@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL6007

@attribute molecule_id {CHEMBL105712,CHEMBL1076350,CHEMBL1076467,CHEMBL1079442,CHEMBL1079443,CHEMBL1079444,CHEMBL1079559,CHEMBL1079736,CHEMBL1079737,CHEMBL1079738,CHEMBL1080129,CHEMBL1080805,CHEMBL1080806,CHEMBL1080807,CHEMBL1081019,CHEMBL1081905,CHEMBL1082280,CHEMBL1082283,CHEMBL1082844,CHEMBL1083145,CHEMBL1083146,CHEMBL1083489,CHEMBL1083492,CHEMBL1083493,CHEMBL1083792,CHEMBL1083793,CHEMBL1083797,CHEMBL1083798,CHEMBL1083802,CHEMBL1083803,CHEMBL1083804,CHEMBL1084097,CHEMBL1084098,CHEMBL1084103,CHEMBL1084370,CHEMBL1084371,CHEMBL1084372,CHEMBL1084373,CHEMBL1084374,CHEMBL1084376,CHEMBL1084377,CHEMBL1084378,CHEMBL1084610,CHEMBL1084611,CHEMBL1084637,CHEMBL1084638,CHEMBL1084639,CHEMBL1084640,CHEMBL1084643,CHEMBL1084644,CHEMBL1084857,CHEMBL1085098,CHEMBL1085099,CHEMBL1085100,CHEMBL1085101,CHEMBL1085102,CHEMBL1085103,CHEMBL1085104,CHEMBL1085358,CHEMBL1085708,CHEMBL1085709,CHEMBL1085832,CHEMBL1085834,CHEMBL1085849,CHEMBL1085863,CHEMBL1085943,CHEMBL1085944,CHEMBL1085946,CHEMBL1085947,CHEMBL1085948,CHEMBL1086081,CHEMBL1086082,CHEMBL1086092,CHEMBL1086096,CHEMBL1086097,CHEMBL1086310,CHEMBL1086338,CHEMBL1086339,CHEMBL1086371,CHEMBL1086445,CHEMBL1086446,CHEMBL1086447,CHEMBL1086530,CHEMBL1086559,CHEMBL1086586,CHEMBL1086587,CHEMBL1086588,CHEMBL1086589,CHEMBL1087395,CHEMBL1087396,CHEMBL1087648,CHEMBL1087766,CHEMBL1087767,CHEMBL1088296,CHEMBL1088297,CHEMBL123040,CHEMBL1255819,CHEMBL1255904,CHEMBL1255994,CHEMBL1255995,CHEMBL1255996,CHEMBL1256101,CHEMBL1256161,CHEMBL1256162,CHEMBL1256239,CHEMBL1256240,CHEMBL1256241,CHEMBL1256242,CHEMBL1256310,CHEMBL1256311,CHEMBL1256339,CHEMBL1256377,CHEMBL1258208,CHEMBL1258323,CHEMBL1258324,CHEMBL1258325,CHEMBL1364775,CHEMBL1388908,CHEMBL1469047,CHEMBL1492420,CHEMBL151649,CHEMBL1567258,CHEMBL1818209,CHEMBL1818210,CHEMBL1818214,CHEMBL1818217,CHEMBL1818218,CHEMBL184238,CHEMBL191534,CHEMBL1939822,CHEMBL1939823,CHEMBL1939824,CHEMBL1939825,CHEMBL1939826,CHEMBL1939827,CHEMBL1939828,CHEMBL1939829,CHEMBL1939830,CHEMBL1939831,CHEMBL1939832,CHEMBL1939833,CHEMBL1939834,CHEMBL1939835,CHEMBL1939836,CHEMBL1939972,CHEMBL1939973,CHEMBL1939974,CHEMBL1939975,CHEMBL1939976,CHEMBL1939977,CHEMBL1939978,CHEMBL1939979,CHEMBL1939980,CHEMBL1939981,CHEMBL1939982,CHEMBL1939983,CHEMBL1939984,CHEMBL1939985,CHEMBL1939986,CHEMBL1939987,CHEMBL1939988,CHEMBL1939989,CHEMBL1939990,CHEMBL1939991,CHEMBL1944838,CHEMBL1944839,CHEMBL1944845,CHEMBL1944846,CHEMBL1944847,CHEMBL1945689,CHEMBL1946119,CHEMBL1946120,CHEMBL1946121,CHEMBL1947272,CHEMBL1947275,CHEMBL2071491,CHEMBL2071493,CHEMBL2071494,CHEMBL2071495,CHEMBL2071497,CHEMBL2071498,CHEMBL2071502,CHEMBL2071503,CHEMBL2071504,CHEMBL2071505,CHEMBL2071506,CHEMBL2071507,CHEMBL2071508,CHEMBL2071509,CHEMBL2071510,CHEMBL2071511,CHEMBL2071512,CHEMBL2071513,CHEMBL2071584,CHEMBL2071585,CHEMBL2071586,CHEMBL2071587,CHEMBL2071588,CHEMBL2071589,CHEMBL2071590,CHEMBL2071591,CHEMBL2071592,CHEMBL2071593,CHEMBL2071595,CHEMBL2071599,CHEMBL2071600,CHEMBL2071601,CHEMBL23293,CHEMBL233248,CHEMBL254550,CHEMBL256087,CHEMBL256368,CHEMBL256738,CHEMBL258405,CHEMBL258455,CHEMBL281202,CHEMBL293492,CHEMBL29411,CHEMBL3,CHEMBL356479,CHEMBL359965,CHEMBL366603,CHEMBL401514,CHEMBL402589,CHEMBL441472,CHEMBL469537,CHEMBL469753,CHEMBL470670,CHEMBL482477,CHEMBL513789,CHEMBL518292,CHEMBL550762,CHEMBL55285,CHEMBL589794,CHEMBL589866,CHEMBL589870,CHEMBL589871,CHEMBL589873,CHEMBL589875,CHEMBL590846,CHEMBL590847,CHEMBL593902,CHEMBL594133,CHEMBL603735,CHEMBL721,CHEMBL964}
