"molecule_id","AAC","AECC","ALOGP","ALOGP2","AMR","AMW","ARR","ATS1e","ATS1i","ATS1m","ATS1p","ATS1s","ATS1v","ATS2e","ATS2i","ATS2m","ATS2p","ATS2s","ATS2v","ATS3e","ATS3i","ATS3m","ATS3p","ATS3s","ATS3v","ATS4e","ATS4i","ATS4m","ATS4p","ATS4s","ATS4v","ATS5e","ATS5i","ATS5m","ATS5p","ATS5s","ATS5v","ATS6e","ATS6i","ATS6m","ATS6p","ATS6s","ATS6v","ATS7e","ATS7i","ATS7m","ATS7p","ATS7s","ATS7v","ATS8e","ATS8i","ATS8m","ATS8p","ATS8s","ATS8v","ATSC1e","ATSC1i","ATSC1m","ATSC1p","ATSC1s","ATSC1v","ATSC2e","ATSC2i","ATSC2m","ATSC2p","ATSC2s","ATSC2v","ATSC3e","ATSC3i","ATSC3m","ATSC3p","ATSC3s","ATSC3v","ATSC4e","ATSC4i","ATSC4m","ATSC4p","ATSC4s","ATSC4v","ATSC5e","ATSC5i","ATSC5m","ATSC5p","ATSC5s","ATSC5v","ATSC6e","ATSC6i","ATSC6m","ATSC6p","ATSC6s","ATSC6v","ATSC7e","ATSC7i","ATSC7m","ATSC7p","ATSC7s","ATSC7v","ATSC8e","ATSC8i","ATSC8m","ATSC8p","ATSC8s","ATSC8v","BAC","BBI","BIC0","BIC1","BIC2","BIC3","BIC4","BIC5","BID","BLI","BLTA96","BLTD48","BLTF96","C.","C.002","C.003","C.005","C.006","C.008","C.024","C.025","C.026","CATS2D_01_LL","CATS2D_02_AL","CATS2D_02_DL","CATS2D_02_LL","CATS2D_03_AA","CATS2D_03_AL","CATS2D_03_DA","CATS2D_03_DL","CATS2D_03_LL","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_DA","CATS2D_04_DL","CATS2D_04_LL","CATS2D_05_AL","CATS2D_05_DL","CATS2D_05_LL","CATS2D_06_AL","CATS2D_06_DL","CATS2D_06_LL","CATS2D_07_AA","CATS2D_07_AL","CATS2D_07_DA","CATS2D_07_DL","CATS2D_07_LL","CATS2D_08_AA","CATS2D_08_AL","CATS2D_08_DA","CATS2D_08_LL","CATS2D_09_AA","CATS2D_09_AL","CATS2D_09_DA","CATS2D_09_LL","CENT","Chi0_AEA.bo.","Chi0_AEA.dm.","Chi0_AEA.ed.","Chi0_AEA.ri.","Chi0_EA","Chi0_EA.bo.","Chi0_EA.dm.","Chi0_EA.ed.","Chi0_EA.ri.","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.bo.","Chi1_EA.dm.","Chi1_EA.ed.","Chi1_EA.ri.","CIC0","CIC1","CIC2","CIC3","CIC4","CIC5","CID","Cl.089","CMC.80","CSI","DBI","D.Dtr05","D.Dtr06","D.Dtr07","D.Dtr10","DECC","DELS","DLS_01","DLS_03","DLS_04","DLS_05","DLS_06","DLS_cons","Dz","ECC","Eig01_AEA.bo.","Eig01_AEA.dm.","Eig01_AEA.ed.","Eig01_AEA.ri.","Eig01_EA","Eig01_EA.bo.","Eig01_EA.ed.","Eig01_EA.ri.","Eig02_AEA.bo.","Eig02_AEA.dm.","Eig02_AEA.ed.","Eig02_AEA.ri.","Eig02_EA","Eig02_EA.bo.","Eig02_EA.ed.","Eig02_EA.ri.","Eig03_AEA.bo.","Eig03_AEA.dm.","Eig03_AEA.ed.","Eig03_AEA.ri.","Eig03_EA","Eig03_EA.bo.","Eig03_EA.dm.","Eig03_EA.ed.","Eig03_EA.ri.","Eig04_AEA.bo.","Eig04_AEA.dm.","Eig04_AEA.ed.","Eig04_AEA.ri.","Eig04_EA","Eig04_EA.bo.","Eig04_EA.ed.","Eig04_EA.ri.","Eig05_AEA.bo.","Eig05_AEA.dm.","Eig05_AEA.ed.","Eig05_AEA.ri.","Eig05_EA","Eig05_EA.bo.","Eig05_EA.dm.","Eig05_EA.ed.","Eig05_EA.ri.","Eig06_AEA.bo.","Eig06_AEA.dm.","Eig06_AEA.ed.","Eig06_AEA.ri.","Eig06_EA","Eig06_EA.bo.","Eig06_EA.dm.","Eig06_EA.ed.","Eig06_EA.ri.","Eig07_AEA.bo.","Eig07_AEA.dm.","Eig07_AEA.ed.","Eig07_AEA.ri.","Eig07_EA","Eig07_EA.bo.","Eig07_EA.ed.","Eig07_EA.ri.","Eig08_AEA.bo.","Eig08_AEA.dm.","Eig08_AEA.ed.","Eig08_AEA.ri.","Eig08_EA","Eig08_EA.bo.","Eig08_EA.ed.","Eig08_EA.ri.","Eig09_AEA.bo.","Eig09_AEA.dm.","Eig09_AEA.ed.","Eig09_AEA.ri.","Eig09_EA","Eig09_EA.bo.","Eig09_EA.ed.","Eig09_EA.ri.","Eig10_AEA.bo.","Eig10_AEA.dm.","Eig10_AEA.ed.","Eig10_AEA.ri.","Eig10_EA","Eig10_EA.bo.","Eig10_EA.ed.","Eig10_EA.ri.","Eig11_AEA.bo.","Eig11_AEA.dm.","Eig11_AEA.ed.","Eig11_AEA.ri.","Eig11_EA","Eig11_EA.bo.","Eig11_EA.ed.","Eig11_EA.ri.","Eig12_AEA.bo.","Eig12_AEA.dm.","Eig12_AEA.ed.","Eig12_AEA.ri.","Eig12_EA","Eig12_EA.bo.","Eig12_EA.ed.","Eig12_EA.ri.","Eig13_AEA.bo.","Eig13_AEA.dm.","Eig13_AEA.ed.","Eig13_AEA.ri.","Eig13_EA","Eig13_EA.bo.","Eig13_EA.ed.","Eig13_EA.ri.","Eig14_AEA.bo.","Eig14_AEA.dm.","Eig14_AEA.ed.","Eig14_AEA.ri.","Eig14_EA","Eig14_EA.bo.","Eig14_EA.ed.","Eig14_EA.ri.","Eig15_AEA.bo.","Eig15_AEA.dm.","Eig15_AEA.ed.","Eig15_AEA.ri.","Eig15_EA","Eig15_EA.bo.","Eig15_EA.ed.","Eig15_EA.ri.","Eta_alpha","Eta_alpha_A","Eta_B","Eta_B_A","Eta_beta","Eta_beta_A","Eta_betaP","Eta_betaP_A","Eta_betaS","Eta_betaS_A","Eta_C","Eta_C_A","Eta_epsi","Eta_epsi_A","Eta_F","Eta_F_A","Eta_FL","Eta_FL_A","Eta_L","Eta_L_A","Eta_sh_p","Eta_sh_y","F.084","GATS1e","GATS1i","GATS1m","GATS1p","GATS1s","GATS1v","GATS2e","GATS2i","GATS2m","GATS2p","GATS2s","GATS2v","GATS3e","GATS3i","GATS3m","GATS3p","GATS3s","GATS3v","GATS4e","GATS4i","GATS4m","GATS4p","GATS4s","GATS4v","GATS5e","GATS5i","GATS5m","GATS5p","GATS5s","GATS5v","GATS6e","GATS6i","GATS6m","GATS6p","GATS6s","GATS6v","GATS7e","GATS7i","GATS7m","GATS7p","GATS7s","GATS7v","GATS8e","GATS8i","GATS8m","GATS8p","GATS8s","GATS8v","GGI1","GGI10","GGI2","GGI3","GGI4","GGI5","GGI6","GGI7","GGI8","GGI9","GMTI","GMTIV","GNar","H.","H.046","H.047","H.050","H.052","H.053","HDcpx","HNar","HVcpx","Hy","IAC","IC0","IC1","IC2","IC3","IC4","IC5","ICR","IDDE","IDDM","IDE","IDET","IDM","IDMT","Infective.80","ISIZ","IVDE","IVDM","JGI1","JGI10","JGI2","JGI3","JGI4","JGI5","JGI6","JGI7","JGI8","JGI9","JGT","LLS_02","LOC","LPRS","MATS1e","MATS1i","MATS1m","MATS1p","MATS1s","MATS1v","MATS2e","MATS2i","MATS2m","MATS2p","MATS2s","MATS2v","MATS3e","MATS3i","MATS3m","MATS3p","MATS3s","MATS3v","MATS4e","MATS4i","MATS4m","MATS4p","MATS4s","MATS4v","MATS5e","MATS5i","MATS5m","MATS5p","MATS5s","MATS5v","MATS6e","MATS6i","MATS6m","MATS6p","MATS6s","MATS6v","MATS7e","MATS7i","MATS7m","MATS7p","MATS7s","MATS7v","MATS8e","MATS8i","MATS8m","MATS8p","MATS8s","MATS8v","MAXDN","MAXDP","MCD","MDDD","Me","Mi","MLOGP","MLOGP2","Mp","MPC01","MPC02","MPC03","MPC04","MPC05","MPC06","MPC07","MPC08","MPC09","MPC10","MSD","Mv","MW","MWC01","MWC02","MWC03","MWC04","MWC05","MWC06","MWC07","MWC08","MWC09","MWC10","N.","N.070","N.073","NaaCH","NaasC","nAB","nArX","nAT","nBM","nBnz","nBO","nBT","nC","nCar","nCb.","nCbH","nCL","nCp","nCrs","nCrt","nCs","nCsp2","nCsp3","nCt","nF","nH","nHAcc","nHDon","nHet","nHM","nO","nOHp","nOHs","nPyrrolidines","nR05","nR06","nR07","nROH","nROR","NsCH3","NsCl","NsF","nSK","NsOH","NssCH2","NssO","NsssCH","nX","O.","O.056","O.059","ON0","ON0V","ON1","ON1V","PCD","PCR","PDI","PHI","piID","piPC01","piPC02","piPC03","piPC04","piPC05","piPC06","piPC07","piPC08","piPC09","piPC10","PJI2","Pol","Psi_e_0","Psi_e_1","Psi_e_A","Psi_i_0","Psi_i_1","Psi_i_A","Psi_i_s","Psychotic.80","P_VSA_e_1","P_VSA_e_2","P_VSA_e_4","P_VSA_e_5","P_VSA_e_6","P_VSA_i_2","P_VSA_i_3","P_VSA_i_4","P_VSA_LogP_1","P_VSA_LogP_2","P_VSA_LogP_3","P_VSA_LogP_4","P_VSA_LogP_5","P_VSA_LogP_6","P_VSA_LogP_7","P_VSA_LogP_8","P_VSA_m_1","P_VSA_m_2","P_VSA_m_3","P_VSA_m_4","P_VSA_MR_1","P_VSA_MR_2","P_VSA_MR_3","P_VSA_MR_5","P_VSA_MR_6","P_VSA_MR_7","P_VSA_p_1","P_VSA_p_2","P_VSA_p_3","P_VSA_s_2","P_VSA_s_3","P_VSA_s_4","P_VSA_s_6","P_VSA_v_1","P_VSA_v_2","P_VSA_v_3","PW2","PW3","PW4","PW5","Qindex","Ram","RBF","RBN","RCI","RDCHI","RDSQ","RFD","Rperim","S0K","S1K","S2K","S3K","SaaaC","SAacc","SaaCH","SaaN","SaasC","SAdon","SAtot","SCBO","Se","Si","SIC0","SIC1","SIC2","SIC3","SIC4","SIC5","SM02_AEA.bo.","SM02_AEA.dm.","SM02_AEA.ed.","SM02_AEA.ri.","SM02_EA","SM02_EA.bo.","SM02_EA.dm.","SM02_EA.ed.","SM02_EA.ri.","SM03_AEA.bo.","SM03_AEA.dm.","SM03_AEA.ed.","SM03_AEA.ri.","SM03_EA","SM03_EA.bo.","SM03_EA.ed.","SM03_EA.ri.","SM04_AEA.bo.","SM04_AEA.dm.","SM04_AEA.ed.","SM04_AEA.ri.","SM04_EA","SM04_EA.bo.","SM04_EA.dm.","SM04_EA.ed.","SM04_EA.ri.","SM05_AEA.bo.","SM05_AEA.dm.","SM05_AEA.ed.","SM05_AEA.ri.","SM05_EA","SM05_EA.bo.","SM05_EA.ed.","SM05_EA.ri.","SM06_AEA.bo.","SM06_AEA.dm.","SM06_AEA.ed.","SM06_AEA.ri.","SM06_EA","SM06_EA.bo.","SM06_EA.dm.","SM06_EA.ed.","SM06_EA.ri.","SM07_AEA.bo.","SM07_AEA.dm.","SM07_AEA.ed.","SM07_AEA.ri.","SM07_EA","SM07_EA.bo.","SM07_EA.ed.","SM07_EA.ri.","SM08_AEA.bo.","SM08_AEA.dm.","SM08_AEA.ed.","SM08_AEA.ri.","SM08_EA","SM08_EA.bo.","SM08_EA.dm.","SM08_EA.ed.","SM08_EA.ri.","SM09_AEA.bo.","SM09_AEA.dm.","SM09_AEA.ed.","SM09_AEA.ri.","SM09_EA","SM09_EA.bo.","SM09_EA.ed.","SM09_EA.ri.","SM10_AEA.bo.","SM10_AEA.dm.","SM10_AEA.ed.","SM10_AEA.ri.","SM10_EA","SM10_EA.bo.","SM10_EA.dm.","SM10_EA.ed.","SM10_EA.ri.","SM11_AEA.bo.","SM11_AEA.dm.","SM11_AEA.ed.","SM11_AEA.ri.","SM11_EA","SM11_EA.bo.","SM11_EA.ed.","SM11_EA.ri.","SM12_AEA.bo.","SM12_AEA.dm.","SM12_AEA.ed.","SM12_AEA.ri.","SM12_EA","SM12_EA.bo.","SM12_EA.dm.","SM12_EA.ed.","SM12_EA.ri.","SM13_AEA.bo.","SM13_AEA.dm.","SM13_AEA.ed.","SM13_AEA.ri.","SM13_EA","SM13_EA.bo.","SM13_EA.ed.","SM13_EA.ri.","SM14_AEA.bo.","SM14_AEA.dm.","SM14_AEA.ed.","SM14_AEA.ri.","SM14_EA","SM14_EA.bo.","SM14_EA.dm.","SM14_EA.ed.","SM14_EA.ri.","SM15_AEA.bo.","SM15_AEA.dm.","SM15_AEA.ed.","SM15_AEA.ri.","SM15_EA","SM15_EA.bo.","SM15_EA.ed.","SM15_EA.ri.","SMTI","SMTIV","SNar","Sp","SpAD_AEA.bo.","SpAD_AEA.dm.","SpAD_AEA.ed.","SpAD_AEA.ri.","SpAD_EA","SpAD_EA.bo.","SpAD_EA.dm.","SpAD_EA.ed.","SpAD_EA.ri.","SpDiam_AEA.bo.","SpDiam_AEA.dm.","SpDiam_AEA.ed.","SpDiam_AEA.ri.","SpDiam_EA","SpDiam_EA.bo.","SpDiam_EA.ed.","SpDiam_EA.ri.","SPI","SpMAD_AEA.bo.","SpMAD_AEA.dm.","SpMAD_AEA.ed.","SpMAD_AEA.ri.","SpMAD_EA","SpMAD_EA.bo.","SpMAD_EA.dm.","SpMAD_EA.ed.","SpMAD_EA.ri.","SpMax1_Bh.e.","SpMax1_Bh.i.","SpMax1_Bh.m.","SpMax1_Bh.p.","SpMax1_Bh.s.","SpMax1_Bh.v.","SpMax2_Bh.e.","SpMax2_Bh.i.","SpMax2_Bh.m.","SpMax2_Bh.p.","SpMax2_Bh.s.","SpMax2_Bh.v.","SpMax3_Bh.e.","SpMax3_Bh.i.","SpMax3_Bh.m.","SpMax3_Bh.p.","SpMax3_Bh.s.","SpMax3_Bh.v.","SpMax4_Bh.e.","SpMax4_Bh.i.","SpMax4_Bh.m.","SpMax4_Bh.p.","SpMax4_Bh.s.","SpMax4_Bh.v.","SpMax5_Bh.e.","SpMax5_Bh.i.","SpMax5_Bh.m.","SpMax5_Bh.p.","SpMax5_Bh.s.","SpMax5_Bh.v.","SpMax6_Bh.e.","SpMax6_Bh.i.","SpMax6_Bh.m.","SpMax6_Bh.p.","SpMax6_Bh.s.","SpMax6_Bh.v.","SpMax7_Bh.e.","SpMax7_Bh.i.","SpMax7_Bh.m.","SpMax7_Bh.p.","SpMax7_Bh.s.","SpMax7_Bh.v.","SpMax8_Bh.e.","SpMax8_Bh.i.","SpMax8_Bh.m.","SpMax8_Bh.p.","SpMax8_Bh.s.","SpMax8_Bh.v.","SpMaxA_AEA.bo.","SpMaxA_AEA.dm.","SpMaxA_AEA.ed.","SpMaxA_AEA.ri.","SpMaxA_EA","SpMax_AEA.bo.","SpMaxA_EA.bo.","SpMax_AEA.dm.","SpMaxA_EA.dm.","SpMax_AEA.ed.","SpMaxA_EA.ed.","SpMax_AEA.ri.","SpMaxA_EA.ri.","SpMax_EA","SpMax_EA.bo.","SpMax_EA.ed.","SpMax_EA.ri.","SpMin1_Bh.e.","SpMin1_Bh.i.","SpMin1_Bh.m.","SpMin1_Bh.p.","SpMin1_Bh.s.","SpMin1_Bh.v.","SpMin2_Bh.e.","SpMin2_Bh.i.","SpMin2_Bh.m.","SpMin2_Bh.p.","SpMin2_Bh.s.","SpMin2_Bh.v.","SpMin3_Bh.e.","SpMin3_Bh.i.","SpMin3_Bh.m.","SpMin3_Bh.p.","SpMin3_Bh.s.","SpMin3_Bh.v.","SpMin4_Bh.e.","SpMin4_Bh.i.","SpMin4_Bh.m.","SpMin4_Bh.p.","SpMin4_Bh.s.","SpMin4_Bh.v.","SpMin5_Bh.e.","SpMin5_Bh.i.","SpMin5_Bh.m.","SpMin5_Bh.p.","SpMin5_Bh.s.","SpMin5_Bh.v.","SpMin6_Bh.e.","SpMin6_Bh.i.","SpMin6_Bh.m.","SpMin6_Bh.p.","SpMin6_Bh.s.","SpMin6_Bh.v.","SpMin7_Bh.e.","SpMin7_Bh.i.","SpMin7_Bh.m.","SpMin7_Bh.p.","SpMin7_Bh.s.","SpMin7_Bh.v.","SpMin8_Bh.e.","SpMin8_Bh.i.","SpMin8_Bh.m.","SpMin8_Bh.p.","SpMin8_Bh.s.","SpMin8_Bh.v.","SRW02","SRW04","SRW05","SRW06","SRW07","SRW08","SRW09","SRW10","SsCH3","SsCl","SsF","SsOH","SssCH2","SssNH","SssO","SsssCH","SsssN","Sv","TIC0","TIC1","TIC2","TIC3","TIC4","TIC5","TIE","TPC","TPSA.NO.","TPSA.Tot.","TRS","TWC","Uc","Ui","Uindex","UNIP","VAR","Vindex","VvdwMG","VvdwZAZ","Vx","Wap","X.","X0","X0A","X0Av","X0sol","X0v","X1","X1A","X1Av","X1Kup","X1Mad","X1MulPer","X1Per","X1sol","X1v","X2","X2A","X2Av","X2sol","X2v","X3","X3A","X3Av","X3sol","X3v","X4","X4A","X4Av","X4sol","X4v","X5","X5A","X5Av","X5sol","X5v","Xindex","XMOD","Xt","Xu","Yindex","ZM1","ZM1Kup","ZM1Mad","ZM1MulPer","ZM1Per","ZM1V","ZM2","ZM2Kup","ZM2Mad","ZM2MulPer","ZM2Per","ZM2V","pXC50"
{1 1.582,2 11.606,3 5.364,4 28.772,5 132.697,6 7.429,7 0.459,8 4.247,9 4.37,10 3.825,11 3.757,12 5.247,13 3.735,14 4.833,15 5.023,16 4.2,17 4.171,18 5.773,19 4.125,20 5.08,21 5.303,22 4.272,23 4.33,24 5.97,25 4.248,26 5.136,27 5.377,28 4.213,29 4.33,30 6.013,31 4.233,32 5.17,33 5.421,34 4.193,35 4.335,36 6.021,37 4.231,38 5.131,39 5.385,40 4.169,41 4.317,42 5.979,43 4.206,44 5.077,45 5.326,46 4.187,47 4.273,48 5.954,49 4.181,50 5.027,51 5.244,52 4.188,53 4.248,54 5.951,55 4.166,56 0.011,57 0.941,58 13.6,59 5.68,60 8.945,61 7.762,62 0.349,63 1.544,64 28.019,65 9.608,66 28.241,67 13.322,68 0.415,69 1.88,70 38.679,71 12.225,72 36.417,73 17.77,74 0.475,75 1.955,76 40.909,77 12.965,78 43.323,79 18.929,80 0.589,81 1.973,82 41.568,83 13.336,84 48.06,85 19.743,86 0.525,87 1.929,88 40.296,89 13.182,90 41.599,91 19.526,92 0.429,93 1.826,94 38.108,95 11.917,96 40.836,97 17.745,98 0.41,99 1.709,100 35.978,101 11.446,102 40.095,103 16.035,104 14,105 52,106 0.254,107 0.553,108 0.711,109 0.786,110 0.791,111 0.797,112 3.532,113 0.971,114 -5.06,115 -4.96,116 -4.65,117 39.7,118 4,120 2,121 4,122 1,123 6,124 1,125 4,126 4,127 11,128 3,129 6,130 1,131 5,133 3,134 5,135 2,136 10,137 2,138 1,139 6,140 3,141 1,142 4,143 6,144 2,145 8,146 1,147 7,150 5,152 12,153 1,154 5,156 7,158 5,159 1993,160 22.859,161 22.859,162 22.859,163 22.859,164 22.859,165 20.875,166 37.678,167 13.346,168 23.725,169 18.166,170 18.166,171 18.166,172 18.166,173 18.166,174 15.002,175 60.223,176 6.207,177 19.473,178 4.395,179 2.525,180 1.54,181 1.072,182 1.04,183 1.008,184 4.242,185 1,187 842,188 2.915,189 94.287,190 369.206,192 148.771,193 1.739,194 23.645,195 1,196 1,197 1,198 0.5,199 1,200 0.9,201 70.833,202 383,203 4.611,204 3.327,205 6.628,206 4.14,207 3.184,208 4.549,209 10.706,210 3.048,211 4.098,212 3.167,213 6.189,214 3.843,215 2.904,216 3.642,217 9.207,218 2.728,219 4.011,220 3.049,221 6.098,222 3.681,223 2.754,224 3.551,225 0.8,226 8.912,227 2.553,228 3.881,229 2.956,230 5.981,231 3.582,232 2.645,233 3.117,234 8.456,235 2.467,236 3.731,237 2.813,238 5.482,239 3.415,240 2.481,241 2.863,242 0.4,243 7.285,244 2.308,245 3.495,246 2.459,247 5.148,248 3.043,249 2.14,250 2.819,252 6.2,253 1.91,254 3.302,255 2.224,256 4.856,257 2.866,258 1.905,259 2.611,260 5.527,261 1.831,262 2.999,263 1.973,264 4.646,265 2.818,266 1.878,267 2.062,268 4.971,269 1.695,270 2.812,271 1.903,272 4.46,273 2.47,274 1.555,275 1.875,276 4.338,277 1.414,278 2.543,279 1.554,280 4.256,281 2.296,282 1.381,283 1.547,284 3.763,285 1.255,286 2.5,287 1.077,288 3.504,289 2,290 1,291 1.5,292 2.275,293 1,294 2,295 1.074,296 3.414,297 1.984,298 1,299 1,300 2.275,301 0.983,302 1.961,303 1,304 3.414,305 1.815,306 0.863,307 0.908,308 2.046,309 0.818,310 1.831,311 0.994,312 3.266,313 1.602,314 0.701,315 0.791,316 1.592,317 0.624,318 1.618,319 0.941,320 3,321 1.591,322 0.618,323 0.618,324 1.372,325 0.6,326 15.881,327 0.481,328 0.704,329 0.021,330 40.75,331 1.235,332 18,333 0.545,334 22.75,335 0.689,336 32.458,337 0.984,338 36.319,339 0.576,340 30.721,341 0.931,342 7.669,343 0.232,344 8.47,345 0.257,346 0.108,347 0.334,349 0.856,350 1.533,351 0.69,352 1.155,353 0.706,354 1.015,355 1.162,356 1.039,357 0.785,358 0.856,359 0.772,360 0.864,361 0.971,362 1.192,363 0.93,364 0.999,365 0.774,366 0.978,367 0.922,368 1.059,369 0.899,370 0.987,371 0.934,372 0.989,373 0.875,374 1.032,375 0.742,376 0.902,377 0.843,378 0.932,379 0.688,380 0.999,381 0.781,382 0.922,383 0.715,384 0.944,385 0.884,386 1.015,387 0.76,388 0.879,389 0.856,390 0.891,391 1.393,392 1.028,393 0.966,394 0.958,395 1.319,396 1.002,397 6.5,398 0.284,399 3.778,400 1.528,401 2.103,402 1.236,403 0.933,404 0.617,405 0.423,406 0.311,407 15430,408 36812,409 2.15,410 47.6,412 21,413 1,414 4,415 4,416 1.758,417 2.041,418 3.495,419 -0.352,420 99.656,421 1.582,422 3.452,423 4.437,424 4.906,425 4.937,426 4.969,427 2.948,428 4.537,429 5.01,430 3.684,431 1944.9,432 8.812,433 28700,435 376.569,436 1.301,437 4.989,438 0.176,439 0.009,440 0.073,441 0.028,442 0.041,443 0.025,444 0.019,445 0.013,446 0.009,447 0.008,448 0.4,449 0.75,450 0.712,451 173.619,452 -0.016,453 -0.291,454 0.056,455 -0.115,456 0.051,457 -0.024,458 -0.047,459 0.102,460 0.048,461 0.105,462 0.13,463 0.081,464 -0.017,465 -0.114,466 -0.017,467 -0.036,468 0.12,469 -0.016,470 0.001,471 -0.002,472 -0.034,473 -0.047,474 0.017,475 -0.034,476 0.057,477 -0.011,478 0.038,479 0.028,480 0.066,481 0.025,482 0.113,483 0.037,484 0.037,485 0.018,486 0.093,487 0.023,488 -0.001,489 0.037,490 0.068,491 0.052,492 0.024,493 0.065,494 -0.188,495 0.039,496 -0.074,497 -0.013,498 -0.191,499 -0.063,500 1.021,501 2.032,502 0.818,503 37.315,504 1,505 1.131,506 3.83,507 14.667,508 0.662,509 3.638,510 3.97,511 4.277,512 4.554,513 4.828,514 