@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4903 @attribute molecule_id {CHEMBL104663,CHEMBL1081579,CHEMBL119506,CHEMBL1256028,CHEMBL1299327,CHEMBL1299479,CHEMBL1300209,CHEMBL1300821,CHEMBL1304218,CHEMBL1306645,CHEMBL1307301,CHEMBL1308749,CHEMBL1309207,CHEMBL1309702,CHEMBL1310476,CHEMBL1310632,CHEMBL1319332,CHEMBL1321124,CHEMBL1321320,CHEMBL1323064,CHEMBL1324382,CHEMBL1326408,CHEMBL1329336,CHEMBL1329781,CHEMBL1332984,CHEMBL1334230,CHEMBL1334387,CHEMBL1337952,CHEMBL1338339,CHEMBL1340587,CHEMBL1343364,CHEMBL1344422,CHEMBL1345238,CHEMBL1345328,CHEMBL1347567,CHEMBL1348645,CHEMBL1349128,CHEMBL1350643,CHEMBL1352121,CHEMBL1353170,CHEMBL1353379,CHEMBL1355495,CHEMBL1357442,CHEMBL1361612,CHEMBL1363835,CHEMBL1364192,CHEMBL1364528,CHEMBL1364708,CHEMBL1369623,CHEMBL1373331,CHEMBL1374123,CHEMBL1378410,CHEMBL1378869,CHEMBL1379316,CHEMBL1379603,CHEMBL1383031,CHEMBL1384935,CHEMBL1385314,CHEMBL1386013,CHEMBL1387133,CHEMBL1387597,CHEMBL1387835,CHEMBL1388604,CHEMBL1388790,CHEMBL1388845,CHEMBL1389592,CHEMBL1395204,CHEMBL1398128,CHEMBL1399711,CHEMBL1399731,CHEMBL1399850,CHEMBL1400473,CHEMBL1401926,CHEMBL1405311,CHEMBL1410286,CHEMBL1414679,CHEMBL1415818,CHEMBL1417141,CHEMBL1418468,CHEMBL1421749,CHEMBL1424189,CHEMBL1425797,CHEMBL1427302,CHEMBL1427638,CHEMBL1427970,CHEMBL1431878,CHEMBL1432966,CHEMBL1436698,CHEMBL1438434,CHEMBL1438962,CHEMBL1439608,CHEMBL1439815,CHEMBL1440047,CHEMBL1440410,CHEMBL1441888,CHEMBL1446643,CHEMBL1446754,CHEMBL1446817,CHEMBL1448178,CHEMBL1448800,CHEMBL1449037,CHEMBL1453460,CHEMBL1453830,CHEMBL1453834,CHEMBL1454144,CHEMBL1454608,CHEMBL1456284,CHEMBL1458120,CHEMBL1458995,CHEMBL1459234,CHEMBL1463926,CHEMBL1464731,CHEMBL1465051,CHEMBL1465777,CHEMBL1467623,CHEMBL1467625,CHEMBL1469318,CHEMBL1471193,CHEMBL1471360,CHEMBL1471450,CHEMBL1471706,CHEMBL1477924,CHEMBL1478460,CHEMBL1480723,CHEMBL1481342,CHEMBL1481701,CHEMBL1481942,CHEMBL1482500,CHEMBL1484026,CHEMBL1485402,CHEMBL1487137,CHEMBL1488371,CHEMBL1488549,CHEMBL1491441,CHEMBL1492986,CHEMBL1497605,CHEMBL1499658,CHEMBL1500072,CHEMBL1500223,CHEMBL1500912,CHEMBL1501349,CHEMBL1505275,CHEMBL1505757,CHEMBL1506938,CHEMBL1507430,CHEMBL1509369,CHEMBL1509401,CHEMBL1509698,CHEMBL1514617,CHEMBL1519657,CHEMBL1519773,CHEMBL1520282,CHEMBL1520830,CHEMBL1521691,CHEMBL1523604,CHEMBL1526272,CHEMBL1527017,CHEMBL1528973,CHEMBL1530825,CHEMBL1533502,CHEMBL1535609,CHEMBL1538387,CHEMBL1539432,CHEMBL1540637,CHEMBL1541965,CHEMBL1542790,CHEMBL1543205,CHEMBL1543276,CHEMBL1543802,CHEMBL1544839,CHEMBL1545204,CHEMBL1546095,CHEMBL1546584,CHEMBL