"molecule_id","FCFP4_1024b58","FCFP4_1024b580","FCFP4_1024b14","FCFP4_1024b240","FCFP4_1024b333","FCFP4_1024b390","FCFP4_1024b617","FCFP4_1024b656","FCFP4_1024b965","FCFP4_1024b235","FCFP4_1024b490","FCFP4_1024b852","FCFP4_1024b78","FCFP4_1024b466","FCFP4_1024b811","FCFP4_1024b195","FCFP4_1024b532","FCFP4_1024b478","FCFP4_1024b298","FCFP4_1024b553","FCFP4_1024b787","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","pXC50"
{13 1,22 1,45 1,52 5.509}
{0 CHEMBL111507,52 4}
{0 CHEMBL1163875,22 1,52 4.745}
{0 CHEMBL1163939,13 1,22 1,28 1,36 1,45 1,49 1,52 5.102}
{0 CHEMBL1164369,13 1,22 1,28 1,36 1,45 1,49 1,52 4.509}
{0 CHEMBL116719,22 1,52 6.194}
{0 CHEMBL1200596,52 5.721}
{0 CHEMBL1270113,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,14 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,52 4}
{0 CHEMBL1270217,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,14 1,16 1,18 1,19 1,20 1,21 1,22 1,52 4}
{0 CHEMBL1270220,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,14 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,52 4}
{0 CHEMBL1270312,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,14 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,52 4}
{0 CHEMBL1270314,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,14 1,17 1,18 1,19 1,20 1,21 1,22 1,52 4}
{0 CHEMBL1270608,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,17 1,18 1,19 1,20 1,21 1,22 1,52 4}
{0 CHEMBL1270810,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,14 1,16 1,18 1,19 1,20 1,21 1,22 1,52 4}
{0 CHEMBL1271011,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,14 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,52 4}
{0 CHEMBL1271116,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,14 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,52 4}
{0 CHEMBL1271220,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,14 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,52 4}
{0 CHEMBL1289558,19 1,20 1,21 1,22 1,52 4.699}
{0 CHEMBL1319062,22 1,52 4.125}
{0 CHEMBL1369893,22 1,52 4.824}
{0 CHEMBL1370315,22 1,52 4.125}
{0 CHEMBL1370513,22 1,52 5.469}
{0 CHEMBL138649,15 1,22 1,52 4}
{0 CHEMBL1394624,22 1,52 5.699}
{0 CHEMBL1405150,22 1,52 6.21}
{0 CHEMBL1406616,22 1,52 5.523}
{0 CHEMBL1410433,22 1,52 4.125}
{0 CHEMBL1448145,22 1,52 4.125}
{0 CHEMBL1476391,22 1,52 5.456}
{0 CHEMBL147999,12 1,15 1,22 1,52 4}
{0 CHEMBL148503,52 5.208}
{0 CHEMBL1487619,22 1,52 5.796}
{0 CHEMBL150098,52 6.387}
{0 CHEMBL1512078,22 1,52 4.854}