@attribute C.037 numeric
@attribute D.Dtr11 numeric
@attribute nR11 numeric
@attribute D.Dtr07 numeric
@attribute nR07 numeric
@attribute nArC.N numeric
@attribute Eta_beta_A numeric
@attribute SpDiam_EA.ri. numeric
@attribute Eig01_EA.ri. numeric
@attribute SpMax_EA.ri. numeric
@attribute Eta_betaP_A numeric
@attribute Eig01_AEA.dm. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SIC4 numeric
@attribute SaasC numeric
@attribute RCI numeric
@attribute RFD numeric
@attribute SdO numeric
@attribute NdssC numeric
@attribute SpMax1_Bh.m. numeric
@attribute Eig02_AEA.dm. numeric
@attribute SpMAD_AEA.ed. numeric
@attribute P_VSA_MR_7 numeric
@attribute SM10_EA.ri. numeric
@attribute SM08_EA.ri. numeric
@attribute SM11_EA.ri. numeric
@attribute CIC4 numeric
@attribute O.058 numeric
@attribute GGI5 numeric
@attribute nPyridines numeric
@attribute NdO numeric
@attribute SpMax2_Bh.s. numeric
@attribute GGI3 numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_EA.ri. numeric
@attribute SIC5 numeric
@attribute SM09_EA.ri. numeric
@attribute Eig05_EA.ri. numeric
@attribute SM15_EA.ri. numeric
@attribute SM07_EA.ri. numeric
@attribute SpMAD_EA.ed. numeric
@attribute Eta_sh_p numeric
@attribute Rbrid numeric
@attribute Eta_B_A numeric
@attribute GNar numeric
@attribute X4A numeric
@attribute CIC5 numeric
@attribute ARR numeric
@attribute GATS2e numeric
@attribute Mi numeric
@attribute X5A numeric
@attribute SpMAD_EA numeric
@attribute Eig01_AEA.ri. numeric
@attribute SpMax_AEA.ri. numeric
@attribute HNar numeric
@attribute X0A numeric
@attribute BIC4 numeric
@attribute P_VSA_m_3 numeric
@attribute nCbH numeric
@attribute JGI3 numeric
@attribute Hy numeric
@attribute JGI1 numeric
@attribute nCIR numeric
@attribute BIC5 numeric
@attribute pXC50 numeric

@data
{7 1.3,8 4.807,9 2.807,10 2.807,11 0.75,12 3.635,13 3.635,14 0.856,15 0.678,16 1,18 10.881,19 1,20 3.919,21 2.215,22 1.468,23 39.149,24 10.374,25 8.371,26 11.328,27 0.588,28 1,29 0.153,31 1,32 4.742,33 0.438,34 5.635,35 12.409,36 13.404,37 14.459,38 0.856,39 9.241,40 0.103,41 15.473,42 7.129,43 3.484,44 0.208,46 0.016,47 1.888,48 0.145,49 0.588,50 0.6,51 0.795,52 1.107,53 0.101,54 1.384,55 3.789,56 3.789,57 1.765,58 0.74,59 0.797,60 25.145,61 5,62 0.04,63 -0.768,64 0.15,65 1,66 0.797,67 7.523}
{0 CHEMBL1076350,7 1.315,8 4.729,9 2.729,10 2.729,11 0.63,12 3.789,13 3.789,14 0.86,15 2.449,16 1,18 12.173,19 1,20 4.02,21 3.317,22 1.527,23 95.083,24 10.691,25 8.841,26 11.536,27 0.737,28 1,29 0.604,30 1,31 1,32 5.012,33 1.375,34 5.789,35 12.587,36 13.495,37 14.512,38 0.86,39 9.573,40 1.699,41 15.453,42 7.591,43 4.099,44 0.156,46 0.024,47 2.067,48 0.124,49 0.737,50 0.48,51 0.718,52 1.124,53 0.082,54 1.472,55 3.922,56 3.922,57 1.944,58 0.706,59 0.812,60 36.145,61 4,62 0.04,63 -0.686,64 0.18,65 3,66 0.812,67 6.222}
