@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4142

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL103667,CHEMBL105442,CHEMBL1172957,CHEMBL1173655,CHEMBL119385,CHEMBL1230020,CHEMBL1236107,CHEMBL1240703,CHEMBL1241674,CHEMBL124660,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1421,CHEMBL14762,CHEMBL1614701,CHEMBL162,CHEMBL167425,CHEMBL168335,CHEMBL169397,CHEMBL169837,CHEMBL169854,CHEMBL170415,CHEMBL170519,CHEMBL170907,CHEMBL171161,CHEMBL171413,CHEMBL171509,CHEMBL1721885,CHEMBL172746,CHEMBL177688,CHEMBL1779202,CHEMBL178455,CHEMBL1784637,CHEMBL1784725,CHEMBL1789941,CHEMBL180022,CHEMBL1822792,CHEMBL1823221,CHEMBL1834657,CHEMBL188386,CHEMBL188502,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL190984,CHEMBL191003,CHEMBL191336,CHEMBL1929238,CHEMBL1933288,CHEMBL1945559,CHEMBL1949788,CHEMBL1949789,CHEMBL2071201,CHEMBL21156,CHEMBL215152,CHEMBL215803,CHEMBL2180605,CHEMBL2216830,CHEMBL221959,CHEMBL223360,CHEMBL230011,CHEMBL230686,CHEMBL2309006,CHEMBL2309609,CHEMBL2332840,CHEMBL2333365,CHEMBL24828,CHEMBL249697,CHEMBL255863,CHEMBL259084,CHEMBL261849,CHEMBL276125,CHEMBL278041,CHEMBL288441,CHEMBL296468,CHEMBL300138,CHEMBL31965,CHEMBL352308,CHEMBL352342,CHEMBL352534,CHEMBL353668,CHEMBL353884,CHEMBL353991,CHEMBL354224,CHEMBL354830,CHEMBL354898,CHEMBL354902,CHEMBL355436,CHEMBL363130,CHEMBL363607,CHEMBL371169,CHEMBL372657,CHEMBL377300,CHEMBL379218,CHEMBL384304,CHEMBL386051,CHEMBL414643,CHEMBL428690,CHEMBL429743,CHEMBL440084,CHEMBL445813,CHEMBL450786,CHEMBL453737,CHEMBL464552,CHEMBL475251,CHEMBL477772,CHEMBL483321,CHEMBL491473,CHEMBL494089,CHEMBL495727,CHEMBL502835,CHEMBL504075,CHEMBL505896,CHEMBL509032,CHEMBL513909,CHEMBL521851,CHEMBL522892,CHEMBL525191,CHEMBL535,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL569880,CHEMBL571040,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576982,CHEMBL598797,CHEMBL600795,CHEMBL601719,CHEMBL602471,CHEMBL602472,CHEMBL607707,CHEMBL608154,CHEMBL91829,CHEMBL939,CHEMBL941}
@attribute FCFP4_1024b787 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_1024b107 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 FCFP4_1024b114 numeric
@attribute FCFP4_1024b115 numeric
@attribute FCFP4_1024b116 numeric
@attribute FCFP4_1024b117 numeric
@attribute FCFP4_1024b118 numeric
@attribute FCFP4_1024b119 numeric
@attribute FCFP4_1024b12 numeric
@attribute FCFP4_1024b120 numeric
@attribute pXC50 numeric

@data
{1 1,2 1,17 1,25 1,51 1,52 5}
{0 CHEMBL101253,2 1,52 5}
{0 CHEMBL103667,2 1,3 1,36 1,52 4.62}
{0 CHEMBL105442,2 1,52 5}
{0 CHEMBL1172957,2 1,52 5}
{0 CHEMBL1173655,2 1,3 1,36 1,52 5}
{0 CHEMBL119385,2 1,8 1,19 1,52 5}
