.777,516 0.141,517 0.009,518 0.063,519 0.052,520 0.051,521 0.031,522 0.019,523 0.013,524 0.009,525 0.009,526 0.396,527 0.33,528 1,529 1.111,530 141.223,531 -0.04,532 0.006,533 0.037,534 0.024,535 -0.076,536 0.042,537 0.008,538 0.083,539 0.103,540 0.123,541 0.071,542 0.125,543 0.127,544 -0.006,545 0.095,546 0.045,547 0.199,548 0.06,549 0.042,550 -0.058,551 -0.003,552 -0.072,553 -0.026,554 -0.049,555 0.104,556 -0.044,557 0.02,558 -0.077,559 0.042,560 -0.047,561 -0.106,562 -0.038,563 -0.251,564 -0.118,565 -0.08,566 -0.19,567 -0.186,568 -0.143,569 -0.285,570 -0.186,571 -0.152,572 -0.241,573 -0.028,574 -0.043,575 0.047,576 -0.009,577 -0.02,578 0.024,579 2.631,580 5.865,581 0.655,582 23.615,583 1,584 1.113,585 2.959,586 8.755,587 0.686,588 3.497,589 3.85,590 4.22,591 4.595,592 4.949,593 5.147,594 5.338,595 5.489,596 5.561,597 5.521,598 5.262,599 0.656,600 386.48,601 3.497,602 5.056,603 5.948,604 6.87,605 7.798,606 8.737,607 9.679,608 10.628,609 11.577,610 12.529,611 3.9,613 1,614 1,615 4,616 10,617 4,618 1,619 21,620 1,622 1,623 51,624 23,625 3,626 32,627 54,628 24,629 18,630 6,631 10,632 2,633 4,634 7,635 1,637 1,638 20,639 4,641 2,643 2,645 2,648 1,650 22,651 4,652 2,653 5,655 2,656 0.5,657 3,661 1,662 1,663 3,664 1,665 1,667 1,673 2,675 2,677 29,678 1,681 2,683 1,687 5.9,690 2,692 1,693 15.167,694 9.867,695 6.528,696 3.103,699 4.259,700 1.541,701 1.014,702 5.121,703 12.133,704 3.818,705 4.497,706 5.219,707 5.942,708 6.629,709 7.129,710 7.68,711 8.201,712 8.608,713 8.904,714 1,715 53,716 10.762,717 4.664,718 7.816,719 20.362,720 16.866,721 2.316,722 67.167,723 1,724 1,725 235.422,726 153.183,727 34.796,728 61.29,731 153.183,732 296.712,733 34.796,734 19.708,735 37.537,736 94.762,737 60.128,738 32.232,739 4.901,740 235.422,742 235.422,743 187.98,744 61.29,746 235.422,747 61.29,749 48.262,750 139.718,752 235.422,753 96.086,754 153.183,757 235.422,758 38.713,759 116.37,761 94.187,762 235.422,763 96.086,764 153.183,765 0.577,766 0.36,767 0.213,768 0.135,769 23,770 11,771 0.111,772 6,773 2,774 1.211,775 3.727,776 281.843,777 0.211,778 19,779 136.881,781 19.223,782 7.726,783 3.197,784 3.523,785 94.187,786 19.909,787 2.782,788 2.117,789 32.897,790 484.692,791 44.5,793 24.73,795 -1.652,797 51.022,798 56.777,799 0.257,800 0.625,801 0.778,802 0.872,803 0.912,804 0.919,805 5.058,806 1.443,807 5.953,808 4.848,809 4.533,810 5.185,811 1.598,812 6.862,813 4.505,814 6.304,815 1.372,816 7.568,817 3.171,818 4.205,819 5.156,821 7.972,822 4.169,823 7.649,824 1.158,825 9.29,826 3.087,827 6.201,828 7.545,829 1.407,830 11.176,831 6.146,832 9.039,833 1,834 11.077,835 2.878,836 6.735,837 8.396,839 13.162,840 6.667,841 10.466,842 0.866,843 12.905,844 2.136,845 8.211,846 10.266,847 1.286,848 15.918,849 8.127,850 11.922,851 0.473,852 14.763,853 1.994,854 9.136,855 11.527,857 18.265,858 9.033,859 13.401,860 0.347,861 16.643,862 0.901,863 10.433,864 13.211,865 1.196,866 20.889,867 10.312,868 3.502,869 -0.043,870 18.541,871 0.563,872 11.535,873 14.663,875 23.382,876 11.392,877 2.883,878 13.303,879 20.453,880 -0.097,881 12.777,882 16.283,883 1.124,884 25.971,885 12.615,886 2.654,887 10.057,888 22.376,889 5,890 13.957,891 17.82,893 28.52,894 13.771,895 2.422,896 8.763,897 24.31,898 4.049,899 15.19,900 19.423,901 1.063,902 31.102,903 14.982,904 2.374,905 7.777,906 26.252,907 3.502,908 16.405,909 20.998,911 33.673,912 