"molecule_id","FCFP4_1024b153","FCFP4_1024b167","FCFP4_1024b180","FCFP4_1024b412","FCFP4_1024b44","FCFP4_1024b549","FCFP4_1024b61","FCFP4_1024b858","FCFP4_1024b917","FCFP4_1024b986","FCFP4_1024b252","FCFP4_1024b635","FCFP4_1024b451","FCFP4_1024b25","FCFP4_1024b139","FCFP4_1024b983","FCFP4_1024b107","FCFP4_1024b372","FCFP4_1024b390","FCFP4_1024b553","FCFP4_1024b683","FCFP4_1024b855","FCFP4_1024b128","FCFP4_1024b669","FCFP4_1024b453","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_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_1024b129","FCFP4_1024b13","FCFP4_1024b130","FCFP4_1024b131","FCFP4_1024b132","FCFP4_1024b133","FCFP4_1024b134","FCFP4_1024b135","FCFP4_1024b136","FCFP4_1024b137","FCFP4_1024b138","FCFP4_1024b14","FCFP4_1024b140","FCFP4_1024b141","FCFP4_1024b142","FCFP4_1024b143","FCFP4_1024b144","FCFP4_1024b145","FCFP4_1024b146","FCFP4_1024b147","FCFP4_1024b148","pXC50"
{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 1,26 1,103 6.167}
{0 CHEMBL112914,1 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 1,24 1,25 1,26 1,27 1,50 1,103 9}
{0 CHEMBL134851,1 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 1,24 1,26 1,50 1,103 8.674}
{0 CHEMBL136106,1 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 1,24 1,25 1,26 1,27 1,50 1,103 7.237}
{0 CHEMBL136332,1 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 1,24 1,25 1,26 1,27 1,103 7.268}
{0 CHEMBL153054,14 1,26 1,103 6.824}
{0 CHEMBL187396,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,24 1,26 1,27 1,103 5.569}
{0 CHEMBL188087,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,26 1,27 1,84 1,103 5.125}
{0 CHEMBL188978,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,26 1,27 1,51 1,103 5.229}
{0 CHEMBL189059,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,26 1,27 1,38 1,46 1,103 5.102}
{0 CHEMBL189584,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,26 1,27 1,38 1,46 1,103 4.77}
{0 CHEMBL189691,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,26 1,27 1,103 6.009}
{0 CHEMBL189851,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,26 1,27 1,38 1,46 1,84 1,103 4.921}
{0 CHEMBL189995,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,26 1,27 1,103 5.745}
{0 CHEMBL190161,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,26 1,27 1,103 5.886}
{0 CHEMBL190389,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,26 1,27 1,84 1,103 5.456}
{0 CHEMBL190783,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,26 1,27 1,38 1,46 1,84 1,103 4.602}
{0 CHEMBL191023,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,26 1,27 1,103 5.678}
{0 CHEMBL191070,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,24 1,26 1,27 1,103 5.538}
{0 CHEMBL191265,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,26 1,27 1,51 1,103 5.041}
{0 CHEMBL192856,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,26 1,27 1,103 5.824}
{0 CHEMBL278472,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,26 1,103 5.745}
{0 CHEMBL288441,11 1,12 1,14 1,16 1,23 1,24 1,26 1,27 1,91 1,103 5.398}
{0 CHEMBL297523,1 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 1,24 1,25 1,26 1,27 1,103 7.222}
{0 CHEMBL299026,15 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,26 1,27 1,38 1,46 1,103 5.745}
{0 CHEMBL299763,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,26 1,38 1,46 1,51 1,103 4.301}
{0 CHEMBL301483,15 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,26 1,27 1,38 1,46 1,84 1,103 6.62}
{0 CHEMBL301612,1 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 1,25 1,26 1,103 7.42}
{0 CHEMBL309035,23 1,25 1,26 1,51 1,103 5.866}
{0 CHEMBL310080,103 5.638}
{0 CHEMBL339856,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,24 1,26 1,27 1,103 5.469}
{0 CHEMBL342475,1 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 1,24 1,25 1,26 1,50 1,103 7.602}
{0 CHEMBL346870,25 1,51 1,103 5.699}
{0 CHEMBL356169,23 1,26 1,103 5}
{0 CHEMBL363551,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,26 1,27 1,103 5.398}
{0 CHEMBL365140,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,26 1,38 1,46 1,103 4.959}
{0 CHEMBL365727,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,26 1,103 5.469}
{0 CHEMBL418111,13 1,15 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,25 1,26 1,27 1,38 1,46 1,103 6.432}
{0 CHEMBL425363,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,26 1,103 5.921}
{0 CHEMBL432738,15 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,26 1,38 1,46 1,51 1,84 1,103 5.657}
{0 CHEMBL434448,1 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 1,24 1,25 1,26 1,50 1,103 7.602}
{0 CHEMBL45827,15 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,26 1,27 1,38 1,46 1,103 6.428}
{0 CHEMBL49120,1 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 1,24 1,25 1,26 1,27 1,103 8.244}
{0 CHEMBL56236,14 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,26 1,38 1,46 1,49 1,51 1,103 4.301}
{0 CHEMBL56983,13 1,15 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,25 1,26 1,27 1,38 1,46 1,103 5.921}
{0 CHEMBL57323,14 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,26 1,38 1,46 1,51 1,103 6.469}
{0 CHEMBL57347,15 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,26 1,27 1,38 1,46 1,103 6.449}
{0 CHEMBL57366,15 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,26 1,38 1,46 1,51 1,103 5.955}
{0 CHEMBL75188,14 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,26 1,27 1,38 1,46 1,49 1,103 4.301}
{0 CHEMBL75964,103 5}
{0 CHEMBL76202,23 1,26 1,103 5.721}
{0 CHEMBL76599,16 1,17 1,18 1,19 1,20 1,21 1,22 1,26 1,38 1,46 1,51 1,103 5.331}
{0 CHEMBL77242,24 1,26 1,27 1,103 6.102}
{0 CHEMBL80873,103 6.886}