"molecule_id","FCFP4_1024b231","FCFP4_1024b322","FCFP4_1024b398","FCFP4_1024b540","FCFP4_1024b556","FCFP4_1024b557","FCFP4_1024b645","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","FCFP4_1024b169","FCFP4_1024b17","FCFP4_1024b170","FCFP4_1024b171","FCFP4_1024b172","FCFP4_1024b173","FCFP4_1024b174","FCFP4_1024b175","FCFP4_1024b176","FCFP4_1024b177","FCFP4_1024b178","FCFP4_1024b179","FCFP4_1024b18","FCFP4_1024b180","FCFP4_1024b181","FCFP4_1024b182","FCFP4_1024b183","FCFP4_1024b184","FCFP4_1024b185","FCFP4_1024b186","FCFP4_1024b187","FCFP4_1024b188","FCFP4_1024b189","FCFP4_1024b19","FCFP4_1024b190","FCFP4_1024b191","FCFP4_1024b192","FCFP4_1024b193","FCFP4_1024b194","FCFP4_1024b195","FCFP4_1024b196","FCFP4_1024b197","FCFP4_1024b198","FCFP4_1024b199","FCFP4_1024b2","FCFP4_1024b20","FCFP4_1024b200","FCFP4_1024b201","FCFP4_1024b202","FCFP4_1024b203","FCFP4_1024b204","FCFP4_1024b205","FCFP4_1024b206","FCFP4_1024b207","FCFP4_1024b208","FCFP4_1024b209","FCFP4_1024b21","FCFP4_1024b210","FCFP4_1024b211","FCFP4_1024b212","FCFP4_1024b213","FCFP4_1024b214","FCFP4_1024b215","FCFP4_1024b216","FCFP4_1024b217","FCFP4_1024b218","FCFP4_1024b219","FCFP4_1024b22","FCFP4_1024b220","FCFP4_1024b221","FCFP4_1024b222","FCFP4_1024b223","FCFP4_1024b224","FCFP4_1024b225","FCFP4_1024b226","FCFP4_1024b227","FCFP4_1024b228","FCFP4_1024b229","FCFP4_1024b23","FCFP4_1024b230","FCFP4_1024b232","FCFP4_1024b233","FCFP4_1024b234","FCFP4_1024b235","FCFP4_1024b236","FCFP4_1024b237","FCFP4_1024b238","FCFP4_1024b239","FCFP4_1024b24","FCFP4_1024b240","FCFP4_1024b241","FCFP4_1024b242","FCFP4_1024b243","FCFP4_1024b244","FCFP4_1024b245","FCFP4_1024b246","FCFP4_1024b247","FCFP4_1024b248","FCFP4_1024b249","FCFP4_1024b25","FCFP4_1024b250","FCFP4_1024b251","FCFP4_1024b252","FCFP4_1024b253","FCFP4_1024b254","FCFP4_1024b255","pXC50"
{1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,59 1,122 1,206 6.921}
{0 CHEMBL174067,8 1,12 1,105 1,144 1,206 5.959}
{0 CHEMBL176679,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,59 1,122 1,206 7.155}
{0 CHEMBL2115067,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,40 1,92 1,111 1,112 1,122 1,144 1,165 1,199 1,206 6.155}
{0 CHEMBL285910,8 1,12 1,98 1,105 1,110 1,144 1,206 4.009}
{0 CHEMBL291020,8 1,12 1,105 1,144 1,206 5.051}
{0 CHEMBL354193,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,59 1,122 1,206 6.523}
{0 CHEMBL35833,8 1,12 1,105 1,110 1,144 1,206 6.018}
{0 CHEMBL367666,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,59 1,206 4.959}
{0 CHEMBL369361,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,40 1,92 1,122 1,144 1,147 1,176 1,206 6.523}
{0 CHEMBL422734,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,59 1,122 1,206 7.523}
{0 CHEMBL426933,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,59 1,122 1,206 6.523}
{0 CHEMBL56112,8 1,40 1,92 1,111 1,112 1,122 1,144 1,165 1,199 1,206 5.301}
{0 CHEMBL56113,8 1,40 1,92 1,111 1,112 1,122 1,144 1,165 1,199 1,206 4.699}
{0 CHEMBL57496,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,40 1,92 1,111 1,112 1,122 1,144 1,165 1,199 1,206 6.155}
{0 CHEMBL57497,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,40 1,92 1,111 1,112 1,122 1,144 1,165 1,199 1,206 6.301}
{0 CHEMBL58383,8 1,40 1,92 1,111 1,112 1,122 1,144 1,165 1,199 1,206 5.155}
{0 CHEMBL59041,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,40 1,92 1,111 1,112 1,122 1,144 1,165 1,199 1,206 6.523}
{0 CHEMBL59211,8 1,40 1,92 1,111 1,112 1,122 1,144 1,165 1,199 1,206 5}