16.173,913 1.932,914 6.873,915 28.201,916 3.295,917 17.641,918 22.598,919 1.01,920 36.256,921 17.385,922 1.668,923 6.217,924 30.157,925 3.241,926 18.873,927 24.19,929 38.836,930 18.593,931 8311,932 13760,933 21.096,934 34.989,935 48.669,936 50.573,937 51.209,938 48.199,939 48.19,940 66.549,941 4.723,942 145.137,943 47.521,944 5.708,945 5.859,946 7.147,947 5.487,948 5.502,949 8,950 1.96,951 21.009,952 5.43,953 15.08,954 1.521,955 1.58,956 1.6,957 1.506,958 1.506,959 2.08,960 0.148,961 4.536,962 1.485,963 4.237,964 4.258,965 4.216,966 4.17,967 7.503,968 4.178,969 3.901,970 3.932,971 3.83,972 3.844,973 7.355,974 3.837,975 3.79,976 3.817,977 3.738,978 3.709,979 5.005,980 3.712,981 3.519,982 3.552,983 3.467,984 3.308,985 4.871,986 3.308,987 3.454,988 3.496,989 3.345,990 3.257,991 4.748,992 3.303,993 3.314,994 3.391,995 3.121,996 3.128,997 4.602,998 3.12,999 3.118,1000 3.197,1001 2.927,1002 2.919,1003 4.468,1004 2.91,1005 3.016,1006 3.077,1007 2.874,1008 2.874,1009 3.99,1010 2.864,1011 0.154,1012 0.121,1013 0.23,1014 0.14,1015 0.109,1016 4.932,1017 0.156,1018 3.859,1019 0.031,1020 7.345,1021 0.416,1022 4.48,1023 0.107,1024 3.502,1025 5,1026 0.98,1027 13.303,1028 3.43,1029 2.095,1030 2.081,1031 2.155,1032 2.158,1033 1.349,1034 2.157,1035 1.916,1036 1.886,1037 2.041,1038 2.007,1039 1.199,1040 2.019,1041 1.735,1042 1.71,1043 1.894,1044 1.876,1045 1.077,1046 1.876,1047 1.542,1048 1.501,1049 1.694,1050 1.715,1051 0.796,1052 1.707,1053 1.36,1054 1.328,1055 1.568,1056 1.635,1057 0.721,1058 1.614,1059 1.289,1060 1.222,1061 1.561,1062 1.532,1063 0.569,1064 1.55,1065 1.128,1066 1.047,1067 1.43,1068 1.391,1069 0.422,1070 1.418,1071 1.02,1072 0.969,1073 1.237,1074 1.196,1075 0.343,1076 1.209,1077 4.174,1078 5.517,1079 2.398,1080 7.079,1081 4.949,1082 8.747,1083 7.261,1084 10.476,1085 3.546,1087 5.41,1089 1.15,1091 5.652,1094 33.455,1095 74.392,1096 180.881,1097 224.955,1098 252.174,1099 263.784,1100 265.784,1101 55.092,1102 7.874,1103 74.32,1104 74.32,1105 23,1106 13.018,1107 4.585,1108 3.755,1109 43.96,1110 90,1111 102,1112 0.246,1113 204.789,1114 350.05,1115 491.445,1116 25460,1118 20.543,1119 0.708,1120 0.567,1121 20.543,1122 16.437,1123 14.062,1124 0.439,1125 0.299,1126 9.448,1127 13.649,1128 9.164,1129 7.633,1130 14.062,1131 9.552,1132 12.423,1133 0.27,1134 0.151,1135 12.423,1136 6.964,1137 11.024,1138 0.165,1139 0.079,1140 11.024,1141 5.309,1142 9.55,1143 0.097,1144 0.042,1145 9.55,1146 4.076,1147 8.657,1148 0.062,1149 0.022,1150 8.657,1151 3.081,1152 0.361,1153 87.469,1154 0.218,1155 26.325,1156 0.765,1157 156,1158 442.164,1159 166.971,1160 429.708,1161 591.96,1162 402,1163 191,1164 437.184,1165 202.805,1166 447.205,1167 662.92,1168 421,1169 7.097}
{0 CHEMBL515637,1 1.536,2 9.063,3 4.175,4 17.429,5 119.29,6 7.972,7 0.6,8 4.093,9 4.189,10 3.703,11 3.666,12 5.314,13 3.661,14 4.593,15 4.725,16 4.083,17 4.055,18 5.871,19 4.035,20 4.846,21 4.999,22 4.22,23 4.216,24 6.15,25 4.183,26 4.926,27 5.088,28 4.296,29 4.315,30 6.024,31 4.278,32 5.061,33 5.218,34 4.432,35 4.431,36 6.256,37 4.398,38 5.22,39 5.376,40 4.461,41 4.515,42 6.472,43 4.473,44 5.287,45 5.47,46 4.393,47 4.503,48 6.533,49 4.435,50 5.277,51 5.508,52 4.217,53 4.334,54 6.587,55 4.243,56 0.095,57 0.719,58 9.524,59 4.942,60 18.266,61 5.692,62 0.324,63 1.154,64 17.775,65 8.239,66 56.61,67 9.973,68 0.69,69 1.444,70 25.104,71 10.465,72 