@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3085

@attribute molecule_id {CHEMBL1258989,CHEMBL1258990,CHEMBL1259007,CHEMBL1259025,CHEMBL1259026,CHEMBL1259044,CHEMBL1259064,CHEMBL1259065,CHEMBL1259233,CHEMBL1628570,CHEMBL1628628,CHEMBL1628669,CHEMBL1790042,CHEMBL1790043,CHEMBL1790044,CHEMBL197110,CHEMBL197176,CHEMBL198315,CHEMBL198618,CHEMBL199564,CHEMBL199617,CHEMBL2062780,CHEMBL2062781,CHEMBL2062782,CHEMBL2062783,CHEMBL2062786,CHEMBL2113110,CHEMBL2113111,CHEMBL2113112,CHEMBL2113113,CHEMBL2113114,CHEMBL2113115,CHEMBL2113116,CHEMBL2113117,CHEMBL2113118,CHEMBL2113119,CHEMBL2113120,CHEMBL2113121,CHEMBL2113122,CHEMBL2113123,CHEMBL2113124,CHEMBL2113125,CHEMBL2113126,CHEMBL2113127,CHEMBL2113128,CHEMBL2113129,CHEMBL2113130,CHEMBL217407,CHEMBL2207073,CHEMBL2207074,CHEMBL2312681,CHEMBL288166,CHEMBL28885,CHEMBL321164,CHEMBL371946,CHEMBL372124,CHEMBL373283,CHEMBL381004,CHEMBL405676,CHEMBL424838,CHEMBL425569,CHEMBL451114,CHEMBL460701,CHEMBL461930,CHEMBL462632,CHEMBL472723,CHEMBL473323,CHEMBL473328,CHEMBL473530,CHEMBL474063,CHEMBL474131,CHEMBL474132,CHEMBL474133,CHEMBL474333,CHEMBL475341,CHEMBL504467,CHEMBL512573,CHEMBL515558,CHEMBL515704,CHEMBL516194,CHEMBL516213,CHEMBL516954,CHEMBL517413,CHEMBL575060,CHEMBL58027,CHEMBL61997,CHEMBL79140}
@attribute FCFP4_1024b453 numeric
@attribute FCFP4_1024b107 numeric
@attribute FCFP4_1024b54 numeric
@attribute FCFP4_1024b281 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 FCFP4_1024b114 numeric
@attribute FCFP4_1024b115 numeric
@attribute FCFP4_1024b116 numeric
@attribute FCFP4_1024b117 numeric
@attribute FCFP4_1024b118 numeric
@attribute FCFP4_1024b119 numeric
@attribute pXC50 numeric

@data
{5 1,6 1,43 1,52 5.409}
{0 CHEMBL1258990,5 1,6 1,43 1,52 5.306}
{0 CHEMBL1259007,5 1,6 1,43 1,52 5.493}
{0 CHEMBL1259025,5 1,43 1,52 4.125}
{0 CHEMBL1259026,5 1,43 1,52 4}
{0 CHEMBL1259044,5 1,43 1,52 4}
{0 CHEMBL1259064,5 1,6 1,43 1,45 1,52 4}
{0 CHEMBL1259065,5 1,6 1,43 1,52 4}
{0 CHEMBL1259233,5 1,6 1,52 6.377}
{0 CHEMBL1628570,1 1,2 1,3 1,4 1,5 1,52 6.523}
{0 CHEMBL1628628,1 1,2 1,3 1,5 1,52 7.81}
{0 CHEMBL1628669,1 1,2 1,3 1,4 1,5 1,52 5.301}
{0 CHEMBL1790042,5 1,52 4.824}
{0 CHEMBL1790043,5 1,52 4.796}
{0 CHEMBL1790044,5 1,52 4.161}
{0 CHEMBL197110,5 1,52 3.854}
{0 CHEMBL197176,5 1,52 4.539}
{0 CHEMBL198315,1 1,2 1,3 1,4 1,5 1,52 5.699}
{0 CHEMBL198618,5 1,52 4.913}
{0 CHEMBL199564,5 1,52 4.498}
{0 CHEMBL199617,5 1,52 4.325}
{0 CHEMBL2062780,5 1,6 1,43 1,52 4}
{0 CHEMBL2062781,5 1,6 1,43 1,52 4.79}
{0 CHEMBL2062782,5 1,6 1,43 1,52 4}
