"molecule_id","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_1024b133","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","pXC50"
{1 1,2 1,6 1,96 1,103 6.106}
{0 CHEMBL10316,1 1,85 1,103 7.29}
{0 CHEMBL10332,1 1,85 1,103 9.04}
{0 CHEMBL10347,1 1,2 1,26 1,50 1,53 1,103 8.409}
{0 CHEMBL105328,1 1,30 1,103 4.845}
{0 CHEMBL111694,1 1,35 1,103 5.12}
{0 CHEMBL1125,1 1,96 1,103 6}
{0 CHEMBL1200323,1 1,24 1,28 1,103 5}
{0 CHEMBL1204388,1 1,35 1,103 4.796}
{0 CHEMBL1215,1 1,28 1,36 1,103 6.409}
{0 CHEMBL123349,1 1,2 1,70 1,103 7.777}
{0 CHEMBL12713,1 1,2 1,6 1,18 1,34 1,70 1,103 5.775}
{0 CHEMBL134,1 1,35 1,70 1,103 7.679}
{0 CHEMBL1437,1 1,103 7.523}
{0 CHEMBL1484,1 1,2 1,103 5}
{0 CHEMBL15245,1 1,2 1,26 1,50 1,53 1,103 7.456}
{0 CHEMBL159226,1 1,2 1,103 4.5}
{0 CHEMBL15928,1 1,2 1,6 1,35 1,58 1,68 1,103 6}
{0 CHEMBL163869,1 1,2 1,26 1,35 1,103 5.86}
{0 CHEMBL164540,1 1,64 1,103 9.215}
{0 CHEMBL170660,1 1,2 1,70 1,103 7.319}
{0 CHEMBL1729,1 1,2 1,26 1,58 1,70 1,103 5.347}
{0 CHEMBL173581,1 1,2 1,103 6.471}
{0 CHEMBL1794855,1 1,2 1,103 5}
{0 CHEMBL186909,1 1,2 1,26 1,58 1,103 5.097}
{0 CHEMBL187196,1 1,2 1,43 1,53 1,58 1,84 1,103 5.155}
{0 CHEMBL189118,1 1,2 1,35 1,36 1,85 1,86 1,103 8.886}
{0 CHEMBL194837,1 1,2 1,35 1,70 1,85 1,86 1,103 9.602}
{0 CHEMBL198733,1 1,103 4.444}
{0 CHEMBL2,1 1,26 1,58 1,68 1,70 1,103 5.652}
{0 CHEMBL200375,1 1,70 1,103 5.959}
{0 CHEMBL200563,1 1,70 1,103 5.409}
{0 CHEMBL201878,1 1,2 1,4 1,21 1,50 1,103 5}
{0 CHEMBL201946,1 1,2 1,21 1,43 1,53 1,84 1,103 5}
{0 CHEMBL202434,1 1,2 1,21 1,64 1,103 5}
{0 CHEMBL2093965,1 1,2 1,103 4}
{0 CHEMBL2113241,1 1,2 1,5 1,84 1,103 5}
{0 CHEMBL21734,1 1,35 1,103 5}
{0 CHEMBL22073,1 1,7 1,35 1,43 1,103 5.699}
{0 CHEMBL230644,1 1,35 1,58 1,103 4.517}
{0 CHEMBL230861,1 1,25 1,35 1,103 5.559}
{0 CHEMBL242102,1 1,35 1,103 5.359}
{0 CHEMBL242759,1 1,35 1,103 6}
{0 CHEMBL242839,1 1,8 1,35 1,103 4.375}
{0 CHEMBL243288,1 1,35 1,103 5.78}
{0 CHEMBL244986,1 1,35 1,103 7}
{0 CHEMBL244987,1 1,35 1,103 7.74}
{0 CHEMBL25014,1 1,2 1,4 1,88 1,103 8.15}
{0 CHEMBL25399,1 1,2 1,4 1,88 1,103 8.25}
{0 CHEMBL25979,1 1,2 1,26 1,88 1,103 7.44}
{0 CHEMBL25982,1 1,2 1,26 1,88 1,103 6.61}
{0 CHEMBL26156,1 1,2 1,26 1,88 1,103 7.02}
{0 CHEMBL26421,1 1,2 1,26 1,88 1,103 4.82}
{0 CHEMBL26717,1 1,24 1,31 1,103 4}
{0 CHEMBL26828,1 1,31 1,70 1,103 6.658}
{0 CHEMBL27522,1 1,2 1,26 1,88 1,103 6.72}
