@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5361

@attribute molecule_id {CHEMBL148649,CHEMBL148674,CHEMBL332993,CHEMBL446349,CHEMBL478820,CHEMBL478821,CHEMBL479251,CHEMBL504813,CHEMBL506485,CHEMBL514692,CHEMBL514705,CHEMBL514841,CHEMBL515637,CHEMBL517821}
@attribute GATS8i numeric
@attribute MATS7e numeric
@attribute GATS8m numeric
@attribute X5A numeric
@attribute GATS8p numeric
@attribute MATS1v numeric
@attribute MATS8p numeric
@attribute GATS4p numeric
@attribute MATS8v numeric
@attribute GATS1v numeric
@attribute GATS5i numeric
@attribute GATS5p numeric
@attribute MATS2i numeric
@attribute MATS5i numeric
@attribute MATS8m numeric
@attribute SaaaC numeric
@attribute SaasN numeric
@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.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.033 numeric
@attribute C.038 numeric
@attribute C.040 numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AN numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AN numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AN numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DN numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_08_PN numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_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 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 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.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 GATS1e numeric
@attribute GATS1i numeric
@attribute GATS1m numeric
@attribute GATS1p numeric
@attribute GATS1s 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 GATS4s numeric
@attribute GATS4v numeric
@attribute GATS5e numeric
@attribute GATS5m 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 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 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_02 numeric
@attribute LOC numeric
@attribute LPRS numeric
@attribute MATS1e numeric
@attribute MATS1i numeric
@attribute MATS1m numeric
@attribute MATS1p numeric
@attribute MATS1s numeric
@attribute MATS2e 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 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 MATS7i numeric
@attribute MATS7m numeric
@attribute MATS7p numeric
@attribute MATS7s numeric
@attribute MATS7v numeric
@attribute MATS8e numeric
@attribute MATS8i numeric
@attribute MATS8s 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.072 numeric
@attribute NaaaC numeric
@attribute NaaCH numeric
@attribute NaasC numeric
@attribute NaasN numeric
@attribute nAB numeric
@attribute nAT numeric
@attribute nBM numeric
@attribute nBnz numeric
@attribute nBO numeric
@attribute nBT numeric
@attribute nC numeric
@attribute nCar numeric
@attribute nCb. numeric
@attribute nCbH numeric
@attribute nCIC numeric
@attribute nCIR numeric
@attribute nCp numeric
@attribute nCs numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nCt numeric
@attribute nDB numeric
@attribute NddssS numeric
@attribute NdO numeric
@attribute NdssC numeric
@attribute Neoplastic.50 numeric
@attribute Neoplastic.80 numeric
@attribute nH numeric
@attribute nHAcc numeric
@attribute nHDon numeric
@attribute nHet numeric
@attribute nHM numeric
@attribute nN numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nPyridines numeric
@attribute nR06 numeric
@attribute nR10 numeric
@attribute nRCO numeric
@attribute nRCOOH numeric
@attribute nROH numeric
@attribute NRS numeric
@attribute nS numeric
@attribute NsCH3 numeric
@attribute nSK numeric
@attribute nSO2N numeric
@attribute NsOH numeric
@attribute NssCH2 numeric
@attribute NssNH numeric
@attribute NsssCH numeric
@attribute O. numeric
@attribute O.057 numeric
@attribute O.058 numeric
@attribute ON0 numeric
@attribute ON0V numeric
@attribute ON1 numeric
@attribute ON1V numeric
@attribute PCD numeric
@attribute PCR numeric
@attribute PDI numeric
@attribute PHI numeric
@attribute piID numeric
@attribute piPC01 numeric
@attribute piPC02 numeric
@attribute piPC03 numeric
@attribute piPC04 numeric
@attribute piPC05 numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute PJI2 numeric
@attribute Pol numeric
@attribute Psi_e_0 numeric
@attribute Psi_e_1 numeric
@attribute Psi_e_A numeric
@attribute Psi_i_0 numeric
@attribute Psi_i_1 numeric
@attribute Psi_i_A numeric
@attribute Psi_i_s numeric
@attribute Psychotic.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_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_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_5 numeric
@attribute P_VSA_MR_6 numeric
@attribute P_VSA_MR_7 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_s_1 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_s_3 numeric
@attribute P_VSA_s_4 numeric
@attribute P_VSA_s_5 numeric
@attribute P_VSA_s_6 numeric
@attribute P_VSA_v_1 numeric
@attribute P_VSA_v_2 numeric
@attribute P_VSA_v_3 numeric
@attribute PW2 numeric
@attribute PW3 numeric
@attribute PW4 numeric
@attribute PW5 numeric
@attribute Qindex numeric
@attribute Ram numeric
@attribute RBF numeric
@attribute RBN numeric
@attribute Rbrid numeric
@attribute RCI numeric
@attribute RDCHI numeric
@attribute RDSQ numeric
@attribute RFD numeric
@attribute Rperim numeric
@attribute pXC50 numeric

@data
{1 1.016,2 -0.117,3 0.961,4 0.065,5 1.043,6 0.044,7 -0.077,8 0.997,9 -0.009,10 0.918,11 1.124,12 1.13,13 -0.039,14 -0.08,15 0.081,16 1.072,17 1.944,18 1.558,19 9.138,20 3.644,21 13.278,22 107.258,23 7.735,24 0.516,25 4.024,26 4.126,27 3.599,28 3.558,29 5.242,30 3.553,31 4.529,32 4.675,33 3.979,34 3.929,35 5.806,36 3.911,37 4.789,38 4.95,39 4.116,40 4.075,41 6.126,42 4.051,43 4.856,44 5.018,45 4.144,46 4.174,47 6.013,48 4.138,49 4.961,50 5.129,51 4.262,52 4.287,53 6.17,54 4.241,55 5.122,56 5.297,57 4.27,58 4.339,59 6.391,60 4.285,61 5.139,62 5.346,63 4.103,64 4.247,65 6.362,66 4.166,67 5.027,68 5.27,69 3.886,70 4.022,71 6.318,72 3.921,73 0.098,74 0.692,75 9.633,76 4.729,77 18.422,78 5.647,79 0.319,80 1.089,81 17.946,82 7.753,83 59.287,84 9.777,85 0.74,86 1.331,87 25.467,88 9.57,89 107.007,90 11.988,91 0.533,92 1.465,93 26.38,94 10.363,95 70.239,96 12.882,97 0.478,98 1.633,99 28.911,100 12.259,101 62.256,102 15.656,103 0.771,104 1.82,105 35.984,106 13.611,107 115.341,108 16.999,109 0.818,110 1.793,111 38.76,112 13.576,113 120.256,114 17.506,115 0.815,116 1.52,117 37.138,118 12.493,119 156.898,120 16.946,121 64,122 44,123 0.26,124 0.636,125 0.764,126 0.849,127 0.869,128 0.869,129 3.409,130 0.896,131 -3.12,132 -3.11,133 -2.99,134 43.1,135 2,136 1,139 1,140 1,141 8,142 3,143 1,146 2,147 1,148 1,149 10,151 9,152 1,153 2,154 10,155 1,156 2,157 9,158 2,159 2,160 8,161 2,162 6,163 1,164 9,165 2,166 2,167 8,169 3,170 15,171 2,172 1,173 10,174 1,175 1,176 5,177 16,178 1,179 1,180 8,181 1,182 1,183 3,184 11,185 1,186 2,187 1,188 8,189 1,190 1,191 4,192 1,193 6,194 2,195 3,196 1,197 1,198 6,199 1,200 2,201 1,202 4,203 1,204 3,205 2,206 2,207 1342,208 19.181,209 19.181,210 19.181,211 19.181,212 19.181,213 16.842,214 20.214,215 11.19,216 19.356,217 15.192,218 15.192,219 15.192,220 15.192,221 15.192,222 11.498,223 22.996,224 5.172,225 15.488,226 4.114,227 1.859,228 1.088,229 0.579,230 0.461,231 0.461,232 4.084,234 1,235 546,236 4.301,237 61.715,238 164.666,239 118.845,241 1.403,242 42.718,243 1,244 1,245 1,246 0.8,247 0.5,248 1,249 1,250 0.9,251 64,252 265,253 4.85,254 3.857,255 7.25,256 4.419,257 3.442,258 4.819,259 2.423,260 12.911,261 3.372,262 4.051,263 3.773,264 6.184,265 3.715,266 2.74,267 3.495,268 0.98,269 8.823,270 2.718,271 3.994,272 3.405,273 6.113,274 3.669,275 2.683,276 3.463,277 0.922,278 8.788,279 2.58,280 3.842,281 2.908,282 5.727,283 3.501,284 2.506,285 3.261,286 0.522,287 7.387,288 2.479,289 3.704,290 2.841,291 5.372,292 3.309,293 2.329,294 2.954,295 6.82,296 2.268,297 3.375,298 2.606,299 5.271,300 2.944,301 1.955,302 2.671,303 5.984,304 1.922,305 2.997,306 2.242,307 4.819,308 2.583,309 1.608,310 2.168,311 4.711,312 1.559,313 2.883,314 1.991,315 3.849,316 2.453,317 1.454,318 2.043,319 3.18,320 1.451,321 2.723,322 1.631,323 3.774,324 2.253,325 1.265,326 1.75,327 2.863,328 1.241,329 2.5,330 1.525,331 3.577,332 2.007,333 1.015,334 1.5,335 2.354,336 1,337 2.43,338 1.252,339 3.483,340 2,341 1,342 1.261,343 2.136,344 0.982,345 2.248,346 1,347 3.247,348 1.86,349 0.861,350 1.08,351 2,352 0.851,353 1.749,354 0.839,355 3,356 1.458,357 0.417,358 0.54,359 0.81,360 0.429,361 1.217,362 0.498,363 2.697,364 0.957,365 -0.008,366 -0.01,367 -0.017,368 -0.008,369 1.073,370 0.239,371 2.533,372 0.719,373 -0.239,374 -0.297,375 -0.598,376 -0.227,377 13.467,378 0.464,379 0.827,380 0.029,381 37,382 1.276,383 19,384 0.655,385 18,386 0.621,387 25.451,388 0.878,389 31.533,390 0.618,391 32.575,392 1.123,393 7.533,394 0.26,395 6.313,396 0.218,397 0.203,399 0.401,400 0.762,401 1.159,402 0.772,403 1.029,404 0.693,405 0.646,406 1.128,407 0.731,408 1.026,409 0.46,410 0.918,411 0.899,412 0.98,413 0.879,414 0.892,415 0.711,416 0.882,417 1,418 1.039,419 1.009,420 0.91,421 0.999,422 0.675,423 0.86,424 0.697,425 1.055,426 1.08,427 1.114,428 1.111,429 1.119,430 1.078,431 1.122,432 1.123,433 1.052,434 1.178,435 1.113,436 1.156,437 1.147,438 0.915,439 0.979,440 1.021,441 5.5,442 0.095,443 3.333,444 2.611,445 2.384,446 1.591,447 1.056,448 0.82,449 0.374,450 0.166,451 8430,452 27132,453 1.973,454 43.1,455 3,456 11,458 3,459 2,460 3,461 1.732,462 1.794,463 3.145,464 0.891,466 1,467 79.469,468 1.558,469 3.813,470 4.584,471 5.094,472 5.211,473 5.211,474 2.682,475 4.582,476 4.824,477 3.307,478 1342.61,479 8.474,480 17482.9,481 1,482 1,483 289.294,484 1.556,485 4.756,486 0.177,487 0.009,488 0.076,489 0.053,490 0.047,491 0.028,492 0.019,493 0.019,494 0.011,495 0.008,496 0.446,497 1,498 1.435,499 143.087,500 -0.08,501 0.003,502 0.009,503 0.034,504 -0.101,505 0.118,506 0.13,507 0.005,508 0.152,509 0.058,510 0.123,511 0.059,512 0.058,513 0.102,514 0.137,515 0.071,516 -0.094,517 0.03,518 -0.104,519 0.003,520 -0.107,521 -0.044,522 0.081,523 0.027,524 -0.105,525 0.035,526 -0.062,527 -0.086,528 -0.104,529 -0.166,530 -0.128,531 -0.09,532 -0.159,533 -0.072,534 -0.19,535 -0.148,536 -0.135,537 -0.177,538 0.066,539 -0.116,540 0.093,541 2.802,542 5.716,543 0.517,544 26.285,545 1.013,546 1.121,547 1.886,548 3.558,549 0.665,550 3.466,551 3.807,552 4.111,553 4.419,554 4.727,555 4.875,556 5.017,557 5.136,558 5.13,559 5.069,560 5.68,561 0.645,562 394.46,563 3.466,564 5.017,565 5.883,566 6.786,567 7.689,568 8.608,569 9.528,570 10.455,571 11.384,572 12.317,573 3.9,574 1,575 2,576 8,577 4,578 1,579 16,580 51,581 19,582 2,583 31,584 53,585 22,586 14,587 4,588 8,589 3,590 4,591 2,592 2,593 17,594 5,596 3,598 3,599 3,601 1,602 22,603 6,604 3,605 7,607 2,608 0.667,609 5,611 2,614 1,615 1,616 2,618 2,619 29,621 1,622 2,624 1,625 9.8,626 1,627 3,628 16.167,629 9.65,630 6.5,631 3.097,632 3.175,633 1.428,634 0.949,635 6.161,636 10.598,637 3.761,638 4.379,639 5.003,640 5.641,641 6.248,642 6.631,643 7.07,644 7.501,645 7.746,646 8.003,647 1,648 49,649 10.81,650 4.712,651 8.115,652 19.825,653 16.048,654 2.615,655 75.833,656 1,657 1,658 223.651,659 127.937,660 34.796,661 129.118,663 127.937,664 352.769,665 34.796,666 17.65,667 37.537,668 75.81,669 128.866,670 27.087,671 4.901,672 223.651,673 223.651,674 162.733,675 129.118,677 188.338,678 164.431,679 57.087,680 105.646,682 223.651,683 163.914,684 127.937,686 223.651,687 34.477,688 95.359,690 162.015,691 223.651,692 163.914,693 127.937,694 0.582,695 0.349,696 0.186,697 0.116,698 20,699 11,700 0.151,701 8,702 1,703 1.133,704 3.72,705 264.874,706 0.133,707 15,708 6.328}
