@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1075252 @attribute molecule_id {CHEMBL225713,CHEMBL225984,CHEMBL225985,CHEMBL226414,CHEMBL226521,CHEMBL226522,CHEMBL226523,CHEMBL375702,CHEMBL375897,CHEMBL376563,CHEMBL376565,CHEMBL376566,CHEMBL387483,CHEMBL390799} @attribute ATSC1e numeric @attribute ATSC1s numeric @attribute ATSC2e numeric @attribute BIC5 numeric @attribute CATS2D_05_NN numeric @attribute CATS2D_06_AN numeric @attribute CATS2D_06_DN numeric @attribute CATS2D_07_AA numeric @attribute CATS2D_07_DA numeric @attribute CATS2D_07_DD numeric @attribute CIC5 numeric @attribute Eig02_AEA.bo. numeric @attribute Eig02_AEA.ri. numeric @attribute Eig02_EA numeric @attribute Eig02_EA.bo. numeric @attribute Eig02_EA.ed. numeric @attribute GATS4p numeric @attribute GATS4v numeric @attribute MATS2m numeric @attribute MATS4i numeric @attribute MATS4p numeric @attribute MATS5s numeric @attribute MATS6m numeric @attribute MATS6p numeric @attribute MATS6v numeric @attribute MATS7s numeric @attribute MAXDN numeric @attribute MLOGP2 numeric @attribute piPC06 numeric @attribute SdssC numeric @attribute SIC5 numeric @attribute SM10_AEA.bo. numeric @attribute SM10_EA.ed. numeric @attribute SM11_AEA.dm. numeric @attribute SM11_EA.ed. numeric @attribute SM11_EA.ri. numeric @attribute SM12_AEA.ri. numeric @attribute SM13_EA numeric @attribute SM13_EA.ed. numeric @attribute SM14_EA.ed. numeric @attribute SM15_EA numeric @attribute SM15_EA.ri. numeric @attribute SpDiam_EA.ed. numeric @attribute X1A numeric @attribute X5A numeric @attribute ATSC6s numeric @attribute GATS4i numeric @attribute SpMax4_Bh.s. numeric @attribute ZM1Kup numeric @attribute ZM1MulPer numeric @attribute ZM1Per numeric @attribute ZM1V numeric @attribute Eig12_AEA.bo. numeric @attribute Eig12_AEA.dm. numeric @attribute Eig12_EA numeric @attribute MATS7v numeric @attribute SM06_AEA.dm. numeric @attribute Eig10_AEA.ri. numeric @attribute Eig12_AEA.ri. numeric @attribute Eta_sh_y numeric @attribute X2A numeric @attribute ATS7s numeric @attribute Eig12_EA.bo. numeric @attribute Eig12_EA.dm. numeric @attribute Eig12_EA.ed. numeric @attribute Eig12_EA.ri. numeric @attribute GATS4m numeric @attribute GATS5m numeric @attribute GATS7e numeric @attribute GATS7s numeric @attribute GATS8e numeric @attribute GATS8m numeric @attribute GATS8s numeric @attribute JGI5 numeric @attribute MATS4v numeric @attribute SM07_AEA.ri. numeric @attribute ATS6s numeric @attribute ATSC7e numeric @attribute ATSC7s numeric @attribute CATS2D_04_DL numeric @attribute Hy numeric @attribute SsOH numeric @attribute ALOGP numeric @attribute BLTA96 numeric @attribute BLTD48 numeric @attribute BLTF96 numeric @attribute GATS1e numeric @attribute GATS6m numeric @attribute MLOGP numeric @attribute Eig10_AEA.bo. numeric @attribute Eig10_AEA.dm. numeric @attribute Eig10_EA numeric @attribute Eig10_EA.bo. numeric @attribute Eig10_EA.dm. numeric @attribute Eig10_EA.ed. numeric @attribute