4.984,515 5.182,516 5.371,517 5.561,518 5.659,519 7.047,520 0.622,521 468.05,522 3.638,523 5.187,524 6.052,525 6.936,526 7.818,527 8.709,528 9.598,529 10.493,530 11.387,531 12.285,532 7.9,534 1,535 6,536 6,537 17,538 1,539 63,540 17,541 2,542 37,543 67,544 25,545 14,546 6,547 6,548 1,550 5,552 5,553 14,554 11,557 30,558 7,559 1,560 8,561 1,562 2,565 1,566 1,567 4,571 2,572 1,574 33,576 8,577 2,578 1,579 1,580 3.2,583 16.167,584 11.86,585 7.306,586 3.954,587 3.18,588 1.386,589 0.992,590 6.881,591 11.426,592 3.839,593 4.431,594 5.022,595 5.615,596 6.243,597 6.618,598 7.066,599 7.531,600 7.97,601 8.19,602 0.875,603 54,604 12.209,605 5.163,606 7.508,607 24.015,608 20.134,609 2.008,610 66.278,612 341.362,613 122.873,614 39.149,615 22,617 122.873,618 402.51,619 57.83,620 21.766,621 18.561,622 56.857,623 33.571,624 67.72,625 4.227,626 341.362,627 39.149,628 341.362,629 180.703,630 22,631 39.149,632 247.193,633 116.169,635 43.739,636 103.393,637 72.72,638 341.362,639 79.83,640 162.022,641 341.362,642 44.249,643 84.872,644 94.719,645 341.362,646 79.83,647 162.022,648 0.579,649 0.348,650 0.189,651 0.104,652 26,653 11,654 0.09,655 6,656 1.074,657 4.382,658 318.872,659 0.074,660 27,661 152.465,662 22.664,663 10.019,664 4.896,665 1.689,666 79.83,667 11.456,668 9.883,669 4.381,670 18.011,671 583.214,672 45.5,673 62.974,674 71.252,675 0.265,676 0.578,677 0.742,678 0.821,679 0.826,680 0.831,681 5.095,682 1.878,683 6.033,684 5.527,685 4.654,686 5.118,687 1.824,688 6.849,689 4.524,690 6.281,691 1.555,692 7.592,693 4.971,694 4.205,695 4.945,696 7.735,697 3.974,698 7.586,699 1.381,700 9.248,701 4.338,702 6.256,703 7.312,704 1.426,705 10.827,706 6.012,707 8.926,708 1,709 10.96,710 3.763,711 6.635,712 7.977,713 12.522,714 6.299,715 10.298,716 1,717 12.707,718 2.275,719 8.122,720 9.834,721 1.153,722 15.119,723 7.772,724 11.692,725 0.863,726 14.479,727 2.275,728 8.881,729 10.905,730 17.157,731 8.455,732 13.103,733 0.701,734 16.268,735 2.046,736 10.144,737 12.556,738 0.931,739 19.581,740 9.694,741 3.184,742 0.618,743 18.071,744 1.592,745 11.088,746 13.841,747 21.776,748 10.575,749 2.904,750 10.706,751 19.883,752 1.372,753 12.258,754 15.405,755 0.742,756 24.139,757 11.716,758 2.754,759 9.207,760 21.703,761 4.549,762 13.293,763 16.801,764 26.411,765 12.699,766 2.645,767 8.912,768 23.53,769 3.642,770 14.429,771 18.329,772 0.583,773 28.756,774 13.801,775 2.481,776 8.456,777 25.362,778 3.551,779 15.51,780 19.783,781 31.066,782 14.836,783 2.14,784 7.285,785 27.2,786 3.117,787 16.637,788 21.298,789 0.452,790 33.41,791 15.927,792 1.905,793 6.2,794 29.041,795 2.863,796 17.742,797 22.781,798 35.742,799 16.99,800 14406,801 22509,802 25.255,803 41.694,804 54.905,805 56.181,806 56.63,807 55.262,808 55.132,809 68.172,810 7.44,811 159.716,812 51.398,813 5.611,814 5.327,815 6.225,816 5.216,817 5.184,818 7.549,819 17.74,820 5.048,821 13.627,822 1.484,823 1.518,824 1.531,825 1.494,826 1.49,827 1.842,828 0.201,829 4.317,830 1.389,831 4.096,832 4.131,833 4.079,834 3.986,835 5.094,836 4.001,837 3.913,838 3.974,839 3.966,840 3.82,841 4.936,842 3.814,843 3.878,844 3.902,845 3.802,846 3.762,847 4.762,848 3.762,849 3.7,850 3.767,851 3.583,852 3.54,853 4.5,854 3.535,855 3.481,856 3.52,857 3.448,858 3.267,859 4.403,860 3.3,861 3.254,862 3.319,863 3.31,864 2.986,865 4.372,866 3.002,867 3.126,868 3.209,869 3.072,870 2.941,871 4.162,872 2.91,873 3.111,874 3.206,875 2.969,876 2.902,877 4.036,878 2.908,879 0.125,880 0.09,881 0.179,882 0.112,883 0.086,884 4.611,885 0.123,886 3.327,887 0.023,888 6.628,889 0.289,890 4.14,891 0.082,892 3.184,893 4.549,894 10.706,895 3.048,896 2.011,897 1.988,898 2.074,899 2.143,900 1.419,901 2.122,902 1.865,903 1.841,904 2.012,905 2.002,906 1.211,907 2.011,908 1.822,909 1.764,910 1.948,911 1.944,912 1.183,913 1.953,914 1.577,915 1.507,916 1.86,917 1.751,918 1.048,919 1.793,920 1.428,921 1.373,922 1.65,923 1.691,924 0.95,925 1.675,926 1.327,927 1.259,928 1.592,929 1.589,930 0.825,931 1.592,932 1.195,933 1.121,934 1.576,935 1.525,936 0.606,937 1.54,938 1.153,939 1.064,940 1.513,941 1.376,942 0.575,943 1.429,944 4.317,945 5.645,946 2.398,947 7.174,948 4.443,949 8.794,950 6.293,951 10.464,952 3.275,953 6.074,956 9.362,957 3.455,958 11.064,959 0.681,960 4.957,961 39.212,962 99.656,963 217.507,964 279.549,965 309.059,966 311.059,967 313.059,968 46.157,969 8.246,970 62.75,971 62.75,972 29,973 12.809,974 4.17,975 3.248,976 47.55,977 137,978 143,979 0.167,980 240.49,981 413.23,982 578.555,983 44062,984 1.6,985 22.786,986 0.69,987 0.604,988 23.286,989 19.938,990 16.14,991 0.436,992 0.324,993 11.439,994 15.145,995 11.136,996 9.187,997 16.428,998 11.975,999 14.305,1000 0.275,1001 0.176,1002 14.713,1003 9.126,1004 12.639,1005 0.178,1006 0.098,1007 12.928,1008 6.953,1009 10.553,1010 0.112,1011 0.053,1012 10.72,1013 5.014,1014 8.731,1015 0.07,1016 0.028,1017 8.967,1018 3.448,1019 0.259,1020 104.619,1021 0.199,1022 30.466,1023 0.468,1024 178,1025 480.588,1026 210.489,1027 488.652,1028 673.52,1029 462,1030 212,1031 484.123,1032 240.339,1033 499.583,1034 735.67,1035 469,1036 6.886}
{0 CHEMBL487635,1 1.421,2 11.182,3 5.273,4 27.801,5 135.215,6 6.301,7 0.297,8 4.358,9 4.497,10 3.798,11 3.829,12 5.234,13 3.788,14 4.993,15 5.207,16 4.15,17 4.267,18 5.792,19 4.19,20 5.3,21 5.559,22 4.266,23 4.472,24 6.035,25 4.359,26 5.373,27 5.647,28 4.218,29 4.478,30 6.121,31 4.342,32 5.351,33 5.633,34 4.178,35 4.437,36 6.096,37 4.303,38 5.251,39 5.515,40 4.178,41 4.406,42 6.023,43 4.281,44 5.243,45 5.5,46 4.171,47 4.403,48 6.011,49 4.29,50 5.261,51 5.498,52 4.164,53 4.407,54 6.044,55 4.297,56 0.07,57 1.069,58 18.181,59 6.714,60 10.958,61 10.024,62 0.41,63 1.765,64 34.839,65 11.388,66 27.859,67 17.332,68 0.498,69 2.231,70 46.731,71 14.705,72 35.814,73 23.475,74 0.568,75 2.304,76 50.298,77 15.588,78 44.502,79 24.849,80 0.659,81 2.191,82 49.33,83 14.855,84 48.453,85 23.896,86 0.585,87 2.112,88 44.646,89 13.928,90 40.781,91 22.24,92 0.493,93 2.097,94 44.434,95 13.311,96 36.918,97 21.518,98 0.538,99 2.083,100 45.713,101 13.768,102 38.13,103 21.494,104 9,105 51,106 0.224,107 0.444,108 0.635,109 0.759,110 0.78,111 0.785,112 3.532,113 1.049,114 -5.3,115 -5.19,116 -4.85,117 36.1,118 10,120 2,121 4,122 2,123 2,124 1,125 2,126 7,127 11,128 3,129 7,130 1,131 5,133 3,134 6,135 2,136 10,137 2,138 3,139 6,140 3,142 4,143 8,144 2,145 10,146 1,147 6,150 6,152 16,153 1,154 6,156 7,158 4,159 1974,160 23.118,161 23.118,162 23.118,163 23.118,164 23.118,165 21.911,166 36.077,167 13.76,168 23.848,169 18.2,170 18.2,171 18.2,172 18.2,173 18.2,174 16.126,175 59.582,176 6.421,177 19.23,178 4.749,179 3.352,180 2.138,181 1.354,182 1.215,183 1.188,184 4.245,187 811,188 2.828,189 93.454,190 267.911,191 108.249,192 146.135,193 1.763,194 21.336,195 1,196 1,197 1,198 1,199 1,200 0.98,201 70.5,202 369,203 4.609,204 3.326,205 6.628,206 4.139,207 3.184,208 4.548,209 10.706,210 3.048,211 4.088,212 3.167,213 6.189,214 3.843,215 2.904,216 3.578,217 9.207,218 2.728,219 3.895,220 3.045,221 6.098,222 3.677,223 2.752,224 3.121,225 0.8,226 8.912,227 2.545,228 3.745,229 2.852,230 5.981,231 3.541,232 2.602,233 2.855,234 8.454,235 2.444,236 3.552,237 2.541,238 5.445,239 3.364,240 2.404,241 2.813,242 0.4,243 7.165,244 2.291,245 3.317,246 2.23,247 5.074,248 2.932,249 1.982,250 2.43,252 5.959,253 1.88,254 3,255 1.973,256 4.65,257 2.859,258 1.889,259 2.06,260 4.977,261 1.827,262 2.827,263 1.964,264 4.469,265 2.617,266 1.649,267 1.883,268 4.374,269 1.599,270 2.591,271 1.607,272 4.257,273 2.45,274 1.513,275 1.593,276 3.778,277 1.409,278 2.538,279 1.554,280 3.725,281 2.294,282 1.378,283 1.542,284 3.315,285 1.255,286 2.247,287 1.247,288 3.476,289 2.247,290 1.247,291 1.247,292 2.606,293 1.247,294 2,295 1.077,296 3.414,297 1.984,298 1,299 1,300 2.275,301 0.983,302 1.949,303 1.061,304 3.414,305 1.815,306 0.862,307 0.902,308 2.046,309 0.818,310 1.826,311 0.988,312 3.264,313 1.604,314 0.698,315 0.782,316 1.579,317 0.627,318 1.618,319 0.932,320 3,321 1.591,322 0.618,323 0.618,324 1.372,325 0.6,326 15.667,327 0.475,328 0.598,329 0.018,330 34.5,331 1.045,332 12,333 0.364,334 22.5,335 0.682,336 38.727,337 1.174,338 38.333,339 0.532,340 24.137,341 0.731,342 5.73,343 0.174,344 10.516,345 0.319,346 0.064,347 0.306,349 0.916,350 1.633,351 0.94,352 1.354,353 0.774,354 1.177,355 1.211,356 1.135,357 1.027,358 1.044,359 0.876,360 1.019,361 0.89,362 1.151,363 0.939,364 1.007,365 0.716,366 0.973,367 0.89,368 1.091,369 0.993,370 1.041,371 0.968,372 1.023,373 1.019,374 0.968,375 0.943,376 0.878,377 1.156,378 0.892,379 0.802,380 1.083,381 0.993,382 1.022,383 0.997,384 1.018,385 1.146,386 1.072,387 1.082,388 0.997,389 1.339,390 1.01,391 1.601,392 1.131,393 1.254,394 1.12,395 1.686,396 1.137,397 5.5,398 0.211,399 3.333,400 1.528,401 1.886,402 1.205,403 0.873,404 0.571,405 0.365,406 0.239,407 15381,408 27516,409 2.168,410 54.2,411 8,412 18,413 1,414 8,415 4,416 1.759,417 2.084,418 3.452,419 -0.382,420 102.283,421 1.421,422 2.818,423 4.032,424 4.816,425 4.955,426 4.982,427 2.89,428 4.476,429 5.011,430 3.657,431 1931.01,432 8.815,433 28480.8,435 444.235,436 1.182,437 4.999,438 0.149,439 0.007,440 0.065,441 0.027,442 0.037,443 0.024,444 0.017,445 0.011,446 0.008,447 0.006,448 0.351,449 0.88,450 0.643,451 173.377,452 0.027,453 -0.284,454 0.096,455 -0.116,456 0.143,457 -0.018,458 -0.003,459 0.043,460 0.018,461 0.022,462 0.162,463 0.017,464 0.048,465 -0.073,466 0.061,467 0.006,468 0.188,469 0.034,470 0.052,471 -0.045,472 0.003,473 -0.063,474 0.094,475 -0.04,476 0.04,477 0.041,478 0.061,479 0.08,480 0.02,481 0.074,482 0.121,483 0.004,484 0.008,485 -0.026,486 0.038,487 -0.023,488 -0.09,489 0.032,490 -0.061,491 -0.009,492 -0.182,493 -0.022,494 -0.204,495 -0.032,496 -0.201,497 -0.119,498 -0.293,499 -0.151,500 0.956,501 2.096,502 0.848,503 36.722,504 0.989,505 1.138,506 4.07,507 16.562,508 0.623,509 3.638,510 3.951,511 4.263,512 4.543,513 4.804,514 5.004,515 5.17,516 5.352,517 5.537,518 5.631,519 6.979,520 0.576,521 453.7,522 3.638,523 5.176,524 6.038,525 6.917,526 7.796,527 8.684,528 9.572,529 10.466,530 11.359,531 12.257,532 6.9,533 1,535 2,536 4,537 11,539 72,540 11,541 1,542 37,543 76,544 26,545 8,546 4,547 2,550 12,552 12,553 8,554 18,557 39,558 7,559 1,560 7,562 2,565 1,566 1,567 3,568 1,571 2,574 33,576 14,577 2,578 2,580 2.8,583 15.833,584 13.217,585 7.389,586 4.967,587 2.342,588 1.284,589 0.971,590 7.538,591 10.589,592 3.773,593 4.297,594 4.871,595 5.456,596 6.068,597 6.5,598 6.924,599 7.327,600 7.702,601 7.791,602 1,603 56,604 12.311,605 5.2,606 7.354,607 24.909,608 21.366,609 1.854,610 61.167,612 447.302,613 93.918,615 22,617 93.918,618 469.302,619 57.83,620 21.766,621 33.768,622 18.952,623 51.582,624 43.452,625 4.227,626 447.302,628 447.302,629 151.748,630 22,632 306.049,633 163.253,635 40.936,636 59.231,637 51.582,638 447.302,639 79.83,640 93.918,641 447.302,642 53.199,643 46.967,644 55.571,645 447.302,646 79.83,647 93.918,648 0.571,649 0.345,650 0.192,651 0.103,652 25,653 10,654 0.079,655 6,656 1.071,657 4.388,658 318.686,659 0.071,660 28,661 152.465,662 23.134,663 10.752,664 5.232,665 1.919,666 79.83,667 4.019,668 10.1,669 3.203,670 18.011,671 621.05,672 42.5,673 71.185,674 81.969,675 0.23,676 0.457,677 0.653,678 0.78,679 0.803,680 0.808,681 5.035,682 1.649,683 6.004,684 4.977,685 4.635,686 4.984,687 1.824,688 6.812,689 4.529,690 6.182,691 1.513,692 7.554,693 4.374,694 4.111,695 4.783,696 7.687,697 3.928,698 7.472,699 1.378,700 9.205,701 3.778,702 6.221,703 7.117,704 1.426,705 10.797,706 6.008,707 8.799,708 1.247,709 10.917,710 3.315,711 6.567,712 7.829,713 12.5,714 6.271,715 10.165,716 1,717 12.667,718 2.606,719 8.08,720 9.65,721 1.153,722 15.101,723 7.759,724 11.557,725 0.862,726 14.443,727 2.275,728 8.832,729 10.783,730 17.146,731 8.436,732 12.969,733 0.698,734 16.236,735 2.046,736 10.104,737 12.414,738 0.931,739 19.572,740 9.678,741 3.184,742 0.618,743 18.043,744 1.579,745 11.05,746 13.748,747 21.771,748 10.561,749 2.904,750 10.706,751 19.859,752 1.372,753 12.224,754 15.304,755 0.742,756 24.135,757 11.701,758 2.752,759 9.207,760 21.683,761 4.548,762 13.263,763 16.733,764 26.408,765 12.687,766 2.602,767 8.912,768 23.513,769 3.578,770 14.402,771 18.261,772 0.583,773 28.754,774 13.788,775 2.404,776 8.454,777 25.348,778 3.121,779 15.486,780 19.735,781 31.065,782 14.826,783 1.982,784 7.165,785 27.188,786 2.855,787 16.615,788 21.252,789 0.452,790 33.409,791 15.916,792 1.889,793 5.959,794 29.031,795 2.813,796 17.723,797 22.747,798 35.741,799 16.982,800 14322,801 19397,802 25.542,803 44.881,804 54.251,805 55.26,806 55.883,807 54.444,808 54.475,809 63.163,810 7.44,811 155.303,812 51.569,813 5.609,814 5.326,815 6.426,816 5.218,817 5.184,818 7.548,819 17.74,820 5.048,821 11.009,822 1.466,823 1.494,824 1.51,825 1.471,826 1.472,827 1.707,828 0.201,829 4.197,830 1.394,831 4.096,832 4.133,833 4.065,834 3.981,835 5.085,836 3.997,837 3.913,838 3.973,839 3.802,840 3.765,841 4.763,842 3.764,843 3.849,844 3.907,845 3.708,846 3.731,847 4.499,848 3.718,849 3.7,850 3.767,851 3.581,852 3.54,853 4.391,854 3.535,855 3.498,856 3.545,857 3.409,858 3.288,859 4.331,860 3.315,861 3.316,862 3.392,863 3.167,864 3.128,865 4.163,866 3.127,867 3.278,868 3.364,869 3.057,870 3.125,871 4.075,872 3.097,873 3.248,874 3.315,875 3.056,876 2.965,877 3.934,878 2.975,879 0.125,880 0.09,881 0.179,882 0.112,883 0.086,884 4.609,885 0.123,886 3.326,887 0.023,888 6.628,889 0.289,890 4.139,891 0.082,892 3.184,893 4.548,894 10.706,895 3.048,896 2.007,897 1.984,898 2.074,899 2.142,900 1.419,901 2.121,902 1.824,903 1.764,904 2.012,905 2,906 1.341,907 2.009,908 1.717,909 1.658,910 1.975,911 1.884,912 1.336,913 1.912,914 1.712,915 1.647,916 1.936,917 1.873,918 1.211,919 1.904,920 1.577,921 1.507,922 1.86,923 1.751,924 1.165,925 1.793,926 1.424,927 1.365,928 1.65,929 1.687,930 0.95,931 1.674,932 1.32,933 1.253,934 1.592,935 1.585,936 0.825,937 1.589,938 1.194,939 1.12,940 1.576,941 1.525,942 0.612,943 1.54,944 4.317,945 5.631,946 2.398,947 7.141,948 4.595,949 8.748,950 6.529,951 10.41,952 3.363,956 17.334,957 3.803,958 11.175,959 1.185,960 5.065,961 41.492,962 102.283,963 202.898,964 290.286,965 346.725,966 356.725,967 358.725,968 48.668,969 8.246,970 62.75,971 62.75,972 30,973 12.781,974 3.585,975 2.7,976 47.523,977 136,978 143,979 0.168,980 250.531,981 434.14,982 603.056,983 44622,985 22.623,986 0.686,987 0.616,988 22.623,989 20.314,990 16.246,991 0.439,992 0.35,993 12.752,994 15.56,995 12.477,996 10.32,997 16.246,998 12.942,999 14.036,1000 0.275,1001 0.194,1002 14.036,1003 9.891,1004 12.478,1005 0.178,1006 0.111,1007 12.478,1008 7.79,1009 10.588,1010 0.114,1011 0.063,1012 10.588,1013 5.85,1014 8.565,1015 0.071,1016 0.034,1017 8.565,1018 4.087,1019 0.26,1020 102.08,1021 0.198,1022 30.431,1023 0.473,1024 176,1025 418.384,1026 192.969,1027 396.055,1028 559.94,1029 378,1030 209,1031 424.978,1032 227.58,1033 428.298,1034 634.46,1035 403,1036 6.886}
