@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2346485

@attribute molecule_id {CHEMBL2349388,CHEMBL2349392,CHEMBL2349398,CHEMBL2349411,CHEMBL2349509,CHEMBL2349510,CHEMBL2349512,CHEMBL2349514,CHEMBL2349516,CHEMBL2349518,CHEMBL2349522}
@attribute AAC numeric
@attribute AMR numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4v numeric
@attribute ATS5p numeric
@attribute ATS5v numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6v numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATSC1i numeric
@attribute ATSC1v numeric
@attribute ATSC2i numeric
@attribute ATSC3i numeric
@attribute ATSC4i numeric
@attribute ATSC5i numeric
@attribute ATSC6i numeric
@attribute ATSC7i numeric
@attribute ATSC7v numeric
@attribute ATSC8i numeric
@attribute ATSC8p numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BID numeric
@attribute CATS2D_05_LL numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC3 numeric
@attribute CID numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eta_alpha numeric
@attribute Eta_sh_x numeric
@attribute GATS1i numeric
@attribute GATS2i numeric
@attribute GATS2p numeric
@attribute GATS3m numeric
@attribute GATS6e numeric
@attribute GATS6i numeric
@attribute GATS7i numeric
@attribute GNar numeric
@attribute HDcpx numeric
@attribute Hy numeric
@attribute IC0 numeric
@attribute IDDM numeric
@attribute IDM numeric
@attribute IVDM numeric
@attribute MATS1p numeric
@attribute MATS1v numeric
@attribute MATS2m numeric
@attribute MATS2p numeric
@attribute MATS3m numeric
@attribute MATS6e numeric
@attribute MATS6i numeric
@attribute MATS6p numeric
@attribute MATS6v numeric
@attribute MATS8e numeric
@attribute MCD numeric
@attribute MPC01 numeric
@attribute MPC02 numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute MPC05 numeric
@attribute MPC06 numeric
@attribute MPC08 numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute MWC01 numeric
@attribute MWC02 numeric
@attribute MWC03 numeric
@attribute MWC04 numeric
@attribute MWC05 numeric
@attribute MWC06 numeric
@attribute MWC07 numeric
@attribute MWC09 numeric
@attribute nBO numeric
@attribute nC numeric
@attribute NsCH3 numeric
@attribute PDI numeric
@attribute piID numeric
@attribute piPC01 numeric
@attribute piPC03 numeric
@attribute piPC04 numeric
@attribute piPC05 numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute Pol numeric
@attribute Psi_e_0 numeric
@attribute Psi_e_1 numeric
@attribute Psi_i_0 numeric
@attribute Psi_i_1 numeric
@attribute P_VSA_LogP_1 numeric
@attribute RDSQ numeric
@attribute SCBO numeric
@attribute SIC0 numeric
@attribute SIC3 numeric
@attribute SM02_AEA.bo. numeric
@attribute SM02_AEA.ed. numeric
@attribute SM02_EA numeric
@attribute SM02_EA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM04_AEA.ed. numeric