{0 CHEMBL148674,1 0.931,2 -0.126,3 0.902,4 0.066,5 0.969,6 0.047,7 -0.004,8 1.038,9 0.087,10 0.892,11 1.134,12 1.144,13 -0.026,14 -0.1,15 0.174,16 1.077,17 1.939,18 1.579,19 9.071,20 3.266,21 10.669,22 102.84,23 7.926,24 0.533,25 3.971,26 4.069,27 3.567,28 3.507,29 5.209,30 3.508,31 4.466,32 4.604,33 3.931,34 3.874,35 5.773,36 3.86,37 4.707,38 4.864,39 4.049,40 4.017,41 6.053,42 3.991,43 4.771,44 4.937,45 4.098,46 4.116,47 5.89,48 4.079,49 4.899,50 5.064,51 4.214,52 4.219,53 6.129,54 4.179,55 5.051,56 5.224,57 4.202,58 4.253,59 6.348,60 4.206,61 5.049,62 5.252,63 4.014,64 4.143,65 6.3,66 4.066,67 4.921,68 5.175,69 3.766,70 3.883,71 6.214,72 3.784,73 0.111,74 0.652,75 8.674,76 4.38,77 19.235,78 5.081,79 0.347,80 1.022,81 16.216,82 7.15,83 57.181,84 8.773,85 0.719,86 1.243,87 22.629,88 8.817,89 109.296,90 10.891,91 0.436,92 1.376,93 23.149,94 9.647,95 48.575,96 12.131,97 0.503,98 1.531,99 26.457,100 11.359,101 62.845,102 14.241,103 0.816,104 1.684,105 33.069,106 12.47,107 114.91,108 15.152,109 0.845,110 1.621,111 35.278,112 12.441,113 124.044,114 15.634,115 0.823,116 1.361,117 34.284,118 11.245,119 150.05,120 15.376,121 51,122 42,123 0.266,124 0.649,125 0.777,126 0.848,127 0.869,128 0.869,129 3.376,130 0.88,131 -2.9,132 -2.9,133 -2.81,134 43.8,135 1,136 1,139 2,141 8,142 3,143 1,146 2,147 1,148 1,149 10,151 8,152 1,153 2,154 10,156 2,157 8,158 2,159 1,160 8,161 2,162 6,163 1,164 7,165 2,166 2,167 8,169 3,170 13,171 2,172 1,173 9,174 1,175 1,176 5,177 15,178 1,179 1,180 7,181 1,182 1,183 3,184 10,185 1,186 2,187 1,188 7,189 1,190 1,191 3,192 1,193 4,194 2,195 2,196 1,197 1,198 6,199 1,200 2,201 1,202 4,203 1,204 1,205 2,206 2,207 1210,208 18.681,209 18.681,210 18.681,211 18.681,212 18.681,213 16.317,214 19.408,215 11.057,216 18.843,217 14.734,218 14.734,219 14.734,220 14.734,221 14.734,222 11.002,223 21.95,224 5.143,225 15.008,226 4.006,227 1.735,228 0.974,229 0.557,230 0.432,231 0.432,232 4.053,233 1,234 1,235 525,236 4.062,237 59.081,238 157.668,239 113.681,241 1.372,242 40.756,243 1,244 1,245 1,246 0.6,247 0.5,248 1,249 1,250 0.87,251 62,252 254,253 4.849,254 3.855,255 7.249,256 4.418,257 3.44,258 4.818,259 2.423,260 12.907,261 3.371,262 4.048,263 3.63,264 6.183,265 3.701,266 2.685,267 3.493,268 0.98,269 8.815,270 2.714,271 3.966,272 3.405,273 6.083,274 3.583,275 2.618,276 3.46,277 0.922,278 8.657,279 2.538,280 3.776,281 2.89,282 5.373,283 3.363,284 2.385,285 3.246,286 0.522,287 6.852,288 2.312,289 3.529,290 2.837,291 5.283,292 3.164,293 2.173,294 2.717,295 6.053,296 2.124,297 3.374,298 2.593,299 4.884,300 2.943,301 1.952,302 2.655,303 5.25,304 1.921,305 2.995,306 2.156,307 4.585,308 2.582,309 1.607,310 2.167,311 4.604,312 1.558,313 2.883,314 1.839,315 3.848,316 2.453,317 1.454,318 2.043,319 3.179,320 1.451,321 2.716,322 1.535,323 3.764,324 2.241,325 1.249,326 1.74,327 2.842,328 1.232,329 2.5,330 1.434,331 3.528,332 2,333 1,334 1.5,335 2.136,336 1,337 2.363,338 1.147,339 3.247,340 1.904,341 0.887,342 1.145,343 2.045,344 0.89,345 1.856,346 1,347 3.148,348 1.561,349 0.615,350 0.726,351 1.389,352 0.567,353 1.665,354 0.831,355 2.87,356 1.35,357 0.347,358 0.439,359 0.645,360 0.346,361 1.185,362 0.498,363 2.67,364 0.903,365 -0.073,366 -0.089,367 -0.162,368 -0.071,369 0.915,370 0.223,371 2.406,372 0.51,373 -0.458,374 -0.579,375 -1.085,376 -0.434,377 12.967,378 0.463,379 0.737,380 0.026,381 36.5,382 1.304,383 19,384 0.679,385 17.5,386 0.625,387 22.862,388 0.816,389 30.233,390 0.63,391 31.444,392 1.123,393 7.579,394 0.271,395 5.855,396 0.209,397 0.172,399 0.378,400 0.767,401 1.143,402 0.752,403 1.007,404 0.686,405 0.676,406 1.109,407 0.759,408 1.004,409 0.47,410 0.918,411 0.804,412 0.983,413 0.89,414 0.897,415 0.738,416 0.91,417 0.742,418 1.078,419 0.897,420 0.618,421 1.005,422 0.686,423 0.869,424 0.706,425 1.069,426 1.115,427 1.084,428 1.138,429 1.108,430 1.105,431 1.123,432 1.15,433 1.043,434 1.192,435 1.109,436 1.213,437 1.152,438 0.858,439 0.897,440 0.951,441 5,442 0.078,443 2.889,444 2.486,445 2.304,446 1.563,447 0.838,448 0.727,449 0.325,450 0.126,451 7779,452 26029,453 1.993,454 41.7,455 3,456 12,458 3,459 2,461 1.722,462 1.826,463 3.123,464 0.917,465 1,466 1,467 75.791,468 1.579,469 3.85,470 4.611,471 5.028,472 5.153,473 5.153,474 2.67,475 4.352,476 4.772,477 3.293,478 1244.92,479 8.37,480 15843.5,481 1,482 1,483 268.078,484 1.531,485 4.714,486 0.167,487 0.009,488 0.069,489 0.054,490 0.047,491 0.029,492 0.016,493 0.018,494 0.011,495 0.006,496 0.426,497 1,498 1.437,499 136.697,500 -0.088,501 0.005,502 0.006,503 0.038,504 -0.098,505 0.091,506 0.086,507 0.015,508 0.143,509 0.042,510 0.134,511 0.059,512 0.023,513 0.097,514 0.111,515 0.043,516 -0.006,517 -0.006,518 -0.024,519 -0.035,520 -0.016,521 -0.034,522 0.076,523 0.014,524 -0.129,525 0.033,526 -0.085,527 -0.105,528 -0.084,529 -0.188,530 -0.126,531 -0.101,532 -0.167,533 -0.084,534 -0.19,535 -0.141,536 -0.16,537 -0.174,538 0.095,539 -0.045,540 0.115,541 2.806,542 5.635,543 0.536,544 25.444,545 1.017,546 1.12,547 1.667,548 2.78,549 0.67,550 3.434,551 3.761,552 4.06,553 4.394,554 4.7,555 4.836,556 4.963,557 5.069,558 5.075,559 4.99,560 5.605,561 0.653,562 380.43,563 3.434,564 4.977,565 5.838,566 6.739,567 7.641,568 8.56,569 9.479,570 10.407,571 11.336,572 12.27,573 4.2,574 1,575 2,576 8,577 4,578 1,579 16,580 48,581 19,582 2,583 30,584 50,585 21,586 14,587 4,588 8,589 3,590 4,591 1,592 1,593 17,594 4,596 3,598 3,599 3,600 1,601 1,602 20,603 6,604 3,605 7,607 2,608 0.667,609 5,611 2,614 1,615 1,616 2,618 1,619 28,621 1,622 3,625 10.4,626 1,627 3,628 15.333,629 8.817,630 6.306,631 2.833,632 3.183,633 1.433,634 0.955,635 5.927,636 10.538,637 3.738,638 4.353,639 4.976,640 5.63,641 6.235,642 6.61,643 7.041,644 7.466,645 7.715,646 7.957,647 1,648 46,649 10.41,650 4.513,651 8.143,652 19.069,653 15.371,654 2.643,655 74,657 1,658 200.109,659 123.704,660 34.796,661 129.118,663 123.704,664 329.227,665 34.796,666 8.825,667 42.13,668 75.81,669 128.866,670 27.087,671 4.901,672 200.109,673 200.109,674 158.501,675 129.118,677 200.109,678 129.118,679 52.854,680 105.646,682 200.109,683 163.914,684 123.704,686 200.109,687 39.069,688 86.534,690 162.015,691 200.109,692 163.914,693 123.704,694 0.575,695 0.335,696 0.191,697 0.121,698 19,699 10,700 0.16,701 8,702 1,703 1.133,704 3.688,705 250.644,706 0.133,707 15,708 5.796}
{0 CHEMBL332993,1 0.968,2 -0.157,3 0.893,4 0.067,5 0.997,6 0.053,7 -0.003,8 1.096,9 0.056,10 0.864,11 1.122,12 1.107,13 -0.03,14 -0.087,15 0.124,16 0.344,18 1.513,19 10.765,20 5.07,21 25.706,22 127.789,23 7.871,24 0.595,25 4.156,26 4.254,27 3.755,28 3.735,29 5.372,30 3.724,31 4.648,32 4.781,33 4.121,34 4.116,35 5.914,36 4.089,37 4.903,38 5.061,39 4.25,40 4.282,41 6.186,42 4.238,43 4.975,44 5.132,45 4.31,46 4.385,47 6.067,48 4.333,49 5.139,50 5.31,51 4.427,52 4.487,53 6.31,54 4.432,55 5.291,56 5.477,57 4.434,58 4.533,59 6.509,60 4.466,61 5.281,62 5.486,63 4.314,64 4.469,65 6.452,66 4.391,67 5.199,68 5.428,69 4.216,70 4.353,71 6.422,72 4.261,73 0.082,74 0.763,75 10.415,76 5.327,77 17.712,78 6.242,79 0.296,80 1.213,81 19.03,82 8.895,83 56.186,84 10.897,85 0.727,86 1.518,87 27.14,88 11.336,89 109.431,90 14.039,91 0.304,92 1.679,93 27.47,94 12.525,95 45.332,96 15.632,97 0.48,98 1.976,99 33.621,100 14.488,101 62.544,102 18.341,103 0.847,104 2.206,105 42.277,106 16.578,107 118.432,108 20.673,109 0.726,110 2.163,111 43.545,112 16.37,113 127.485,114 20.453,115 0.712,116 1.962,117 41.632,118 15.881,119 144.83,120 20.998,121 51,122 52,123 0.243,124 0.6,125 0.755,126 0.841,127 0.875,128 0.883,129 3.561,130 0.883,131 -3.55,132 -3.52,133 -3.36,134 46.6,135 1,136 2,139 1,141 11,142 5,143 1,144 1,146 2,147 1,148 1,149 18,151 6,152 1,153 2,154 21,156 3,157 7,158 2,159 1,160 22,161 1,162 6,163 1,164 22,165 1,166 2,167 10,168 1,169 2,170 22,171 2,172 2,173 12,175 2,176 5,177 21,178 1,180 9,181 1,183 3,184 17,185 2,186 2,187 1,188 11,189 1,190 1,191 4,192 1,193 14,194 2,195 2,196 1,197 1,198 11,199 1,200 2,201 1,202 5,203 1,204 9,205 2,206 3,207 2092,208 22.957,209 22.957,210 22.957,211 22.957,212 22.957,213 19.905,214 18.566,215 13.598,216 23.125,217 18.199,218 18.199,219 18.199,220 18.199,221 18.199,222 13.462,223 19.427,224 6.331,225 18.476,226 4.345,227 2.123,228 1.158,229 0.619,230 0.405,231 0.358,232 4.254,234 1,235 774,236 4.183,237 71.023,238 286.214,239 136.718,241 1.498,242 43.095,243 1,244 0.83,245 0.83,246 0.6,247 0.5,248 1,249 1,250 0.82,251 74,252 366,253 4.85,254 3.857,255 7.25,256 4.418,257 3.442,258 4.819,259 2.423,260 12.909,261 3.367,262 4.371,263 3.63,264 6.511,265 4.014,266 3.014,267 4.029,268 0.98,269 10.228,270 3.014,271 4.04,272 3.434,273 6.173,274 3.677,275 2.666,276 3.46,277 0.922,278 8.75,279 2.682,280 3.879,281 3.103,282 6.067,283 3.51,284 2.546,285 3.33,286 0.68,287 8.594,288 2.449,289 3.65,290 2.845,291 5.345,292 3.22,293 2.225,294 3.156,295 6.363,296 2.211,297 3.529,298 2.792,299 5.227,300 3.159,301 2.166,302 2.717,303 6.048,304 2.122,305 3.375,306 2.35,307 4.893,308 2.929,309 1.954,310 2.656,311 5.257,312 1.896,313 3.009,314 2.154,315 4.586,316 2.6,317 1.628,318 2.198,319 4.63,320 1.574,321 2.971,322 1.892,323 4.151,324 2.521,325 1.524,326 2.164,327 3.681,328 1.515,329 2.882,330 1.585,331 3.808,332 2.45,333 1.451,334 2.039,335 3.108,336 1.449,337 2.715,338 1.493,339 3.732,340 2.238,341 1.248,342 1.739,343 2.866,344 1.229,345 2.5,346 1.435,347 3.607,348 2,349 1,350 1.5,351 2.396,352 1,353 2.5,354 1.172,355 3.436,356 2,357 1,358 1.5,359 2.136,360 1,361 2.365,362 1,363 3.247,364 1.914,365 0.888,366 1.148,367 2.055,368 0.9,369 1.862,370 1,371 3.165,372 1.56,373 0.617,374 0.731,375 1.399,376 0.567,377 15.967,378 0.47,379 0.84,380 0.025,381 46,382 1.353,383 25,384 0.735,385 21,386 0.618,387 29.461,388 0.866,389 35.633,390 0.614,391 41.386,392 1.217,393 9.434,394 0.277,395 6.984,396 0.205,397 0.14,399 0.37,400 0.747,401 1.061,402 0.752,403 0.951,404 0.677,405 0.645,406 1.076,407 0.776,408 0.997,409 0.47,410 0.929,411 0.73,412 0.871,413 0.875,414 0.852,415 0.712,416 0.887,417 0.707,418 1.132,419 0.916,420 0.602,421 1.057,422 0.692,423 0.92,424 0.674,425 1.065,426 0.991,427 1.05,428 1.076,429 1.051,430 1.017,431 1.076,432 1.153,433 0.993,434 1.125,435 1.014,436 1.145,437 1.049,438 0.771,439 0.806,440 0.974,441 5.5,442 0.194,443 3.778,444 2.986,445 2.367,446 1.73,447 1.114,448 0.928,449 0.548,450 0.302,451 13926,452 42797,453 2.042,454 41.4,455 5,456 13,457 1,458 3,459 2,461 1.77,462 1.889,463 3.366,464 0.782,467 87.732,468 1.513,469 3.735,470 4.7,471 5.239,472 5.453,473 5.5,474 2.836,475 4.735,476 5.056,477 3.521,478 1975.5,479 8.93,480 28771.4,483 339.763,484 1.484,485 5.006,486 0.149,487 0.007,488 0.073,489 0.051,490 0.038,491 0.025,492 0.017,493 0.016,494 0.011,495 0.007,496 0.394,497 1,498 1.29,499 177.568,500 -0.072,501 0.033,502 0.014,503 0.052,504 -0.093,505 0.107,506 0.064,507 0.004,508 0.136,509 0.019,510 0.186,511 0.151,512 0.035,513 0.139,514 0.121,515 0.07,516 -0.011,517 -0.101,518 -0.053,519 -0.096,520 -0.018,521 -0.087,522 0.064,523 -0.024,524 -0.121,525 0.03,526 -0.096,527 -0.01,528 -0.049,529 -0.111,530 -0.075,531 -0.059,532 -0.109,533 -0.004,534 -0.13,535 -0.041,536 -0.138,537 -0.069,538 0.1,539 -0.02,540 0.112,541 2.816,542 5.923,543 0.618,544 32.824,545 1.01,546 1.114,547 2.32,548 5.381,549 0.684,550 3.638,551 3.97,552 4.29,553 4.625,554 4.927,555 5.063,556 5.226,557 5.371,558 5.451,559 5.485,560 6.46,561 0.662,562 456.53,563 3.638,564 5.187,565 6.057,566 6.959,567 7.863,568 8.78,569 9.698,570 10.624,571 11.55,572 12.48,573 3.4,574 1,575 1,576 12,577 7,579 22,580 58,581 25,582 2,583 37,584 61,585 27,586 20,587 3,588 9,589 4,590 5,591 1,592 2,593 23,594 4,596 3,598 3,599 3,602 24,603 6,604 3,605 7,607 2,608 0.75,609 5,610 1,611 3,614 1,615 1,616 3,618 1,619 34,621 1,622 3,625 8.6,626 1,627 3,628 18,629 10.65,630 7.611,631 3.467,632 4.541,633 1.561,634 0.979,635 6.92,636 12.638,637 3.951,638 4.577,639 5.218,640 5.874,641 6.481,642 6.843,643 7.304,644 7.745,645 8.059,646 8.389,647 1,648 58,649 12.64,650 5.498,651 8.01,652 23.446,653 19.174,654 2.51,655 85.333,657 1,658 247.193,659 168.593,660 34.184,661 129.118,663 168.593,664 376.311,665 34.184,666 8.825,667 42.559,668 113.286,669 128.866,670 33.458,671 16.672,672 235.422,673 247.193,674 202.777,675 129.118,677 247.193,678 129.118,679 52.67,680 150.106,682 247.193,683 163.302,684 168.593,686 247.193,687 46.482,688 123.398,690 162.015,691 247.193,692 163.302,693 168.593,694 0.576,695 0.342,696 0.197,697 0.121,698 24,699 12,700 0.148,701 9,702 1,703 1.095,704 4.165,705 337.032,706 0.095,707 21,708 5.796}