109.238,73 12.755,74 0.397,75 1.621,76 26.237,77 11.375,78 46.707,79 14.187,80 0.496,81 1.818,82 30.168,83 13.268,84 63.301,85 16.296,86 0.788,87 2.048,88 36.99,89 15.155,90 114.662,91 17.731,92 0.76,93 2.156,94 41.569,95 16.689,96 116.107,97 20.367,98 0.888,99 2.065,100 46.064,101 16.843,102 167.174,103 21.97,104 51,105 50,106 0.25,107 0.616,108 0.752,109 0.834,110 0.869,111 0.875,112 3.504,113 0.875,114 -3.61,115 -3.58,116 -3.41,117 46.3,118 1,119 1,122 2,126 10,127 5,128 1,130 2,132 1,133 2,134 1,135 1,136 1,137 1,138 1,139 15,142 8,143 1,144 1,145 2,147 17,149 2,150 9,152 1,153 2,154 1,155 14,158 1,159 2,160 9,163 1,165 11,166 2,167 1,169 2,170 11,172 1,173 1,175 3,177 18,178 2,180 1,181 1,182 11,183 1,184 1,185 1,186 5,188 23,189 2,190 3,191 1,192 11,193 1,194 1,196 5,198 20,199 3,200 3,202 1,203 12,204 1,206 1,208 7,209 1,211 12,212 3,213 4,214 1,215 1,216 8,217 1,218 2,219 1,220 6,221 1,222 5,223 2,224 3,225 1702,226 21.543,227 21.543,228 21.543,229 21.543,230 21.543,231 18.654,232 19.408,233 12.708,234 21.701,235 17.228,236 17.228,237 17.228,238 17.228,239 17.228,240 12.66,241 21.95,242 5.958,243 17.494,244 4.219,245 1.972,246 1.14,247 0.636,248 0.421,249 0.384,250 4.196,252 1,253 1,254 612,255 4.183,256 53.465,257 219.683,258 99.116,259 117.096,260 1.266,261 43.55,263 1,264 1,265 1,266 0.6,267 0.5,268 1,269 1,270 0.87,271 70,272 290,273 4.932,274 3.859,275 7.345,276 4.481,277 3.503,278 5,279 2.423,280 13.306,281 3.431,282 4.309,283 3.631,284 6.507,285 3.895,286 2.884,287 4.049,288 0.98,289 10.057,290 2.914,291 4.002,292 3.464,293 6.11,294 3.635,295 2.658,296 3.502,297 0.922,298 8.792,299 2.599,300 3.847,301 2.944,302 5.871,303 3.438,304 2.447,305 3.297,306 0.522,307 7.808,308 2.435,309 3.786,310 2.87,311 5.367,312 3.371,313 2.393,314 3.248,316 6.881,317 2.301,318 3.519,319 2.65,320 5.336,321 3.141,322 2.148,323 2.698,324 6.241,325 2.105,326 3.354,327 2.595,328 4.929,329 2.922,330 1.93,331 2.678,332 5.232,333 1.91,334 3.071,335 2.062,336 4.622,337 2.642,338 1.66,339 2.274,340 4.765,341 1.623,342 2.907,343 1.836,344 4.115,345 2.443,346 1.443,347 2.085,348 3.207,349 1.442,350 2.814,351 1.576,352 3.75,353 2.359,354 1.367,355 1.9,356 3.093,357 1.349,358 2.559,359 1.469,360 3.658,361 2.135,362 1.155,363 1.578,364 2.885,365 1.128,366 2.5,367 1.288,368 3.555,369 2,370 1,371 1.5,372 2.136,373 1,374 2.388,375 1.118,376 3.247,377 1.888,378 0.87,379 1.151,380 2.024,381 0.871,382 1.813,383 1,384 3.242,385 1.483,386 0.532,387 0.649,388 1.216,389 0.492,390 1.698,391 0.745,392 2.955,393 1.391,394 0.385,395 0.49,396 0.735,397 0.387,398 14.967,399 0.468,400 0.84,401 0.026,402 43,403 1.344,404 23,405 0.719,406 20,407 0.625,408 27.592,409 0.862,410 33.633,411 0.623,412 38.66,413 1.208,414 8.801,415 0.275,416 6.617,417 0.207,418 0.149,420 0.394,422 0.75,423 1.066,424 0.74,425 0.947,426 0.677,427 0.854,428 0.661,429 1.045,430 0.755,431 0.956,432 0.463,433 0.889,434 0.767,435 0.977,436 0.868,437 0.888,438 0.715,439 0.899,440 0.71,441 1.078,442 0.854,443 1.007,444 0.588,445 0.964,446 0.739,447 1.074,448 0.851,449 1.061,450 0.684,451 0.993,452 1.143,453 1.047,454 1.127,455 1.074,456 1.063,457 1.091,458 1.058,459 1.107,460 1.134,461 1.166,462 1.103,463 1.169,464 0.919,465 1.058,466 0.976,467 1.09,468 0.993,469 1.056,470 5.5,471 0.078,472 3.111,473 2.736,474 2.994,475 1.952,476 1.298,477 1.03,478 