@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1741213 @attribute molecule_id {CHEMBL108660,CHEMBL1165723,CHEMBL1299467,CHEMBL1300177,CHEMBL1301037,CHEMBL1301243,CHEMBL1301421,CHEMBL1302524,CHEMBL1302779,CHEMBL1303887,CHEMBL1304004,CHEMBL1304247,CHEMBL1304597,CHEMBL1305329,CHEMBL1306211,CHEMBL1306742,CHEMBL1306782,CHEMBL1307207,CHEMBL1307406,CHEMBL1307513,CHEMBL1308385,CHEMBL1309184,CHEMBL1309254,CHEMBL1309678,CHEMBL1309946,CHEMBL1311271,CHEMBL1312259,CHEMBL1312888,CHEMBL1313107,CHEMBL1313312,CHEMBL1313386,CHEMBL1313683,CHEMBL1314088,CHEMBL1314677,CHEMBL1315825,CHEMBL1316867,CHEMBL1317122,CHEMBL1318212,CHEMBL1319034,CHEMBL1319104,CHEMBL1319405,CHEMBL1319534,CHEMBL1319768,CHEMBL1320578,CHEMBL1321156,CHEMBL1321391,CHEMBL1321659,CHEMBL1322261,CHEMBL1322449,CHEMBL1322521,CHEMBL1322834,CHEMBL1322894,CHEMBL1322948,CHEMBL1323510,CHEMBL1323994,CHEMBL1324155,CHEMBL1325516,CHEMBL1326133,CHEMBL1327265,CHEMBL1328084,CHEMBL1328552,CHEMBL1328930,CHEMBL1329140,CHEMBL1329446,CHEMBL1329906,CHEMBL1332602,CHEMBL1332928,CHEMBL1333044,CHEMBL1333222,CHEMBL1333579,CHEMBL1336046,CHEMBL1336070,CHEMBL1336811,CHEMBL1336877,CHEMBL1337075,CHEMBL1337752,CHEMBL1338489,CHEMBL1338502,CHEMBL1339228,CHEMBL1340332,CHEMBL1341119,CHEMBL1341243,CHEMBL1341819,CHEMBL1342248,CHEMBL1342287,CHEMBL1342479,CHEMBL1342859,CHEMBL1342873,CHEMBL1342938,CHEMBL1343309,CHEMBL1343697,CHEMBL1344555,CHEMBL1345096,CHEMBL1348022,CHEMBL1348741,CHEMBL1349632,CHEMBL1349748,CHEMBL1349994,CHEMBL1351535,CHEMBL1351708,CHEMBL1352220,CHEMBL1352443,CHEMBL1352627,CHEMBL1353712,CHEMBL1354548,CHEMBL1354728,CHEMBL1354754,CHEMBL1355260,CHEMBL1355280,CHEMBL1356235,CHEMBL1360419,CHEMBL1361268,CHEMBL1361392,CHEMBL1361810,CHEMBL1363615,CHEMBL1364648,CHEMBL1364988,CHEMBL1365104,CHEMBL1365257,CHEMBL1365260,CHEMBL1365469,CHEMBL1365705,CHEMBL1367028,CHEMBL1367313,CHEMBL1369984,CHEMBL1370387,CHEMBL1370991,CHEMBL1371005,CHEMBL1371119,CHEMBL1371275,CHEMBL1372256,CHEMBL1372296,CHEMBL1372464,CHEMBL1372677,CHEMBL1373107,CHEMBL1373577,CHEMBL1373594,CHEMBL1374950,CHEMBL1375292,CHEMBL1376540,CHEMBL1376622,CHEMBL1376949,CHEMBL1377488,CHEMBL1378513,CHEMBL1378542,CHEMBL1378634,CHEMBL1379026,CHEMBL1379048,CHEMBL1379054,CHEMBL1379448,CHEMBL1379892,CHEMBL1379918,CHEMBL1379920,CHEMBL1380030,CHEMBL1380540,CHEMBL1380580,CHEMBL1381190,CHEMBL1381205,CHEMBL1381216,CHEMBL1381587,CHEMBL1381872,CHEMBL1382027,CHEMBL1383632,CHEMBL1384143,CHEMBL1384146,CHEMBL1385557,CHEMBL1385791,CHEMBL1386384,CHEMBL1386457,CHEMBL1386921,CHEMBL1386967,CHEMBL1387142,CHEMBL1387558,CHEMBL1387710,CHEMBL1387749,CHEMBL1389299,CHEMBL1389725,CHEMBL1389833,CHEMBL1390831,