{0 CHEMBL446349,1 1.022,2 -0.116,3 0.867,4 0.065,5 0.954,6 0.049,7 0.015,8 1.083,9 0.047,10 0.864,11 1.004,12 0.923,13 0.012,14 -0.011,15 0.128,16 2.541,17 1.968,18 1.643,19 13.098,20 4.93,21 24.304,22 154.428,23 8.378,24 0.6,25 4.324,26 4.413,27 4.089,28 3.94,29 5.494,30 3.913,31 4.842,32 4.964,33 4.415,34 4.325,35 6.183,36 4.289,37 5.101,38 5.25,39 4.557,40 4.477,41 6.406,42 4.431,43 5.191,44 5.341,45 4.603,46 4.523,47 6.511,48 4.491,49 5.279,50 5.433,51 4.641,52 4.592,53 6.572,54 4.564,55 5.369,56 5.524,57 4.652,58 4.67,59 6.627,60 4.624,61 5.444,62 5.623,63 4.641,64 4.69,65 6.678,66 4.619,67 5.455,68 5.67,69 4.605,70 4.613,71 6.715,72 4.526,73 0.143,74 0.948,75 13.846,76 6.478,77 26.116,78 7.053,79 0.499,80 1.513,81 23.266,82 10.884,83 74.684,84 12.475,85 0.766,86 1.91,87 35.108,88 14.373,89 124.443,90 16.203,91 0.821,92 2.091,93 39.032,94 15.286,95 135.776,96 17.145,97 0.967,98 2.221,99 38.724,100 16.103,101 126.391,102 18.574,103 0.944,104 2.408,105 41.73,106 17.626,107 138.01,108 19.841,109 0.919,110 2.592,111 49.251,112 20.141,113 138.872,114 23.307,115 1.029,116 2.604,117 55.478,118 20.828,119 174.574,120 25.411,121 55,122 65,123 0.253,124 0.57,125 0.703,126 0.808,127 0.858,128 0.867,129 3.742,130 0.958,131 -3.64,132 -3.6,133 -3.43,134 45.6,135 1,136 1,139 2,141 15,142 5,143 2,146 2,149 19,150 1,151 8,153 4,154 21,156 2,157 13,158 2,159 3,160 16,161 4,162 13,163 3,164 11,166 4,167 15,169 4,170 18,172 1,173 15,175 1,176 5,177 23,179 1,180 18,182 1,183 5,184 20,186 3,187 1,188 17,190 1,191 7,193 16,195 4,197 3,198 12,199 1,200 2,201 1,202 6,203 1,204 13,206 3,207 3623,208 27.499,209 27.499,210 27.499,211 27.499,212 27.499,213 23.648,214 22.469,215 16.146,216 27.793,217 22.167,218 22.167,219 22.167,220 22.167,221 22.167,222 16.108,223 23.812,224 7.573,225 22.657,226 4.445,227 2.382,228 1.52,229 0.835,230 0.511,231 0.452,232 4.441,235 1157,236 5,237 75.159,238 445.334,239 142.262,240 168.677,241 1.67,242 64.755,243 0.75,244 0.5,245 0.67,246 0.5,248 0.67,249 1,250 0.58,251 89.5,252 537,253 4.932,254 4.689,255 7.345,256 4.481,257 3.503,258 5,259 2.014,260 13.306,261 3.431,262 4.852,263 3.859,264 7.306,265 4.307,266 3.387,267 4.701,268 0.98,269 12.495,270 3.087,271 4.309,272 3.583,273 6.507,274 3.895,275 2.884,276 4.049,277 0.878,278 10.057,279 2.914,280 4.002,281 3.461,282 6.11,283 3.635,284 2.658,285 3.502,286 0.522,287 8.793,288 2.599,289 3.848,290 2.944,291 5.871,292 3.441,293 2.451,294 3.297,295 7.81,296 2.436,297 3.789,298 2.87,299 5.367,300 3.38,301 2.395,302 3.248,303 6.882,304 2.323,305 3.629,306 2.65,307 5.338,308 3.231,309 2.232,310 3.076,311 6.298,312 2.209,313 3.465,314 2.595,315 5.188,316 2.958,317 1.957,318 2.703,319 6.141,320 1.957,321 3.354,322 2.062,323 4.913,324 2.921,325 1.927,326 2.68,327 5.066,328 1.91,329 3.071,330 2.02,331 4.661,332 2.643,333 1.66,334 2.274,335 4.806,336 1.624,337 2.907,338 1.835,339 4.127,340 2.443,341 1.443,342 2.086,343 3.232,344 1.442,345 2.814,346 1.576,347 3.757,348 2.361,349 1.37,350 1.901,351 3.095,352 1.35,353 2.694,354 1.469,355 3.66,356 2.182,357 1.194,358 1.761,359 2.89,360 1.176,361 2.56,362 1.354,363 3.623,364 2.132,365 1.148,366 1.578,367 2.739,368 1.126,369 2.5,370 1.288,371 3.555,372 2,373 1,374 1.5,375 2.136,376 1,377 19.533,378 0.476,379 1.136,380 0.028,381 57.5,382 1.402,383 32,384 0.78,385 25.5,386 0.622,387 36.765,388 0.897,389 42.867,390 0.63,391 56.097,392 1.368,393 11.487,394 0.28,395 8.221,396 0.201,397 0.131,398 0.043,399 0.328,400 0.594,401 1.132,402 0.768,403 1.084,404 0.626,405 0.64,406 1.043,407 0.815,408 0.966,409 0.533,410 0.916,411 0.87,412 1.036,413 0.937,414 0.999,415 0.826,416 0.931,417 0.955,418 1.107,419 1.006,420 0.842,421 0.976,422 1.006,423 0.838,424 0.964,425 0.952,426 1.213,427 1.025,428 0.967,429 0.961,430 1.06,431 1.063,432 1.127,433 1.067,434 1.004,435 1.041,436 1.026,437 1.104,438 0.989,439 0.982,440 0.974,441 8,442 0.445,443 4.667,444 3.799,445 3.483,446 2.279,447 1.421,448 1.18,449 0.709,450 0.646,451 24662,452 75043,453 2.055,454 39.7,455 3,456 19,458 3,459 2,461 1.814,462 1.9,463 3.568,464 0.74,467 111.721,468 1.643,469 3.705,470 4.567,471 5.253,472 5.576,473 5.635,474 3.015,475 5.016,476 5.325,477 3.785,478 3103.47,479 9.461,480 51853.2,483 413.947,484 1.597,485 5.272,486 0.178,487 0.009,488 0.072,489 0.053,490 0.045,491 0.028,492 0.018,493 0.015,494 0.01,495 0.011,496 0.438,497 0.75,498 0.909,499 228.208,500 0.016,501 -0.02,502 0.152,503 -0.02,504 -0.11,505 0.168,506 0.051,507 0.014,508 0.15,509 0.005,510 0.081,511 -0.01,512 0.037,513 0.009,514 0.057,515 0.02,516 0.052,517 -0.07,518 -0.044,519 -0.099,520 0.079,521 -0.041,522 0.049,523 -0.021,524 -0.029,525 -0.011,526 -0.028,527 -0.139,528 -0.042,529 -0.154,530 -0.067,531 -0.107,532 -0.139,533 -0.102,534 -0.101,535 -0.101,536 -0.092,537 -0.134,538 0.002,539 -0.074,540 0.013,541 5.031,542 6.273,543 0.61,544 47.417,545 1.014,546 1.113,547 2.405,548 5.784,549 0.699,550 3.829,551 4.19,552 4.5,553 4.836,554 5.147,555 5.323,556 5.545,557 5.73,558 5.858,559 5.905,560 7.586,561 0.674,562 569.68,563 3.829,564 5.398,565 6.271,566 7.185,567 8.089,568 9.017,569 9.938,570 10.874,571 11.804,572 12.746,573 4.4,574 2,575 4,576 15,577 5,578 1,579 27,580 68,581 32,582 4,583 45,584 72,585 31,586 24,587 7,588 15,589 5,590 8,591 1,592 1,593 27,594 4,596 5,597 1,598 5,599 3,602 27,603 8,604 3,605 10,606 1,607 3,608 0.6,609 6,611 4,612 1,616 3,617 1,618 1,619 41,620 1,622 3,623 1,625 8.8,627 5,628 21.583,629 12.45,630 8.986,631 3.999,632 4.9,633 1.565,634 1.016,635 8.045,636 13.573,637 4.167,638 4.838,639 5.466,640 6.143,641 6.782,642 7.233,643 7.786,644 8.295,645 8.718,646 9.036,647 0.889,648 72,649 15.664,650 7.273,651 8.047,652 28.367,653 23.694,654 2.547,655 104.417,658 282.506,659 206.337,660 51.201,661 130.748,662 5.807,663 200.529,664 413.254,665 51.201,666 8.825,667 58.535,668 147.951,669 134.291,670 33.783,671 4.901,672 282.506,673 282.506,674 251.731,675 130.748,676 5.807,677 282.506,678 130.748,679 69.259,680 182.472,681 5.807,682 282.506,683 181.949,684 206.337,685 5.807,686 282.506,687 49.56,688 152.868,689 16.405,690 163.645,691 282.506,692 181.949,693 206.337,694 0.584,695 0.347,696 0.196,697 0.117,698 31,699 15,700 0.139,701 10,702 2,703 1.16,704 4.69,705 443.142,706 0.16,707 25,708 5.796}
{0 CHEMBL478820,1 0.994,2 -0.13,3 1.13,4 0.066,5 1.035,6 0.049,7 -0.062,8 0.943,9 -0.096,10 0.905,11 1.161,12 1.105,13 -0.014,14 -0.103,15 -0.125,16 0.352,18 1.483,19 10.778,20 5.778,21 33.386,22 136.939,23 7.572,24 0.564,25 4.243,26 4.346,27 3.808,28 3.815,29 5.425,30 3.795,31 4.751,32 4.897,33 4.177,34 4.205,35 5.965,36 4.166,37 5.022,38 5.191,39 4.294,40 4.382,41 6.25,42 4.318,43 5.131,44 5.33,45 4.366,46 4.478,47 6.141,48 4.408,49 5.205,50 5.371,51 4.525,52 4.584,53 6.351,54 4.531,55 5.407,56 5.588,57 4.569,58 4.68,59 6.591,60 4.612,61 5.473,62 5.68,63 4.522,64 4.668,65 6.644,66 4.59,67 5.445,68 5.663,69 4.38,70 4.59,71 6.648,72 4.488,73 0.062,74 0.844,75 12.326,76 6.048,77 17.099,78 7.387,79 0.278,80 1.355,81 22.588,82 10.168,83 59.144,84 12.932,85 0.705,86 1.717,87 31.797,88 13.138,89 109.953,90 16.888,91 0.335,92 1.941,93 35.92,94 15.075,95 54.143,96 19.99,97 0.403,98 2.135,99 36.744,100 15.778,101 61.392,102 20.357,103 0.779,104 2.526,105 47.577,106 18.487,107 110.916,108 23.646,109 0.706,110 2.604,111 53.558,112 20.117,113 142.924,114 25.831,115 0.928,116 2.497,117 53.323,118 19.575,119 184.012,120 25.5,121 69,122 55,123 0.234,124 0.59,125 0.749,126 0.827,127 0.857,128 0.864,129 3.617,130 0.903,131 -3.94,132 -3.9,133 -3.7,134 45.3,135 2,136 2,137 1,139 1,141 11,142 5,143 1,144 1,146 2,147 1,148 1,149 20,151 6,152 1,153 2,154 24,156 3,157 7,158 2,159 1,160 24,161 1,162 6,163 1,164 24,165 1,166 2,167 12,168 1,169 2,170 24,171 2,172 2,173 14,175 2,176 5,177 23,178 1,180 13,181 1,183 5,184 25,185 2,186 4,187 1,188 11,189 1,190 1,191 4,192 1,193 20,194 2,195 2,196 1,197 1,198 11,199 1,200 2,201 1,202 5,203 1,204 15,205 4,206 3,207 2480,208 23.949,209 23.949,210 23.949,211 23.949,212 23.949,213 20.896,214 18.566,215 14.261,216 24.116,217 19.271,218 19.271,219 19.271,220 19.271,221 19.271,222 14.567,223 19.427,224 6.774,225 19.548,226 4.517,227 2.261,228 1.249,229 0.76,230 0.567,231 0.524,232 4.307,235 816,236 4.528,237 76.477,238 304.292,239 147.683,241 1.426,242 44.687,243 1,244 0.67,245 0.83,246 0.8,247 0.5,248 1,249 1,250 0.83,251 78,252 388,253 4.852,254 3.858,255 7.253,256 4.422,257 3.446,258 4.819,259 2.423,260 12.929,261 3.372,262 4.371,263 3.63,264 6.511,265 4.014,266 3.014,267 4.029,268 0.98,269 10.228,270 3.014,271 4.041,272 3.439,273 6.174,274 3.677,275 2.667,276 3.462,277 0.922,278 8.758,279 2.684,280 3.89,281 3.103,282 6.081,283 3.543,284 2.572,285 3.334,286 0.68,287 8.666,288 2.489,289 3.653,290 2.854,291 5.379,292 3.254,293 2.257,294 3.157,295 6.449,296 2.252,297 3.536,298 2.801,299 5.228,300 3.201,301 2.219,302 2.728,303 6.227,304 2.153,305 3.408,306 2.412,307 4.905,308 3.075,309 2.087,310 2.665,311 5.259,312 2.051,313 3.127,314 2.266,315 4.617,316 2.844,317 1.849,318 2.24,319 4.858,320 1.83,321 2.991,322 1.892,323 4.548,324 2.585,325 1.611,326 2.192,327 4.517,328 1.565,329 2.947,330 1.865,331 4.133,332 2.501,333 1.508,334 2.102,335 3.642,336 1.492,337 2.81,338 1.569,339 3.807,340 2.399,341 1.406,342 1.904,343 3.094,344 1.392,345 2.715,346 1.484,347 3.666,348 2.237,349 1.245,350 1.739,351 2.859,352 1.227,353 2.5,354 1.387,355 3.569,356 2,357 1,358 1.5,359 2.396,360 1,361 2.5,362 1.161,363 3.436,364 2,365 1,366 1.5,367 2.136,368 1,369 2.338,370 1,371 3.247,372 1.83,373 0.786,374 1.076,375 1.91,376 0.806,377 16.967,378 0.471,379 0.984,380 0.027,381 47,382 1.306,383 25,384 0.694,385 22,386 0.611,387 34.624,388 0.962,389 38.233,390 0.597,391 43.291,392 1.203,393 9.434,394 0.262,395 7.839,396 0.218,397 0.161,399 0.377,400 0.742,401 1.09,402 0.785,403 0.989,404 0.678,405 0.63,406 1.074,407 0.783,408 1,409 0.455,410 0.934,411 0.706,412 0.951,413 0.929,414 0.946,415 0.692,416 0.974,417 0.641,418 0.986,419 0.787,420 0.547,421 0.9,422 0.689,423 0.888,424 0.688,425 1.043,426 1.003,427 1.092,428 1.104,429 1.092,430 0.979,431 1.106,432 1.166,433 1.03,434 1.064,435 1.024,436 1.207,437 1.023,438 1.094,439 1.05,440 1.077,441 6.5,442 0.219,443 3.778,444 2.986,445 2.447,446 2.057,447 1.411,448 1.103,449 0.631,450 0.453,451 15748,452 46003,453 2.023,454 43.8,455 9,456 13,457 1,458 3,459 2,461 1.787,462 1.862,463 3.344,464 0.745,467 94.903,468 1.483,469 3.739,470 4.751,471 5.24,472 5.433,473 5.476,474 2.797,475 4.781,476 5.139,477 3.513,478 2213.41,479 9.107,480 33588.1,483 384,484 1.51,485 5.083,486 0.167,487 0.006,488 0.069,489 0.05,490 0.037,491 0.027,492 0.019,493 0.015,494 0.011,495 0.009,496 