@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3314

@attribute molecule_id {CHEMBL104,CHEMBL1077010,CHEMBL108183,CHEMBL108202,CHEMBL108294,CHEMBL110995,CHEMBL111705,CHEMBL122575,CHEMBL122983,CHEMBL125796,CHEMBL127027,CHEMBL127085,CHEMBL131760,CHEMBL13236,CHEMBL13357,CHEMBL134167,CHEMBL134927,CHEMBL135724,CHEMBL140740,CHEMBL142592,CHEMBL143399,CHEMBL150384,CHEMBL151939,CHEMBL16873,CHEMBL170074,CHEMBL170200,CHEMBL170402,CHEMBL170683,CHEMBL170718,CHEMBL170838,CHEMBL170878,CHEMBL170879,CHEMBL171119,CHEMBL171354,CHEMBL171492,CHEMBL171676,CHEMBL171801,CHEMBL171805,CHEMBL172078,CHEMBL172093,CHEMBL172849,CHEMBL172873,CHEMBL173989,CHEMBL174276,CHEMBL176540,CHEMBL1957050,CHEMBL1957051,CHEMBL1957052,CHEMBL1957053,CHEMBL2040983,CHEMBL20461,CHEMBL21485,CHEMBL22979,CHEMBL23870,CHEMBL23999,CHEMBL24108,CHEMBL24281,CHEMBL24283,CHEMBL24309,CHEMBL24647,CHEMBL25776,CHEMBL25830,CHEMBL25945,CHEMBL26011,CHEMBL26056,CHEMBL26066,CHEMBL26127,CHEMBL26171,CHEMBL26283,CHEMBL26285,CHEMBL26286,CHEMBL26297,CHEMBL26342,CHEMBL264623,CHEMBL265780,CHEMBL269484,CHEMBL273334,CHEMBL27569,CHEMBL277191,CHEMBL277905,CHEMBL281124,CHEMBL281524,CHEMBL282374,CHEMBL283146,CHEMBL28420,CHEMBL284350,CHEMBL284545,CHEMBL284665,CHEMBL285101,CHEMBL285285,CHEMBL285306,CHEMBL287133,CHEMBL287136,CHEMBL287318,CHEMBL287319,CHEMBL287614,CHEMBL287918,CHEMBL288150,CHEMBL288176,CHEMBL289589,CHEMBL290047,CHEMBL290574,CHEMBL290577,CHEMBL291026,CHEMBL291261,CHEMBL291397,CHEMBL292834,CHEMBL293590,CHEMBL294290,CHEMBL294326,CHEMBL295221,CHEMBL302046,CHEMBL302387,CHEMBL303194,CHEMBL303300,CHEMBL303431,CHEMBL303579,CHEMBL303871,CHEMBL303908,CHEMBL304154,CHEMBL304338,CHEMBL304544,CHEMBL304729,CHEMBL304785,CHEMBL304838,CHEMBL305066,CHEMBL305175,CHEMBL305296,CHEMBL305319,CHEMBL305800,CHEMBL308215,CHEMBL310871,CHEMBL311321,CHEMBL312679,CHEMBL313182,CHEMBL314777,CHEMBL31523,CHEMBL316148,CHEMBL318052,CHEMBL318482,CHEMBL319173,CHEMBL320132,CHEMBL325154,CHEMBL330647,CHEMBL34964,CHEMBL352917,CHEMBL353816,CHEMBL355609,CHEMBL367319,CHEMBL36744,CHEMBL368262,CHEMBL368502,CHEMBL368630,CHEMBL369796,CHEMBL412452,CHEMBL412582,CHEMBL413681,CHEMBL415755,CHEMBL418050,CHEMBL418251,CHEMBL419985,CHEMBL42039,CHEMBL421718,CHEMBL423112,CHEMBL42495,CHEMBL431187,CHEMBL432467,CHEMBL433135,CHEMBL435213,CHEMBL439755,CHEMBL44182,CHEMBL442366,CHEMBL44298,CHEMBL443008,CHEMBL448420,CHEMBL448737,CHEMBL48412,CHEMBL540507,CHEMBL542949,CHEMBL543416,