"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","pXC50"
{1 1,33 1,52 5.921}
{0 CHEMBL110111,1 1,52 4.301}
{0 CHEMBL110313,1 1,33 1,52 6.222}
{0 CHEMBL111600,1 1,33 1,52 5.62}
{0 CHEMBL111642,1 1,33 1,52 6.398}
{0 CHEMBL112094,1 1,24 1,52 5.097}
{0 CHEMBL112304,1 1,19 1,24 1,52 5.301}
{0 CHEMBL112485,1 1,19 1,24 1,52 6}
{0 CHEMBL112796,1 1,24 1,52 5.523}
{0 CHEMBL113316,1 1,19 1,20 1,52 4.398}
{0 CHEMBL117327,1 1,19 1,36 1,44 1,52 6.523}
{0 CHEMBL119836,1 1,19 1,36 1,44 1,52 6.523}
{0 CHEMBL1215923,1 1,6 1,52 4.089}
{0 CHEMBL133134,1 1,19 1,36 1,44 1,52 5.444}
{0 CHEMBL1627019,1 1,5 1,33 1,52 7}
{0 CHEMBL175597,1 1,5 1,19 1,42 1,52 4.357}
{0 CHEMBL189310,1 1,35 1,52 5.699}
{0 CHEMBL190033,1 1,6 1,52 5}
{0 CHEMBL191230,1 1,15 1,35 1,52 5.699}
{0 CHEMBL191289,1 1,6 1,52 5.222}
{0 CHEMBL191332,1 1,15 1,35 1,52 5.523}
{0 CHEMBL191364,1 1,6 1,52 5.699}
{0 CHEMBL192940,1 1,6 1,52 5.222}
{0 CHEMBL2029056,1 1,5 1,19 1,52 4}
{0 CHEMBL2111731,1 1,19 1,24 1,52 4.658}
{0 CHEMBL2112520,1 1,19 1,24 1,52 5.155}
{0 CHEMBL215557,1 1,33 1,52 7}
{0 CHEMBL217745,1 1,33 1,52 5.886}
{0 CHEMBL218985,1 1,15 1,52 4}
{0 CHEMBL219991,1 1,6 1,35 1,52 4.243}
{0 CHEMBL220208,1 1,35 1,52 4.268}
{0 CHEMBL220254,1 1,6 1,52 6.06}
{0 CHEMBL220255,1 1,35 1,52 5.678}
{0 CHEMBL220338,1 1,15 1,35 1,52 4.708}
{0 CHEMBL220340,1 1,35 1,36 1,52 5.469}
{0 CHEMBL220419,1 1,35 1,52 5.638}
{0 CHEMBL2204272,1 1,5 1,19 1,26 1,38 1,52 4.745}
{0 CHEMBL220560,1 1,15 1,35 1,52 5.538}
{0 CHEMBL220565,1 1,35 1,52 4.991}
{0 CHEMBL220720,1 1,6 1,35 1,52 6.131}
{0 CHEMBL220721,1 1,15 1,35 1,52 4.664}
{0 CHEMBL220776,1 1,35 1,52 5.119}
{0 CHEMBL220779,1 1,15 1,52 4.928}
{0 CHEMBL220828,1 1,6 1,35 1,52 5.377}
{0 CHEMBL220997,1 1,52 5.553}
{0 CHEMBL221041,1 1,35 1,52 4.606}
{0 CHEMBL221111,1 1,15 1,33 1,52 4.457}
{0 CHEMBL221161,1 1,15 1,35 1,52 4.369}
{0 CHEMBL221163,1 1,15 1,35 1,52 5.959}
{0 CHEMBL223009,1 1,35 1,36 1,52 4.71}
{0 CHEMBL223010,1 1,35 1,52 5.959}
{0 CHEMBL2303665,1 1,36 1,44 1,52 6.377}
{0 CHEMBL2303755,1 1,36 1,44 1,52 6.347}
{0 CHEMBL2303775,1 1,5 1,19 1,33 1,52 8.699}
{0 CHEMBL2303881,1 1,6 1,52 4.155}
{0 CHEMBL2311550,1 1,2 1,35 1,52 6.237}
{0 CHEMBL2312301,1 1,20 1,23 1,35 1,52 4.77}
{0 CHEMBL2312303,1 1,20 1,23 1,35 1,52 5.509}
{0 CHEMBL2312304,1 1,20 1,35 1,52 5.131}
{0 CHEMBL2312343,1 1,13 1,20 1,35 1,42 1,52 5.18}
{0 CHEMBL2312644,1 1,2 1,20 1,35 1,52 5.149}
{0 CHEMBL2312645,1 1,2 1,20 1,35 1,52 5.824}
{0 CHEMBL2312646,1 1,2 1,20 1,35 1,52 5.921}
{0 CHEMBL2312647,1 1,2 1,20 1,35 1,52 4.097}
{0 CHEMBL2312648,1 1,2 1,20 1,35 1,52 5.959}
{0 CHEMBL2312649,1 1,2 1,35 1,52 6.398}
{0 CHEMBL2312650,1 1,2 1,35 1,52 5.921}