0.493,479 0.211,480 11022,481 34522,482 2.045,483 40.7,484 3,485 14,487 3,488 2,490 1.76,491 1.882,492 3.086,493 0.822,495 1,497 82.95,498 1.536,499 3.783,500 4.614,501 5.119,502 5.334,503 5.371,504 2.621,505 4.515,506 4.966,507 3.274,508 1623.89,509 8.777,510 22495.2,511 1,513 310.764,514 1.505,515 4.914,516 0.157,517 0.008,518 0.062,519 0.049,520 0.049,521 0.028,522 0.019,523 0.017,524 0.01,525 0.008,526 0.406,527 0.33,528 1,529 1.335,530 161.679,531 -0.078,532 0.034,533 0.013,534 0.056,535 -0.094,536 0.058,537 0.094,538 0.012,539 0.079,540 0.041,541 0.139,542 0.053,543 0.146,544 0.052,545 0.033,546 0.098,547 0.11,548 0.049,549 0.013,550 -0.018,551 0.017,552 -0.024,553 -0.008,554 -0.007,555 0.06,556 -0.04,557 0.031,558 -0.071,559 0.031,560 -0.034,561 -0.114,562 -0.039,563 -0.201,564 -0.095,565 -0.1,566 -0.151,567 -0.085,568 -0.132,569 -0.17,570 -0.181,571 -0.102,572 -0.193,573 0.059,574 -0.133,575 0.078,576 -0.103,577 0.087,578 -0.025,579 2.812,580 5.971,581 0.594,582 29.613,583 1.013,584 1.115,585 2.376,586 5.646,587 0.683,588 3.584,589 3.932,590 4.263,591 4.635,592 4.997,593 5.215,594 5.442,595 5.631,596 5.714,597 5.68,598 5.725,599 0.665,600 430.49,601 3.584,602 5.142,603 6.019,604 6.934,605 7.852,606 8.787,607 9.724,608 10.67,609 11.617,610 12.569,611 3.7,613 1,614 1,615 4,616 10,617 4,618 1,619 21,620 1,622 1,623 54,624 24,625 3,626 35,627 57,628 25,629 18,630 6,631 10,632 2,633 4,634 7,635 1,637 1,638 21,639 4,641 3,643 3,645 3,648 1,650 22,651 6,652 3,653 7,655 2,656 0.5,657 5,661 1,662 1,663 3,664 1,665 1,667 1,668 1,671 1,673 2,675 1,677 32,678 1,680 1,681 3,683 1,687 9.3,689 1,690 3,692 1,693 17,694 9.983,695 7.111,696 3.236,699 4.299,700 1.533,701 0.985,702 6.085,703 12.364,704 3.902,705 4.562,706 5.24,707 5.958,708 6.65,709 7.161,710 7.728,711 8.265,712 8.677,713 8.978,714 1,715 56,716 11.917,717 5.241,718 8.042,719 22.032,720 18.166,721 2.542,722 81.333,724 1,725 223.651,726 147.803,727 34.796,728 129.118,731 147.803,732 352.769,733 34.796,734 8.825,735 42.13,736 94.762,737 128.866,738 32.232,739 4.901,740 223.651,742 223.651,743 182.599,744 129.118,746 223.651,747 129.118,749 52.854,750 129.745,752 223.651,753 163.914,754 147.803,757 223.651,758 44.215,759 105.487,761 162.015,762 223.651,763 163.914,764 147.803,765 0.578,766 0.339,767 0.196,768 0.128,769 24,770 12,771 0.14,772 8,773 2,774 1.211,775 3.946,776 319.288,777 0.211,778 19,779 156,781 21.753,782 8.951,783 4.061,784 2.794,785 162.015,786 19.029,787 2.048,788 1.997,789 75.581,790 535.368,791 48.5,793 36.117,795 -3.043,797 54.676,798 60.196,799 0.267,800 0.657,801 0.802,802 0.889,803 0.927,804 0.933,805 5.143,806 1.66,807 6.023,808 5.232,809 4.615,810 5.25,811 2.686,812 6.913,813 4.585,814 6.385,815 1.443,816 7.626,817 4.765,818 4.29,819 5.223,820 2.243,821 7.997,822 4.254,823 7.724,824 1.367,825 9.337,826 3.207,827 6.263,828 7.58,829 3.878,830 11.195,831 6.203,832 9.105,833 1.155,834 11.113,835 3.093,836 6.781,837 8.422,838 4.238,839 13.169,840 6.712,841 10.522,842 1,843 12.932,844 2.885,845 8.251,846 10.282,847 5.445,848 15.924,849 8.16,850 11.968,851 0.87,852 14.783,853 2.136,854 9.161,855 11.537,856 6.111,857 18.268,858 9.056,859 13.439,860 0.532,861 16.658,862 2.024,863 10.456,864 13.217,865 7.14,866 20.892,867 10.33,868 3.503,869 0.385,870 18.552,871 1.216,872 11.549,873 14.666,874 7.928,875 23.384,876 