{0 CHEMBL27926,1 1,2 1,4 1,88 1,103 8.16}
{0 CHEMBL279807,1 1,2 1,21 1,26 1,58 1,103 9.699}
{0 CHEMBL281064,1 1,2 1,4 1,7 1,103 7.602}
{0 CHEMBL281232,1 1,103 7.921}
{0 CHEMBL281708,1 1,2 1,26 1,88 1,103 7.86}
{0 CHEMBL282636,1 1,2 1,26 1,88 1,103 6.4}
{0 CHEMBL28531,1 1,2 1,26 1,88 1,103 8.07}
{0 CHEMBL285367,1 1,2 1,4 1,88 1,103 6.8}
{0 CHEMBL285802,1 1,2 1,70 1,99 1,103 6.382}
{0 CHEMBL287587,1 1,94 1,103 6.155}
{0 CHEMBL287837,1 1,31 1,70 1,103 7.678}
{0 CHEMBL28902,1 1,11 1,24 1,27 1,70 1,103 5}
{0 CHEMBL29380,1 1,2 1,26 1,88 1,103 6.32}
{0 CHEMBL297726,1 1,2 1,103 6.174}
{0 CHEMBL298124,1 1,8 1,40 1,103 6.745}
{0 CHEMBL298936,1 1,25 1,35 1,103 8.921}
{0 CHEMBL299786,1 1,103 7.114}
{0 CHEMBL300073,1 1,35 1,36 1,64 1,103 5.276}
{0 CHEMBL30114,1 1,2 1,26 1,88 1,103 6.51}
{0 CHEMBL301707,1 1,2 1,6 1,35 1,50 1,53 1,58 1,103 6}
{0 CHEMBL302451,1 1,28 1,36 1,103 5.921}
{0 CHEMBL306751,1 1,103 5.367}
{0 CHEMBL308042,1 1,24 1,85 1,103 6.301}
{0 CHEMBL308727,1 1,3 1,85 1,103 5.951}
{0 CHEMBL308767,1 1,35 1,103 5.2}
{0 CHEMBL30911,1 1,2 1,96 1,103 6}
{0 CHEMBL31062,1 1,7 1,36 1,103 8.155}
{0 CHEMBL31195,1 1,7 1,103 7.824}
{0 CHEMBL312448,1 1,3 1,24 1,85 1,103 6.301}
{0 CHEMBL31332,1 1,2 1,4 1,7 1,103 6.328}
{0 CHEMBL31410,1 1,2 1,26 1,50 1,53 1,103 4.517}
{0 CHEMBL31714,1 1,11 1,24 1,70 1,103 5}
{0 CHEMBL31836,1 1,2 1,103 7.6}
{0 CHEMBL319673,1 1,2 1,26 1,58 1,103 5}
{0 CHEMBL323356,1 1,35 1,103 6}
{0 CHEMBL342029,1 1,35 1,103 7.337}
{0 CHEMBL34291,1 1,2 1,21 1,26 1,58 1,103 5}
{0 CHEMBL355527,1 1,2 1,103 6.635}
{0 CHEMBL360419,1 1,2 1,43 1,53 1,58 1,64 1,84 1,103 5.699}
{0 CHEMBL360803,1 1,35 1,103 8.824}
{0 CHEMBL361907,1 1,2 1,26 1,58 1,103 5}
{0 CHEMBL363537,1 1,2 1,43 1,53 1,64 1,84 1,88 1,103 6.046}
{0 CHEMBL383577,1 1,2 1,21 1,103 5}
{0 CHEMBL42,1 1,2 1,6 1,70 1,103 6.796}
{0 CHEMBL420652,1 1,103 4.01}
{0 CHEMBL42139,1 1,8 1,35 1,103 4.249}
{0 CHEMBL42359,1 1,28 1,36 1,103 7}
{0 CHEMBL428395,1 1,35 1,103 6.57}
{0 CHEMBL432579,1 1,4 1,98 1,101 1,103 5.108}
{0 CHEMBL433033,1 1,2 1,4 1,88 1,103 6.68}
{0 CHEMBL433083,1 1,2 1,103 7.971}
{0 CHEMBL433730,1 1,2 1,31 1,70 1,103 8.215}
{0 CHEMBL43711,1 1,28 1,36 1,94 1,103 5.301}
{0 CHEMBL437699,1 1,70 1,103 5.921}
{0 CHEMBL439849,1 1,2 1,43 1,53 1,64 1,68 1,84 1,103 5.222}
{0 CHEMBL439864,1 1,103 4.553}
{0 CHEMBL440512,1 1,96 1,103 5}
{0 CHEMBL442268,1 1,103 6.284}
{0 CHEMBL49137,1 1,35 1,64 1,103 8.886}