{0 CHEMBL1512403,22 1,52 5.301}
{0 CHEMBL1521956,22 1,52 5.523}
{0 CHEMBL1528315,22 1,52 4.125}
{0 CHEMBL1528943,22 1,52 4.125}
{0 CHEMBL1531895,22 1,52 5.921}
{0 CHEMBL1532739,22 1,52 5.921}
{0 CHEMBL1555876,22 1,52 4.301}
{0 CHEMBL1561166,22 1,52 5.699}
{0 CHEMBL1572233,22 1,52 5.585}
{0 CHEMBL1573436,22 1,52 4.744}
{0 CHEMBL157844,22 1,52 4.658}
{0 CHEMBL1593083,22 1,52 4.301}
{0 CHEMBL1593604,22 1,52 4.125}
{0 CHEMBL1609517,22 1,52 5.699}
{0 CHEMBL1705387,22 1,52 4.602}
{0 CHEMBL178613,13 1,22 1,52 5}
{0 CHEMBL179335,13 1,22 1,52 5.523}
{0 CHEMBL180769,13 1,22 1,52 5}
{0 CHEMBL180947,13 1,22 1,28 1,36 1,45 1,49 1,52 5.119}
{0 CHEMBL1813491,22 1,52 4.602}
{0 CHEMBL1813492,22 1,52 5.523}
{0 CHEMBL181409,13 1,20 1,21 1,22 1,52 5}
{0 CHEMBL1830335,13 1,19 1,20 1,21 1,22 1,52 5}
{0 CHEMBL1830338,13 1,19 1,20 1,21 1,22 1,23 1,24 1,27 1,52 5}
{0 CHEMBL1830459,13 1,19 1,20 1,21 1,22 1,31 1,52 5}
{0 CHEMBL1830468,13 1,19 1,20 1,21 1,22 1,23 1,24 1,27 1,52 5}
{0 CHEMBL1830471,13 1,19 1,20 1,21 1,22 1,23 1,24 1,27 1,52 5}
{0 CHEMBL1830477,13 1,19 1,20 1,21 1,22 1,31 1,52 5}
{0 CHEMBL1830478,13 1,19 1,20 1,21 1,22 1,52 5}
{0 CHEMBL1830479,13 1,19 1,20 1,21 1,22 1,31 1,52 5}
{0 CHEMBL1830480,13 1,19 1,20 1,21 1,22 1,52 5}
{0 CHEMBL184398,22 1,52 5.228}
{0 CHEMBL184410,22 1,52 4}
{0 CHEMBL184450,22 1,52 5}
{0 CHEMBL185651,52 4}
{0 CHEMBL185753,52 4.523}
{0 CHEMBL185828,52 4.301}
{0 CHEMBL185893,13 1,22 1,45 1,52 5.292}
{0 CHEMBL186007,52 4}
{0 CHEMBL186098,52 5.222}
{0 CHEMBL186099,22 1,52 4.921}
{0 CHEMBL186752,13 1,22 1,52 6.398}
{0 CHEMBL186858,52 4}
{0 CHEMBL187292,22 1,52 4}
{0 CHEMBL187472,52 4.328}
{0 CHEMBL201191,2 1,11 1,13 1,17 1,22 1,52 4}
{0 CHEMBL202034,22 1,52 4}
{0 CHEMBL202582,22 1,52 4}
{0 CHEMBL202698,22 1,44 1,52 4}
{0 CHEMBL204917,1 1,13 1,18 1,19 1,22 1,52 4}
{0 CHEMBL204926,22 1,23 1,45 1,52 4}
{0 CHEMBL210276,22 1,50 1,52 4}
{0 CHEMBL210411,22 1,50 1,52 4}
{0 CHEMBL222808,22 1,36 1,45 1,52 6.824}
{0 CHEMBL238624,22 1,52 6.678}
{0 CHEMBL238812,12 1,15 1,22 1,52 4}
{0 CHEMBL238813,12 1,15 1,22 1,52 4}
{0 CHEMBL238814,15 1,22 1,52 4}
{0 CHEMBL238815,10 1,12 1,22 1,50 1,52 4}
{0 CHEMBL238816,12 1,22 1,50 1,52 4}
{0 CHEMBL238821,18 1,22 1,40 1,52 5.237}
{0 CHEMBL238843,18 1,22 1,40 1,45 1,52 5.444}
{0 CHEMBL238844,18 1,22 1,40 1,45 1,52 6.208}
{0 CHEMBL239022,12 1,22 1,50 1,52 4}
{0 CHEMBL239023,12 1,22 1,50 1,52 4}
{0 CHEMBL239028,18 1,22 1,40 1,52 4}
{0 CHEMBL239030,18 1,22 1,40 1,52 4}
{0 CHEMBL239031,22 1,52 5.796}
{0 CHEMBL239032,22 1,52 5.42}
