@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3972

@attribute molecule_id {CHEMBL13659,CHEMBL13705,CHEMBL140448,CHEMBL142806,CHEMBL152172,CHEMBL153550,CHEMBL156308,CHEMBL156551,CHEMBL157230,CHEMBL157775,CHEMBL157857,CHEMBL158034,CHEMBL170101,CHEMBL17383,CHEMBL192632,CHEMBL205246,CHEMBL2158681,CHEMBL2158682,CHEMBL22344,CHEMBL225072,CHEMBL23872,CHEMBL23977,CHEMBL257691,CHEMBL25889,CHEMBL272112,CHEMBL273174,CHEMBL278515,CHEMBL279302,CHEMBL284013,CHEMBL285232,CHEMBL286459,CHEMBL287700,CHEMBL289923,CHEMBL290815,CHEMBL294768,CHEMBL29713,CHEMBL30301,CHEMBL30364,CHEMBL30842,CHEMBL309415,CHEMBL31027,CHEMBL31107,CHEMBL31176,CHEMBL315076,CHEMBL315627,CHEMBL31609,CHEMBL34259,CHEMBL350097,CHEMBL365307,CHEMBL36623,CHEMBL36639,CHEMBL36674,CHEMBL379094,CHEMBL381706,CHEMBL417304,CHEMBL422406,CHEMBL424683,CHEMBL440950,CHEMBL451818,CHEMBL451819,CHEMBL452322,CHEMBL452324,CHEMBL452837,CHEMBL453089,CHEMBL453090,CHEMBL453348,CHEMBL484860,CHEMBL484861,CHEMBL485481,CHEMBL490934,CHEMBL491104,CHEMBL491129,CHEMBL491298,CHEMBL498800,CHEMBL502528,CHEMBL508910,CHEMBL522455,CHEMBL526928,CHEMBL590740,CHEMBL605580,CHEMBL82181,CHEMBL82261,CHEMBL82390,CHEMBL84045,CHEMBL84163,CHEMBL84605,CHEMBL84728,CHEMBL84904,CHEMBL84935,CHEMBL85436,CHEMBL85848,CHEMBL85871,CHEMBL88929}
@attribute FCFP4_1024b420 numeric
@attribute FCFP4_1024b162 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 FCFP4_1024b121 numeric
@attribute FCFP4_1024b122 numeric
@attribute FCFP4_1024b123 numeric
@attribute FCFP4_1024b124 numeric
@attribute FCFP4_1024b125 numeric
@attribute FCFP4_1024b126 numeric
@attribute FCFP4_1024b127 numeric
@attribute FCFP4_1024b128 numeric
@attribute FCFP4_1024b129 numeric
@attribute FCFP4_1024b13 numeric
@attribute FCFP4_1024b130 numeric
@attribute FCFP4_1024b131 numeric
@attribute FCFP4_1024b132 numeric
@attribute FCFP4_1024b133 numeric
@attribute FCFP4_1024b134 numeric
@attribute FCFP4_1024b135 numeric
@attribute FCFP4_1024b136 numeric
@attribute FCFP4_1024b137 numeric
@attribute FCFP4_1024b138 numeric
@attribute FCFP4_1024b139 numeric
@attribute FCFP4_1024b14 numeric
@attribute FCFP4_1024b140 numeric
@attribute FCFP4_1024b141 numeric
@attribute FCFP4_1024b142 numeric
@attribute FCFP4_1024b143 numeric
@attribute FCFP4_1024b144 numeric
@attribute FCFP4_1024b145 numeric
@attribute FCFP4_1024b146 numeric
@attribute FCFP4_1024b147 numeric
@attribute FCFP4_1024b148 numeric
