@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4729

@attribute molecule_id {CHEMBL1078442,CHEMBL1091356,CHEMBL1110,CHEMBL116438,CHEMBL117,CHEMBL1179,CHEMBL1258517,CHEMBL1289053,CHEMBL1289283,CHEMBL1289395,CHEMBL1289396,CHEMBL1289515,CHEMBL1290155,CHEMBL1290264,CHEMBL149808,CHEMBL163,CHEMBL1643880,CHEMBL1643881,CHEMBL1643883,CHEMBL1650645,CHEMBL1650652,CHEMBL1650654,CHEMBL1743344,CHEMBL1743351,CHEMBL1771,CHEMBL1774933,CHEMBL178090,CHEMBL178516,CHEMBL178711,CHEMBL178780,CHEMBL179005,CHEMBL179398,CHEMBL179529,CHEMBL179618,CHEMBL179621,CHEMBL179669,CHEMBL179704,CHEMBL1921976,CHEMBL1933349,CHEMBL195217,CHEMBL2018903,CHEMBL2018904,CHEMBL2018905,CHEMBL2018906,CHEMBL2018907,CHEMBL2018908,CHEMBL2018909,CHEMBL2018910,CHEMBL2018911,CHEMBL2018912,CHEMBL2018913,CHEMBL2018914,CHEMBL2018915,CHEMBL2018916,CHEMBL2018917,CHEMBL2018918,CHEMBL2018919,CHEMBL2018920,CHEMBL2018921,CHEMBL2018922,CHEMBL2018923,CHEMBL2018924,CHEMBL2018925,CHEMBL2018926,CHEMBL2019022,CHEMBL2019023,CHEMBL2019024,CHEMBL2019025,CHEMBL2019026,CHEMBL202376,CHEMBL2036208,CHEMBL2036209,CHEMBL2036210,CHEMBL2036211,CHEMBL2036212,CHEMBL2036213,CHEMBL2036214,CHEMBL2036215,CHEMBL207831,CHEMBL208528,CHEMBL214784,CHEMBL214859,CHEMBL214990,CHEMBL215134,CHEMBL215174,CHEMBL215183,CHEMBL2170062,CHEMBL2170747,CHEMBL2170750,CHEMBL2170754,CHEMBL217125,CHEMBL2178422,CHEMBL218397,CHEMBL2204469,CHEMBL2347754,CHEMBL2347755,CHEMBL2347756,CHEMBL2347757,CHEMBL2347758,CHEMBL2347759,CHEMBL2347911,CHEMBL2347912,CHEMBL2347913,CHEMBL2347914,CHEMBL2347915,CHEMBL2347916,CHEMBL2347917,CHEMBL2347918,CHEMBL242983,CHEMBL244239,CHEMBL257990,CHEMBL26260,CHEMBL264241,CHEMBL266212,CHEMBL275528,CHEMBL283196,CHEMBL296580,CHEMBL348475,CHEMBL359657,CHEMBL360541,CHEMBL360999,CHEMBL361153,CHEMBL361364,CHEMBL385008,CHEMBL386124,CHEMBL386250,CHEMBL407034,CHEMBL410355,CHEMBL425519,CHEMBL446083,CHEMBL447591,CHEMBL448743,CHEMBL453169,CHEMBL456379,CHEMBL456390,CHEMBL460178,CHEMBL462093,CHEMBL462513,CHEMBL469227,CHEMBL488400,CHEMBL493001,CHEMBL498371,CHEMBL498373,CHEMBL499007,CHEMBL500394,CHEMBL502335,CHEMBL502824,CHEMBL502908,CHEMBL551991,CHEMBL62811,CHEMBL638,CHEMBL671,CHEMBL691,CHEMBL83,CHEMBL833}
@attribute Eig02_AEA.ed. numeric
@attribute nRCONR2 numeric
@attribute Eig02_EA.ed. numeric
@attribute SM11_AEA.dm. numeric
@attribute SpMax2_Bh.i. numeric
@attribute CATS2D_01_AA numeric
@attribute Eig02_EA numeric
@attribute SM10_AEA.bo. numeric
@attribute CATS2D_01_DA numeric
@attribute GATS2e numeric
@attribute GATS2s numeric
