@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3621

@attribute molecule_id {CHEMBL1631909,CHEMBL1631919,CHEMBL1631920,CHEMBL1631921,CHEMBL1631922,CHEMBL1631923,CHEMBL1631924,CHEMBL1631925,CHEMBL1631926,CHEMBL1631927,CHEMBL1631928,CHEMBL1631929,CHEMBL1631930,CHEMBL1631931,CHEMBL1631932,CHEMBL1631933,CHEMBL1631934,CHEMBL1783826,CHEMBL201945,CHEMBL232245,CHEMBL233069,CHEMBL234724,CHEMBL261997,CHEMBL262544,CHEMBL262928,CHEMBL263588,CHEMBL263859,CHEMBL264846,CHEMBL265392,CHEMBL265544,CHEMBL265801,CHEMBL268394,CHEMBL269068,CHEMBL317625,CHEMBL384755,CHEMBL389521,CHEMBL390658,CHEMBL394588,CHEMBL394774,CHEMBL394775,CHEMBL396972,CHEMBL398224,CHEMBL405648,CHEMBL406097,CHEMBL406905,CHEMBL406946,CHEMBL407461,CHEMBL407671,CHEMBL409204,CHEMBL409969,CHEMBL410145,CHEMBL410167,CHEMBL410396,CHEMBL410653,CHEMBL411168,CHEMBL411621,CHEMBL411649,CHEMBL412461,CHEMBL412479,CHEMBL412537,CHEMBL412606,CHEMBL413178,CHEMBL413516,CHEMBL413944,CHEMBL414767,CHEMBL414782,CHEMBL414792,CHEMBL414963,CHEMBL415583,CHEMBL415781,CHEMBL425456,CHEMBL427699,CHEMBL427791,CHEMBL428167,CHEMBL428668,CHEMBL429363,CHEMBL429792,CHEMBL436819,CHEMBL437192,CHEMBL437382,CHEMBL437744,CHEMBL438234,CHEMBL438398,CHEMBL442297,CHEMBL51556,CHEMBL541911,CHEMBL554174,CHEMBL556556,CHEMBL557791,CHEMBL96240}
@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_1024b162 numeric
@attribute FCFP4_1024b163 numeric
@attribute FCFP4_1024b164 numeric
@attribute FCFP4_1024b165 numeric
@attribute FCFP4_1024b166 numeric
@attribute FCFP4_1024b167 numeric
@attribute FCFP4_1024b168 numeric
@attribute pXC50 numeric

@data
{1 1,70 1,85 1,95 1,103 9.442}
{0 CHEMBL1631919,1 1,33 1,52 1,85 1,103 7}
{0 CHEMBL1631920,1 1,42 1,52 1,85 1,95 1,103 6.447}
{0 CHEMBL1631921,1 1,85 1,95 1,103 8.409}
{0 CHEMBL1631922,1 1,33 1,52 1,85 1,103 8.517}
{0 CHEMBL1631923,1 1,33 1,52 1,85 1,95 1,103 9.218}
{0 CHEMBL1631924,1 1,33 1,52 1,83 1,85 1,103 7.857}
{0 CHEMBL1631925,1 1,33 1,52 1,85 1,103 7.522}
{0 CHEMBL1631926,1 1,33 1,52 1,70 1,85 1,95 1,103 10.398}
{0 CHEMBL1631927,1 1,85 1,95 1,103 7.405}
{0 CHEMBL1631928,1 1,70 1,85 1,95 1,103 7.493}
{0 CHEMBL1631929,1 1,85 1,103 6.171}
{0 CHEMBL1631930,1 1,33 1,52 1,85 1,95 1,103 7.916}
{0 CHEMBL1631931,1 1,33 1,52 1,70 1,85 1,95 1,103 8.125}
{0 CHEMBL1631932,1 1,33 1,42 1,52 1,85 1,103 7}
{0 CHEMBL1631933,1 1,33 1,42 1,52 1,85 1,95 1,103 7}
{0 CHEMBL1631934,1 1,33 1,52 1,85 1,88 1,95 1,103 7}
{0 CHEMBL1783826,1 1,2 1,52 1,70 1,85 1,103 8}
{0 CHEMBL201945,1 1,2 1,21 1,38 1,52 1,66 1,85 1,103 8.24}
{0 CHEMBL232245,1 1,25 1,85 1,95 1,103 7.26}
{0 CHEMBL233069,1 1,25 1,85 1,95 1,103 8.05}
{0 CHEMBL234724,1 1,25 1,85 1,95 1,103 7.2}
{0 CHEMBL261997,1 1,70 1,85 1,103 9.4}
{0 CHEMBL262544,1 1,23 1,85 1,95 1,97 1,103 8.04}