{0 CHEMBL1076467,7 1.25,8 5.04,9 3.04,10 3.04,11 0.571,12 3.679,13 3.679,14 0.914,15 2.4,16 1.095,17 0.095,18 12.445,19 1,20 4.087,21 3.168,22 1.502,23 16.786,24 11.534,25 9.5,26 12.524,27 0.491,28 1,29 0.528,30 1,31 1,32 6.471,33 1.542,34 5.679,35 13.634,36 14.679,37 15.776,38 0.914,39 10.384,40 2.067,41 16.848,42 8.248,43 4.08,44 0.051,45 1,46 0.02,47 2.137,48 0.121,49 0.491,50 0.516,51 0.847,52 1.133,53 0.081,54 1.474,55 4.072,56 4.072,57 2.049,58 0.691,59 0.87,60 67.828,61 3,62 0.039,63 0.917,64 0.161,65 5,66 0.87,67 4.602}
{0 CHEMBL1079442,7 1.393,8 4.877,9 2.877,10 2.877,11 0.732,12 3.789,13 3.789,14 0.885,15 4.021,16 1,18 12.569,19 1,20 4.016,21 3.317,22 1.511,23 55.934,24 11.298,25 9.35,26 12.213,27 0.641,28 1,29 0.743,30 1,31 1,32 5.01,33 1.688,34 5.789,35 13.295,36 14.267,37 15.322,38 0.896,39 10.156,40 1.885,41 16.324,42 8.081,43 4.103,44 0.077,46 0.02,47 2.137,48 0.123,49 0.583,50 0.581,51 0.717,52 1.117,53 0.08,54 1.478,55 3.928,56 3.928,57 2.049,58 0.691,59 0.834,60 36.145,61 9,62 0.039,63 -0.778,64 0.145,65 4,66 0.843,67 4.602}
{0 CHEMBL1079443,7 1.155,8 5.312,9 3.312,10 3.312,11 0.5,12 4.472,13 4.472,14 0.782,15 0.692,16 1,18 12.408,19 1,20 3.942,21 3.789,22 1.558,23 16.786,24 12.431,25 10.18,26 13.56,27 1.246,28 1,29 1.312,30 1,31 1,32 7.999,33 2.5,34 6.472,35 14.729,36 15.884,37 17.055,38 0.782,39 11.253,40 2.229,41 18.222,42 8.96,43 4.648,44 0.203,46 0.039,47 1.957,48 0.118,49 1.246,50 0.387,51 0.438,52 1.149,53 0.076,54 1.528,55 4.313,56 4.313,57 1.776,58 0.732,59 0.753,60 81.025,61 4,62 0.054,63 -0.717,64 0.274,65 3,66 0.753,67 4.602}
{0 CHEMBL1079444,7 1.155,8 5.317,9 3.317,10 3.317,11 0.5,12 4.472,13 4.472,14 0.809,15 0.623,16 1,18 12.487,19 1,20 3.943,21 3.79,22 1.559,23 16.786,24 12.438,25 10.184,26 13.568,27 1.095,28 1,29 1.257,30 1,31 1,32 7.999,33 2.625,34 6.472,35 14.739,36 15.895,37 17.068,38 0.809,39 11.258,40 2.227,41 18.237,42 8.963,43 4.656,44 0.203,46 0.039,47 1.957,48 0.117,49 1.095,50 0.387,51 0.438,52 1.149,53 0.077,54 1.532,55 4.319,56 4.319,57 1.776,58 0.732,59 0.778,60 81.025,61 4,62 0.057,63 -0.717,64 0.274,65 3,66 0.778,67 4.602}
{0 CHEMBL1079559,7 1.181,8 5.026,9 3.026,10 3.026,11 0.5,12 4.472,13 4.472,14 0.844,15 -2.007,16 1,18 12.186,19 1,20 3.94,21 4.46,22 1.558,23 16.786,24 11.757,25 9.693,26 12.773,27 0.852,28 1,29 1.312,30 1,31 1,32 8.509,33 2.5,34 6.472,35 13.866,36 14.916,37 16.001,38 0.844,39 10.639,40 2.185,41 17.069,42 8.504,43 4.648,44 0.163,46 0.039,47 1.957,48 0.118,49 0.852,50 0.387,51 0.427,52 1.175,53 0.076,54 1.528,55 4.28,56 4.28,57 1.776,58 0.732,59 0.804,60 125.905,61 4,62 0.054,63 -0.615,64 0.274,65 3,66 0.804,67 4.602}
{0 CHEMBL1079736,7 1.181,8 5.026,9 3.026,10 3.026,11 0.5,12 4.472,13 4.472,14 0.877,15 -2.329,16 1,18 12.206,19 1,20 3.941,21 4.461,22 1.559,23 16.786,24 11.769,25 9.7,26 12.788,27 0.671,28 1,29 1.257,30 1,31 1,32 8.509,33 2.625,34 6.472,35 13.882,36 14.935,37 16.021,38 0.877,39 10.648,40 2.159,41 17.091,42 8.508,43 4.656,44 0.163,46 0.039,47 1.957,48 0.117,49 0.671,50 0.387,51 0.427,52 1.175,53 0.077,54 1.532,55 4.28,56 4.28,57 1.776,58 0.732,59 0.836,60 125.905,61 4,62 0.057,63 -0.615,64 0.274,65 3,66 0.836,67 4.602}