{0 CHEMBL2312651,1 1,2 1,35 1,52 6.367}
{0 CHEMBL2312652,1 1,2 1,35 1,52 5.658}
{0 CHEMBL2312653,1 1,35 1,52 5.796}
{0 CHEMBL2312654,1 1,2 1,35 1,52 6}
{0 CHEMBL2312655,1 1,35 1,52 5.523}
{0 CHEMBL2312656,1 1,35 1,52 4.097}
{0 CHEMBL2312657,1 1,35 1,52 5.409}
{0 CHEMBL2312658,1 1,20 1,35 1,52 5}
{0 CHEMBL262302,1 1,19 1,36 1,44 1,52 6.523}
{0 CHEMBL288114,1 1,15 1,52 4.719}
{0 CHEMBL292851,1 1,7 1,24 1,26 1,36 1,52 4.339}
{0 CHEMBL293171,1 1,24 1,36 1,52 4.398}
{0 CHEMBL293648,1 1,5 1,19 1,52 4}
{0 CHEMBL293833,1 1,24 1,36 1,47 1,52 4.678}
{0 CHEMBL302139,1 1,7 1,24 1,26 1,36 1,52 4.854}
{0 CHEMBL305599,1 1,7 1,24 1,26 1,36 1,52 4.385}
{0 CHEMBL305870,1 1,19 1,52 4.553}
{0 CHEMBL305902,1 1,15 1,19 1,24 1,52 4.975}
{0 CHEMBL306480,1 1,18 1,52 4.495}
{0 CHEMBL306986,1 1,23 1,52 4.674}
{0 CHEMBL307807,1 1,18 1,19 1,52 4.119}
{0 CHEMBL308039,1 1,18 1,52 4.377}
{0 CHEMBL310195,1 1,18 1,52 4.071}
{0 CHEMBL312246,1 1,52 4.222}
{0 CHEMBL31535,1 1,5 1,19 1,42 1,52 6}
{0 CHEMBL322041,1 1,5 1,33 1,52 4.903}
{0 CHEMBL322096,1 1,33 1,52 6.046}
{0 CHEMBL322755,1 1,33 1,52 4.921}
{0 CHEMBL326618,1 1,5 1,33 1,52 5.77}
{0 CHEMBL326654,1 1,33 1,52 5.602}
{0 CHEMBL326754,1 1,33 1,52 6.194}
{0 CHEMBL335065,1 1,19 1,36 1,44 1,52 4.824}
{0 CHEMBL337229,1 1,19 1,23 1,36 1,44 1,52 4.432}
{0 CHEMBL372049,1 1,6 1,24 1,49 1,52 5.398}
{0 CHEMBL373592,1 1,6 1,35 1,52 5.921}
{0 CHEMBL374735,1 1,52 4.498}
{0 CHEMBL374927,1 1,6 1,35 1,52 4.662}
{0 CHEMBL375763,1 1,6 1,35 1,52 6.244}
{0 CHEMBL376200,1 1,33 1,52 5.469}
{0 CHEMBL386951,1 1,35 1,52 5.62}
{0 CHEMBL386952,1 1,6 1,35 1,52 5.237}
{0 CHEMBL387264,1 1,33 1,52 5.367}
{0 CHEMBL387380,1 1,35 1,52 4.544}
{0 CHEMBL414270,1 1,5 1,17 1,19 1,42 1,52 4.585}
{0 CHEMBL414846,1 1,6 1,36 1,52 5.222}
{0 CHEMBL421697,1 1,18 1,52 4.06}
{0 CHEMBL424929,1 1,15 1,52 4.83}
{0 CHEMBL425369,1 1,13 1,52 5.699}
{0 CHEMBL426376,1 1,6 1,35 1,52 5.444}
{0 CHEMBL426378,1 1,6 1,35 1,52 4.365}
{0 CHEMBL432246,1 1,5 1,33 1,52 7}
{0 CHEMBL438774,1 1,33 1,52 7}
{0 CHEMBL450011,1 1,19 1,44 1,52 5.796}
{0 CHEMBL504516,1 1,23 1,45 1,52 5.301}
{0 CHEMBL507352,1 1,23 1,52 6}
{0 CHEMBL53629,1 1,33 1,52 5.59}
{0 CHEMBL54190,1 1,36 1,44 1,52 6.347}
{0 CHEMBL62853,1 1,24 1,36 1,52 5.333}
{0 CHEMBL63898,1 1,24 1,36 1,52 5.523}
{0 CHEMBL65395,1 1,24 1,35 1,36 1,52 4.577}
{0 CHEMBL74108,1 1,18 1,52 5.301}
{0 CHEMBL76801,1 1,19 1,36 1,44 1,52 6.222}
{0 CHEMBL77488,1 1,18 1,52 4.824}
{0 CHEMBL77499,1 1,18 1,52 4.553}
{0 CHEMBL77654,1 1,33 1,52 4.469}
{0 CHEMBL77658,1 1,18 1,52 5.155}
{0 CHEMBL77834,1 1,33 1,52 4.699}
{0 CHEMBL78221,1 1,23 1,52 4.409}
{0 CHEMBL7864,1 1,13 1,33 1,52 6.301}