CHEMBL1391158,CHEMBL1392424,CHEMBL1392564,CHEMBL1392754,CHEMBL1392845,CHEMBL1392911,CHEMBL1393294,CHEMBL1393780,CHEMBL1394969,CHEMBL1394975,CHEMBL1395201,CHEMBL1395570,CHEMBL1395615,CHEMBL1397706,CHEMBL1398171,CHEMBL1398836,CHEMBL1399770,CHEMBL1400093,CHEMBL1401768,CHEMBL1402386,CHEMBL1402456,CHEMBL1402712,CHEMBL1403154,CHEMBL1404207,CHEMBL1404312,CHEMBL1404762,CHEMBL1405100,CHEMBL1405247,CHEMBL1405401,CHEMBL1405521,CHEMBL1405940,CHEMBL1406151,CHEMBL1407136,CHEMBL1407802,CHEMBL1407928,CHEMBL1408066,CHEMBL1408298,CHEMBL1408395,CHEMBL1408676,CHEMBL1408715,CHEMBL1408859,CHEMBL1408953,CHEMBL1409038,CHEMBL1409039,CHEMBL1409277,CHEMBL1409773,CHEMBL1410437,CHEMBL1411203,CHEMBL1412015,CHEMBL1412585,CHEMBL1412597,CHEMBL1412627,CHEMBL1412678,CHEMBL1412738,CHEMBL1413278,CHEMBL1413787,CHEMBL1414729,CHEMBL1414754,CHEMBL1415156,CHEMBL1416561,CHEMBL1417023,CHEMBL1417815,CHEMBL1418096,CHEMBL1419554,CHEMBL1421255,CHEMBL1421263,CHEMBL1421345,CHEMBL1421351,CHEMBL1421377,CHEMBL1421460,CHEMBL1422056,CHEMBL1422087,CHEMBL1423071,CHEMBL1423084,CHEMBL1424024,CHEMBL1424355,CHEMBL1424491,CHEMBL1425035,CHEMBL1425406,CHEMBL1425795,CHEMBL1426042,CHEMBL1426222,CHEMBL1426522,CHEMBL1426692,CHEMBL1426828,CHEMBL1426867,CHEMBL1427194,CHEMBL1427637,CHEMBL1427898,CHEMBL1427991,CHEMBL1428103,CHEMBL1428614,CHEMBL1428684,CHEMBL1429068,CHEMBL1429243,CHEMBL1429870,CHEMBL1430214,CHEMBL1431202,CHEMBL1431732,CHEMBL1431832,CHEMBL1432027,CHEMBL1432044,CHEMBL1432131,CHEMBL1432218,CHEMBL1432894,CHEMBL1434792,CHEMBL1435486,CHEMBL1437840,CHEMBL1438627,CHEMBL1438722,CHEMBL1439396,CHEMBL1439751,CHEMBL1440488,CHEMBL1440766,CHEMBL1441150,CHEMBL1441265,CHEMBL1443965,CHEMBL1444349,CHEMBL1445676,CHEMBL1446989,CHEMBL1447078,CHEMBL1447111,CHEMBL1447460,CHEMBL1447830,CHEMBL1449493,CHEMBL1449597,CHEMBL1449672,CHEMBL1449923,CHEMBL1450897,CHEMBL1451359,CHEMBL1452003,CHEMBL1453498,CHEMBL1454837,CHEMBL1456397,CHEMBL1457057,CHEMBL1457165,CHEMBL1457356,CHEMBL1458321,CHEMBL1458444,CHEMBL145850,CHEMBL1459215,CHEMBL1459463,CHEMBL1460126,CHEMBL1460250,CHEMBL1460321,CHEMBL1460564,CHEMBL1461427,CHEMBL1462107,CHEMBL1462381,CHEMBL1462406,CHEMBL1462691,CHEMBL1463363,CHEMBL1463739,CHEMBL1463829,CHEMBL1463989,CHEMBL1464550,CHEMBL1464764,CHEMBL1464949,CHEMBL1465293,CHEMBL1465850,CHEMBL1465938,CHEMBL1466087,CHEMBL1467987,CHEMBL1468256,CHEMBL1468761,CHEMBL1468876,CHEMBL1469091,CHEMBL1469807,CHEMBL1469986,CHEMBL1470135,CHEMBL1470146,CHEMBL1470493,CHEMBL1471358,CHEMBL1471498,CHEMBL1471717,CHEMBL1472212,CHEMBL1472308,CHEMBL1472925,CHE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@attribute D.Dtr09 numeric @attribute