Eig10_EA.ri. numeric @attribute GATS5i numeric @attribute JGI3 numeric @attribute MATS1p numeric @attribute MATS1v numeric @attribute MATS2e numeric @attribute MATS7e numeric @attribute piPC05 numeric @attribute PW4 numeric @attribute SM04_AEA.dm. numeric @attribute SM05_AEA.ri. numeric @attribute X0Av numeric @attribute MATS4e numeric @attribute MATS4m numeric @attribute Psi_e_A numeric @attribute Psi_i_A numeric @attribute DELS numeric @attribute Psi_i_s numeric @attribute AAC numeric @attribute AECC numeric @attribute ALOGP2 numeric @attribute AMR numeric @attribute AMW 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 ATS2s numeric @attribute ATS2v numeric @attribute ATS3e numeric @attribute ATS3i numeric @attribute ATS3m numeric @attribute ATS3p numeric @attribute ATS3s numeric @attribute ATS3v numeric @attribute ATS4e numeric @attribute ATS4i numeric @attribute ATS4m numeric @attribute ATS4p numeric @attribute ATS4s numeric @attribute ATS4v numeric @attribute ATS5e numeric @attribute ATS5i numeric @attribute ATS5m numeric @attribute ATS5p numeric @attribute ATS5s numeric @attribute ATS5v numeric @attribute ATS6e numeric @attribute ATS6i numeric @attribute ATS6m numeric @attribute ATS6p numeric @attribute ATS6v numeric @attribute ATS7e numeric @attribute ATS7i numeric @attribute ATS7m numeric @attribute ATS7p numeric @attribute ATS7v numeric @attribute ATS8e numeric @attribute ATS8i numeric @attribute ATS8m numeric @attribute ATS8p numeric @attribute ATS8s numeric @attribute ATS8v numeric @attribute ATSC1i numeric @attribute ATSC1m numeric @attribute ATSC1p numeric @attribute ATSC1v numeric @attribute ATSC2i numeric @attribute ATSC2m numeric @attribute ATSC2p numeric @attribute ATSC2s numeric @attribute ATSC2v numeric @attribute ATSC3e numeric @attribute ATSC3i numeric @attribute ATSC3m numeric @attribute ATSC3p numeric @attribute ATSC3s numeric @attribute ATSC3v numeric @attribute ATSC4e numeric @attribute ATSC4i numeric @attribute ATSC4m numeric @attribute ATSC4p numeric @attribute ATSC4s numeric @attribute ATSC4v numeric @attribute ATSC5e numeric @attribute ATSC5i numeric @attribute ATSC5m numeric @attribute ATSC5p numeric @attribute ATSC5s numeric @attribute ATSC5v numeric @attribute ATSC6e numeric @attribute ATSC6i numeric @attribute ATSC6m numeric @attribute ATSC6p numeric @attribute ATSC6v numeric @attribute ATSC7i numeric @attribute ATSC7m numeric @attribute ATSC7p numeric @attribute ATSC7v numeric @attribute ATSC8e numeric @attribute ATSC8i numeric @attribute ATSC8m numeric @attribute ATSC8p numeric @attribute ATSC8s numeric @attribute ATSC8v numeric @attribute pXC50 numeric @data {1 0.233,2 49.244,3 0.393,4 0.841,11 0.552,12 3.54,13 3.189,14 2.191,15 2.706,16 5.867,17 1.106,18 1.046,19 0.019,20 -0.245,21 -0.23,22 0.119,23 -0.23,24 0.378,25 0.213,26 0.543,27 3.259,28 0.203,30 -2.979,31 0.87,32 2.191,33 22.821,34 5.867,35 25.057,36 11.834,37 2.706,38 14.23,39 29.622,40 31.914,41 