{0 CHEMBL49284,1 1,35 1,103 8.167}
{0 CHEMBL49395,1 1,35 1,64 1,103 7.291}
{0 CHEMBL50390,1 1,8 1,35 1,103 9.602}
{0 CHEMBL50430,1 1,35 1,103 8.108}
{0 CHEMBL50769,1 1,35 1,58 1,103 8.284}
{0 CHEMBL51963,1 1,2 1,6 1,35 1,50 1,53 1,103 4}
{0 CHEMBL52069,1 1,36 1,103 7.745}
{0 CHEMBL52473,1 1,2 1,6 1,35 1,50 1,53 1,58 1,103 4}
{0 CHEMBL53335,1 1,103 4.886}
{0 CHEMBL535858,1 1,35 1,103 6.33}
{0 CHEMBL537161,1 1,95 1,103 5.481}
{0 CHEMBL537830,1 1,46 1,103 10.469}
{0 CHEMBL538801,1 1,64 1,103 9.921}
{0 CHEMBL54,1 1,2 1,38 1,70 1,103 5.301}
{0 CHEMBL540511,1 1,2 1,103 6}
{0 CHEMBL542155,1 1,103 6.426}
{0 CHEMBL542436,1 1,7 1,26 1,103 6.446}
{0 CHEMBL542812,1 1,2 1,103 6.7}
{0 CHEMBL543126,1 1,35 1,36 1,103 5.921}
{0 CHEMBL543390,1 1,7 1,70 1,103 6.444}
{0 CHEMBL544765,1 1,46 1,103 7.745}
{0 CHEMBL54716,1 1,2 1,6 1,37 1,58 1,103 5.655}
{0 CHEMBL552780,1 1,35 1,103 5.97}
{0 CHEMBL553231,1 1,85 1,103 10.854}
{0 CHEMBL55338,1 1,2 1,6 1,35 1,50 1,53 1,70 1,103 4}
{0 CHEMBL553835,1 1,103 4.482}
{0 CHEMBL554235,1 1,2 1,103 4}
{0 CHEMBL554455,1 1,2 1,103 6}
{0 CHEMBL554581,1 1,103 9.585}
{0 CHEMBL55528,1 1,2 1,35 1,50 1,53 1,58 1,103 7.26}
{0 CHEMBL557985,1 1,64 1,85 1,103 10.796}
{0 CHEMBL57163,1 1,2 1,6 1,35 1,50 1,53 1,70 1,103 4}
{0 CHEMBL57895,1 1,47 1,85 1,103 7.29}
{0 CHEMBL597,1 1,82 1,85 1,103 8.301}
{0 CHEMBL59719,1 1,103 4.509}
{0 CHEMBL603,1 1,25 1,35 1,58 1,103 5}
{0 CHEMBL61372,1 1,28 1,36 1,70 1,103 6.638}
{0 CHEMBL62072,1 1,28 1,36 1,70 1,103 6}
{0 CHEMBL62833,1 1,2 1,21 1,26 1,58 1,103 6.5}
{0 CHEMBL62912,1 1,2 1,21 1,26 1,58 1,103 9.699}
{0 CHEMBL647,1 1,26 1,35 1,103 8.56}
{0 CHEMBL679,1 1,28 1,36 1,103 8.199}
{0 CHEMBL70409,1 1,3 1,24 1,85 1,103 6.301}
{0 CHEMBL708,1 1,2 1,24 1,35 1,85 1,86 1,103 6.409}
{0 CHEMBL715,1 1,2 1,6 1,96 1,103 6.638}
{0 CHEMBL716,1 1,2 1,6 1,99 1,103 5.959}
{0 CHEMBL72107,1 1,3 1,5 1,24 1,103 5.879}
{0 CHEMBL73758,1 1,35 1,103 5.8}
{0 CHEMBL74283,1 1,35 1,103 8.222}
{0 CHEMBL75389,1 1,35 1,103 6.78}
{0 CHEMBL762,1 1,3 1,24 1,85 1,103 7.796}
{0 CHEMBL76480,1 1,2 1,50 1,53 1,64 1,103 5}
{0 CHEMBL77395,1 1,2 1,50 1,53 1,70 1,86 1,103 6.398}
{0 CHEMBL77633,1 1,35 1,103 6.38}
{0 CHEMBL77921,1 1,95 1,103 5.538}
{0 CHEMBL8412,1 1,2 1,101 1,103 6}
{0 CHEMBL844,1 1,35 1,64 1,103 8.572}
{0 CHEMBL85,1 1,2 1,11 1,23 1,70 1,103 8.435}
{0 CHEMBL883,1 1,35 1,64 1,103 7.387}
{0 CHEMBL9441,1 1,35 1,58 1,103 4.344}