CHEMBL543652,CHEMBL554013,CHEMBL555920,CHEMBL59660,CHEMBL59988,CHEMBL59998,CHEMBL60080,CHEMBL60160,CHEMBL60241,CHEMBL60244,CHEMBL60245,CHEMBL60495,CHEMBL60715,CHEMBL60776,CHEMBL61059,CHEMBL61933,CHEMBL62160,CHEMBL62222,CHEMBL63834,CHEMBL64202,CHEMBL64494,CHEMBL64495,CHEMBL65936,CHEMBL66504,CHEMBL67054,CHEMBL67334,CHEMBL67393,CHEMBL67947,CHEMBL68162,CHEMBL68428,CHEMBL68431,CHEMBL68585,CHEMBL68637,CHEMBL68915,CHEMBL68946,CHEMBL69009,CHEMBL69090,CHEMBL69096,CHEMBL69553,CHEMBL69564,CHEMBL69611,CHEMBL69677,CHEMBL69714,CHEMBL69849,CHEMBL69969,CHEMBL69991,CHEMBL70061,CHEMBL70068,CHEMBL71362,CHEMBL71757,CHEMBL78562,CHEMBL81556,CHEMBL83560,CHEMBL83568,CHEMBL84768,CHEMBL85136,CHEMBL85154,CHEMBL85164,CHEMBL86453,CHEMBL87150,CHEMBL87407,CHEMBL87446,CHEMBL87575,CHEMBL87825,CHEMBL95260,CHEMBL95813,CHEMBL97927,CHEMBL99558}
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig05_EA.bo. numeric
@attribute SM15_AEA.ri. numeric
@attribute Rperim numeric
@attribute Vindex numeric
@attribute Xindex numeric
@attribute Eta_beta numeric
@attribute Eig04_EA.bo. numeric
@attribute SM14_AEA.ri. numeric
@attribute nCIC numeric
@attribute D.Dtr06 numeric
@attribute Eig12_AEA.bo. numeric
@attribute SpMax3_Bh.i. numeric
@attribute piPC02 numeric
@attribute SM02_EA.bo. numeric
@attribute X5 numeric
@attribute TRS numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMin3_Bh.i. numeric
@attribute CATS2D_07_AL numeric
@attribute Eig12_EA.bo. numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax2_Bh.i. numeric
@attribute Eig15_EA.ri. numeric
@attribute nR06 numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig07_EA.bo. numeric
@attribute SpMax3_Bh.p. numeric
@attribute Yindex numeric
@attribute SpMin3_Bh.e. numeric
@attribute piPC03 numeric
@attribute Eig15_AEA.ri. numeric
@attribute piPC01 numeric
@attribute SCBO numeric
@attribute Eig15_EA numeric
@attribute SM09_AEA.dm. numeric
@attribute X5sol numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpAD_EA.bo. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.ri. numeric
@attribute SM07_AEA.dm. numeric
@attribute SNar numeric
@attribute Xt numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig06_EA.bo. numeric
@attribute IC4 numeric
@attribute D.Dtr09 numeric
@attribute Eig12_EA numeric
@attribute SM06_AEA.dm. numeric
@attribute IDDE numeric
@attribute SM04_AEA.bo. numeric
@attribute Eig13_EA.bo. numeric