Eig11_AEA.bo. numeric @attribute Xindex numeric @attribute Eig08_AEA.bo. numeric @attribute Vindex numeric @attribute Eig08_EA numeric @attribute SM02_AEA.dm. numeric @attribute SpMax5_Bh.m. numeric @attribute Eig08_EA.ed. numeric @attribute SM03_AEA.ri. numeric @attribute Eig08_AEA.ed. numeric @attribute Eig08_AEA.ri. numeric @attribute RDCHI numeric @attribute Eig08_EA.ri. numeric @attribute Eig10_AEA.bo. numeric @attribute Eig11_EA.bo. numeric @attribute Yindex numeric @attribute Eig11_AEA.ri. numeric @attribute SpMax5_Bh.p. numeric @attribute SpMax5_Bh.v. numeric @attribute Eig07_EA numeric @attribute SM15_AEA.bo. numeric @attribute GMTIV numeric @attribute Eig02_EA numeric @attribute SM10_AEA.bo. numeric @attribute SMTIV numeric @attribute Eig07_AEA.ri. numeric @attribute X1v numeric @attribute Eig08_EA.bo. numeric @attribute GMTI numeric @attribute Wap numeric @attribute ATS2p numeric @attribute CSI numeric @attribute SpAD_EA.bo. numeric @attribute ATS1p numeric @attribute ATSC3i numeric @attribute SpMax5_Bh.i. numeric @attribute ATS2v numeric @attribute Eig13_EA.ed. numeric @attribute SM08_AEA.ri. numeric @attribute piID numeric @attribute SpAD_AEA.dm. numeric @attribute SpMaxA_AEA.ri. numeric @attribute LPRS numeric @attribute SMTI numeric @attribute X0v numeric @attribute Eig09_AEA.bo. numeric @attribute SpAD_EA.ri. numeric @attribute Eig06_EA.ri. numeric @attribute ATSC4i numeric @attribute X2sol numeric @attribute Eig09_AEA.ri. numeric @attribute X1sol numeric @attribute Eig10_EA.bo. numeric @attribute piPC01 numeric @attribute SCBO numeric @attribute Eig11_AEA.ed. numeric @attribute Eig13_EA.bo. numeric @attribute MWC04 numeric @attribute Psi_i_1 numeric @attribute ECC numeric @attribute SpAD_EA.ed. numeric @attribute piPC02 numeric @attribute SM02_EA.bo. numeric @attribute SpMax4_Bh.v. numeric @attribute MSD numeric @attribute SpMin4_Bh.p. numeric @attribute Eig09_EA.ri. numeric @attribute ZM2V numeric @attribute pXC50 numeric @data {2 0.977,3 0.361,4 2.5,5 0.23,6 1,7 1,8 3.008,9 2.136,10 2.136,11 3.247,12 2,13 3.336,14 1,15 1.317,16 -0.354,17 0.629,18 0.661,19 2.879,20 2.91,21 1.119,22 1.119,23 11002,24 2.564,25 2.564,26 6555,27 2.115,28 6.435,29 1.5,30 4058,31 6718,32 3.585,33 383,34 43.4,35 3.243,36 0.779,37 3.177,38 3.562,39 -1.781,40 -1.781,41 9.319,42 33.798,43 0.184,44 89.244,45 3910,46 11.128,47 1.859,48 31.409,49 1.475,50 0.811,51 8.738,52 1.536,53 9.72,54 -0.118,55 3.434,56 30,57 2.555,58 -1.024,59 6.347,60 11.233,61 177,62 90.046,63 4.007,64 4.691,65 3.015,66 5.397,67 1.385,68 0.564,69 293,70 5.139} {0 CHEMBL1165723,2 0.609,3 