0.409,497 0.88,498 1.344,499 190.814,500 -0.062,501 0.027,502 0.018,503 0.046,504 -0.086,505 0.117,506 0.085,507 0.022,508 0.151,509 0.041,510 0.188,511 0.078,512 -0.009,513 0.059,514 0.119,515 -0.001,516 0.036,517 0.031,518 0.13,519 0.068,520 0.023,521 0.107,522 0.075,523 0.005,524 -0.102,525 0.022,526 -0.07,527 -0.02,528 -0.049,529 -0.157,530 -0.116,531 -0.047,532 -0.153,533 -0.041,534 -0.076,535 -0.046,536 -0.111,537 -0.048,538 -0.049,539 -0.019,540 -0.018,541 2.814,542 6.146,543 0.583,544 35.438,545 1.005,546 1.116,547 2.714,548 7.363,549 0.675,550 3.689,551 4.025,552 4.317,553 4.663,554 4.984,555 5.147,556 5.338,557 5.468,558 5.557,559 5.609,560 6.541,561 0.648,562 484.59,563 3.689,564 5.242,565 6.103,566 7.006,567 7.905,568 8.824,569 9.741,570 10.669,571 11.596,572 12.528,573 3.1,574 1,575 1,576 12,577 7,579 22,580 64,581 25,582 2,583 39,584 67,585 29,586 20,587 3,588 9,589 4,590 5,591 2,592 2,593 23,594 6,595 1,596 3,598 3,599 3,602 28,603 6,604 3,605 7,607 2,608 0.75,609 5,610 1,611 3,614 1,615 1,616 3,618 2,619 36,621 1,622 3,624 1,625 7.8,626 1,627 3,628 19.333,629 11.983,630 7.944,631 3.8,632 4.53,633 1.553,634 0.966,635 7.682,636 12.724,637 3.989,638 4.608,639 5.229,640 5.89,641 6.504,642 6.884,643 7.36,644 7.794,645 8.115,646 8.455,647 1,648 60,649 13.406,650 5.814,651 7.963,652 25.019,653 20.528,654 2.463,655 88.667,658 294.278,659 177.418,660 34.184,661 129.118,663 177.418,664 423.396,665 34.184,666 17.65,667 42.559,668 113.286,669 128.866,670 33.458,671 16.672,672 282.506,673 294.278,674 211.602,675 129.118,677 294.278,678 129.118,679 61.496,680 150.106,682 294.278,683 163.302,684 177.418,686 294.278,687 46.482,688 132.223,690 162.015,691 294.278,692 163.302,693 177.418,694 0.578,695 0.327,696 0.189,697 0.122,698 25,699 13,700 0.149,701 10,702 1,703 1.095,704 4.262,705 366.265,706 0.095,707 21,708 5.959}
{0 CHEMBL478821,1 0.884,2 -0.201,3 0.921,4 0.067,5 0.926,6 0.039,7 0.067,8 1.128,9 0.093,10 0.888,11 1.084,12 1.083,13 0.035,14 -0.059,15 0.094,16 0.581,18 1.436,19 9.645,20 5.401,21 29.166,22 121.554,23 7.5,24 0.647,25 4.092,26 4.2,27 3.665,28 3.693,29 5.246,30 3.666,31 4.594,32 4.744,33 4.021,34 4.079,35 5.718,36 4.035,37 4.82,38 4.987,39 4.174,40 4.25,41 6.008,42 4.194,43 4.934,44 5.093,45 4.245,46 4.352,47 6.004,48 4.289,49 5.1,50 5.284,51 4.321,52 4.44,53 6.215,54 4.366,55 5.223,56 5.425,57 4.272,58 4.464,59 6.366,60 4.37,61 5.189,62 5.413,63 4.087,64 4.379,65 6.262,66 4.261,67 5.087,68 5.348,69 3.936,70 4.244,71 6.074,72 4.107,73 0.024,74 0.723,75 10.593,76 5.072,77 9.924,78 6.39,79 0.155,80 1.159,81 19.383,82 8.558,83 28.732,84 10.982,85 0.355,86 1.437,87 25.277,88 10.754,89 65.471,90 14.022,91 0.178,92 1.62,93 27.622,94 12.082,95 27.819,96 15.564,97 0.379,98 1.909,99 34.246,100 14.07,101 50.645,102 18.437,103 0.553,104 2.081,105 40.931,106 15.922,107 94.019,108 20.579,109 0.497,110 2.008,111 40.903,112 15.36,113 96.453,114 20.028,115 0.331,116 1.8,117 38.085,118 14.746,119 70.28,120 20.243,121 36,122 48,123 0.233,124 0.57,125 0.733,126 0.826,127 0.862,128 0.871,129 3.473,130 0.902,131 -4.14,132 -4.08,133 -3.86,134 47.3,135 1,136 2,138 1,141 11,142 5,143 1,144 1,146 1,149 18,151 6,153 1,154 21,156 2,157 7,158 1,159 1,160 22,161 1,162 6,163 1,164 22,166 2,167 9,169 1,170 22,172 1,173 10,175 1,176 3,177 21,180 8,183 2,184 17,186 2,188 9,191 2,193 14,195 2,198 9,202 3,204 9,206 3,207 1578,208 21.259,209 21.259,210 21.259,211 21.259,212 21.259,213 18.413,214 16.97,215 12.485,216 21.48,217 16.643,218 16.643,219 16.643,220 16.643,221 16.643,222 12.204,223 18.187,224 5.679,225 16.902,226 4.346,227 2.274,228 1.271,229 0.702,230 0.478,231 0.427,232 4.167,234 1,235 637,236 3.674,237 62.692,238 254.996,239 120.532,241 1.292,242 29.036,243 1,244 1,245 1,246 0.6,247 0.5,248 1,249 1,250 0.87,251 66,252 299,253 4.85,254 3.856,255 7.249,256 4.417,257 3.441,258 4.818,259 0.98,260 12.906,261 3.367,262 4.371,263 3.438,264 6.511,265 4.014,266 3.014,267 4.029,268 0.86,269 10.228,270 3.014,271 4.039,272 3.104,273 6.173,274 3.675,275 2.662,276 3.459,277 0.68,278 8.747,279 2.681,280 3.868,281 2.844,282 6.061,283 3.491,284 2.523,285 3.326,287 8.55,288 2.437,289 3.647,290 2.791,291 5.343,292 3.208,293 2.209,294 3.154,295 6.36,296 2.205,297 3.379,298 2.349,299 5.224,300 2.934,301 1.964,302 2.677,303 6.004,304 1.899,305 3.013,306 2.141,307 4.834,308 2.61,309 1.643,310 2.2,311 4.728,312 1.581,313 2.972,314 1.858,315 4.151,316 2.522,317 1.525,318 2.168,319 3.68,320 1.517,321 2.882,322 1.575,323 3.808,324 2.45,325 1.451,326 2.039,327 3.108,328 1.449,329 2.716,330 1.493,331 3.732,332 2.24,333 1.251,334 1.742,335 2.857,336 1.231,337 2.5,338 1.364,339 3.607,340 2,341 1,342 1.5,343 2.396,344 1,345 2.5,346 1,347 3.436,348 2,349 1,350 1.5,351 2.136,352 1,353 2.362,354 1,355 3.247,356 1.913,357 0.887,358 1.146,359 2.045,360 0.899,361 1.811,362 0.973,363 3.107,364 1.526,365 0.564,366 0.673,367 1.042,368 0.527,369 1.546,370 0.792,371 2.776,372 1.261,373 0.303,374 0.368,375 0.473,376 0.291,377 14.8,378 0.477,379 0.696,380 0.022,381 42.5,382 1.371,383 23.5,384 0.758,385 19,386 0.613,387 26.251,388 0.847,389 32,390 0.582,391 35.758,392 1.153,393 8.64,394 0.279,395 6.422,396 0.207,397 0.14,399 0.365,400 0.719,401 1.077,402 0.779,403 0.966,404 0.634,405 0.818,406 1,407 0.802,408 0.91,409 0.552,410 0.865,411 0.714,412 0.922,413 0.824,414 0.895,415 0.63,416 0.878,417 0.859,418 1.165,419 0.974,420 0.798,421 1.077,422 0.837,423 0.985,424 0.851,425 1.055,426 1.193,427 1.067,428 1.134,429 1.068,430 1.231,431 1.09,432 1.334,433 0.969,434 1.204,435 0.996,436 1.367,437 1.065,438 0.841,439 0.893,440 0.932,441 4.5,442 0.153,443 3.556,444 2.986,445 2.287,446 1.647,447 0.935,448 0.572,449 0.4,450 0.282,451 10849,452 29011,453 2.065,454 43.6,455 5,456 14,457 1,458 2,459 2,461 1.747,462 1.918,463 3.239,464 0.129,467 78.969,468 1.436,469 3.508,470 4.51,471 5.079,472 5.304,473 5.354,474 2.605,475 4.632,476 4.927,477 3.378,478 1570.99,479 8.663,480 21337.8,483 317.975,484 1.462,485 4.877,486 0.132,487 0.007,488 0.074,489 0.054,490 0.039,491 0.027,492 0.017,493 0.012,494 0.01,495 0.009,496 0.382,497 1,498 1.07,499 156.522,500 -0.035,501 0.006,502 0.037,503 0.023,504 -0.073,505 0.023,506 0.084,507 0.08,508 0.068,509 0.086,510 0.178,511 0.101,512 0.09,513 0.092,514 0.21,515 0.08,517 -0.143,518 -0.076,519 -0.143,520 -0.036,521 -0.125,522 0.094,523 -0.047,524 -0.11,525 0.034,526 -0.1,527 -0.037,528 -0.081,529 -0.146,530 -0.095,531 -0.052,532 -0.131,533 0.014,534 -0.195,535 -0.026,536 -0.178,537 -0.094,538 -0.01,539 0.06,540 -0.01,541 2.635,542 5.817,543 0.677,544 26.1,545 0.998,546 1.113,547 2.908,548 8.454,549 0.686,550 3.555,551 3.892,552 4.248,553 4.585,554 4.875,555 4.99,556 5.124,557 5.236,558 5.308,559 5.347,560 5.942,561 0.654,562 412.52,563 3.555,564 5.106,565 5.989,566 6.897,567 7.809,568 8.73,569 9.653,570 10.581,571 11.509,572 12.44,573 3.6,574 1,575 1,576 12,577 7,579 22,580 55,581 24,582 2,583 34,584 58,585 26,586 20,587 3,588 9,589 4,590 5,591 1,592 2,593 22,594 4,596 2,598 2,599 2,602 24,603 4,604 2,605 5,607 2,608 0.75,609 3,610 1,611 3,616 3,618 2,619 31,622 2,625 5.5,627 2,628 16.167,629 10.533,630 7.028,631 3.333,632 4.478,633 1.567,634 1.005,635 5.921,636 12.377,637 3.871,638 4.514,639 5.196,640 5.857,641 6.457,642 6.804,643 7.248,644 7.672,645 7.976,646 8.307,647 1,648 55,649 11.489,650 4.926,651 7.796,652 21.776,653 17.874,654 2.296,655 71.167,658 258.964,659 173.974,660 34.184,661 61.29,663 173.974,664 320.254,665 34.184,666 19.708,667 37.966,668 113.286,669 60.128,670 33.458,671 16.672,672 247.193,673 258.964,674 208.157,675 61.29,677 258.964,678 61.29,679 48.078,680 160.08,682 258.964,683 95.473,684 173.974,686 258.964,687 40.979,688 134.281,690 94.187,691 258.964,692 95.473,693 173.974,694 0.574,695 0.361,696 0.212,697 0.127,698 23,699 11,700 0.121,701 7,702 1,703 1.095,704 3.94,705 300.023,706 0.095,707 21,708 5.796}
{0 CHEMBL479251,1 0.983,2 -0.121,3 1.064,4 0.068,5 0.97,6 0.039,7 -0.023,8 0.997,9 -0.078,10 0.929,11 0.976,12 0.892,13 -0.002,14 0.055,15 -0.076,16 0.959,17 1.952,18 1.646,19 13.205,20 4.73,21 22.368,22 147.127,23 8.054,24 0.524,25 4.309,26 4.406,27 4.041,28 3.896,29 5.458,30 3.863,31 4.838,32 4.976,33 4.356,34 4.274,35 6.155,36 4.229,37 5.103,38 5.266,39 4.475,40 4.424,41 6.386,42 4.361,43 5.217,44 5.407,45 4.514,46 4.454,47 6.484,48 4.405,49 5.222,50 5.382,51 4.56,52 4.514,53 6.518,54 4.485,55 5.345,56 5.506,57 4.575,58 4.617,59 6.599,60 4.558,61 5.444,62 5.642,63 4.56,64 4.612,65 6.672,66 4.534,67 5.421,68 5.636,69 4.427,70 4.52,71 6.654,72 4.415,73 0.137,74 0.964,75 15.136,76 6.645,77 26.118,78 7.612,79 0.501,80 1.523,81 25.648,82 11.154,83 79.315,84 13.366,85 0.763,86 1.905,87 37.593,88 14.537,89 124.638,90 17.208,91 0.884,92 2.085,93 45.252,94 15.989,95 149.594,96 19.492,97 0.958,98 2.11,99 38.754,100 14.922,101 123.299,102 17.944,103 0.832,104 2.349,105 42.731,106 17.481,107 129.588,108 20.926,109 0.991,110 2.514,111 53.716,112 19.879,113 164.561,114 24.067,115 1.189,116 2.424,117 55.945,118 19.135,119 195.427,120 23.435,121 73,122 60,123 0.255,124 0.585,125 0.718,126 0.805,127 0.841,128 0.846,129 3.693,130 0.987,131 -3.39,132 -3.37,133 -3.22,134 42.6,135 2,136 1,137 1,139 2,141 13,142 3,143 2,146 2,149 16,150 1,151 8,153 4,154 17,156 2,157 12,158 2,159 3,160 10,161 4,162 12,163 3,164 9,166 4,167 12,169 4,170 15,172 1,173 15,175 1,176 5,177 19,179 1,180 18,182 1,183 5,184 18,186 4,187 1,188 12,190 1,191 3,193 12,195 2,197 3,198 8,199 1,200 2,201 1,202 4,203 1,204 11,206 2,207 3259,208 25.628,209 25.628,210 25.628,211 25.628,212 25.628,213 22.302,214 22.469,215 15.159,216 25.926,217 20.745,218 20.745,219 20.745,220 20.745,221 20.745,222 15.555,223 23.812,224 7.201,225 21.239,226 4.442,227 2.321,228 1.46,229 0.899,230 0.669,231 0.64,232 4.38,235 1088,236 5.196,237 91.771,238 382.22,239 175.768,241 1.8,242 63.179,243 0.75,244 0.5,245 0.67,246 0.7,247 0.5,248 0.5,249 0.5,250 0.59,251 85.5,252 515,253 4.854,254 4.689,255 7.306,256 4.422,257 3.444,258 4.819,259 2.014,260 12.926,261 3.375,262 4.85,263 3.855,264 7.252,265 4.307,266 3.387,267 4.701,268 0.98,269 12.495,270 3.087,271 4.048,272 3.581,273 6.183,274 3.701,275 2.685,276 3.494,277 0.878,278 8.818,279 2.714,280 3.971,281 3.408,282 6.097,283 3.596,284 2.632,285 3.462,286 0.522,287 8.729,288 2.546,289 3.787,290 2.896,291 5.402,292 3.411,293 2.417,294 3.251,295 6.892,296 2.392,297 3.637,298 2.838,299 5.293,300 3.282,301 2.284,302 3.077,303 6.359,304 2.262,305 3.477,306 2.624,307 5.188,308 3.113,309 2.135,310 2.729,311 6.126,312 2.073,313 3.405,314 2.307,315 4.873,316 2.954,317 1.951,318 2.669,319 5.081,320 1.952,321 3.127,322 2.02,323 4.653,324 2.853,325 1.848,326 2.239,327 4.873,328 1.849,329 2.952,330 1.866,331 4.557,332 2.552,333 1.581,334 2.102,335 4.521,336 1.531,337 2.813,338 1.836,339 3.829,340 2.399,341 1.407,342 1.906,343 3.138,344 1.392,345 2.718,346 1.512,347 3.698,348 2.243,349 1.251,350 1.766,351 2.846,352 1.234,353 2.693,354 1.387,355 3.629,356 2.177,357 1.183,358 1.736,359 2.742,360 1.171,361 2.5,362 1.354,363 3.5,364 2,365 1,366 1.5,367 2.136,368 1,369 2.5,370 1.137,371 3.254,372 2,373 1,374 1.5,375 2.136,376 1,377 18.533,378 0.475,379 1.178,380 0.03,381 52,382 1.333,383 28,384 0.718,385 24,386 0.615,387 36.71,388 0.941,389 42.067,390 0.619,391 49.923,392 1.28,393 10.265,394 0.263,395 8.315,396 0.213,397 0.165,398 0.045,399 0.318,400 0.599,401 1.212,402 0.798,403 1.153,404 0.632,405 0.635,406 1.085,407 0.817,408 0.997,409 0.522,410 0.942,411 0.866,412 1.1,413 0.98,414 1.074,415 0.819,416 1.017,417 0.892,418 1.033,419 0.91,420 