@attribute FCFP4_1024b149 numeric
@attribute FCFP4_1024b15 numeric
@attribute FCFP4_1024b150 numeric
@attribute FCFP4_1024b151 numeric
@attribute FCFP4_1024b152 numeric
@attribute FCFP4_1024b153 numeric
@attribute FCFP4_1024b154 numeric
@attribute FCFP4_1024b155 numeric
@attribute FCFP4_1024b156 numeric
@attribute FCFP4_1024b157 numeric
@attribute FCFP4_1024b158 numeric
@attribute FCFP4_1024b159 numeric
@attribute FCFP4_1024b16 numeric
@attribute FCFP4_1024b160 numeric
@attribute FCFP4_1024b161 numeric
@attribute FCFP4_1024b163 numeric
@attribute FCFP4_1024b164 numeric
@attribute FCFP4_1024b165 numeric
@attribute FCFP4_1024b166 numeric
@attribute FCFP4_1024b167 numeric
@attribute pXC50 numeric

@data
{3 1,28 1,37 1,103 5.523}
{0 CHEMBL13705,3 1,41 1,87 1,103 5.783}
{0 CHEMBL140448,3 1,28 1,66 1,103 5.398}
{0 CHEMBL142806,3 1,28 1,37 1,68 1,103 6.772}
{0 CHEMBL152172,3 1,28 1,103 4.745}
{0 CHEMBL153550,3 1,28 1,103 5.367}
{0 CHEMBL156308,3 1,4 1,28 1,37 1,103 4.585}
{0 CHEMBL156551,3 1,23 1,28 1,103 4}
{0 CHEMBL157230,3 1,28 1,37 1,53 1,103 5.276}
{0 CHEMBL157775,3 1,23 1,28 1,103 4}
{0 CHEMBL157857,3 1,23 1,28 1,37 1,103 4.066}
{0 CHEMBL158034,3 1,12 1,28 1,37 1,103 4.699}
{0 CHEMBL170101,3 1,28 1,37 1,68 1,103 6.658}
{0 CHEMBL17383,3 1,12 1,23 1,28 1,37 1,76 1,103 4.523}
{0 CHEMBL192632,1 1,3 1,23 1,28 1,103 7.745}
{0 CHEMBL205246,3 1,28 1,94 1,103 4.678}
{0 CHEMBL2158681,1 1,2 1,3 1,23 1,28 1,70 1,103 8.747}
{0 CHEMBL2158682,1 1,2 1,3 1,23 1,28 1,70 1,103 8.693}
{0 CHEMBL22344,3 1,28 1,66 1,103 5.886}
{0 CHEMBL225072,3 1,28 1,86 1,103 6.42}
{0 CHEMBL23872,3 1,28 1,68 1,103 4.699}
{0 CHEMBL23977,3 1,28 1,37 1,66 1,103 5.699}
{0 CHEMBL257691,3 1,41 1,87 1,103 6.222}
{0 CHEMBL25889,3 1,66 1,69 1,79 1,103 4.77}
{0 CHEMBL272112,3 1,41 1,87 1,103 5.745}
{0 CHEMBL273174,3 1,41 1,87 1,103 4}
{0 CHEMBL278515,3 1,23 1,28 1,76 1,103 4.523}
{0 CHEMBL279302,3 1,28 1,37 1,53 1,103 10.854}
{0 CHEMBL284013,1 1,3 1,28 1,103 4.602}
{0 CHEMBL285232,3 1,28 1,37 1,103 5.456}
{0 CHEMBL286459,3 1,28 1,66 1,72 1,103 4}
{0 CHEMBL287700,3 1,28 1,66 1,103 4.347}
{0 CHEMBL289923,3 1,28 1,37 1,68 1,103 5.319}
{0 CHEMBL290815,1 1,3 1,28 1,37 1,103 4.699}
{0 CHEMBL294768,3 1,28 1,37 1,103 6.854}
{0 CHEMBL29713,3 1,28 1,37 1,60 1,103 4.728}
{0 CHEMBL30301,3 1,26 1,28 1,37 1,103 5.215}
{0 CHEMBL30364,3 1,28 1,37 1,103 4.74}
{0 CHEMBL30842,3 1,28 1,103 5.585}