1549161,CHEMBL1549928,CHEMBL1557319,CHEMBL1559061,CHEMBL1560128,CHEMBL1560982,CHEMBL1566848,CHEMBL1568683,CHEMBL1569872,CHEMBL1570262,CHEMBL1572884,CHEMBL1573044,CHEMBL1574202,CHEMBL1575413,CHEMBL1576087,CHEMBL1578220,CHEMBL1578894,CHEMBL1579933,CHEMBL1580318,CHEMBL1581182,CHEMBL1583010,CHEMBL1584869,CHEMBL1585318,CHEMBL1585997,CHEMBL1587145,CHEMBL1593107,CHEMBL1596550,CHEMBL1599652,CHEMBL1608264,CHEMBL1609243,CHEMBL1609429,CHEMBL1610217,CHEMBL1611688,CHEMBL168,CHEMBL169,CHEMBL1698357,CHEMBL1700727,CHEMBL1704182,CHEMBL1708738,CHEMBL1709814,CHEMBL1710150,CHEMBL1713374,CHEMBL1715630,CHEMBL1717611,CHEMBL1718766,CHEMBL1721448,CHEMBL1721683,CHEMBL1723698,CHEMBL1733652,CHEMBL1735369,CHEMBL1765349,CHEMBL1800273,CHEMBL1863716,CHEMBL1866646,CHEMBL1871319,CHEMBL1871416,CHEMBL1873047,CHEMBL1873454,CHEMBL1882193,CHEMBL1883011,CHEMBL1888755,CHEMBL1892250,CHEMBL1893341,CHEMBL1893949,CHEMBL1894559,CHEMBL1896999,CHEMBL1898589,CHEMBL1898733,CHEMBL195166,CHEMBL1966366,CHEMBL1966700,CHEMBL1966746,CHEMBL1966773,CHEMBL1971404,CHEMBL1983083,CHEMBL1985091,CHEMBL1985696,CHEMBL1987136,CHEMBL1988376,CHEMBL1992564,CHEMBL1993711,CHEMBL1996136,CHEMBL1996666,CHEMBL1997392,CHEMBL2000154,CHEMBL2004226,CHEMBL2005181,CHEMBL2011698,CHEMBL2011699,CHEMBL2011700,CHEMBL2011701,CHEMBL2011702,CHEMBL2011703,CHEMBL2011704,CHEMBL2011705,CHEMBL2011706,CHEMBL2011707,CHEMBL204337,CHEMBL2103996,CHEMBL2132017,CHEMBL2132983,CHEMBL2133819,CHEMBL213452,CHEMBL2134784,CHEMBL2135158,CHEMBL2135409,CHEMBL2136382,CHEMBL2137636,CHEMBL2138402,CHEMBL2142086,CHEMBL2142851,CHEMBL2142879,CHEMBL2143308,CHEMBL2144867,CHEMBL2158214,CHEMBL2159725,CHEMBL2159726,CHEMBL2159928,CHEMBL2159929,CHEMBL2159930,CHEMBL2159931,CHEMBL2159932,CHEMBL2159933,CHEMBL2159934,CHEMBL226187,CHEMBL2316902,CHEMBL2316906,CHEMBL2316907,CHEMBL235372,CHEMBL235595,CHEMBL235596,CHEMBL235804,CHEMBL235805,CHEMBL236024,CHEMBL258844,CHEMBL291693,CHEMBL299045,CHEMBL36,CHEMBL378423,CHEMBL385251,CHEMBL393606,CHEMBL397791,CHEMBL420539,CHEMBL462314,CHEMBL463665,CHEMBL472646,CHEMBL476249,CHEMBL476664,CHEMBL476666,CHEMBL476669,CHEMBL477262,CHEMBL477263,CHEMBL478274,CHEMBL478312,CHEMBL492707,CHEMBL492708,CHEMBL492717,CHEMBL493122,CHEMBL494537,CHEMBL494735,CHEMBL495142,CHEMBL514239,CHEMBL514517,CHEMBL514711,CHEMBL515146,CHEMBL521821,CHEMBL523885,CHEMBL528734,CHEMBL531269,CHEMBL532,CHEMBL546597,CHEMBL567829,CHEMBL574779,CHEMBL590043,CHEMBL602561,CHEMBL75913,CHEMBL927} @attribute FCFP4_1024b519 numeric @attribute FCFP4_1024b1010 numeric @attribute FCFP4_1024b530 numeric @attribute