@attribute MATS2s numeric
@attribute MAXDN numeric
@attribute SM03_EA.dm. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SssssC numeric
@attribute SpMin2_Bh.m. numeric
@attribute SpMax2_Bh.e. numeric
@attribute X5Av numeric
@attribute Eig02_AEA.ri. numeric
@attribute SpMax2_Bh.m. numeric
@attribute ATS4p numeric
@attribute C.018 numeric
@attribute ATSC2e numeric
@attribute ATSC2s numeric
@attribute MATS2e numeric
@attribute X. numeric
@attribute SpMin3_Bh.s. numeric
@attribute Eig01_EA.bo. numeric
@attribute SM11_AEA.ri. numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpMax_EA.bo. numeric
@attribute C.031 numeric
@attribute SM05_EA.dm. numeric
@attribute SM15_EA.bo. numeric
@attribute nROR numeric
@attribute O.059 numeric
@attribute Eig01_EA.dm. numeric
@attribute SM06_EA.dm. numeric
@attribute SM07_EA.dm. numeric
@attribute SM08_EA.dm. numeric
@attribute SM09_EA.dm. numeric
@attribute SM10_EA.dm. numeric
@attribute SM11_EA.dm. numeric
@attribute SM12_EA.dm. numeric
@attribute SM13_EA.dm. numeric
@attribute SM14_EA.dm. numeric
@attribute SM15_EA.dm. numeric
@attribute SpMax_EA.dm. numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute pXC50 numeric

@data
{1 6.01,3 8.498,4 8.498,5 3.87,7 2.622,8 2.622,10 0.885,11 0.554,12 0.176,13 2.056,15 7.434,17 1.998,18 3.822,19 0.021,20 3.597,21 3.705,22 3.927,24 0.209,25 27.254,26 0.1,28 1.002,29 4.593,30 4.593,31 7.593,32 4.593,35 22.892,38 1.674,39 3.914,41 4.874,43 5.874,45 6.891,47 7.915,49 1.674,50 1.334,51 11.04,52 5.479,53 30.021,54 99.849,55 7.201,56 0.37,57 3.932,58 4.026,59 3.471,60 3.483,61 5.027,62 3.459,63 4.461,64 4.616,65 3.811,66 3.833,67 5.284}
{0 CHEMBL1091356,1 6.396,3 9.685,4 9.685,5 4,7 2.994,8 2.994,10 0.979,11 0.585,12 0.097,13 2.034,14 1.494,15 7.432,17 2.036,18 3.958,19 0.028,20 3.971,21 3.903,22 4.686,24 0.63,25 51.334,26 0.075,28 1.255,29 4.057,30 4.057,31 7.057,32 4.057,33 2,34 2.464,35 21.473,36 2,37 2,38 1.656,39 3.481,40 3.475,41 4.272,42 4.501,43 5.168,44 5.524,45 6.119,46 6.542,47 7.097,48 7.557,49 1.656,50 1.544,51 19.17,52 3.558,53 12.66,54 176.044,55 7.043,56 0.34,57 4.613,58 4.742,59 4.141,60 4.095,61 5.606,62 4.08,63 5.223,64 5.413,65 4.526,66 4.527,67 4.523}
{0 CHEMBL1110,1 6.258,3 9.252,4 9.252,5 3.999,7 2.884,8 2.884,10 0.87,11 0.557,12 0.042,13 1.555,14 0.325,15 7.428,17 1.957,18 3.937,19 0.025,20 3.837,21 3.883,22 3.943,24 0.197,25 13.748,26 0.055,28 0.974,29 4.742,30 4.742,31 7.742,32 4.742,34 0.74,35 23.389,38 1.23,39 1.853,40 1.168,41 2.14,42 1.605,43 2.456,44 2.049,45 2.793,46 2.494,47 3.145,48 2.938,49 1.23,50 1.508,51 7.864,52 1.868,53 3.489,54 85.433,55 7.36,56 0.6,57 3.807,58 3.936,59 3.385,60 3.347,61 4.863,62 3.331,63 4.364,64 4.555,65 3.779,66 3.771,67 5}
