@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3201

@attribute molecule_id {CHEMBL1213905,CHEMBL1300615,CHEMBL1301047,CHEMBL1303116,CHEMBL1303938,CHEMBL1307677,CHEMBL1311023,CHEMBL1318995,CHEMBL1319352,CHEMBL1319897,CHEMBL1324157,CHEMBL1327628,CHEMBL1331513,CHEMBL1336615,CHEMBL1337776,CHEMBL1340000,CHEMBL134370,CHEMBL1344938,CHEMBL134683,CHEMBL1346834,CHEMBL135026,CHEMBL1351066,CHEMBL1351173,CHEMBL135555,CHEMBL136116,CHEMBL136129,CHEMBL136151,CHEMBL136184,CHEMBL136222,CHEMBL136335,CHEMBL136345,CHEMBL136430,CHEMBL136453,CHEMBL136461,CHEMBL136496,CHEMBL136570,CHEMBL136676,CHEMBL136710,CHEMBL136729,CHEMBL136782,CHEMBL136843,CHEMBL136844,CHEMBL136882,CHEMBL136889,CHEMBL1369106,CHEMBL1369293,CHEMBL136982,CHEMBL137055,CHEMBL137220,CHEMBL1372374,CHEMBL137264,CHEMBL137304,CHEMBL1373822,CHEMBL137408,CHEMBL137418,CHEMBL137477,CHEMBL1375468,CHEMBL137620,CHEMBL137662,CHEMBL137665,CHEMBL137799,CHEMBL137849,CHEMBL1379527,CHEMBL1379906,CHEMBL138121,CHEMBL138223,CHEMBL1382475,CHEMBL1383935,CHEMBL1383970,CHEMBL1386446,CHEMBL1387471,CHEMBL139202,CHEMBL139204,CHEMBL1392445,CHEMBL1393674,CHEMBL139414,CHEMBL139585,CHEMBL139588,CHEMBL1398824,CHEMBL1400961,CHEMBL1402878,CHEMBL1404230,CHEMBL1407509,CHEMBL1413196,CHEMBL1414242,CHEMBL1421125,CHEMBL1425667,CHEMBL1427162,CHEMBL1427854,CHEMBL1430231,CHEMBL1430347,CHEMBL1432238,CHEMBL14377,CHEMBL1445852,CHEMBL1448943,CHEMBL1459296,CHEMBL1461112,CHEMBL1461849,CHEMBL1462325,CHEMBL1471586,CHEMBL1476893,CHEMBL1481360,CHEMBL1481388,CHEMBL1483899,CHEMBL1484640,CHEMBL1485041,CHEMBL1485939,CHEMBL1486581,CHEMBL1487460,CHEMBL1488455,CHEMBL1489187,CHEMBL1491587,CHEMBL1497540,CHEMBL150,CHEMBL1501549,CHEMBL1503662,CHEMBL1506607,CHEMBL1506957,CHEMBL1509099,CHEMBL1509929,CHEMBL1510252,CHEMBL1516375,CHEMBL1518278,CHEMBL1520832,CHEMBL1527352,CHEMBL1529540,CHEMBL1533640,CHEMBL1535518,CHEMBL1536375,CHEMBL1537068,CHEMBL1541607,CHEMBL1542516,CHEMBL1544647,CHEMBL1545718,CHEMBL1545746,CHEMBL1551329,CHEMBL1554350,CHEMBL1557667,CHEMBL1561576,CHEMBL1567449,CHEMBL1569192,CHEMBL1576542,CHEMBL1577703,CHEMBL1577852,CHEMBL1578889,CHEMBL1579318,CHEMBL1584969,CHEMBL1596262,CHEMBL1598212,CHEMBL1600251,CHEMBL1600434,CHEMBL1601528,CHEMBL1605416,CHEMBL1613234,CHEMBL1964748,CHEMBL1975888,CHEMBL1979558,CHEMBL1991679,CHEMBL2004756,CHEMBL