FCFP4_1024b863 numeric @attribute FCFP4_1024b634 numeric @attribute FCFP4_1024b93 numeric @attribute FCFP4_1024b171 numeric @attribute FCFP4_1024b21 numeric @attribute FCFP4_1024b776 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_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 pXC50 numeric @data {10 1,43 1,52 4.171} {0 CHEMBL1081579,9 1,10 1,17 1,43 1,52 4.83} {0 CHEMBL119506,10 1,43 1,46 1,52 4.097} {0 CHEMBL1256028,10 1,11 1,34 1,43 1,46 1,47 1,52 4.097} {0 CHEMBL1299327,10 1,11 1,34 1,43 1,52 4.097} {0 CHEMBL1299479,9 1,10 1,52 4.451} {0 CHEMBL1300209,10 1,11 1,34 1,52 4.599} {0 CHEMBL1300821,6 1,10 1,43 1,44 1,52 4.331} {0 CHEMBL1304218,10 1,19 1,52 4.368} {0 CHEMBL1306645,10 1,11 1,43 1,52 4.201} {0 CHEMBL1307301,2 1,5 1,10 1,32 1,33 1,52 4.676} {0 CHEMBL1308749,10 1,11 1,43 1,52 4.097} {0 CHEMBL1309207,10 1,33 1,52 4.097} {0 CHEMBL1309702,10 1,33 1,52 4.097} {0 CHEMBL1310476,10 1,11 1,43 1,52 4.097} {0 CHEMBL1310632,10 1,33 1,52 4.097} {0 CHEMBL1319332,10 1,16 1,43 1,52 4.375} {0 CHEMBL1321124,10 1,24 1,42 1,52 4.388} {0 CHEMBL1321320,10 1,44 1,52 4.097} {0 CHEMBL1323064,10 1,43 1,52 4.341} {0 CHEMBL1324382,2 1,5 1,10 1,32 1,52 4.097} {0 CHEMBL1326408,10 1,52 4.097} {0 CHEMBL1329336,10 1,33 1,52 4.097} {0 CHEMBL1329781,10 1,43 1,46 1,52 4.097} {0 CHEMBL1332984,5 1,10 1,29 1,52 4.277} {0 CHEMBL1334230,10 1,52 4.097} {0 CHEMBL1334387,7 1,10 1,11 1,43 1,52 4.331} {0 CHEMBL1337952,10 1,52 4.421} {0 CHEMBL1338339,10 1,25 1,52 4.312} {0 CHEMBL1340587,10 1,25 1,32 1,52 4.097} {0 CHEMBL1343364,10 1,43 1,52 4.097} {0 CHEMBL1344422,10 1,11 1,52 4.203} {0 CHEMBL1345238,10 1,11 1,43 1,47 1,52 4.097} {0 CHEMBL1345328,52 4.097} {0 CHEMBL1347567,10 1,12 1,52 4.204} {0 CHEMBL1348645,10 1,11 1,29 1,35 1,52 4.097} {0 CHEMBL1349128,2 1,5 1,10 1,43 1,46 1,52 4.523} {0 CHEMBL1350643,10 1,34 1,52 4.335} {0 CHEMBL1352121,10 1,52 4.097} {0 CHEMBL1353170,10 1,33 1,52 4.097} {0 CHEMBL1353379,10 1,52 4.495} {0 CHEMBL1355495,3 1,10 1,18 1,44 1,52 4.097} {0 CHEMBL1357442,3 1,10 1,24 1,52 4.097} {0 CHEMBL1361612,10 1,52 4.097} {0 CHEMBL1363835,10 1,43 1,46 1,52 4.64} {0 CHEMBL1364192,10 1,43 1,52 4.555} {0 CHEMBL1364528,10 1,43 1,46 1,52 4.097} {0 CHEMBL1364708,10 1,52 4.618} {0 CHEMBL1369623,10 1,52 4.644} {0 CHEMBL1373331,7 1,10 1,52 4.097} {0 CHEMBL1374123,7 1,10 1,52 4.097} {0 CHEMBL1378410,7 1,10 1,32 1,34 1,47 1,52 4.342} {0 CHEMBL1378869,10 1,52 4.097} {0 CHEMBL1379316,10 1,43 1,46 1,52 4.57} {0 CHEMBL1379603,10 1,11 1,43 1,47 1,52 4.332} {0 CHEMBL1383031,10 1,52 