{0 CHEMBL116438,1 6.069,3 8.758,4 8.758,5 3.933,7 2.867,8 2.867,10 1.009,11 0.688,12 -0.006,13 2.076,15 7.429,17 1.994,18 3.919,19 0.024,20 3.827,21 3.871,22 3.843,24 0.277,25 24.263,26 -0.119,28 0.788,29 3.912,30 3.912,31 6.912,32 3.912,35 21.194,38 0.86,39 0.963,41 0.787,43 0.634,45 0.504,47 0.395,49 0.86,50 1.423,51 12.741,52 3.357,53 11.271,54 105.416,55 7.839,56 0.429,57 3.939,58 4.018,59 3.509,60 3.454,61 5.239,62 3.458,63 4.36,64 4.48,65 3.802,66 3.758,67 4.611}
{0 CHEMBL117,1 6.12,3 8.972,4 8.972,5 3.873,7 2.759,8 2.759,10 0.744,11 0.604,12 0.002,13 2.016,15 7.428,17 1.934,18 3.852,19 0.019,20 3.737,21 3.792,22 3.414,24 0.126,25 12.7,26 -0.035,28 0.576,29 4.221,30 4.221,31 7.221,32 4.221,35 21.729,38 0.86,39 0.593,41 0.469,43 0.366,45 0.283,47 0.217,49 0.86,50 1.416,51 7.211,52 2.602,53 6.769,54 70.435,55 8.767,56 0.571,57 3.517,58 3.573,59 3.201,60 3.121,61 4.837,62 3.138,63 3.936,64 4.004,65 3.579,66 3.478,67 4.602}
{0 CHEMBL1179,1 5.131,3 6.05,4 6.05,5 3.743,7 2.19,8 2.19,10 0.91,11 0.925,12 -0.092,13 0.901,15 5.035,17 1.535,18 3.691,19 0.035,20 3.183,21 3.579,22 2.832,24 0.04,25 6.371,26 -0.083,28 0.669,29 3.616,30 3.616,31 6.616,32 3.616,35 19.233,50 1.222,51 4.7,52 1.194,53 1.425,54 41.696,55 6.343,56 0.545,57 3.128,58 3.269,59 2.574,60 2.743,61 4.105,62 2.676,63 3.583,64 3.771,65 2.722,66 3.034,67 5.181}
{0 CHEMBL1258517,1 6.278,3 9.552,4 9.552,5 3.954,7 2.942,8 2.942,10 1.064,11 0.678,12 0.092,13 1.992,14 1.404,15 7.431,17 1.934,18 3.911,19 0.024,20 3.887,21 3.839,22 4.237,24 0.632,25 43.533,26 0.047,28 1.187,29 4.057,30 4.057,31 7.057,32 4.057,33 1,34 2.382,35 21.257,36 2,37 2,38 1.656,39 3.324,40 3.421,41 4.179,42 4.467,43 5.118,44 5.504,45 6.093,46 6.531,47 7.084,48 7.551,49 1.656,50 1.633,51 13.639,52 2.368,53 5.608,54 132.873,55 7.635,56 0.439,57 4.293,58 4.416,59 3.893,60 3.759,61 5.354,62 3.772,63 4.874,64 5.049,65 4.262,66 4.17,67 4.523}
{0 CHEMBL1289053,1 6.415,2 1,3 9.845,4 9.845,5 3.948,6 1,7 2.945,8 2.945,10 1.061,11 0.71,12 -0.014,13 1.809,14 1.048,15 7.429,17 2.026,18 3.92,19 0.022,20 3.901,21 3.855,22 4.016,23 1,24 0.235,25 20.37,26 -0.047,28 1.004,29 4.509,30 4.509,31 7.509,32 4.509,34 1.932,35 22.648,36 1,37 1,38 1.464,39 3.092,40 2.724,41 3.601,42 3.488,43 4.18,44 4.243,45 4.816,46 4.996,47 5.493,48 5.75,49 1.464,50 1.557,51 13.7,52 1.94,53 3.764,54 116.901,55 7.833,56 0.471,57 4.058,58 4.173,59 3.684,60 3.607,61 5.171,62 3.605,63 4.58,64 4.739,65 4.034,66 3.987,67 5}