0.796,421 0.881,422 1.039,423 0.854,424 1.012,425 0.93,426 1.127,427 1.136,428 0.975,429 1.063,430 1.047,431 1.154,432 1.192,433 1.032,434 0.976,435 0.991,436 1.134,437 1.043,438 1.236,439 1.108,440 1.055,441 8.5,442 0.35,443 4.444,444 3.549,445 2.873,446 2.216,447 1.299,448 1.083,449 0.574,450 0.551,451 21661,452 65542,453 2.001,454 42.6,455 7,456 17,458 3,459 2,461 1.8,462 1.835,463 3.604,464 0.773,467 111.92,468 1.646,469 3.766,470 4.628,471 5.188,472 5.418,473 5.448,474 3.054,475 4.67,476 5.254,477 3.814,478 2826.37,479 9.306,480 46556.7,483 413.947,484 1.642,485 5.189,486 0.202,487 0.008,488 0.074,489 0.055,490 0.042,491 0.03,492 0.018,493 0.016,494 0.01,495 0.011,496 0.465,497 0.75,498 1.044,499 215.484,500 0.019,501 -0.043,502 0.156,503 -0.031,504 -0.108,505 0.179,506 0.077,507 0.014,508 0.167,509 0.017,510 0.082,511 -0.061,512 0.005,513 -0.051,514 0.061,515 -0.048,516 0.095,517 -0.022,518 0.092,519 -0.001,520 0.111,521 0.096,522 0.033,523 -0.032,524 0.006,525 -0.02,526 -0.006,527 -0.105,528 -0.137,529 -0.167,530 -0.155,531 -0.089,532 -0.213,533 -0.075,534 -0.053,535 -0.054,536 -0.102,537 -0.073,538 -0.121,539 -0.032,540 -0.081,541 5.006,542 6.159,543 0.538,544 45.787,545 1.012,546 1.119,547 2.155,548 4.645,549 0.681,550 3.761,551 4.111,552 4.369,553 4.682,554 4.956,555 5.081,556 5.247,557 5.333,558 5.407,559 5.455,560 7.7,561 0.653,562 547.68,563 3.761,564 5.323,565 6.176,566 7.079,567 7.966,568 8.882,569 9.785,570 10.708,571 11.622,572 12.549,573 4.4,574 2,575 2,576 13,577 5,578 1,579 22,580 68,581 27,582 3,583 42,584 71,585 29,586 20,587 5,588 13,589 4,590 5,591 2,592 1,593 23,594 6,595 1,596 5,597 1,598 5,599 3,602 29,603 8,604 3,605 10,606 1,607 3,608 0.75,609 6,611 3,616 3,617 1,618 2,619 39,620 1,622 3,623 1,624 1,625 8.8,627 5,628 21.25,629 12.617,630 8.514,631 3.929,632 3.772,633 1.462,634 0.982,635 8.66,636 11.928,637 4.078,638 4.712,639 5.271,640 5.895,641 6.453,642 6.778,643 7.218,644 7.588,645 7.871,646 8.158,647 0.889,648 64,649 14.914,650 6.849,651 8.075,652 26.976,653 22.253,654 2.575,655 100.417,658 306.049,659 191.064,660 51.201,661 130.748,662 5.807,663 185.256,664 436.796,665 51.201,666 17.65,667 58.535,668 128.999,669 134.291,670 28.637,671 4.901,672 306.049,673 306.049,674 236.457,675 130.748,676 5.807,677 306.049,678 130.748,679 78.084,680 158.373,681 5.807,682 306.049,683 181.949,684 191.064,685 5.807,686 306.049,687 44.415,688 142.741,689 16.405,690 163.645,691 306.049,692 181.949,693 191.064,694 0.585,695 0.331,696 0.185,697 0.112,698 27,699 14,700 0.155,701 11,702 1,703 1.095,704 4.568,705 395.714,706 0.095,707 21,708 5.796}
{0 CHEMBL504813,1 1.015,2 -0.095,3 1.218,4 0.065,5 1.077,6 0.041,7 -0.13,8 0.904,9 -0.171,10 0.941,11 1.044,12 1.029,13 -0.01,14 0.054,15 -0.188,16 1.094,17 1.981,18 1.538,19 9.133,20 3.974,21 15.796,22 111.989,23 7.565,24 0.5,25 4.074,26 4.18,27 3.631,28 3.607,29 5.271,30 3.596,31 4.588,32 4.741,33 3.998,34 3.986,35 5.832,36 3.956,37 4.85,38 5.02,39 4.103,40 4.146,41 6.125,42 4.093,43 4.96,44 5.172,45 4.172,46 4.229,47 5.979,48 4.17,49 4.99,50 5.154,51 4.331,52 4.339,53 6.181,54 4.304,55 5.191,56 5.354,57 4.368,58 4.453,59 6.44,60 4.396,61 5.286,62 5.491,63 4.286,64 4.409,65 6.522,66 4.333,67 5.235,68 5.469,69 3.982,70 4.229,71 6.49,72 4.109,73 0.085,74 0.731,75 10.58,76 5.077,77 17.93,78 6.206,79 0.323,80 1.157,81 19.718,82 8.363,83 60.187,84 10.747,85 0.689,86 1.435,87 27.27,88 10.548,89 109.273,90 13.687,91 0.456,92 1.615,93 31.396,94 11.948,95 58.658,96 16.271,97 0.49,98 1.718,99 30.135,100 12.19,101 60.162,102 15.679,103 0.675,104 1.985,105 37.928,106 14.955,107 105.769,108 18.792,109 0.838,110 2.058,111 45.243,112 16.113,113 142.846,114 20.929,115 1.039,116 1.876,117 45.386,118 14.811,119 188.327,120 19.823,121 69,122 45,123 0.254,124 0.629,125 0.767,126 0.828,127 0.846,128 0.846,129 3.442,130 0.906,131 -3.33,132 -3.32,133 -3.18,134 42.6,135 2,136 1,137 1,139 2,141 8,142 3,143 1,146 2,147 1,148 1,149 12,151 8,152 1,153 2,154 13,156 2,157 8,158 2,159 1,160 8,161 2,162 8,163 1,164 9,165 2,166 2,167 8,169 3,170 15,171 2,172 1,173 11,174 1,175 1,176 5,177 19,178 1,179 1,180 11,181 1,182 1,183 5,184 18,185 1,186 4,187 1,188 7,189 1,190 1,191 3,192 1,193 8,194 2,195 2,196 1,197 1,198 6,199 1,200 2,201 1,202 4,203 1,204 3,205 4,206 2,207 1430,208 19.673,209 19.673,210 19.673,211 19.673,212 19.673,213 17.309,214 19.408,215 11.72,216 19.835,217 15.806,218 15.806,219 15.806,220 15.806,221 15.806,222 12.107,223 21.95,224 5.586,225 16.076,226 4.216,227 1.942,228 1.102,229 0.732,230 0.621,231 0.621,232 4.118,234 1,235 563,236 4.416,237 64.536,238 170.665,239 124.647,241 1.351,242 42.213,243 1,244 1,245 0.83,246 0.8,247 0.5,248 1,249 1,250 0.88,251 66,252 274,253 4.851,254 3.856,255 7.252,256 4.422,257 3.444,258 4.819,259 2.423,260 12.926,261 3.375,262 4.048,263 3.63,264 6.183,265 3.701,266 2.685,267 3.494,268 0.98,269 8.818,270 2.714,271 3.971,272 3.41,273 6.097,274 3.595,275 2.631,276 3.462,277 0.922,278 8.728,279 2.546,280 3.786,281 2.897,282 5.402,283 3.409,284 2.415,285 3.251,286 0.522,287 6.891,288 2.391,289 3.536,290 2.838,291 5.289,292 3.214,293 2.233,294 2.728,295 6.285,296 2.165,297 3.407,298 2.624,299 4.898,300 3.078,301 2.095,302 2.664,303 5.252,304 2.041,305 3.127,306 2.307,307 4.616,308 2.853,309 1.848,310 2.238,311 4.858,312 1.849,313 2.952,314 1.866,315 4.539,316 2.55,317 1.579,318 2.102,319 4.475,320 1.529,321 2.813,322 1.836,323 3.829,324 2.398,325 1.406,326 1.906,327 3.138,328 1.392,329 2.716,330 1.512,331 3.696,332 2.24,333 1.246,334 1.74,335 2.839,336 1.231,337 2.5,338 1.387,339 3.499,340 2,341 1,342 1.5,343 2.136,344 1,345 2.337,346 1.138,347 3.247,348 1.821,349 0.784,350 1.074,351 1.901,352 0.797,353 1.806,354 1,355 3.136,356 1.485,357 0.568,358 0.663,359 1.347,360 0.512,361 1.427,362 0.633,363 2.84,364 1.126,365 0.122,366 0.154,367 0.311,368 0.121,369 1.01,370 0.48,371 2.615,372 0.702,373 -0.288,374 -0.349,375 -0.744,376 -0.284,377 13.967,378 0.466,379 0.881,380 0.029,381 37.5,382 1.25,383 19,384 0.633,385 18.5,386 0.617,387 27.623,388 0.921,389 32.833,390 0.608,391 33.115,392 1.104,393 7.579,394 0.253,395 6.711,396 0.224,397 0.196,399 0.387,400 0.757,401 1.173,402 0.791,403 1.05,404 0.685,405 0.654,406 1.105,407 0.768,408 1.011,409 0.451,410 0.928,411 0.765,412 1.067,413 0.95,414 1.008,415 0.709,416 1.017,417 0.647,418 0.988,419 0.74,420 0.546,421 0.85,422 0.764,423 0.87,424 0.726,425 0.972,426 1.045,427 1.188,428 1.14,429 1.218,430 1.043,431 1.202,432 1.136,433 1.079,434 1.101,435 1.105,436 1.239,437 1.1,438 1.166,439 1.121,440 1.143,441 6,442 0.078,443 2.889,444 2.486,445 2.384,446 1.89,447 1.176,448 0.902,449 0.358,450 0.237,451 9113,452 28527,453 1.974,454 44.4,455 7,456 12,458 3,459 2,461 1.742,462 1.8,463 3.108,464 0.867,466 1,467 83.073,468 1.538,469 3.813,470 4.653,471 5.023,472 5.134,473 5.134,474 2.644,475 4.44,476 4.872,477 3.297,478 1434.36,479 8.582,480 19266.3,481 1,482 1,483 310.764,484 1.549,485 4.808,486 0.188,487 0.006,488 0.064,489 0.052,490 0.045,491 0.03,492 0.019,493 0.017,494 0.01,495 0.01,496 0.441,497 1,498 1.481,499 149.511,500 -0.074,501 0.001,502 0.011,503 0.031,504 -0.09,505 0.106,506 0.105,507 0.031,508 0.16,509 0.061,510 0.145,511 -0.017,512 -0.027,513 0.004,514 0.113,515 -0.042,516 0.063,517 0.044,518 0.189,519 0.1,520 0.034,521 0.158,522 0.039,523 0.021,524 -0.012,525 0.018,526 0.003,527 -0.076,528 -0.149,529 -0.217,530 -0.205,531 -0.075,532 -0.234,533 -0.111,534 -0.113,535 -0.125,536 -0.119,537 -0.125,538 -0.077,539 -0.083,540 -0.039,541 2.805,542 5.857,543 0.5,544 27.844,545 1.01,546 1.122,547 2.101,548 4.415,549 0.66,550 3.497,551 3.829,552 4.094,553 4.443,554 4.771,555 4.942,556 5.106,557 5.187,558 5.204,559 5.165,560 5.739,561 0.637,562 408.49,563 3.497,564 5.043,565 5.894,566 6.797,567 7.693,568 8.614,569 9.532,570 10.463,571 11.393,572 12.329,573 3.7,574 1,575 2,576 8,577 4,578 1,579 16,580 54,581 19,582 2,583 32,584 56,585 23,586 14,587 4,588 8,589 3,590 4,591 2,592 1,593 17,594 6,595 1,596 3,598 3,599 3,601 1,602 24,603 6,604 3,605 7,607 2,608 0.667,609 5,611 2,614 1,615 1,616 2,618 2,619 30,621 1,622 3,624 1,625 9.3,626 1,627 3,628 16.667,629 10.15,630 6.639,631 3.167,632 3.161,633 1.423,634 0.943,635 6.704,636 10.64,637 3.784,638 4.391,639 4.99,640 5.651,641 6.264,642 6.661,643 7.113,644 7.528,645 7.788,646 8.051,647 1,648 48,649 11.176,650 4.828,651 8.078,652 20.642,653 16.725,654 2.578,655 77.333,656 1,657 1,658 247.193,659 132.529,660 34.796,661 129.118,663 132.529,664 376.311,665 34.796,666 17.65,667 42.13,668 75.81,669 128.866,670 27.087,671 4.901,672 247.193,673 247.193,674 167.326,675 129.118,677 247.193,678 129.118,679 61.679,680 105.646,682 247.193,683 163.914,684 132.529,686 247.193,687 39.069,688 95.359,690 162.015,691 247.193,692 163.914,693 132.529,694 0.578,695 0.318,696 0.181,697 0.122,698 20,699 11,700 0.161,701 9,702 1,703 1.133,704 3.8,705 276.981,706 0.133,707 15,708 5.796}
{0 CHEMBL506485,1 1.068,2 -0.092,3 1.042,4 0.064,5 1.018,6 0.047,7 -0.075,8 0.981,9 -0.133,10 0.897,11 0.948,12 0.861,13 0.022,14 0.087,15 -0.094,16 2.566,17 2.01,18 1.611,19 13.186,20 5.638,21 31.786,22 163.578,23 8.078,24 0.574,25 4.398,26 4.492,27 4.128,28 4.006,29 5.54,30 3.973,31 4.928,32 5.061,33 4.457,34 4.398,35 6.223,36 4.353,37 5.199,38 5.358,39 4.59,40 4.56,41 6.457,42 4.498,43 5.319,44 5.504,45 4.649,46 4.6,47 6.561,48 4.553,49 5.342,50 5.496,51 4.719,52 4.676,53 6.606,54 4.651,55 5.473,56 5.622,57 4.761,58 4.806,59 6.697,60 4.753,61 5.61,62 5.794,63 4.809,64 4.859,65 6.832,66 4.79,67 5.652,68 5.852,69 4.741,70 4.826,71 6.9,72 4.731,73 0.128,74 1.03,75 15.97,76 7.194,77 25.749,78 8.223,79 0.484,80 1.655,81 27.179,82 12.193,83 79.268,84 14.576,85 0.73,86 2.108,87 40.03,88 16.158,89 125.076,90 19.096,91 0.841,92 2.352,93 48.362,94 17.886,95 147.706,96 21.713,97 0.955,98 2.406,99 42.42,100 16.843,101 123.861,102 19.989,103 0.811,104 2.698,105 46.502,106 19.992,107 127.836,108 23.499,109 0.916,110 3.041,111 59.992,112 23.999,113 160.314,114 28.84,115 1.204,116 3.16,117 65.588,118 24.491,119 210.566,120 29.579,121 73,122 68,123 0.244,124 0.566,125 0.704,126 0.799,127 0.845,128 0.853,129 3.788,130 0.972,131 -4.01,132 -3.96,133 -3.75,134 44.6,135 2,136 1,137 1,139 2,141 15,142 5,143 2,146 2,149 21,150 1,151 8,153 4,154 24,156 2,157 13,158 2,159 3,160 16,161 4,162 15,163 3,164 13,166 4,167 15,169 4,170 20,172 1,173 17,175 1,176 5,177 27,179 1,180 22,182 1,183 7,184 30,186 5,187 1,188 17,190 1,191 7,193 24,195 4,197 3,198 12,199 1,200 2,201 1,202 6,203 1,204 17,206 3,207 4131,208 28.49,209 28.49,210 28.49,211 28.49,212 28.49,213 24.639,214 22.469,215 16.809,216 28.784,217 23.239,218 23.239,219 23.239,220 23.239,221 23.239,222 17.213,223 23.812,224 8.016,225 23.726,226 4.599,227 2.481,228 1.569,229 0.939,230 0.642,231 0.588,232 4.486,235 1215,236 5.292,237 79.654,238 469.002,239 150.715,240 179.001,241 1.687,242 66.307,243 0.75,244 0.5,245 0.67,246 0.5,247 0.5,248 0.5,249 0.5,250 0.56,251 93.5,252 567,253 4.933,254 4.689,255 7.348,256 4.484,257 3.506,258 5.001,259 2.014,260 13.319,261 3.434,262 4.852,263 3.86,264 7.306,265 4.307,266 3.387,267 4.701,268 0.98,269 12.495,270 3.087,271 4.312,272 3.583,273 6.509,274 3.899,275 2.89,276 4.05,277 0.878,278 10.077,279 2.916,280 4.004,281 3.464,282 6.121,283 3.644,284 2.666,285 3.503,286 0.522,287 8.841,288 2.61,289 3.848,290 2.956,291 5.871,292 3.445,293 2.452,294 3.299,295 7.812,296 2.445,297 3.794,298 2.87,299 5.403,300 3.406,301 2.42,302 3.249,303 6.903,304 2.354,305 3.63,306 2.652,307 5.339,308 3.254,309 2.251,310 3.076,311 6.496,312 2.243,313 