@attribute SM04_EA numeric
@attribute SM04_EA.ri. numeric
@attribute SM05_AEA.dm. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM06_AEA.ri. numeric
@attribute SM06_EA numeric
@attribute SM07_AEA.ri. numeric
@attribute SM08_AEA.bo. numeric
@attribute SNar numeric
@attribute Sp numeric
@attribute SpAD_AEA.bo. numeric
@attribute pXC50 numeric

@data
{1 1.449,2 128.581,3 3.712,4 4.783,5 5.75,6 4.083,7 4.987,8 5.175,9 5.913,10 4.245,11 5.158,12 5.396,13 4.249,14 4.292,15 4.205,16 4.049,17 4.254,18 4.151,19 3.988,20 4.263,21 4.141,22 5.105,23 5.367,24 4.303,25 5.864,26 0.874,27 8.14,28 1.401,29 1.744,30 1.976,31 1.937,32 1.767,33 1.843,34 18.447,35 1.805,36 14.849,37 21.298,38 24,39 49,40 0.233,41 3.503,42 8,43 21.833,44 21.833,45 21.833,46 21.833,47 21.833,48 19.735,49 13.116,50 22.522,51 17.238,52 17.238,53 17.238,54 17.238,55 17.238,56 13.933,57 18.16,58 0.79,59 4.2,60 3.292,61 1.804,62 3.535,63 2.009,64 1.05,65 1.5,66 2.503,67 1,68 2.279,69 3.414,70 2,71 1,72 1.257,73 2.275,74 1,75 3.362,76 3.013,77 15.2,78 0.033,79 1.348,80 0.821,81 0.81,82 1.02,83 1.094,84 1.304,85 0.905,86 2.074,87 1.75,88 -0.403,89 1.449,90 4.962,91 8.715,92 4.929,93 -0.085,94 -0.01,95 0.092,96 0.216,97 -0.065,98 -0.1,99 -0.252,100 -0.201,101 -0.182,102 0.057,103 0.625,104 3.584,105 3.912,106 4.19,107 4.511,108 4.804,109 4.956,110 5.231,111 5.352,112 5.398,113 3.584,114 5.13,115 5.984,116 6.882,117 7.765,118 8.68,119 9.577,120 11.407,121 35,122 26,123 4,124 0.954,125 11.42,126 3.807,127 4.965,128 5.564,129 6.147,130 6.42,131 6.773,132 7.148,133 7.51,134 7.77,135 53,136 11.825,137 4.887,138 23.05,139 18.725,140 39.417,141 297.179,142 44,143 0.242,144 0.868,145 5.053,146 5.989,147 4.595,148 6.858,149 4.513,150 7.58,151 9.29,152 6.267,153 6.145,154 1.05,155 1,156 2.503,157 8.288,158 2.275,159 13.2,160 23.345,161 41.04,162 51.582,163 5.26}
{0 CHEMBL2349392,1 1.455,2 104.911,3 3.496,4 4.545,5 5.542,6 3.88,7 4.793,8 4.975,9 5.806,10 4.095,11 5.024,12 5.259,13 4.149,14 4.199,15 4.125,16 3.919,17 4.174,18 4.058,19 3.703,20 4.114,21 3.956,22 4.883,23 5.163,24 3.984,25 5.774,26 0.726,27 6.495,28 1.168,29 1.496,30 1.759,31 1.698,32 1.605,33 1.565,34 17.501,35 1.368,36 12.058,37 17.485,38 51,39 41,40 0.245,41 3.306,42 5,43 17.411,44 17.411,45 17.411,46 17.411,47 17.411,48 15.969,49 10.232,50 17.789,51 13.688,52 13.688,53 13.688,54 13.688,55 13.688,56 11.189,57 14.215,58 0.79,59 3.982,60 2.832,61 1.435,62 3.097,63 1.346,64 0.435,65 0.522,66 0.704,67 0.395,68 1.678,69 2.865,70 1.13,71 0.145,72 0.201,73 0.298,74 0.141,75 2.787,76 2.567,77 12.367,78 0.04,79 1.399,80 0.859,81 0.815,82 0.947,83 1.104,84 1.197,85 0.91,86 1.983,87 1.7,88 -0.37,89 1.455,90 4.663,91 8.14,92 4.592,93 -0.079,94 -0.015,95 