{0 CHEMBL1289283,1 6.411,2 1,3 9.827,4 9.827,5 3.949,6 1,7 2.937,8 2.937,10 1.117,11 0.637,12 0.038,13 1.786,14 0.57,15 7.429,17 2.029,18 3.921,19 0.026,20 3.894,21 3.854,22 4.141,23 1,24 0.223,25 21.545,26 -0.058,28 1.137,29 4.507,30 4.507,31 7.507,32 4.507,34 0.801,35 22.637,36 1,37 1,38 1.2,39 2.362,40 1.074,41 2.614,42 1.404,43 2.884,44 1.768,45 3.165,46 2.15,47 3.454,48 2.538,49 1.2,50 1.477,51 14.419,52 2.993,53 8.958,54 124.522,55 7.273,56 0.457,57 4.147,58 4.267,59 3.715,60 3.696,61 5.184,62 3.673,63 4.704,64 4.879,65 4.058,66 4.091,67 5}
{0 CHEMBL1289395,1 6.461,2 1,3 9.999,4 9.999,5 3.951,7 2.996,8 2.996,10 1.073,11 0.641,12 0.023,13 1.768,14 0.325,15 7.429,17 2.032,18 3.924,19 0.025,20 3.953,21 3.859,22 4.19,23 1,24 0.201,25 20.128,26 -0.039,28 1.134,29 4.726,30 4.726,31 7.726,32 4.726,34 0.653,35 23.328,36 1,37 1,38 1.2,39 2.352,40 1.001,41 2.607,42 1.37,43 2.879,44 1.754,45 3.162,46 2.143,47 3.453,48 2.535,49 1.2,50 1.454,51 12.345,52 2.947,53 8.684,54 116.469,55 7.413,56 0.485,57 4.062,58 4.176,59 3.645,60 3.637,61 5.119,62 3.616,63 4.605,64 4.769,65 4.014,66 4.046,67 5}
{0 CHEMBL1289396,1 6.462,2 1,3 10.002,4 10.002,5 3.951,7 2.999,8 2.999,10 1.149,11 0.616,12 0.044,13 1.765,14 0.57,15 7.429,17 2.033,18 3.924,19 0.026,20 3.955,21 3.859,22 4.27,23 1,24 0.241,25 21.274,26 -0.055,28 1.134,29 4.727,30 4.727,31 7.727,32 4.727,34 0.877,35 23.331,36 1,37 1,38 1.2,39 2.402,40 1.159,41 2.642,42 1.472,43 2.902,44 1.815,45 3.177,46 2.18,47 3.463,48 2.556,49 1.2,50 1.437,51 12.967,52 3.483,53 12.129,54 121.763,55 7.264,56 0.471,57 4.11,58 4.226,59 3.679,60 3.676,61 5.154,62 3.652,63 4.664,64 4.839,65 4.052,66 4.087,67 5}
{0 CHEMBL1289515,1 6.411,2 1,3 9.827,4 9.827,5 3.949,6 1,7 2.937,8 2.937,10 1.074,11 0.714,12 -0.012,13 1.81,14 0.57,15 7.429,17 2.029,18 3.921,19 0.026,20 3.894,21 3.854,22 4.162,23 1,24 0.239,25 24.336,26 -0.088,28 1.137,29 4.507,30 4.507,31 7.507,32 4.507,34 0.801,35 22.637,36 1,37 1,38 1.2,39 2.362,40 1.074,41 2.614,42 1.404,43 2.884,44 1.768,45 3.165,46 2.15,47 3.454,48 2.538,49 1.2,50 1.529,51 15.063,52 1.902,53 3.619,54 125.841,55 7.423,56 0.444,57 4.173,58 4.287,59 3.747,60 3.702,61 5.248,62 3.69,63 4.723,64 4.888,65 4.103,66 4.101,67 5}