@attribute Wap numeric
@attribute SM02_AEA.bo. numeric
@attribute X3 numeric
@attribute MPC05 numeric
@attribute TPC numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig13_EA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute GGI7 numeric
@attribute X1Mad numeric
@attribute pXC50 numeric

@data
{1 0.719,2 -0.952,3 2.781,4 2.519,5 2.519,6 23,7 0.271,8 0.389,9 37.5,10 3.298,11 3.298,12 4,13 246.033,14 2.118,15 3.841,16 4.301,17 4.987,18 7.04,19 23,20 3.813,21 1.794,22 3,23 0.927,24 3.808,25 3.841,26 -0.705,27 3,28 1.901,29 1.908,30 3.753,31 0.89,32 1.82,33 4.932,34 0.295,35 3.701,36 39.5,37 -0.705,38 -0.705,39 7.375,40 1.893,41 58.153,42 2.5,43 1.448,44 0.491,45 0.463,46 0.491,47 19.356,48 0.227,49 1.031,50 2.026,51 4.402,53 0.618,54 0.618,55 3.539,56 7.44,57 0.679,58 5825,59 4.911,60 9.441,61 4.673,62 6.817,63 0.171,64 2.865,65 1.27,66 1.27,67 0.246,68 11.874,69 4.071}
{0 CHEMBL1077010,1 3.045,2 2.101,3 3.946,4 3.328,5 3.328,6 33,7 0.192,8 0.298,9 71.5,10 3.392,11 3.392,12 4,13 599.122,14 3.385,15 3.923,16 4.949,17 5.638,18 14.407,19 37,20 3.92,21 1.776,22 25,23 2.654,24 3.887,25 3.95,26 1.763,27 3,28 3.314,29 3.161,30 3.737,31 0.537,32 1.817,33 5.303,34 2.8,35 4.489,36 88,37 1.818,38 1.818,39 14.407,40 1.999,41 126.267,42 3.545,43 3.014,44 2.044,45 1.97,46 2.044,47 44.506,48 0.15,49 3.168,50 3.272,51 6.484,53 2.185,54 2.185,55 5.761,56 8.242,57 2.345,58 148788,59 5.768,60 23.994,61 5.252,62 9.125,63 0.059,64 3.967,65 5.671,66 5.671,67 2.745,68 31.081,69 6.631}
{0 CHEMBL108183,1 1.842,2 0.668,3 3.185,4 2.931,5 2.931,6 23,7 0.182,8 0.286,9 42,10 3.298,11 3.298,12 4,13 371.086,14 2.5,15 3.901,16 4.425,17 5.112,18 8.02,19 23,20 3.933,21 1.794,22 11,23 1.5,24 3.862,25 3.96,26 0.564,27 3,28 2.383,29 2.365,30 3.753,31 0.502,32 1.824,33 4.918,34 1.578,35 3.892,36 48,37 0.559,38 0.559,39 8.708,40 1.905,41 69.831,42 2.5,43 2,44 1,45 1,46 1,47 24.561,48 0.202,49 1.982,50 2.752,51 5.144,53 1,54 1,55 4.183,56 7.592,57 1.323,58 20402,59 5.127,60 12.473,61 4.644,62 7.558,63 0.114,64 3.443,65 2.136,66 2.136,67 0.618,68 15.53,69 4.301}
{0 CHEMBL108202,1 1.674,2 0.465,3 3.365,4 2.776,5 2.776,6 20,7 0.163,8 0.261,9 33,10 2.945,11 2.945,12 4,13 248.648,14 2,15 3.929,16 4.227,17 4.913,18 7.039,19 20,20 3.916,21 1.592,22 7,23 0.986,24 3.885,25 3.959,26 0.394,27 2,28 1.943,29 2.432,30 3.757,31 0.435,32 1.638,33 4.577,34 1.394,35 3.784,36 43,37 0.403,38 0.403,39 7.301,40 1.848,41 62.383,42 2.038,43 1.866,44 0.905,45 0.867,46 0.905,47 24.561,48 0.202,49 1.903,50 2.459,51 5.471,53 0.933,54 0.933,55 4.793,56 7.49,57 0.931,58 25168,59 5.053,60 11.823,61 4.489,62 7.632,63 0.112,64 3.414,65 2.136,66 2.136,67 0.543,68 15.529,69 4.174}