{0 CHEMBL487835,1 1.582,2 11.606,3 4.905,4 24.06,5 128.109,6 7.168,7 0.459,8 4.25,9 4.375,10 3.794,11 3.736,12 5.28,13 3.724,14 4.836,15 5.028,16 4.158,17 4.142,18 5.82,19 4.111,20 5.085,21 5.312,22 4.23,23 4.296,24 6.028,25 4.231,26 5.139,27 5.383,28 4.19,29 4.308,30 6.047,31 4.223,32 5.171,33 5.423,34 4.169,35 4.327,36 6.044,37 4.226,38 5.133,39 5.389,40 4.146,41 4.3,42 6.005,43 4.198,44 5.08,45 5.33,46 4.141,47 4.252,48 6,49 4.169,50 5.031,51 5.25,52 4.123,53 4.208,54 6.004,55 4.145,56 0.024,57 1.016,58 13.876,59 5.704,60 8.341,61 7.758,62 0.372,63 1.647,64 27.75,65 9.451,66 31.245,67 13.166,68 0.472,69 2.016,70 36.765,71 11.731,72 44.884,73 17.247,74 0.532,75 2.02,76 39.333,77 12.513,78 49.826,79 18.53,80 0.653,81 1.989,82 41.026,83 13.022,84 54.083,85 19.726,86 0.566,87 1.966,88 39.264,89 12.78,90 45.157,91 19.237,92 0.492,93 1.9,94 37.132,95 11.582,96 47.718,97 17.585,98 0.447,99 1.834,100 35.026,101 11.064,102 43.632,103 15.681,104 14,105 52,106 0.254,107 0.553,108 0.711,109 0.786,110 0.791,111 0.797,112 3.532,113 0.94,114 -4.96,115 -4.86,116 -4.56,117 39.7,118 4,120 2,121 4,122 1,123 6,124 1,125 4,126 4,127 11,128 3,129 4,130 1,131 5,133 3,134 3,135 2,136 10,137 2,138 1,139 6,140 3,142 4,143 6,144 2,145 8,146 1,147 6,150 4,152 12,153 1,154 4,156 5,158 4,159 1993,160 22.859,161 22.859,162 22.859,163 22.859,164 22.859,165 20.875,166 37.704,167 13.346,168 23.651,169 18.166,170 18.166,171 18.166,172 18.166,173 18.166,174 15.002,175 60.244,176 6.207,177 19.322,178 4.395,179 2.525,180 1.54,181 1.072,182 1.04,183 1.008,184 4.242,186 1,187 842,188 2.915,189 94.287,190 369.206,192 148.771,193 1.739,194 29.901,195 1,196 1,197 1,198 0.5,199 1,200 0.9,201 72,202 383,203 4.611,204 3.327,205 6.628,206 4.14,207 3.184,208 4.549,209 10.706,210 3.048,211 4.098,212 3.167,213 6.189,214 3.843,215 2.904,216 3.642,217 9.207,218 2.728,219 4.011,220 3.048,221 6.098,222 3.682,223 2.754,224 3.551,225 0.8,226 8.912,227 2.565,228 3.881,229 2.942,230 5.981,231 3.591,232 2.645,233 3.117,234 8.456,235 2.486,236 3.731,237 2.807,238 5.482,239 3.422,240 2.481,241 2.863,242 0.4,243 7.285,244 2.321,245 3.495,246 2.455,247 5.148,248 3.071,249 2.14,250 2.819,252 6.2,253 1.979,254 3.302,255 2.224,256 4.856,257 2.869,258 1.905,259 2.611,260 5.527,261 1.836,262 2.999,263 1.973,264 4.646,265 2.83,266 1.878,267 2.062,268 4.971,269 1.775,270 2.812,271 1.902,272 4.46,273 2.471,274 1.555,275 1.875,276 4.338,277 1.421,278 2.543,279 1.554,280 4.256,281 2.296,282 1.381,283 1.547,284 3.763,285 1.257,286 2.5,287 1.077,288 3.504,289 2,290 1,291 1.5,292 2.275,293 1,294 2,295 1.073,296 3.414,297 1.984,298 1,299 1,300 2.275,301 0.983,302 1.961,303 1,304 3.414,305 1.815,306 0.863,307 0.908,308 2.046,309 0.818,310 1.831,311 0.993,312 3.266,313 1.604,314 0.701,315 0.791,316 1.592,317 0.628,318 1.618,319 0.94,320 3,321 1.591,322 0.618,323 0.618,324 1.372,325 0.6,326 15.452,327 0.468,328 0.704,329 0.021,330 40.75,331 1.235,332 18,333 0.545,334 22.75,335 0.689,336 31.573,337 0.957,338 36.748,339 0.583,340 31.605,341 0.958,342 7.8,343 0.236,344 8.339,345 0.253,346 0.083,347 0.343,348 1,349 0.775,350 1.387,351 0.788,352 1.238,353 0.57,354 1.052,355 1.027,356 1,357 0.9,358 0.931,359 0.606,360 0.898,361 0.946,362 1.137,363 0.963,364 1.018,365 0.786,366 0.985,367 0.858,368 0.963,369 0.978,370 0.993,371 0.753,372 0.995,373 0.713,374 0.849,375 0.924,376 0.93,377 0.468,378 0.957,379 0.628,380 0.891,381 0.897,382 0.95,383 0.539,384 0.961,385 0.763,386 0.895,387 0.9,388 0.921,389 0.571,390 0.917,391 1.234,392 1.027,393 1.107,394 1.046,395 0.934,396 1.041,397 6.5,398 0.284,399 3.778,400 1.528,401 2.103,402 1.236,403 0.933,404 0.617,405 0.423,406 0.311,407 15430,408 36812,409 2.15,410 47.6,412 21,413 1,414 4,415 4,416 1.758,417 2.041,418 3.495,419 -0.352,420 99.656,421 1.582,422 3.452,423 4.437,424 4.906,425 4.937,426 4.969,427 2.948,428 4.537,429 5.01,430 3.684,431 1944.9,432 8.812,433 28700,434 1,435 376.569,436 1.301,437 4.989,438 0.176,439 0.009,440 0.073,441 0.028,442 0.041,443 0.025,444 0.019,445 0.013,446 0.009,447 0.008,448 0.4,449 0.88,450 0.712,451 173.619,452 -0.021,453 -0.247,454 0.078,455 -0.124,456 0.014,457 -0.024,458 -0.046,459 0.037,460 0.048,461 0.07,462 0.08,463 0.07,464 -0.031,465 -0.109,466 -0.002,467 -0.037,468 0.048,469 -0.013,470 -0.014,471 0.001,472 -0.018,473 -0.032,474 -0.016,475 -0.026,476 0.062,477 0.015,478 0.029,479 0.031,480 0.055,481 0.023,482 0.085,483 0.02,484 0.05,485 0.015,486 0.038,487 0.024,488 0.017,489 0.033,490 0.056,491 0.035,492 0.047,493 0.056,494 -0.157,495 -0.039,496 -0.127,497 -0.08,498 -0.084,499 -0.089,500 1.943,501 5.417,502 0.818,503 37.315,504 1.003,505 1.137,506 3.728,507 13.898,508 0.647,509 3.638,510 3.97,511 4.277,512 4.554,513 4.828,514 4.984,515 5.182,516 5.371,517 5.561,518 5.659,519 7.047,520 0.615,521 451.6,522 3.638,523 5.187,524 6.052,525 6.936,526 7.818,527 8.709,528 9.598,529 10.493,530 11.387,531 12.285,532 7.9,534 1,535 6,536 6,537 17,538 1,539 63,540 17,541 2,542 37,543 67,544 25,545 14,546 6,547 6,550 5,552 5,553 14,554 11,556 1,557 30,558 8,559 1,560 8,562 2,565 1,566 1,567 4,571 2,573 1,574 33,576 8,577 2,578 1,579 1,580 3.2,583 16.167,584 11.86,585 7.306,586 3.954,587 3.18,588 1.386,589 0.994,590 6.631,591 11.426,592 3.839,593 4.431,594 5.022,595 5.615,596 6.243,597 6.618,598 7.066,599 7.531,600 7.97,601 8.19,602 0.875,603 54,604 12.245,605 5.228,606 7.626,607 23.876,608 20.025,609 2.126,610 70.167,611 1,612 341.362,613 128.493,615 22,616 14.96,617 128.493,618 363.362,619 72.791,620 21.766,621 18.561,622 56.857,623 33.571,624 73.341,625 19.187,626 341.362,628 341.362,629 186.324,630 36.96,632 262.153,633 116.169,635 43.739,636 109.013,637 33.571,638 356.322,639 79.83,640 128.493,641 341.362,642 49.87,643 84.872,644 70.531,645 341.362,646 94.79,647 128.493,648 0.579,649 0.348,650 0.189,651 0.104,652 26,653 11,654 0.09,655 6,656 1.074,657 4.382,658 318.872,659 0.074,660 27,661 154.465,662 22.331,663 9.799,664 4.766,665 1.58,666 94.79,667 10.019,668 9.783,669 3.055,670 18.011,671 564.646,672 45.5,673 63.163,674 71.648,675 0.265,676 0.578,677 0.742,678 0.821,679 0.826,680 0.831,681 5.095,682 1.878,683 6.033,684 5.527,685 4.654,686 5.118,687 1.824,688 6.849,689 4.537,690 6.281,691 1.555,692 7.592,693 4.971,694 4.205,695 4.945,696 7.735,697 4.007,698 7.586,699 1.381,700 9.248,701 4.338,702 6.256,703 7.312,704 1.426,705 10.827,706 6.03,707 8.926,708 1,709 10.96,710 3.763,711 6.635,712 7.977,713 12.522,714 6.327,715 10.298,716 1,717 12.707,718 2.275,719 8.122,720 9.834,721 1.153,722 15.119,723 7.791,724 11.692,725 0.863,726 14.479,727 2.275,728 8.881,729 10.905,730 17.157,731 8.477,732 13.103,733 0.701,734 16.268,735 2.046,736 10.144,737 12.556,738 0.931,739 19.581,740 9.712,741 3.184,742 0.618,743 18.071,744 1.592,745 11.088,746 13.841,747 21.776,748 10.594,749 2.904,750 10.706,751 19.883,752 1.372,753 12.258,754 15.405,755 0.742,756 24.139,757 11.732,758 2.754,759 9.207,760 21.703,761 4.549,762 13.293,763 16.801,764 26.411,765 12.713,766 2.645,767 8.912,768 23.53,769 3.642,770 14.429,771 18.329,772 0.583,773 28.756,774 13.814,775 2.481,776 8.456,777 25.362,778 3.551,779 15.51,780 19.783,781 31.066,782 14.848,783 2.14,784 7.285,785 27.2,786 3.117,787 16.637,788 21.298,789 0.452,790 33.41,791 15.937,792 1.905,793 6.2,794 29.041,795 2.863,796 17.742,797 22.781,798 35.742,799 16.999,800 14406,801 22509,802 25.255,803 40.773,804 54.905,805 56.15,806 56.63,807 55.161,808 55.132,809 68.172,810 7.44,811 159.716,812 51.845,813 5.611,814 5.327,815 6.225,816 5.216,817 5.184,818 7.549,819 17.74,820 5.048,821 13.627,822 1.484,823 1.518,824 1.531,825 1.491,826 1.49,827 1.842,828 0.201,829 4.317,830 1.401,831 4.097,832 4.132,833 4.069,834 3.984,835 8.201,836 4.001,837 3.913,838 3.974,839 3.833,840 3.803,841 5.089,842 3.805,843 3.882,844 3.912,845 3.802,846 3.762,847 4.773,848 3.762,849 3.7,850 3.767,851 3.581,852 3.54,853 4.645,854 3.535,855 3.482,856 3.522,857 3.404,858 3.264,859 4.497,860 3.299,861 3.254,862 3.319,863 3.103,864 2.981,865 4.39,866 2.999,867 3.126,868 3.21,869 3.01,870 2.941,871 4.164,872 2.91,873 3.118,874 3.206,875 2.96,876 2.89,877 4.086,878 2.902,879 0.125,880 0.09,881 0.179,882 0.112,883 0.086,884 4.611,885 0.123,886 3.327,887 0.023,888 6.628,889 0.289,890 4.14,891 0.082,892 3.184,893 4.549,894 10.706,895 3.048,896 2.011,897 1.988,898 2.074,899 2.143,900 1.419,901 2.122,902 1.862,903 1.835,904 2.013,905 2.004,906 1.211,907 2.012,908 1.822,909 1.764,910 1.957,911 1.96,912 1.182,913 1.96,914 1.577,915 1.507,916 1.86,917 1.751,918 1.037,919 1.793,920 1.428,921 1.372,922 1.65,923 1.691,924 0.95,925 1.675,926 1.326,927 1.259,928 1.592,929 1.591,930 0.825,931 1.592,932 1.195,933 1.121,934 1.576,935 1.525,936 0.606,937 1.54,938 1.153,939 1.064,940 1.513,941 1.376,942 0.575,943 1.429,944 4.317,945 5.645,946 2.398,947 7.174,948 4.443,949 8.794,950 6.293,951 10.464,952 3.225,954 13.417,956 9.179,957 3.347,958 11.005,959 0.658,960 4.899,961 38.768,962 99.656,963 217.507,964 279.549,965 309.059,966 311.059,967 313.059,968 51.333,969 8.246,970 62.75,971 62.75,972 29,973 12.809,974 4.17,975 3.248,976 47.55,977 137,978 143,979 0.167,980 233.355,981 404.09,982 561.146,983 44062,984 1.6,985 22.786,986 0.69,987 0.581,988 21.916,989 19.182,990 16.14,991 0.436,992 0.313,993 11.384,994 15.335,995 11.136,996 9.187,997 15.746,998 11.597,999 14.305,1000 0.275,1001 0.167,1002 13.683,1003 8.69,1004 12.639,1005 0.178,1006 0.094,1007 12.228,1008 6.701,1009 10.553,1010 0.112,1011 0.052,1012 10.411,1013 4.888,1014 8.731,1015 0.07,1016 0.027,1017 8.44,1018 3.312,1019 0.259,1020 102.309,1021 0.199,1022 30.466,1023 0.468,1024 178,1025 540.495,1026 198.8,1027 488.652,1028 673.52,1029 462,1030 212,1031 500.593,1032 233.49,1033 499.583,1034 735.67,1035 469,1036 6.149}
{0 CHEMBL488018,1 1.65,2 11.676,3 5.111,4 26.118,5 128.325,6 7.454,7 0.447,8 4.257,9 4.379,10 3.827,11 3.734,12 5.33,13 3.733,14 4.844,15 5.032,16 4.204,17 4.14,18 5.882,19 4.123,20 5.099,21 5.32,22 4.307,23 4.294,24 6.218,25 4.248,26 5.148,27 5.388,28 4.239,29 4.306,30 6.132,31 4.234,32 5.18,33 5.428,34 4.196,35 4.326,36 6.1,37 4.234,38 5.14,39 5.393,40 4.196,41 4.299,42 6.079,43 4.208,44 5.089,45 5.335,46 4.21,47 4.249,48 6.081,49 4.186,50 5.048,51 5.26,52 4.225,53 4.204,54 6.152,55 4.168,56 0.076,57 1.083,58 13.165,59 5.733,60 7.945,61 7.491,62 0.463,63 1.744,64 27.224,65 9.495,66 31.819,67 12.759,68 0.795,69 2.248,70 37.073,71 11.798,72 89.13,73 16.754,74 0.736,75 2.1,76 39.505,77 12.536,78 65.243,79 18.163,80 0.822,81 2.041,82 41.415,83 13.056,84 67.893,85 19.324,86 0.731,87 2.026,88 39.414,89 12.786,90 56.502,91 19.032,92 0.616,93 2.011,94 37.291,95 11.632,96 51.601,97 17.148,98 0.714,99 2.028,100 35.366,101 11.118,102 59.892,103 15.09,104 21,105 54,106 0.265,107 0.563,108 0.721,109 0.802,110 0.812,111 0.817,112 3.561,113 0.924,114 -5.06,115 -4.96,116 -4.65,117 39.7,118 4,120 2,121 4,122 1,123 5,124 1,125 5,126 3,127 11,128 3,129 3,130 1,131 5,133 2,134 2,135 2,136 10,137 2,138 1,139 6,140 2,142 3,143 6,144 2,145 7,146 1,147 4,150 3,152 11,153 1,154 4,156 4,158 2,159 2198,160 23.359,161 23.359,162 23.359,163 23.359,164 23.359,165 21.322,166 38.28,167 13.512,168 24.194,169 18.634,170 18.634,171 18.634,172 18.634,173 18.634,174 15.389,175 61.805,176 6.26,177 19.89,178 4.327,179 2.464,180 1.478,181 0.976,182 0.913,183 0.881,184 4.268,186 1,187 869,188 3,189 97.188,190 382.101,192 153.95,193 1.754,194 40.628,195 1,196 1,197 1,198 0.5,199 1,200 0.9,201 75.5,202 397,203 4.611,204 3.336,205 6.628,206 4.141,207 3.185,208 4.549,209 10.707,210 3.049,211 4.218,212 3.284,213 6.189,214 3.843,215 2.904,216 3.872,217 9.207,218 2.728,219 4.083,220 3.167,221 6.098,222 3.777,223 2.835,224 3.575,225 0.8,226 8.914,227 2.662,228 3.892,229 3.042,230 5.993,231 3.662,232 2.741,233 3.126,234 8.519,235 2.517,236 3.741,237 2.83,238 5.938,239 3.464,240 2.536,241 2.908,242 0.4,243 8.247,244 2.343,245 3.553,246 2.457,247 5.369,248 3.154,249 2.216,250 2.826,252 6.792,253 2.061,254 3.329,255 2.224,256 5.022,257 2.874,258 1.915,259 2.666,260 5.793,261 1.84,262 2.999,263 2.104,264 4.648,265 2.842,266 1.882,267 2.063,268 4.973,269 1.793,270 2.822,271 1.973,272 4.464,273 2.472,274 1.556,275 1.949,276 4.345,277 1.422,278 2.811,279 1.886,280 4.256,281 2.353,282 1.414,283 1.875,284 3.765,285 1.311,286 2.543,287 1.554,288 4.041,289 2.296,290 1.381,291 1.547,292 3.522,293 1.257,294 2,295 1.077,296 3.51,297 1.984,298 1,299 1,300 2.275,301 0.983,302 1.962,303 1.072,304 3.414,305 1.815,306 0.863,307 0.908,308 2.047,309 0.818,310 1.831,311 0.993,312 3.267,313 1.605,314 0.702,315 0.792,316 1.601,317 0.629,318 1.618,319 0.941,320 3,321 1.591,322 0.618,323 0.618,324 1.372,325 0.6,326 15.738,327 0.463,328 0.794,329 0.023,330 41.5,331 1.221,332 18,333 0.529,334 23.5,335 0.691,336 33.166,337 0.975,338 38.262,339 0.607,340 33.616,341 0.989,342 8.019,343 0.236,344 8.531,345 0.251,346 0.1,347 0.369,348 2,349 0.706,350 1.29,351 0.741,352 1.237,353 0.526,354 1.043,355 0.911,356 0.972,357 0.847,358 0.932,359 0.567,360 0.884,361 0.821,362 1.06,363 0.911,364 1.017,365 0.627,366 0.979,367 0.769,368 0.893,369 0.946,370 0.99,371 0.662,372 0.999,373 0.7,374 0.802,375 0.93,376 0.927,377 0.523,378 0.971,379 0.535,380 0.811,381 0.843,382 0.947,383 0.44,384 0.961,385 0.726,386 0.9,387 0.845,388 0.923,389 0.567,390 0.9,391 1.133,392 1.018,393 1.052,394 1.048,395 0.937,396 1.026,397 7,398 0.309,399 4.222,400 1.84,401 2.214,402 1.292,403 0.974,404 0.671,405 0.53,406 0.407,407 16489,408 43281,409 2.127,410 46,412 20,413 1,414 4,415 4,416 1.766,417 2,418 3.503,419 -0.334,420 103.981,421 1.65,422 3.513,423 4.499,424 5.001,425 5.064,426 5.096,427 2.946,428 4.433,429 5.054,430 3.697,431 2073.95,432 8.901,433 31270,435 376.569,436 1.379,437 5.023,438 0.184,439 0.009,440 0.078,441 0.032,442 0.042,443 0.025,444 0.019,445 0.013,446 0.01,447 0.009,448 0.422,449 0.75,450 0.753,451 180.456,452 -0.033,453 -0.218,454 0.068,455 -0.123,457 -0.025,458 -0.054,459 -0.002,460 0.061,461 0.067,462 0.05,463 0.083,464 0.06,465 -0.064,466 0.032,467 -0.036,468 0.19,469 -0.009,470 0.008,471 0.012,472 -0.007,473 -0.032,474 0.008,475 -0.025,476 0.023,477 0.015,478 0.007,479 0.031,480 0.013,481 0.017,482 0.107,483 0.02,484 0.082,485 0.014,486 0.068,487 0.034,488 0.011,489 -0.024,490 0.094,491 0.031,492 0.043,493 0.079,494 -0.076,495 -0.018,496 -0.082,497 -0.08,498 -0.025,499 -0.079,500 2.591,501 5.852,502 0.794,503 38.841,504 1.011,505 1.143,506 3.83,507 14.667,508 0.646,509 3.664,510 4.007,511 4.317,512 4.585,513 4.852,514 5.017,515 5.209,516 5.403,517 5.598,518 5.714,519 7.143,520 0.621,521 469.59,522 3.664,523 5.22,524 6.089,525 6.976,526 7.861,527 8.753,528 9.644,529 10.54,530 11.435,531 12.334,532 7.9,534 1,535 5,536 7,537 17,538 2,539 63,540 17,541 2,542 38,543 67,544 25,545 14,546 7,547 5,550 5,552 5,553 14,554 11,556 2,557 29,558 9,559 1,560 9,562 2,565 1,566 1,567 4,571 2,573 2,574 34,576 8,577 2,578 1,579 2,580 3.2,583 17,584 11.919,585 7.5,586 3.941,587 3.222,588 1.387,589 0.994,590 6.821,591 11.541,592 3.861,593 4.466,594 5.061,595 5.648,596 6.267,597 6.654,598 7.089,599 7.558,600 8.003,601 8.249,602 0.875,603 57,604 12.679,605 5.518,606 7.789,607 24.297,608 20.399,609 2.289,610 77.833,612 329.591,613 128.138,615 22,616 29.92,617 128.138,618 351.591,619 87.751,620 21.766,621 18.561,622 47.381,623 33.571,624 82.462,625 34.147,626 329.591,628 329.591,629 185.968,630 51.92,632 265.342,633 116.169,635 43.739,636 108.658,637 33.571,638 359.511,639 79.83,640 128.138,641 329.591,642 58.991,643 75.396,644 85.491,645 329.591,646 109.75,647 128.138,648 0.583,649 0.355,650 0.189,651 0.101,652 27,653 12,654 0.09,655 6,656 1.074,657 4.417,658 333.321,659 0.074,660 27,661 164.974,662 23.221,663 9.988,664 4.84,665 1.368,666 109.75,667 7.292,668 9.634,669 0.765,670 18.011,671 567.479,672 46.5,673 63.676,674 71.987,675 0.276,676 0.588,677 0.753,678 0.837,679 0.847,680 0.853,681 5.125,682 1.882,683 6.08,684 5.793,685 4.691,686 5.153,687 1.824,688 6.907,689 4.567,690 6.321,691 1.556,692 7.65,693 4.973,694 4.29,695 5.037,696 7.811,697 4.081,698 7.635,699 1.414,700 9.316,701 4.345,702 6.308,703 7.364,704 1.426,705 10.902,706 6.07,707 8.983,708 1.381,709 11.036,710 3.765,711 6.723,712 8.071,713 12.594,714 6.397,715 10.363,716 1,717 12.791,718 3.522,719 8.191,720 9.902,721 1.153,722 15.191,723 7.842,724 11.764,725 0.863,726 14.567,727 2.275,728 8.972,729 10.998,730 17.219,731 8.547,732 13.181,733 0.702,734 16.359,735 2.047,736 10.224,737 12.633,738 0.931,739 19.641,740 9.771,741 3.185,742 0.618,743 18.163,744 1.601,745 11.18,746 13.928,747 21.826,748 10.661,749 2.904,750 10.707,751 19.976,752 1.372,753 12.344,754 15.48,755 0.742,756 24.185,757 11.793,758 2.835,759 9.207,760 21.795,761 4.549,762 13.384,763 16.878,764 26.448,765 12.778,766 2.741,767 8.914,768 23.62,769 3.872,770 14.516,771 18.397,772 0.583,773 28.789,774 13.874,775 2.536,776 8.519,777 25.451,778 3.575,779 15.596,780 19.848,781 31.093,782 14.907,783 2.216,784 8.247,785 27.285,786 3.126,787 16.719,788 21.356,789 0.452,790 33.433,791 15.993,792 1.915,793 6.792,794 29.124,795 2.908,796 17.822,797 22.834,798 35.76,799 17.053,800 15460,801 25382,802 25.66,803 40.711,804 56.525,805 58.296,806 58.687,807 56.852,808 56.8,809 70.04,810 7.44,811 166.432,812 53.137,813 5.611,814 5.336,815 6.225,816 5.217,817 5.185,818 7.549,819 17.743,820 5.049,821 15.937,822 1.488,823 1.534,824 1.544,825 1.496,826 1.495,827 1.843,828 0.196,829 4.38,830 1.398,831 4.097,832 4.132,833 4.071,834 3.984,835 8.24,836 4.001,837 3.913,838 3.974,839 3.863,840 3.802,841 8.161,842 3.81,843 3.894,844 3.92,845 3.802,846 3.762,847 5.088,848 3.762,849 3.7,850 3.767,851 3.582,852 3.54,853 4.769,854 3.535,855 3.483,856 3.522,857 3.407,858 3.264,859 4.571,860 3.299,861 3.254,862 3.319,863 3.11,864 2.981,865 4.496,866 2.999,867 3.126,868 3.21,869 3.019,870 2.941,871 4.39,872 2.91,873 3.124,874 3.206,875 2.962,876 2.89,877 4.163,878 2.903,879 0.121,880 0.088,881 0.174,882 0.109,883 0.084,884 4.611,885 0.12,886 3.336,887 0.023,888 6.628,889 0.282,890 4.141,891 0.08,892 3.185,893 4.549,894 10.707,895 3.049,896 2.011,897 1.988,898 2.073,899 2.143,900 1.419,901 2.122,902 1.854,903 1.829,904 2.01,905 2.004,906 1.211,907 2.011,908 1.822,909 1.764,910 1.932,911 1.961,912 1.182,913 1.951,914 1.577,915 1.507,916 1.86,917 1.751,918 1.022,919 1.793,920 1.428,921 1.372,922 1.65,923 1.691,924 0.95,925 1.675,926 1.326,927 1.258,928 1.592,929 1.591,930 0.825,931 1.592,932 1.195,933 1.121,934 1.576,935 1.525,936 0.605,937 1.54,938 1.153,939 1.064,940 1.513,941 1.376,942 0.575,943 1.429,944 4.344,945 5.68,946 2.398,947 7.216,948 4.443,949 8.843,950 6.293,951 10.518,952 3.14,954 27.306,956 8.84,957 3.148,958 10.93,959 0.614,960 4.797,961 39.152,962 103.981,963 221.307,964 283.449,965 315.059,966 319.059,967 321.059,968 64.229,969 8.318,970 62.75,971 62.75,972 29,973 12.857,974 4.17,975 3.248,976 49.685,977 142,978 152,979 0.167,980 234.553,981 410.16,982 564.07,983 48119,984 3.2,985 23.656,986 0.696,987 0.573,988 21.916,989 19.482,990 16.55,991 0.436,992 0.308,993 11.464,994 15.643,995 11.237,996 9.248,997 15.746,998 11.703,999 14.812,1000 0.274,1001 0.163,1002 13.683,1003 8.812,1004 13.21,1005 0.179,1006 0.092,1007 12.228,1008 6.776,1009 10.862,1010 0.112,1011 0.051,1012 10.411,1013 4.928,1014 8.835,1015 0.07,1016 0.026,1017 8.44,1018 3.318,1019 0.259,1020 105.64,1021 0.197,1022 31.175,1023 0.468,1024 184,1025 634.607,1026 208.631,1027 550.779,1028 745.57,1029 518,1030 220,1031 544.927,1032 245.903,1033 537.36,1034 793.62,1035 504,1036 6.086}