{0 CHEMBL1290155,1 6.455,2 1,3 9.977,4 9.977,5 3.95,7 2.984,8 2.984,10 0.995,11 0.646,12 0.014,13 1.775,14 0.325,15 7.429,17 2.03,18 3.923,19 0.025,20 3.943,21 3.858,22 4.065,23 1,24 0.158,25 17.795,26 -0.022,28 1.132,29 4.597,30 4.597,31 7.597,32 4.597,34 0.653,35 22.926,36 1,37 1,38 1.2,39 2.352,40 1.001,41 2.607,42 1.37,43 2.879,44 1.754,45 3.162,46 2.143,47 3.453,48 2.535,49 1.2,50 1.471,51 12.286,52 2.455,53 6.025,54 111.367,55 7.581,56 0.5,57 4.011,58 4.123,59 3.61,60 3.596,61 5.083,62 3.579,63 4.542,64 4.692,65 3.975,66 4.004,67 5}
{0 CHEMBL1290264,1 6.462,2 1,3 10.002,4 10.002,5 3.951,7 2.998,8 2.998,10 1.149,11 0.616,12 0.044,13 1.765,14 0.57,15 7.429,17 2.032,18 3.924,19 0.026,20 3.955,21 3.859,22 4.273,23 1,24 0.241,25 21.274,26 -0.055,28 1.135,29 4.727,30 4.727,31 7.727,32 4.727,34 0.877,35 23.331,36 1,37 1,38 1.2,39 2.402,40 1.159,41 2.642,42 1.472,43 2.902,44 1.815,45 3.177,46 2.18,47 3.463,48 2.556,49 1.2,50 1.437,51 12.967,52 3.196,53 10.216,54 121.558,55 7.264,56 0.471,57 4.11,58 4.226,59 3.679,60 3.676,61 5.154,62 3.652,63 4.664,64 4.839,65 4.052,66 4.087,67 5}
{0 CHEMBL149808,1 3.729,3 3.364,4 3.364,5 3.642,7 1.695,8 1.695,10 1.645,11 1.212,12 -0.191,13 0.783,15 4.974,17 1.772,18 3.557,19 0.025,20 2.656,21 3.429,22 2.592,24 0.077,25 11.11,26 -0.348,28 0.506,29 3.599,30 3.599,31 6.599,32 3.599,35 19.119,38 0.867,39 0.615,41 0.494,43 0.393,45 0.309,47 0.241,49 0.867,50 1.357,51 6.273,52 0.808,53 0.652,54 45.713,55 6.962,56 0.545,57 3.1,58 3.242,59 2.604,60 2.651,61 4.25,62 2.61,63 3.529,64 3.754,65 2.712,66 2.886,67 4.222}
{0 CHEMBL163,1 6.112,3 8.971,4 8.971,5 3.942,7 2.893,8 2.893,10 0.67,11 0.581,12 0.095,13 2.382,14 2.53,15 7.437,17 2.049,18 3.908,19 0.037,20 3.851,21 4.202,22 4.729,24 0.649,25 65.711,26 0.211,28 1.218,29 3.781,30 3.781,31 6.781,32 3.781,34 4.231,35 20.597,38 2.204,39 5.484,40 5.813,41 6.868,42 7.363,43 8.31,44 8.906,45 9.789,46 10.45,47 11.294,48 11.998,49 2.204,50 1.615,51 16.9,52 5.512,53 30.377,54 198.799,55 7.358,56 0.415,57 4.647,58 4.771,59 4.233,60 4.191,61 5.719,62 4.131,63 5.199,64 5.382,65 4.585,66 4.575,67 5.699}
{0 CHEMBL1643880,1 6.232,3 9.39,4 9.39,5 4.006,7 2.962,8 2.962,10 0.757,11 0.494,12 0.06,13 1.881,14 0.325,15 7.429,17 1.887,18 3.956,19 0.037,20 3.926,21 3.866,22 3.743,24 0.179,25 15.309,26 -0.026,28 0.825,29 4.532,30 4.532,31 7.532,32 4.532,34 0.268,35 22.687,38 1.058,39 1.406,40 0.188,41 1.462,42 0.125,43 1.533,44 0.082,45 1.613,46 0.054,47 1.698,48 0.035,49 1.058,50 1.699,51 8.048,52 1.447,53 2.093,54 81.954,55 7.985,56 0.417,57 3.77,58 3.88,59 3.454,60 3.357,61 4.813,62 3.312,63 4.355,64 4.52,65 3.856,66 3.815,67 5}