{0 CHEMBL108294,1 2.026,2 0.871,3 3.096,4 3.048,5 3.048,6 12,7 0.267,8 0.418,9 41,10 3.171,11 3.171,12 2,13 323.443,14 2.5,15 3.885,16 4.344,17 5.03,18 6.696,19 12,20 3.921,21 1.796,22 11,23 1.488,24 3.845,25 3.949,26 0.704,27 2,28 2.499,29 2.092,30 3.742,31 0.74,32 1.841,33 4.779,34 1.72,35 3.912,36 49,37 0.708,38 0.708,39 6.696,40 1.963,41 67.536,42 2.5,43 2,44 1,45 1,46 1,47 24.038,48 0.204,49 2.329,50 2.32,51 5.498,53 1,54 1,55 4.865,56 7.61,57 1.269,58 9514,59 5.142,60 12.224,61 4.419,62 7.036,63 0.118,64 3.28,65 2.136,66 2.136,67 0.856,68 17.211,69 8.347}
{0 CHEMBL110995,1 1.902,2 0.808,3 3.094,4 3.04,5 3.04,6 12,7 0.267,8 0.418,9 40.5,10 3.171,11 3.171,12 2,13 313.337,14 2.5,15 3.885,16 4.331,17 5.017,18 6.516,19 12,20 3.921,21 1.796,22 10,23 1.449,24 3.845,25 3.949,26 0.45,27 2,28 2.467,29 2.088,30 3.742,31 0.739,32 1.841,33 4.771,34 1.428,35 3.892,36 48,37 0.474,38 0.474,39 6.516,40 1.963,41 65.97,42 2.5,43 2,44 1,45 1,46 1,47 23.345,48 0.207,49 2.299,50 2.318,51 5.436,53 1,54 1,55 4.705,56 7.601,57 1.199,58 9038,59 5.124,60 12.124,61 4.394,62 6.992,63 0.122,64 3.278,65 2.136,66 2.136,67 0.793,68 16.706,69 4.921}
{0 CHEMBL111705,1 2.261,2 0.977,3 3.132,4 3.069,5 3.069,6 12,7 0.268,8 0.42,9 41.5,10 3.171,11 3.171,12 2,13 333.549,14 2.5,15 3.886,16 4.369,17 5.056,18 6.82,19 12,20 3.922,21 1.796,22 12,23 1.5,24 3.845,25 3.95,26 0.794,27 2,28 2.5,29 2.145,30 3.742,31 0.744,32 1.841,33 4.787,34 1.802,35 3.932,36 50,37 0.795,38 0.795,39 6.82,40 1.963,41 69.435,42 2.708,43 2,44 1,45 1,46 1,47 24.444,48 0.202,49 2.43,50 2.337,51 5.446,53 1,54 1,55 4.735,56 7.644,57 1.403,58 9992,59 5.17,60 12.323,61 4.443,62 7.079,63 0.115,64 3.296,65 2.266,66 2.266,67 0.981,68 17.577,69 7.155}
{0 CHEMBL122575,1 0.787,2 -0.826,3 2.866,4 2.639,5 2.639,6 16,7 0.207,8 0.329,9 33.75,10 3.03,11 3.03,12 3,13 190.409,14 1.751,15 3.868,16 4.159,17 4.844,18 5.483,19 16,20 3.903,21 1.749,22 10,23 0.551,24 3.84,25 3.931,26 -0.628,27 2,28 1.399,29 1.873,30 3.685,31 0.559,32 1.783,33 4.625,34 0.4,35 3.638,36 37,37 -0.62,38 -0.62,39 5.483,40 1.939,41 53.493,42 2.13,43 0.997,44 0.029,45 0.027,46 0.029,47 18.205,48 0.234,49 0.919,50 2.079,51 4.942,53 0.461,54 0.461,55 3.609,56 7.359,57 0.036,58 10253,59 4.875,60 9.458,61 4.263,62 7.022,63 0.154,64 2.915,65 0.074,66 0.074,67 0.392,68 11.932,69 5.796}