{0 CHEMBL495736,1 1.572,2 13.73,3 4.762,4 22.672,5 149.92,6 7.207,7 0.415,8 4.384,9 4.508,10 3.926,11 3.879,12 5.385,13 3.852,14 4.975,15 5.167,16 4.29,17 4.301,18 5.901,19 4.246,20 5.252,21 5.474,22 4.408,23 4.496,24 6.126,25 4.405,26 5.375,27 5.628,28 4.332,29 4.505,30 6.238,31 4.391,32 5.372,33 5.635,34 4.296,35 4.494,36 6.179,37 4.372,38 5.338,39 5.596,40 4.291,41 4.481,42 6.178,43 4.358,44 5.314,45 5.572,46 4.259,47 4.446,48 6.152,49 4.33,50 5.268,51 5.523,52 4.267,53 4.385,54 6.15,55 4.288,56 0.032,57 1.067,58 16.486,59 6.737,60 11.48,61 9.275,62 0.413,63 1.745,64 33.118,65 11.321,66 35.697,67 15.9,68 0.428,69 2.197,70 45.882,71 14.988,72 41.015,73 21.984,74 0.704,75 2.36,76 52.861,77 16.112,78 62.964,79 24.04,80 0.652,81 2.312,82 51.386,83 16.514,84 58.493,85 24.714,86 0.711,87 2.265,88 51.355,89 15.985,90 57.625,91 23.955,92 0.538,93 2.193,94 49.141,95 15.443,96 53.049,97 23.043,98 0.704,99 2.064,100 47.672,101 13.902,102 63.094,103 20.726,104 26,105 57,106 0.245,107 0.56,108 0.757,109 0.837,110 0.842,111 0.846,112 3.642,113 0.986,114 -4.91,115 -4.81,116 -4.51,117 38.4,118 4,119 1,120 2,121 6,122 1,123 6,124 2,125 3,126 7,127 11,128 3,129 9,130 1,131 6,133 4,134 5,135 2,136 9,137 3,138 4,139 6,140 3,142 5,143 6,144 5,145 9,146 1,147 6,150 6,152 16,153 2,154 5,156 9,158 5,159 2845,160 25.591,161 25.591,162 25.591,163 25.591,164 25.591,165 23.607,166 38.982,167 14.917,168 26.467,169 20.06,170 20.06,171 20.06,172 20.06,173 20.06,174 16.87,175 60.276,176 6.858,177 21.389,178 4.618,179 2.598,180 1.329,181 0.815,182 0.788,183 0.76,184 4.351,185 1,187 1103,188 3.317,190 561.645,192 174.918,193 2.076,194 31.049,195 0.75,196 0.83,197 0.9,198 1,199 0.83,200 0.88,201 79.833,202 508,203 4.607,204 3.323,205 6.622,206 4.134,207 3.178,208 4.547,209 10.68,210 3.044,211 4.088,212 3.178,213 6.204,214 3.869,215 2.925,216 3.618,217 9.275,218 2.762,219 4.011,220 3.058,221 6.109,222 3.691,223 2.766,224 3.572,225 0.8,226 8.968,227 2.559,228 3.911,229 2.971,230 5.977,231 3.592,232 2.631,233 3.117,234 8.415,235 2.526,236 3.757,237 2.816,238 5.422,239 3.477,240 2.534,241 2.878,242 0.657,243 7.169,244 2.391,245 3.472,246 2.587,247 5.285,248 3.292,249 2.32,250 2.816,252 6.717,253 2.235,254 3.379,255 2.417,256 5.206,257 3.039,258 2.132,259 2.686,260 6.279,261 1.917,262 3.348,263 2.24,264 4.884,265 2.913,266 1.983,267 2.367,268 5.668,269 1.767,270 2.92,271 2.038,272 4.612,273 2.624,274 1.685,275 2.016,276 4.775,277 1.578,278 2.743,279 1.817,280 4.422,281 2.479,282 1.564,283 1.777,284 4.247,285 1.423,286 2.5,287 1.485,288 4.177,289 2.264,290 1.317,291 1.5,292 3.536,293 1.243,294 2.393,295 1.227,296 3.567,297 2.018,298 1.063,299 1.389,300 2.527,301 1.011,302 2.104,303 1.162,304 3.48,305 2,306 1,307 1.09,308 2.275,309 1,310 2.033,311 1.077,312 3.414,313 1.984,314 1,315 1,316 2.275,317 0.983,318 2,319 1.01,320 3.414,321 1.779,322 0.878,323 0.987,324 2.043,325 0.78,326 17.714,327 0.479,328 0.772,329 0.021,330 43,331 1.162,332 18,333 0.486,334 25,335 0.676,336 40.067,337 1.083,338 41.686,339 0.571,340 33.929,341 0.917,342 8.119,343 0.219,344 9.952,345 0.269,346 0.116,347 0.327,349 0.892,350 1.523,351 0.737,352 1.174,353 0.836,354 1.045,355 1.135,356 1.025,357 0.835,358 0.88,359 0.84,360 0.902,361 0.855,362 1.269,363 0.917,364 1.077,365 0.686,366 1.036,367 0.956,368 1.033,369 0.935,370 0.979,371 0.997,372 1.009,373 0.841,374 1.037,375 0.754,376 0.907,377 0.787,378 0.936,379 0.77,380 0.987,381 0.884,382 0.967,383 0.841,384 0.987,385 0.948,386 1.068,387 0.834,388 0.94,389 1.004,390 0.953,391 1.193,392 0.892,393 0.85,394 0.81,395 1.088,396 0.867,397 7.5,398 0.301,399 4.222,400 1.75,401 2.356,402 1.486,403 0.847,404 0.661,405 0.549,406 0.322,407 21489,408 52923,409 2.116,410 49.3,411 2,412 25,413 2,414 2,415 5,416 1.785,417 2,418 3.714,419 0.162,420 114.769,421 1.572,422 3.592,423 4.861,424 5.375,425 5.402,426 5.429,427 3.203,428 4.993,429 5.175,430 3.898,431 2595.88,432 9.133,433 42561.7,435 451.857,436 1.338,437 5.15,438 0.183,439 0.007,440 0.074,441 0.028,442 0.042,443 0.027,444 0.016,445 0.012,446 0.011,447 0.006,448 0.406,449 0.75,450 0.782,451 203.682,452 -0.04,453 -0.247,454 0.046,455 -0.082,456 -0.021,457 -0.01,458 -0.078,459 0.137,460 0.019,461 0.112,462 0.009,463 0.071,464 0.004,465 -0.178,466 -0.01,467 -0.081,468 0.065,469 -0.045,470 -0.018,471 0.016,472 -0.06,473 -0.045,474 -0.042,475 -0.054,476 0.025,477 -0.03,478 0.044,479 0.031,480 0.01,481 0.033,482 0.067,483 0.047,484 -0.013,485 -0.017,486 0.013,487 -0.016,488 -0.053,489 -0.05,490 0.006,491 0.004,492 -0.069,493 0.014,494 -0.094,495 0.139,496 0.016,497 0.105,498 -0.09,499 0.07,500 1.208,501 3.629,502 0.757,503 48.586,504 0.999,505 1.133,506 3.676,507 13.516,508 0.65,509 3.738,510 4.06,511 4.357,512 4.615,513 4.92,514 5.037,515 5.215,516 5.384,517 5.587,518 5.71,519 8.047,520 0.61,521 526.14,522 3.738,523 5.283,524 6.142,525 7.02,526 7.896,527 8.781,528 9.664,529 10.553,530 11.441,531 12.333,532 6.8,533 1,535 6,536 6,537 17,538 1,539 73,540 17,541 2,542 41,543 77,544 28,545 14,546 6,547 6,548 1,549 1,550 5,551 1,552 5,553 14,554 14,555 1,557 36,558 8,559 2,560 9,561 1,562 3,563 1,567 5,569 1,571 2,572 1,574 37,575 1,576 10,577 2,578 2,579 1,580 4.1,581 1,583 18.5,584 13.393,585 8.306,586 4.491,587 3.135,588 1.367,589 0.958,590 8.677,591 11.687,592 3.922,593 4.489,594 5.061,595 5.626,596 6.242,597 6.576,598 6.981,599 7.397,600 7.824,601 8.022,602 1,603 62,604 13.717,605 5.787,606 7.571,607 26.923,608 22.58,609 2.071,610 76.611,612 400.217,613 125.407,614 39.149,615 64.683,617 125.407,618 504.049,619 57.83,620 21.766,621 20.667,622 99.541,623 51.582,624 50.139,625 4.227,626 400.217,627 39.149,628 400.217,629 183.238,630 64.683,631 39.149,632 317.82,633 104.397,634 42.683,635 27.834,636 103.822,637 90.73,638 400.217,639 122.514,640 164.556,641 400.217,642 46.784,643 84.872,644 137.403,645 400.217,646 122.514,647 164.556,648 0.576,649 0.347,650 0.185,651 0.107,652 27,653 12,654 0.104,655 8,656 1.071,657 4.703,658 364.773,659 0.071,660 28,661 184.75,662 26.451,663 12.138,664 6.127,665 1.693,666 122.514,667 11.66,668 9.934,669 4.607,670 60.694,671 687.287,672 49.5,673 72.952,674 82.707,675 0.254,676 0.58,677 0.785,678 0.868,679 0.873,680 0.877,681 5.178,682 1.983,683 6.12,684 6.279,685 4.745,686 5.176,687 1.908,688 6.927,689 4.625,690 6.353,691 1.685,692 7.676,693 5.668,694 4.29,695 4.987,696 7.803,697 4.091,698 7.652,699 1.564,700 9.326,701 4.775,702 6.34,703 7.342,704 1.5,705 10.881,706 6.119,707 8.983,708 1.317,709 11.031,710 4.247,711 6.698,712 7.994,713 12.56,714 6.399,715 10.348,716 1.063,717 12.772,718 3.536,719 8.194,720 9.846,721 1.2,722 15.149,723 7.876,724 11.735,725 1,726 14.537,727 2.527,728 8.933,729 10.91,730 17.177,731 8.545,732 13.139,733 1,734 16.32,735 2.275,736 10.2,737 12.559,738 0.957,739 19.595,740 9.787,741 3.178,742 0.878,743 18.116,744 2.275,745 11.129,746 13.84,747 21.785,748 10.655,749 2.925,750 10.68,751 19.922,752 2.043,753 12.3,754 15.402,755 0.756,756 24.143,757 11.794,758 2.766,759 9.275,760 21.737,761 4.547,762 13.325,763 16.797,764 26.41,765 12.765,766 2.631,767 8.968,768 23.559,769 3.618,770 14.459,771 18.324,772 0.591,773 28.751,774 13.865,775 2.534,776 8.415,777 25.387,778 3.572,779 15.533,780 19.777,781 31.058,782 14.89,783 2.32,784 7.169,785 27.221,786 3.117,787 16.657,788 21.291,789 0.456,790 33.398,791 15.976,792 2.132,793 6.717,794 29.059,795 2.878,796 17.758,797 22.774,798 35.725,799 17.032,800 20267,801 32034,802 27.739,803 47.432,804 60.469,805 62.242,806 62.999,807 60.697,808 60.603,809 73.638,810 7.955,811 174.221,812 56.741,813 5.607,814 5.323,815 6.212,816 5.21,817 5.178,818 7.547,819 17.69,820 5.044,821 17.266,822 1.475,823 1.518,824 1.537,825 1.48,826 1.478,827 1.796,828 0.194,829 4.249,830 1.384,831 4.095,832 4.131,833 4.072,834 3.983,835 6.456,836 3.999,837 3.925,838 3.981,839 3.981,840 3.853,841 5.088,842 3.845,843 3.903,844 3.929,845 3.815,846 3.781,847 4.936,848 3.78,849 3.742,850 3.802,851 3.624,852 3.596,853 4.763,854 3.591,855 3.513,856 3.555,857 3.483,858 3.297,859 4.499,860 3.33,861 3.32,862 3.39,863 3.372,864 3.113,865 4.383,866 3.114,867 3.278,868 3.347,869 3.144,870 3.084,871 4.363,872 3.079,873 3.239,874 3.309,875 3.082,876 2.962,877 4.164,878 2.97,879 0.112,880 0.081,881 0.162,882 0.101,883 0.078,884 4.607,885 0.111,886 3.323,887 0.021,888 6.622,889 0.26,890 4.134,891 0.074,892 3.178,893 4.547,894 10.68,895 3.044,896 2.009,897 1.986,898 2.102,899 2.144,900 1.486,901 2.127,902 1.9,903 1.874,904 2.054,905 2.064,906 1.343,907 2.071,908 1.89,909 1.836,910 1.994,911 1.973,912 1.196,913 1.988,914 1.734,915 1.676,916 1.953,917 1.909,918 1.127,919 1.927,920 1.412,921 1.37,922 1.613,923 1.67,924 0.905,925 1.649,926 1.293,927 1.222,928 1.6,929 1.549,930 0.825,931 1.563,932 1.227,933 1.162,934 1.576,935 1.526,936 0.699,937 1.541,938 1.188,939 1.112,940 1.513,941 1.468,942 0.674,943 1.482,944 4.419,945 5.74,947 7.268,949 8.886,951 10.553,952 3.271,953 6.064,955 9.629,956 9.297,957 3.514,958 11.107,959 0.967,960 4.868,961 44.508,962 114.769,963 262.232,964 354.838,965 392.347,966 394.347,967 396.347,968 63.035,969 8.553,970 82.98,971 82.98,972 30,973 12.862,974 4.17,975 3.248,976 56.55,977 175,978 197,979 0.153,980 273.263,981 473.92,982 658.522,983 67468,984 1.4,985 25.777,986 0.697,987 0.605,988 26.277,989 22.376,990 18.072,991 0.441,992 0.329,993 12.912,994 16.994,995 12.57,996 10.367,997 18.36,998 13.473,999 15.803,1000 0.277,1001 0.183,1002 16.211,1003 10.417,1004 13.95,1005 0.181,1006 0.102,1007 14.238,1008 7.887,1009 11.391,1010 0.114,1011 0.056,1012 11.558,1013 5.643,1014 9.871,1015 0.073,1016 0.031,1017 10.107,1018 4.279,1019 0.242,1020 116.963,1021 0.19,1022 33.721,1023 0.42,1024 196,1025 530.737,1026 229.595,1027 533.518,1028 726.4,1029 504,1030 232,1031 509.074,1032 261.667,1033 526.164,1034 773.5,1035 493,1036 6.854}
{0 CHEMBL495737,1 1.555,2 14.342,3 5.083,4 25.834,5 154.675,6 7.107,7 0.405,8 4.42,9 4.545,10 3.948,11 3.915,12 5.409,13 3.884,14 5.013,15 5.207,16 4.308,17 4.337,18 5.926,19 4.276,20 5.296,21 5.524,22 4.423,23 4.531,24 6.152,25 4.435,26 5.407,27 5.66,28 4.351,29 4.543,30 6.258,31 4.423,32 5.416,33 5.681,34 4.305,35 4.527,36 6.211,37 4.398,38 5.381,39 5.644,40 4.281,41 4.507,42 6.19,43 4.372,44 5.353,45 5.618,46 4.258,47 4.456,48 6.179,49 4.335,50 5.287,51 5.54,52 4.238,53 4.408,54 6.143,55 4.306,56 0.04,57 1.105,58 17.417,59 7.071,60 11.539,61 9.806,62 0.421,63 1.808,64 34.713,65 11.898,66 35.668,67 16.83,68 0.466,69 2.275,70 48.266,71 15.678,72 41.862,73 23.151,74 0.695,75 2.432,76 54.491,77 16.962,78 61.981,79 25.3,80 0.677,81 2.403,82 53.726,83 17.157,84 59.684,85 25.856,86 0.683,87 2.339,88 53.377,89 16.822,90 55.304,91 25.246,92 0.645,93 2.241,94 52.716,95 15.636,96 57.045,97 23.718,98 0.692,99 2.106,100 48.466,101 14.423,102 59.084,103 21.4,104 26,105 58,106 0.24,107 0.547,108 0.75,109 0.841,110 0.845,111 0.849,112 3.668,113 0.998,114 -5.1,115 -5,116 -4.68,117 38.2,118 5,119 1,120 2,121 6,122 1,123 6,124 2,125 3,126 8,127 11,128 3,129 11,130 1,131 6,133 3,134 7,135 2,136 9,137 3,138 4,139 6,140 2,141 2,142 5,143 6,144 4,145 8,146 1,147 6,149 1,150 7,152 14,153 2,154 6,156 13,158 5,159 3128,160 26.298,161 26.298,162 26.298,163 26.298,164 26.298,165 24.314,166 38.982,167 15.403,168 27.183,169 20.56,170 20.56,171 20.56,172 20.56,173 20.56,174 17.37,175 57.42,176 7.085,177 21.897,178 4.693,179 2.708,180 1.398,181 0.809,182 0.783,183 0.757,184 4.376,185 1,187 1182,188 3.464,190 587.764,192 182.6,193 2.202,194 31.408,195 0.75,196 0.67,197 0.9,198 1,199 0.83,200 0.85,201 81.833,202 545,203 4.607,204 3.322,205 6.622,206 4.134,207 3.178,208 4.547,209 10.679,210 3.043,211 4.086,212 3.178,213 6.204,214 3.869,215 2.925,216 3.615,217 9.275,218 2.762,219 4.011,220 3.055,221 6.109,222 3.689,223 2.766,224 3.576,225 0.8,226 8.968,227 2.555,228 3.912,229 2.964,230 5.977,231 3.59,232 2.622,233 3.117,234 8.412,235 2.539,236 3.758,237 2.806,238 5.413,239 3.488,240 2.547,241 2.877,242 0.4,243 7.156,244 2.398,245 3.457,246 2.586,247 5.285,248 3.292,249 2.321,250 2.808,252 6.717,253 2.236,254 3.407,255 2.419,256 5.216,257 3.038,258 2.128,259 2.704,260 6.294,261 1.925,262 3.349,263 2.251,264 4.888,265 2.953,266 2.024,267 2.367,268 5.691,269 1.8,270 2.931,271 2.092,272 4.615,273 2.628,274 1.691,275 2.028,276 4.783,277 1.582,278 2.751,279 1.817,280 4.426,281 2.507,282 1.587,283 1.783,284 4.269,285 1.452,286 2.5,287 1.485,288 4.177,289 2.269,290 1.319,291 1.5,292 3.54,293 1.248,294 2.393,295 1.39,296 3.632,297 2.084,298 1.156,299 1.389,300 2.599,301 1.058,302 2.295,303 1.184,304 3.482,305 2.018,306 1.062,307 1.276,308 2.525,309 1.011,310 2.089,311 1.077,312 3.414,313 2,314 1,315 1.083,316 2.275,317 1,318 2,319 1.015,320 3.414,321 1.984,322 1,323 1,324 2.275,325 0.983,326 18.214,327 0.479,328 0.772,329 0.02,330 43.5,331 1.145,332 18,333 0.474,334 25.5,335 0.671,336 42.112,337 1.108,338 42.986,339 0.566,340 34.161,341 0.899,342 8.144,343 0.214,344 10.428,345 0.274,346 0.112,347 0.318,349 0.891,350 1.522,351 0.751,352 1.184,353 0.833,354 1.058,355 1.128,356 1.041,357 0.847,358 0.902,359 0.836,360 0.923,361 0.864,362 1.223,363 0.918,364 1.05,365 0.696,366 1.018,367 0.931,368 1.059,369 0.937,370 1.009,371 0.991,372 1.031,373 0.859,374 1.05,375 0.78,376 0.927,377 0.813,378 0.959,379 0.786,380 1.026,381 0.9,382 0.986,383 0.851,384 1.009,385 0.998,386 1.023,387 0.904,388 0.935,389 1.049,390 0.948,391 1.271,392 0.911,393 0.909,394 0.829,395 1.16,396 0.891,397 7.5,398 0.293,399 4.222,400 1.875,401 2.276,402 1.486,403 0.887,404 0.55,405 0.533,406 0.373,407 23554,408 57192,409 2.113,410 50,411 2,412 25,413 2,414 4,415 5,416 1.791,417 2,418 3.777,419 0.149,420 118.175,421 1.555,422 3.54,423 4.85,424 5.439,425 5.465,426 5.491,427 3.259,428 4.88,429 5.212,430 3.962,431 2785.44,432 9.208,433 47116.7,435 474.842,436 1.324,437 5.189,438 0.179,439 0.006,440 0.073,441 0.03,442 0.04,443 0.027,444 0.017,445 0.011,446 0.01,447 0.007,448 0.399,449 0.75,450 0.769,451 211.705,452 -0.034,453 -0.24,454 0.047,455 -0.08,456 -0.014,457 -0.009,458 -0.07,459 0.123,460 0.016,461 0.097,462 0.014,463 0.058,464 0.002,465 -0.134,466 -0.005,467 -0.054,468 0.058,469 -0.026,470 -0.004,471 -0.01,472 -0.06,473 -0.063,474 -0.037,475 -0.068,476 0.017,477 -0.039,478 0.022,479 0.009,480 -0.009,481 0.006,482 0.049,483 0.001,484 -0.026,485 -0.038,486 -0.007,487 -0.038,488 -0.051,489 -0.008,490 -0.013,492 -0.073,493 0.01,494 -0.139,495 0.12,496 -0.037,497 0.094,498 -0.138,499 0.05,500 1.206,501 3.639,502 0.737,503 52.543,504 0.998,505 1.133,506 3.869,507 14.971,508 0.647,509 3.761,510 4.078,511 4.369,512 4.625,513 4.92,514 5.03,515 5.198,516 5.352,517 5.545,518 5.673,519 8.384,520 0.606,521 540.17,522 3.761,523 5.303,524 6.159,525 7.034,526 7.907,527 8.789,528 9.67,529 10.556,530 11.441,531 12.331,532 6.6,533 1,535 6,536 6,537 17,538 1,539 76,540 17,541 2,542 42,543 80,544 29,545 14,546 6,547 6,548 1,549 1,550 5,551 1,552 6,553 14,554 15,555 1,557 38,558 8,559 2,560 9,561 1,562 3,563 1,567 5,569 1,571 2,572 1,574 38,575 1,576 11,577 2,578 2,579 1,580 3.9,581 1,583 19,584 13.893,585 8.556,586 4.741,587 3.115,588 1.363,589 0.956,590 9.232,591 11.703,592 3.942,593 4.5,594 5.067,595 5.63,596 6.236,597 6.557,598 6.941,599 7.328,600 7.72,601 7.877,602 0.9,603 63,604 14.096,605 5.929,606 7.556,607 27.739,608 23.247,609 2.056,610 78.111,612 423.76,613 127.942,614 39.149,615 64.683,617 127.942,618 527.591,619 57.83,620 21.766,621 23.201,622 99.541,623 51.582,624 50.139,625 4.227,626 423.76,627 39.149,628 423.76,629 185.772,630 64.683,631 39.149,632 317.82,633 127.94,634 42.683,635 30.369,636 103.822,637 90.73,638 423.76,639 122.514,640 167.091,641 423.76,642 49.318,643 84.872,644 137.403,645 423.76,646 122.514,647 167.091,648 0.574,649 0.346,650 0.185,651 0.106,652 27,653 12,654 0.113,655 9,656 1.071,657 4.815,658 373.963,659 0.071,660 28,661 189.421,662 27.413,663 12.798,664 6.54,665 1.728,666 122.514,667 11.822,668 9.964,669 4.793,670 60.694,671 713.364,672 50.5,673 75.836,674 86.122,675 0.249,676 0.567,677 0.776,678 0.87,679 0.875,680 0.879,681 5.194,682 2.024,683 6.133,684 6.294,685 4.762,686 5.187,687 1.824,688 6.934,689 4.645,690 6.365,691 1.691,692 7.685,693 5.691,694 4.29,695 4.987,696 7.803,697 4.091,698 7.661,699 1.587,700 9.332,701 4.783,702 6.351,703 7.346,704 1.426,705 10.882,706 6.133,707 8.99,708 1.319,709 11.035,710 4.269,711 6.698,712 7.994,713 12.56,714 6.401,715 10.352,716 1.156,717 12.775,718 3.54,719 8.199,720 9.847,721 1.153,722 15.149,723 7.886,724 11.738,725 1.062,726 14.539,727 2.599,728 8.933,729 10.91,730 17.176,731 8.548,732 13.141,733 1,734 16.321,735 2.525,736 10.202,737 12.559,738 0.931,739 19.594,740 9.794,741 3.178,742 1,743 18.116,744 2.275,745 11.128,746 13.84,747 21.784,748 10.658,749 2.925,750 10.679,751 19.922,752 2.275,753 12.3,754 15.402,755 0.742,756 24.142,757 11.799,758 2.766,759 9.275,760 21.737,761 4.547,762 13.324,763 16.797,764 26.409,765 12.768,766 2.622,767 8.968,768 23.559,769 3.615,770 14.458,771 18.324,772 0.583,773 28.75,774 13.867,775 2.547,776 8.412,777 25.387,778 3.576,779 15.531,780 19.777,781 31.056,782 14.892,783 2.321,784 7.156,785 27.22,786 3.117,787 16.655,788 21.291,789 0.452,790 33.396,791 15.977,792 2.128,793 6.717,794 29.058,795 2.877,796 17.755,797 22.774,798 35.724,799 17.032,800 22214,801 34833,802 28.433,803 49.194,804 61.775,805 63.509,806 64.167,807 61.937,808 61.873,809 74.912,810 7.44,811 176.738,812 57.999,813 5.607,814 5.322,815 6.212,816 5.209,817 5.178,818 7.547,819 17.687,820 5.043,821 17.637,822 1.471,823 1.512,824 1.528,825 1.475,826 1.473,827 1.784,828 0.177,829 4.208,830 1.381,831 4.094,832 4.13,833 4.069,834 3.982,835 6.456,836 3.997,837 3.928,838 3.981,839 3.988,840 3.867,841 5.087,842 3.858,843 3.913,844 3.942,845 3.815,846 3.78,847 4.937,848 3.78,849 3.742,850 3.802,851 3.624,852 3.596,853 4.763,854 3.591,855 3.544,856 3.596,857 3.508,858 3.35,859 4.499,860 3.365,861 3.399,862 3.459,863 3.401,864 3.209,865 4.378,866 3.221,867 3.308,868 3.375,869 3.164,870 3.1,871 4.359,872 3.092,873 3.25,874 3.316,875 3.109,876 2.974,877 4.183,878 2.985,879 0.11,880 0.079,881 0.158,882 0.098,883 0.076,884 4.607,885 0.108,886 3.322,887 0.02,888 6.622,889 0.254,890 4.134,891 0.072,892 3.178,893 4.547,894 10.679,895 3.043,896 2.008,897 1.984,898 2.102,899 2.144,900 1.486,901 2.127,902 1.912,903 1.887,904 2.057,905 2.064,906 1.343,907 2.07,908 1.893,909 1.836,910 2.015,911 1.987,912 1.24,913 2.005,914 1.734,915 1.676,916 1.954,917 1.91,918 1.162,919 1.927,920 1.481,921 1.425,922 1.695,923 1.709,924 0.905,925 1.705,926 1.337,927 1.285,928 1.602,929 1.585,930 0.875,931 1.588,932 1.287,933 1.218,934 1.585,935 1.541,936 0.825,937 1.558,938 1.194,939 1.12,940 1.576,941 1.524,942 0.695,943 1.54,944 4.443,945 5.759,947 7.281,949 8.896,951 10.559,952 3.283,953 6.046,955 9.639,956 10.3,957 3.552,958 11.128,959 0.974,960 4.883,961 46.034,962 118.175,963 269.007,964 368.604,965 413.333,966 415.333,967 417.333,968 66.293,969 8.588,970 82.98,971 82.98,972 30,973 12.861,974 4.17,975 3.248,976 58.903,977 187,978 210,979 0.149,980 282.855,981 491.22,982 681.927,983 71988,984 1.3,985 26.485,986 0.697,987 0.607,988 26.985,989 23.083,990 18.572,991 0.442,992 0.333,993 13.412,994 17.491,995 13.064,996 10.773,997 18.86,998 13.973,999 16.156,1000 0.279,1001 0.185,1002 16.564,1003 10.74,1004 14.191,1005 0.182,1006 0.104,1007 14.48,1008 8.133,1009 11.61,1010 0.115,1011 0.058,1012 11.777,1013 5.831,1014 9.967,1015 0.073,1016 0.032,1017 10.203,1018 4.39,1019 0.235,1020 119.963,1021 0.188,1022 34.605,1023 0.404,1024 200,1025 534.737,1026 233.595,1027 537.505,1028 732.08,1029 508,1030 236,1031 513.074,1032 265.501,1033 529.843,1034 778.38,1035 497,1036 6.409}
{0 CHEMBL496151,1 1.61,2 12.429,3 4.853,4 23.555,5 138.66,6 7.434,7 0.436,8 4.31,9 4.43,10 3.878,11 3.803,12 5.333,13 3.785,14 4.893,15 5.077,16 4.259,17 4.22,18 5.86,19 4.179,20 5.173,21 5.388,22 4.363,23 4.404,24 6.108,25 4.329,26 5.254,27 5.499,28 4.282,29 4.412,30 6.134,31 4.312,32 5.265,33 5.516,34 4.27,35 4.405,36 6.136,37 4.305,38 5.232,39 5.478,40 4.255,41 4.404,42 6.117,43 4.297,44 5.212,45 5.466,46 4.245,47 4.358,48 6.098,49 4.255,50 5.122,51 5.359,52 4.227,53 4.297,54 6.021,55 4.21,56 0.045,57 0.99,58 14.588,59 6.07,60 12.017,61 8.201,62 0.395,63 1.616,64 29.686,65 10.216,66 31.992,67 14.079,68 0.577,69 2.018,70 42.368,71 13.236,72 49.928,73 19.123,74 0.604,75 2.133,76 46.375,77 14.376,78 54.335,79 21.114,80 0.713,81 2.104,82 46.156,83 14.553,84 61.456,85 21.524,86 0.642,87 2.082,88 44.569,89 14.505,90 54.366,91 21.256,92 0.616,93 2.005,94 44.261,95 13.591,96 56.68,97 20.302,98 0.522,99 1.821,100 40.49,101 12.423,102 46.725,103 17.828,104 21,105 55,106 0.255,107 0.571,108 0.741,109 0.83,110 0.834,111 0.839,112 3.589,113 0.965,114 -4.51,115 -4.44,116 -4.18,117 38.8,118 4,120 2,121 4,122 2,123 6,124 1,125 4,126 4,127 10,128 4,129 6,130 1,131 6,132 1,133 4,134 5,135 2,136 10,137 2,138 1,139 4,140 3,141 3,142 6,143 5,144 2,145 8,146 1,147 8,148 1,150 5,152 10,153 1,154 5,156 9,157 2,158 5,159 2351,160 24.013,161 24.013,162 24.013,163 24.013,164 24.013,165 22.03,166 38.066,167 13.969,168 24.913,169 19.15,170 19.15,171 19.15,172 19.15,173 19.15,174 15.986,175 60.412,176 6.513,177 20.529,178 4.456,179 2.464,180 1.388,181 0.829,182 0.799,183 0.769,184 4.297,185 1,187 949,188 3,190 516.123,192 160.789,193 1.902,194 31.223,195 1,196 1,197 1,198 1,199 1,200 0.98,201 75.833,202 435,203 4.611,204 3.327,205 6.628,206 4.14,207 3.184,208 4.549,209 10.706,210 3.048,211 4.098,212 3.183,213 6.2,214 3.86,215 2.92,216 3.642,217 9.256,218 2.744,219 4.011,220 3.068,221 6.107,222 3.691,223 2.766,224 3.551,225 0.8,226 8.958,227 2.557,228 3.898,229 2.96,230 5.984,231 3.592,232 2.653,233 3.117,234 8.465,235 2.479,236 3.748,237 2.82,238 5.482,239 3.428,240 2.491,241 2.876,242 0.4,243 7.285,244 2.326,245 3.496,246 2.493,247 5.149,248 3.197,249 2.244,250 2.837,252 6.202,253 2.13,254 3.304,255 2.446,256 5.055,257 3.04,258 2.136,259 2.611,260 6.104,261 1.906,262 3.27,263 2.224,264 4.855,265 2.823,266 1.893,267 2.291,268 5.526,269 1.697,270 2.887,271 1.904,272 4.58,273 2.581,274 1.651,275 1.974,276 4.685,277 1.529,278 2.712,279 1.807,280 4.387,281 2.419,282 1.513,283 1.743,284 4.124,285 1.361,286 2.5,287 1.459,288 4.141,289 2.232,290 1.286,291 1.5,292 3.465,293 1.211,294 2.351,295 1.18,296 3.499,297 2.018,298 1.062,299 1.346,300 2.51,301 1.011,302 2.09,303 1.077,304 3.465,305 2,306 1,307 1.083,308 2.275,309 1,310 2,311 1.036,312 3.414,313 1.984,314 1,315 1,316 2.275,317 0.983,318 1.918,319 1,320 3.414,321 1.611,322 0.715,323 0.834,324 1.614,325 0.633,326 16.714,327 0.478,328 0.81,329 0.023,330 42,331 1.2,332 18,333 0.514,334 24,335 0.686,336 36.143,337 1.033,338 39.086,339 0.583,340 33.001,341 0.943,342 7.938,343 0.227,344 9.095,345 0.26,346 0.123,347 0.347,349 0.897,350 1.523,351 0.708,352 1.153,353 0.853,354 1.015,355 1.111,356 1.07,357 0.797,358 0.892,359 0.798,360 0.889,361 1,362 1.198,363 0.941,364 1.001,365 0.967,366 0.989,367 0.903,368 1.049,369 0.906,370 0.987,371 0.86,372 0.998,373 0.879,374 1.004,375 0.739,376 0.88,377 0.879,378 0.91,379 0.782,380 1.021,381 0.821,382 0.955,383 0.909,384 0.983,385 0.857,386 1.022,387 0.78,388 0.895,389 0.896,390 0.921,391 1.176,392 0.949,393 0.901,394 0.875,395 0.847,396 0.921,397 7.5,398 0.33,399 4,400 1.875,401 2.316,402 1.368,403 1.007,404 0.67,405 0.463,406 0.332,407 18119,408 45985,409 2.123,410 47.8,412 22,413 2,414 4,415 4,416 1.772,417 2,418 3.59,419 0.191,420 107.852,421 1.61,422 3.603,423 4.678,424 5.238,425 5.267,426 5.297,427 3.065,428 4.901,429 5.095,430 3.783,431 2251.17,432 8.976,433 34900,435 406.428,436 1.366,437 5.067,438 0.192,439 0.009,440 0.073,441 0.032,442 0.043,443 0.025,444 0.019,445 0.013,446 0.009,447 0.007,448 0.423,449 0.75,450 0.74,451 188.298,452 -0.052,453 -0.263,454 0.045,455 -0.087,456 -0.049,457 -0.011,458 -0.065,459 0.084,460 0.038,461 0.087,462 0.044,463 0.068,464 -0.026,465 -0.114,466 -0.03,467 -0.03,468 0.011,469 -0.024,470 -0.027,471 0.002,472 -0.041,473 -0.046,474 -0.024,475 -0.038,476 0.027,477 0.008,478 0.052,479 0.055,480 0.007,481 0.054,482 0.049,483 0.017,484 -0.001,485 -0.005,486 -0.011,487 -0.011,488 0.007,489 0.007,490 0.053,491 0.038,492 -0.023,493 0.041,494 -0.145,495 0.1,496 -0.006,497 0.065,498 -0.094,499 0.029,500 1.529,501 4.082,502 0.8,503 42.062,504 1.003,505 1.132,506 3.283,507 10.776,508 0.655,509 3.689,510 4.025,511 4.317,512 4.595,513 4.905,514 5.03,515 5.226,516 5.416,517 5.606,518 5.714,519 7.497,520 0.619,521 498.08,522 3.689,523 5.242,524 6.103,525 6.987,526 7.866,527 8.757,528 9.643,529 10.538,530 11.43,531 12.327,532 7.5,534 1,535 6,536 6,537 17,538 1,539 67,540 17,541 2,542 39,543 71,544 26,545 14,546 6,547 6,548 1,550 6,552 6,553 14,554 12,557 32,558 8,559 2,560 9,561 1,562 3,564 1,567 5,569 1,571 2,572 1,574 35,575 1,576 8,577 2,578 2,579 1,580 4.5,581 1,583 17.5,584 12.393,585 7.722,586 4.104,587 3.162,588 1.375,589 0.959,590 7.605,591 11.596,592 3.882,593 4.466,594 5.042,595 5.63,596 6.262,597 6.627,598 7.073,599 7.536,600 7.975,601 8.196,602 1,603 59,604 12.97,605 5.523,606 7.603,607 25.29,608 21.235,609 2.103,610 73.611,612 353.133,613 122.873,614 39.149,615 64.683,617 122.873,618 456.965,619 57.83,620 21.766,621 18.561,622 99.541,623 33.571,624 67.72,625 4.227,626 353.133,627 39.149,628 353.133,629 180.703,630 64.683,631 39.149,632 258.964,633 116.169,634 42.683,635 43.739,636 103.393,637 72.72,638 353.133,639 122.514,640 162.022,641 353.133,642 44.249,643 84.872,644 137.403,645 353.133,646 122.514,647 162.022,648 0.581,649 0.345,650 0.187,651 0.109,652 27,653 12,654 0.085,655 6,656 1.071,657 4.511,658 343.777,659 0.071,660 28,661 171.525,662 24.535,663 10.849,664 5.495,665 1.629,666 122.514,667 11.35,668 9.857,669 4.217,670 60.694,671 637.668,672 47.5,673 67.185,674 75.877,675 0.265,676 0.594,677 0.771,678 0.863,679 0.868,680 0.873,681 5.143,682 1.893,683 6.089,684 6.104,685 4.71,686 5.153,687 1.824,688 6.903,689 4.579,690 6.329,691 1.651,692 7.648,693 5.526,694 4.29,695 4.987,696 7.781,697 4.06,698 7.632,699 1.513,700 9.302,701 4.685,702 6.312,703 7.331,704 1.426,705 10.868,706 6.068,707 8.967,708 1.286,709 11.01,710 4.124,711 6.686,712 7.991,713 12.546,714 6.349,715 10.334,716 1.062,717 12.753,718 3.465,719 8.173,720 9.843,721 1.153,722 15.147,723 7.823,724 11.723,725 1,726 14.52,727 2.51,728 8.921,729 10.91,730 17.176,731 8.493,732 13.13,733 1,734 16.304,735 2.275,736 10.187,737 12.56,738 0.931,739 19.602,740 9.737,741 3.184,742 0.715,743 18.102,744 2.275,745 11.122,746 13.843,747 21.793,748 10.607,749 2.92,750 10.706,751 19.911,752 1.614,753 12.294,754 15.406,755 0.742,756 24.156,757 11.751,758 2.766,759 9.256,760 21.728,761 4.549,762 13.324,763 16.802,764 26.426,765 12.726,766 2.653,767 8.958,768 23.552,769 3.642,770 14.461,771 18.33,772 0.583,773 28.771,774 13.829,775 2.491,776 8.465,777 25.382,778 3.551,779 15.538,780 19.784,781 31.08,782 14.86,783 2.244,784 7.285,785 27.218,786 3.117,787 16.664,788 21.298,789 0.452,790 33.423,791 15.95,792 2.136,793 6.202,794 29.058,795 2.876,796 17.768,797 22.782,798 35.754,799 17.01,800 17028,801 27347,802 26.353,803 43.909,804 58.309,805 59.257,806 60.354,807 58.252,808 58.14,809 71.179,810 7.44,811 168.766,812 54.159,813 5.611,814 5.327,815 6.18,816 5.216,817 5.184,818 7.549,819 17.74,820 5.048,821 16.486,822 1.495,823 1.519,824 1.548,825 1.494,826 1.491,827 1.825,828 0.191,829 4.327,830 1.389,831 4.097,832 4.131,833 4.079,834 3.986,835 6.449,836 4.002,837 3.913,838 3.97,839 3.966,840 3.82,841 5.094,842 3.814,843 3.878,844 3.903,845 3.805,846 3.761,847 4.936,848 3.762,849 3.723,850 3.783,851 3.607,852 3.565,853 4.762,854 3.562,855 3.488,856 3.526,857 3.458,858 3.271,859 4.5,860 3.306,861 3.255,862 3.319,863 3.318,864 2.992,865 4.393,866 3.008,867 3.175,868 3.252,869 3.075,870 2.945,871 4.341,872 2.937,873 3.144,874 3.222,875 3.024,876 2.941,877 4.129,878 2.926,879 0.118,880 0.085,881 0.17,882 0.106,883 0.082,884 4.611,885 0.117,886 3.327,887 0.022,888 6.628,889 0.275,890 4.14,891 0.078,892 3.184,893 4.549,894 10.706,895 3.048,896 2.012,897 1.989,898 2.091,899 2.145,900 1.459,901 2.126,902 1.879,903 1.842,904 2.044,905 2.056,906 1.304,907 2.06,908 1.861,909 1.818,910 1.954,911 1.946,912 1.181,913 1.957,914 1.708,915 1.648,916 1.932,917 1.894,918 1.048,919 1.909,920 1.381,921 1.343,922 1.599,923 1.644,924 0.825,925 1.624,926 1.196,927 1.123,928 1.576,929 1.525,930 0.777,931 1.54,932 1.153,933 1.071,934 1.513,935 1.405,936 0.681,937 1.429,938 1.145,939 1.064,940 1.479,941 1.387,942 0.594,943 1.427,944 4.369,945 5.7,947 7.235,949 8.86,951 10.532,952 3.248,953 6.077,955 10.082,956 7.643,957 3.439,958 11.061,959 0.303,960 4.706,961 41.454,962 107.852,963 241.369,964 313.408,965 350.918,966 352.918,967 354.918,968 58.17,969 8.434,970 82.98,971 82.98,972 30,973 12.852,974 4.17,975 3.248,976 51.98,977 155,978 162,979 0.161,980 254.078,981 439.32,982 611.711,983 56641,984 1.5,985 24.363,986 0.696,987 0.599,988 24.863,989 20.962,990 17.034,991 0.437,992 0.322,993 11.996,994 15.971,995 11.69,996 9.624,997 17.322,998 12.55,999 15.292,1000 0.278,1001 0.176,1002 15.7,1003 9.674,1004 13.216,1005 0.179,1006 0.098,1007 13.505,1008 7.24,1009 11.034,1010 0.113,1011 0.053,1012 11.2,1013 5.222,1014 9.567,1015 0.071,1016 0.029,1017 9.803,1018 3.913,1019 0.252,1020 110.559,1021 0.195,1022 32.049,1023 0.446,1024 188,1025 522.737,1026 222.593,1027 526.156,1028 717.86,1029 496,1030 223,1031 509.395,1032 253.221,1033 524.31,1034 771.34,1035 492,1036 6.367}