16.41,42 16.11,43 16.482,44 0.5,45 0.119,46 68.964,47 1.126,48 6.35,49 257.92,50 235.021,51 277.83,52 210,56 1.217,58 -0.834,60 0.429,61 0.34,62 1.386,67 1.068,68 1.21,75 -0.148,77 4.127,78 0.043,79 8.51,80 3,81 1.749,82 25.174,83 -0.428,84 -0.78,85 -0.89,86 -1.01,87 1.018,88 1.432,89 -0.45,90 -0.792,91 -1.481,92 -1.827,93 -2,94 -1.649,95 -6.714,96 -1.836,97 0.635,98 0.08,99 0.137,100 0.083,101 0.191,102 0.556,103 2.773,104 0.147,105 -1.827,106 -6.714,107 0.509,108 -0.152,109 -0.092,110 9.409,111 3.909,112 26.961,113 43,114 1.557,115 4.273,116 0.183,117 34.17,118 8.428,119 3.049,120 3.112,121 2.597,122 2.37,123 4.563,124 2.438,125 3.432,126 3.514,127 2.927,128 2.641,129 5.194,130 2.69,131 3.776,132 3.904,133 3.046,134 2.744,135 5.511,136 2.807,137 3.821,138 3.96,139 2.977,140 2.587,141 5.702,142 2.685,143 3.618,144 3.784,145 2.536,146 2.118,147 5.706,148 2.183,149 2.849,150 3.12,151 0.705,152 1.29,153 1.159,154 1.298,155 1.682,156 0.021,157 0.361,158 0.189,165 0.209,166 3.474,167 1.628,168 1.717,169 0.288,170 5.349,171 2.319,172 90.255,173 2.776,174 0.671,175 0.329,176 9.499,177 2.637,178 141.469,179 3.409,180 0.778,181 0.286,182 10.785,183 2.254,184 148.228,185 3.096,186 0.817,187 0.179,188 10.209,189 1.46,190 157.744,191 2.315,192 0.348,193 0.07,194 5.589,195 0.607,196 1.157,197 0.013,198 1.145,199 0.139,200 0.37,207 2.469} {0 CHEMBL225984,1 0.316,2 68.854,3 0.585,4 0.933,5 1,6 2,7 3,8 1,9 3,10 2,11 0.222,12 3.558,13 3.247,14 2.245,15 2.718,16 5.914,17 1.028,18 1.034,19 0.027,20 -0.093,21 -0.084,22 -0.044,23 -0.127,24 -0.01,25 0.057,26 0.422,27 3.337,28 0.233,29 2.708,30 -4.169,31 0.953,32 2.245,33 22.873,34 5.914,35 25.113,36 11.898,37 2.718,38 14.277,39 29.687,40 31.983,41 16.454,42 16.162,43 16.538,44 0.49,45 0.102,46 170.778,47 1.03,48 6.448,49 353.805,50 319.63,51 376.48,52 286,53 -0.441,54 -0.97,55 -1.481,56 0.089,57 -1.481,58 -0.021,59 -0.525,60 0.395,61 0.352,62 5.847,63 -1.749,64 -1.584,65 -4.042,66 -1.488,67 1.062,68 1.085,69 0.86,70 0.876,71 1.221,72 1.269,73 1.186,74 0.02,75 -0.067,76 -4.042,77 5.388,78 0.828,79 167.406,80 4,81 2.415,82 34.248,83 -0.428,84 -0.75,85 -0.86,86 -0.98,87 0.984,88 1.166,89 -0.482,90 0.301,91 -0.081,92 -1,93 -1.355,94 -0.757,95 -2,96 -0.978,97 0.836,98 0.069,99 0.14,100 0.084,101 0.242,102 0.434,103 3.135,104 0.126,105 -1,106 -2,107 0.519,108 -0.148,109 -0.096,110 9.311,111 3.811,112 40.478,113 57.167,114 1.545,115 6.6,116 0.183,117 44.993,118 8.156,119 3.395,120 3.465,121 2.915,122 2.703,123 4.827,124 2.764,125 3.863,126 3.975,127 3.254,128 3.038,129 5.544,130 3.053,131 4.237,132 4.412,133 3.298,134 3.168,135 5.732,136 3.169,137 4.289,138 4.463,139 3.285,140 3.095,141 5.853,142 3.124,143 4.194,144 4.37,145 3.161,146 2.899,147 5.958,148 2.936,149 3.918,150 4.107,151 2.8,152 2.574,153 2.643,154 3.589,155 3.716,156 2.897,157 2.099,158 2.295,159 3.061,160 3.172,161 2.205,162 1.443,163 5.4,164 1.629,165 0.302,166 5.27,167 2.371,168 2.686,169 0.439,170 9.138,171 3.617,172 