{0 CHEMBL1079737,7 1.24,8 5.026,9 3.026,10 3.026,11 0.558,12 4.472,13 4.472,14 0.851,15 -0.025,16 1,18 12.178,19 1,20 3.998,21 3.788,22 1.541,23 55.934,24 11.44,25 9.398,26 12.442,27 0.799,28 1,29 1.014,30 1,31 1,32 7.999,33 2,34 6.472,35 13.543,36 14.59,37 15.682,38 0.851,39 10.309,40 1.78,41 16.753,42 8.183,43 4.41,44 0.16,46 0.032,47 2.005,48 0.118,49 0.799,50 0.429,51 0.489,52 1.151,53 0.078,54 1.505,55 4.28,56 4.28,57 1.846,58 0.721,59 0.808,60 81.025,61 4,62 0.05,63 -0.646,64 0.232,65 3,66 0.808,67 4.602}
{0 CHEMBL1079738,7 1.24,8 5.026,9 3.026,10 3.026,11 0.558,12 4.472,13 4.472,14 0.887,15 -0.151,16 1,18 12.195,19 1,20 4.001,21 3.789,22 1.541,23 55.934,24 11.444,25 9.401,26 12.446,27 0.604,28 1,29 1.014,30 1,31 1,32 7.999,33 2.25,34 6.472,35 13.546,36 14.593,37 15.685,38 0.887,39 10.312,40 1.765,41 16.756,42 8.185,43 4.408,44 0.16,46 0.032,47 2.005,48 0.12,49 0.604,50 0.429,51 0.489,52 1.151,53 0.077,54 1.505,55 4.28,56 4.28,57 1.846,58 0.721,59 0.842,60 81.025,61 4,62 0.056,63 -0.646,64 0.232,65 3,66 0.842,67 5.432}
{0 CHEMBL1080129,7 1.24,8 4.889,9 2.889,10 2.889,11 0.558,12 4.461,13 4.461,14 0.887,15 0.157,16 1,18 12.201,19 1,20 4.014,21 3.788,22 1.541,23 55.934,24 11.291,25 9.32,26 12.241,27 0.604,28 1,29 0.847,30 1,31 1,32 7.999,33 2,34 6.461,35 13.306,36 14.298,37 15.346,38 0.887,39 10.185,40 1.873,41 16.361,42 8.119,43 4.403,44 0.16,46 0.032,47 2.005,48 0.122,49 0.604,50 0.429,51 0.489,52 1.151,53 0.079,54 1.504,55 4.18,56 4.18,57 1.846,58 0.721,59 0.842,60 81.025,61 4,62 0.05,63 -0.646,64 0.232,65 3,66 0.842,67 5.699}
{0 CHEMBL1080805,7 1.212,8 5.312,9 3.312,10 3.312,11 0.558,12 3.789,13 3.789,14 0.783,15 3.166,16 1,18 12.403,19 1,20 4.014,21 3.537,22 1.543,23 55.934,24 12.213,25 9.962,26 13.343,27 1.226,28 1,29 0.903,30 1,31 1,32 5.01,33 1.875,34 5.789,35 14.521,36 15.682,37 16.863,38 0.783,39 11.026,40 1.881,41 18.039,42 8.731,43 4.394,44 0.202,46 0.032,47 2.005,48 0.124,49 1.226,50 0.429,51 0.674,52 1.128,53 0.078,54 1.5,55 4.313,56 4.313,57 1.846,58 0.721,59 0.751,60 36.145,61 4,62 0.047,63 -0.76,64 0.232,65 3,66 0.751,67 5.796}
{0 CHEMBL1080806,7 1.212,8 5.317,9 3.317,10 3.317,11 0.558,12 3.79,13 3.79,14 0.811,15 3.109,16 1,18 12.482,19 1,20 4.014,21 3.541,22 1.541,23 55.934,24 12.222,25 9.968,26 13.354,27 1.066,28 1,29 0.847,30 1,31 1,32 5.01,33 2,34 5.79,35 14.534,36 15.697,37 16.879,38 0.811,39 11.033,40 1.881,41 18.057,42 8.734,43 4.403,44 0.202,46 0.032,47 2.005,48 0.122,49 1.066,50 0.429,51 0.674,52 1.128,53 0.079,54 1.504,55 4.319,56 4.319,57 1.846,58 0.721,59 0.778,60 36.145,61 4,62 0.05,63 -0.76,64 0.232,65 3,66 0.778,67 5.745}
{0 CHEMBL1080807,7 1.24,8 4.872,9 2.872,10 2.872,11 0.558,12 4.46,13 4.46,14 0.851,15 0.467,16 1,18 12.181,19 1,20 4.014,21 3.788,22 1.543,23 55.934,24 11.273,25 9.31,26 12.216,27 0.799,28 1,29 0.903,30 1,31 1,32 7.999,33 1.875,34 6.46,35 13.277,36 14.263,37 15.306,38 0.851,39 10.17,40 1.873,41 16.314,42 8.112,43 4.394,44 0.16,46 0.032,47 2.005,48 0.124,49 0.799,50 0.429,51 0.489,52 1.151,53 0.078,54 1.5,55 4.17,56 4.17,57 1.846,58 0.721,59 0.808,60 81.025,61 4,62 0.047,63 -0.646,64 0.232,65 3,66 0.808,67 5.509}
