"molecule_id","FCFP4_1024b455","FCFP4_1024b133","FCFP4_1024b282","FCFP4_1024b723","FCFP4_1024b66","FCFP4_1024b938","FCFP4_1024b264","FCFP4_1024b397","FCFP4_1024b77","FCFP4_1024b270","FCFP4_1024b399","FCFP4_1024b983","FCFP4_1024b301","FCFP4_1024b412","FCFP4_1024b252","FCFP4_1024b1","FCFP4_1024b10","FCFP4_1024b100","FCFP4_1024b1000","FCFP4_1024b1001","FCFP4_1024b1002","FCFP4_1024b1003","FCFP4_1024b1004","FCFP4_1024b1005","FCFP4_1024b1006","FCFP4_1024b1007","FCFP4_1024b1008","FCFP4_1024b1009","FCFP4_1024b101","FCFP4_1024b1010","FCFP4_1024b1011","FCFP4_1024b1012","FCFP4_1024b1013","FCFP4_1024b1014","FCFP4_1024b1015","FCFP4_1024b1016","FCFP4_1024b1017","FCFP4_1024b1018","FCFP4_1024b1019","FCFP4_1024b102","FCFP4_1024b1020","FCFP4_1024b1021","FCFP4_1024b1022","FCFP4_1024b1023","FCFP4_1024b1024","FCFP4_1024b103","FCFP4_1024b104","FCFP4_1024b105","FCFP4_1024b106","FCFP4_1024b107","FCFP4_1024b108","FCFP4_1024b109","FCFP4_1024b11","FCFP4_1024b110","FCFP4_1024b111","FCFP4_1024b112","FCFP4_1024b113","FCFP4_1024b114","FCFP4_1024b115","FCFP4_1024b116","FCFP4_1024b117","FCFP4_1024b118","FCFP4_1024b119","FCFP4_1024b12","FCFP4_1024b120","FCFP4_1024b121","FCFP4_1024b122","FCFP4_1024b123","FCFP4_1024b124","FCFP4_1024b125","FCFP4_1024b126","FCFP4_1024b127","FCFP4_1024b128","FCFP4_1024b129","FCFP4_1024b13","FCFP4_1024b130","FCFP4_1024b131","FCFP4_1024b132","FCFP4_1024b134","FCFP4_1024b135","FCFP4_1024b136","FCFP4_1024b137","FCFP4_1024b138","FCFP4_1024b139","FCFP4_1024b14","FCFP4_1024b140","FCFP4_1024b141","FCFP4_1024b142","FCFP4_1024b143","FCFP4_1024b144","FCFP4_1024b145","FCFP4_1024b146","FCFP4_1024b147","FCFP4_1024b148","FCFP4_1024b149","FCFP4_1024b15","FCFP4_1024b150","FCFP4_1024b151","FCFP4_1024b152","FCFP4_1024b153","FCFP4_1024b154","FCFP4_1024b155","FCFP4_1024b156","FCFP4_1024b157","FCFP4_1024b158","FCFP4_1024b159","FCFP4_1024b16","FCFP4_1024b160","FCFP4_1024b161","FCFP4_1024b162","FCFP4_1024b163","FCFP4_1024b164","FCFP4_1024b165","FCFP4_1024b166","FCFP4_1024b167","FCFP4_1024b168","FCFP4_1024b169","FCFP4_1024b17","FCFP4_1024b170","FCFP4_1024b171","FCFP4_1024b172","FCFP4_1024b173","FCFP4_1024b174","FCFP4_1024b175","FCFP4_1024b176","FCFP4_1024b177","FCFP4_1024b178","FCFP4_1024b179","FCFP4_1024b18","FCFP4_1024b180","FCFP4_1024b181","FCFP4_1024b182","FCFP4_1024b183","FCFP4_1024b184","FCFP4_1024b185","FCFP4_1024b186","FCFP4_1024b187","FCFP4_1024b188","FCFP4_1024b189","FCFP4_1024b19","FCFP4_1024b190","FCFP4_1024b191","FCFP4_1024b192","FCFP4_1024b193","FCFP4_1024b194","FCFP4_1024b195","FCFP4_1024b196","FCFP4_1024b197","FCFP4_1024b198","FCFP4_1024b199","FCFP4_1024b2","FCFP4_1024b20","FCFP4_1024b200","FCFP4_1024b201","pXC50"
{16 1,118 1,119 1,129 1,151 1,155 4.057}