{0 CHEMBL2062783,5 1,6 1,30 1,43 1,52 5.28}
{0 CHEMBL2062786,5 1,6 1,30 1,43 1,52 5.43}
{0 CHEMBL2113110,1 1,2 1,3 1,4 1,5 1,52 5.699}
{0 CHEMBL2113111,1 1,2 1,3 1,4 1,5 1,10 1,52 6.699}
{0 CHEMBL2113112,1 1,2 1,3 1,4 1,5 1,10 1,52 6.886}
{0 CHEMBL2113113,1 1,2 1,3 1,4 1,5 1,52 6.398}
{0 CHEMBL2113114,1 1,2 1,3 1,4 1,5 1,10 1,52 4.201}
{0 CHEMBL2113115,1 1,2 1,3 1,4 1,5 1,52 7}
{0 CHEMBL2113116,1 1,2 1,3 1,4 1,5 1,52 6.824}
{0 CHEMBL2113117,1 1,2 1,3 1,4 1,5 1,52 6.523}
{0 CHEMBL2113118,1 1,2 1,3 1,4 1,5 1,52 6.699}
{0 CHEMBL2113119,1 1,2 1,3 1,4 1,5 1,28 1,52 5.42}
{0 CHEMBL2113120,1 1,2 1,3 1,4 1,5 1,15 1,52 6}
{0 CHEMBL2113121,1 1,2 1,3 1,4 1,5 1,52 5.538}
{0 CHEMBL2113122,1 1,2 1,3 1,4 1,5 1,10 1,52 7}
{0 CHEMBL2113123,1 1,2 1,3 1,4 1,5 1,10 1,52 6}
{0 CHEMBL2113124,1 1,2 1,3 1,4 1,5 1,52 4.699}
{0 CHEMBL2113125,1 1,2 1,3 1,4 1,5 1,52 5.699}
{0 CHEMBL2113126,1 1,2 1,3 1,4 1,5 1,52 6.155}
{0 CHEMBL2113127,2 1,3 1,4 1,5 1,10 1,52 5.222}
{0 CHEMBL2113128,1 1,2 1,3 1,4 1,5 1,52 4}
{0 CHEMBL2113129,1 1,2 1,3 1,4 1,5 1,52 4.658}
{0 CHEMBL2113130,1 1,2 1,3 1,4 1,5 1,52 5.523}
{0 CHEMBL217407,5 1,52 4.009}
{0 CHEMBL2207073,5 1,6 1,29 1,52 4.852}
{0 CHEMBL2207074,5 1,6 1,52 4.78}
{0 CHEMBL2312681,5 1,52 4}
{0 CHEMBL288166,5 1,52 4.903}
{0 CHEMBL28885,5 1,52 4}
{0 CHEMBL321164,5 1,38 1,52 4}
{0 CHEMBL371946,5 1,52 3}
{0 CHEMBL372124,5 1,52 4.639}
{0 CHEMBL373283,1 1,2 1,3 1,4 1,5 1,52 5.523}
{0 CHEMBL381004,5 1,52 4.311}
{0 CHEMBL405676,5 1,52 3.523}
{0 CHEMBL424838,1 1,2 1,3 1,4 1,5 1,10 1,52 6.523}
{0 CHEMBL425569,1 1,2 1,3 1,4 1,5 1,52 6.155}
{0 CHEMBL451114,5 1,6 1,43 1,52 5.639}
{0 CHEMBL460701,5 1,6 1,43 1,52 4.852}
{0 CHEMBL461930,5 1,6 1,43 1,52 5.442}
{0 CHEMBL462632,5 1,6 1,43 1,52 5.565}
{0 CHEMBL472723,5 1,6 1,43 1,52 4}
{0 CHEMBL473323,3 1,5 1,6 1,43 1,46 1,52 4}
{0 CHEMBL473328,5 1,6 1,43 1,52 5.131}
{0 CHEMBL473530,5 1,6 1,43 1,52 5.674}
{0 CHEMBL474063,5 1,6 1,52 5.038}
{0 CHEMBL474131,5 1,6 1,52 4.512}
{0 CHEMBL474132,5 1,6 1,43 1,52 5.493}
{0 CHEMBL474133,5 1,6 1,43 1,52 6.91}
{0 CHEMBL474333,5 1,6 1,43 1,52 5.134}
{0 CHEMBL475341,5 1,52 5.5}
{0 CHEMBL504467,5 1,6 1,43 1,52 5.002}
{0 CHEMBL512573,5 1,6 1,43 1,52 5.324}
{0 CHEMBL515558,5 1,6 1,43 1,52 5.442}
{0 CHEMBL515704,5 1,6 1,43 1,52 5.369}
{0 CHEMBL516194,5 1,6 1,43 1,52 4.512}
{0 CHEMBL516213,5 1,6 1,43 1,52 4.965}
{0 CHEMBL516954,5 1,6 1,43 1,52 5.399}
{0 CHEMBL517413,5 1,6 1,43 1,52 5.329}
{0 CHEMBL575060,5 1,52 5.07}
{0 CHEMBL58027,5 1,52 3.93}
{0 CHEMBL61997,5 1,52 4.938}
{0 CHEMBL79140,5 1,52 4.638}