{0 CHEMBL122983,1 0.919,2 -0.606,3 2.915,4 2.677,5 2.677,6 16,7 0.199,8 0.318,9 35,10 3.332,11 3.332,12 3,13 217.898,14 2.13,15 3.892,16 4.248,17 4.934,18 5.887,19 16,20 3.912,21 1.764,22 13,23 1.096,24 3.86,25 3.942,26 -0.479,27 2,28 1.751,29 2.079,30 3.696,31 0.53,32 1.799,33 4.71,34 0.513,35 3.714,36 40,37 -0.488,38 -0.488,39 5.887,40 1.969,41 58.57,42 2.442,43 1.445,44 0.457,45 0.446,46 0.457,47 19.592,48 0.226,49 1.397,50 2.614,51 4.762,53 0.867,54 0.867,55 4.349,56 7.523,57 0.549,58 13964,59 4.984,60 10.588,61 4.344,62 7.259,63 0.141,64 3.426,65 1.043,66 1.043,67 0.424,68 13.224,69 4}
{0 CHEMBL125796,1 0.5,2 -1.326,3 2.546,4 2.079,5 2.079,6 14,7 0.237,8 0.368,9 24.25,10 2.306,11 2.306,12 3,13 74.362,14 1,15 3.643,16 3.861,17 4.543,18 5.325,19 16,20 3.897,21 1.494,22 5,23 -0.396,24 3.589,25 3.927,26 -1,27 1,28 0.789,29 1.5,30 3.45,31 0.663,32 1.548,33 4.259,35 3.434,36 30,37 -1,38 -1,39 5.325,40 1.756,41 42.77,42 1.675,43 0.388,44 -0.604,45 -0.593,46 -0.604,47 16.008,48 0.25,49 0.637,50 1.899,51 4.919,53 -0.321,54 -0.321,55 3.789,56 7.087,57 -0.77,58 7689,59 4.677,60 7.917,61 4.277,62 6.828,63 0.178,64 2.903,65 -1.332,66 -1.332,67 0.207,68 10.238,69 5.313}
{0 CHEMBL127027,1 -0.636,2 -2,3 2.031,4 1.476,5 1.476,6 8,7 0.365,8 0.534,9 15.25,10 1.904,11 1.904,12 2,15 3.57,16 3.434,17 4.111,18 3.857,19 10,20 3.606,21 1.448,22 3,23 -1.332,24 3.512,25 3.653,26 -1.657,28 -0.338,29 0.923,30 3.291,31 1.12,32 1.499,33 3.761,34 -0.719,35 3.091,36 21,37 -1.697,38 -1.697,39 3.857,40 1.728,41 29.641,42 0.628,43 -0.508,44 -1.433,45 -1.321,46 -1.433,47 11.444,48 0.296,49 -0.501,50 1.241,51 4.653,53 -1.148,54 -1.148,55 3.572,56 6.764,57 -1.528,58 2519,59 4.357,60 5.906,61 4.025,62 6.082,63 0.237,64 2.313,65 -3.564,66 -3.564,67 0.103,68 7.698,69 5.398}
{0 CHEMBL127085,1 2.236,2 1.094,3 3.241,4 3.015,5 3.015,6 24,7 0.176,8 0.271,9 45.25,10 3.437,11 3.437,12 5,13 292.366,14 2.596,15 3.933,16 4.575,17 5.263,18 9.863,19 28,20 3.991,21 1.711,22 13,23 1.5,24 3.905,25 4.026,26 0.742,27 3,28 2.5,29 2.427,30 3.841,31 0.501,32 1.743,33 5.125,34 1.742,35 3.98,36 52.5,37 0.757,38 0.757,39 11.242,40 1.898,41 77.232,42 2.761,43 2.057,44 1.085,45 1.046,46 1.085,47 25.948,48 0.196,49 2.266,50 2.561,51 5.537,53 1.213,54 1.213,55 4.615,56 7.818,57 1.484,58 57702,59 5.248,60 13.517,61 5.017,62 8.43,63 0.118,64 3.269,65 2.409,66 2.409,67 0.63,68 15.656,69 4.939}