11.403,877 2.884,878 13.306,879 20.461,880 0.735,881 12.79,882 16.285,883 8.879,884 25.973,885 12.623,886 2.658,887 10.057,888 22.382,889 5,890 13.966,891 17.822,892 9.719,893 28.522,894 13.777,895 2.447,896 8.792,897 24.314,898 4.049,899 15.198,900 19.424,901 10.635,902 31.105,903 14.986,904 2.393,905 7.808,906 26.255,907 3.502,908 16.411,909 20.998,910 11.499,911 33.676,912 16.176,913 2.148,914 6.881,915 28.204,916 3.297,917 17.646,918 22.599,919 12.399,920 36.259,921 17.388,922 1.93,923 6.241,924 30.159,925 3.248,926 18.877,927 24.19,928 13.274,929 38.839,930 18.596,931 10866,932 19366,933 22.887,934 36.898,935 53.426,936 55.662,937 55.504,938 52.788,939 52.747,940 72.196,941 9.693,942 156.757,943 51.969,944 5.749,945 5.859,946 7.147,947 5.532,948 5.503,949 8,950 4.104,951 21.013,952 5.431,953 17.933,954 1.526,955 1.59,956 1.586,957 1.508,958 1.507,959 2.063,960 0.277,961 4.479,962 1.485,963 4.238,964 4.259,965 4.217,966 4.17,967 7.503,968 4.179,969 3.901,970 3.932,971 3.83,972 3.844,973 7.474,974 3.837,975 3.79,976 3.817,977 3.738,978 3.709,979 7.355,980 3.712,981 3.575,982 3.581,983 3.506,984 3.34,985 6.351,986 3.365,987 3.518,988 3.548,989 3.466,990 3.261,991 4.996,992 3.307,993 3.385,994 3.448,995 3.254,996 3.211,997 4.871,998 3.221,999 3.251,1000 3.302,1001 3.102,1002 3.093,1003 4.747,1004 3.09,1005 3.024,1006 3.083,1007 2.896,1008 2.908,1009 4.56,1010 2.897,1011 0.141,1012 0.11,1013 0.21,1014 0.128,1015 0.1,1016 4.932,1017 0.143,1018 3.859,1019 0.069,1020 7.345,1021 0.38,1022 4.481,1023 0.098,1024 3.503,1025 5,1026 2.423,1027 13.306,1028 3.431,1029 2.095,1030 2.081,1031 2.155,1032 2.158,1033 1.35,1034 2.157,1035 1.916,1036 1.886,1037 2.041,1038 2.007,1039 1.199,1040 2.019,1041 1.735,1042 1.711,1043 1.894,1044 1.877,1045 1.077,1046 1.877,1047 1.547,1048 1.508,1049 1.692,1050 1.737,1051 0.805,1052 1.719,1053 1.4,1054 1.385,1055 1.568,1056 1.698,1057 0.728,1058 1.654,1059 1.338,1060 1.294,1061 1.568,1062 1.57,1063 0.679,1064 1.574,1065 1.238,1066 1.184,1067 1.435,1068 1.463,1069 0.424,1070 1.465,1071 1.024,1072 0.978,1073 1.237,1074 1.205,1075 0.343,1076 1.212,1077 4.263,1078 5.602,1079 2.398,1080 7.148,1081 4.949,1082 8.798,1083 7.261,1084 10.514,1085 1.896,1087 5.397,1088 9.156,1089 0.338,1091 5.605,1094 35.885,1095 82.95,1096 204.286,1097 249.18,1098 276.399,1099 288.009,1100 290.009,1101 74.124,1102 8.065,1103 111.62,1104 111.62,1105 23,1106 13.058,1107 4.644,1108 3.858,1109 50.991,1110 107,1111 120,1112 0.237,1113 219.446,1114 382.29,1115 527.209,1116 32269,1118 22.828,1119 0.713,1120 0.547,1121 22.828,1122 17.5,1123 15.418,1124 0.441,1125 0.292,1126 10.088,1127 14.886,1128 9.854,1129 8.156,1130 15.418,1131 10.214,1132 13.986,1133 0.28,1134 0.149,1135 13.986,1136 7.442,1137 11.615,1138 0.166,1139 0.078,1140 11.615,1141 5.44,1142 9.969,1143 0.098,1144 0.041,1145 9.969,1146 4.169,1147 9.109,1148 0.062,1149 0.021,1150 9.109,1151 3.157,1152 0.35,1153 96.551,1154 0.209,1155 28.702,1156 0.727,1157 170,1158 542.049,1159 186.064,1160 519.254,1161 697.92,1162 482,1163 205,1164 502.76,1165 220.68,1166 508.325,1167 751.29,1168 479,1169 8.155}