{0 CHEMBL105350,16 1,51 1,118 1,119 1,137 1,151 1,155 4.743}
{0 CHEMBL1160346,1 1,16 1,135 1,151 1,155 4.167}
{0 CHEMBL1160349,1 1,16 1,48 1,59 1,84 1,99 1,106 1,118 1,119 1,135 1,139 1,151 1,155 5.921}
{0 CHEMBL1160350,1 1,16 1,48 1,59 1,84 1,99 1,106 1,118 1,119 1,135 1,139 1,151 1,155 5.444}
{0 CHEMBL1160353,1 1,16 1,48 1,59 1,99 1,106 1,118 1,119 1,135 1,139 1,151 1,155 4.959}
{0 CHEMBL116438,16 1,51 1,73 1,118 1,119 1,151 1,155 4.987}
{0 CHEMBL117,16 1,84 1,102 1,118 1,119 1,137 1,151 1,155 4.08}
{0 CHEMBL1233129,16 1,48 1,59 1,99 1,106 1,151 1,155 2.38}
{0 CHEMBL127840,1 1,14 1,16 1,48 1,59 1,76 1,99 1,106 1,129 1,135 1,151 1,155 7.796}
{0 CHEMBL128447,1 1,14 1,16 1,48 1,59 1,76 1,99 1,106 1,135 1,151 1,155 6.745}
{0 CHEMBL128836,1 1,14 1,16 1,48 1,59 1,76 1,99 1,106 1,129 1,135 1,151 1,155 7.745}
{0 CHEMBL128867,1 1,14 1,16 1,48 1,59 1,99 1,106 1,135 1,151 1,155 5.928}
{0 CHEMBL128872,1 1,16 1,48 1,59 1,84 1,99 1,106 1,118 1,119 1,135 1,139 1,151 1,155 5.461}
{0 CHEMBL128935,1 1,16 1,48 1,59 1,99 1,106 1,118 1,119 1,135 1,139 1,151 1,155 4.756}
{0 CHEMBL129435,1 1,16 1,48 1,59 1,99 1,106 1,135 1,151 1,155 4.117}
{0 CHEMBL129597,1 1,14 1,16 1,48 1,59 1,76 1,99 1,106 1,135 1,151 1,155 6.097}
{0 CHEMBL129965,1 1,14 1,16 1,48 1,59 1,76 1,99 1,106 1,129 1,135 1,151 1,155 6.77}
{0 CHEMBL131578,1 1,16 1,48 1,59 1,84 1,99 1,106 1,118 1,119 1,135 1,139 1,151 1,155 4.796}
{0 CHEMBL150,16 1,44 1,84 1,102 1,118 1,119 1,137 1,151 1,155 4.686}
{0 CHEMBL151,16 1,84 1,102 1,118 1,119 1,137 1,151 1,155 5.114}
{0 CHEMBL15193,16 1,44 1,117 1,118 1,119 1,151 1,155 4.43}
{0 CHEMBL153671,16 1,50 1,118 1,119 1,138 1,151 1,155 4.8}
{0 CHEMBL1543,16 1,48 1,59 1,99 1,106 1,151 1,155 3.02}
{0 CHEMBL15770,16 1,65 1,84 1,91 1,118 1,119 1,151 1,155 4.108}
{0 CHEMBL159603,1 1,16 1,38 1,48 1,99 1,106 1,151 1,155 5.565}
{0 CHEMBL1624076,1 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,16 1,84 1,118 1,119 1,151 1,155 5.924}
{0 CHEMBL164,16 1,44 1,84 1,102 1,118 1,119 1,137 1,151 1,155 6.252}
{0 CHEMBL164263,16 1,48 1,99 1,106 1,151 1,155 4.032}
{0 CHEMBL1669724,16 1,51 1,84 1,118 1,119 1,151 1,155 5.337}
{0 CHEMBL1669725,16 1,51 1,73 1,118 1,119 1,137 1,151 1,155 4.538}
{0 CHEMBL1669726,16 1,51 1,65 1,73 1,118 1,119 1,143 1,150 1,151 1,152 1,155 4.745}
{0 CHEMBL1669727,16 1,51 1,73 1,118 1,119 1,151 1,155 5.337}
{0 CHEMBL1669728,16 1,51 1,73 1,84 1,118 1,119 1,151 1,155 5.585}
{0 CHEMBL1669729,16 1,51 1,73 1,84 1,118 1,119 1,151 1,155 5.495}
{0 CHEMBL1669730,16 1,39 1,51 1,73 1,118 1,119 1,151 1,155 5.444}
{0 CHEMBL1669733,16 1,118 1,119 1,127 1,151 1,155 4.041}
{0 CHEMBL1669734,5 1,16 1,42 1,109 1,118 1,119 1,127 1,129 1,151 1,155 4.569}
{0 CHEMBL1669737,16 1,118 1,119 1,127 1,151 1,155 4.187}