{0 CHEMBL1230020,2 1,36 1,52 5.509}
{0 CHEMBL1236107,2 1,52 5}
{0 CHEMBL1240703,2 1,9 1,45 1,52 5}
{0 CHEMBL1241674,2 1,27 1,52 6.678}
{0 CHEMBL124660,2 1,3 1,36 1,52 5}
{0 CHEMBL1287853,2 1,3 1,52 6.328}
{0 CHEMBL1289926,2 1,5 1,28 1,37 1,51 1,52 6.959}
{0 CHEMBL1336,2 1,36 1,37 1,50 1,52 5.569}
{0 CHEMBL1421,2 1,3 1,17 1,36 1,52 5.854}
{0 CHEMBL14762,2 1,36 1,52 5}
{0 CHEMBL1614701,2 1,40 1,52 5}
{0 CHEMBL162,2 1,37 1,45 1,52 7.235}
{0 CHEMBL167425,2 1,4 1,52 6.886}
{0 CHEMBL168335,2 1,3 1,4 1,52 7.149}
{0 CHEMBL169397,2 1,3 1,4 1,52 6.699}
{0 CHEMBL169837,2 1,4 1,52 7.268}
{0 CHEMBL169854,2 1,4 1,52 7}
{0 CHEMBL170415,2 1,4 1,52 6.357}
{0 CHEMBL170519,2 1,4 1,52 7.398}
{0 CHEMBL170907,2 1,4 1,52 7.201}
{0 CHEMBL171161,2 1,4 1,50 1,52 5}
{0 CHEMBL171413,2 1,4 1,52 6.721}
{0 CHEMBL171509,2 1,3 1,4 1,52 7.638}
{0 CHEMBL1721885,2 1,3 1,36 1,51 1,52 6.102}
{0 CHEMBL172746,2 1,52 5.051}
{0 CHEMBL177688,2 1,36 1,39 1,52 6.678}
{0 CHEMBL1779202,2 1,3 1,25 1,51 1,52 6.444}
{0 CHEMBL178455,2 1,36 1,52 6.77}
{0 CHEMBL1784637,2 1,3 1,25 1,36 1,37 1,50 1,52 8.824}
{0 CHEMBL1784725,2 1,31 1,52 5}
{0 CHEMBL1789941,2 1,3 1,40 1,52 5}
{0 CHEMBL180022,2 1,3 1,36 1,52 5}
{0 CHEMBL1822792,2 1,3 1,7 1,36 1,52 7.409}
{0 CHEMBL1823221,2 1,3 1,25 1,51 1,52 4.301}
{0 CHEMBL1834657,2 1,3 1,17 1,36 1,52 8.699}
{0 CHEMBL188386,2 1,36 1,39 1,52 5.627}
{0 CHEMBL188502,2 1,36 1,39 1,52 6.533}
{0 CHEMBL1908391,1 1,2 1,3 1,36 1,39 1,52 5}
{0 CHEMBL1908392,2 1,3 1,9 1,52 6.456}
{0 CHEMBL1908393,2 1,3 1,36 1,52 6.097}
{0 CHEMBL1908394,2 1,3 1,50 1,52 5}
{0 CHEMBL1908395,2 1,3 1,25 1,36 1,52 5.444}
{0 CHEMBL1908396,2 1,36 1,52 5}
{0 CHEMBL1908397,2 1,5 1,51 1,52 6.071}
{0 CHEMBL190984,2 1,3 1,36 1,39 1,52 5.854}
{0 CHEMBL191003,2 1,24 1,27 1,52 6.413}
{0 CHEMBL191336,2 1,17 1,36 1,52 5}
{0 CHEMBL1929238,2 1,3 1,7 1,36 1,52 4.523}
{0 CHEMBL1933288,2 1,3 1,36 1,40 1,52 6.495}
{0 CHEMBL1945559,2 1,3 1,6 1,52 5}
{0 CHEMBL1949788,2 1,25 1,52 4.301}
{0 CHEMBL1949789,2 1,25 1,52 4.301}
{0 CHEMBL2071201,2 1,36 1,52 8.699}
{0 CHEMBL21156,2 1,52 6.027}
{0 CHEMBL215152,2 1,3 1,5 1,36 1,51 1,52 5}
{0 CHEMBL215803,1 1,2 1,3 1,52 6}
{0 CHEMBL2180605,2 1,16 1,37 1,52 7.084}
{0 CHEMBL2216830,2 1,3 1,36 1,52 8.208}
{0 CHEMBL221959,2 1,3 1,11 1,52 5}
{0 CHEMBL223360,1 1,2 1,5 1,27 1,36 1,52 5}
{0 CHEMBL230011,1 1,27 1,52 5}
{0 CHEMBL230686,2 1,3 1,7 1,52 6.307}
{0 CHEMBL2309006,2 1,8 1,45 1,52 6.18}
{0 CHEMBL2309609,2 1,9 1,45 1,52 5.62}
{0 CHEMBL2332840,2 1,5 1,32 1,36 1,50 1,52 5.744}
{0 CHEMBL2333365,1 1,2 1,7 1,9 1,27 1,52 5}
{0 CHEMBL24828,2 1,3 1,52 5.61}
{0 CHEMBL249697,2 1,36 1,52 5}
