"molecule_id","FCFP4_1024b354","FCFP4_1024b319","FCFP4_1024b57","FCFP4_1024b103","FCFP4_1024b264","FCFP4_1024b363","FCFP4_1024b685","FCFP4_1024b253","FCFP4_1024b199","FCFP4_1024b629","FCFP4_1024b603","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_1024b104","FCFP4_1024b105","FCFP4_1024b106","FCFP4_1024b107","FCFP4_1024b108","FCFP4_1024b109","FCFP4_1024b11","FCFP4_1024b110","FCFP4_1024b111","FCFP4_1024b112","pXC50"
{4 1,5 1,6 1,7 1,9 1,10 1,11 1,12 1,52 6.602}
{0 CHEMBL116981,4 1,5 1,6 1,7 1,9 1,10 1,11 1,12 1,52 6.921}
{0 CHEMBL117007,4 1,5 1,6 1,7 1,9 1,10 1,11 1,12 1,52 5.678}
{0 CHEMBL117021,12 1,20 1,34 1,52 7.539}
{0 CHEMBL117403,4 1,5 1,6 1,7 1,9 1,10 1,11 1,12 1,52 6.155}
{0 CHEMBL117529,11 1,12 1,43 1,52 5.963}
{0 CHEMBL117663,11 1,12 1,43 1,52 5.708}
{0 CHEMBL117715,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,52 7.244}
{0 CHEMBL117723,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,52 7.097}
{0 CHEMBL117754,11 1,12 1,20 1,43 1,52 7.523}
{0 CHEMBL117798,11 1,12 1,43 1,52 6.967}
{0 CHEMBL117860,11 1,12 1,43 1,52 5.301}
{0 CHEMBL118508,4 1,5 1,6 1,7 1,9 1,10 1,11 1,12 1,52 6.347}
{0 CHEMBL118783,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,52 7.481}
{0 CHEMBL118815,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,52 7.377}
{0 CHEMBL118860,4 1,5 1,6 1,7 1,9 1,10 1,11 1,12 1,52 7.398}
{0 CHEMBL119116,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,52 8.18}
{0 CHEMBL119239,4 1,5 1,6 1,7 1,9 1,10 1,11 1,12 1,52 5.921}
{0 CHEMBL119256,4 1,5 1,6 1,7 1,9 1,10 1,11 1,12 1,52 7.585}
{0 CHEMBL119354,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,52 7.444}
{0 CHEMBL119382,4 1,5 1,6 1,7 1,9 1,10 1,11 1,12 1,52 6.569}
{0 CHEMBL119413,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,52 7.26}
{0 CHEMBL119440,4 1,5 1,6 1,7 1,9 1,10 1,11 1,12 1,35 1,52 7.824}
{0 CHEMBL119873,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,52 7.229}
{0 CHEMBL153043,12 1,20 1,34 1,52 6.829}
{0 CHEMBL187402,12 1,20 1,52 6.319}
{0 CHEMBL187459,12 1,20 1,52 6.613}
{0 CHEMBL187711,12 1,20 1,52 5.509}
{0 CHEMBL187795,12 1,20 1,52 5.34}
{0 CHEMBL188081,12 1,20 1,52 5}
{0 CHEMBL188591,12 1,20 1,52 5.387}
{0 CHEMBL189296,12 1,20 1,52 5.602}
{0 CHEMBL190349,12 1,20 1,52 6.144}
{0 CHEMBL190430,12 1,20 1,52 6.401}
{0 CHEMBL190484,12 1,20 1,52 6.169}
{0 CHEMBL190999,9 1,10 1,12 1,52 5.355}
{0 CHEMBL191365,12 1,20 1,52 6}
{0 CHEMBL199400,12 1,20 1,52 5.963}
{0 CHEMBL199472,12 1,20 1,52 5.932}
{0 CHEMBL200003,12 1,20 1,52 5.812}
{0 CHEMBL201482,12 1,20 1,52 5.243}
{0 CHEMBL2017139,12 1,34 1,52 6.792}
{0 CHEMBL202242,12 1,20 1,34 1,52 5.144}