135.617,173 4.742,174 1.01,175 0.507,176 16.488,177 4.191,178 215.604,179 6.101,180 1.169,181 0.47,182 18.216,183 3.815,184 237.733,185 5.729,186 1.219,187 0.384,188 17.364,189 3.123,190 250.778,191 4.87,192 0.848,193 0.269,194 13.437,195 2.117,196 3.382,197 0.158,198 9.516,199 1.222,200 2.073,201 0.563,202 0.072,203 5.87,204 0.541,205 114.425,206 0.933,207 4.585} {0 CHEMBL225985,1 0.293,2 61.564,3 0.515,4 0.901,11 0.385,12 3.535,13 3.194,14 2.197,15 2.697,16 5.904,17 1.131,18 1.046,19 -0.044,20 -0.241,21 -0.217,22 0.19,23 -0.233,24 0.246,25 0.028,26 -0.121,27 3.297,28 1.266,29 1.386,30 -3.033,31 0.914,32 2.197,33 22.868,34 5.904,35 25.109,36 11.85,37 2.697,38 14.253,39 29.683,40 31.979,41 16.437,42 16.134,43 16.534,44 0.5,45 0.123,46 128.567,47 1.157,48 6.446,49 286.07,50 255.988,51 300.08,52 230,56 0.509,58 -0.787,60 0.4,61 0.343,62 3.219,67 1.061,68 1.079,69 0.992,70 0.957,74 0.011,75 -0.12,77 5.154,78 0.169,79 30.517,80 1,81 2.698,82 33.767,83 -1.263,84 -0.1,85 -0.25,86 -0.43,87 1.066,88 1.371,89 -1.125,90 -0.739,91 -1.303,92 -1.77,93 -1.884,94 -1.584,95 -5.137,96 -1.758,97 0.67,98 0.075,99 0.154,100 0.096,101 0.099,102 -0.106,103 2.89,104 0.153,105 -1.77,106 -5.137,107 0.515,108 -0.191,109 -0.096,110 9.417,111 3.917,112 32.386,113 47,114 1.539,115 4.833,116 1.594,117 36.054,118 8.098,119 3.203,120 3.271,121 2.704,122 2.46,123 4.649,124 2.535,125 3.65,126 3.757,127 3.02,128 2.78,129 5.298,130 2.814,131 4.002,132 4.169,133 3.13,134 2.903,135 5.561,136 2.934,137 4.058,138 4.212,139 3.132,140 2.778,141 5.731,142 2.866,143 3.954,144 4.107,145 2.986,146 2.408,147 6.056,148 2.519,149 3.393,150 3.611,151 1.83,152 1.72,153 1.714,154 2.218,155 2.539,156 0.316,157 0.808,158 0.648,159 0.635,160 0.899,161 0.007,162 0.135,163 0.693,164 0.067,165 0.231,166 4.523,167 1.798,168 2.134,169 0.326,170 7.641,171 2.656,172 114.591,173 3.591,174 0.854,175 0.366,176 13.08,177 2.987,178 177.295,179 4.613,180 1.005,181 0.311,182 14.399,183 2.441,184 199.552,185 4.041,186 1.202,187 0.203,188 14.322,189 1.636,190 234.832,191 3.102,192 0.688,193 0.091,194 9.084,195 0.758,196 1.676,197 0.026,198 2.906,199 0.244,200 0.649,201 0.015,202 0.003,203 0.348,204 0.036,205 2.531,206 0.105,207 2.678} {0 CHEMBL226414,1 0.239,2 49.555,3 0.423,4 0.81,11 0.727,12 3.523,13 3.17,14 2.17,15 2.686,16 5.712,17 0.865,18 1.021,19 0.13,20 -0.126,21 -0.128,22 0.229,23 -0.045,24 0.422,25 0.35,26 0.504,27 3.185,28 0.535,30 -2.843,31 0.826,32 2.17,33 22.339,34 5.712,35 24.501,36 11.68,37 2.686,38 14.069,39 28.97,40 31.223,41 16.223,42 15.898,43 15.987,44 0.496,45 0.111,46 36.667,47 0.868,48 6.35,49 245.92,50 221.912,51 260.42,52 198,56 1.107,60 0.48,61 0.351,62 0.693,67 1.319,68 1.026,75 -0.197,77 3.434,78 0.015,79 2.778,80 1,81 1.882,82 24.851,83 -0.493,84 -0.5,85 -0.63,86 -0.77,87 1.026,88 1.208,89 -0.731,97 0.281,98 0.063,99 0.11,100 0.07,101 0.21,102 0.562,103 2.303,104 0.104,107 0.531,108 -0.318,109 -0.303,110 9.5,111 4,112 25.609,113 40,114 