{0 CHEMBL1081019,7 1.315,8 4.729,9 2.729,10 2.729,11 0.63,12 3.789,13 3.789,14 0.9,15 2.335,16 1,18 12.189,19 1,20 4.021,21 3.317,22 1.526,23 95.083,24 10.699,25 8.846,26 11.546,27 0.526,28 1,29 0.604,30 1,31 1,32 5.012,33 1.625,34 5.789,35 12.597,36 13.505,37 14.522,38 0.9,39 9.581,40 1.626,41 15.464,42 7.595,43 4.096,44 0.156,46 0.024,47 2.067,48 0.126,49 0.526,50 0.48,51 0.718,52 1.124,53 0.08,54 1.471,55 3.922,56 3.922,57 1.944,58 0.706,59 0.85,60 36.145,61 4,62 0.048,63 -0.686,64 0.18,65 3,66 0.85,67 6}
{0 CHEMBL1081905,7 1.323,8 5.026,9 3.026,10 3.026,11 0.661,12 4.472,13 4.472,14 0.877,15 1.454,16 1,18 12.574,19 1,20 3.964,21 3.789,22 1.52,23 16.786,24 11.773,25 9.72,26 12.772,27 0.696,28 1,29 1.153,30 1,31 1,32 7.999,33 2.313,34 6.472,35 13.876,36 14.919,37 16.009,38 0.887,39 10.63,40 2.196,41 17.074,42 8.483,43 4.359,44 0.084,46 0.027,47 2.077,48 0.118,49 0.642,50 0.529,51 0.462,52 1.139,53 0.077,54 1.506,55 4.28,56 4.28,57 1.948,58 0.705,59 0.829,60 81.025,61 9,62 0.047,63 -0.735,64 0.191,65 4,66 0.838,67 6}
{0 CHEMBL1082280,7 1.388,8 5.177,9 3.177,10 3.177,11 0.672,12 3.977,13 3.977,14 0.952,15 1.481,16 1.1,17 0.1,18 36.851,19 3,20 4.232,21 3.621,22 1.616,23 33.571,24 11.987,25 9.853,26 13.054,27 0.262,28 3,29 1.053,31 3,32 7.445,33 2.722,34 5.977,35 14.182,36 15.285,37 16.414,38 0.952,39 10.846,40 2.208,41 17.536,42 8.659,43 4.6,44 0.169,45 1,46 0.031,47 2.049,48 0.111,49 0.262,50 0.5,51 0.619,52 1.135,53 0.069,54 1.528,55 4.299,56 4.299,57 1.871,58 0.714,59 0.887,60 90.395,61 4,62 0.057,63 -0.2,64 0.203,65 5,66 0.887,67 6}
{0 CHEMBL1082283,7 1.197,8 5.287,9 3.287,10 3.287,11 0.579,12 3.841,13 3.841,14 0.883,15 0.002,16 1.222,17 0.222,18 22.997,19 3,20 4.014,21 3.467,22 1.629,23 9.476,24 11.998,25 9.727,26 13.139,27 0.591,28 2,29 1.081,31 2,32 7.476,33 2.424,34 5.841,35 14.327,36 15.496,37 16.682,38 0.883,39 10.798,40 1.84,41 17.863,42 8.479,43 4.554,44 0.263,45 1,46 0.035,47 1.906,48 0.102,49 0.591,50 0.3,51 0.487,52 1.133,53 0.07,54 1.518,55 4.349,56 4.349,57 1.701,58 0.745,59 0.837,60 107.933,61 3,62 0.081,63 -0.249,64 0.225,65 3,66 0.837,67 6.081}
{0 CHEMBL1082844,7 1.143,8 5.259,9 3.259,10 3.259,11 0.524,12 3.818,13 3.818,14 0.887,15 1.585,16 1.133,17 0.133,18 23.526,19 3,20 4.003,21 3.464,22 1.551,23 9.476,24 11.955,25 9.722,26 13.068,27 0.6,28 2,29 0.976,31 2,32 7.427,33 2.049,34 5.818,35 14.252,36 15.403,37 16.581,38 0.887,39 10.747,40 1.832,41 17.748,42 8.44,43 4.31,44 0.101,45 1,46 0.024,47 2.074,48 0.108,49 0.6,50 0.261,51 0.417,52 1.122,53 0.073,54 1.502,55 4.309,56 4.309,57 1.938,58 0.706,59 0.845,60 92.973,61 4,62 0.064,63 -0.338,64 0.152,65 4,66 0.845,67 5.357}
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{0 CHEMBL1256239,1 1,2 98.062,3 2,4 27.976,5 1,6 1,7 1.603,8 5.07,9 3.07,10 3.07,11 1,12 4.075,13 4.075,14 0.984,15 5.021,16 1.267,17 0.267,20 4.001,21 3.262,22 1.511,23 9.047,24 11.511,25 9.394,26 12.543,27 0.074,29 0.42,32 4.906,33 0.813,34 6.075,35 13.675,36 14.749,37 15.865,38 0.984,39 10.338,40 1.463,41 16.958,42 8.12,43 4.132,44 0.048,45 2,46 0.017,47 2.163,48 0.116,49 0.074,50 0.632,51 0.718,52 1.098,53 0.075,54 1.454,55 4.081,56 4.081,57 2.082,58 0.686,59 0.892,61 7,62 0.027,63 -0.865,64 0.132,65 6,66 0.892,67 8.796}