3.467,314 2.626,315 5.188,316 3.144,317 2.159,318 2.722,319 6.18,320 2.115,321 3.416,322 2.25,323 4.914,324 2.955,325 1.951,326 2.694,327 5.067,328 1.954,329 3.074,330 2.02,331 4.661,332 2.779,333 1.782,334 2.274,335 4.832,336 1.773,337 3.038,338 1.838,339 4.605,340 2.641,341 1.66,342 2.118,343 4.764,344 1.622,345 2.9,346 1.804,347 4.081,348 2.432,349 1.435,350 2.041,351 3.153,352 1.431,353 2.804,354 1.559,355 3.693,356 2.348,357 1.359,358 1.895,359 3.087,360 1.338,361 2.694,362 1.466,363 3.658,364 2.181,365 1.191,366 1.76,367 2.874,368 1.175,369 2.515,370 1.354,371 3.623,372 2.072,373 1.094,374 1.517,375 2.736,376 1.064,377 20.533,378 0.478,379 1.281,380 0.03,381 58.5,382 1.36,383 32,384 0.744,385 26.5,386 0.616,387 42.239,388 0.982,389 45.467,390 0.614,391 58.286,392 1.355,393 11.487,394 0.267,395 9.077,396 0.211,397 0.149,398 0.041,399 0.336,400 0.591,401 1.151,402 0.787,403 1.102,404 0.627,405 0.626,406 1.043,407 0.81,408 0.968,409 0.518,410 0.919,411 0.842,412 1.085,413 0.959,414 1.051,415 0.804,416 0.997,417 0.87,418 1.038,419 0.884,420 0.774,421 0.866,422 1.067,423 0.838,424 0.979,425 0.888,426 1.152,427 1.101,428 0.974,429 1.041,430 1.014,431 1.124,432 1.131,433 1.056,434 0.934,435 1.005,436 1.066,437 1.036,438 1.218,439 1.132,440 1.103,441 9,442 0.445,443 4.667,444 3.799,445 3.563,446 2.55,447 1.774,448 1.418,449 0.776,450 0.768,451 27252,452 79697,453 2.039,454 41.9,455 7,456 19,458 3,459 2,461 1.827,462 1.876,463 3.557,464 0.71,467 119.19,468 1.611,469 3.729,470 4.64,471 5.27,472 5.567,473 5.621,474 3.018,475 4.88,476 5.394,477 3.789,478 3421.17,479 9.607,480 58878.6,483 459.5,484 1.618,485 5.336,486 0.191,487 0.008,488 0.069,489 0.051,490 0.044,491 0.028,492 0.019,493 0.015,494 0.01,495 0.012,496 0.448,497 0.63,498 0.989,499 242.084,500 0.023,501 -0.021,502 0.151,503 -0.017,504 -0.107,505 0.179,506 0.073,507 0.028,508 0.164,509 0.027,510 0.092,511 -0.055,512 0.011,513 -0.038,514 0.061,515 -0.034,516 0.107,517 -0.019,518 0.106,519 0.009,520 0.114,521 0.106,522 0.028,523 -0.019,524 0.033,525 -0.015,526 0.024,527 -0.112,528 -0.101,529 -0.177,530 -0.135,531 -0.09,532 -0.197,533 -0.09,534 -0.039,535 -0.064,536 -0.066,537 -0.067,538 -0.115,539 -0.098,540 -0.078,541 5.04,542 6.495,543 0.581,544 50.769,545 1.01,546 1.115,547 2.778,548 7.719,549 0.69,550 3.871,551 4.234,552 4.522,553 4.868,554 5.193,555 5.389,556 5.635,557 5.811,558 5.945,559 6.014,560 7.674,561 0.661,562 597.74,563 3.871,564 5.442,565 6.308,566 7.222,567 8.123,568 9.052,569 9.972,570 10.91,571 11.841,572 12.784,573 4.1,574 2,575 4,576 15,577 5,578 1,579 27,580 74,581 32,582 4,583 47,584 78,585 33,586 24,587 7,588 15,589 5,590 8,591 2,592 1,593 27,594 6,595 1,596 5,597 1,598 5,599 3,602 31,603 8,604 3,605 10,606 1,607 3,608 0.6,609 6,611 4,612 1,616 3,617 1,618 2,619 43,620 1,622 3,623 1,624 1,625 8.1,627 5,628 22.917,629 13.783,630 9.319,631 4.332,632 4.863,633 1.555,634 1.002,635 8.79,636 13.621,637 4.197,638 4.862,639 5.474,640 6.156,641 6.799,642 7.261,643 7.825,644 8.333,645 8.763,646 9.096,647 0.889,648 74,649 16.435,650 7.594,651 8.006,652 29.94,653 25.049,654 2.506,655 107.75,658 329.591,659 215.162,660 51.201,661 130.748,662 5.807,663 209.355,664 460.338,665 51.201,666 17.65,667 58.535,668 147.951,669 134.291,670 33.783,671 4.901,672 329.591,673 329.591,674 260.556,675 130.748,676 5.807,677 329.591,678 130.748,679 78.084,680 182.472,681 5.807,682 329.591,683 181.949,684 215.162,685 5.807,686 329.591,687 49.56,688 161.693,689 16.405,690 163.645,691 329.591,692 181.949,693 215.162,694 0.586,695 0.334,696 0.19,697 0.117,698 32,699 16,700 0.141,701 11,702 2,703 1.16,704 4.778,705 474.956,706 0.16,707 25,708 6.347}
{0 CHEMBL514692,1 0.922,2 -0.152,3 0.867,4 0.069,5 0.894,6 0.042,7 0.089,8 1.113,9 0.146,10 0.893,11 1.04,12 0.964,13 -0.013,14 -0.058,15 0.178,16 0.943,17 1.91,18 1.684,19 13.108,20 4.022,21 16.172,22 137.978,23 8.381,24 0.55,25 4.229,26 4.319,27 3.999,28 3.821,29 5.407,30 3.796,31 4.745,32 4.87,33 4.309,34 4.191,35 6.112,36 4.156,37 4.994,38 5.147,39 4.438,40 4.328,41 6.331,42 4.284,43 5.075,44 5.226,45 4.462,46 4.365,47 6.431,48 4.334,49 5.151,50 5.311,51 4.468,52 4.414,53 6.481,54 4.382,55 5.226,56 5.395,57 4.442,58 4.449,59 6.52,60 4.399,61 5.245,62 5.44,63 4.361,64 4.4,65 6.485,66 4.322,67 5.168,68 5.394,69 4.294,70 4.273,71 6.425,72 4.185,73 0.154,74 0.884,75 13.006,76 5.947,77 26.731,78 6.46,79 0.518,80 1.386,81 21.779,82 9.89,83 74.39,84 11.321,85 0.8,86 1.712,87 32.744,88 12.8,89 124.072,90 14.37,91 0.86,92 1.84,93 36.059,94 13.534,95 136.614,96 15.104,97 0.973,98 1.928,99 35.208,100 14.209,101 125.424,102 16.578,103 0.968,104 2.057,105 38.279,106 15.141,107 137.726,108 17.379,109 0.99,110 2.075,111 43.614,112 16.145,113 143.576,114 18.721,115 0.964,116 1.897,117 45.051,118 15.512,119 156.972,120 19.046,121 55,122 57,123 0.266,124 0.593,125 0.719,126 0.816,127 0.856,128 0.861,129 3.642,130 0.972,131 -2.99,132 -2.99,133 -2.89,134 43.5,135 1,136 1,139 2,141 13,142 3,143 2,146 2,149 14,150 1,151 8,153 4,154 14,156 2,157 12,158 2,159 3,160 10,161 4,162 10,163 3,164 7,166 4,167 12,169 4,170 13,172 1,173 13,175 1,176 5,177 15,179 1,180 14,182 1,183 3,184 10,186 2,187 1,188 12,190 1,191 3,193 8,195 2,197 3,198 8,199 1,200 2,201 1,202 4,203 1,204 9,206 2,207 2807,208 24.637,209 24.637,210 24.637,211 24.637,212 24.637,213 21.311,214 22.469,215 14.495,216 24.935,217 19.673,218 19.673,219 19.673,220 19.673,221 19.673,222 14.45,223 23.812,224 6.758,225 20.171,226 4.27,227 2.198,228 1.395,229 0.781,230 0.528,231 0.496,232 4.331,235 1030,236 4.899,237 86.316,238 360.868,239 164.802,241 1.793,242 61.688,243 0.75,244 0.5,245 0.67,246 0.5,248 0.67,249 1,250 0.58,251 81.5,252 485,253 4.853,254 4.689,255 7.306,256 4.418,257 3.44,258 4.818,259 2.014,260 12.907,261 3.371,262 4.848,263 3.855,264 7.249,265 4.307,266 3.387,267 4.701,268 0.98,269 12.495,270 3.087,271 4.048,272 3.581,273 6.183,274 3.701,275 2.685,276 3.493,277 0.878,278 8.815,279 2.714,280 3.966,281 3.403,282 6.084,283 3.584,284 2.619,285 3.46,286 0.522,287 8.658,288 2.538,289 3.777,290 2.889,291 5.373,292 3.371,293 2.389,294 3.246,295 6.854,296 2.325,297 3.634,298 2.837,299 5.288,300 3.251,301 2.251,302 3.077,303 6.257,304 2.232,305 3.471,306 2.593,307 5.188,308 2.974,309 1.981,310 2.719,311 5.995,312 1.965,313 3.374,314 2.157,315 4.856,316 2.932,317 1.933,318 2.659,319 5.068,320 1.917,321 2.996,322 2.02,323 4.642,324 2.584,325 1.609,326 2.168,327 4.675,328 1.56,329 2.883,330 1.838,331 3.848,332 2.453,333 1.454,334 2.043,335 3.18,336 1.451,337 2.718,338 1.535,339 3.767,340 2.244,341 1.255,342 1.766,343 2.849,344 1.235,345 2.693,346 1.434,347 3.629,348 2.177,349 1.183,350 1.736,351 2.742,352 1.171,353 2.5,354 1.354,355 3.529,356 2,357 1,358 1.5,359 2.136,360 1,361 2.5,362 1.145,363 3.26,364 2,365 1,366 1.5,367 2.136,368 1,369 2.364,370 1,371 3.247,372 1.905,373 0.887,374 1.146,375 2.049,376 0.891,377 17.533,378 0.474,379 1.034,380 0.028,381 51,382 1.378,383 28,384 0.757,385 23,386 0.622,387 31.533,388 0.852,389 39.467,390 0.637,391 47.916,392 1.295,393 10.265,394 0.277,395 7.459,396 0.202,397 0.146,398 0.048,399 0.308,400 0.604,401 1.194,402 0.779,403 1.135,404 0.633,405 0.652,406 1.088,407 0.823,408 0.997,409 0.539,410 0.94,411 0.901,412 1.047,413 0.958,414 1.016,415 0.847,416 0.942,417 0.991,418 1.11,419 1.051,420 0.875,421 1.007,422 0.977,423 0.855,424 0.998,425 1.005,426 1.201,427 1.051,428 0.969,429 0.971,430 1.108,431 1.084,432 1.215,433 1.003,434 1.043,435 0.99,436 1.113,437 1.075,438 0.992,439 0.947,440 0.885,441 7.5,442 0.35,443 4.444,444 3.549,445 2.793,446 1.89,447 0.961,448 0.907,449 0.54,450 0.46,451 19359,452 61296,453 2.016,454 40.3,455 3,456 17,458 3,459 2,461 1.786,462 1.858,463 3.615,464 0.809,467 104.417,468 1.684,469 3.757,470 4.559,471 5.173,472 5.426,473 5.458,474 3.06,475 4.723,476 5.178,477 3.807,478 2535.54,479 9.144,480 40407.5,483 369.16,484 1.621,485 5.118,486 0.188,487 0.009,488 0.078,489 0.057,490 0.043,491 0.028,492 0.015,493 0.016,494 0.011,495 0.01,496 0.455,497 0.88,498 0.964,499 201.807,500 0.011,501 -0.044,502 0.158,503 -0.035,504 -0.112,505 0.166,506 0.055,507 -0.001,508 0.152,509 -0.006,510 0.068,511 -0.011,512 0.032,513 0.003,514 0.055,515 0.013,516 0.032,517 -0.072,518 -0.073,519 -0.116,520 0.072,521 -0.066,522 0.057,523 -0.033,524 -0.065,525 -0.016,526 -0.067,527 -0.134,528 -0.076,529 -0.135,530 -0.08,531 -0.112,532 -0.146,533 -0.045,534 -0.096,535 -0.051,536 -0.132,537 -0.099,538 0.01,539 0.007,540 0.028,541 4.996,542 5.937,543 0.568,544 42.387,545 1.017,546 1.117,547 1.762,548 3.103,549 0.69,550 3.714,551 4.06,552 4.344,553 4.644,554 4.898,555 4.99,556 5.124,557 5.231,558 5.303,559 5.328,560 7.6,561 0.667,562 519.62,563 3.714,564 5.273,565 6.133,566 7.036,567 7.926,568 8.84,569 9.744,570 10.665,571 11.577,572 12.502,573 4.8,574 2,575 2,576 13,577 5,578 1,579 22,580 62,581 27,582 3,583 40,584 65,585 27,586 20,587 5,588 13,589 4,590 5,591 1,592 1,593 23,594 4,596 5,597 1,598 5,599 3,602 25,603 8,604 3,605 10,606 1,607 3,608 0.75,609 6,611 3,616 3,617 1,618 1,619 37,620 1,622 3,623 1,625 9.7,627 5,628 19.917,629 11.283,630 8.181,631 3.596,632 3.817,633 1.474,634 0.996,635 7.888,636 11.877,637 4.043,638 4.684,639 5.261,640 5.879,641 6.429,642 6.733,643 7.153,644 7.53,645 7.804,646 8.074,647 0.889,648 62,649 14.143,650 6.53,651 8.124,652 25.403,653 20.899,654 2.624,655 97.083,658 258.964,659 182.238,660 51.201,661 130.748,662 5.807,663 176.431,664 389.712,665 51.201,666 8.825,667 58.535,668 128.999,669 134.291,670 28.637,671 4.901,672 258.964,673 258.964,674 227.632,675 130.748,676 5.807,677 258.964,678 130.748,679 69.259,680 158.373,681 5.807,682 258.964,683 181.949,684 182.238,685 5.807,686 258.964,687 44.415,688 133.916,689 16.405,690 163.645,691 258.964,692 181.949,693 182.238,694 0.582,695 0.345,696 0.192,697 0.111,698 26,699 13,700 0.154,701 10,702 1,703 1.095,704 4.47,705 366.297,706 0.095,707 21,708 5.796}