0.542,4 1.914,5 0.371,6 0.471,7 0.471,8 2.992,9 0.941,10 0.941,11 2.936,12 1.379,13 2.786,14 0.37,15 0.925,16 -1.297,17 1.145,18 0.126,19 2.722,20 2.723,21 0.639,22 0.639,23 6855,24 2.481,25 2.481,26 3938,27 1.69,28 5.473,29 0.619,30 1920,31 2648,32 3.402,33 236,34 35.302,35 3.047,36 0.652,37 2.998,38 3.37,39 -3.481,40 -3.481,41 7.979,42 29.551,43 0.238,44 68.402,45 2045,46 9.751,47 1.159,48 25.989,49 1.067,50 0.615,51 7.329,52 0.725,53 8.453,54 -0.871,55 3.258,56 25,57 2,58 -1.687,59 6.221,60 9.155,61 115,62 77.849,63 3.795,64 4.477,65 2.973,66 4.015,67 1.251,68 -0.158,69 259,70 4.622} {0 CHEMBL1299467,2 2.566,3 0.314,4 2.969,5 0.205,6 1.51,7 1.51,8 3.443,9 3.392,10 3.392,11 4.046,12 2.502,13 4.027,14 1.495,15 2.579,16 1.551,17 0.59,18 2.04,19 3.375,20 3.339,21 1.945,22 1.945,23 40530,24 3.18,25 3.18,26 21105,27 2.89,28 11.411,29 2.146,30 11603,31 24354,32 4.034,33 679,34 70.502,35 3.666,36 1.263,37 3.47,38 3.98,39 1.567,40 1.567,41 11.426,42 54.45,43 0.127,44 158.15,45 11189,46 17.866,47 2.843,48 49.043,49 1.931,50 1.329,51 15.65,52 2.358,53 16.178,54 1.572,55 3.902,56 48.5,57 3.575,58 0.941,59 6.882,60 17.535,61 317,62 152.68,63 4.535,64 5.223,65 3.458,66 6.303,67 1.624,68 1.355,69 550,70 4.49} {0 CHEMBL1300177,1 129.322,2 2.543,3 0.281,4 2.886,5 0.177,6 1.44,7 1.44,8 3.372,9 3.71,10 3.71,11 4.167,12 2.421,13 4.067,14 1.413,15 2.683,16 1.513,17 0.479,18 2.103,19 3.342,20 3.329,21 1.534,22 1.534,23 33275,24 2.958,25 2.958,26 18595,27 2.534,28 11.09,29 2.024,30 11459,31 21998,32 4.056,33 741,34 65.339,35 3.656,36 1.383,37 3.514,38 3.986,39 1.116,40 1.116,41 10.842,42 50.527,43 0.135,44 148.096,45 10765,46 17.056,47 2.831,48 46.61,49 1.787,50 1.363,51 14.853,52 2.336,53 15.03,54 1.719,55 3.807,56 44,57 3.484,58 0.554,59 6.79,60 17.279,61 339,62 142.216,63 4.449,64 5.136,65 3.499,66 6.977,67 1.73,68 1.232,69 466,70 4.622} {0 CHEMBL1301037,2 0.894,3 0.429,4 2.473,5 0.272,6 0.555,7 0.555,8 3.032,9 1.018,10 1.018,11 2.943,12 1.501,13 3.232,14 0.523,15 1.285,16 -0.619,17 0.734,18 0.491,19 2.984,20 2.996,21 1,22 1,23 7726,24 2.603,25 2.603,26 5315,27 2,28 6.543,29 0.981,30 3296,31 3262,32 3.574,33 364,34 37.865,35 3.237,36 0.973,37 3.22,38 3.486,39 -2.137,40 -2.137,41 8.688,42 30.783,43 0.192,44 83.977,45 3373,46 11.057,47 1.604,48 27.299,49 1.352,50 0.938,51 7.478,52 1.372,53 9.33,55 3.367,56 28,57 2,58 -1.333,59 6.138,60 10.465,61 177,62 72.832,63 3.85,64 4.533,65 3.035,66 5.513,67 1.421,68 0.383,69 233,70 5.264} {0 CHEMBL1301243,1 73.038,2 1.34,3 0.344,4 2.644,5 0.228,6 1.223,7 1.223,8 3.23,9 2.838,10 2.838,11 3.614,12 2.194,13 3.425,14 1.176,15 