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{0 CHEMBL3,7 1.146,8 4.837,9 2.894,10 2.894,11 0.5,12 3.326,13 3.326,14 0.912,15 1.359,16 1,20 3.885,21 2.363,22 1.514,23 16.786,24 10.701,25 8.657,26 11.692,27 0.414,29 0.146,30 1,32 4.345,33 0.688,34 5.326,35 12.787,36 13.817,37 14.893,38 0.912,39 9.561,40 0.954,41 15.941,42 7.411,43 3.969,44 0.086,46 0.017,47 2.089,48 0.127,49 0.414,50 0.462,51 1.63,52 1.134,53 0.087,54 1.475,55 3.964,56 3.964,57 2,58 0.699,59 0.874,62 0.049,63 -0.807,64 0.115,65 2,66 0.874,67 4.77}
{0 CHEMBL356479,7 0.776,8 5.022,9 3.113,10 3.113,11 0.158,12 4.761,13 4.761,14 0.88,16 1,18 23.967,19 2,20 4.372,21 3.981,22 1.596,24 11.466,25 9.284,26 12.558,27 0.618,28 2,29 0.789,31 2,32 7.409,33 2.139,34 6.613,35 13.692,36 14.807,37 15.937,38 0.88,39 10.317,40 1.424,41 17.063,42 8.08,43 4.401,44 0.383,46 0.037,47 1.788,48 0.114,49 0.618,51 0.28,52 1.136,53 0.081,54 1.474,55 4.193,56 4.193,57 1.594,58 0.77,59 0.867,60 50.29,62 0.082,63 -0.094,64 0.289,65 1,66 0.867,67 5.523}
{0 CHEMBL359965,7 0.861,8 3.691,9 2.081,10 2.081,11 0.389,12 4.095,13 4.095,14 0.901,18 10.757,20 4.494,21 3.442,22 1.326,23 18.952,24 7.433,25 6.053,26 7.991,27 0.421,28 1,29 0.056,31 1,32 4.71,33 0.375,34 5.273,35 8.852,36 9.485,37 10.292,38 0.901,39 6.476,40 -0.531,41 10.967,42 4.925,43 2.631,44 0.267,46 0.012,47 1.661,48 0.198,49 0.421,51 0.648,52 1.112,53 0.149,54 1.25,55 3.262,56 3.262,57 1.543,58 0.79,59 0.871,60 22.156,62 0.054,63 -0.636,64 0.188,66 0.871,67 5.719}
{0 CHEMBL366603,7 0.688,8 3.195,9 1.597,10 1.597,11 0.25,12 3.821,13 3.821,14 0.654,20 4.157,21 3.368,22 1.243,23 18.952,24 5.504,25 4.631,27 1.444,29 0.056,32 4.69,33 0.125,34 4.764,35 6.398,37 7.307,38 0.654,40 -0.741,43 2.04,44 0.214,47 1.682,48 0.213,49 1.444,51 1.263,52 1.106,53 0.16,54 1.151,55 2.728,56 2.728,57 1.6,58 0.78,59 0.642,62 0.025,63 -0.71,64 0.071,66 0.642,67 5.122}
{0 CHEMBL401514,7 1.25,8 3.196,9 1.598,10 1.598,11 0.75,12 3.309,13 3.309,14 0.819,20 3.871,21 2.442,22 1.214,23 17.031,24 5.389,25 4.465,27 0.574,32 5.129,33 0.125,34 4.262,35 6.322,37 7.258,38 0.444,40 -1.598,43 1.831,44 0.412,47 1.587,48 0.25,49 1.761,51 1.34,52 1.093,53 0.25,54 1.093,55 2.655,56 2.655,57 1.5,58 0.805,59 0.724,62 0.042,63 -0.614,64 0.1,66 0.393,67 4.735}
{0 CHEMBL402589,7 1.35,8 5.246,9 3.246,10 3.246,11 0.733,12 3.8,13 3.8,14 0.922,15 1.69,16 1.222,17 0.222,18 22.818,19 3,20 3.991,21 3.429,22 1.614,23 9.476,24 11.85,25 9.584,26 12.984,27 0.366,28 2,29 0.615,31 2,32 7.422,33 1.986,34 5.8,35 14.165,36 15.325,37 16.502,38 0.922,39 10.653,40 1.36,41 17.672,42 8.332,43 4.529,44 0.236,45 1,46 0.032,47 1.955,48 0.107,49 0.366,50 0.375,51 0.617,52 1.115,53 0.074,54 1.521,55 4.288,56 4.288,57 1.765,58 0.733,59 0.859,60 50.29,61 4,62 0.086,63 -0.781,64 0.188,65 3,66 0.859,67 6.097}
{0 CHEMBL441472,7 1.212,8 5.313,9 3.313,10 3.313,11 0.558,12 3.692,13 3.692,14 0.788,15 3.492,16 1,18 12.514,19 1,20 4.015,21 3.537,22 1.543,23 55.934,24 12.239,25 9.993,26 13.366,27 1.202,28 1,29 0.903,30 1,31 1,32 5.01,33 1.875,34 5.692,35 14.543,36 15.701,37 16.88,38 0.788,39 11.054,40 1.891,41 18.054,42 8.761,43 4.394,44 0.201,46 0.032,47 2.005,48 0.124,49 1.202,50 0.429,51 0.705,52 1.132,53 0.078,54 1.5,55 4.313,56 4.313,57 1.846,58 0.721,59 0.757,60 25.145,61 4,62 0.047,63 -0.332,64 0.232,65 3,66 0.757,67 5.347}