{0 CHEMBL514705,1 1.113,2 -0.063,3 1.223,4 0.061,5 1.16,6 0.052,7 -0.191,8 0.893,9 -0.218,10 0.899,11 0.999,12 0.967,13 0.024,14 0.089,15 -0.211,16 2.818,17 2.038,18 1.504,19 9.118,20 4.883,21 23.842,22 128.439,23 7.642,24 0.568,25 4.185,26 4.287,27 3.759,28 3.753,29 5.37,30 3.737,31 4.701,32 4.847,33 4.141,34 4.149,35 5.925,36 4.116,37 4.971,38 5.136,39 4.265,40 4.322,41 6.216,42 4.268,43 5.09,44 5.293,45 4.357,46 4.409,47 6.103,48 4.353,49 5.139,50 5.295,51 4.527,52 4.529,53 6.302,54 4.499,55 5.339,56 5.488,57 4.592,58 4.673,59 6.553,60 4.621,61 5.479,62 5.667,63 4.604,64 4.703,65 6.708,66 4.637,67 5.509,68 5.719,69 4.411,70 4.607,71 6.795,72 4.508,73 0.072,74 0.8,75 11.449,76 5.659,77 17.379,78 6.841,79 0.303,80 1.294,81 21.364,82 9.506,83 59.514,84 12.02,85 0.661,86 1.643,87 29.854,88 12.25,89 109.402,90 15.626,91 0.413,92 1.879,93 34.742,94 13.866,95 55.995,96 18.569,97 0.488,98 2.009,99 34.013,100 14.116,101 60.199,102 17.784,103 0.654,104 2.344,105 42.168,106 17.646,107 102.958,108 21.492,109 0.749,110 2.603,111 52.183,112 20.5,113 135.273,114 25.878,115 1.052,116 2.615,117 56.664,118 20.527,119 204.946,120 26.255,121 69,122 53,123 0.24,124 0.603,125 0.746,126 0.818,127 0.849,128 0.855,129 3.562,130 0.898,131 -4.01,132 -3.96,133 -3.75,134 45,135 2,136 1,137 1,139 2,141 10,142 5,143 1,146 2,147 1,148 1,149 17,151 8,152 1,153 2,154 20,156 2,157 9,158 2,159 1,160 14,161 2,162 11,163 1,164 13,165 2,166 2,167 11,169 3,170 20,171 2,172 1,173 13,174 1,175 1,176 5,177 27,178 2,179 1,180 15,181 1,182 1,183 7,184 30,185 3,186 5,187 1,188 12,189 1,190 1,191 7,192 1,193 20,194 3,195 4,196 1,197 1,198 8,199 1,200 2,201 1,202 6,203 1,204 9,205 4,206 3,207 1980,208 22.535,209 22.535,210 22.535,211 22.535,212 22.535,213 19.645,214 19.408,215 13.371,216 22.693,217 18.3,218 18.3,219 18.3,220 18.3,221 18.3,222 13.765,223 21.95,224 6.401,225 18.563,226 4.403,227 2.134,228 1.239,229 0.785,230 0.592,231 0.558,232 4.253,234 1,235 650,236 4.528,237 57.96,238 236.434,239 107.57,240 127.421,241 1.256,242 45.133,243 1,244 0.83,245 0.83,246 0.8,247 0.5,248 1,249 1,250 0.85,251 74,252 310,253 4.933,254 3.86,255 7.348,256 4.484,257 3.506,258 5.001,259 2.423,260 13.319,261 3.434,262 4.312,263 3.631,264 6.509,265 3.899,266 2.89,267 4.05,268 0.98,269 10.077,270 2.916,271 4.004,272 3.467,273 6.121,274 3.644,275 2.666,276 3.503,277 0.922,278 8.84,279 2.61,280 3.848,281 2.957,282 5.871,283 3.443,284 2.447,285 3.299,286 0.522,287 7.811,288 2.445,289 3.792,290 2.87,291 5.402,292 3.399,293 2.419,294 3.249,295 6.903,296 2.344,297 3.522,298 2.652,299 5.337,300 3.195,301 2.203,302 2.722,303 6.477,304 2.165,305 3.416,306 2.626,307 4.93,308 3.107,309 2.118,310 2.688,311 5.233,312 2.074,313 3.073,314 2.25,315 4.623,316 2.779,317 1.782,318 2.274,319 4.816,320 1.773,321 3.038,322 1.838,323 4.604,324 2.641,325 1.659,326 2.118,327 4.738,328 1.621,329 2.9,330 1.804,331 4.067,332 2.432,333 1.434,334 2.041,335 3.126,336 1.431,337 2.804,338 1.559,339 3.69,340 2.347,341 1.357,342 1.894,343 3.087,344 1.337,345 2.515,346 1.466,347 3.655,348 2.072,349 1.098,350 1.517,351 2.865,352 1.064,353 2.5,354 1.272,355 3.535,356 2,357 1,358 1.5,359 2.136,360 1,361 2.366,362 1.053,363 3.247,364 1.829,365 0.785,366 1.089,367 1.903,368 0.804,369 1.794,370 1,371 3.22,372 1.439,373 0.515,374 0.624,375 1.2,376 0.468,377 15.967,378 0.47,379 0.984,380 0.029,381 44,382 1.294,383 23,384 0.676,385 21,386 0.618,387 32.652,388 0.96,389 36.233,390 0.604,391 40.513,392 1.192,393 8.801,394 0.259,395 7.473,396 0.22,397 0.171,399 0.401,400 0.744,401 1.096,402 0.775,403 0.988,404 0.677,405 0.643,406 1.046,407 0.763,408 0.965,409 0.447,410 0.899,411 0.738,412 1.049,413 0.924,414 0.983,415 0.693,416 0.99,417 0.631,418 0.999,419 0.722,420 0.53,421 0.833,422 0.816,423 0.852,424 0.704,425 0.913,426 1.086,427 1.139,428 1.129,429 1.168,430 1.017,431 1.158,432 1.077,433 1.094,434 1.04,435 1.112,436 1.157,437 1.08,438 1.193,439 1.19,440 1.19,441 6.5,442 0.078,443 3.111,444 2.736,445 3.074,446 2.224,447 1.651,448 1.268,449 0.56,450 0.353,451 12644,452 37428,453 2.025,454 43.3,455 7,456 14,458 3,459 2,461 1.776,462 1.855,463 3.073,464 0.782,467 90.21,468 1.504,469 3.773,470 4.668,471 5.122,472 5.315,473 5.348,474 2.598,475 4.793,476 5.054,477 3.276,478 1837.66,479 8.962,480 26698.3,483 354.413,484 1.527,485 4.996,486 0.176,487 0.006,488 0.059,489 0.047,490 0.047,491 0.029,492 0.021,493 0.016,494 0.009,495 0.01,496 0.42,497 1,498 1.387,499 174.845,500 -0.067,501 0.028,502 0.018,503 0.049,504 -0.088,505 0.107,506 0.1,507 0.055,508 0.154,509 0.072,510 0.153,511 -0.013,512 -0.011,513 0.019,514 0.11,515 -0.022,516 0.074,517 0.038,518 0.206,519 0.102,520 0.036,521 0.164,522 0.029,523 0.039,524 0.024,525 0.017,526 0.037,527 -0.087,528 -0.105,529 -0.219,530 -0.168,531 -0.081,532 -0.209,533 -0.112,534 -0.074,535 -0.119,536 -0.07,537 -0.104,538 -0.081,539 -0.151,540 -0.033,541 2.81,542 6.193,543 0.559,544 31.927,545 1.007,546 1.117,547 2.782,548 7.738,549 0.674,550 3.638,551 3.989,552 4.29,553 4.673,554 5.05,555 5.288,556 5.541,557 5.72,558 5.814,559 5.814,560 5.854,561 0.649,562 458.55,563 3.638,564 5.198,565 6.066,566 6.982,567 7.895,568 8.831,569 9.766,570 10.714,571 11.661,572 12.614,573 3.3,574 1,575 4,576 10,577 4,578 1,579 21,580 60,581 24,582 3,583 37,584 63,585 27,586 18,587 6,588 10,589 4,590 7,591 2,592 1,593 21,594 6,595 1,596 3,598 3,599 3,602 26,603 6,604 3,605 7,607 2,608 0.5,609 5,611 3,612 1,614 1,615 1,616 2,618 2,619 34,621 1,622 3,624 1,625 8.3,626 1,627 3,628 18.333,629 11.317,630 7.444,631 3.569,632 4.284,633 1.524,634 0.971,635 6.826,636 12.453,637 3.942,638 4.593,639 5.251,640 5.973,641 6.669,642 7.19,643 7.769,644 8.305,645 8.724,646 9.042,647 1,648 58,649 12.683,650 5.556,651 7.99,652 23.605,653 19.521,654 2.49,655 84.667,657 1,658 270.735,659 156.628,660 34.796,661 129.118,663 156.628,664 399.853,665 34.796,666 17.65,667 42.13,668 94.762,669 128.866,670 32.232,671 4.901,672 270.735,673 270.735,674 191.424,675 129.118,677 270.735,678 129.118,679 61.679,680 129.745,682 270.735,683 163.914,684 156.628,686 270.735,687 44.215,688 114.312,690 162.015,691 270.735,692 163.914,693 156.628,694 0.581,695 0.324,696 0.188,697 0.128,698 25,699 13,700 0.143,701 9,702 2,703 1.211,704 4.048,705 348.022,706 0.211,707 19,708 6.886}
{0 CHEMBL514841,1 0.955,2 -0.186,3 1.008,4 0.062,5 1,6 0.042,7 -0.009,8 1.038,9 0.024,10 0.88,11 1.065,12 1.051,13 0.083,14 -0.044,15 0.047,16 3.523,17 2.117,18 1.459,19 8.138,20 4.505,21 20.298,22 113.055,23 7.578,24 0.656,25 4.025,26 4.131,27 3.607,28 3.622,29 5.18,30 3.599,31 4.535,32 4.686,33 3.978,34 4.015,35 5.665,36 3.978,37 4.758,38 4.92,39 4.141,40 4.182,41 5.965,42 4.137,43 4.883,44 5.048,45 4.231,46 4.279,47 5.958,48 4.232,49 5.019,50 5.189,51 4.328,52 4.378,53 6.158,54 4.328,55 5.149,56 5.321,57 4.297,58 4.439,59 6.341,60 4.368,61 5.192,62 5.399,63 4.111,64 4.397,65 6.336,66 4.281,67 5.142,68 5.416,69 3.802,70 4.179,71 6.194,72 4.014,73 0.02,74 0.679,75 9.716,76 4.687,77 9.579,78 5.843,79 0.161,80 1.1,81 18.169,82 7.904,83 28.606,84 10.065,85 0.282,86 1.363,87 23.341,88 9.888,89 64.603,90 12.751,91 0.24,92 1.563,93 26.346,94 10.941,95 28.622,96 14.112,97 0.347,98 1.751,99 30.94,100 12.841,101 46.251,102 16.434,103 0.553,104 1.929,105 36.518,106 14.358,107 83.523,108 17.733,109 0.439,110 1.983,111 39.87,112 15.691,113 94.46,114 19.996,115 0.418,116 1.851,117 41.797,118 15.514,119 95.523,120 21.279,121 36,122 46,123 0.241,124 0.586,125 0.728,126 0.817,127 0.854,128 0.861,129 3.41,130 0.896,131 -4.19,132 -4.13,133 -3.91,134 47.1,135 1,136 1,138 1,139 1,141 10,142 5,143 1,146 1,149 15,151 8,153 1,154 17,156 1,157 9,158 1,159 1,160 14,161 2,162 9,163 1,164 11,166 2,167 9,169 1,170 18,172 1,173 9,175 1,176 3,177 23,180 9,183 3,184 20,186 3,188 9,191 4,193 12,195 4,198 5,202 3,204 5,206 3,207 1252,208 19.845,209 19.845,210 19.845,211 19.845,212 19.845,213 17.162,214 17.812,215 11.594,216 20.057,217 15.672,218 15.672,219 15.672,220 15.672,221 15.672,222 11.403,223 20.71,224 5.306,225 15.921,226 4.214,227 2.126,228 1.262,229 0.728,230 0.5,231 0.461,232 4.104,234 1,235 503,236 3.674,237 47.324,238 191.969,239 86.055,240 101.085,241 1.118,242 29.069,243 1,244 1,245 1,246 0.6,247 0.5,248 1,249 1,250 0.87,251 62,252 236,253 4.932,254 3.859,255 7.345,256 4.48,257 3.502,258 5,259 0.98,260 13.303,261 3.43,262 4.309,263 3.47,264 6.507,265 3.894,266 2.883,267 4.049,268 0.86,269 10.057,270 2.914,271 4,272 2.945,273 6.106,274 3.633,275 2.654,276 3.502,277 0.522,278 8.763,279 2.599,280 3.843,281 2.87,282 5.867,283 3.429,284 2.422,285 3.295,287 7.777,288 2.433,289 3.771,290 2.644,291 5.366,292 3.338,293 2.374,294 3.241,295 6.873,296 2.271,297 3.354,298 2.594,299 5.332,300 2.923,301 1.932,302 2.683,303 6.217,304 1.911,305 3.073,306 2.058,307 4.9,308 2.647,309 1.668,310 2.276,311 4.848,312 1.626,313 2.907,314 1.799,315 4.118,316 2.443,317 1.443,318 2.086,319 3.171,320 1.442,321 2.815,322 1.513,323 3.748,324 2.362,325 1.372,326 1.903,327 3.087,328 1.352,329 2.559,330 1.461,331 3.657,332 2.136,333 1.158,334 1.58,335 2.878,336 1.129,337 2.5,338 1.268,339 3.553,340 2,341 1,342 1.5,343 2.136,344 1,345 2.386,346 1,347 3.247,348 1.886,349 0.866,350 1.148,351 1.994,352 0.869,353 1.762,354 0.879,355 3.233,356 1.465,357 0.473,358 0.587,359 0.901,360 0.456,361 1.593,362 0.724,363 2.847,364 1.288,365 0.347,366 0.424,367 0.563,368 0.329,369 1.23,370 0.222,371 2.785,372 0.933,373 -0.043,374 -0.053,375 -0.097,376 -0.042,377 13.8,378 0.476,379 0.696,380 0.024,381 39.5,382 1.362,383 21.5,384 0.741,385 18,386 0.621,387 24.386,388 0.841,389 30,390 0.588,391 33.032,392 1.139,393 8.007,394 0.276,395 6.055,396 0.209,397 0.15,399 0.391,400 0.719,401 1.082,402 0.766,403 0.964,404 0.631,405 0.838,406 0.963,407 0.78,408 0.862,409 0.54,410 0.82,411 0.766,412 1.038,413 0.811,414 0.936,415 0.633,416 0.889,417 0.861,418 1.112,419 0.91,420 0.779,421 0.985,422 0.892,423 0.91,424 0.858,425 0.993,426 1.363,427 1.038,428 1.216,429 1.085,430 1.274,431 1.121,432 1.3,433 1.1,434 1.273,435 1.168,436 1.368,437 1.213,438 0.962,439 1.112,440 1.013,441 4.5,442 0.037,443 2.889,444 2.736,445 2.914,446 1.925,447 1.08,448 0.596,449 0.292,450 0.139,451 8489,452 22876,453 2.07,454 43.1,455 3,456 15,458 2,459 2,461 1.734,462 1.912,463 2.966,464 0.16,467 74.392,468 1.459,469 3.547,470 4.411,471 4.945,472 5.172,473 5.211,474 2.388,475 4.418,476 4.827,477 3.135,478 1272.98,479 8.491,480 16396.4,481 1,483 289.294,484 1.487,485 4.777,486 0.141,487 0.009,488 0.063,489 0.052,490 0.051,491 0.031,492 0.019,493 0.013,494 0.009,495 0.009,496 0.396,497 1,498 1.111,499 141.223,500 -0.04,501 0.006,502 0.037,503 0.024,504 -0.076,505 0.008,506 0.103,507 0.123,508 0.071,509 0.125,510 0.127,511 -0.006,512 0.095,513 0.045,514 0.199,515 0.06,516 0.042,517 -0.058,518 -0.003,519 -0.072,520 -0.026,521 -0.049,522 0.104,523 0.02,524 -0.077,525 0.042,526 -0.047,527 -0.106,528 -0.038,529 -0.251,530 -0.118,531 -0.08,532 -0.19,533 -0.143,534 -0.285,535 -0.186,536 -0.152,537 -0.241,538 -0.028,539 -0.043,540 -0.02,541 2.631,542 5.865,543 0.655,544 23.615,545 1,546 1.113,547 2.959,548 8.755,549 0.686,550 3.497,551 3.85,552 4.22,553 4.595,554 4.949,555 5.147,556 5.338,557 5.489,558 5.561,559 5.521,560 5.262,561 0.656,562 386.48,563 3.497,564 5.056,565 5.948,566 6.87,567 7.798,568 8.737,569 9.679,570 10.628,571 11.577,572 12.529,573 3.9,574 1,575 4,576 10,577 4,578 1,579 21,580 51,581 23,582 3,583 32,584 54,585 24,586 18,587 6,588 10,589 4,590 7,591 1,592 1,593 20,594 4,596 2,598 2,599 2,601 1,602 22,603 4,604 2,605 5,607 2,608 0.5,609 3,611 3,612 1,616 2,618 2,619 29,622 2,625 5.9,627 2,628 15.167,629 9.867,630 6.528,631 3.103,632 4.259,633 1.541,634 1.014,635 5.121,636 12.133,637 3.818,638 4.497,639 5.219,640 5.942,641 6.629,642 7.129,643 7.68,644 8.201,645 8.608,646 8.904,647 1,648 53,649 10.762,650 4.664,651 7.816,652 20.362,653 16.866,654 2.316,655 67.167,656 1,657 1,658 235.422,659 153.183,660 34.796,661 61.29,663 153.183,664 296.712,665 34.796,666 19.708,667 37.537,668 94.762,669 60.128,670 32.232,671 4.901,672 235.422,673 235.422,674 187.98,675 61.29,677 235.422,678 61.29,679 48.262,680 139.718,682 235.422,683 96.086,684 153.183,686 235.422,687 38.713,688 116.37,690 94.187,691 235.422,692 96.086,693 153.183,694 0.577,695 0.36,696 0.213,697 0.135,698 23,699 11,700 0.111,701 6,702 2,703 1.211,704 3.727,705 281.843,706 0.211,707 19,708 5.796}