2006030,CHEMBL210104,CHEMBL211430,CHEMBL212581,CHEMBL213077,CHEMBL232148,CHEMBL244683,CHEMBL26138,CHEMBL26260,CHEMBL273442,CHEMBL295786,CHEMBL30327,CHEMBL31184,CHEMBL334374,CHEMBL334874,CHEMBL335558,CHEMBL336463,CHEMBL336698,CHEMBL337805,CHEMBL337817,CHEMBL341816,CHEMBL341968,CHEMBL342045,CHEMBL342648,CHEMBL342696,CHEMBL342717,CHEMBL343049,CHEMBL343494,CHEMBL343583,CHEMBL344161,CHEMBL344919,CHEMBL373834,CHEMBL377981,CHEMBL378198,CHEMBL379713,CHEMBL379858,CHEMBL400585,CHEMBL422101,CHEMBL430226,CHEMBL448245,CHEMBL490592,CHEMBL528199,CHEMBL532504,CHEMBL582980,CHEMBL585222,CHEMBL597452,CHEMBL599322,CHEMBL599338,CHEMBL599550,CHEMBL599551,CHEMBL599552,CHEMBL600169,CHEMBL611384}
@attribute FCFP4_1024b511 numeric
@attribute FCFP4_1024b327 numeric
@attribute FCFP4_1024b1 numeric
@attribute FCFP4_1024b450 numeric
@attribute FCFP4_1024b4 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 pXC50 numeric

@data
{3 1,5 1,39 1,52 5.423}
{0 CHEMBL1300615,3 1,5 1,39 1,52 5.656}
{0 CHEMBL1301047,3 1,5 1,19 1,39 1,43 1,52 5.261}
{0 CHEMBL1303116,3 1,5 1,30 1,52 5.129}
{0 CHEMBL1303938,3 1,5 1,39 1,52 5.111}
{0 CHEMBL1307677,3 1,5 1,39 1,52 5.189}
{0 CHEMBL1311023,3 1,52 5.946}
{0 CHEMBL1318995,3 1,5 1,39 1,52 5.755}
{0 CHEMBL1319352,3 1,22 1,28 1,42 1,52 5.322}
{0 CHEMBL1319897,3 1,5 1,39 1,52 4.597}
{0 CHEMBL1324157,3 1,5 1,39 1,52 4.961}
{0 CHEMBL1327628,3 1,5 1,39 1,52 5.947}
{0 CHEMBL1331513,3 1,5 1,52 5.552}
{0 CHEMBL1336615,3 1,5 1,39 1,52 5.291}
{0 CHEMBL1337776,3 1,5 1,11 1,30 1,36 1,52 5.447}
{0 CHEMBL1340000,3 1,30 1,52 5.265}
{0 CHEMBL134370,2 1,15 1,21 1,38 1,52 6.398}
{0 CHEMBL1344938,3 1,5 1,39 1,52 5.963}
{0 CHEMBL134683,2 1,13 1,15 1,21 1,52 6.456}
{0 CHEMBL1346834,3 1,5 1,39 1,52 5.803}
{0 CHEMBL135026,1 1,4 1,52 7.032}
{0 CHEMBL1351066,3 1,5 1,43 1,52 4.038}
{0 CHEMBL1351173,3 1,5 1,6 1,39 1,42 1,52 5.946}
{0 CHEMBL135555,1 1,4 1,52 7.81}
{0 CHEMBL136116,1 1,2 1,4 1,52 6.553}
{0 CHEMBL136129,2 1,52 5.301}
{0 CHEMBL136151,2 1,52 4.796}
{0 CHEMBL136184,1 1,2 1,4 1,52 6.658}
{0 CHEMBL136222,1 1,2 1,4 1,52 6.1}
{0 CHEMBL136335,1 1,2 1,4 1,52 7.149}
{0 CHEMBL136345,2 1,13 1,15 1,21 1,52 5.886}
{0 CHEMBL136430,1 1,2 1,4 1,52 8.83}
{0 CHEMBL136453,1 1,2 1,4 1,52 8.932}
{0 CHEMBL136461,52 5}
{0 CHEMBL136496,2 1,52 5.149}