{0 CHEMBL469537,7 0.886,8 4.785,9 2.785,10 2.785,11 0.364,12 3.165,13 3.165,14 0.89,16 1,18 10.346,19 2,20 3.826,21 2.97,22 1.515,23 20.9,24 10.464,25 8.521,26 11.385,27 0.51,28 1,29 0.299,31 1,32 4.702,33 0.5,34 4.985,35 12.443,36 13.409,37 14.445,38 0.89,39 9.357,40 0.516,41 15.436,42 7.311,43 3.78,44 0.25,46 0.024,47 1.849,48 0.141,49 0.51,51 0.613,52 1.125,53 0.087,54 1.433,55 3.783,56 3.783,57 1.692,58 0.752,59 0.86,60 25.145,62 0.038,63 -0.877,64 0.227,65 1,66 0.86,67 4.387}
{0 CHEMBL469753,7 1.021,8 4.821,9 2.859,10 2.859,11 0.458,12 3.601,13 3.601,14 0.824,15 0.69,16 1,18 11.35,19 1,20 3.88,21 2.238,22 1.457,24 10.616,25 8.612,26 11.594,27 0.827,28 1,29 0.191,31 1,32 5.074,33 0.403,34 5.479,35 12.666,36 13.682,37 14.74,38 0.824,39 9.51,40 0.618,41 15.773,42 7.421,43 3.647,44 0.235,46 0.025,47 1.861,48 0.139,49 0.827,50 0.417,51 0.831,52 1.128,53 0.1,54 1.426,55 3.822,56 3.822,57 1.714,58 0.748,59 0.793,60 34.652,62 0.037,63 -0.807,64 0.208,65 1,66 0.793,67 4.706}
{0 CHEMBL470670,7 0.523,8 4.915,9 2.915,10 2.915,12 3.051,13 3.051,14 0.731,16 1,20 3.809,21 2.254,22 1.584,24 10.801,25 8.747,26 11.806,27 1.332,29 0.236,32 4.308,33 1.063,34 5.051,35 12.895,36 13.933,37 15.01,38 0.762,39 9.682,40 -0.095,41 16.063,42 7.557,43 4.103,44 0.344,46 0.036,47 1.801,48 0.141,49 1.178,51 0.766,52 1.141,53 0.081,54 1.463,55 3.944,56 3.944,57 1.61,58 0.766,59 0.731,60 42.683,62 0.076,63 -0.294,64 0.273,65 1,66 0.762,67 4}
{0 CHEMBL482477,7 0.902,8 5.045,9 3.064,10 3.064,11 0.37,12 3.635,13 3.635,14 0.928,16 1,18 22.302,19 3,20 3.899,21 3.596,22 1.419,23 66.334,24 11.297,25 9.177,26 12.339,27 0.407,28 2,29 0.382,31 2,32 7.428,33 1.167,34 5.529,35 13.483,36 14.57,37 15.699,38 0.928,39 10.11,40 1.639,41 16.805,42 7.88,43 3.334,44 0.136,46 0.015,47 1.902,48 0.139,49 0.407,51 0.409,52 1.126,53 0.097,54 1.369,55 4.038,56 4.038,57 1.792,58 0.735,59 0.903,60 92.973,62 0.047,63 -0.412,64 0.13,65 1,66 0.903,67 5.252}
{0 CHEMBL513789,7 1.356,8 4.865,9 2.865,10 2.865,11 0.692,12 3.69,13 3.69,14 0.888,15 1.909,16 1.091,17 0.091,18 12.363,19 1,20 4.028,21 3.062,22 1.487,23 16.786,24 11.206,25 9.28,26 12.105,27 0.625,28 1,29 0.535,30 1,31 1,32 4.986,33 1.125,34 5.69,35 13.186,36 14.146,37 15.199,38 0.888,39 10.063,40 1.943,41 16.193,42 8.005,43 4.026,44 0.027,45 1,46 0.019,47 2.172,48 0.124,49 0.625,50 0.586,51 0.88,52 1.124,53 0.081,54 1.47,55 3.912,56 3.912,57 2.108,58 0.683,59 0.838,60 25.145,61 9,62 0.03,63 -0.37,64 0.155,65 5,66 0.838,67 4.602}
{0 CHEMBL518292,4 41.113,5 1,7 0.853,8 6.13,9 4.13,10 4.13,11 0.265,12 4.348,13 4.348,14 0.853,16 1.4,17 0.4,18 22.674,19 1,20 4.085,21 3.337,22 1.785,23 32.325,24 14.289,25 11.527,26 15.682,27 0.764,28 2,29 0.827,31 2,32 7.447,33 3.118,34 6.348,35 17.085,36 18.489,37 19.897,38 0.853,39 12.894,40 1.374,41 21.307,42 10.131,43 5.784,44 0.265,45 2,46 0.046,47 1.98,48 0.093,49 0.764,51 0.538,52 1.124,53 0.058,54 1.579,55 5.126,56 5.126,57 1.744,58 0.734,59 0.824,60 50.29,62 0.101,63 -0.865,64 0.368,65 6,66 0.824,67 6.229}
{0 CHEMBL550762,7 0.772,8 4.61,9 2.634,10 2.634,11 0.239,12 3.81,13 3.81,14 0.835,18 32.404,19 2,20 3.866,21 3.596,22 1.359,23 12.233,24 10.011,25 8.26,26 10.752,27 0.96,28 1,29 0.333,31 3,32 7.474,33 0.75,34 5.701,35 11.831,36 12.67,37 13.695,38 0.893,39 8.832,40 1.591,41 14.589,42 6.903,43 2.965,44 0.171,46 0.015,47 1.814,48 0.167,49 0.621,51 0.328,52 1.142,53 0.116,54 1.325,55 3.69,56 3.69,57 1.704,58 0.754,59 0.824,60 118.575,62 0.033,63 -0.326,64 0.136,66 0.882,67 6}