{0 CHEMBL496152,1 1.59,2 13.167,3 5.262,4 27.687,5 143.411,6 7.316,7 0.425,8 4.348,9 4.469,10 3.908,11 3.834,12 5.35,13 3.815,14 4.94,15 5.129,16 4.277,17 4.243,18 5.874,19 4.202,20 5.19,21 5.402,22 4.39,23 4.436,24 6.084,25 4.361,26 5.298,27 5.54,28 4.32,29 4.467,30 6.15,31 4.362,32 5.349,33 5.611,34 4.306,35 4.468,36 6.162,37 4.358,38 5.291,39 5.539,40 4.291,41 4.465,42 6.124,43 4.351,44 5.285,45 5.543,46 4.284,47 4.429,48 6.12,49 4.316,50 5.217,51 5.464,52 4.255,53 4.367,54 6.075,55 4.264,56 0.015,57 1.025,58 15.498,59 6.392,60 11.089,61 8.73,62 0.445,63 1.658,64 32.008,65 10.63,66 33.931,67 14.7,68 0.547,69 2.067,70 43.114,71 13.553,72 42.215,73 19.669,74 0.564,75 2.241,76 48.17,77 15.215,78 49.425,79 22.412,80 0.748,81 2.259,82 50.782,83 15.764,84 58.122,85 23.632,86 0.628,87 2.201,88 47.268,89 15.576,90 48.715,91 22.908,92 0.607,93 2.146,94 47.692,95 14.889,96 50.667,97 22.326,98 0.512,99 1.972,100 44.885,101 13.92,102 48.267,103 20.245,104 26,105 56,106 0.25,107 0.545,108 0.725,109 0.828,110 0.832,111 0.837,112 3.616,113 0.97,114 -4.71,115 -4.63,116 -4.35,117 38.6,118 4,120 3,121 4,122 2,123 6,124 1,125 4,126 4,127 11,128 3,129 6,130 2,131 7,133 3,134 5,135 2,136 10,137 2,138 1,139 4,140 5,141 1,142 6,143 5,144 2,145 8,146 2,147 8,150 5,152 10,153 1,154 5,155 2,156 9,158 5,159 2576,160 24.884,161 24.884,162 24.884,163 24.884,164 24.884,165 22.9,166 40.223,167 14.471,168 25.921,169 19.577,170 19.577,171 19.577,172 19.577,173 19.577,174 16.413,175 63.698,176 6.659,177 21.065,178 4.539,179 2.659,180 1.515,181 0.861,182 0.832,183 0.804,184 4.325,185 1,187 1031,188 3.162,190 535.445,192 167.325,193 1.944,194 28.009,195 0.75,196 0.83,197 0.9,198 1,199 0.83,200 0.88,201 77.833,202 474,203 4.611,204 3.327,205 6.628,206 4.14,207 3.184,208 4.549,209 10.706,210 3.048,211 4.098,212 3.194,213 6.204,214 3.865,215 2.925,216 3.642,217 9.275,218 2.747,219 4.012,220 3.079,221 6.11,222 3.694,223 2.771,224 3.551,225 0.86,226 8.972,227 2.559,228 3.904,229 2.962,230 5.985,231 3.595,232 2.656,233 3.117,234 8.468,235 2.482,236 3.754,237 2.829,238 5.482,239 3.435,240 2.497,241 2.883,242 0.8,243 7.285,244 2.333,245 3.496,246 2.663,247 5.285,248 3.257,249 2.319,250 2.84,251 0.4,252 6.716,253 2.169,254 3.351,255 2.457,256 5.148,257 3.041,258 2.137,259 2.611,260 6.2,261 1.906,262 3.301,263 2.224,264 4.856,265 2.823,266 1.893,267 2.367,268 5.527,269 1.697,270 2.897,271 1.904,272 4.596,273 2.607,274 1.677,275 1.985,276 4.738,277 1.551,278 2.728,279 1.851,280 4.405,281 2.429,282 1.523,283 1.763,284 4.165,285 1.371,286 2.5,287 1.505,288 4.177,289 2.255,290 1.316,291 1.5,292 3.53,293 1.229,294 2.393,295 1.193,296 3.504,297 2.018,298 1.063,299 1.389,300 2.527,301 1.011,302 2.093,303 1.077,304 3.471,305 2,306 1,307 1.086,308 2.275,309 1,310 2,311 1.036,312 3.414,313 1.984,314 1,315 1,316 2.275,317 0.983,318 1.918,319 1,320 3.414,321 1.611,322 0.715,323 0.834,324 1.614,325 0.633,326 17.214,327 0.478,328 0.772,329 0.021,330 42.75,331 1.188,332 18,333 0.5,334 24.75,335 0.688,336 37.887,337 1.052,338 40.386,339 0.577,340 33.844,341 0.94,342 8.196,343 0.228,344 9.376,345 0.26,346 0.129,347 0.337,349 0.866,350 1.573,351 0.71,352 1.214,353 0.738,354 1.053,355 1.276,356 1.017,357 0.815,358 0.837,359 0.903,360 0.849,361 1.018,362 1.208,363 0.951,364 1.009,365 0.844,366 0.994,367 0.894,368 1.11,369 0.925,370 1.041,371 0.899,372 1.046,373 0.871,374 0.956,375 0.728,376 0.84,377 0.817,378 0.875,379 0.765,380 1.032,381 0.827,382 0.972,383 0.768,384 0.998,385 0.825,386 1.026,387 0.783,388 0.914,389 0.825,390 0.937,391 1.098,392 0.982,393 0.883,394 0.908,395 1.079,396 0.943,397 7.5,398 0.33,399 4,400 1.875,401 2.356,402 1.431,403 1.007,404 0.686,405 0.484,406 0.332,407 19588,408 48434,409 2.12,410 48.6,412 25,413 1,414 4,415 4,416 1.778,417 2,418 3.655,419 -0.355,420 111.33,421 1.59,422 3.47,423 4.614,424 5.268,425 5.297,426 5.326,427 3.086,428 4.892,429 5.136,430 3.837,431 2417.3,432 9.055,433 38393.1,435 429.05,436 1.352,437 5.109,438 0.188,439 0.009,440 0.071,441 0.031,442 0.042,443 0.026,444 0.018,445 0.013,446 0.01,447 0.007,448 0.414,449 0.75,450 0.795,451 195.784,452 -0.017,453 -0.305,454 0.059,455 -0.136,456 0.04,457 -0.034,458 -0.098,459 0.121,460 0.045,461 0.138,462 0.064,463 0.105,464 -0.026,465 -0.108,466 -0.033,467 -0.029,468 0.071,469 -0.025,470 -0.022,471 -0.046,472 -0.063,473 -0.09,474 -0.007,475 -0.08,476 0.029,477 0.048,478 0.071,479 0.088,480 0.06,481 0.087,482 0.053,483 0.009,484 -0.006,485 -0.016,486 0.044,487 -0.021,488 0.016,490 0.049,491 0.027,492 0.017,493 0.031,494 -0.11,495 0.049,496 0.007,497 0.036,498 -0.101,499 0.016,500 1.03,501 2.142,502 0.778,503 44.42,504 1.001,505 1.133,506 3.481,507 12.117,508 0.652,509 3.714,510 4.043,511 4.344,512 4.615,513 4.927,514 5.056,515 5.252,516 5.434,517 5.628,518 5.74,519 7.739,520 0.614,521 512.11,522 3.714,523 5.263,524 6.125,525 7.008,526 7.887,527 8.777,528 9.664,529 10.558,530 11.45,531 12.347,532 7.1,534 1,535 6,536 6,537 17,538 1,539 70,540 17,541 2,542 40,543 74,544 27,545 14,546 6,547 6,548 1,550 6,552 6,553 14,554 13,557 34,558 8,559 1,560 9,561 1,562 3,567 5,570 1,571 3,572 1,574 36,576 8,577 3,578 2,579 1,580 4.3,582 1,583 18,584 13.36,585 8.056,586 4.259,587 3.155,588 1.37,589 0.974,590 8.135,591 11.671,592 3.902,593 4.477,594 5.055,595 5.637,596 6.268,597 6.633,598 7.077,599 7.538,600 7.977,601 8.199,602 0.889,603 61,604 13.321,605 5.593,606 7.531,607 26.123,608 21.722,609 2.031,610 73.111,612 388.446,613 133.756,614 39.149,615 33,617 133.756,618 460.595,619 57.83,620 32.649,621 18.561,622 56.857,623 44.571,624 67.72,625 4.227,626 388.446,627 39.149,628 388.446,629 191.586,630 33,631 39.149,632 294.278,633 116.169,634 11,635 43.739,636 114.276,637 72.72,638 388.446,639 90.83,640 172.905,641 388.446,642 44.249,643 95.755,644 105.719,645 388.446,646 90.83,647 172.905,648 0.577,649 0.348,650 0.187,651 0.109,652 27,653 12,654 0.095,655 7,656 1.071,657 4.588,658 355.781,659 0.071,660 28,661 176.117,662 25.492,663 11.488,664 5.736,665 1.662,666 90.83,667 11.43,668 9.924,669 4.309,670 18.011,671 652.181,672 48.5,673 70.069,674 79.292,675 0.259,676 0.566,677 0.753,678 0.86,679 0.864,680 0.869,681 5.16,682 1.893,683 6.107,684 6.2,685 4.727,686 5.165,687 2.038,688 6.921,689 4.592,690 6.341,691 1.677,692 7.666,693 5.527,694 4.29,695 4.987,696 7.803,697 4.06,698 7.643,699 1.523,700 9.32,701 4.738,702 6.33,703 7.338,704 1.659,705 10.887,706 6.079,707 8.977,708 1.316,709 11.028,710 4.165,711 6.698,712 7.994,713 12.566,714 6.358,715 10.344,716 1.063,717 12.772,718 3.53,719 8.19,720 9.847,721 1.38,722 15.163,723 7.834,724 11.732,725 1,726 14.538,727 2.527,728 8.936,729 10.912,730 17.19,731 8.503,732 13.138,733 1,734 16.322,735 2.275,736 10.202,737 12.562,738 1.143,739 19.613,740 9.746,741 3.184,742 0.715,743 18.12,744 2.275,745 11.137,746 13.844,747 21.803,748 10.617,749 2.925,750 10.706,751 19.927,752 1.614,753 12.309,754 15.407,755 0.933,756 24.165,757 11.759,758 2.771,759 9.275,760 21.743,761 4.549,762 13.337,763 16.803,764 26.434,765 12.734,766 2.656,767 8.972,768 23.566,769 3.642,770 14.473,771 18.33,772 0.751,773 28.778,774 13.836,775 2.497,776 8.468,777 25.396,778 3.551,779 15.55,780 19.784,781 31.086,782 14.866,783 2.319,784 7.285,785 27.23,786 3.117,787 16.676,788 21.299,789 0.596,790 33.429,791 15.956,792 2.137,793 6.716,794 29.069,795 2.883,796 17.779,797 22.782,798 35.759,799 17.016,800 18476,801 29311,802 27.046,803 45.671,804 59.25,805 60.814,806 61.666,807 59.358,808 59.32,809 72.36,810 9.16,811 171.655,812 55.097,813 5.611,814 5.327,815 6.218,816 5.216,817 5.184,818 7.549,819 17.74,820 5.048,821 16.888,822 1.481,823 1.52,824 1.542,825 1.484,826 1.483,827 1.809,828 0.229,829 4.291,830 1.377,831 4.097,832 4.132,833 4.08,834 3.986,835 5.095,836 4.002,837 3.917,838 3.972,839 3.966,840 3.82,841 4.936,842 3.814,843 3.878,844 3.903,845 3.809,846 3.763,847 4.762,848 3.765,849 3.73,850 3.788,851 3.615,852 3.57,853 4.651,854 3.568,855 3.489,856 3.527,857 3.461,858 3.271,859 4.5,860 3.307,861 3.299,862 3.366,863 3.32,864 3.034,865 4.391,866 3.04,867 3.254,868 3.319,869 3.118,870 2.99,871 4.309,872 3.003,873 3.159,874 3.244,875 3.07,876 2.941,877 4.105,878 2.929,879 0.115,880 0.083,881 0.166,882 0.103,883 0.08,884 4.611,885 0.114,886 3.327,887 0.022,888 6.628,889 0.268,890 4.14,891 0.076,892 3.184,893 4.549,894 10.706,895 3.048,896 2.012,897 1.989,898 2.092,899 2.145,900 1.463,901 2.127,902 1.881,903 1.842,904 2.045,905 2.058,906 1.311,907 2.062,908 1.861,909 1.82,910 1.955,911 1.947,912 1.181,913 1.957,914 1.712,915 1.654,916 1.934,917 1.899,918 1.048,919 1.913,920 1.381,921 1.343,922 1.603,923 1.646,924 0.825,925 1.625,926 1.249,927 1.178,928 1.598,929 1.554,930 0.8,931 1.569,932 1.195,933 1.122,934 1.576,935 1.525,936 0.687,937 1.54,938 1.153,939 1.064,940 1.513,941 1.387,942 0.595,943 1.429,944 4.394,945 5.72,947 7.253,949 8.878,951 10.549,952 5.096,953 6.093,956 8.563,957 3.459,958 16.739,959 0.935,960 4.901,961 42.981,962 111.33,963 242.893,964 323.011,965 368.785,966 370.785,967 372.785,968 55.961,969 8.516,970 71.98,971 71.98,972 30,973 12.872,974 4.17,975 3.248,976 54.264,977 164,978 188,979 0.158,980 263.671,981 456.62,982 635.116,983 63134,984 1.4,985 25.07,986 0.696,987 0.609,988 25.57,989 21.923,990 17.572,991 0.439,992 0.323,993 12.355,994 16.424,995 11.996,996 9.906,997 17.86,998 12.936,999 15.461,1000 0.276,1001 0.176,1002 15.869,1003 9.878,1004 13.64,1005 0.179,1006 0.099,1007 13.929,1008 7.555,1009 11.256,1010 0.113,1011 0.054,1012 11.423,1013 5.397,1014 9.8,1015 0.072,1016 0.03,1017 10.036,1018 4.079,1019 0.248,1020 114.325,1021 0.192,1022 32.841,1023 0.435,1024 192,1025 538.323,1026 227.367,1027 537.012,1028 734.08,1029 508,1030 228,1031 519.759,1032 259.218,1033 536.204,1034 787.04,1035 501,1036 6.377}
{0 CHEMBL496356,1 1.59,2 13.167,3 4.919,4 24.2,5 143.6,6 7.316,7 0.425,8 4.348,9 4.47,10 3.902,11 3.842,12 5.361,13 3.819,14 4.934,15 5.122,16 4.273,17 4.263,18 5.876,19 4.214,20 5.214,21 5.435,22 4.391,23 4.457,24 6.103,25 4.373,26 5.329,27 5.579,28 4.323,29 4.471,30 6.207,31 4.365,32 5.329,33 5.586,34 4.305,35 4.467,36 6.167,37 4.357,38 5.298,39 5.549,40 4.291,41 4.47,42 6.151,43 4.353,44 5.296,45 5.555,46 4.288,47 4.423,48 6.159,49 4.313,50 5.215,51 5.461,52 4.256,53 4.346,54 6.117,55 4.251,56 0.034,57 1.028,58 15.543,59 6.403,60 11.439,61 8.74,62 0.4,63 1.682,64 31.388,65 10.805,66 35.231,67 15.035,68 0.452,69 2.123,70 44.049,71 14.111,72 41.5,73 20.663,74 0.693,75 2.268,76 50.403,77 15.451,78 61.28,79 22.849,80 0.696,81 2.237,82 49.33,83 15.684,84 60.852,85 23.41,86 0.616,87 2.217,88 47.645,89 15.764,90 52.983,91 23.254,92 0.563,93 2.151,94 48.318,95 14.937,96 56.948,97 22.393,98 0.66,99 1.938,100 45.402,101 13.442,102 60.426,103 19.474,104 26,105 56,106 0.25,107 0.565,108 0.75,109 0.834,110 0.838,111 0.843,112 3.616,113 0.976,114 -4.71,115 -4.63,116 -4.35,117 38.6,118 4,119 1,120 2,121 5,122 1,123 6,124 1,125 4,126 5,127 11,128 4,129 7,130 1,131 6,133 4,134 5,135 2,136 10,137 3,138 2,139 6,140 3,141 1,142 6,143 6,144 4,145 8,146 1,147 8,150 5,152 12,153 2,154 5,156 9,158 5,159 2576,160 24.884,161 24.884,162 24.884,163 24.884,164 24.884,165 22.9,166 38.756,167 14.471,168 25.762,169 19.577,170 19.577,171 19.577,172 19.577,173 19.577,174 16.413,175 61.928,176 6.659,177 20.918,178 4.539,179 2.532,180 1.357,181 0.822,182 0.793,183 0.764,184 4.325,185 1,187 1031,188 3.162,190 535.445,192 167.325,193 1.944,194 30.747,195 0.75,196 0.83,197 0.9,198 1,199 0.83,200 0.88,201 77.833,202 474,203 4.611,204 3.327,205 6.628,206 4.14,207 3.184,208 4.549,209 10.706,210 3.048,211 4.098,212 3.178,213 6.204,214 3.869,215 2.925,216 3.642,217 9.275,218 2.762,219 4.012,220 3.062,221 6.11,222 3.697,223 2.771,224 3.551,225 0.8,226 8.972,227 2.565,228 3.904,229 2.959,230 5.985,231 3.597,232 2.656,233 3.117,234 8.468,235 2.495,236 3.754,237 2.818,238 5.482,239 3.441,240 2.497,241 2.883,242 0.4,243 7.285,244 2.359,245 3.496,246 2.467,247 5.285,248 3.289,249 2.319,250 2.84,252 6.716,253 2.228,254 3.351,255 2.411,256 5.148,257 3.041,258 2.137,259 2.611,260 6.2,261 1.906,262 3.301,263 2.224,264 4.856,265 2.823,266 1.893,267 2.367,268 5.527,269 1.697,270 2.897,271 1.904,272 4.596,273 2.617,274 1.677,275 1.985,276 4.738,277 1.571,278 2.728,279 1.816,280 4.405,281 2.432,282 1.523,283 1.763,284 4.165,285 1.377,286 2.5,287 1.484,288 4.177,289 2.26,290 1.316,291 1.5,292 3.53,293 1.236,294 2.393,295 1.19,296 3.504,297 2.018,298 1.063,299 1.389,300 2.527,301 1.011,302 2.093,303 1.077,304 3.471,305 2,306 1,307 1.086,308 2.275,309 1,310 2,311 1.036,312 3.414,313 1.984,314 1,315 1,316 2.275,317 0.983,318 1.918,319 1,320 3.414,321 1.612,322 0.715,323 0.834,324 1.614,325 0.633,326 17.214,327 0.478,328 0.772,329 0.021,330 42.5,331 1.181,332 18,333 0.5,334 24.5,335 0.681,336 38.284,337 1.063,338 40.386,339 0.577,340 33.447,341 0.929,342 7.988,343 0.222,344 9.583,345 0.266,346 0.119,347 0.337,349 0.894,350 1.523,351 0.723,352 1.164,353 0.836,354 1.03,355 1.118,356 1.058,357 0.816,358 0.888,359 0.821,360 0.899,361 0.887,362 1.248,363 0.917,364 1.046,365 0.695,366 1.011,367 0.94,368 1.019,369 0.913,370 0.961,371 0.975,372 0.987,373 0.826,374 0.998,375 0.732,376 0.883,377 0.777,378 0.91,379 0.718,380 1.031,381 0.813,382 0.973,383 0.796,384 0.995,385 0.875,386 1.051,387 0.777,388 0.924,389 0.936,390 0.932,391 1.279,392 0.885,393 0.908,394 0.816,395 1.164,396 0.883,397 7.5,398 0.33,399 4,400 1.875,401 2.356,402 1.431,403 1.007,404 0.686,405 0.484,406 0.332,407 19588,408 48906,409 2.12,410 48.6,411 2,412 23,413 2,414 2,415 5,416 1.778,417 2,418 3.655,419 0.176,420 111.33,421 1.59,422 3.597,423 4.772,424 5.308,425 5.336,426 5.365,427 3.086,428 4.892,429 5.136,430 3.837,431 2417.3,432 9.055,433 38393.1,435 429.05,436 1.352,437 5.109,438 0.188,439 0.009,440 0.071,441 0.031,442 0.042,443 0.026,444 0.018,445 0.013,446 0.01,447 0.007,448 0.414,449 0.75,450 0.795,451 195.784,452 -0.046,453 -0.255,454 0.046,455 -0.085,456 -0.026,457 -0.01,458 -0.071,459 0.099,460 0.028,461 0.1,462 0.022,463 0.068,464 -0.013,465 -0.154,466 -0.012,467 -0.062,468 0.062,469 -0.031,470 -0.013,471 0.027,472 -0.042,473 -0.025,474 -0.026,475 -0.031,476 0.042,477 0.014,478 0.06,479 0.055,480 0.03,481 0.058,482 0.067,483 0.006,484 0.006,485 -0.015,486 0.019,487 -0.015,488 -0.009,489 -0.034,490 0.058,491 0.013,492 -0.022,493 0.033,494 -0.138,495 0.139,497 0.111,498 -0.133,499 0.057,500 1.21,501 3.619,502 0.778,503 44.42,504 1.001,505 1.133,506 3.481,507 12.117,508 0.652,509 3.714,510 4.043,511 4.344,512 4.615,513 4.927,514 5.056,515 5.252,516 5.434,517 5.628,518 5.74,519 7.739,520 0.614,521 512.11,522 3.714,523 5.263,524 6.125,525 7.008,526 7.887,527 8.777,528 9.664,529 10.558,530 11.45,531 12.347,532 7.1,534 1,535 6,536 6,537 17,538 1,539 70,540 17,541 2,542 40,543 74,544 27,545 14,546 6,547 6,548 1,549 1,550 5,551 1,552 5,553 14,554 13,555 1,557 34,558 8,559 2,560 9,561 1,562 3,563 1,567 5,569 1,571 2,572 1,574 36,575 1,576 9,577 2,578 2,579 1,580 4.3,581 1,583 18,584 12.893,585 8.056,586 4.304,587 3.155,588 1.37,589 0.961,590 8.135,591 11.671,592 3.902,593 4.477,594 5.055,595 5.637,596 6.268,597 6.633,598 7.077,599 7.538,600 7.977,601 8.199,602 0.889,603 61,604 13.337,605 5.647,606 7.586,607 26.106,608 21.921,609 2.086,610 75.111,612 376.675,613 122.873,614 39.149,615 64.683,617 122.873,618 480.507,619 57.83,620 21.766,621 18.561,622 99.541,623 33.571,624 67.72,625 4.227,626 376.675,627 39.149,628 376.675,629 180.703,630 64.683,631 39.149,632 294.278,633 104.397,634 42.683,635 43.739,636 103.393,637 72.72,638 376.675,639 122.514,640 162.022,641 376.675,642 44.249,643 84.872,644 137.403,645 376.675,646 122.514,647 162.022,648 0.577,649 0.348,650 0.187,651 0.109,652 27,653 12,654 0.095,655 7,656 1.071,657 4.588,658 355.781,659 0.071,660 28,661 178.117,662 25.492,663 11.488,664 5.736,665 1.641,666 122.514,667 11.383,668 9.897,669 4.251,670 60.694,671 661.21,672 48.5,673 70.069,674 79.292,675 0.259,676 0.587,677 0.779,678 0.866,679 0.871,680 0.875,681 5.16,682 1.893,683 6.107,684 6.2,685 4.727,686 5.165,687 1.824,688 6.921,689 4.603,690 6.341,691 1.677,692 7.666,693 5.527,694 4.29,695 4.987,696 7.803,697 4.081,698 7.643,699 1.523,700 9.32,701 4.738,702 6.33,703 7.338,704 1.426,705 10.887,706 6.099,707 8.977,708 1.316,709 11.028,710 4.165,711 6.698,712 7.994,713 12.566,714 6.385,715 10.344,716 1.063,717 12.772,718 3.53,719 8.19,720 9.847,721 1.153,722 15.163,723 7.858,724 11.732,725 1,726 14.538,727 2.527,728 8.936,729 10.912,730 17.19,731 8.532,732 13.138,733 1,734 16.322,735 2.275,736 10.202,737 12.562,738 0.931,739 19.613,740 9.773,741 3.184,742 0.715,743 18.12,744 2.275,745 11.137,746 13.844,747 21.803,748 10.645,749 2.925,750 10.706,751 19.927,752 