2.307,17 0.663,18 0.943,19 2.952,20 2.963,21 1.4,22 1.4,23 15305,24 3.045,25 3.045,26 8230,27 2.36,28 7.622,29 1.676,30 4888,31 14873,32 3.722,33 392,34 51.55,35 3.319,36 0.892,37 3.148,38 3.693,39 -1.348,40 -1.348,41 10.875,42 39.341,43 0.167,44 99.032,45 4590,46 13.001,47 2.513,48 35.843,49 1.707,50 0.901,51 10.682,52 2.022,53 11.298,54 1.218,55 3.57,56 34.5,57 2.915,58 -0.801,59 6.589,60 12.935,61 176,62 111.773,63 4.22,64 4.905,65 3.188,66 4.932,67 1.493,68 1.004,69 362,70 5.747} {0 CHEMBL1301421,2 0.5,3 0.395,4 2.074,5 0.258,6 0.854,7 0.854,8 2.866,9 2.136,10 2.136,11 3.247,12 1.827,13 3.108,14 0.829,15 0.75,16 -0.955,17 0.729,18 0.243,19 2.91,20 2.897,21 1,22 1,23 5210,24 2.659,25 2.659,26 3639,27 2,28 6.323,29 1,30 2590,31 3817,32 3.566,33 288,34 36.034,35 3.166,36 0.949,37 3.131,38 3.485,39 -2.347,40 -2.347,41 8.305,42 28.065,43 0.209,44 70.346,45 2476,46 9.802,47 2,48 27.672,49 1,50 0.879,51 7.129,52 1.613,53 8.433,54 -0.679,55 3.239,56 24.5,57 2.124,58 -1.5,59 6.172,60 10.511,61 131,62 75.853,63 3.755,64 4.437,65 2.91,66 4.601,67 1.426,68 0.627,69 230,70 4.635} {0 CHEMBL1302524,2 2.322,3 0.4,4 2.765,5 0.266,6 1.252,7 1.252,8 3.185,9 2.995,10 2.995,11 3.897,12 2.255,13 3.485,14 1.232,15 2.5,16 0.973,17 0.785,18 1.703,19 2.992,20 3.032,21 1.459,22 1.459,23 26109,24 2.95,25 2.95,26 13199,27 2.457,28 7.927,29 1.76,30 6548,31 10606,32 3.769,33 500,34 57.442,35 3.393,36 0.966,37 3.241,38 3.773,39 -0.615,40 -0.615,41 9.877,42 46.644,43 0.156,44 123.83,45 6563,46 14.28,47 2.559,48 42.265,49 1.955,50 0.977,51 11.84,52 2.083,53 12.613,54 1.5,55 3.689,56 39,57 3.414,58 -0.288,59 6.723,60 14.047,61 238,62 130.12,63 4.29,64 4.977,65 3.252,66 5.426,67 1.533,68 1.067,69 437,70 5.051} {0 CHEMBL1302779,1 68.906,2 0.859,3 0.385,4 2.118,5 0.249,6 0.618,7 0.618,8 3.086,9 1.372,10 1.372,11 3.158,12 1.618,13 3.141,14 0.618,15 1.121,16 -0.647,17 0.697,18 0.333,19 2.815,20 2.786,21 0.763,22 0.763,23 11358,24 2.789,25 2.789,26 5734,27 1.765,28 6.326,29 0.927,30 2982,31 4450,32 3.444,33 309,34 42.229,35 3.087,36 0.604,37 2.938,38 3.408,39 -2.854,40 -2.854,41 9.177,42 31.072,43 0.197,44 76.438,45 2879,46 10.586,47 1.946,48 27.811,49 1.383,50 0.529,51 9.11,52 1.35,53 9.417,54 -0.347,55 3.384,56 28.5,57 2.354,58 -1.673,59 6.29,60 9.924,61 142,62 85.53,63 4.034,64 4.718,65 2.939,66 4.825,67 1.395,68 0.395,69 333,70 5.91} {0 CHEMBL1303887,2 1.35,3 0.342,4 2.5,5 0.216,6 1,7 1,8 2.909,9 2.275,10 2.275,11 3.414,12 2,13 3.489,14 1,15 1.731,16 0.083,17 0.578,18 0.974,19 2.822,20 2.838,21 1.114,22 1.114,23 20984,24 2.883,25 2.883,26 10413,27 2.053,28 7.496,29 1.5,30 5317,31 