1.547,115 4.2,116 0.243,117 29.525,118 8.229,119 3.001,120 3.066,121 2.519,122 2.272,123 4.476,124 2.347,125 3.426,126 3.535,127 2.868,128 2.56,129 5.158,130 2.61,131 3.751,132 3.888,133 2.951,134 2.634,135 5.476,136 2.697,137 3.814,138 3.97,139 2.711,140 2.382,141 5.597,142 2.472,143 3.405,144 3.604,145 2.243,146 1.763,147 5.49,148 1.817,149 2.256,150 2.54,151 0.39,152 0.821,153 0.708,154 0.635,155 0.899,156 0.007,157 0.135,158 0.067,165 0.188,166 3.528,167 1.461,168 1.699,169 0.258,170 6.01,171 2.099,172 96.334,173 2.83,174 0.689,175 0.275,176 9.654,177 2.211,178 142.223,179 3.324,180 0.912,181 0.203,182 11.964,183 1.578,184 174.888,185 2.693,186 0.727,187 0.099,188 8.994,189 0.842,190 144.889,191 1.802,192 0.19,193 0.027,194 3.001,195 0.24,196 0.596,197 0.003,198 0.361,199 0.037,200 0.109,207 2.244} {0 CHEMBL226521,1 0.237,2 51.21,3 0.476,4 0.931,7 1,9 1,10 2,11 0.286,12 3.536,13 3.197,14 2.2,15 2.697,16 5.91,17 1.034,18 1.001,19 -0.052,20 -0.095,21 -0.084,22 0.068,23 -0.161,24 -0.072,25 -0.055,26 0.011,27 3.216,28 0.192,29 2.398,30 -2.876,31 0.941,32 2.2,33 22.871,34 5.91,35 25.112,36 11.857,37 2.697,38 14.256,39 29.686,40 31.982,41 16.441,42 16.146,43 16.537,44 0.5,45 0.105,46 134.221,47 1.043,48 6.447,49 294.07,50 264.311,51 311.6,52 238,53 -0.773,54 -1.425,55 -1.809,56 -0.062,57 -1.809,58 -0.415,59 -0.817,60 0.333,61 0.344,62 5.461,63 -1.942,64 -1.584,65 -5.197,66 -1.818,67 0.996,68 1.009,69 1.223,70 1.216,71 1.411,72 1.289,73 1.371,74 0.021,75 -0.042,76 -5.197,77 5.274,78 0.721,79 134.871,80 4,81 2.451,82 34.454,83 -0.35,84 -0.79,85 -0.9,86 -1.02,87 0.988,88 1.166,89 -0.439,90 -0.336,91 -0.634,92 -1.345,93 -1.414,94 -0.757,95 -2.794,96 -1.254,97 0.852,98 0.066,99 0.12,100 0.059,101 0.134,102 0.032,103 3.045,104 0.138,105 -1.345,106 -2.794,107 0.542,108 -0.079,109 -0.031,110 9.071,111 3.571,112 34.645,113 50,114 1.493,115 6.5,116 0.123,117 45.256,118 7.365,119 3.414,120 3.502,121 2.85,122 2.723,123 4.745,124 2.752,125 3.907,126 4.05,127 3.143,128 3.066,129 5.387,130 3.041,131 4.268,132 4.477,133 3.243,134 3.196,135 5.654,136 3.155,137 4.31,138 4.509,139 3.233,140 3.119,141 5.8,142 3.111,143 4.218,144 4.42,145 3.102,146 2.929,147 5.912,148 2.921,149 3.95,150 4.168,151 2.641,152 2.628,153 2.612,154 3.676,155 3.874,156 2.502,157 2.197,158 2.228,159 3.172,160 3.391,161 1.754,162 1.557,163 4.985,164 1.554,165 0.311,166 6.284,167 2.492,168 3.159,169 0.451,170 10.996,171 3.766,172 108.615,173 5.31,174 0.806,175 0.517,176 17.605,177 4.343,178 167.13,179 6.836,180 0.963,181 0.474,182 18.972,183 3.883,184 189.874,185 6.305,186 1.062,187 0.388,188 17.925,189 3.198,190 214.361,191 5.387,192 0.683,193 0.28,194 13.693,195 2.268,196 3.96,197 0.174,198 10.802,199 1.394,200 2.602,201 0.497,202 0.081,203 6.827,204 0.659,205 91.52,206 1.365,207 3.357} {0 CHEMBL226522,1 0.184,2 39.873,3 0.391,4 0.868,11 0.556,12 3.535,13 3.194,14 2.197,15 2.697,16 5.904,17 1.019,18 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