{0 CHEMBL1643881,1 6.586,3 10.454,4 10.454,5 4.006,7 3.016,8 3.016,9 1,10 0.89,11 0.507,12 0.041,13 1.478,14 0.57,15 7.428,17 2.024,18 3.947,19 0.03,20 3.985,21 3.843,22 3.922,24 0.172,25 12.751,26 -0.03,28 0.889,29 4.628,30 4.628,31 7.628,32 4.628,34 0.877,35 22.991,38 1.23,39 1.894,40 1.23,41 2.16,42 1.632,43 2.465,44 2.06,45 2.797,46 2.499,47 3.147,48 2.94,49 1.23,50 1.515,51 7.095,52 1.606,53 2.579,54 80.599,55 7.241,56 0.4,57 3.808,58 3.937,59 3.386,60 3.352,61 4.763,62 3.333,63 4.438,64 4.622,65 3.816,66 3.845,67 5}
{0 CHEMBL1643883,1 6.638,3 10.624,4 10.624,5 4.01,6 1,7 3.052,8 3.052,10 0.975,11 0.501,12 0.056,13 1.468,14 0.57,15 7.428,17 2.035,18 3.951,19 0.03,20 4.016,21 3.847,22 4.025,24 0.206,25 13.74,26 -0.033,28 0.921,29 4.715,30 4.715,31 7.715,32 4.715,34 0.877,35 23.272,38 1.23,39 1.894,40 1.23,41 2.16,42 1.632,43 2.465,44 2.06,45 2.797,46 2.499,47 3.147,48 2.94,49 1.23,50 1.489,51 7.182,52 1.812,53 3.283,54 85.496,55 7.057,56 0.385,57 3.87,58 4.001,59 3.43,60 3.404,61 4.806,62 3.38,63 4.507,64 4.703,65 3.866,66 3.89,67 5}
{0 CHEMBL1650645,1 6.198,3 9.27,4 9.27,5 3.915,7 2.875,8 2.875,10 0.657,11 0.599,12 -0.003,13 1.43,15 6.473,17 1.981,18 3.891,19 0.023,20 3.869,21 3.84,22 3.954,24 0.023,25 9.789,26 -0.037,28 0.911,29 4.583,30 4.583,31 7.583,32 4.583,35 22.928,50 1.366,51 9.208,52 4.09,53 16.726,54 94.012,55 8.035,56 0.852,57 3.778,58 3.863,59 3.412,60 3.449,61 5.003,62 3.426,63 4.209,64 4.317,65 3.762,66 3.838,67 5.272}
{0 CHEMBL1650652,1 6.2,3 9.276,4 9.276,5 3.921,7 2.88,8 2.88,10 0.572,11 0.547,12 0.031,13 1.509,15 6.477,17 1.997,18 3.902,19 0.023,20 3.874,21 3.85,22 4.01,24 0.005,25 9.175,28 0.983,29 4.585,30 4.585,31 7.585,32 4.585,35 22.95,50 1.288,51 9.32,52 4.973,53 24.731,54 97.863,55 8.009,56 0.821,57 3.828,58 3.906,59 3.448,60 3.491,61 5.072,62 3.47,63 4.252,64 4.347,65 3.816,66 3.887,67 4.926}
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{0 CHEMBL2018917,1 5.929,3 8.228,4 8.228,5 3.976,7 2.784,8 2.784,10 1.094,11 0.863,12 0.157,13 0.833,15 5.073,17 1.987,18 3.946,19 0.035,20 3.782,21 3.894,22 3.875,24 0.169,25 17.418,26 0.071,28 1.021,29 4.434,30 4.434,31 7.434,32 4.434,35 22.402,38 3.272,39 7.807,41 10.177,43 12.548,45 14.919,47 17.29,49 3.272,50 1.5,51 10.818,52 5.19,53 26.939,54 92.615,55 7.44,56 0.667,57 3.816,58 3.93,59 3.446,60 3.44,61 4.854,62 3.369,63 4.335,64 4.504,65 3.8,66 3.807,67 4.842}
