"molecule_id","FCFP4_1024b297","FCFP4_1024b693","FCFP4_1024b279","FCFP4_1024b957","FCFP4_1024b147","FCFP4_1024b148","FCFP4_1024b597","FCFP4_1024b87","FCFP4_1024b2","FCFP4_1024b925","FCFP4_1024b492","FCFP4_1024b235","FCFP4_1024b69","FCFP4_1024b682","FCFP4_1024b838","FCFP4_1024b4","FCFP4_1024b408","FCFP4_1024b429","FCFP4_1024b111","FCFP4_1024b769","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","pXC50"
{16 1,52 4.921}
{0 CHEMBL1209256,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 5}
{0 CHEMBL1209322,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 7.167}
{0 CHEMBL1209323,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 5}
{0 CHEMBL1209324,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 7.066}
{0 CHEMBL1209325,9 1,10 1,11 1,12 1,16 1,21 1,52 6.215}
{0 CHEMBL1209326,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 5.658}
{0 CHEMBL1209384,9 1,10 1,11 1,16 1,21 1,52 5.959}
{0 CHEMBL1209385,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 7.215}
{0 CHEMBL1209386,9 1,10 1,11 1,12 1,16 1,21 1,52 7.155}
{0 CHEMBL1209387,9 1,10 1,11 1,16 1,21 1,24 1,52 5.959}
{0 CHEMBL1209388,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 7.31}
{0 CHEMBL1209460,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 6.367}
{0 CHEMBL1209461,3 1,4 1,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 6.42}
{0 CHEMBL1209462,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 6.678}
{0 CHEMBL1209463,3 1,4 1,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 5.585}
{0 CHEMBL1209464,3 1,4 1,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 6.208}
{0 CHEMBL1209542,9 1,10 1,11 1,12 1,13 1,16 1,17 1,18 1,21 1,52 7.167}
{0 CHEMBL1209543,9 1,10 1,11 1,12 1,13 1,16 1,17 1,18 1,21 1,52 5.301}
{0 CHEMBL1209544,9 1,10 1,11 1,12 1,13 1,16 1,17 1,18 1,21 1,52 7.602}
{0 CHEMBL1209545,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 6.143}
{0 CHEMBL1209546,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 5.42}
{0 CHEMBL1209614,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 7.319}
{0 CHEMBL1209615,9 1,10 1,11 1,12 1,13 1,16 1,21 1,52 7.523}
{0 CHEMBL1209616,9 1,10 1,11 1,12 1,13 1,16 1,18 1,21 1,52 6.959}
{0 CHEMBL1209617,9 1,10 1,11 1,12 1,13 1,16 1,17 1,18 1,21 1,52 7.237}
{0 CHEMBL1209685,9 1,10 1,11 1,12 1,13 1,16 1,17 1,18 1,21 1,52 7.699}
{0 CHEMBL1209686,9 1,10 1,11 1,12 1,13 1,16 1,17 1,18 1,21 1,52 8}
{0 CHEMBL1209687,9 1,10 1,11 1,12 1,13 1,16 1,17 1,18 1,21 1,52 7.252}
{0 CHEMBL1241832,9 1,10 1,16 1,21 1,24 1,52 5.975}
{0 CHEMBL1289102,9 1,10 1,16 1,18 1,21 1,24 1,52 5.876}
{0 CHEMBL1774553,9 1,10 1,11 1,16 1,21 1,52 5.222}
{0 CHEMBL1774554,9 1,10 1,11 1,16 1,21 1,52 5.268}
{0 CHEMBL1774555,9 1,10 1,11 1,16 1,21 1,52 5.046}
{0 CHEMBL1774556,9 1,10 1,11 1,16 1,21 1,52 5.301}
{0 CHEMBL1774557,9 1,10 1,11 1,16 1,21 1,52 6.301}
{0 CHEMBL1774558,9 1,10 1,11 1,16 1,21 1,52 5.886}
{0 CHEMBL1774559,9 1,10 1,11 1,16 1,17 1,18 1,21 1,52 6.409}
{0 CHEMBL1774560,9 1,10 1,11 1,16 1,17 1,18 1,21 1,52 6.62}
{0 CHEMBL1774561,9 1,10 1,11 1,16 1,17 1,18 1,21 1,52 6.097}
{0 CHEMBL1774562,9 1,10 1,11 1,16 1,18 1,21 1,52 5.824}
{0 CHEMBL1774563,9 1,10 1,11 1,16 1,17 1,18 1,21 1,52 6.959}
{0 CHEMBL1774564,9 1,10 1,11 1,16 1,17 1,18 1,21 1,52 6.347}
{0 CHEMBL1774565,9 1,10 1,11 1,16 1,17 1,18 1,21 1,41 1,52 6.886}
{0 CHEMBL1774566,9 1,10 1,11 1,16 1,17 1,18 1,21 1,41 1,52 6.77}
{0 CHEMBL1774567,9 1,10 1,11 1,16 1,21 1,41 1,52 5.886}
{0 CHEMBL1774568,9 1,10 1,11 1,16 1,18 1,21 1,41 1,52 5.398}
{0 CHEMBL1774569,9 1,10 1,11 1,16 1,17 1,18 1,21 1,41 1,52 7.022}