4.262} {0 CHEMBL1384935,10 1,33 1,52 4.097} {0 CHEMBL1385314,10 1,43 1,52 4.097} {0 CHEMBL1386013,7 1,10 1,48 1,52 4.253} {0 CHEMBL1387133,10 1,52 4.097} {0 CHEMBL1387597,10 1,43 1,52 4.097} {0 CHEMBL1387835,10 1,16 1,28 1,52 4.097} {0 CHEMBL1388604,10 1,43 1,52 4.097} {0 CHEMBL1388790,10 1,25 1,52 4.097} {0 CHEMBL1388845,10 1,32 1,33 1,52 4.097} {0 CHEMBL1389592,10 1,11 1,43 1,46 1,52 4.429} {0 CHEMBL1395204,2 1,5 1,10 1,46 1,52 4.097} {0 CHEMBL1398128,10 1,16 1,43 1,52 4.097} {0 CHEMBL1399711,10 1,52 4.097} {0 CHEMBL1399731,10 1,33 1,43 1,52 4.097} {0 CHEMBL1399850,10 1,43 1,46 1,52 4.409} {0 CHEMBL1400473,10 1,43 1,46 1,52 4.636} {0 CHEMBL1401926,10 1,43 1,46 1,52 4.097} {0 CHEMBL1405311,3 1,10 1,35 1,52 4.29} {0 CHEMBL1410286,10 1,11 1,43 1,52 4.315} {0 CHEMBL1414679,3 1,10 1,52 4.097} {0 CHEMBL1415818,10 1,43 1,52 4.097} {0 CHEMBL1417141,10 1,41 1,52 4.097} {0 CHEMBL1418468,10 1,11 1,36 1,51 1,52 4.17} {0 CHEMBL1421749,10 1,32 1,47 1,52 4.097} {0 CHEMBL1424189,3 1,10 1,52 4.097} {0 CHEMBL1425797,10 1,52 4.097} {0 CHEMBL1427302,10 1,25 1,43 1,44 1,46 1,52 4.097} {0 CHEMBL1427638,10 1,11 1,15 1,35 1,46 1,52 4.369} {0 CHEMBL1427970,7 1,10 1,20 1,43 1,52 4.097} {0 CHEMBL1431878,10 1,43 1,52 4.244} {0 CHEMBL1432966,10 1,17 1,52 4.311} {0 CHEMBL1436698,10 1,52 4.097} {0 CHEMBL1438434,10 1,11 1,48 1,52 4.276} {0 CHEMBL1438962,10 1,43 1,46 1,52 4.097} {0 CHEMBL1439608,10 1,43 1,46 1,52 4.676} {0 CHEMBL1439815,10 1,29 1,52 4.291} {0 CHEMBL1440047,10 1,11 1,43 1,52 4.224} {0 CHEMBL1440410,10 1,52 4.097} {0 CHEMBL1441888,10 1,33 1,52 4.315} {0 CHEMBL1446643,3 1,10 1,52 4.676} {0 CHEMBL1446754,10 1,43 1,52 4.097} {0 CHEMBL1446817,2 1,3 1,5 1,10 1,43 1,52 4.097} {0 CHEMBL1448178,24 1,52 4.097} {0 CHEMBL1448800,10 1,33 1,52 4.097} {0 CHEMBL1449037,10 1,43 1,46 1,52 4.609} {0 CHEMBL1453460,10 1,16 1,20 1,52 4.097} {0 CHEMBL1453830,2 1,5 1,10 1,43 1,46 1,52 4.415} {0 CHEMBL1453834,10 1,43 1,46 1,52 4.097} {0 CHEMBL1454144,10 1,11 1,43 1,52 4.097} {0 CHEMBL1454608,10 1,43 1,46 1,52 4.199} {0 CHEMBL1456284,10 1,34 1,52 4.32} {0 CHEMBL1458120,10 1,52 4.181} {0 CHEMBL1458995,2 1,5 1,10 1,43 1,52 4.367} {0 CHEMBL1459234,10 1,52 4.097} {0 CHEMBL1463926,10 1,34 1,52 4.097} {0 CHEMBL1464731,10 1,33 1,52 4.097} {0 CHEMBL1465051,10 1,33 1,52 4.097} {0 CHEMBL1465777,10 1,52 4.097} {0 CHEMBL1467623,10 1,41 1,47 1,52 4.604} {0 CHEMBL1467625,10 1,43 1,46 1,52 4.097} {0 CHEMBL1469318,10 1,43 1,44 1,52 4.097} {0 CHEMBL1471193,10 1,52 4.19} {0 CHEMBL1471360,10 1,19 1,52 4.156} {0 CHEMBL1471450,10 