{0 CHEMBL136570,2 1,13 1,21 1,52 5}
{0 CHEMBL136676,2 1,4 1,52 4.886}
{0 CHEMBL136710,2 1,15 1,52 7.387}
{0 CHEMBL136729,2 1,15 1,21 1,52 6.659}
{0 CHEMBL136782,2 1,13 1,21 1,52 7.169}
{0 CHEMBL136843,2 1,13 1,52 6.456}
{0 CHEMBL136844,2 1,15 1,52 6}
{0 CHEMBL136882,2 1,13 1,15 1,52 6.658}
{0 CHEMBL136889,2 1,13 1,21 1,52 5.081}
{0 CHEMBL1369106,3 1,5 1,30 1,39 1,52 5.921}
{0 CHEMBL1369293,3 1,5 1,39 1,52 5.733}
{0 CHEMBL136982,2 1,13 1,21 1,52 5.509}
{0 CHEMBL137055,1 1,2 1,4 1,52 8.699}
{0 CHEMBL137220,1 1,2 1,4 1,52 7.1}
{0 CHEMBL1372374,3 1,5 1,39 1,52 6.709}
{0 CHEMBL137264,2 1,52 5.041}
{0 CHEMBL137304,2 1,15 1,21 1,52 7.13}
{0 CHEMBL1373822,5 1,52 5.802}
{0 CHEMBL137408,1 1,2 1,4 1,52 9.35}
{0 CHEMBL137418,2 1,13 1,15 1,21 1,38 1,52 4.699}
{0 CHEMBL137477,2 1,52 6.699}
{0 CHEMBL1375468,3 1,5 1,28 1,35 1,39 1,52 5.437}
{0 CHEMBL137620,4 1,52 4}
{0 CHEMBL137662,2 1,52 4.85}
{0 CHEMBL137665,1 1,2 1,4 1,52 8.18}
{0 CHEMBL137799,2 1,52 4.553}
{0 CHEMBL137849,1 1,2 1,4 1,52 6.796}
{0 CHEMBL1379527,3 1,5 1,52 5.263}
{0 CHEMBL1379906,3 1,5 1,52 5.173}
{0 CHEMBL138121,13 1,15 1,21 1,38 1,52 5.36}
{0 CHEMBL138223,1 1,2 1,4 1,52 7.939}
{0 CHEMBL1382475,3 1,5 1,39 1,40 1,52 5.78}
{0 CHEMBL1383935,3 1,5 1,14 1,52 6.041}
{0 CHEMBL1383970,3 1,5 1,39 1,52 5.813}
{0 CHEMBL1386446,3 1,5 1,30 1,42 1,52 6.073}
{0 CHEMBL1387471,3 1,5 1,26 1,52 5.071}
{0 CHEMBL139202,2 1,52 4.004}
{0 CHEMBL139204,2 1,52 4.721}
{0 CHEMBL1392445,3 1,52 5.914}
{0 CHEMBL1393674,3 1,19 1,52 6.003}
{0 CHEMBL139414,1 1,4 1,52 6.53}
{0 CHEMBL139585,2 1,15 1,52 5.326}
{0 CHEMBL139588,15 1,52 4.377}
{0 CHEMBL1398824,3 1,31 1,40 1,51 1,52 5.468}
{0 CHEMBL1400961,3 1,5 1,39 1,52 5.947}
{0 CHEMBL1402878,3 1,5 1,39 1,52 5.311}
{0 CHEMBL1404230,3 1,5 1,39 1,52 5.403}
{0 CHEMBL1407509,3 1,5 1,25 1,30 1,52 5.469}
{0 CHEMBL1413196,3 1,5 1,38 1,39 1,52 6.015}
{0 CHEMBL1414242,3 1,5 1,39 1,52 5.551}
{0 CHEMBL1421125,3 1,8 1,52 5.918}
{0 CHEMBL1425667,39 1,52 5.829}
{0 CHEMBL1427162,3 1,5 1,39 1,52 5.282}
{0 CHEMBL1427854,3 1,5 1,39 1,52 5.231}
{0 CHEMBL1430231,3 1,5 1,30 1,52 6.455}
{0 CHEMBL1430347,3 1,31 1,52 5.549}
{0 CHEMBL1432238,3 1,52 5.46}
{0 CHEMBL14377,2 1,52 4.1}
{0 CHEMBL1445852,3 1,5 1,39 1,52 5.732}
{0 CHEMBL1448943,3 1,5 1,6 1,39 1,52 6.423}
{0 CHEMBL1459296,3 1,5 1,52 5.942}