{0 CHEMBL517821,1 1.46,2 10.765,3 5.056,4 25.563,5 131.34,6 7.576,7 0.595,8 4.175,9 4.281,10 3.75,11 3.77,12 5.341,13 3.745,14 4.684,15 4.833,16 4.112,17 4.148,18 5.836,19 4.109,20 4.928,21 5.09,22 4.248,23 4.306,24 6.176,25 4.256,26 5.013,27 5.181,28 4.308,29 4.403,30 6.077,31 4.345,32 5.146,33 5.32,34 4.421,35 4.507,36 6.289,37 4.445,38 5.303,39 5.493,40 4.425,41 4.567,42 6.479,43 4.488,44 5.311,45 5.526,46 4.303,47 4.521,48 6.423,49 4.425,50 5.24,51 5.477,52 4.204,53 4.42,54 6.364,55 4.308,56 0.026,57 0.786,58 11.332,59 5.588,60 11.711,61 6.933,62 0.148,63 1.263,64 21.001,65 9.423,66 33.216,67 11.982,68 0.565,69 1.562,70 28.661,71 11.748,72 99.156,73 14.84,74 0.267,75 1.733,76 30.524,77 13.07,78 40.743,79 16.677,80 0.378,81 2.001,82 35.043,83 14.745,84 55.314,85 19.086,86 0.646,87 2.259,88 43.53,89 17.046,90 105.704,91 21.807,92 0.571,93 2.268,94 45.541,95 17.099,96 109.592,97 22.084,98 0.46,99 2.077,100 43.244,101 16.944,102 108.337,103 22.82,104 51,105 52,106 0.233,107 0.577,108 0.751,109 0.835,110 0.867,111 0.875,112 3.561,113 0.905,114 -3.7,115 -3.66,116 -3.49,117 46.7,118 2,119 2,122 1,126 11,127 5,128 1,129 1,130 2,131 1,132 1,133 1,134 1,135 1,136 1,139 18,142 7,144 1,145 1,147 21,149 3,150 8,152 1,153 1,154 1,155 22,158 1,159 1,160 6,163 1,165 22,167 1,169 2,170 10,172 1,173 1,175 1,177 23,180 1,181 2,182 13,184 1,185 1,186 3,188 23,190 3,192 9,196 2,198 18,200 2,202 1,203 12,208 2,211 16,213 2,215 1,216 12,217 1,218 1,220 4,222 11,224 4,225 2092,226 22.957,227 22.957,228 22.957,229 22.957,230 22.957,231 19.905,232 18.629,233 13.598,234 23.066,235 18.199,236 18.199,237 18.199,238 18.199,239 18.199,240 13.462,241 19.506,242 6.331,243 18.384,244 4.447,245 2.293,246 1.199,247 0.677,248 0.471,249 0.425,250 4.254,253 1,254 774,255 4.183,256 71.023,257 286.214,258 136.718,260 1.498,261 38.798,263 1,264 0.83,265 0.83,266 0.6,267 0.5,268 1,269 1,270 0.82,271 73,272 366,273 4.85,274 3.857,275 7.25,276 4.418,277 3.442,278 4.819,279 2.274,280 12.909,281 3.367,282 4.371,283 3.598,284 6.511,285 4.014,286 3.014,287 4.029,288 0.98,289 10.228,290 3.014,291 4.04,292 3.433,293 6.173,294 3.677,295 2.666,296 3.46,297 0.91,298 8.75,299 2.682,300 3.879,301 3.102,302 6.067,303 3.513,304 2.546,305 3.33,306 0.68,307 8.594,308 2.455,309 3.65,310 2.844,311 5.345,312 3.236,313 2.225,314 3.156,316 6.363,317 2.257,318 3.529,319 2.792,320 5.227,321 3.189,322 2.166,323 2.717,324 6.048,325 2.198,326 3.375,327 2.35,328 4.893,329 2.93,330 1.954,331 2.656,332 5.257,333 1.897,334 3.009,335 2.154,336 4.586,337 2.602,338 1.628,339 2.198,340 4.63,341 1.576,342 2.971,343 1.891,344 4.151,345 2.521,346 1.524,347 2.164,348 3.681,349 1.516,350 2.882,351 1.585,352 3.808,353 2.45,354 1.451,355 2.039,356 3.108,357 1.449,358 2.715,359 1.493,360 3.732,361 2.239,362 1.248,363 1.739,364 2.866,365 1.23,366 2.5,367 1.435,368 3.607,369 2,370 1,371 1.5,372 2.396,373 1,374 2.5,375 1.172,376 3.436,377 2,378 1,379 1.5,380 2.136,381 1,382 2.365,383 1,384 3.247,385 1.914,386 0.888,387 1.148,388 2.055,389 0.901,390 1.862,391 1,392 3.165,393 1.567,394 0.617,395 0.731,396 1.399,397 0.573,398 16.133,399 0.475,400 0.84,401 0.025,402 45.75,403 1.346,404 25,405 0.735,406 20.75,407 0.61,408 30.392,409 0.894,410 35.467,411 0.591,412 40.455,413 1.19,414 9.28,415 0.273,416 7.138,417 0.21,418 0.149,420 0.366,422 0.672,423 1.089,424 0.767,425 0.985,426 0.602,427 0.901,428 0.746,429 1.063,430 0.783,431 0.981,432 0.546,433 0.904,434 0.903,435 0.916,436 0.916,437 0.894,438 0.865,439 0.906,440 0.886,441 1.077,442 0.934,443 1.032,444 0.675,445 0.998,446 0.762,447 1.112,448 0.941,449 