1.614,753 12.309,754 15.407,755 0.742,756 24.165,757 11.786,758 2.771,759 9.275,760 21.743,761 4.549,762 13.337,763 16.803,764 26.434,765 12.761,766 2.656,767 8.972,768 23.566,769 3.642,770 14.473,771 18.33,772 0.583,773 28.778,774 13.862,775 2.497,776 8.468,777 25.396,778 3.551,779 15.55,780 19.784,781 31.086,782 14.891,783 2.319,784 7.285,785 27.23,786 3.117,787 16.676,788 21.299,789 0.452,790 33.429,791 15.98,792 2.137,793 6.716,794 29.069,795 2.883,796 17.779,797 22.782,798 35.759,799 17.038,800 18476,801 29439,802 27.046,803 45.671,804 59.25,805 60.877,806 61.666,807 59.365,808 59.32,809 72.36,810 7.44,811 171.655,812 55.421,813 5.611,814 5.327,815 6.218,816 5.216,817 5.184,818 7.549,819 17.74,820 5.048,821 16.888,822 1.481,823 1.522,824 1.542,825 1.484,826 1.483,827 1.809,828 0.186,829 4.291,830 1.386,831 4.098,832 4.133,833 4.08,834 3.987,835 6.456,836 4.002,837 3.925,838 3.982,839 3.966,840 3.82,841 5.094,842 3.814,843 3.878,844 3.903,845 3.815,846 3.781,847 4.936,848 3.78,849 3.742,850 3.802,851 3.624,852 3.596,853 4.762,854 3.591,855 3.492,856 3.53,857 3.463,858 3.274,859 4.5,860 3.309,861 3.312,862 3.379,863 3.322,864 3.102,865 4.397,866 3.095,867 3.254,868 3.319,869 3.136,870 2.991,871 4.363,872 3.005,873 3.159,874 3.243,875 3.07,876 2.941,877 4.161,878 2.929,879 0.115,880 0.083,881 0.166,882 0.103,883 0.08,884 4.611,885 0.114,886 3.327,887 0.022,888 6.628,889 0.268,890 4.14,891 0.076,892 3.184,893 4.549,894 10.706,895 3.048,896 2.012,897 1.989,898 2.102,899 2.145,900 1.486,901 2.128,902 1.895,903 1.844,904 2.052,905 2.065,906 1.343,907 2.071,908 1.862,909 1.834,910 1.963,911 1.947,912 1.181,913 1.958,914 1.734,915 1.676,916 1.943,917 1.909,918 1.048,919 1.925,920 1.384,921 1.345,922 1.604,923 1.648,924 0.905,925 1.627,926 1.29,927 1.22,928 1.596,929 1.546,930 0.825,931 1.562,932 1.196,933 1.123,934 1.576,935 1.525,936 0.695,937 1.54,938 1.153,939 1.064,940 1.513,941 1.387,942 0.596,943 1.429,944 4.394,945 5.72,947 7.253,949 8.878,951 10.549,952 3.256,953 6.087,955 9.619,956 8.635,957 3.449,958 11.083,959 0.959,960 4.848,961 42.981,962 111.33,963 251.819,964 334.03,965 371.54,966 373.54,967 375.54,968 60.049,969 8.516,970 82.98,971 82.98,972 30,973 12.872,974 4.17,975 3.248,976 54.264,977 164,978 188,979 0.158,980 263.671,981 456.62,982 635.116,983 63134,984 1.4,985 25.07,986 0.696,987 0.602,988 25.57,989 21.669,990 17.572,991 0.439,992 0.325,993 12.458,994 16.497,995 12.134,996 10.006,997 17.86,998 13.016,999 15.461,1000 0.276,1001 0.18,1002 15.869,1003 10.069,1004 13.64,1005 0.179,1006 0.1,1007 13.929,1008 7.621,1009 11.256,1010 0.113,1011 0.055,1012 11.423,1013 5.485,1014 9.8,1015 0.072,1016 0.03,1017 10.036,1018 4.137,1019 0.248,1020 113.917,1021 0.192,1022 32.841,1023 0.435,1024 192,1025 526.737,1026 225.928,1027 529.657,1028 722.4,1029 500,1030 228,1031 509.638,1032 257.834,1033 525.901,1034 773.72,1035 493,1036 7.237}
{0 CHEMBL508207,1 1.407,2 11.941,3 5.729,4 32.82,5 139.816,6 6.236,7 0.289,8 4.394,9 4.535,10 3.824,11 3.867,12 5.261,13 3.822,14 5.031,15 5.246,16 4.171,17 4.303,18 5.82,19 4.222,20 5.351,21 5.611,22 4.315,23 4.525,24 6.076,25 4.41,26 5.438,27 5.714,28 4.245,29 4.534,30 6.168,31 4.39,32 5.406,33 5.693,34 4.213,35 4.486,36 6.132,37 4.347,38 5.309,39 5.572,40 4.218,41 4.469,42 6.067,43 4.338,44 5.323,45 5.589,46 4.2,47 4.461,48 6.066,49 4.336,50 5.313,51 5.561,52 4.183,53 4.439,54 6.078,55 4.323,56 0.077,57 1.107,58 19.031,59 7.061,60 11.358,61 10.533,62 0.418,63 1.827,64 36.254,65 11.968,66 28.436,67 18.195,68 0.513,69 2.348,70 49.144,71 15.588,72 36.795,73 24.843,74 0.598,75 2.44,76 53.506,77 16.681,78 45.932,79 26.574,80 0.676,81 2.296,82 51.865,83 15.865,84 49.44,85 25.405,86 0.597,87 2.237,88 47.198,89 15.06,90 41.463,91 23.861,92 0.517,93 2.233,94 47.985,95 14.515,96 38.36,97 23.451,98 0.571,99 2.162,100 48.104,101 14.381,102 39.685,103 22.599,104 9,105 52,106 0.22,107 0.433,108 0.621,109 0.751,110 0.787,111 0.791,112 3.561,113 1.061,114 -5.5,115 -5.38,116 -5.02,117 36,118 11,120 2,121 4,122 2,123 2,124 1,125 2,126 8,127 11,128 3,129 8,130 1,131 6,133 3,134 6,135 2,136 10,137 2,138 3,139 6,140 3,142 6,143 8,144 2,145 10,146 1,147 7,150 6,152 16,153 1,154 6,156 9,158 4,159 2124,160 23.825,161 23.825,162 23.825,163 23.825,164 23.825,165 22.618,166 36.077,167 14.26,168 24.555,169 18.7,170 18.7,171 18.7,172 18.7,173 18.7,174 16.626,175 59.582,176 6.671,177 19.73,178 4.822,179 3.46,180 2.256,181 1.423,182 1.193,183 1.167,184 4.275,187 890,188 2.828,190 392.24,191 111.937,192 151.819,193 1.834,194 21.532,195 0.75,196 1,197 1,198 1,199 1,200 0.94,201 72.5,202 406,203 4.609,204 3.326,205 6.628,206 4.139,207 3.184,208 4.548,209 10.706,210 3.048,211 4.088,212 3.164,213 6.188,214 3.838,215 2.899,216 3.578,217 9.203,218 2.723,219 3.891,220 3.04,221 6.097,222 3.674,223 2.748,224 3.121,225 0.8,226 8.908,227 2.543,228 3.74,229 2.851,230 5.981,231 3.539,232 2.6,233 2.852,234 8.454,235 2.442,236 3.552,237 2.541,238 5.445,239 3.363,240 2.404,241 2.807,242 0.4,243 7.165,244 2.29,245 3.317,246 2.23,247 5.074,248 2.933,249 1.982,250 2.43,252 5.959,253 1.883,254 3,255 1.975,256 4.644,257 2.875,258 1.901,259 2.058,260 4.954,261 1.846,262 2.833,263 1.965,264 4.463,265 2.618,266 1.651,267 1.888,268 4.365,269 1.6,270 2.608,271 1.607,272 4.253,273 2.471,274 1.526,275 1.613,276 3.787,277 1.434,278 2.569,279 1.593,280 3.725,281 2.345,282 1.425,283 1.574,284 3.315,285 1.303,286 2.247,287 1.247,288 3.521,289 2.247,290 1.247,291 1.247,292 2.64,293 1.247,294 2.121,295 1.227,296 3.438,297 2.024,298 1.078,299 1.112,300 2.606,301 1.016,302 2,303 1.077,304 3.414,305 1.984,306 1,307 1,308 2.275,309 0.983,310 2,311 1.077,312 3.414,313 1.984,314 1,315 1,316 2.136,317 0.983,318 1.902,319 1.025,320 3.247,321 1.613,322 0.712,323 0.82,324 1.599,325 0.636,326 16.167,327 0.475,328 0.598,329 0.018,330 35,331 1.029,332 12,333 0.353,334 23,335 0.676,336 41.005,337 1.206,338 39.633,339 0.528,340 24.505,341 0.721,342 5.73,343 0.169,344 11.016,345 0.324,346 0.062,347 0.297,349 0.916,350 1.629,351 0.954,352 1.359,353 0.776,354 1.187,355 1.207,356 1.147,357 1.039,358 1.061,359 0.876,360 1.036,361 0.886,362 1.151,363 0.929,364 1.001,365 0.708,366 0.964,367 0.901,368 1.095,369 1.017,370 1.054,371 0.958,372 1.041,373 0.995,374 0.943,375 0.917,376 0.857,377 1.124,378 0.87,379 0.79,380 1.1,381 1.01,382 1.049,383 0.981,384 1.045,385 1.105,386 1.082,387 1.067,388 1.006,389 1.281,390 1.013,391 1.6,392 1.079,393 1.216,394 1.061,395 1.655,396 1.084,397 5.5,398 0.216,399 3.333,400 1.688,401 1.827,402 1.226,403 0.927,404 0.596,405 0.356,406 0.26,407 16755,408 29472,409 2.163,410 54.7,411 10,412 18,413 1,414 8,415 4,416 1.765,417 2.082,418 3.525,419 -0.392,420 105.51,421 1.407,422 2.769,423 3.972,424 4.806,425 5.035,426 5.062,427 2.94,428 4.558,429 5.054,430 3.72,431 2086.71,432 8.897,433 31532.1,435 467.161,436 1.166,437 5.043,438 0.145,439 0.006,440 0.064,441 0.029,442 0.035,443 0.024,444 0.018,445 0.012,446 0.007,447 0.006,448 0.345,449 0.63,450 0.631,451 180.758,452 0.031,453 -0.275,454 0.094,455 -0.112,456 0.148,457 -0.017,458 0.003,459 0.033,460 0.012,461 0.011,462 0.165,463 0.007,464 0.056,465 -0.07,466 0.075,467 0.016,468 0.192,469 0.046,470 0.044,471 -0.049,472 -0.019,473 -0.076,474 0.09,475 -0.058,476 0.051,477 0.058,478 0.084,479 0.1,480 0.038,481 0.097,482 0.12,483 -0.009,484 -0.007,485 -0.043,486 0.04,487 -0.041,488 -0.071,489 0.004,490 -0.05,491 -0.022,492 -0.154,493 -0.027,494 -0.192,495 0.004,496 -0.161,497 -0.075,498 -0.267,499 -0.105,500 0.955,501 2.111,502 0.853,503 39.322,504 0.988,505 1.138,506 4.271,507 18.24,508 0.622,509 3.664,510 3.97,511 4.277,512 4.554,513 4.852,514 5.017,515 5.193,516 5.371,517 5.553,518 5.659,519 7.226,520 0.574,521 467.73,522 3.664,523 5.198,524 6.057,525 6.932,526 7.809,527 8.695,528 9.581,529 10.473,530 11.364,531 12.261,532 6.7,533 1,535 2,536 4,537 11,539 75,540 11,541 1,542 38,543 79,544 27,545 8,546 4,547 2,550 13,552 13,553 8,554 19,557 41,558 7,559 1,560 7,562 2,567 4,568 1,571 2,574 34,576 15,577 2,578 2,580 2.7,583 16.333,584 13.717,585 7.639,586 5.217,587 2.339,588 1.28,589 0.968,590 8.083,591 10.683,592 3.795,593 4.311,594 4.879,595 5.461,596 6.082,597 6.503,598 6.927,599 7.33,600 7.703,601 7.794,602 0.875,603 59,604 12.69,605 5.344,606 7.343,607 25.726,608 22.033,609 1.843,610 62.667,612 470.844,613 96.452,615 22,617 96.452,618 492.844,619 57.83,620 21.766,621 36.303,622 18.952,623 51.582,624 43.452,625 4.227,626 470.844,628 470.844,629 154.283,630 22,632 329.591,633 163.253,635 43.47,636 59.231,637 51.582,638 470.844,639 79.83,640 96.452,641 470.844,642 55.734,643 46.967,644 55.571,645 470.844,646 79.83,647 96.452,648 0.569,649 0.342,650 0.19,651 0.108,652 25,653 10,654 0.076,655 6,656 1.069,657 4.468,658 330.288,659 0.069,660 29,661 158.974,662 24.088,663 11.408,664 5.632,665 1.922,666 79.83,667 4.025,668 10.13,669 3.209,670 18.011,671 647.127,672 43.5,673 74.068,674 85.384,675 0.226,676 0.445,677 0.638,678 0.772,679 0.808,680 0.813,681 5.055,682 1.651,683 6.019,684 4.954,685 4.654,686 4.997,687 1.824,688 6.821,689 4.55,690 6.197,691 1.526,692 7.565,693 4.365,694 4.111,695 4.783,696 7.687,697 3.928,698 7.483,699 1.425,700 9.212,701 3.787,702 6.232,703 7.122,704 1.426,705 10.799,706 6.022,707 8.805,708 1.247,709 10.921,710 3.315,711 6.553,712 7.825,713 12.497,714 6.255,715 10.168,716 1.078,717 12.669,718 2.64,719 8.086,720 9.651,721 1.153,722 15.101,723 7.768,724 11.558,725 1,726 14.444,727 2.606,728 8.819,729 10.781,730 17.145,731 8.423,732 12.969,733 1,734 16.236,735 2.275,736 10.105,737 12.414,738 0.931,739 19.571,740 9.681,741 3.184,742 0.712,743 18.042,744 2.136,745 11.04,746 13.747,747 21.77,748 10.552,749 2.899,750 10.706,751 19.858,752 1.599,753 12.221,754 15.304,755 0.742,756 24.134,757 11.7,758 2.748,759 9.203,760 21.682,761 4.548,762 13.255,763 16.733,764 26.407,765 12.679,766 2.6,767 8.908,768 23.512,769 3.578,770 14.397,771 18.261,772 0.583,773 28.753,774 13.785,775 2.404,776 8.454,777 25.347,778 3.121,779 15.479,780 19.735,781 31.064,782 14.82,783 1.982,784 7.165,785 27.187,786 2.852,787 16.609,788 21.252,789 0.452,790 33.408,791 15.912,792 1.901,793 5.959,794 29.03,795 2.807,796 17.716,797 22.747,798 35.74,799 16.976,800 15639,801 21005,802 26.235,803 46.643,804 55.73,805 56.641,806 57.46,807 55.776,808 55.824,809 64.511,810 7.44,811 157.999,812 52.918,813 5.609,814 5.326,815 6.43,816 5.218,817 5.184,818 7.548,819 17.74,820 5.048,821 11.249,822 1.467,823 1.491,824 1.512,825 1.468,826 1.469,827 1.698,828 0.196,829 4.158,830 1.393,831 4.096,832 4.133,833 4.065,834 3.981,835 5.085,836 3.997,837 3.91,838 3.969,839 3.797,840 3.765,841 4.763,842 3.763,843 3.849,844 3.907,845 3.708,846 3.731,847 4.499,848 3.717,849 3.717,850 3.782,851 3.591,852 3.566,853 4.384,854 3.558,855 3.503,856 3.549,857 3.418,858 3.291,859 4.331,860 3.32,861 3.319,862 3.396,863 3.172,864 3.131,865 4.168,866 3.13,867 3.278,868 3.364,869 3.057,870 3.125,871 4.075,872 3.097,873 3.248,874 3.315,875 3.056,876 2.967,877 3.946,878 2.977,879 0.121,880 0.088,881 0.174,882 0.109,883 0.084,884 4.609,885 0.12,886 3.326,887 0.023,888 6.628,889 0.282,890 4.139,891 0.08,892 3.184,893 4.548,894 10.706,895 3.048,896 2.008,897 1.985,898 2.099,899 2.144,900 1.469,901 2.126,902 1.881,903 1.82,904 2.051,905 2.056,906 1.343,907 2.063,908 1.717,909 1.658,910 1.975,911 1.896,912 1.336,913 1.919,914 1.713,915 1.649,916 1.954,917 1.883,918 1.32,919 1.912,920 1.712,921 1.647,922 1.932,923 1.873,924 1.164,925 1.901,926 1.371,927 1.331,928 1.599,929 1.636,930 0.825,931 1.62,932 1.195,933 1.121,934 1.576,935 1.525,936 0.825,937 1.54,938 1.153,939 1.064,940 1.513,941 1.389,942 0.689,943 1.429,944 4.344,945 5.652,947 7.166,948 2.708,949 8.776,950 4.977,951 10.44,952 3.367,956 18.728,957 3.81,958 11.194,959 1.177,960 5.104,961 43.019,962 105.51,963 207.686,964 297.934,965 360.432,966 377.652,967 379.652,968 51.429,969 8.344,970 62.75,971 62.75,972 31,973 12.787,974 3.585,975 2.7,976 49.719,977 146,978 164,979 0.164,980 260.124,981 451.44,982 626.462,983 51150,985 23.33,986 0.686,987 0.618,988 23.33,989 21.021,990 16.746,991 0.441,992 0.354,993 13.252,994 16.06,995 12.967,996 10.737,997 16.746,998 13.442,999 14.39,1000 0.277,1001 0.197,1002 14.39,1003 10.244,1004 12.728,1005 0.179,1006 0.113,1007 12.728,1008 8.04,1009 10.765,1010 0.115,1011 0.064,1012 10.765,1013 6.026,1014 9.177,1015 0.072,1016 0.036,1017 9.177,1018 4.561,1019 0.256,1020 105.08,1021 0.195,1022 31.253,1023 0.459,1024 180,1025 422.384,1026 196.969,1027 400.217,1028 565.7,1029 382,1030 213,1031 428.978,1032 231.58,1033 432.46,1034 640.22,1035 407,1036 7.409}
{0 CHEMBL521737,1 1.439,2 12.75,3 4.828,4 23.311,5 146.117,6 6.301,7 0.275,8 4.449,9 4.586,10 3.878,11 3.908,12 5.35,13 3.868,14 5.08,15 5.29,16 4.227,17 4.35,18 5.894,19 4.274,20 5.409,21 5.662,22 4.386,23 4.583,24 6.16,25 4.472,26 5.529,27 5.805,28 4.327,29 4.601,30 6.296,31 4.461,32 5.485,33 5.769,34 4.291,35 4.557,36 6.232,37 4.421,38 5.401,39 5.66,40 4.299,41 4.547,42 6.187,43 4.418,44 5.431,45 5.696,46 4.273,47 4.536,48 6.206,49 4.41,50 5.413,51 5.671,52 4.233,53 4.491,54 6.196,55 4.372,56 0.079,57 1.154,58 20.003,59 7.451,60 12.052,61 10.968,62 0.445,63 1.902,64 38.064,65 12.613,66 31.672,67 18.986,68 0.527,69 2.471,70 52.149,71 16.62,72 38.934,73 26.272,74 0.756,75 2.598,76 59.08,77 17.914,78 58.692,79 28.51,80 0.747,81 2.444,82 56.402,83 17.144,84 57.473,85 27.301,86 0.659,87 2.396,88 51.901,89 16.542,90 48.97,91 25.921,92 0.604,93 2.401,94 53.633,95 16.103,96 49.241,97 25.765,98 0.743,99 2.288,100 53.329,101 15.454,102 53.832,103 24.386,104 19,105 55,106 0.223,107 0.463,108 0.677,109 0.803,110 0.823,111 0.827,112 3.616,113 1.049,114 -4.95,115 -4.85,116 -4.55,117 35.4,118 10,119 1,120 2,121 5,122 2,123 2,124 1,125 2,126 8,127 11,128 4,129 8,130 1,131 6,133 4,134 6,135 2,136 10,137 3,138 4,139 6,140 3,142 6,143 8,144 4,145 10,146 1,147 7,150 6,152 16,153 2,154 6,156 9,158 4,159 2554,160 25.143,161 25.143,162 25.143,163 25.143,164 25.143,165 23.935,166 37.155,167 14.885,168 25.885,169 19.611,170 19.611,171 19.611,172 19.611,173 19.611,174 17.536,175 61.287,176 6.874,177 20.675,178 4.865,179 3.308,180 1.923,181 1.108,182 0.981,183 0.956,184 4.327,187 999,188 3.082,190 422.956,191 119.996,192 164.689,193 1.958,194 28.426,195 1,196 1,197 1,198 1,199 1,200 0.98,201 77.5,202 459,203 4.609,204 3.326,205 6.628,206 4.139,207 3.184,208 4.548,209 10.706,210 3.048,211 4.088,212 3.178,213 6.204,214 3.869,215 2.925,216 3.578,217 9.275,218 2.762,219 3.916,220 3.06,221 6.11,222 3.695,223 2.769,224 3.122,225 0.8,226 8.972,227 2.56,228 3.77,229 2.859,230 5.984,231 3.56,232 2.616,233 2.881,234 8.466,235 2.474,236 3.554,237 2.545,238 5.445,239 3.39,240 2.421,241 2.83,242 0.4,243 7.166,244 2.341,245 3.352,246 2.415,247 5.285,248 3.281,249 2.312,250 2.431,252 6.716,253 2.223,254 3.315,255 2.229,256 5.074,257 2.928,258 1.979,259 2.365,260 5.958,261 1.873,262 2.904,263 1.965,264 4.602,265 2.638,266 1.69,267 1.985,268 4.753,269 1.608,270 2.742,271 1.817,272 4.411,273 2.592,274 1.626,275 1.772,276 4.201,277 1.562,278 2.583,279 1.607,280 4.177,281 2.417,282 1.489,283 1.585,284 3.537,285 1.373,286 2.393,287 1.484,288 3.725,289 2.26,290 1.315,291 1.389,292 3.314,293 1.247,294 2.247,295 1.247,296 3.491,297 2.247,298 1.247,299 1.247,300 2.606,301 1.236,302 2.092,303 1.189,304 3.456,305 2.018,306 1.063,307 1.085,308 2.527,309 1.011,310 2,311 1.077,312 3.414,313 1.984,314 1,315 1,316 2.275,317 0.983,318 1.902,319 1.025,320 3.414,321 1.614,322 0.712,323 0.82,324 1.601,325 0.637,326 17,327 0.472,328 0.666,329 0.019,330 36.25,331 1.007,332 12,333 0.333,334 24.25,335 0.674,336 44.757,337 1.243,338 42.4,339 0.537,340 26.644,341 0.74,342 6.049,343 0.168,344 11.629,345 0.323,346 0.078,347 0.312,349 0.941,350 1.618,351 0.956,352 1.353,353 0.88,354 1.183,355 1.143,356 1.148,357 1.04,358 1.063,359 0.856,360 1.042,361 0.814,362 1.206,363 0.932,364 1.054,365 0.627,366 1.005,367 0.914,368 1.06,369 1.016,370 1.022,371 0.959,372 1.022,373 0.932,374 0.95,375 0.916,376 0.872,377 0.911,378 0.883,379 0.812,380 1.106,381 1.016,382 1.065,383 0.95,384 1.06,385 1.074,386 