{0 CHEMBL1461112,3 1,5 1,32 1,43 1,47 1,52 4.038}
{0 CHEMBL1461849,3 1,28 1,52 5.469}
{0 CHEMBL1462325,3 1,5 1,39 1,52 7.163}
{0 CHEMBL1471586,3 1,5 1,24 1,28 1,43 1,52 5.21}
{0 CHEMBL1476893,3 1,5 1,28 1,31 1,52 5.471}
{0 CHEMBL1481360,3 1,5 1,39 1,52 5.489}
{0 CHEMBL1481388,5 1,30 1,52 5.446}
{0 CHEMBL1483899,3 1,5 1,30 1,52 5.243}
{0 CHEMBL1484640,3 1,5 1,39 1,52 5.662}
{0 CHEMBL1485041,3 1,5 1,8 1,30 1,39 1,52 4.902}
{0 CHEMBL1485939,3 1,22 1,42 1,52 5.841}
{0 CHEMBL1486581,3 1,5 1,37 1,39 1,52 5.35}
{0 CHEMBL1487460,3 1,5 1,6 1,10 1,30 1,34 1,52 6.543}
{0 CHEMBL1488455,2 1,3 1,5 1,39 1,52 6.065}
{0 CHEMBL1489187,3 1,5 1,52 5.58}
{0 CHEMBL1491587,3 1,52 5.76}
{0 CHEMBL1497540,3 1,52 4.91}
{0 CHEMBL150,3 1,33 1,52 7.553}
{0 CHEMBL1501549,5 1,52 5.89}
{0 CHEMBL1503662,3 1,5 1,52 5.327}
{0 CHEMBL1506607,3 1,5 1,15 1,39 1,42 1,52 5.589}
{0 CHEMBL1506957,2 1,3 1,5 1,39 1,52 6.322}
{0 CHEMBL1509099,3 1,5 1,39 1,52 5.213}
{0 CHEMBL1509929,3 1,5 1,39 1,52 6.405}
{0 CHEMBL1510252,3 1,5 1,28 1,39 1,52 5.52}
{0 CHEMBL1516375,3 1,5 1,25 1,52 6.428}
{0 CHEMBL1518278,3 1,5 1,39 1,52 5.537}
{0 CHEMBL1520832,3 1,5 1,39 1,52 7.654}
{0 CHEMBL1527352,3 1,52 5.998}
{0 CHEMBL1529540,2 1,3 1,5 1,39 1,52 6.339}
{0 CHEMBL1533640,3 1,34 1,52 6.135}
{0 CHEMBL1535518,3 1,5 1,39 1,52 4.976}
{0 CHEMBL1536375,3 1,5 1,43 1,52 6.264}
{0 CHEMBL1537068,3 1,52 5.169}
{0 CHEMBL1541607,3 1,5 1,40 1,52 4.038}
{0 CHEMBL1542516,3 1,5 1,52 5.865}
{0 CHEMBL1544647,2 1,3 1,5 1,6 1,52 6.316}
{0 CHEMBL1545718,3 1,5 1,39 1,52 5.833}
{0 CHEMBL1545746,3 1,5 1,39 1,52 5.385}
{0 CHEMBL1551329,3 1,5 1,39 1,52 6.234}
{0 CHEMBL1554350,3 1,5 1,39 1,52 5.375}
{0 CHEMBL1557667,3 1,5 1,39 1,52 6.067}
{0 CHEMBL1561576,20 1,52 5.573}
{0 CHEMBL1567449,3 1,5 1,39 1,52 5.647}
{0 CHEMBL1569192,3 1,9 1,14 1,52 5.834}
{0 CHEMBL1576542,3 1,5 1,6 1,12 1,27 1,30 1,52 5.184}
{0 CHEMBL1577703,3 1,5 1,8 1,18 1,27 1,52 5.931}
{0 CHEMBL1577852,3 1,5 1,6 1,39 1,52 5.583}
{0 CHEMBL1578889,3 1,5 1,39 1,42 1,52 5.374}
{0 CHEMBL1579318,3 1,5 1,39 1,52 5.664}
{0 CHEMBL1584969,3 1,5 1,30 1,52 4.037}
{0 CHEMBL1596262,3 1,5 1,39 1,52 5.471}
{0 CHEMBL1598212,3 1,5 1,52 5.283}
{0 CHEMBL1600251,3 1,5 1,15 1,52 5.029}
{0 CHEMBL1600434,3 1,5 1,39 1,52 5.203}
{0 CHEMBL1601528,3 1,5 1,39 1,52 5.468}