1.089,450 0.737,451 1.048,452 1.082,453 1.076,454 1.095,455 1.06,456 1.084,457 1.077,458 1.217,459 0.968,460 1.144,461 0.988,462 1.182,463 1.036,464 0.792,465 0.987,466 0.922,467 1.018,468 0.83,469 0.995,470 5.5,471 0.194,472 3.778,473 2.986,474 2.367,475 1.73,476 1.114,477 0.928,478 0.548,479 0.302,480 13926,481 39149,482 2.042,483 43.3,484 5,485 13,486 1,487 2,488 5,490 1.77,491 1.889,492 3.366,493 0.118,497 87.596,498 1.46,499 3.614,500 4.708,501 5.23,502 5.436,503 5.482,504 2.836,505 4.735,506 5.056,507 3.521,508 1975.5,509 8.93,510 28771.4,511 1,513 354.413,514 1.484,515 5.006,516 0.149,517 0.007,518 0.073,519 0.051,520 0.038,521 0.025,522 0.017,523 0.016,524 0.011,525 0.007,526 0.394,527 0.33,528 1,529 1.29,530 177.568,531 -0.034,532 0.005,533 0.032,534 0.021,535 -0.068,536 0.037,537 0.037,538 -0.023,539 0.093,540 0.02,541 0.06,542 0.056,543 0.146,544 0.105,545 0.019,546 0.092,547 0.107,548 0.042,549 -0.029,550 -0.053,551 -0.025,552 -0.039,553 -0.027,554 -0.034,555 0.08,556 -0.074,557 -0.026,558 -0.107,559 0.03,560 -0.088,561 -0.019,562 -0.071,563 -0.126,564 -0.085,565 -0.057,566 -0.119,567 -0.169,568 0.033,569 -0.15,570 -0.019,571 -0.138,572 -0.067,573 0.062,574 -0.035,575 0.076,576 -0.024,577 0.081,578 0.022,579 2.695,580 5.972,581 0.618,582 32.824,583 1.002,584 1.114,585 2.465,586 6.077,587 0.683,588 3.638,589 3.97,590 4.29,591 4.625,592 4.927,593 5.063,594 5.226,595 5.371,596 5.451,597 5.485,598 6.46,599 0.654,600 454.56,601 3.638,602 5.187,603 6.057,604 6.959,605 7.863,606 8.78,607 9.698,608 10.624,609 11.55,610 12.48,611 3.3,613 1,614 1,615 1,616 12,617 7,619 22,620 1,622 1,623 60,624 25,625 2,626 37,627 63,628 28,629 20,630 3,631 9,632 2,633 4,634 5,635 2,637 2,638 23,639 5,641 3,643 3,645 3,650 26,651 5,652 2,653 6,655 2,656 0.75,657 4,660 1,661 1,662 1,663 3,664 1,666 1,667 1,673 3,675 2,677 34,678 1,681 3,683 1,687 6.7,690 3,692 1,693 18,694 11.45,695 7.611,696 3.667,699 4.541,700 1.561,701 0.993,702 6.948,703 12.638,704 3.951,705 4.577,706 5.218,707 5.874,708 6.481,709 6.843,710 7.304,711 7.745,712 8.059,713 8.389,714 1,715 58,716 12.64,717 5.442,718 7.892,719 23.745,720 19.405,721 2.392,722 81.333,725 282.506,726 181.642,727 34.184,728 86.435,731 181.642,732 368.941,733 34.184,734 17.65,735 42.559,736 113.286,737 90.406,738 33.458,739 16.672,740 270.735,742 282.506,743 215.825,744 86.435,746 282.506,747 86.435,749 61.496,750 154.33,752 282.506,753 120.618,754 181.642,757 282.506,758 50.705,759 132.223,761 119.332,762 282.506,763 120.618,764 181.642,765 0.576,766 0.342,767 0.197,768 0.121,769 24,770 12,771 0.143,772 9,773 1,774 1.095,775 4.165,776 337.032,777 0.095,778 21,779 166.219,781 23.469,782 10.066,783 4.691,784 0.455,785 119.332,786 23.548,787 5.476,789 32.897,790 584.767,791 51,793 36.486,795 -1.945,797 60.116,798 66.817,799 0.247,800 0.612,801 0.797,802 0.885,803 0.92,804 0.928,805 5.185,806 1.628,807 6.052,808 5.257,809 4.654,810 5.265,811 2.635,812 6.923,813 4.634,814 6.412,815 1.524,816 7.645,817 4.63,818 4.29,819 5.147,820 2.036,821 7.982,822 4.275,823 7.738,824 1.451,825 9.348,826 3.681,827 6.286,828 7.531,829 3.675,830 11.16,831 6.24,832 9.105,833 1.248,834 11.117,835 3.108,836 6.781,837 8.288,838 3.889,839 13.106,840 6.731,841 10.51,842 1,843 12.929,844 2.866,845 8.257,846 10.153,847 5.094,848 15.827,849 8.181,850 11.942,851 1,852 14.772,853 