{0 CHEMBL1669738,16 1,151 1,155 4.409}
{0 CHEMBL169254,16 1,59 1,84 1,99 1,106 1,118 1,119 1,120 1,122 1,151 1,155 4.81}
{0 CHEMBL1701911,16 1,30 1,50 1,73 1,118 1,119 1,151 1,155 4.031}
{0 CHEMBL189171,12 1,16 1,20 1,25 1,38 1,67 1,73 1,84 1,118 1,119 1,129 1,151 1,155 4.6}
{0 CHEMBL1910548,16 1,73 1,118 1,119 1,129 1,151 1,155 5.699}
{0 CHEMBL1910549,16 1,30 1,50 1,73 1,118 1,119 1,129 1,151 1,155 4.263}
{0 CHEMBL211958,16 1,51 1,73 1,113 1,118 1,119 1,151 1,155 4.046}
{0 CHEMBL218644,16 1,48 1,59 1,84 1,99 1,106 1,118 1,119 1,120 1,122 1,151 1,155 5.35}
{0 CHEMBL2203963,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,16 1,46 1,84 1,118 1,119 1,129 1,151 1,155 6.585}
{0 CHEMBL2203964,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,15 1,16 1,84 1,116 1,118 1,119 1,129 1,151 1,155 7.959}
{0 CHEMBL2203965,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,16 1,84 1,118 1,119 1,129 1,151 1,155 6.523}
{0 CHEMBL2203966,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,15 1,16 1,84 1,116 1,118 1,119 1,129 1,151 1,155 6.523}
{0 CHEMBL2203967,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,15 1,16 1,84 1,116 1,118 1,119 1,129 1,151 1,155 6.292}
{0 CHEMBL2203968,1 1,3 1,4 1,5 1,7 1,8 1,9 1,15 1,16 1,84 1,118 1,119 1,129 1,151 1,155 5.818}
{0 CHEMBL2203969,1 1,3 1,4 1,5 1,7 1,8 1,9 1,15 1,16 1,84 1,118 1,119 1,129 1,151 1,155 5.082}
{0 CHEMBL2203970,1 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,16 1,64 1,84 1,118 1,119 1,151 1,155 5.09}
{0 CHEMBL2203971,1 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,16 1,84 1,118 1,119 1,151 1,155 5.076}
{0 CHEMBL2203972,1 1,7 1,8 1,9 1,16 1,27 1,84 1,118 1,119 1,151 1,152 1,155 5}
{0 CHEMBL2203973,1 1,7 1,8 1,9 1,16 1,27 1,54 1,84 1,118 1,119 1,129 1,151 1,155 5}
{0 CHEMBL2203974,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,12 1,15 1,16 1,84 1,118 1,119 1,129 1,143 1,150 1,151 1,152 1,155 6.553}
{0 CHEMBL2203975,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,12 1,16 1,58 1,68 1,84 1,118 1,119 1,143 1,150 1,151 1,152 1,155 6.602}
{0 CHEMBL2203976,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,15 1,16 1,39 1,84 1,118 1,119 1,129 1,151 1,155 7.398}
{0 CHEMBL2203977,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,16 1,39 1,84 1,118 1,119 1,129 1,151 1,155 6.319}
{0 CHEMBL2203978,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,15 1,16 1,46 1,84 1,116 1,118 1,119 1,129 1,151 1,155 7.854}
{0 CHEMBL280562,16 1,48 1,59 1,99 1,106 1,151 1,155 4.03}
{0 CHEMBL281309,16 1,48 1,59 1,99 1,106 1,129 1,151 1,155 5}
{0 CHEMBL281927,16 1,48 1,57 1,59 1,84 1,99 1,106 1,118 1,119 1,120 1,122 1,151 1,155 4.61}
{0 CHEMBL282132,16 1,48 1,59 1,84 1,99 1,106 1,118 1,119 1,120 1,122 1,129 1,151 1,155 3.57}