{0 CHEMBL55285,7 1.4,8 4.504,9 2.504,10 2.504,11 0.85,12 3.308,13 3.308,14 0.856,15 1.167,16 1,20 3.912,21 2.72,22 1.387,24 9.311,25 7.565,26 9.991,27 0.588,29 0.09,32 4.737,33 0.188,34 5.308,35 11.094,36 11.867,37 12.898,38 0.856,39 8.087,40 0.229,41 13.727,42 6.133,43 3.041,44 0.159,46 0.007,47 1.943,48 0.151,49 0.588,50 0.6,51 0.97,52 1.098,53 0.108,54 1.339,55 3.514,56 3.514,57 1.875,58 0.723,59 0.785,61 5,62 0.021,63 -0.768,64 0.1,65 1,66 0.785,67 4.715}
{0 CHEMBL589794,7 1.292,8 4.546,9 2.546,10 2.546,11 0.75,12 3.721,13 3.721,14 0.877,15 1.098,16 1,19 1,20 3.856,21 2.551,22 1.424,23 18.952,24 9.667,25 7.929,26 10.37,27 0.555,29 0.201,32 4.789,33 0.188,34 5.721,35 11.444,36 12.232,37 13.248,38 0.877,39 8.498,40 0.701,41 14.089,42 6.598,43 3.285,44 0.145,46 0.015,47 1.906,48 0.147,49 0.555,50 0.5,51 0.49,52 1.121,53 0.1,54 1.364,55 3.551,56 3.551,57 1.8,58 0.734,59 0.826,60 42.806,61 5,62 0.016,63 -0.244,64 0.167,65 1,66 0.826,67 4.015}
{0 CHEMBL589866,7 1.313,8 4.546,9 2.546,10 2.546,11 0.75,12 3.615,13 3.615,14 0.907,15 1.724,16 1,20 3.999,21 2.936,22 1.416,23 67.149,24 9.511,25 7.76,26 10.202,27 0.4,29 0.146,32 4.95,33 0.25,34 5.615,35 11.311,36 12.1,37 13.139,38 0.907,39 8.285,40 0.736,41 13.987,42 6.336,43 3.258,44 0.176,46 0.015,47 1.906,48 0.144,49 0.4,50 0.5,51 0.598,52 1.116,53 0.098,54 1.35,55 3.589,56 3.589,57 1.8,58 0.734,59 0.845,60 42.806,61 4,62 0.021,63 -0.164,64 0.167,65 1,66 0.845,67 5.027}
{0 CHEMBL589870,7 1.179,8 4.776,9 2.776,10 2.776,11 0.643,12 3.748,13 3.748,14 0.899,15 2.357,16 1,19 2,20 3.894,21 2.846,22 1.523,23 9.476,24 10.581,25 8.659,26 11.491,27 0.492,29 0.285,32 4.775,33 0.875,34 5.748,35 12.541,36 13.496,37 14.524,38 0.899,39 9.484,40 1.122,41 15.503,42 7.463,43 3.755,44 0.272,46 0.026,47 1.842,48 0.14,49 0.492,50 0.429,51 0.451,52 1.125,53 0.087,54 1.409,55 3.789,56 3.789,57 1.68,58 0.754,59 0.858,60 42.806,61 4,62 0.051,63 -0.305,64 0.25,65 1,66 0.858,67 4.842}
{0 CHEMBL589871,7 1.25,8 4.566,9 2.566,10 2.566,11 0.692,12 3.721,13 3.721,14 0.877,15 1.733,16 1,19 1,20 4.001,21 2.937,22 1.464,23 58.101,24 9.752,25 8.007,26 10.476,27 0.555,29 0.257,32 4.949,33 0.25,34 5.721,35 11.54,36 12.345,37 13.358,38 0.877,39 8.602,40 0.753,41 14.214,42 6.711,43 3.519,44 0.24,46 0.022,47 1.872,48 0.138,49 0.555,50 0.462,51 0.53,52 1.119,53 0.095,54 1.386,55 3.606,56 3.606,57 1.733,58 0.745,59 0.826,60 42.806,61 4,62 0.018,63 -0.202,64 0.231,65 1,66 0.826,67 4.559}
{0 CHEMBL589873,7 1.25,8 4.632,9 2.632,10 2.632,11 0.692,12 3.625,13 3.625,14 0.877,15 1.743,16 1,19 1,20 4.003,21 2.942,22 1.454,23 57.672,24 9.912,25 8.108,26 10.699,27 0.555,29 0.174,32 4.949,33 0.625,34 5.625,35 11.764,36 12.626,37 13.646,38 0.877,39 8.767,40 0.976,41 14.552,42 6.819,43 3.525,44 0.24,46 0.022,47 1.872,48 0.144,49 0.555,50 0.462,51 0.555,52 1.119,53 0.093,54 1.393,55 3.658,56 3.658,57 1.733,58 0.745,59 0.826,60 42.806,61 4,62 0.045,63 -0.202,64 0.231,65 1,66 0.826,67 4.159}
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