1,31 1,34 1,39 1,52 4.097} {0 CHEMBL1471706,10 1,11 1,22 1,43 1,52 4.097} {0 CHEMBL1477924,10 1,11 1,43 1,46 1,52 4.481} {0 CHEMBL1478460,10 1,33 1,52 4.097} {0 CHEMBL1480723,10 1,52 4.097} {0 CHEMBL1481342,10 1,52 4.576} {0 CHEMBL1481701,10 1,24 1,43 1,46 1,52 4.097} {0 CHEMBL1481942,10 1,33 1,52 4.097} {0 CHEMBL1482500,10 1,33 1,52 4.097} {0 CHEMBL1484026,10 1,11 1,34 1,52 4.134} {0 CHEMBL1485402,10 1,32 1,52 4.097} {0 CHEMBL1487137,10 1,11 1,43 1,46 1,52 4.513} {0 CHEMBL1488371,10 1,24 1,43 1,52 4.306} {0 CHEMBL1488549,10 1,11 1,22 1,43 1,52 4.097} {0 CHEMBL1491441,10 1,16 1,19 1,34 1,40 1,46 1,52 4.097} {0 CHEMBL1492986,3 1,10 1,18 1,52 4.097} {0 CHEMBL1497605,10 1,52 4.124} {0 CHEMBL1499658,10 1,52 4.186} {0 CHEMBL1500072,10 1,43 1,44 1,52 4.345} {0 CHEMBL1500223,10 1,43 1,46 1,52 4.367} {0 CHEMBL1500912,10 1,46 1,52 4.097} {0 CHEMBL1501349,10 1,43 1,44 1,52 4.097} {0 CHEMBL1505275,10 1,33 1,43 1,52 4.115} {0 CHEMBL1505757,10 1,31 1,34 1,52 4.097} {0 CHEMBL1506938,10 1,34 1,52 4.097} {0 CHEMBL1507430,10 1,52 4.433} {0 CHEMBL1509369,10 1,52 4.233} {0 CHEMBL1509401,10 1,32 1,47 1,52 4.401} {0 CHEMBL1509698,10 1,52 4.545} {0 CHEMBL1514617,10 1,43 1,47 1,52 4.097} {0 CHEMBL1519657,10 1,43 1,52 4.097} {0 CHEMBL1519773,2 1,10 1,11 1,26 1,34 1,52 4.197} {0 CHEMBL1520282,10 1,43 1,52 4.097} {0 CHEMBL1520830,10 1,46 1,52 4.097} {0 CHEMBL1521691,7 1,10 1,52 4.238} {0 CHEMBL1523604,10 1,32 1,47 1,52 4.097} {0 CHEMBL1526272,10 1,43 1,52 4.097} {0 CHEMBL1527017,10 1,52 4.097} {0 CHEMBL1528973,10 1,11 1,15 1,43 1,46 1,52 4.646} {0 CHEMBL1530825,2 1,5 1,10 1,29 1,43 1,52 4.097} {0 CHEMBL1533502,10 1,31 1,34 1,39 1,52 4.39} {0 CHEMBL1535609,10 1,52 4.258} {0 CHEMBL1538387,2 1,5 1,7 1,10 1,11 1,43 1,52 4.479} {0 CHEMBL1539432,7 1,10 1,52 4.322} {0 CHEMBL1540637,10 1,11 1,43 1,52 4.341} {0 CHEMBL1541965,10 1,33 1,52 4.097} {0 CHEMBL1542790,10 1,43 1,52 4.385} {0 CHEMBL1543205,10 1,52 4.344} {0 CHEMBL1543276,10 1,52 4.252} {0 CHEMBL1543802,10 1,43 1,46 1,52 4.097} {0 CHEMBL1544839,10 1,20 1,52 4.097} {0 CHEMBL1545204,3 1,10 1,19 1,29 1,32 1,52 4.097} {0 CHEMBL1546095,10 1,43 1,46 1,52 4.616} {0 CHEMBL1546584,10 1,20 1,43 1,46 1,52 4.097} {0 CHEMBL1549161,5 1,10 1,32 1,52 4.558} {0 CHEMBL1549928,10 1,11 1,26 1,52 4.097} {0 CHEMBL1557319,10 1,34 1,52 4.097} {0 CHEMBL1559061,10 1,35 1,43 1,52 4.36} {0 CHEMBL1560128,2 1,10 1,52 4.097} {0 CHEMBL1560982,10 1,33 1,43 1,52 4.117} {0 CHEMBL1566848,10 1,32 1,34 1,47 1,52 4.097} {0 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