{0 CHEMBL282188,16 1,41 1,48 1,59 1,99 1,106 1,118 1,119 1,144 1,151 1,155 3.36}
{0 CHEMBL283234,16 1,48 1,59 1,84 1,99 1,106 1,118 1,119 1,122 1,151 1,155 4.17}
{0 CHEMBL283590,16 1,48 1,59 1,84 1,99 1,106 1,118 1,119 1,120 1,122 1,151 1,155 4.68}
{0 CHEMBL284395,16 1,48 1,59 1,73 1,99 1,106 1,118 1,119 1,120 1,122 1,151 1,155 4.31}
{0 CHEMBL28626,16 1,44 1,84 1,102 1,118 1,119 1,124 1,137 1,151 1,155 4.52}
{0 CHEMBL286809,16 1,17 1,48 1,59 1,82 1,99 1,106 1,118 1,119 1,120 1,122 1,151 1,155 4.94}
{0 CHEMBL287043,16 1,48 1,59 1,99 1,106 1,118 1,119 1,151 1,155 3.71}
{0 CHEMBL287328,16 1,48 1,59 1,99 1,106 1,118 1,119 1,151 1,155 4.41}
{0 CHEMBL30795,16 1,39 1,48 1,59 1,64 1,99 1,106 1,118 1,119 1,120 1,122 1,151 1,155 5.01}
{0 CHEMBL31207,6 1,16 1,34 1,73 1,102 1,118 1,119 1,137 1,151 1,155 4.95}
{0 CHEMBL31299,16 1,48 1,59 1,84 1,99 1,106 1,118 1,119 1,120 1,122 1,151 1,155 4.52}
{0 CHEMBL31422,16 1,151 1,155 3.65}
{0 CHEMBL31496,16 1,48 1,59 1,84 1,99 1,106 1,118 1,119 1,151 1,155 4.43}
{0 CHEMBL31516,16 1,48 1,59 1,99 1,106 1,118 1,119 1,120 1,122 1,151 1,155 4.49}
{0 CHEMBL31522,16 1,48 1,59 1,99 1,106 1,118 1,119 1,151 1,155 4}
{0 CHEMBL31543,16 1,48 1,59 1,99 1,106 1,118 1,119 1,151 1,155 5.05}
{0 CHEMBL31574,16 1,44 1,84 1,118 1,119 1,137 1,151 1,155 4.88}
{0 CHEMBL31595,16 1,48 1,59 1,84 1,99 1,106 1,118 1,119 1,120 1,122 1,151 1,155 5.1}
{0 CHEMBL31642,16 1,48 1,59 1,99 1,106 1,151 1,155 4.55}
{0 CHEMBL31729,16 1,48 1,59 1,99 1,106 1,129 1,151 1,155 4.56}
{0 CHEMBL31914,16 1,48 1,59 1,99 1,106 1,129 1,151 1,155 4.98}
{0 CHEMBL32001,16 1,48 1,59 1,99 1,106 1,118 1,119 1,129 1,151 1,155 5.12}
{0 CHEMBL32003,16 1,39 1,48 1,59 1,99 1,106 1,118 1,119 1,120 1,122 1,151 1,155 4.13}
{0 CHEMBL32624,16 1,48 1,59 1,99 1,106 1,118 1,119 1,151 1,155 4.4}
{0 CHEMBL416209,16 1,48 1,59 1,84 1,99 1,106 1,118 1,119 1,151 1,155 4.29}
{0 CHEMBL417131,16 1,48 1,59 1,99 1,106 1,118 1,119 1,151 1,155 5.11}
{0 CHEMBL428441,16 1,51 1,73 1,118 1,119 1,151 1,155 5.444}
{0 CHEMBL430738,16 1,48 1,59 1,99 1,106 1,118 1,119 1,137 1,151 1,155 3.71}
{0 CHEMBL432268,16 1,48 1,59 1,99 1,106 1,118 1,119 1,120 1,122 1,151 1,155 4.03}
{0 CHEMBL432853,16 1,48 1,59 1,99 1,106 1,151 1,155 3.32}
{0 CHEMBL488901,16 1,42 1,51 1,73 1,115 1,118 1,119 1,129 1,151 1,155 4.131}
{0 CHEMBL50,16 1,44 1,84 1,102 1,118 1,119 1,137 1,151 1,155 4.82}
{0 CHEMBL511367,12 1,102 1,118 1,119 1,127 1,137 1,155 4.932}
{0 CHEMBL590878,12 1,102 1,118 1,119 1,127 1,137 1,155 5.721}
{0 CHEMBL591036,12 1,102 1,118 1,119 1,127 1,137 1,155 4.785}
{0 CHEMBL6,12 1,16 1,38 1,73 1,84 1,118 1,119 1,129 1,151 1,155 4.62}
{0 CHEMBL8260,16 1,84 1,118 1,119 1,151 1,155 4.959}
{0 CHEMBL9352,16 1,102 1,118 1,119 1,137 1,151 1,155 4.76}