{0 CHEMBL262928,1 1,26 1,85 1,103 5.75}
{0 CHEMBL263588,1 1,70 1,85 1,95 1,97 1,103 7.9}
{0 CHEMBL263859,1 1,85 1,97 1,103 6.4}
{0 CHEMBL264846,1 1,70 1,85 1,95 1,103 8.59}
{0 CHEMBL265392,1 1,85 1,103 6.3}
{0 CHEMBL265544,1 1,49 1,85 1,103 9}
{0 CHEMBL265801,1 1,85 1,103 8.72}
{0 CHEMBL268394,1 1,25 1,85 1,95 1,103 7.79}
{0 CHEMBL269068,1 1,25 1,85 1,95 1,103 7.46}
{0 CHEMBL317625,1 1,85 1,97 1,103 5}
{0 CHEMBL384755,1 1,85 1,103 7.95}
{0 CHEMBL389521,1 1,85 1,95 1,103 7.888}
{0 CHEMBL390658,1 1,25 1,85 1,95 1,103 7.71}
{0 CHEMBL394588,1 1,25 1,85 1,95 1,103 7.53}
{0 CHEMBL394774,1 1,25 1,85 1,95 1,103 8.35}
{0 CHEMBL394775,1 1,25 1,85 1,95 1,103 7.08}
{0 CHEMBL396972,1 1,25 1,85 1,95 1,103 7.78}
{0 CHEMBL398224,1 1,25 1,85 1,95 1,103 7.75}
{0 CHEMBL405648,1 1,70 1,85 1,103 9.1}
{0 CHEMBL406097,1 1,70 1,85 1,103 8.74}
{0 CHEMBL406905,1 1,85 1,98 1,103 9}
{0 CHEMBL406946,1 1,31 1,85 1,103 7}
{0 CHEMBL407461,1 1,85 1,97 1,103 7}
{0 CHEMBL407671,1 1,85 1,98 1,103 6.5}
{0 CHEMBL409204,1 1,85 1,103 9.52}
{0 CHEMBL409969,1 1,25 1,70 1,85 1,95 1,103 9.24}
{0 CHEMBL410145,1 1,23 1,31 1,85 1,95 1,103 7.24}
{0 CHEMBL410167,1 1,70 1,85 1,103 7.76}
{0 CHEMBL410396,1 1,85 1,97 1,103 8}
{0 CHEMBL410653,1 1,23 1,85 1,95 1,103 9.12}
{0 CHEMBL411168,1 1,31 1,85 1,103 5.6}
{0 CHEMBL411621,1 1,31 1,85 1,95 1,103 6.485}
{0 CHEMBL411649,1 1,23 1,31 1,70 1,85 1,95 1,103 7.895}
{0 CHEMBL412461,1 1,25 1,85 1,95 1,103 7.33}
{0 CHEMBL412479,1 1,85 1,103 8.6}
{0 CHEMBL412537,1 1,70 1,85 1,103 9.05}
{0 CHEMBL412606,1 1,31 1,85 1,103 5.5}
{0 CHEMBL413178,1 1,85 1,103 6.7}
{0 CHEMBL413516,1 1,85 1,103 7.6}
{0 CHEMBL413944,1 1,31 1,70 1,85 1,95 1,103 6.61}
{0 CHEMBL414767,1 1,85 1,95 1,97 1,103 7.435}
{0 CHEMBL414782,1 1,23 1,70 1,85 1,95 1,103 9.36}
{0 CHEMBL414792,1 1,85 1,103 7.8}
{0 CHEMBL414963,1 1,85 1,97 1,103 6.2}
{0 CHEMBL415583,1 1,58 1,85 1,103 7.05}
{0 CHEMBL415781,1 1,25 1,85 1,95 1,103 7.6}
{0 CHEMBL425456,1 1,85 1,103 5.6}
{0 CHEMBL427699,1 1,25 1,85 1,95 1,103 8.12}
{0 CHEMBL427791,1 1,2 1,68 1,85 1,103 9.22}
{0 CHEMBL428167,1 1,31 1,85 1,103 5.5}
{0 CHEMBL428668,1 1,70 1,85 1,103 8.44}
{0 CHEMBL429363,1 1,85 1,103 8.4}
{0 CHEMBL429792,1 1,25 1,85 1,95 1,103 7.83}
{0 CHEMBL436819,1 1,25 1,85 1,95 1,103 8.08}
{0 CHEMBL437192,1 1,25 1,85 1,95 1,103 7.9}
{0 CHEMBL437382,1 1,25 1,85 1,95 1,103 7.87}
{0 CHEMBL437744,1 1,25 1,70 1,85 1,95 1,103 9.1}
{0 CHEMBL438234,1 1,85 1,103 5.6}
{0 CHEMBL438398,1 1,25 1,85 1,95 1,103 7.91}
{0 CHEMBL442297,1 1,23 1,70 1,85 1,95 1,97 1,103 8.735}
{0 CHEMBL51556,1 1,85 1,103 5}
{0 CHEMBL541911,1 1,25 1,85 1,95 1,103 7.56}
{0 CHEMBL554174,1 1,25 1,85 1,95 1,103 7.62}
{0 CHEMBL556556,1 1,25 1,85 1,95 1,103 7.83}
{0 CHEMBL557791,1 1,25 1,85 1,95 1,103 7.12}
{0 CHEMBL96240,1 1,31 1,85 1,103 5}