"molecule_id","FCFP4_1024b173","FCFP4_1024b204","FCFP4_1024b22","FCFP4_1024b246","FCFP4_1024b432","FCFP4_1024b442","FCFP4_1024b562","FCFP4_1024b760","FCFP4_1024b916","FCFP4_1024b969","FCFP4_1024b908","FCFP4_1024b876","FCFP4_1024b942","FCFP4_1024b1019","FCFP4_1024b521","FCFP4_1024b490","FCFP4_1024b2","FCFP4_1024b925","FCFP4_1024b203","FCFP4_1024b298","FCFP4_1024b538","FCFP4_1024b809","FCFP4_1024b580","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_1024b102","FCFP4_1024b1020","FCFP4_1024b1021","FCFP4_1024b1022","FCFP4_1024b1023","pXC50"
{11 1,15 1,17 1,18 1,24 1,52 6.886}
{0 CHEMBL189594,15 1,16 1,17 1,18 1,23 1,24 1,52 5.745}
{0 CHEMBL189596,15 1,16 1,17 1,18 1,23 1,24 1,52 5.387}
{0 CHEMBL190131,13 1,15 1,16 1,17 1,18 1,24 1,52 5.469}
{0 CHEMBL190255,15 1,16 1,17 1,18 1,23 1,24 1,52 5.77}
{0 CHEMBL190279,17 1,18 1,24 1,52 5.699}
{0 CHEMBL190358,15 1,16 1,17 1,18 1,23 1,24 1,48 1,52 5.367}
{0 CHEMBL190596,11 1,15 1,16 1,17 1,18 1,24 1,52 5.357}
{0 CHEMBL190737,15 1,16 1,17 1,18 1,23 1,24 1,52 5.194}
{0 CHEMBL192127,11 1,15 1,16 1,17 1,18 1,24 1,25 1,29 1,52 5.886}
{0 CHEMBL192498,15 1,17 1,18 1,24 1,52 5.06}
{0 CHEMBL192524,13 1,15 1,16 1,17 1,18 1,23 1,24 1,52 5.041}
{0 CHEMBL192819,15 1,16 1,17 1,18 1,23 1,24 1,52 5.62}
{0 CHEMBL192900,15 1,16 1,17 1,18 1,23 1,24 1,52 5.824}
{0 CHEMBL192969,15 1,16 1,17 1,18 1,23 1,24 1,52 6}
{0 CHEMBL193092,15 1,16 1,17 1,18 1,23 1,24 1,52 5.523}
{0 CHEMBL193201,15 1,16 1,17 1,18 1,23 1,24 1,52 5.377}
{0 CHEMBL193243,15 1,16 1,17 1,18 1,23 1,24 1,52 6.222}
{0 CHEMBL235187,19 1,20 1,21 1,22 1,24 1,52 6.328}
{0 CHEMBL235405,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL235406,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL235407,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL235577,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL235578,19 1,20 1,21 1,22 1,24 1,52 6.21}
{0 CHEMBL235623,19 1,20 1,21 1,22 1,24 1,52 6.575}
{0 CHEMBL235785,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL235787,19 1,20 1,21 1,22 1,24 1,48 1,52 5.936}
{0 CHEMBL236208,19 1,20 1,21 1,22 1,24 1,52 5.857}
{0 CHEMBL236209,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL236432,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL236470,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL236471,19 1,20 1,21 1,22 1,24 1,52 6.492}
{0 CHEMBL236671,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL237278,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL237486,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL237487,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL237695,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL286594,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,14 1,15 1,16 1,17 1,18 1,23 1,24 1,52 7.67}
{0 CHEMBL300840,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,14 1,15 1,16 1,17 1,18 1,23 1,24 1,37 1,52 6.846}
{0 CHEMBL317473,11 1,15 1,17 1,18 1,24 1,52 5.18}
{0 CHEMBL364296,13 1,15 1,16 1,17 1,18 1,23 1,24 1,52 5.721}
{0 CHEMBL365317,15 1,16 1,17 1,18 1,23 1,24 1,52 6.347}
{0 CHEMBL392035,19 1,20 1,21 1,22 1,24 1,52 5.975}
{0 CHEMBL392036,19 1,20 1,21 1,22 1,24 1,52 6.018}
{0 CHEMBL392617,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL392618,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL393487,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL394421,19 1,20 1,21 1,22 1,24 1,52 5.996}
{0 CHEMBL395136,19 1,20 1,21 1,22 1,24 1,52 6.412}
{0 CHEMBL395137,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL396110,19 1,20 1,21 1,22 1,24 1,52 5.703}
{0 CHEMBL396305,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL397813,19 1,20 1,21 1,22 1,24 1,52 5.824}
{0 CHEMBL397814,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL415290,1 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 1,17 1,18 1,23 1,24 1,52 7.788}
{0 CHEMBL425732,15 1,16 1,17 1,18 1,23 1,24 1,52 4.721}
{0 CHEMBL426986,15 1,16 1,17 1,18 1,23 1,24 1,52 5.509}
{0 CHEMBL426988,15 1,16 1,17 1,18 1,23 1,24 1,52 6.721}
{0 CHEMBL428023,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL432104,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,14 1,15 1,16 1,17 1,18 1,23 1,24 1,52 6.523}
{0 CHEMBL437189,19 1,20 1,21 1,22 1,24 1,52 6.409}
{0 CHEMBL437753,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL440977,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL441131,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL441139,19 1,20 1,21 1,22 1,24 1,52 5.039}
{0 CHEMBL444016,15 1,16 1,17 1,18 1,23 1,24 1,52 5.638}
{0 CHEMBL448,17 1,18 1,24 1,52 4.301}
{0 CHEMBL526,24 1,52 4.951}
{0 CHEMBL57655,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,14 1,15 1,16 1,17 1,18 1,23 1,24 1,52 8.143}
{0 CHEMBL58385,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,14 1,15 1,16 1,17 1,18 1,23 1,24 1,52 7.569}
{0 CHEMBL58570,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,14 1,15 1,16 1,17 1,18 1,23 1,24 1,52 7.252}
{0 CHEMBL58757,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,14 1,15 1,16 1,17 1,18 1,23 1,24 1,52 7.58}
{0 CHEMBL59180,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,14 1,15 1,16 1,17 1,18 1,23 1,24 1,52 7.654}
{0 CHEMBL59181,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,14 1,15 1,16 1,17 1,18 1,23 1,24 1,37 1,52 6.848}
{0 CHEMBL602321,13 1,15 1,17 1,18 1,24 1,52 5.093}
{0 CHEMBL6597,1 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 1,17 1,18 1,23 1,24 1,25 1,52 8.585}
{0 CHEMBL6655,1 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 1,17 1,18 1,23 1,24 1,52 7.971}
{0 CHEMBL681,12 1,15 1,16 1,17 1,18 1,23 1,24 1,52 5.456}
{0 CHEMBL911,11 1,13 1,15 1,17 1,18 1,24 1,52 6.745}