{0 CHEMBL131760,1 1.953,2 0.745,3 3.508,4 3.158,5 3.158,6 10,7 0.25,8 0.398,9 38,10 3.192,11 3.192,12 2,13 178.776,14 2.5,15 3.887,16 4.35,17 5.037,18 6.47,19 10,20 3.89,21 1.738,22 12,23 1.442,24 3.844,25 3.927,26 0.628,27 1,28 2.334,29 2.607,30 3.665,31 0.674,32 1.785,33 4.582,34 1.645,35 3.892,36 48,37 0.627,38 0.627,39 6.47,40 1.969,41 69.866,42 2.511,43 1.994,44 0.991,45 0.978,46 0.991,47 23.868,48 0.205,49 2.193,50 2.902,51 5.137,53 1,54 1,55 4.836,56 7.723,57 1.172,58 14067,59 5.19,60 12.146,61 4.394,62 7.289,63 0.109,64 3.743,65 2.364,66 2.364,67 0.908,68 17.125,69 4.125}
{0 CHEMBL13236,1 0.5,2 -1.5,3 2.5,4 2.104,5 2.104,6 12,7 0.256,8 0.409,9 29.75,10 2.912,11 2.912,12 2,13 158.445,14 1,15 3.685,16 4.007,17 4.691,18 3.899,19 12,20 3.917,21 1.501,22 1,23 -1.143,24 3.642,25 3.949,26 -1,27 2,28 0.611,29 1.5,30 3.423,31 0.682,32 1.548,33 4.431,35 3.466,36 31,37 -1,38 -1,39 3.899,40 1.801,41 43.978,42 1.018,44 -1,45 -0.978,46 -1,47 14.216,48 0.265,49 0.5,50 2.005,51 4.559,53 -0.844,54 -0.844,55 3.69,56 7.127,57 -1.234,58 3445,59 4.654,60 6.941,61 3.829,62 6.19,63 0.174,64 2.891,65 -2.039,66 -2.039,67 0.267,68 9.645,69 3.357}
{0 CHEMBL13357,1 0.5,2 -1.425,3 2.831,4 2.416,5 2.416,6 16,7 0.241,8 0.371,9 31.25,10 2.826,11 2.826,12 3,13 181.643,14 1.177,15 3.609,16 4.094,17 4.779,18 5.339,19 18,20 3.879,21 1.533,22 6,23 -0.338,24 3.607,25 3.902,26 -0.984,27 3,28 0.799,29 1.941,30 3.484,31 0.677,32 1.539,33 4.644,35 3.526,36 33,37 -1,38 -1,39 5.505,40 1.69,41 47.315,42 1.255,43 0.46,44 -0.512,45 -0.497,46 -0.512,47 16.008,48 0.25,49 0.564,50 2.163,51 4.681,53 -0.248,54 -0.248,55 4.005,56 7.25,57 -0.627,58 7857,59 4.745,60 7.967,61 4.277,62 6.853,63 0.17,64 3.016,65 -1.493,66 -1.493,67 0.295,68 9.975,69 6.469}
{0 CHEMBL134167,1 0.885,2 -0.501,3 3.502,4 2.952,5 2.952,7 0.752,8 1.171,9 30.25,10 3.18,11 3.18,14 2.077,15 3.816,16 4.205,17 4.89,18 4.53,20 3.828,21 1.687,22 12,23 0.829,24 3.768,25 3.868,26 -0.43,28 1.949,29 2.602,30 3.624,31 2.103,32 1.731,33 4.317,34 0.64,35 3.738,36 41,37 -0.414,38 -0.414,39 4.074,40 1.917,41 61.073,42 2.236,43 1.567,44 0.527,45 0.531,46 0.527,47 18.898,48 0.23,49 1,50 2.765,51 4.864,53 0.696,54 0.696,55 4.52,56 7.751,57 0.678,58 4478,59 5.1,60 11.377,61 4.078,62 6.557,63 0.129,64 3.666,65 1.252,66 1.252,67 1,68 15.205,69 4.854}