{0 CHEMBL239033,22 1,45 1,52 4.854}
{0 CHEMBL239053,13 1,22 1,52 4}
{0 CHEMBL239156,18 1,22 1,40 1,52 5.06}
{0 CHEMBL239247,13 1,22 1,52 5.119}
{0 CHEMBL239276,22 1,50 1,52 4}
{0 CHEMBL239677,13 1,22 1,52 4.959}
{0 CHEMBL239893,13 1,22 1,45 1,52 4.824}
{0 CHEMBL240505,12 1,15 1,22 1,52 4}
{0 CHEMBL240713,12 1,15 1,22 1,52 4}
{0 CHEMBL241363,12 1,15 1,22 1,52 4}
{0 CHEMBL241364,12 1,15 1,22 1,52 4}
{0 CHEMBL241365,12 1,15 1,22 1,52 4}
{0 CHEMBL241366,12 1,15 1,22 1,52 4}
{0 CHEMBL241794,12 1,22 1,50 1,52 4}
{0 CHEMBL241813,18 1,22 1,40 1,52 5.194}
{0 CHEMBL241814,18 1,22 1,40 1,52 6.319}
{0 CHEMBL241815,18 1,22 1,40 1,52 6.108}
{0 CHEMBL276915,15 1,22 1,52 4}
{0 CHEMBL294009,22 1,50 1,52 4}
{0 CHEMBL314941,13 1,22 1,45 1,52 6.444}
{0 CHEMBL31574,22 1,50 1,52 6.022}
{0 CHEMBL316139,13 1,22 1,45 1,52 4.854}
{0 CHEMBL323197,13 1,22 1,52 6.237}
{0 CHEMBL333219,22 1,52 6.387}
{0 CHEMBL360042,13 1,20 1,21 1,22 1,52 5}
{0 CHEMBL360190,13 1,22 1,52 5.638}
{0 CHEMBL362761,52 5.745}
{0 CHEMBL370583,22 1,52 4}
{0 CHEMBL378602,13 1,22 1,47 1,52 4.513}
{0 CHEMBL381113,22 1,52 4}
{0 CHEMBL381149,13 1,20 1,22 1,25 1,27 1,52 4.91}
{0 CHEMBL383552,22 1,52 4}
{0 CHEMBL391079,17 1,22 1,52 5.046}
{0 CHEMBL391341,13 1,22 1,52 4.155}
{0 CHEMBL391342,13 1,22 1,52 4.585}
{0 CHEMBL392270,22 1,52 4.385}
{0 CHEMBL394257,12 1,15 1,22 1,52 4}
{0 CHEMBL394258,12 1,22 1,50 1,52 4}
{0 CHEMBL394459,10 1,12 1,15 1,22 1,52 4}
{0 CHEMBL395115,12 1,15 1,22 1,52 4}
{0 CHEMBL395346,12 1,15 1,22 1,52 4}
{0 CHEMBL395449,18 1,22 1,40 1,52 5.796}
{0 CHEMBL396673,12 1,15 1,22 1,52 4}
{0 CHEMBL397803,13 1,20 1,21 1,22 1,30 1,52 5.31}
{0 CHEMBL399821,13 1,20 1,21 1,22 1,52 5.013}
{0 CHEMBL425166,13 1,22 1,52 4.301}
{0 CHEMBL425336,13 1,22 1,52 5.971}
{0 CHEMBL433557,13 1,20 1,21 1,22 1,52 5}
{0 CHEMBL456949,22 1,52 6.108}
{0 CHEMBL459185,22 1,24 1,52 6.553}
{0 CHEMBL463805,22 1,52 6.585}
{0 CHEMBL464006,22 1,52 4}
{0 CHEMBL465615,22 1,40 1,52 4.409}
{0 CHEMBL465616,22 1,52 5.62}
{0 CHEMBL50,22 1,50 1,52 6.357}
{0 CHEMBL505073,11 1,20 1,22 1,52 4.971}
{0 CHEMBL52,13 1,22 1,45 1,52 5.297}
{0 CHEMBL528045,22 1,52 6}
{0 CHEMBL57284,52 4}
{0 CHEMBL580727,22 1,52 6}
{0 CHEMBL7660,22 1,52 7}
{0 CHEMBL8260,15 1,22 1,52 5.796}
{0 CHEMBL8328,13 1,22 1,52 4.77}
{0 CHEMBL88952,13 1,22 1,45 1,52 5.658}
{0 CHEMBL89275,13 1,22 1,45 1,52 4.585}
{0 CHEMBL89283,13 1,22 1,45 1,52 6.367}
{0 CHEMBL91531,13 1,22 1,45 1,52 4.377}
{0 CHEMBL92212,13 1,22 1,45 1,52 5.509}
{0 CHEMBL92359,13 1,22 1,45 1,52 6.444}
{0 CHEMBL93,22 1,52 4.26}