{0 CHEMBL255863,1 1,2 1,36 1,50 1,52 5}
{0 CHEMBL259084,1 1,2 1,16 1,52 5.77}
{0 CHEMBL261849,2 1,27 1,52 5}
{0 CHEMBL276125,2 1,52 6.699}
{0 CHEMBL278041,1 1,17 1,25 1,52 5}
{0 CHEMBL288441,2 1,3 1,52 5}
{0 CHEMBL296468,2 1,36 1,46 1,52 5}
{0 CHEMBL300138,2 1,3 1,52 5}
{0 CHEMBL31965,2 1,3 1,36 1,52 5}
{0 CHEMBL352308,2 1,4 1,14 1,52 7.109}
{0 CHEMBL352342,1 1,2 1,52 5.337}
{0 CHEMBL352534,2 1,36 1,52 5.469}
{0 CHEMBL353668,2 1,4 1,52 6}
{0 CHEMBL353884,1 1,2 1,52 5}
{0 CHEMBL353991,2 1,4 1,52 5}
{0 CHEMBL354224,2 1,4 1,14 1,52 6.585}
{0 CHEMBL354830,2 1,52 6.108}
{0 CHEMBL354898,2 1,4 1,14 1,52 7.155}
{0 CHEMBL354902,2 1,3 1,4 1,52 6.699}
{0 CHEMBL355436,2 1,3 1,4 1,52 6.456}
{0 CHEMBL363130,2 1,24 1,27 1,52 6.745}
{0 CHEMBL363607,2 1,24 1,52 6.569}
{0 CHEMBL371169,2 1,36 1,39 1,52 6.487}
{0 CHEMBL372657,2 1,36 1,39 1,52 6.815}
{0 CHEMBL377300,2 1,51 1,52 6.959}
{0 CHEMBL379218,1 1,2 1,5 1,51 1,52 5}
{0 CHEMBL384304,2 1,3 1,27 1,36 1,52 5}
{0 CHEMBL386051,2 1,52 7.509}
{0 CHEMBL414643,2 1,3 1,4 1,52 7.149}
{0 CHEMBL428690,2 1,3 1,52 5}
{0 CHEMBL429743,2 1,36 1,52 7.26}
{0 CHEMBL440084,1 1,2 1,52 5}
{0 CHEMBL445813,2 1,5 1,36 1,52 5}
{0 CHEMBL450786,2 1,3 1,25 1,36 1,51 1,52 5.284}
{0 CHEMBL453737,2 1,3 1,32 1,36 1,52 6.854}
{0 CHEMBL464552,2 1,3 1,37 1,52 5}
{0 CHEMBL475251,2 1,21 1,36 1,48 1,52 7.137}
{0 CHEMBL477772,2 1,52 6.678}
{0 CHEMBL483321,2 1,37 1,52 5}
{0 CHEMBL491473,2 1,3 1,51 1,52 7.456}
{0 CHEMBL494089,2 1,27 1,39 1,52 5}
{0 CHEMBL495727,2 1,3 1,5 1,32 1,36 1,52 9}
{0 CHEMBL502835,2 1,3 1,9 1,52 7.432}
{0 CHEMBL504075,2 1,25 1,36 1,52 5}
{0 CHEMBL505896,2 1,3 1,6 1,32 1,52 6}
{0 CHEMBL509032,2 1,3 1,52 6.602}
{0 CHEMBL513909,2 1,3 1,18 1,52 5}
{0 CHEMBL521851,1 1,2 1,3 1,5 1,39 1,52 5}
{0 CHEMBL522892,2 1,3 1,32 1,36 1,52 6.387}
{0 CHEMBL525191,1 1,2 1,7 1,17 1,24 1,52 5}
{0 CHEMBL535,2 1,3 1,36 1,51 1,52 6.26}
{0 CHEMBL553,2 1,9 1,52 5.361}
{0 CHEMBL554,1 1,2 1,32 1,52 5}
{0 CHEMBL558752,2 1,36 1,40 1,50 1,52 5}
{0 CHEMBL569880,2 1,9 1,36 1,52 5.699}
{0 CHEMBL571040,2 1,9 1,36 1,52 5.387}
{0 CHEMBL572878,2 1,3 1,5 1,17 1,36 1,51 1,52 6.244}
{0 CHEMBL572881,2 1,36 1,52 5}
{0 CHEMBL573339,1 1,2 1,22 1,39 1,52 5}
{0 CHEMBL574738,2 1,3 1,17 1,36 1,37 1,50 1,52 5.721}
{0 CHEMBL576982,1 1,2 1,3 1,36 1,39 1,52 5}
{0 CHEMBL598797,2 1,52 5.465}
{0 CHEMBL600795,2 1,52 4.62}
{0 CHEMBL601719,2 1,27 1,52 5}
{0 CHEMBL602471,2 1,26 1,37 1,52 5.161}
{0 CHEMBL602472,2 1,52 4.921}
{0 CHEMBL607707,2 1,3 1,36 1,52 5}
{0 CHEMBL608154,2 1,36 1,52 5}
{0 CHEMBL91829,2 1,3 1,32 1,52 5}
{0 CHEMBL939,2 1,3 1,52 5}
{0 CHEMBL941,1 1,2 1,3 1,36 1,52 5}