0.176,96 0.204,97 0.001,98 -0.075,99 -0.162,100 -0.225,101 -0.238,102 0.237,103 0.538,104 3.367,105 3.738,106 4.06,107 4.419,108 4.727,109 4.942,110 5.231,111 5.308,112 5.215,113 3.367,114 4.934,115 5.814,116 6.744,117 7.656,118 8.6,119 9.524,120 11.405,121 28,122 21,123 3,124 0.945,125 9.592,126 3.611,127 4.721,128 5.315,129 5.893,130 6.268,131 6.631,132 7.018,133 7.276,134 7.319,135 48,136 9.627,137 4.051,138 18.407,139 15.041,140 28.533,141 231.774,142 36,143 0.256,144 0.861,145 4.894,146 5.861,147 4.419,148 6.801,149 4.357,150 7.505,151 9.264,152 6.172,153 6.068,154 0.435,155 0.145,156 0.704,157 8.275,158 0.298,159 13.175,160 17.8,161 33.302,162 43.093,163 5.161}
{0 CHEMBL2349398,1 1.419,2 109.663,3 3.556,4 4.657,5 5.612,6 3.945,7 4.929,8 5.13,9 5.893,10 4.149,11 5.087,12 5.328,13 4.208,14 4.294,15 4.21,16 3.958,17 4.285,18 4.143,19 3.722,20 4.201,21 4.025,22 4.992,23 5.28,24 4.099,25 5.784,26 0.795,27 7.531,28 1.28,29 1.623,30 1.84,31 1.823,32 1.781,33 1.695,34 19.68,35 1.513,36 13.326,37 19.544,38 68,39 43,40 0.236,41 3.341,42 9,43 17.695,44 17.695,45 17.695,46 17.695,47 17.695,48 16.383,49 10.358,50 18.088,51 14.261,52 14.261,53 14.261,54 14.261,55 14.261,56 12.015,57 14.863,58 0.853,59 4.015,60 2.964,61 1.7,62 3.127,63 1.3,64 0.33,65 0.42,66 0.661,67 0.318,68 1.417,69 3.05,70 1.05,71 0.039,72 0.051,73 0.092,74 0.038,75 2.838,76 2.65,77 12.867,78 0.039,79 1.443,80 0.943,81 0.904,82 1.015,83 0.955,84 1.233,85 0.935,86 1.963,87 1.708,88 -0.382,89 1.419,90 4.717,91 8.235,92 4.637,93 -0.075,94 -0.014,95 0.229,96 0.143,97 0.002,98 -0.018,99 -0.208,100 -0.233,101 -0.223,102 0.28,103 0.519,104 3.401,105 3.784,106 4.078,107 4.454,108 4.745,109 4.963,110 5.298,111 5.333,112 5.384,113 3.401,114 4.977,115 5.849,116 6.783,117 7.688,118 8.634,119 9.553,120 11.43,121 29,122 22,123 5,124 0.936,125 9.627,126 3.611,127 4.721,128 5.335,129 5.901,130 6.287,131 6.655,132 7.067,133 7.289,134 7.452,135 49,136 10.04,137 4.223,138 19.403,139 15.942,140 44.126,141 243.342,142 36,143 0.244,144 0.853,145 4.909,146 5.905,147 4.466,148 6.841,149 4.397,150 7.546,151 9.299,152 6.213,153 6.096,154 0.33,155 0.039,156 0.661,157 8.304,158 0.092,159 13.19,160 18.205,161 35.824,162 44.911,163 5.387}
{0 CHEMBL2349411,1 1.523,2 104.822,3 3.485,4 4.522,5 5.472,6 3.869,7 4.744,8 4.915,9 5.714,10 4.074,11 4.962,12 5.193,13 4.113,14 4.193,15 4.075,16 3.979,17 4.171,18 4.001,19 3.689,20 4.062,21 3.859,22 4.706,23 4.96,24 3.86,25 5.556,26 0.682,27 6.481,28 1.15,29 1.435,30 1.717,31 1.638,32 1.498,33 1.498,34 16.899,35 1.19,36 10.729,37 14.659,38 36,39 39,40 0.26,41 3.269,42 12,43 16.8,44 16.8,45 16.8,46 16.8,47 16.8,48 15.461,49 10.093,50 17.352,51 13.278,52 13.278,53 13.278,54 13.278,55 13.278,56 11.077,57 14.081,58 0.699,59 