2.396,854 9.146,855 11.333,856 5.641,857 18.132,858 9.056,859 13.398,860 0.888,861 16.637,862 2.136,863 10.434,864 12.999,865 6.649,866 20.718,867 10.321,868 3.442,869 0.617,870 18.52,871 2.055,872 11.504,873 14.384,874 7.337,875 23.168,876 11.371,877 3.014,878 12.909,879 20.417,880 1.399,881 12.73,882 15.977,883 8.253,884 25.72,885 12.574,886 2.666,887 10.228,888 22.324,889 4.819,890 13.881,891 17.458,892 9.007,893 28.229,894 13.701,895 2.546,896 8.75,897 24.242,898 4.029,899 15.092,900 19.026,901 9.877,902 30.775,903 14.889,904 2.225,905 8.594,906 26.167,907 3.46,908 16.28,909 20.553,910 10.664,911 33.31,912 16.052,913 2.166,914 6.363,915 28.099,916 3.33,917 17.492,918 22.115,919 11.51,920 35.858,921 17.239,922 1.954,923 6.048,924 30.037,925 3.156,926 18.698,927 23.663,928 12.313,929 38.404,930 18.42,931 13640,932 23009,933 24.274,934 40.966,935 56.223,936 58.271,937 58.205,938 55.471,939 55.475,940 75.305,941 9.687,942 162.235,943 54.969,944 5.668,945 5.857,946 7.052,947 5.467,948 5.442,949 7.819,950 3.914,951 20.552,952 5.367,953 18.909,954 1.52,955 1.575,956 1.573,957 1.499,958 1.499,959 2.035,960 0.262,961 4.385,962 1.486,963 4.188,964 4.217,965 4.162,966 4.087,967 7.503,968 4.101,969 3.984,970 4.008,971 3.932,972 3.935,973 7.428,974 3.933,975 3.747,976 3.781,977 3.665,978 3.687,979 7.355,980 3.677,981 3.652,982 3.676,983 3.582,984 3.493,985 4.963,986 3.501,987 3.585,988 3.616,989 3.514,990 3.399,991 4.869,992 3.412,993 3.49,994 3.539,995 3.371,996 3.277,997 4.821,998 3.309,999 3.26,1000 3.33,1001 3.083,1002 3.115,1003 4.611,1004 3.096,1005 3.061,1006 3.119,1007 2.94,1008 2.892,1009 4.429,1010 2.895,1011 0.131,1012 0.104,1013 0.196,1014 0.119,1015 0.093,1016 4.85,1017 0.13,1018 3.857,1019 0.061,1020 7.25,1021 0.349,1022 4.418,1023 0.091,1024 3.442,1025 4.819,1026 2.274,1027 12.909,1028 3.367,1029 2.012,1030 1.989,1031 2.108,1032 2.097,1033 1.287,1034 2.095,1035 1.913,1036 1.887,1037 1.991,1038 2.038,1039 1.144,1040 2.032,1041 1.794,1042 1.766,1043 1.935,1044 1.893,1045 1.116,1046 1.905,1047 1.705,1048 1.673,1049 1.875,1050 1.821,1051 0.967,1052 1.837,1053 1.546,1054 1.509,1055 1.781,1056 1.778,1057 0.87,1058 1.774,1059 1.393,1060 1.358,1061 1.587,1062 1.67,1063 0.734,1064 1.644,1065 1.272,1066 1.206,1067 1.496,1068 1.46,1069 0.516,1070 1.487,1071 1.02,1072 0.968,1073 1.335,1074 1.264,1075 0.46,1076 1.289,1077 4.317,1078 5.645,1079 2.398,1080 7.179,1081 4.949,1082 8.811,1083 7.248,1084 10.501,1085 3.367,1087 5.424,1089 0.908,1091 5.733,1094 39.224,1095 87.596,1096 216.811,1097 282.485,1098 313.784,1099 326.149,1100 328.904,1101 78.262,1102 8.097,1103 90.87,1104 90.87,1105 23,1106 12.983,1107 4.7,1108 3.907,1109 56.262,1110 128,1111 140,1112 0.213,1113 241.3,1114 422.76,1115 580.532,1116 36877,1118 24.242,1119 0.713,1120 0.565,1121 24.242,1122 19.207,1123 16.418,1124 0.444,1125 0.302,1126 11.055,1127 15.951,1128 10.723,1129 8.927,1130 16.418,1131 11.164,1132 14.662,1133 0.282,1134 0.156,1135 14.662,1136 8.129,1137 12.233,1138 0.17,1139 0.081,1140 12.233,1141 5.83,1142 10.393,1143 0.103,1144 0.043,1145 10.393,1146 4.38,1147 9.179,1148 0.067,1149 0.023,1150 9.179,1151 3.206,1152 0.323,1153 101.974,1154 0.203,1155 30.583,1156 0.625,1157 178,1158 527.899,1159 191.739,1160 510.662,1161 692.86,1162 476,1163 213,1164 503.082,1165 227.13,1166 511.238,1167 751.43,1168 482,1169 5.886}