1.102,387 1.068,388 1.029,389 1.175,390 1.032,391 1.433,392 1.003,393 1.171,394 0.984,395 1.298,396 1.026,397 6.5,398 0.257,399 3.556,400 1.875,401 2.138,402 1.399,403 0.948,404 0.64,405 0.426,406 0.26,407 19533,408 37782,409 2.137,410 54.4,411 10,412 20,413 2,414 6,415 5,416 1.778,417 2.038,418 3.617,419 0.148,420 113.699,421 1.439,422 2.996,423 4.38,424 5.196,425 5.323,426 5.348,427 3.055,428 4.837,429 5.137,430 3.817,431 2404.57,432 9.057,433 38139.8,435 497.999,436 1.256,437 5.118,438 0.162,439 0.007,440 0.065,441 0.03,442 0.038,443 0.025,444 0.017,445 0.012,446 0.008,447 0.006,448 0.37,449 0.75,450 0.741,451 195.558,452 -0.012,453 -0.251,454 0.079,455 -0.089,456 0.022,457 -0.007,458 -0.036,459 0.046,460 -0.002,461 0.026,462 0.033,463 0.012,464 0.039,465 -0.107,466 0.059,467 -0.018,468 0.094,469 0.02,470 0.028,471 -0.019,472 -0.02,473 -0.05,474 0.016,475 -0.043,476 0.025,477 0.056,478 0.075,479 0.092,480 -0.005,481 0.091,482 0.067,483 -0.017,484 -0.023,485 -0.048,486 -0.021,487 -0.049,488 -0.081,489 -0.033,490 -0.061,491 -0.043,492 -0.131,493 -0.045,494 -0.156,495 0.052,496 -0.13,497 -0.018,498 -0.181,499 -0.06,500 1.189,501 3.64,502 0.806,503 43.775,504 0.991,505 1.139,506 3.721,507 13.844,508 0.618,509 3.714,510 4.025,511 4.331,512 4.605,513 4.905,514 5.075,515 5.242,516 5.416,517 5.606,518 5.714,519 7.677,520 0.573,521 497.76,522 3.714,523 5.252,524 6.111,525 6.989,526 7.867,527 8.754,528 9.64,529 10.532,530 11.423,531 12.32,532 6.3,533 1,535 2,536 4,537 11,539 79,540 11,541 1,542 40,543 83,544 28,545 8,546 4,547 2,549 1,550 12,551 1,552 12,553 8,554 20,555 1,557 43,558 8,559 2,560 8,562 3,563 1,567 4,568 1,569 1,571 2,574 36,575 1,576 15,577 2,578 3,580 3.8,581 1,583 17.667,584 14.25,585 8.139,586 5.317,587 2.333,588 1.274,589 0.944,590 8.838,591 10.849,592 3.839,593 4.35,594 4.909,595 5.482,596 6.098,597 6.517,598 6.936,599 7.336,600 7.711,601 7.804,602 1,603 63,604 13.439,605 5.684,606 7.444,607 27,608 23.154,609 1.944,610 70,612 482.615,613 93.918,615 64.683,617 93.918,618 547.298,619 57.83,620 21.766,621 33.768,622 61.636,623 51.582,624 43.452,625 4.227,626 482.615,628 482.615,629 151.748,630 64.683,632 353.133,633 151.482,634 42.683,635 40.936,636 59.231,637 51.582,638 482.615,639 122.514,640 93.918,641 482.615,642 53.199,643 46.967,644 98.254,645 482.615,646 122.514,647 93.918,648 0.569,649 0.345,650 0.19,651 0.108,652 26,653 11,654 0.084,655 7,656 1.069,657 4.594,658 355.613,659 0.069,660 29,661 176.117,662 25.965,663 12.254,664 6.093,665 1.872,666 122.514,667 3.99,668 10.114,669 3.106,670 60.694,671 699.046,672 45.5,673 78.279,674 90.009,675 0.228,676 0.475,677 0.695,678 0.824,679 0.844,680 0.848,681 5.104,682 1.69,683 6.08,684 5.958,685 4.71,686 5.037,687 1.824,688 6.887,689 4.607,690 6.248,691 1.626,692 7.631,693 4.753,694 4.205,695 4.832,696 7.758,697 4.039,698 7.536,699 1.489,700 9.28,701 4.201,702 6.297,703 7.149,704 1.426,705 10.858,706 6.095,707 8.857,708 1.315,709 10.988,710 3.537,711 6.635,712 7.849,713 12.546,714 6.359,715 10.217,716 1.247,717 12.734,718 3.314,719 8.15,720 9.665,721 1.153,722 15.146,723 7.846,724 11.603,725 1.063,726 14.504,727 2.606,728 8.889,729 10.791,730 17.18,731 8.515,732 13.009,733 1,734 16.292,735 2.527,736 10.165,737 12.42,738 0.931,739 19.605,740 9.758,741 3.184,742 0.712,743 18.093,744 2.275,745 11.1,746 13.751,747 21.798,748 10.632,749 2.925,750 10.706,751 19.904,752 1.601,753 12.276,754 15.307,755 0.742,756 24.161,757 11.772,758 2.769,759 9.275,760 21.724,761 4.548,762 13.309,763 16.735,764 26.431,765 12.75,766 2.616,767 8.972,768 23.55,769 3.578,770 14.447,771 18.262,772 0.583,773 28.775,774 13.85,775 2.421,776 8.466,777 25.382,778 3.122,779 15.527,780 19.736,781 31.084,782 14.882,783 2.312,784 7.166,785 27.219,786 2.881,787 16.655,788 21.253,789 0.452,790 33.427,791 15.97,792 1.979,793 6.716,794 29.059,795 2.83,796 17.761,797 22.747,798 35.758,799 17.031,800 18383,801 25771,802 27.334,803 48.859,804 58.541,805 59.927,806 60.805,807 58.559,808 58.663,809 67.351,810 7.44,811 167.242,812 55.592,813 5.609,814 5.326,815 6.426,816 5.218,817 5.184,818 7.548,819 17.74,820 5.048,821 14.569,822 1.464,823 1.498,824 1.52,825 1.464,826 1.467,827 1.684,828 0.186,829 4.181,830 1.39,831 4.097,832 4.134,833 4.066,834 3.982,835 6.456,836 3.998,837 3.925,838 3.981,839 3.816,840 3.784,841 5.085,842 3.783,843 3.849,844 3.907,845 3.708,846 3.732,847 4.763,848 3.718,849 3.742,850 3.802,851 3.623,852 3.596,853 4.499,854 3.591,855 3.507,856 3.551,857 3.43,858 3.293,859 4.377,860 3.323,861 3.332,862 3.407,863 3.186,864 3.136,865 4.331,866 3.136,867 3.298,868 3.368,869 3.121,870 3.125,871 4.161,872 3.097,873 3.278,874 3.364,875 3.057,876 3.097,877 4.075,878 3.087,879 0.115,880 0.083,881 0.166,882 0.103,883 0.08,884 4.609,885 0.114,886 3.326,887 0.022,888 6.628,889 0.268,890 4.139,891 0.076,892 3.184,893 4.548,894 10.706,895 3.048,896 2.008,897 1.985,898 2.102,899 2.145,900 1.486,901 2.127,902 1.894,903 1.837,904 2.053,905 2.064,906 1.348,907 2.07,908 1.735,909 1.676,910 1.975,911 1.911,912 1.337,913 1.93,914 1.717,915 1.658,916 1.96,917 1.884,918 1.336,919 1.912,920 1.712,921 1.647,922 1.934,923 1.873,924 1.164,925 1.903,926 1.375,927 1.334,928 1.604,929 1.641,930 0.905,931 1.623,932 1.289,933 1.219,934 1.596,935 1.545,936 0.825,937 1.561,938 1.195,939 1.121,940 1.576,941 1.525,942 0.695,943 1.54,944 4.394,945 5.707,947 7.223,948 2.708,949 8.835,950 4.977,951 10.5,952 3.343,955 9.64,956 16.524,957 3.798,958 11.194,959 1.463,960 4.956,961 45.261,962 113.699,963 236.649,964 346.05,965 410.489,966 420.489,967 422.489,968 62.689,969 8.516,970 82.98,971 82.98,972 31,973 12.846,974 3.585,975 2.7,976 54.242,977 163,978 188,979 0.159,980 273.712,981 477.53,982 659.618,983 63838,985 24.907,986 0.692,987 0.612,988 24.907,989 22.046,990 17.678,991 0.442,992 0.35,993 13.772,994 16.913,995 13.475,996 11.139,997 17.678,998 13.983,999 15.193,1000 0.276,1001 0.197,1002 15.193,1003 10.833,1004 13.479,1005 0.18,1006 0.113,1007 13.479,1008 8.458,1009 11.291,1010 0.114,1011 0.064,1012 11.291,1013 6.321,1014 9.634,1015 0.072,1016 0.036,1017 9.634,1018 4.776,1019 0.249,1020 111.379,1021 0.191,1022 32.809,1023 0.439,1024 190,1025 464.534,1026 208.409,1027 437.06,1028 608.82,1029 416,1030 225,1031 450.493,1032 245.075,1033 454.617,1034 672.51,1035 427,1036 7.721}
{0 CHEMBL526474,1 1.572,2 13.892,3 5.328,4 28.387,5 148.351,6 7.207,7 0.415,8 4.385,9 4.508,10 3.932,11 3.872,12 5.377,13 3.848,14 4.979,15 5.172,16 4.291,17 4.285,18 5.895,19 4.236,20 5.23,21 5.447,22 4.407,23 4.482,24 6.098,25 4.397,26 5.369,27 5.622,28 4.352,29 4.51,30 6.197,31 4.401,32 5.37,33 5.624,34 4.342,35 4.519,36 6.182,37 4.406,38 5.38,39 5.641,40 4.326,41 4.529,42 6.177,43 4.405,44 5.35,45 5.61,46 4.323,47 4.483,48 6.165,49 4.366,50 5.288,51 5.539,52 4.293,53 4.418,54 6.139,55 4.313,56 0.013,57 1.063,58 16.447,59 6.724,60 11.024,61 9.262,62 0.458,63 1.724,64 33.647,65 11.213,66 35.508,67 15.646,68 0.433,69 2.168,70 44.782,71 14.429,72 38.6,73 21.201,74 0.695,75 2.349,76 52.569,77 16.184,78 54.158,79 24.061,80 0.668,81 2.345,82 51.047,83 16.51,84 55.243,85 24.674,86 0.664,87 2.371,88 52.221,89 16.983,90 50.685,91 25.341,92 0.557,93 2.27,94 50.939,95 15.984,96 50.493,97 24.013,98 0.659,99 2.078,100 48.826,101 14.75,102 53.93,103 21.511,104 27,105 57,106 0.245,107 0.54,108 0.734,109 0.832,110 0.836,111 0.84,112 3.642,113 0.98,114 -4.91,115 -4.81,116 -4.51,117 38.4,118 4,119 1,120 3,121 5,122 1,123 6,124 1,125 4,126 5,127 12,128 3,129 7,130 1,131 7,133 3,134 5,135 3,136 11,137 2,138 1,139 6,140 3,141 1,142 6,143 8,144 2,145 8,146 1,147 8,150 5,151 1,152 12,153 1,154 5,156 9,158 5,159 2818,160 25.591,161 25.591,162 25.591,163 25.591,164 25.591,165 23.607,166 40.913,167 15.076,168 26.625,169 20.115,170 20.115,171 20.115,172 20.115,173 20.115,174 16.951,175 64.254,176 6.954,177 21.599,178 4.618,179 2.721,180 1.48,181 0.853,182 0.826,183 0.798,184 4.351,185 1,187 1115,188 3.317,190 555.511,192 174.042,193 2.02,194 27.88,195 0.75,196 0.83,197 0.9,198 1,199 0.83,200 0.88,201 79.833,202 514,203 4.611,204 3.327,205 6.628,206 4.14,207 3.184,208 4.549,209 10.706,210 3.048,211 4.098,212 3.179,213 6.204,214 3.87,215 2.926,216 3.642,217 9.278,218 2.763,219 4.012,220 3.064,221 6.11,222 3.698,223 2.771,224 3.551,225 0.86,226 8.973,227 2.565,228 3.905,229 2.959,230 5.985,231 3.598,232 2.656,233 3.117,234 8.468,235 2.496,236 3.755,237 2.819,238 5.482,239 3.443,240 2.499,241 2.884,242 0.8,243 7.285,244 2.362,245 3.497,246 2.516,247 5.309,248 3.301,249 2.337,250 2.841,251 0.4,252 6.836,253 2.233,254 3.369,255 2.453,256 5.148,257 3.041,258 2.137,259 2.611,260 6.2,261 1.906,262 3.301,263 2.224,264 4.856,265 2.823,266 1.893,267 2.385,268 5.527,269 1.698,270 2.901,271 1.934,272 4.598,273 2.63,274 1.692,275 1.988,276 4.753,277 1.581,278 2.736,279 1.903,280 4.408,281 2.438,282 1.529,283 1.772,284 4.18,285 1.382,286 2.5,287 1.675,288 4.183,289 2.276,290 1.345,291 1.5,292 3.56,293 1.246,294 2.429,295 1.395,296 3.509,297 2.018,298 1.068,299 1.426,300 2.546,301 1.011,302 2.103,303 1.173,304 3.474,305 2,306 1,307 1.094,308 2.275,309 1,310 2,311 1.077,312 3.414,313 1.984,314 1,315 1,316 2.275,317 0.983,318 2,319 1.036,320 3.414,321 1.86,322 1,323 1,324 1.733,325 0.851,326 17.714,327 0.479,328 0.772,329 0.021,330 43.25,331 1.169,332 18,333 0.486,334 25.25,335 0.682,336 39.989,337 1.081,338 41.686,339 0.571,340 34.261,341 0.926,342 8.227,343 0.222,344 9.845,345 0.266,346 0.125,347 0.327,349 0.864,350 1.571,351 0.724,352 1.223,353 0.727,354 1.067,355 1.282,356 1.007,357 0.834,358 0.836,359 0.911,360 0.861,361 0.905,362 1.277,363 0.941,364 1.075,365 0.753,366 1.04,367 0.932,368 1,369 0.897,370 0.941,371 0.902,372 0.964,373 0.819,374 1.057,375 0.756,376 0.938,377 0.798,378 0.958,379 0.72,380 0.983,381 0.798,382 0.927,383 0.706,384 0.954,385 0.858,386 1.06,387 0.785,388 0.942,389 0.823,390 0.95,391 1.227,392 0.899,393 0.902,394 0.84,395 1.169,396 0.902,397 7.5,398 0.33,399 4,400 1.875,401 2.356,402 1.458,403 1.047,404 0.686,405 0.496,406 0.347,407 21217,408 51595,409 2.116,410 49.3,411 2,412 26,413 1,414 2,415 5,416 1.784,417 2,418 3.718,419 -0.365,420 114.769,421 1.572,422 3.469,423 4.71,424 5.337,425 5.364,426 5.392,427 3.185,428 4.885,429 5.175,430 3.898,431 2595.99,432 9.131,433 42256.2,435 451.857,436 1.338,437 5.15,438 0.183,439 0.008,440 0.07,441 0.03,442 0.041,443 0.025,444 0.018,445 0.012,446 0.01,447 0.007,448 0.405,449 0.75,450 0.922,451 203.436,452 -0.012,453 -0.296,454 0.059,455 -0.131,456 0.058,457 -0.032,458 -0.103,459 0.134,460 0.034,461 0.147,462 0.057,463 0.102,464 -0.015,465 -0.168,466 -0.029,467 -0.083,468 0.095,469 -0.054,470 -0.003,471 0.044,472 -0.022,473 -0.001,474 0.018,475 -0.004,476 0.044,477 -0.031,478 0.036,479 0.01,480 0.06,481 0.015,482 0.065,483 0.045,484 0.027,485 0.023,486 0.072,487 0.022,488 -0.004,489 -0.04,490 0.05,491 0.001,492 0.024,493 0.02,494 -0.119,495 0.122,496 0.001,497 0.094,498 -0.125,499 0.045,500 1.028,501 2.06,502 0.757,503 47.302,504 0.999,505 1.133,506 3.676,507 13.516,508 0.65,509 3.738,510 4.06,511 4.357,512 4.635,513 4.942,514 5.075,515 5.273,516 5.455,517 5.642,518 5.759,519 8.012,520 0.61,521 526.14,522 3.738,523 5.283,524 6.142,525 7.024,526 7.901,527 8.79,528 9.676,529 10.57,530 11.461,531 12.358,532 6.8,534 1,535 6,536 6,537 17,538 1,539 73,540 17,541 2,542 41,543 77,544 28,545 14,546 6,547 6,548 1,550 5,551 1,552 5,553 14,554 14,555 1,557 36,558 8,559 1,560 9,561 1,562 3,567 5,570 1,571 3,572 1,574 37,576 9,577 3,578 2,579 1,580 4.1,582 1,583 18.5,584 13.86,585 8.306,586 4.454,587 3.148,588 1.366,589 0.968,590 8.677,591 11.74,592 3.922,593 4.489,594 5.061,595 5.644,596 6.272,597 6.637,598 7.08,599 7.541,600 7.978,601 8.2,602 1,603 62,604 13.696,605 5.73,606 7.517,607 26.939,608 22.403,609 2.017,610 74.611,612 411.989,613 138.348,614 39.149,615 33,617 138.348,618 484.137,619 57.83,620 32.649,621 23.153,622 56.857,623 44.571,624 67.72,625 4.227,626 411.989,627 39.149,628 411.989,629 196.179,630 33,631 39.149,632 329.591,633 104.397,634 11,635 48.332,636 114.276,637 72.72,638 411.989,639 90.83,640 177.497,641 411.989,642 48.842,643 95.755,644 105.719,645 411.989,646 90.83,647 177.497,648 0.573,649 0.343,650 0.189,651 0.109,652 27,653 12,654 0.104,655 8,656 1.071,657 4.678,658 367.113,659 0.071,660 28,661 184.75,662 26.451,663 12.138,664 6.127,665 1.67,666 90.83,667 11.452,668 9.953,669 4.329,670 18.011,671 680.316,672 49.5,673 72.952,674 82.707,675 0.254,676 0.56,677 0.761,678 0.862,679 0.867,680 0.871,681 5.178,682 1.893,683 6.12,684 6.2,685 4.745,686 5.176,687 2.038,688 6.93,689 4.616,690 6.353,691 1.692,692 7.676,693 5.527,694 4.29,695 4.987,696 7.803,697 4.081,698 7.652,699 1.529,700 9.326,701 4.753,702 6.34,703 7.342,704 1.659,705 10.893,706 6.105,707 8.983,708 1.345,709 11.033,710 4.18,711 6.698,712 7.994,713 12.569,714 6.385,715 10.348,716 1.068,717 12.775,718 3.56,719 8.197,720 9.848,721 1.38,722 15.167,723 7.863,724 11.736,725 1,726 14.542,727 2.546,728 8.938,729 10.912,730 17.193,731 8.533,732 13.141,733 1,734 16.325,735 2.275,736 10.208,737 12.562,738 1.143,739 19.616,740 9.777,741 3.184,742 1,743 18.122,744 2.275,745 11.139,746 13.844,747 21.806,748 10.647,749 2.926,750 10.706,751 19.929,752 1.733,753 12.313,754 15.407,755 0.933,756 24.167,757 11.789,758 2.771,759 9.278,760 21.745,761 4.549,762 13.34,763 16.803,764 26.435,765 12.763,766 2.656,767 8.973,768 23.568,769 3.642,770 14.477,771 18.33,772 0.751,773 28.779,774 13.864,775 2.499,776 8.468,777 25.397,778 3.551,779 15.553,780 19.784,781 31.087,782 14.893,783 2.337,784 7.285,785 27.232,786 3.117,787 16.679,788 21.299,789 0.596,790 33.43,791 15.982,792 2.137,793 6.836,794 29.071,795 2.884,796 17.781,797 22.782,798 35.76,799 17.04,800 20075,801 31594,802 27.739,803 47.432,804 60.736,805 61.943,806 63.075,807 60.677,808 60.62,809 73.659,810 9.16,811 174.28,812 56.446,813 5.611,814 5.327,815 6.398,816 5.216,817 5.184,818 7.549,819 17.74,820 5.048,821 17.278,822 1.481,823 1.511,824 1.538,825 1.48,826 1.479,827 1.797,828 0.223,829 4.251,830 1.377,831 4.098,832 4.133,833 4.08,834 3.987,835 5.095,836 4.002,837 3.927,838 3.983,839 3.966,840 3.82,841 4.936,842 3.814,843 3.878,844 3.903,845 3.817,846 3.783,847 4.762,848 3.782,849 3.746,850 3.804,851 3.628,852 3.598,853 4.64,854 3.593,855 3.494,856 3.533,857 3.465,858 3.274,859 4.5,860 3.31,861 3.396,862 3.456,863 3.326,864 3.149,865 4.393,866 3.152,867 3.254,868 3.319,869 3.22,870 2.991,871 4.346,872 3.006,873 3.161,874 3.245,875 3.072,876 2.941,877 4.151,878 2.929,879 0.112,880 0.081,881 0.162,882 0.101,883 0.078,884 4.611,885 0.111,886 3.327,887 0.021,888 6.628,889 0.261,890 4.14,891 0.074,892 3.184,893 4.549,894 10.706,895 3.048,896 2.012,897 1.989,898 2.102,899 2.145,900 1.488,901 2.128,902 1.896,903 1.844,904 2.052,905 2.066,906 1.346,907 2.072,908 1.862,909 1.835,910 1.964,911 1.947,912 1.181,913 1.959,914 1.736,915 1.678,916 1.943,917 1.912,918 1.048,919 1.927,920 1.388,921 1.347,922 1.663,923 1.66,924 0.922,925 1.652,926 1.342,927 1.278,928 1.599,929 1.624,930 0.825,931 1.619,932 1.196,933 1.123,934 1.576,935 1.525,936 0.697,937 1.54,938 1.153,939 1.064,940 1.513,941 1.388,942 0.597,943 1.429,944 4.419,945 5.74,947 7.268,949 8.888,951 10.558,952 5.082,953 6.101,956 9.775,957 3.467,958 16.552,959 1.251,960 4.979,961 44.508,962 114.769,963 253.201,964 343.818,965 389.593,966 391.593,967 393.593,968 58.618,969 8.592,970 71.98,971 71.98,972 30,973 12.884,974 4.17,975 3.248,976 56.597,977 174,978 214,979 0.155,980 273.263,981 473.92,982 658.522,983 70022,984 1.4,985 25.777,986 0.697,987 0.612,988 26.277,989 22.63,990 18.072,991 0.441,992 0.327,993 12.813,994 16.918,995 12.431,996 10.288,997 18.36,998 13.397,999 15.841,1000 0.278,1001 0.181,1002 16.25,1003 10.342,1004 13.759,1005 0.179,1006 0.101,1007 14.048,1008 7.765,1009 11.556,1010 0.113,1011 0.056,1012 11.722,1013 5.708,1014 9.957,1015 0.072,1016 0.031,1017 10.193,1018 4.261,1019 0.244,1020 117.417,1021 0.19,1022 33.656,1023 0.423,1024 196,1025 542.323,1026 230.703,1027 541.547,1028 738.18,1029 512,1030 232,1031 518.85,1032 262.831,1033 537.567,1034 787.87,1035 501,1036 6.638}