3.946,60 2.795,61 1.408,62 3.014,63 1.223,64 0.264,65 0.346,66 0.493,67 0.248,68 1.271,69 2.832,70 0.973,75 2.786,76 2.387,77 12.3,78 0.041,79 1.285,80 0.955,81 0.906,82 0.986,83 1.084,84 1.247,85 0.996,86 2.005,87 1.69,88 -0.79,89 1.523,90 4.607,91 8.028,92 4.546,93 -0.022,94 -0.004,95 0.107,96 0.139,97 0.011,98 -0.114,99 -0.217,100 -0.209,101 -0.273,102 0.005,103 0.56,104 3.332,105 3.689,106 4.007,107 4.369,108 4.663,109 4.844,110 5.088,111 5.142,112 5.05,113 3.332,114 4.89,115 5.765,116 6.691,117 7.599,118 8.541,119 9.463,120 11.34,121 27,122 20,123 3,124 0.942,125 9.401,126 3.555,127 4.652,128 5.246,129 5.806,130 6.131,131 6.481,132 6.82,133 7.067,134 7.104,135 45,136 9.289,137 3.905,138 17.978,139 14.818,140 28.533,141 217.833,142 34,143 0.271,144 0.875,145 4.832,146 5.802,147 4.369,148 6.739,149 4.286,150 7.441,151 9.201,152 6.111,153 5.989,154 0.264,156 0.493,157 8.223,159 13.105,160 17.394,161 32.944,162 41.162,163 5.495}
{0 CHEMBL2349509,1 1.43,2 118.392,3 3.616,4 4.558,5 5.537,6 4.008,7 4.832,8 5.005,9 5.799,10 4.193,11 5.031,12 5.261,13 4.196,14 4.264,15 4.146,16 4.074,17 4.261,18 4.102,19 3.871,20 4.217,21 4.036,22 4.828,23 5.07,24 4.105,25 5.752,26 0.685,27 6.678,28 1.206,29 1.529,30 1.903,31 1.724,32 1.623,33 1.642,34 18.093,35 1.418,36 12.253,37 16.705,38 19,39 45,40 0.237,41 3.376,42 13,43 18.946,44 18.946,45 18.946,46 18.946,47 18.946,48 16.856,49 11.225,50 19.264,51 15.295,52 15.295,53 15.295,54 15.295,55 15.295,56 12.051,57 15.832,58 0.935,59 4.071,60 2.922,61 1.478,62 3.507,63 2,64 1,65 1.5,66 2.136,67 1,68 1.965,69 3.247,70 1.573,71 0.71,72 0.823,73 1.543,74 0.595,75 3.091,76 2.954,77 13.967,78 0.036,79 1.113,80 1.022,81 0.989,82 0.898,83 1.556,84 1.13,85 1.052,86 2.085,87 1.718,88 -0.848,89 1.43,90 4.776,91 8.35,92 4.728,93 0.021,94 0.025,95 0.089,96 0.013,97 0.034,98 -0.21,99 -0.088,100 -0.117,101 -0.174,102 -0.078,103 0.714,104 3.466,105 3.829,106 4.143,107 4.489,108 4.779,109 4.927,110 5.226,111 5.352,112 5.333,113 3.466,114 5.03,115 5.905,116 6.823,117 7.724,118 8.655,119 9.569,120 11.428,121 31,122 24,123 2,124 0.984,125 10.623,126 3.738,127 4.871,128 5.449,129 6.002,130 6.236,131 6.596,132 6.968,133 7.299,134 7.45,135 50,136 10.399,137 4.462,138 20.23,139 17.065,140 17.65,141 259.361,142 41,143 0.251,144 0.836,145 5.004,146 5.932,147 4.511,148 6.845,149 4.452,150 7.554,151 9.295,152 6.229,153 6.128,154 1,155 0.71,156 2.136,157 8.304,158 1.543,159 13.215,160 20.572,161 36.489,162 47.873,163 4.967}