{0 CHEMBL202361,12 1,20 1,34 1,52 5.199}
{0 CHEMBL2058156,2 1,3 1,12 1,52 5}
{0 CHEMBL215722,12 1,34 1,52 5.024}
{0 CHEMBL2335047,12 1,20 1,52 6.96}
{0 CHEMBL2335048,12 1,20 1,52 6.453}
{0 CHEMBL2335049,12 1,20 1,52 6.938}
{0 CHEMBL2335050,12 1,20 1,52 6.931}
{0 CHEMBL2335051,12 1,20 1,34 1,52 6.833}
{0 CHEMBL2335052,12 1,20 1,52 7}
{0 CHEMBL239659,12 1,17 1,52 4.398}
{0 CHEMBL256470,1 1,2 1,3 1,12 1,13 1,29 1,45 1,52 7.77}
{0 CHEMBL256478,12 1,13 1,45 1,52 4.523}
{0 CHEMBL257899,12 1,13 1,27 1,45 1,52 4.523}
{0 CHEMBL270237,12 1,13 1,45 1,52 5.18}
{0 CHEMBL270865,1 1,2 1,3 1,12 1,13 1,29 1,45 1,52 7.456}
{0 CHEMBL270877,12 1,13 1,45 1,52 5.886}
{0 CHEMBL270878,12 1,13 1,45 1,52 5.495}
{0 CHEMBL272087,12 1,26 1,52 4.301}
{0 CHEMBL272352,12 1,13 1,45 1,52 4.523}
{0 CHEMBL323617,4 1,5 1,6 1,7 1,9 1,10 1,11 1,12 1,52 6.921}
{0 CHEMBL324820,4 1,5 1,6 1,7 1,9 1,10 1,11 1,12 1,52 6.377}
{0 CHEMBL325247,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,52 6.585}
{0 CHEMBL325288,11 1,12 1,43 1,52 5.685}
{0 CHEMBL325970,11 1,12 1,43 1,52 5.301}
{0 CHEMBL331054,4 1,5 1,6 1,7 1,9 1,10 1,11 1,12 1,35 1,52 7.495}
{0 CHEMBL331661,9 1,10 1,11 1,12 1,43 1,52 5.301}
{0 CHEMBL332373,4 1,5 1,6 1,7 1,9 1,10 1,11 1,12 1,52 6.276}
{0 CHEMBL332667,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,52 7.638}
{0 CHEMBL333335,4 1,5 1,6 1,7 1,9 1,10 1,11 1,12 1,52 7.131}
{0 CHEMBL357053,12 1,20 1,34 1,52 6.951}
{0 CHEMBL361255,12 1,20 1,52 5.745}
{0 CHEMBL363776,12 1,20 1,52 5.42}
{0 CHEMBL363935,12 1,20 1,52 5}
{0 CHEMBL364797,12 1,20 1,34 1,52 6.539}
{0 CHEMBL371955,12 1,20 1,52 5.932}
{0 CHEMBL373007,12 1,20 1,52 5}
{0 CHEMBL381470,12 1,20 1,52 5.129}
{0 CHEMBL382116,12 1,20 1,52 5}
{0 CHEMBL383362,12 1,20 1,52 5.767}
{0 CHEMBL397081,12 1,17 1,52 5.222}
{0 CHEMBL401543,12 1,13 1,45 1,52 5.73}
{0 CHEMBL401747,12 1,13 1,45 1,52 6.137}
{0 CHEMBL401756,12 1,13 1,29 1,45 1,52 6.77}
{0 CHEMBL402218,2 1,3 1,12 1,13 1,45 1,52 5.77}
{0 CHEMBL404452,12 1,13 1,45 1,52 6.585}
{0 CHEMBL404575,12 1,36 1,45 1,52 4.301}
{0 CHEMBL406676,12 1,13 1,45 1,52 4.523}
{0 CHEMBL425218,12 1,20 1,52 5.879}
{0 CHEMBL427014,12 1,20 1,52 5.886}
{0 CHEMBL427893,12 1,13 1,29 1,35 1,45 1,52 6.509}
{0 CHEMBL429681,12 1,13 1,29 1,45 1,52 6.137}
{0 CHEMBL432813,4 1,5 1,6 1,7 1,9 1,10 1,11 1,12 1,35 1,52 7.051}
{0 CHEMBL436763,12 1,20 1,52 5.767}
{0 CHEMBL441826,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,52 7.745}
{0 CHEMBL482497,12 1,45 1,52 7.612}
{0 CHEMBL482498,12 1,45 1,52 8.097}
{0 CHEMBL483302,12 1,37 1,45 1,52 5.027}
{0 CHEMBL483303,12 1,52 4.943}
{0 CHEMBL485119,12 1,26 1,45 1,52 6.45}
{0 CHEMBL519002,12 1,45 1,52 7.672}