{0 CHEMBL1774570,9 1,10 1,11 1,16 1,21 1,41 1,52 5.796}
{0 CHEMBL1774571,9 1,10 1,11 1,13 1,16 1,21 1,52 6.886}
{0 CHEMBL1774572,9 1,10 1,11 1,13 1,16 1,21 1,52 4.796}
{0 CHEMBL1774573,9 1,10 1,11 1,13 1,16 1,17 1,18 1,21 1,52 7.125}
{0 CHEMBL1774574,9 1,10 1,11 1,13 1,16 1,17 1,18 1,21 1,52 7.004}
{0 CHEMBL1774585,9 1,10 1,11 1,16 1,17 1,18 1,21 1,43 1,52 6.886}
{0 CHEMBL1774586,9 1,10 1,11 1,13 1,16 1,17 1,18 1,21 1,26 1,52 5.699}
{0 CHEMBL1774587,9 1,10 1,11 1,12 1,13 1,16 1,17 1,18 1,21 1,26 1,52 7.328}
{0 CHEMBL1774588,9 1,10 1,11 1,12 1,13 1,16 1,17 1,18 1,21 1,26 1,52 6.959}
{0 CHEMBL1927562,1 1,2 1,3 1,4 1,16 1,21 1,52 4}
{0 CHEMBL1927579,1 1,2 1,3 1,4 1,11 1,16 1,21 1,33 1,52 4.658}
{0 CHEMBL1927581,1 1,2 1,3 1,4 1,11 1,16 1,21 1,52 4.495}
{0 CHEMBL1927583,1 1,2 1,3 1,4 1,21 1,22 1,52 4.398}
{0 CHEMBL1927588,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,21 1,52 4.222}
{0 CHEMBL1927590,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,14 1,15 1,19 1,20 1,21 1,52 4.493}
{0 CHEMBL1927592,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,21 1,52 4}
{0 CHEMBL1927596,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,14 1,15 1,16 1,21 1,52 4.155}
{0 CHEMBL2158693,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,14 1,15 1,19 1,20 1,21 1,52 4.456}
{0 CHEMBL2158694,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,14 1,15 1,19 1,20 1,21 1,52 4.456}
{0 CHEMBL2158695,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,14 1,15 1,19 1,20 1,21 1,52 4.824}
{0 CHEMBL2158696,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,14 1,15 1,19 1,20 1,21 1,52 4.886}
{0 CHEMBL2158697,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,14 1,15 1,19 1,20 1,21 1,52 4.444}
{0 CHEMBL2158698,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,14 1,15 1,19 1,20 1,21 1,52 4.569}
{0 CHEMBL2316958,9 1,10 1,12 1,21 1,22 1,24 1,26 1,43 1,52 6}
{0 CHEMBL322333,11 1,16 1,21 1,22 1,52 5.244}
{0 CHEMBL427579,9 1,10 1,11 1,16 1,21 1,52 6.187}
{0 CHEMBL495798,9 1,10 1,21 1,52 5.502}
{0 CHEMBL495816,9 1,10 1,11 1,16 1,17 1,21 1,52 5.921}
{0 CHEMBL551092,11 1,16 1,21 1,52 5.402}
{0 CHEMBL551232,11 1,16 1,21 1,52 6.301}
{0 CHEMBL559072,11 1,16 1,21 1,52 5.4}
{0 CHEMBL561025,11 1,16 1,21 1,52 5.556}
{0 CHEMBL561296,11 1,16 1,21 1,52 5.66}
{0 CHEMBL561434,11 1,16 1,21 1,52 5.648}
{0 CHEMBL568698,9 1,10 1,11 1,16 1,21 1,52 5.398}
{0 CHEMBL572686,11 1,16 1,21 1,52 5.301}
{0 CHEMBL572687,9 1,10 1,11 1,16 1,21 1,52 5.658}
{0 CHEMBL572723,9 1,10 1,11 1,16 1,21 1,52 5.678}
{0 CHEMBL572912,9 1,10 1,11 1,16 1,21 1,52 5}
{0 CHEMBL572954,9 1,10 1,11 1,16 1,21 1,52 6.367}
{0 CHEMBL572955,9 1,10 1,11 1,16 1,21 1,52 5.208}
{0 CHEMBL572985,9 1,10 1,11 1,16 1,21 1,52 5.367}
{0 CHEMBL574237,11 1,16 1,21 1,52 5}
{0 CHEMBL574238,9 1,10 1,11 1,16 1,21 1,52 7.208}
{0 CHEMBL574941,9 1,10 1,11 1,16 1,21 1,52 5}
{0 CHEMBL575137,9 1,10 1,11 1,16 1,21 1,52 5.495}
{0 CHEMBL575356,9 1,10 1,11 1,16 1,21 1,52 5}
{0 CHEMBL575357,9 1,10 1,11 1,16 1,21 1,52 5.469}
{0 CHEMBL575358,9 1,10 1,11 1,16 1,21 1,52 5.081}
{0 CHEMBL575560,9 1,10 1,11 1,16 1,21 1,52 5.301}
{0 CHEMBL575748,9 1,10 1,11 1,16 1,21 1,52 5.678}
{0 CHEMBL575772,9 1,10 1,11 1,16 1,21 1,52 6.745}
{0 CHEMBL575959,9 1,10 1,11 1,16 1,21 1,52 5.796}
{0 CHEMBL575960,9 1,10 1,11 1,16 1,21 1,52 5.959}
{0 CHEMBL578596,11 1,16 1,21 1,52 6.131}
{0 CHEMBL583709,9 1,10 1,11 1,16 1,21 1,52 5.553}
{0 CHEMBL583979,9 1,10 1,11 1,16 1,21 1,52 5.854}
{0 CHEMBL584561,9 1,10 1,11 1,16 1,21 1,52 5}
{0 CHEMBL585551,9 1,10 1,11 1,16 1,21 1,52 5.456}
{0 CHEMBL67166,11 1,16 1,21 1,52 5.413}