{0 CHEMBL2018918,1 6.273,3 9.591,4 9.591,5 3.992,7 3.019,8 3.019,10 1.066,11 0.777,12 0.242,13 1.052,15 5.074,16 0.198,17 1.987,18 3.961,19 0.034,20 3.963,21 3.906,22 4.004,24 0.18,25 19.077,26 0.095,28 1.048,29 4.434,30 4.434,31 7.434,32 4.434,35 22.453,38 3.272,39 7.807,41 10.177,43 12.548,45 14.919,47 17.29,49 3.272,50 1.474,51 10.957,52 5.396,53 29.122,54 97.09,55 7.256,56 0.64,57 3.878,58 3.995,59 3.482,60 3.495,61 4.905,62 3.42,63 4.406,64 4.582,65 3.866,66 3.88,67 4.301}
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{0 CHEMBL2018922,1 5.929,3 8.228,4 8.228,5 3.948,7 2.784,8 2.784,10 0.755,11 0.449,12 0.206,13 2.578,15 7.475,17 1.987,18 3.928,19 0.032,20 3.783,21 3.893,22 3.664,24 0.292,25 35.684,26 0.108,28 0.723,29 4.434,30 4.434,31 7.434,32 4.434,35 22.423,38 3.272,39 7.814,41 10.179,43 12.549,45 14.919,47 17.29,49 3.272,50 1.724,51 10.818,52 3.601,53 12.964,54 85.183,55 8.733,56 0.667,57 3.707,58 3.792,59 3.452,60 3.318,61 4.926,62 3.289,63 4.172,64 4.288,65 3.816,66 3.669,67 4.301}
{0 CHEMBL2018923,1 6.168,3 9.174,4 9.174,5 4.018,7 2.892,8 2.892,10 1.148,11 0.981,12 0.005,13 0.842,15 5.074,17 1.987,18 3.994,19 0.033,20 3.89,21 3.942,22 3.94,24 0.149,25 15.76,26 0.022,28 1.014,29 4.434,30 4.434,31 7.434,32 4.434,35 22.49,38 3.272,39 7.807,41 10.177,43 12.548,45 14.919,47 17.29,49 3.272,50 1.489,51 11.6,52 5.515,53 30.41,54 103.56,55 8.058,56 0.786,57 3.862,58 3.961,59 3.561,60 3.538,61 4.962,62 3.482,63 4.343,64 4.475,65 3.907,66 3.902,67 5.959}
{0 CHEMBL2018924,1 6.183,3 9.226,4 9.226,5 4.075,7 2.921,8 2.921,10 1.143,11 0.958,12 0.024,13 0.85,15 5.077,17 1.987,18 4.045,19 0.03,20 3.899,21 4.006,22 3.757,24 0.131,25 13.902,26 -0.007,28 0.895,29 4.435,30 4.435,31 7.435,32 4.435,35 22.88,38 3.272,39 7.807,41 10.177,43 12.548,45 14.919,47 17.29,49 3.272,50 1.605,51 10.826,52 4.611,53 21.26,54 91.973,55 8.459,56 0.808,57 3.762,58 3.86,59 3.505,60 3.418,61 4.884,62 3.376,63 4.247,64 4.378,65 3.87,66 3.778,67 4.81}
{0 CHEMBL2018925,1 5.686,3 8.016,4 8.016,5 3.968,7 2.755,8 2.755,10 1.143,11 0.93,12 0.067,13 0.855,15 5.075,17 1.987,18 3.948,19 0.031,20 3.708,21 3.902,22 3.864,24 0.13,25 17.195,26 -0.005,28 1.035,29 4.434,30 4.434,31 7.434,32 4.434,35 22.422,38 3.272,39 7.807,41 10.177,43 12.548,45 14.919,47 17.29,49 3.272,50 1.566,51 12.308,52 5.556,53 30.872,54 104.665,55 8.238,56 0.759,57 3.896,58 3.988,59 3.607,60 3.536,61 5.022,62 3.495,63 4.372,64 4.496,65 3.953,66 3.878,67 5.699}