{0 CHEMBL309415,2 1,3 1,28 1,102 1,103 7.523}
{0 CHEMBL31027,3 1,28 1,37 1,77 1,103 4.284}
{0 CHEMBL31107,3 1,28 1,103 4}
{0 CHEMBL31176,3 1,28 1,37 1,103 5.509}
{0 CHEMBL315076,3 1,28 1,37 1,103 7.456}
{0 CHEMBL315627,1 1,2 1,3 1,28 1,102 1,103 7.495}
{0 CHEMBL31609,3 1,28 1,103 5.276}
{0 CHEMBL34259,3 1,28 1,103 4.699}
{0 CHEMBL350097,3 1,23 1,28 1,66 1,103 7.79}
{0 CHEMBL365307,1 1,3 1,23 1,28 1,103 8.167}
{0 CHEMBL36623,3 1,5 1,28 1,37 1,103 4.699}
{0 CHEMBL36639,1 1,3 1,28 1,37 1,53 1,103 4.699}
{0 CHEMBL36674,3 1,28 1,37 1,103 4.398}
{0 CHEMBL379094,3 1,28 1,103 7.523}
{0 CHEMBL381706,3 1,28 1,97 1,103 5.301}
{0 CHEMBL417304,3 1,28 1,37 1,103 5.18}
{0 CHEMBL422406,3 1,28 1,37 1,103 5.686}
{0 CHEMBL424683,3 1,28 1,97 1,103 6.886}
{0 CHEMBL440950,3 1,28 1,37 1,82 1,103 4.456}
{0 CHEMBL451818,3 1,41 1,87 1,103 7.824}
{0 CHEMBL451819,3 1,41 1,87 1,103 7.854}
{0 CHEMBL452322,3 1,5 1,41 1,87 1,103 6.745}
{0 CHEMBL452324,3 1,5 1,41 1,87 1,103 6.071}
{0 CHEMBL452837,3 1,41 1,87 1,103 5.959}
{0 CHEMBL453089,3 1,41 1,87 1,103 5.959}
{0 CHEMBL453090,3 1,5 1,41 1,87 1,103 6.678}
{0 CHEMBL453348,3 1,41 1,87 1,103 5.854}
{0 CHEMBL484860,3 1,37 1,83 1,103 4}
{0 CHEMBL484861,3 1,11 1,25 1,31 1,37 1,99 1,103 5.319}
{0 CHEMBL485481,3 1,25 1,31 1,37 1,99 1,103 4}
{0 CHEMBL490934,1 1,2 1,3 1,88 1,103 7.86}
{0 CHEMBL491104,1 1,2 1,3 1,88 1,103 7.876}
{0 CHEMBL491129,1 1,2 1,3 1,88 1,103 7.627}
{0 CHEMBL491298,1 1,2 1,3 1,88 1,103 7.575}
{0 CHEMBL498800,3 1,23 1,28 1,103 6}
{0 CHEMBL502528,1 1,3 1,23 1,28 1,103 8.143}
{0 CHEMBL508910,3 1,5 1,41 1,87 1,103 5.921}
{0 CHEMBL522455,2 1,3 1,88 1,103 7.491}
{0 CHEMBL526928,1 1,3 1,23 1,28 1,103 8.066}
{0 CHEMBL590740,1 1,3 1,23 1,28 1,102 1,103 6.201}
{0 CHEMBL605580,1 1,3 1,23 1,28 1,102 1,103 5.116}
{0 CHEMBL82181,3 1,26 1,28 1,37 1,103 8.469}
{0 CHEMBL82261,1 1,2 1,3 1,28 1,37 1,102 1,103 8.699}
{0 CHEMBL82390,1 1,2 1,3 1,28 1,37 1,102 1,103 7.824}
{0 CHEMBL84045,3 1,26 1,28 1,103 6.084}
{0 CHEMBL84163,1 1,3 1,28 1,37 1,102 1,103 7.553}
{0 CHEMBL84605,1 1,2 1,3 1,28 1,83 1,102 1,103 7.854}
{0 CHEMBL84728,3 1,28 1,103 4.523}
{0 CHEMBL84904,3 1,28 1,103 7.42}
{0 CHEMBL84935,1 1,2 1,3 1,28 1,83 1,102 1,103 8.071}
{0 CHEMBL85436,1 1,3 1,28 1,37 1,102 1,103 8.523}
{0 CHEMBL85848,3 1,28 1,102 1,103 5.699}
{0 CHEMBL85871,1 1,3 1,28 1,102 1,103 7.456}
{0 CHEMBL88929,3 1,37 1,68 1,77 1,103 4.086}