7055,32 3.596,33 453,34 46.001,35 3.252,36 1.108,37 3.022,38 3.584,39 -2.135,40 -2.135,41 9.224,42 38.14,43 0.174,44 102.473,45 5153,46 12.117,47 2.12,48 32.561,49 1.368,50 1.158,51 8.782,52 1.817,53 9.764,54 0.66,55 3.466,56 31,57 2.904,58 -0.996,59 6.46,60 12.019,61 212,62 104.106,63 4.043,64 4.727,65 2.992,66 5.974,67 1.415,68 0.811,69 380,70 5.627} {0 CHEMBL1304004,2 2.26,3 0.272,4 2.547,5 0.169,6 1.028,7 1.028,8 3.219,9 2.462,10 2.462,11 3.445,12 2.024,13 3.936,14 1.016,15 2.5,16 1.142,17 0.443,18 1.74,19 3.03,20 3.069,21 1.318,22 1.318,23 26691,24 2.833,25 2.833,26 14130,27 2.271,28 8.368,29 1.5,30 8514,31 14703,32 3.761,33 646,34 58.347,35 3.411,36 0.972,37 3.301,38 3.724,39 1.372,40 1.372,41 11.009,42 42.724,43 0.141,44 123.086,45 7888,46 13.734,47 2.5,48 39.917,49 1.661,50 0.986,51 11.353,52 2,53 12.747,54 1.498,55 3.714,56 40,57 3.247,58 0.927,59 6.592,60 13.882,61 291,62 115.421,63 4.311,64 4.997,65 3.369,66 6.897,67 1.511,68 1,69 428,70 5.143} {0 CHEMBL1304247,2 1.109,3 0.37,4 2.5,5 0.239,6 1,7 1,8 2.899,9 2.136,10 2.136,11 3.247,12 2,13 3.338,14 1,15 1.423,16 -0.205,17 0.666,18 0.784,19 2.829,20 2.839,21 1.319,22 1.319,23 10156,24 2.549,25 2.549,26 6173,27 2.316,28 6.507,29 1.5,30 3965,31 6658,32 3.609,33 376,34 43.624,35 3.264,36 0.986,37 3.056,38 3.556,39 -1.94,40 -1.94,41 9.95,42 32.789,43 0.178,44 88.567,45 3797,46 10.913,47 2.326,48 31.402,49 1.411,50 0.888,51 8.564,52 1.606,53 9.81,54 0.086,55 3.466,56 31,57 2.625,58 -1.259,59 6.297,60 11.318,61 173,62 85.245,63 4.007,64 4.691,65 3.171,66 5.157,67 1.473,68 0.609,69 272,70 5.184} {0 CHEMBL1304597,1 124.968,2 2.5,3 0.267,4 2.9,5 0.167,6 1.386,7 1.386,8 3.307,9 3.121,10 3.121,11 3.829,12 2.374,13 4.196,14 1.357,15 2.622,16 1.5,17 0.442,18 2,19 3.13,20 3.165,21 1.807,22 1.807,23 37777,24 2.784,25 2.784,26 20289,27 2.768,28 9.048,29 1.968,30 11935,31 24144,32 3.934,33 814,34 66.058,35 3.562,36 1.439,37 3.428,38 3.913,39 2.015,40 2.015,41 12.223,42 49.062,43 0.13,44 149.839,45 11335,46 15.418,47 2.745,48 46.317,49 1.961,50 1.451,51 12.063,52 2.228,53 13.704,54 1.612,55 3.829,56 45,57 3.414,58 1.149,59 6.739,60 16.276,61 376,62 133.672,63 4.457,64 5.145,65 3.362,66 7.486,67 1.761,68 1.219,69 431,70 5.057} {0 CHEMBL1305329,1 74.55,2 1.022,3 0.363,4 2.213,5 0.231,6 0.824,7 0.824,8 3.072,9 2.046,10 2.046,11 3.414,12 1.689,13 3.257,14 0.692,15 1.152,16 -0.445,17 0.626,18 0.532,19 2.735,20 2.715,21 1,22 1,23 13281,24 2.626,25 2.626,26 6748,27 1.981,28 7.78,29 1.107,30 3592,31 5549,32 3.624,33 365,34 43.273,35 3.258,36 0.699,37 2.925,38 3.512,39 -2.821,40 -2.821,41 9.58,42 34.076,43 0.19,44 