{0 CHEMBL134927,1 0.774,2 -0.767,3 3.242,4 2.628,5 2.628,6 18,7 0.229,8 0.355,9 35,10 2.897,11 2.897,12 3,13 272.845,14 1.761,15 3.782,16 4.205,17 4.89,18 6.272,19 18,20 3.9,21 1.665,22 7,23 0.501,24 3.749,25 3.928,26 -0.606,27 3,28 1.268,29 2.457,30 3.6,31 0.644,32 1.696,33 4.625,34 0.354,35 3.689,36 39,37 -0.622,38 -0.622,39 6.272,40 1.874,41 55.826,42 2.5,43 0.922,44 -0.033,45 -0.032,46 -0.033,47 18.898,48 0.23,49 1,50 2.485,51 5.087,53 0.405,54 0.405,55 4.236,56 7.396,57 -0.04,58 11423,59 4.92,60 9.13,61 4.419,62 7.135,63 0.143,64 3.312,65 -0.084,66 -0.084,67 0.443,68 12.465,69 6.337}
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{0 CHEMBL2040983,1 2.235,2 1.209,3 3.356,4 3.127,5 3.127,6 28,7 0.151,8 0.239,9 47,10 3.292,11 3.292,12 5,13 555.469,14 2.539,15 3.93,16 4.516,17 5.204,18 9.498,19 30,20 3.939,21 1.877,22 8,23 1.5,24 3.906,25 3.973,26 0.993,27 5,28 2.5,29 2.598,30 3.845,31 0.409,32 1.904,33 4.999,34 2,35 3.97,36 52,37 1,38 1,39 9.733,40 1.975,41 75.766,42 2.569,43 2.015,44 1.091,45 1,46 1.091,47 27.046,48 0.192,49 2.5,50 2.849,51 5.47,53 1.217,54 1.217,55 4.586,56 7.693,57 1.5,58 60154,59 5.218,60 13.448,61 4.844,62 8.369,63 0.104,64 3.611,65 2.76,66 2.76,67 0.63,68 16.576,69 4.123}
{0 CHEMBL20461,3 0.5,4 0.594,5 0.594,6 6,7 0.431,8 0.654,9 12.25,10 1.5,11 1.5,12 1,13 36.108,15 2.976,16 3.114,17 3.784,18 1.659,19 6,20 3.454,21 0.894,24 2.96,25 3.494,27 1,29 -1,30 2.871,31 1.209,32 0.914,33 3.458,35 2.708,36 14,39 1.659,40 1.13,41 19.598,42 -0.813,47 7.049,48 0.377,50 -0.695,51 3.732,55 2.914,56 6.119,58 412,59 3.818,60 2.877,61 2.833,62 4.673,63 0.321,64 0.725,67 0.056,68 5.218,69 7.398}
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{0 CHEMBL287614,1 1.424,2 0.309,3 3.38,4 2.877,5 2.877,6 18,7 0.188,8 0.303,9 37.75,10 3.048,11 3.048,12 3,13 386.924,14 2,15 3.908,16 4.35,17 5.037,18 7.027,19 18,20 3.907,21 1.792,22 7,23 1,24 3.866,25 3.959,26 0.276,27 3,28 1.974,29 2.412,30 3.743,31 0.492,32 1.834,33 4.623,34 1.269,35 3.829,36 45,37 0.281,38 0.281,39 7.95,40 1.978,41 64.601,42 2.5,43 1.646,44 0.688,45 0.654,46 0.688,47 22.364,48 0.211,49 1.692,50 2.714,51 5.299,53 1,54 1,55 4.537,56 7.634,57 0.755,58 17621,59 5.091,60 11.1,61 4.466,62 7.389,63 0.12,64 3.538,65 1.688,66 1.688,67 0.583,68 14.248,69 4.699}
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