{0 CHEMBL1605416,3 1,5 1,20 1,39 1,52 4.92}
{0 CHEMBL1613234,3 1,5 1,30 1,52 5.482}
{0 CHEMBL1964748,3 1,5 1,32 1,43 1,47 1,52 5.247}
{0 CHEMBL1975888,3 1,5 1,43 1,52 4.038}
{0 CHEMBL1979558,3 1,5 1,39 1,52 5.947}
{0 CHEMBL1991679,3 1,5 1,43 1,52 6.423}
{0 CHEMBL2004756,3 1,5 1,28 1,39 1,43 1,52 5.251}
{0 CHEMBL2006030,1 1,3 1,4 1,5 1,11 1,28 1,52 5.952}
{0 CHEMBL210104,3 1,6 1,11 1,13 1,30 1,35 1,52 4.726}
{0 CHEMBL211430,3 1,6 1,11 1,30 1,52 4.523}
{0 CHEMBL212581,3 1,6 1,11 1,30 1,52 4.602}
{0 CHEMBL213077,3 1,6 1,11 1,13 1,30 1,35 1,52 4.62}
{0 CHEMBL232148,3 1,5 1,31 1,52 6.625}
{0 CHEMBL244683,3 1,5 1,39 1,52 5.47}
{0 CHEMBL26138,3 1,52 5.476}
{0 CHEMBL26260,3 1,52 5.854}
{0 CHEMBL273442,2 1,52 5.387}
{0 CHEMBL295786,3 1,6 1,34 1,52 6.089}
{0 CHEMBL30327,1 1,2 1,4 1,52 8}
{0 CHEMBL31184,52 5.569}
{0 CHEMBL334374,2 1,15 1,21 1,38 1,52 6.699}
{0 CHEMBL334874,2 1,52 6.347}
{0 CHEMBL335558,2 1,15 1,52 7.82}
{0 CHEMBL336463,2 1,15 1,52 7.6}
{0 CHEMBL336698,1 1,2 1,4 1,52 5.959}
{0 CHEMBL337805,1 1,4 1,52 5.19}
{0 CHEMBL337817,15 1,21 1,38 1,52 4.07}
{0 CHEMBL341816,2 1,52 5.37}
{0 CHEMBL341968,1 1,2 1,4 1,52 8.824}
{0 CHEMBL342045,1 1,4 1,52 5.495}
{0 CHEMBL342648,2 1,15 1,21 1,38 1,52 6.699}
{0 CHEMBL342696,2 1,52 6.886}
{0 CHEMBL342717,2 1,15 1,21 1,52 6.638}
{0 CHEMBL343049,2 1,52 7.33}
{0 CHEMBL343494,2 1,15 1,21 1,52 6.569}
{0 CHEMBL343583,4 1,52 5.886}
{0 CHEMBL344161,2 1,52 6.149}
{0 CHEMBL344919,21 1,52 6.921}
{0 CHEMBL373834,30 1,52 4.699}
{0 CHEMBL377981,3 1,6 1,11 1,13 1,30 1,35 1,52 4.886}
{0 CHEMBL378198,3 1,6 1,11 1,30 1,52 4.523}
{0 CHEMBL379713,3 1,5 1,6 1,11 1,30 1,52 5.268}
{0 CHEMBL379858,3 1,5 1,6 1,11 1,30 1,52 5.284}
{0 CHEMBL400585,3 1,42 1,52 5.317}
{0 CHEMBL422101,1 1,2 1,4 1,52 7.77}
{0 CHEMBL430226,3 1,11 1,30 1,52 6.796}
{0 CHEMBL448245,3 1,5 1,8 1,39 1,52 5.744}
{0 CHEMBL490592,5 1,52 4.992}
{0 CHEMBL528199,3 1,5 1,28 1,43 1,52 6.423}
{0 CHEMBL532504,3 1,5 1,6 1,25 1,39 1,52 4.917}
{0 CHEMBL582980,3 1,5 1,28 1,43 1,52 5.946}
{0 CHEMBL585222,3 1,5 1,28 1,35 1,43 1,52 5.461}
{0 CHEMBL597452,3 1,5 1,52 6.933}
{0 CHEMBL599322,3 1,52 5}
{0 CHEMBL599338,3 1,52 6.481}
{0 CHEMBL599550,3 1,52 6.569}
{0 CHEMBL599551,3 1,52 6.347}
{0 CHEMBL599552,3 1,52 5.77}
{0 CHEMBL600169,3 1,52 6.699}
{0 CHEMBL611384,3 1,52 5}