83.234,45 3451,46 12.096,47 1.846,48 27.76,49 1,50 0.7,51 9.915,52 1.431,53 10.417,54 -0.177,55 3.401,56 29,57 2.425,58 -1.436,59 6.315,60 10.828,61 167,62 87.854,63 4.056,64 4.741,65 2.99,66 5.247,67 1.303,68 0.478,69 333,70 5.069} {0 CHEMBL1306211,2 0.28,3 0.479,4 1,5 0.311,6 -0.179,7 -0.179,8 2.687,9 -0.437,10 -0.437,11 2.368,12 0.741,13 2.76,14 -0.162,15 0.469,16 -1.5,17 0.86,18 -0.036,19 2.347,20 2.393,23 5227,24 2.62,25 2.62,26 2864,27 0.861,28 5.487,29 -0.21,30 1437,31 1205,32 3.189,33 205,34 26.733,35 2.929,36 0.509,37 2.662,38 3.114,39 -5.247,40 -5.247,41 6.757,42 25.797,43 0.253,44 53.898,45 1473,46 8.289,47 0.5,48 19.977,49 0.58,50 0.448,51 6.523,52 0.061,53 7.254,54 -1.396,55 2.996,56 19,57 1.344,58 -2,59 5.905,60 7.897,61 98,62 58,63 3.481,64 4.159,65 2.715,66 4.281,67 1.062,68 -0.837,69 204,70 4.002} {0 CHEMBL1306742,2 1.286,3 0.402,4 2.5,5 0.25,6 1,7 1,8 3.185,9 2.275,10 2.275,11 3.414,12 2,13 3.432,14 1,15 1.483,16 -0.106,17 0.658,18 0.87,19 2.807,20 2.795,21 1.399,22 1.399,23 21559,24 2.813,25 2.813,26 10743,27 2.319,28 6.586,29 1.5,30 5055,31 4333,32 3.511,33 487,34 44.23,35 3.185,36 0.912,37 3.057,38 3.515,39 -2.008,40 -2.008,41 8.571,42 36.119,43 0.166,44 103.589,45 5146,46 12.278,47 1.537,48 31.41,49 1.326,50 0.823,51 9.289,52 1.213,53 10.368,54 0.269,55 3.466,56 31,57 2.378,58 -0.986,59 6.344,60 11.075,61 238,62 92.268,63 4.025,64 4.71,65 3.077,66 6.314,67 1.527,68 0.277,69 353,70 5.183} {0 CHEMBL1306782,2 1.019,3 0.433,4 2.286,5 0.276,6 0.944,7 0.944,8 3.016,9 1.724,10 1.724,11 3.32,12 1.904,13 3.364,14 0.892,15 1.583,16 -0.211,17 0.756,18 0.794,19 2.98,20 2.984,21 1.231,22 1.231,23 13454,24 2.69,25 2.69,26 8260,27 2.21,28 6.985,29 1.092,30 4624,31 4408,32 3.573,33 447,34 44.106,35 3.268,36 0.945,37 3.299,38 3.558,39 -1.205,40 -1.205,41 9.087,42 34.847,43 0.182,44 102.065,45 4773,46 13.136,47 2.063,48 32.018,49 1.36,50 0.972,51 9.06,52 1.526,53 10.562,54 0.479,55 3.45,56 30.5,57 2.484,58 -0.75,59 6.392,60 11.406,61 220,62 94.35,63 4.021,64 4.705,65 3.035,66 5.815,67 1.688,68 0.532,69 327,70 5.426} {0 CHEMBL1307207,2 1.26,3 0.405,4 2.448,5 0.269,6 1.018,7 1.018,8 3.113,9 2.582,10 2.582,11 3.714,12 2.03,13 3.252,14 1.023,15 2,16 0.073,17 0.787,18 0.956,19 2.941,20 2.952,21 1.226,22 1.226,23 14777,24 2.804,25 2.804,26 8087,27 2.219,28 7.507,29 1.346,30 4376,31 8298,32 3.746,33 397,34 45.638,35 3.315,36 1.106,37 3.206,38 3.709,39 -1.622,40 -1.622,41 8.747,42 40.129,43 0.18,44 98.976,45 4359,46 12.598,47 2.257,48 35.901,49 1.424,50 1.1,51 10.019,52 1.984,53 10.792,54 0.86,55 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