{0 CHEMBL2018926,1 5.515,3 7.454,4 7.454,5 3.969,7 2.679,8 2.679,10 1.274,11 1.074,12 -0.023,13 0.919,15 5.075,17 1.991,18 3.945,19 0.032,20 3.644,21 3.892,22 3.925,24 0.178,25 19.567,26 -0.053,28 1.098,29 4.434,30 4.434,31 7.434,32 4.434,35 22.41,38 3.272,39 7.809,41 10.178,43 12.548,45 14.919,47 17.29,49 3.272,50 1.543,51 13.815,52 5.563,53 30.949,54 109.5,55 8.011,56 0.733,57 3.953,58 4.049,59 3.638,60 3.586,61 5.054,62 3.54,63 4.445,64 4.577,65 3.973,66 3.934,67 4.301}
{0 CHEMBL2019022,1 5.383,3 7.081,4 7.081,5 3.906,7 2.539,8 2.539,10 1.209,11 1.018,12 -0.006,13 0.847,15 5.075,17 1.955,18 3.864,19 0.033,20 3.482,21 3.845,22 3.483,24 0.153,25 13.685,26 -0.048,28 0.694,29 4.434,30 4.434,31 7.434,32 4.434,35 22.363,38 3.272,39 7.807,41 10.177,43 12.548,45 14.919,47 17.29,49 3.272,50 1.682,51 9.211,52 3.274,53 10.719,54 75.895,55 8.48,56 0.762,57 3.588,58 3.69,59 3.336,60 3.209,61 4.722,62 3.166,63 4.063,64 4.204,65 3.675,66 3.539,67 4.301}
{0 CHEMBL2019023,1 5.387,3 7.104,4 7.104,5 3.906,7 2.541,8 2.541,10 1.131,11 0.93,12 0.094,13 0.836,15 5.072,17 1.955,18 3.864,19 0.033,20 3.482,21 3.845,22 3.553,24 0.124,25 15.17,26 0.024,28 0.927,29 4.435,30 4.435,31 7.435,32 4.435,35 22.364,38 3.272,39 7.807,41 10.177,43 12.548,45 14.919,47 17.29,49 3.272,50 1.645,51 9.85,52 3.623,53 13.125,54 80.643,55 8.154,56 0.727,57 3.665,58 3.772,59 3.377,60 3.278,61 4.759,62 3.228,63 4.156,64 4.307,65 3.716,66 3.605,67 5.004}
{0 CHEMBL2019024,1 5.372,3 7.045,4 7.045,5 3.906,7 2.535,8 2.535,10 0.777,11 0.767,12 0.153,13 0.721,15 5.052,17 1.955,18 3.864,19 0.035,20 3.481,21 3.846,22 3.458,24 0.099,25 10.451,26 0.233,28 0.703,29 4.432,30 4.432,31 7.432,32 4.432,35 22.354,38 3.272,39 7.807,41 10.177,43 12.548,45 14.919,47 17.29,49 3.272,50 1.53,51 8.611,52 3.777,53 14.263,54 74.473,55 8.238,56 0.8,57 3.541,58 3.654,59 3.275,60 3.213,61 4.634,62 3.148,63 4.017,64 4.171,65 3.629,66 3.56,67 4.301}
{0 CHEMBL2019025,1 5.424,3 7.233,4 7.233,5 3.906,7 2.554,8 2.554,10 0.594,11 0.565,12 0.282,13 4.167,14 2.547,15 8.365,17 1.955,18 3.864,19 0.031,20 3.485,21 3.846,22 3.475,24 0.71,25 76.844,26 0.341,27 6.3,28 0.694,29 4.435,30 4.435,31 7.435,32 4.435,34 4.711,35 22.365,38 3.272,39 7.938,40 6.71,41 10.26,42 8.66,43 12.601,44 10.594,45 14.954,46 12.523,47 17.312,48 14.451,49 3.272,50 1.934,51 10,52 4.096,53 16.776,54 75.904,55 9.605,56 0.696,57 3.616,58 3.707,59 3.437,60 3.204,61 4.842,62 3.198,63 4.122,64 4.242,65 3.832,66 3.535,67 4.662}
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