@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3505

@attribute molecule_id {CHEMBL1096289,CHEMBL121388,CHEMBL121915,CHEMBL123132,CHEMBL1277002,CHEMBL13378,CHEMBL154535,CHEMBL154700,CHEMBL1835336,CHEMBL193087,CHEMBL2092841,CHEMBL224688,CHEMBL224872,CHEMBL224926,CHEMBL260328,CHEMBL27130,CHEMBL275040,CHEMBL276815,CHEMBL28472,CHEMBL30285,CHEMBL337577,CHEMBL346524,CHEMBL366489,CHEMBL370941,CHEMBL372643,CHEMBL387549,CHEMBL388746,CHEMBL449296,CHEMBL492469,CHEMBL492628,CHEMBL492629,CHEMBL492630,CHEMBL493596,CHEMBL493665,CHEMBL493892,CHEMBL508818,CHEMBL553028,CHEMBL575060,CHEMBL72366,CHEMBL73698}
@attribute FCFP4_1024b107 numeric
@attribute FCFP4_1024b139 numeric
@attribute FCFP4_1024b283 numeric
@attribute FCFP4_1024b352 numeric
@attribute FCFP4_1024b451 numeric
@attribute FCFP4_1024b453 numeric
@attribute FCFP4_1024b54 numeric
@attribute FCFP4_1024b649 numeric
@attribute FCFP4_1024b821 numeric
@attribute FCFP4_1024b899 numeric
@attribute FCFP4_1024b1 numeric
@attribute FCFP4_1024b10 numeric
@attribute FCFP4_1024b100 numeric
@attribute FCFP4_1024b1000 numeric
@attribute FCFP4_1024b1001 numeric
@attribute FCFP4_1024b1002 numeric
@attribute FCFP4_1024b1003 numeric
@attribute FCFP4_1024b1004 numeric
@attribute FCFP4_1024b1005 numeric
@attribute FCFP4_1024b1006 numeric
@attribute FCFP4_1024b1007 numeric
@attribute FCFP4_1024b1008 numeric
@attribute FCFP4_1024b1009 numeric
@attribute FCFP4_1024b101 numeric
@attribute FCFP4_1024b1010 numeric
@attribute FCFP4_1024b1011 numeric
@attribute FCFP4_1024b1012 numeric
@attribute FCFP4_1024b1013 numeric
@attribute FCFP4_1024b1014 numeric
@attribute FCFP4_1024b1015 numeric
@attribute FCFP4_1024b1016 numeric
@attribute FCFP4_1024b1017 numeric
@attribute FCFP4_1024b1018 numeric
@attribute FCFP4_1024b1019 numeric
@attribute FCFP4_1024b102 numeric
@attribute FCFP4_1024b1020 numeric
@attribute FCFP4_1024b1021 numeric
@attribute FCFP4_1024b1022 numeric
@attribute FCFP4_1024b1023 numeric
@attribute FCFP4_1024b1024 numeric
@attribute FCFP4_1024b103 numeric
@attribute FCFP4_1024b104 numeric
@attribute FCFP4_1024b105 numeric
@attribute FCFP4_1024b106 numeric
@attribute FCFP4_1024b108 numeric
@attribute FCFP4_1024b109 numeric
@attribute FCFP4_1024b11 numeric
@attribute FCFP4_1024b110 numeric
@attribute FCFP4_1024b111 numeric
@attribute FCFP4_1024b112 numeric
@attribute FCFP4_1024b113 numeric
@attribute pXC50 numeric

@data
{11 1,43 1,52 6.495}
{0 CHEMBL121388,11 1,52 6.251}
{0 CHEMBL121915,11 1,52 6.132}
{0 CHEMBL123132,11 1,52 4.924}
{0 CHEMBL1277002,11 1,52 6.06}
{0 CHEMBL13378,11 1,52 4.796}
{0 CHEMBL154535,11 1,52 4.869}
{0 CHEMBL154700,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,25 1,52 4}
{0 CHEMBL1835336,11 1,52 4.69}
{0 CHEMBL193087,11 1,52 8.62}
{0 CHEMBL2092841,11 1,52 6.194}
{0 CHEMBL224688,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,52 4}
{0 CHEMBL224872,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,52 4}
{0 CHEMBL224926,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,52 4}
{0 CHEMBL260328,11 1,52 4.527}
{0 CHEMBL27130,11 1,52 5.67}
{0 CHEMBL275040,11 1,37 1,52 4.328}
{0 CHEMBL276815,11 1,52 7.398}
{0 CHEMBL28472,11 1,52 5.174}
{0 CHEMBL30285,11 1,32 1,52 4}
{0 CHEMBL337577,11 1,48 1,52 5.718}
{0 CHEMBL346524,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,25 1,52 4}
{0 CHEMBL366489,11 1,52 4.848}
{0 CHEMBL370941,11 1,52 10.357}
{0 CHEMBL372643,11 1,52 9.137}
{0 CHEMBL387549,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,52 4}
{0 CHEMBL388746,11 1,52 9.699}
{0 CHEMBL449296,11 1,52 6.183}
{0 CHEMBL492469,11 1,52 4.616}
{0 CHEMBL492628,11 1,48 1,52 4}
{0 CHEMBL492629,11 1,52 5.799}
{0 CHEMBL492630,11 1,52 4.046}
{0 CHEMBL493596,11 1,48 1,52 4}
{0 CHEMBL493665,11 1,48 1,52 4}
{0 CHEMBL493892,11 1,52 4}
{0 CHEMBL508818,11 1,52 4.804}
{0 CHEMBL553028,11 1,52 4.456}
{0 CHEMBL575060,11 1,52 4.77}
{0 CHEMBL72366,11 1,44 1,52 4.924}
{0 CHEMBL73698,11 1,44 1,52 4.42}