{0 CHEMBL2349510,1 1.474,2 98.527,3 3.423,4 4.425,5 5.369,6 3.816,7 4.682,8 4.862,9 5.645,10 4.02,11 4.878,12 5.102,13 4.056,14 4.133,15 4.021,16 3.853,17 4.13,18 3.932,19 3.427,20 3.977,21 3.721,22 4.544,23 4.829,24 3.676,25 5.296,26 0.626,27 6.045,28 1.081,29 1.357,30 1.603,31 1.534,32 1.426,33 1.384,34 16.758,35 1.033,36 9.516,37 13.256,38 34,39 37,40 0.256,41 3.191,42 12,43 15.386,44 15.386,45 15.386,46 15.386,47 15.386,48 14.047,49 9.068,50 15.867,51 12.278,52 12.278,53 12.278,54 12.278,55 12.278,56 10.077,57 12.929,58 0.717,59 3.865,60 2.79,61 1.345,62 2.949,63 0.979,68 1.155,69 2.822,70 0.951,71 -0.057,72 -0.072,73 -0.146,74 -0.058,75 2.409,76 2.283,77 11.467,78 0.044,79 1.218,80 1.014,81 0.964,82 1.001,83 1.271,84 1.173,85 1.032,86 2.006,87 1.669,88 -0.815,89 1.474,90 4.492,91 7.8,92 4.418,93 0.01,94 0.013,95 0.154,96 0.071,97 0.001,98 -0.176,99 -0.182,100 -0.204,101 -0.297,102 -0.014,103 0.609,104 3.258,105 3.638,106 3.97,107 4.344,108 4.635,109 4.804,110 5.011,111 5.017,112 4.905,113 3.258,114 4.828,115 5.714,116 6.65,117 7.566,118 8.513,119 9.44,120 11.321,121 25,122 19,123 3,124 0.955,125 9.264,126 3.497,127 4.632,128 5.236,129 5.794,130 6.116,131 6.459,132 6.788,133 7.013,134 7.041,135 43,136 8.553,137 3.636,138 16.627,139 13.914,140 26.476,141 198.202,142 32,143 0.268,144 0.869,145 4.783,146 5.765,147 4.317,148 6.72,149 4.245,150 7.418,151 9.187,152 6.084,153 5.973,155 -0.057,157 8.213,158 -0.146,159 13.101,160 16.008,161 30.728,162 38.663,163 5.699}
{0 CHEMBL2349512,1 1.458,2 100.497,3 3.465,4 4.543,5 5.516,6 3.857,7 4.785,8 4.974,9 5.777,10 4.074,11 4.997,12 5.228,13 4.128,14 4.178,15 4.104,16 3.854,17 4.146,18 4.022,19 3.677,20 4.057,21 3.89,22 4.842,23 5.116,24 3.898,25 5.654,26 0.718,27 6.483,28 1.156,29 1.476,30 1.702,31 1.663,32 1.557,33 1.503,34 17.304,35 1.26,36 11.045,37 15.836,38 50,39 40,40 0.248,41 3.269,42 7,43 16.704,44 16.704,45 16.704,46 16.704,47 16.704,48 15.392,49 9.71,50 17.118,51 13.188,52 13.188,53 13.188,54 13.188,55 13.188,56 10.91,57 13.728,58 0.7,59 3.944,60 2.794,61 1.377,62 3.051,63 1.249,64 0.277,65 0.361,66 0.49,67 0.267,68 1.252,69 2.834,70 0.991,75 2.771,76 2.418,77 11.867,78 0.042,79 1.437,80 0.846,81 0.798,82 0.932,83 1.176,84 1.295,85 0.898,86 1.982,87 1.691,88 -0.356,89 1.458,90 4.611,91 8.038,92 4.532,93 -0.083,94 -0.016,95 0.208,96 0.232,97 0.027,98 -0.142,99 -0.262,100 -0.292,101 -0.302,102 -0.08,103 0.56,104 3.332,105 3.714,106 4.043,107 4.407,108 4.718,109 4.913,110 5.182,111 5.226,112 5.159,113 3.332,114 4.905,115 5.79,116 6.725,117 7.641,118 8.587,119 9.515,120 11.398,121 27,122 20,123 4,124 0.943,125 9.462,126 3.555,127 4.703,128 5.305,129 5.889,130 6.249,131 6.621,132 6.943,133 7.213,134 7.279,135 47,136 9.276,137 3.912,138 17.83,139 14.633,140 37.359,141 222.032,142 34,143 0.258,144 0.876,145 4.848,146 5.844,147 4.394,148 6.792,149 4.331,150 7.494,151 9.257,152 6.159,153 6.055,154 0.277,156 0.49,157 8.27,159 13.168,160 17.107,161 32.302,162 41.486,163 5.886}
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