{0 CHEMBL515637,1 1.058,2 -0.085,3 0.976,4 0.062,5 1.09,6 0.058,7 -0.103,8 1.007,9 -0.025,10 0.854,11 1.074,12 1.061,13 0.012,14 -0.04,15 0.078,16 2.794,17 1.997,18 1.536,19 9.063,20 4.175,21 17.429,22 119.29,23 7.972,24 0.6,25 4.093,26 4.189,27 3.703,28 3.666,29 5.314,30 3.661,31 4.593,32 4.725,33 4.083,34 4.055,35 5.871,36 4.035,37 4.846,38 4.999,39 4.22,40 4.216,41 6.15,42 4.183,43 4.926,44 5.088,45 4.296,46 4.315,47 6.024,48 4.278,49 5.061,50 5.218,51 4.432,52 4.431,53 6.256,54 4.398,55 5.22,56 5.376,57 4.461,58 4.515,59 6.472,60 4.473,61 5.287,62 5.47,63 4.393,64 4.503,65 6.533,66 4.435,67 5.277,68 5.508,69 4.217,70 4.334,71 6.587,72 4.243,73 0.095,74 0.719,75 9.524,76 4.942,77 18.266,78 5.692,79 0.324,80 1.154,81 17.775,82 8.239,83 56.61,84 9.973,85 0.69,86 1.444,87 25.104,88 10.465,89 109.238,90 12.755,91 0.397,92 1.621,93 26.237,94 11.375,95 46.707,96 14.187,97 0.496,98 1.818,99 30.168,100 13.268,101 63.301,102 16.296,103 0.788,104 2.048,105 36.99,106 15.155,107 114.662,108 17.731,109 0.76,110 2.156,111 41.569,112 16.689,113 116.107,114 20.367,115 0.888,116 2.065,117 46.064,118 16.843,119 167.174,120 21.97,121 51,122 50,123 0.25,124 0.616,125 0.752,126 0.834,127 0.869,128 0.875,129 3.504,130 0.875,131 -3.61,132 -3.58,133 -3.41,134 46.3,135 1,136 1,139 2,141 10,142 5,143 1,146 2,147 1,148 1,149 15,151 8,152 1,153 2,154 17,156 2,157 9,158 2,159 1,160 14,161 2,162 9,163 1,164 11,165 2,166 2,167 11,169 3,170 18,171 2,172 1,173 11,174 1,175 1,176 5,177 23,178 2,179 1,180 11,181 1,182 1,183 5,184 20,185 3,186 3,187 1,188 12,189 1,190 1,191 7,192 1,193 12,194 3,195 4,196 1,197 1,198 8,199 1,200 2,201 1,202 6,203 1,204 5,205 2,206 3,207 1702,208 21.543,209 21.543,210 21.543,211 21.543,212 21.543,213 18.654,214 19.408,215 12.708,216 21.701,217 17.228,218 17.228,219 17.228,220 17.228,221 17.228,222 12.66,223 21.95,224 5.958,225 17.494,226 4.219,227 1.972,228 1.14,229 0.636,230 0.421,231 0.384,232 4.196,234 1,235 612,236 4.183,237 53.465,238 219.683,239 99.116,240 117.096,241 1.266,242 43.55,243 1,244 1,245 1,246 0.6,247 0.5,248 1,249 1,250 0.87,251 70,252 290,253 4.932,254 3.859,255 7.345,256 4.481,257 3.503,258 5,259 2.423,260 13.306,261 3.431,262 4.309,263 3.631,264 6.507,265 3.895,266 2.884,267 4.049,268 0.98,269 10.057,270 2.914,271 4.002,272 3.464,273 6.11,274 3.635,275 2.658,276 3.502,277 0.922,278 8.792,279 2.599,280 3.847,281 2.944,282 5.871,283 3.438,284 2.447,285 3.297,286 0.522,287 7.808,288 2.435,289 3.786,290 2.87,291 5.367,292 3.371,293 2.393,294 3.248,295 6.881,296 2.301,297 3.519,298 2.65,299 5.336,300 3.141,301 2.148,302 2.698,303 6.241,304 2.105,305 3.354,306 2.595,307 4.929,308 2.922,309 1.93,310 2.678,311 5.232,312 1.91,313 3.071,314 2.062,315 4.622,316 2.642,317 1.66,318 2.274,319 4.765,320 1.623,321 2.907,322 1.836,323 4.115,324 2.443,325 1.443,326 2.085,327 3.207,328 1.442,329 2.814,330 1.576,331 3.75,332 2.359,333 1.367,334 1.9,335 3.093,336 1.349,337 2.559,338 1.469,339 3.658,340 2.135,341 1.155,342 1.578,343 2.885,344 1.128,345 2.5,346 1.288,347 3.555,348 2,349 1,350 1.5,351 2.136,352 1,353 2.388,354 1.118,355 3.247,356 1.888,357 0.87,358 1.151,359 2.024,360 0.871,361 1.813,362 1,363 3.242,364 1.483,365 0.532,366 0.649,367 1.216,368 0.492,369 1.698,370 0.745,371 2.955,372 1.391,373 0.385,374 0.49,375 0.735,376 0.387,377 14.967,378 0.468,379 0.84,380 0.026,381 43,382 1.344,383 23,384 0.719,385 20,386 0.625,387 27.592,388 0.862,389 33.633,390 0.623,391 38.66,392 1.208,393 8.801,394 0.275,395 6.617,396 0.207,397 0.149,399 0.394,400 0.75,401 1.066,402 0.74,403 0.947,404 0.677,405 0.661,406 1.045,407 0.755,408 0.956,409 0.463,410 0.889,411 0.767,412 0.977,413 0.868,414 0.888,415 0.715,416 0.899,417 0.71,418 1.078,419 0.854,420 0.588,421 0.964,422 0.739,423 0.851,424 0.684,425 0.993,426 1.143,427 1.047,428 1.127,429 1.074,430 1.063,431 1.091,432 1.058,433 1.107,434 1.134,435 1.166,436 1.103,437 1.169,438 0.919,439 0.993,440 1.056,441 5.5,442 0.078,443 3.111,444 2.736,445 2.994,446 1.952,447 1.298,448 1.03,449 0.493,450 0.211,451 11022,452 34522,453 2.045,454 40.7,455 3,456 14,458 3,459 2,461 1.76,462 1.882,463 3.086,464 0.822,466 1,467 82.95,468 1.536,469 3.783,470 4.614,471 5.119,472 5.334,473 5.371,474 2.621,475 4.515,476 4.966,477 3.274,478 1623.89,479 8.777,480 22495.2,481 1,483 310.764,484 1.505,485 4.914,486 0.157,487 0.008,488 0.062,489 0.049,490 0.049,491 0.028,492 0.019,493 0.017,494 0.01,495 0.008,496 0.406,497 1,498 1.335,499 161.679,500 -0.078,501 0.034,502 0.013,503 0.056,504 -0.094,505 0.094,506 0.079,507 0.041,508 0.139,509 0.053,510 0.146,511 0.052,512 0.033,513 0.098,514 0.11,515 0.049,516 0.013,517 -0.018,518 0.017,519 -0.024,520 -0.008,521 -0.007,522 0.06,523 0.031,524 -0.071,525 0.031,526 -0.034,527 -0.114,528 -0.039,529 -0.201,530 -0.095,531 -0.1,532 -0.151,533 -0.132,534 -0.17,535 -0.181,536 -0.102,537 -0.193,538 0.059,539 -0.133,540 0.087,541 2.812,542 5.971,543 0.594,544 29.613,545 1.013,546 1.115,547 2.376,548 5.646,549 0.683,550 3.584,551 3.932,552 4.263,553 4.635,554 4.997,555 5.215,556 5.442,557 5.631,558 5.714,559 5.68,560 5.725,561 0.665,562 430.49,563 3.584,564 5.142,565 6.019,566 6.934,567 7.852,568 8.787,569 9.724,570 10.67,571 11.617,572 12.569,573 3.7,574 1,575 4,576 10,577 4,578 1,579 21,580 54,581 24,582 3,583 35,584 57,585 25,586 18,587 6,588 10,589 4,590 7,591 1,592 1,593 21,594 4,596 3,598 3,599 3,601 1,602 22,603 6,604 3,605 7,607 2,608 0.5,609 5,611 3,612 1,614 1,615 1,616 2,618 1,619 32,621 1,622 3,625 9.3,626 1,627 3,628 17,629 9.983,630 7.111,631 3.236,632 4.299,633 1.533,634 0.985,635 6.085,636 12.364,637 3.902,638 4.562,639 5.24,640 5.958,641 6.65,642 7.161,643 7.728,644 8.265,645 8.677,646 8.978,647 1,648 56,649 11.917,650 5.241,651 8.042,652 22.032,653 18.166,654 2.542,655 81.333,657 1,658 223.651,659 147.803,660 34.796,661 129.118,663 147.803,664 352.769,665 34.796,666 8.825,667 42.13,668 94.762,669 128.866,670 32.232,671 4.901,672 223.651,673 223.651,674 182.599,675 129.118,677 223.651,678 129.118,679 52.854,680 129.745,682 223.651,683 163.914,684 147.803,686 223.651,687 44.215,688 105.487,690 162.015,691 223.651,692 163.914,693 147.803,694 0.578,695 0.339,696 0.196,697 0.128,698 24,699 12,700 0.14,701 8,702 2,703 1.211,704 3.946,705 319.288,706 0.211,707 19,708 6.77}
{0 CHEMBL517821,1 0.987,2 -0.169,3 0.922,4 0.067,5 1.018,6 0.037,7 -0.024,8 1.032,9 0.022,10 0.901,11 1.112,12 1.089,13 -0.023,14 -0.074,15 0.076,16 0.455,18 1.46,19 10.765,20 5.056,21 25.563,22 131.34,23 7.576,24 0.595,25 4.175,26 4.281,27 3.75,28 3.77,29 5.341,30 3.745,31 4.684,32 4.833,33 4.112,34 4.148,35 5.836,36 4.109,37 4.928,38 5.09,39 4.248,40 4.306,41 6.176,42 4.256,43 5.013,44 5.181,45 4.308,46 4.403,47 6.077,48 4.345,49 5.146,50 5.32,51 4.421,52 4.507,53 6.289,54 4.445,55 5.303,56 5.493,57 4.425,58 4.567,59 6.479,60 4.488,61 5.311,62 5.526,63 4.303,64 4.521,65 6.423,66 4.425,67 5.24,68 5.477,69 4.204,70 4.42,71 6.364,72 4.308,73 0.026,74 0.786,75 11.332,76 5.588,77 11.711,78 6.933,79 0.148,80 1.263,81 21.001,82 9.423,83 33.216,84 11.982,85 0.565,86 1.562,87 28.661,88 11.748,89 99.156,90 14.84,91 0.267,92 1.733,93 30.524,94 13.07,95 40.743,96 16.677,97 0.378,98 2.001,99 35.043,100 14.745,101 55.314,102 19.086,103 0.646,104 2.259,105 43.53,106 17.046,107 105.704,108 21.807,109 0.571,110 2.268,111 45.541,112 17.099,113 109.592,114 22.084,115 0.46,116 2.077,117 43.244,118 16.944,119 108.337,120 22.82,121 51,122 52,123 0.233,124 0.577,125 0.751,126 0.835,127 0.867,128 0.875,129 3.561,130 0.905,131 -3.7,132 -3.66,133 -3.49,134 46.7,135 2,136 2,139 1,141 11,142 5,143 1,144 1,145 1,146 1,149 18,151 7,153 1,154 21,156 3,157 8,158 1,159 1,160 22,161 1,162 6,163 1,164 22,166 2,167 10,169 1,170 23,172 2,173 13,175 1,176 3,177 23,180 9,183 2,184 18,186 2,187 1,188 12,191 2,193 16,195 2,197 1,198 12,199 1,200 1,202 4,204 11,206 4,207 2092,208 22.957,209 22.957,210 22.957,211 22.957,212 22.957,213 19.905,214 18.629,215 13.598,216 23.066,217 18.199,218 18.199,219 18.199,220 18.199,221 18.199,222 13.462,223 19.506,224 6.331,225 18.384,226 4.447,227 2.293,228 1.199,229 0.677,230 0.471,231 0.425,232 4.254,235 774,236 4.183,237 71.023,238 286.214,239 136.718,241 1.498,242 38.798,243 1,244 0.83,245 0.83,246 0.6,247 0.5,248 1,249 1,250 0.82,251 73,252 366,253 4.85,254 3.857,255 7.25,256 4.418,257 3.442,258 4.819,259 2.274,260 12.909,261 3.367,262 4.371,263 3.598,264 6.511,265 4.014,266 3.014,267 4.029,268 0.98,269 10.228,270 3.014,271 4.04,272 3.433,273 6.173,274 3.677,275 2.666,276 3.46,277 0.91,278 8.75,279 2.682,280 3.879,281 3.102,282 6.067,283 3.513,284 2.546,285 3.33,286 0.68,287 8.594,288 2.455,289 3.65,290 2.844,291 5.345,292 3.236,293 2.225,294 3.156,295 6.363,296 2.257,297 3.529,298 2.792,299 5.227,300 3.189,301 2.166,302 2.717,303 6.048,304 2.198,305 3.375,306 2.35,307 4.893,308 2.93,309 1.954,310 2.656,311 5.257,312 1.897,313 3.009,314 2.154,315 4.586,316 2.602,317 1.628,318 2.198,319 4.63,320 1.576,321 2.971,322 1.891,323 4.151,324 2.521,325 1.524,326 2.164,327 3.681,328 1.516,329 2.882,330 1.585,331 3.808,332 2.45,333 1.451,334 2.039,335 3.108,336 1.449,337 2.715,338 1.493,339 3.732,340 2.239,341 1.248,342 1.739,343 2.866,344 1.23,345 2.5,346 1.435,347 3.607,348 2,349 1,350 1.5,351 2.396,352 1,353 2.5,354 1.172,355 3.436,356 2,357 1,358 1.5,359 2.136,360 1,361 2.365,362 1,363 3.247,364 1.914,365 0.888,366 1.148,367 2.055,368 0.901,369 1.862,370 1,371 3.165,372 1.567,373 0.617,374 0.731,375 1.399,376 0.573,377 16.133,378 0.475,379 0.84,380 0.025,381 45.75,382 1.346,383 25,384 0.735,385 20.75,386 0.61,387 30.392,388 0.894,389 35.467,390 0.591,391 40.455,392 1.19,393 9.28,394 0.273,395 7.138,396 0.21,397 0.149,399 0.366,400 0.672,401 1.089,402 0.767,403 0.985,404 0.602,405 0.746,406 1.063,407 0.783,408 0.981,409 0.546,410 0.904,411 0.903,412 0.916,413 0.916,414 0.894,415 0.865,416 0.906,417 0.886,418 1.077,419 0.934,420 0.675,421 0.998,422 0.762,423 0.941,424 0.737,425 1.048,426 1.082,427 1.076,428 1.095,429 1.06,430 1.084,431 1.077,432 1.217,433 0.968,434 1.144,435 0.988,436 1.182,437 1.036,438 0.792,439 0.83,440 0.995,441 5.5,442 0.194,443 3.778,444 2.986,445 2.367,446 1.73,447 1.114,448 0.928,449 0.548,450 0.302,451 13926,452 39149,453 2.042,454 43.3,455 5,456 13,457 1,458 2,459 5,461 1.77,462 1.889,463 3.366,464 0.118,467 87.596,468 1.46,469 3.614,470 4.708,471 5.23,472 5.436,473 5.482,474 2.836,475 4.735,476 5.056,477 3.521,478 1975.5,479 8.93,480 28771.4,481 1,483 354.413,484 1.484,485 5.006,486 0.149,487 0.007,488 0.073,489 0.051,490 0.038,491 0.025,492 0.017,493 0.016,494 0.011,495 0.007,496 0.394,497 1,498 1.29,499 177.568,500 -0.034,501 0.005,502 0.032,503 0.021,504 -0.068,505 0.037,506 0.093,507 0.02,508 0.06,509 0.056,510 0.146,511 0.105,512 0.019,513 0.092,514 0.107,515 0.042,516 -0.029,517 -0.053,518 -0.025,519 -0.039,520 -0.027,521 -0.034,522 0.08,523 -0.026,524 -0.107,525 0.03,526 -0.088,527 -0.019,528 -0.071,529 -0.126,530 -0.085,531 -0.057,532 -0.119,533 0.033,534 -0.15,535 -0.019,536 -0.138,537 -0.067,538 0.062,539 -0.035,540 0.081,541 2.695,542 5.972,543 0.618,544 32.824,545 1.002,546 1.114,547 2.465,548 6.077,549 0.683,550 3.638,551 3.97,552 4.29,553 4.625,554 4.927,555 5.063,556 5.226,557 5.371,558 5.451,559 5.485,560 6.46,561 0.654,562 454.56,563 3.638,564 5.187,565 6.057,566 6.959,567 7.863,568 8.78,569 9.698,570 10.624,571 11.55,572 12.48,573 3.3,574 1,575 1,576 12,577 7,579 22,580 60,581 25,582 2,583 37,584 63,585 28,586 20,587 3,588 9,589 4,590 5,591 2,592 2,593 23,594 5,596 3,598 3,599 3,602 26,603 5,604 2,605 6,607 2,608 0.75,609 4,610 1,611 3,613 1,616 3,618 2,619 34,622 3,625 6.7,627 3,628 18,629 11.45,630 7.611,631 3.667,632 4.541,633 1.561,634 0.993,635 6.948,636 12.638,637 3.951,638 4.577,639 5.218,640 5.874,641 6.481,642 6.843,643 7.304,644 7.745,645 8.059,646 8.389,647 1,648 58,649 12.64,650 5.442,651 7.892,652 23.745,653 19.405,654 2.392,655 81.333,658 282.506,659 181.642,660 34.184,661 86.435,663 181.642,664 368.941,665 34.184,666 17.65,667 42.559,668 113.286,669 90.406,670 33.458,671 16.672,672 270.735,673 282.506,674 215.825,675 86.435,677 282.506,678 86.435,679 61.496,680 154.33,682 282.506,683 120.618,684 181.642,686 282.506,687 50.705,688 132.223,690 119.332,691 282.506,692 120.618,693 181.642,694 0.576,695 0.342,696 0.197,697 0.121,698 24,699 12,700 0.143,701 9,702 1,703 1.095,704 4.165,705 337.032,706 0.095,707 21,708 5.796}