@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1075277

@attribute molecule_id {CHEMBL222649,CHEMBL249915,CHEMBL250119,CHEMBL250720,CHEMBL251327,CHEMBL251719,CHEMBL400387,CHEMBL400750,CHEMBL437501,CHEMBL443319}
@attribute ATS1i numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS4i numeric
@attribute ATS5i numeric
@attribute ATS6i numeric
@attribute ATS7i numeric
@attribute ATS7s numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC4e numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5s numeric
@attribute ATSC6e numeric
@attribute ATSC6s numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute BIC0 numeric
@attribute CIC0 numeric
@attribute DELS numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eta_betaS_A numeric
@attribute Eta_L numeric
@attribute GATS5i numeric
@attribute GATS5p numeric
@attribute ICR numeric
@attribute JGI7 numeric
@attribute MATS4p numeric
@attribute MATS5v numeric
@attribute MATS7v numeric
@attribute MATS8i numeric
@attribute MAXDN numeric
@attribute ON1V numeric
@attribute P_VSA_MR_1 numeric
@attribute P_VSA_MR_8 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_s_6 numeric
@attribute PW2 numeric
@attribute RBN numeric
@attribute S3K numeric
@attribute SaasC numeric
@attribute SdssC numeric
@attribute Si numeric
@attribute SIC0 numeric
@attribute SM02_AEA.ri. numeric
@attribute SM15_AEA.bo. numeric
@attribute SpMAD_AEA.bo. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMin5_Bh.m. numeric
@attribute SpMin5_Bh.s. numeric
@attribute SpMin6_Bh.m. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin7_Bh.e. numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMin7_Bh.p. numeric
@attribute SpMin7_Bh.s. numeric
@attribute SpMin7_Bh.v. numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.v. numeric
@attribute SsssCH numeric
@attribute SssssC numeric
@attribute ZM1Kup 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 ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7v numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1m numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5v numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6v numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute Br.094 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.011 numeric
@attribute C.013 numeric
@attribute C.016 numeric
@attribute C.018 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute pXC50 numeric

@data
{1 4.481,2 4.941,3 5.117,4 5.243,5 5.467,6 5.568,7 5.511,8 5.512,9 5.618,10 6.547,11 5.464,12 5.691,13 0.071,14 1.053,15 7.71,16 19.477,17 9.752,18 0.475,19 12.447,20 72.315,21 16.455,22 0.548,23 0.624,24 122.699,25 22.435,26 1.111,27 169.426,28 0.665,29 125.905,30 0.863,31 2.37,32 172.509,33 24.126,34 0.807,35 0.243,36 4.645,37 52.922,38 3.59,39 3.321,40 2.989,41 2.001,42 4.962,43 1.964,44 0.615,45 9.703,46 0.915,47 0.905,48 2.949,49 0.014,50 -0.013,51 0.037,52 0.005,53 -0.026,54 4.584,55 4.514,56 364.904,58 411.989,59 105.603,60 0.572,61 11,62 9.62,63 1.273,64 -0.637,65 83.52,66 0.252,67 4.962,68 2.001,69 1.49,70 3.7,71 3.742,72 3.541,73 3.552,74 3.557,75 3.576,76 3.397,77 3.486,78 3.214,79 3.254,80 4.363,81 1.863,82 1.018,83 1.633,84 0.825,85 1.387,86 1.53,87 1.576,88 0.821,89 1.616,90 1.153,91 1.398,92 1.429,93 -1.118,95 551.849,96 1.565,97 12.595,98 3.645,99 13.287,100 144.283,101 7.132,102 0.308,103 4.364,104 3.991,105 3.908,106 5.376,107 3.847,108 4.258,109 4.283,110 6.087,111 4.198,112 4.3,113 4.437,114 6.266,115 4.314,116 5.323,117 4.288,118 4.401,119 6.376,120 4.284,121 5.283,122 4.339,123 4.378,124 6.51,125 4.284,126 5.294,127 4.337,128 4.448,129 6.365,130 4.347,131 5.393,132 4.452,133 4.546,134 4.441,135 4.481,136 4.639,137 6.536,138 4.502,139 19.371,140 1.677,141 33.464,142 2.1,143 48.113,144 16.383,145 84.374,146 21.979,147 2.148,148 53.795,149 16.364,150 2.076,151 52.016,152 15.382,153 20.765,154 2.15,155 50.888,156 16.043,157 21.545,158 55.515,159 17.671,160 2.546,161 61.855,162 21.164,163 132.421,164 27.87,165 39,166 52,167 0.548,168 0.741,169 0.806,170 0.831,171 0.835,172 3.642,173 1.096,174 -3.68,175 -3.65,176 -3.48,178 37.8,179 2,180 3,181 1,183 4,186 1,187 1,188 10,189 1,190 1,191 1,192 1,193 15,194 2,195 3,196 3,197 17,198 1,199 7,200 1,201 3,202 10,203 9,205 4,206 6,207 3,208 9,209 5,210 6,211 7,212 7,214 5,215 8,216 2,217 9,218 4,219 11,220 6.411}
{0 CHEMBL249915,1 3.992,2 4.479,3 4.619,4 4.766,5 4.958,6 4.989,7 5.028,8 5.096,9 5.07,10 6.901,11 4.794,12 4.985,13 0.299,14 0.954,15 4.802,16 71.99,17 4.466,18 1.131,19 7.807,20 229.523,21 8.013,22 1.426,23 1.352,24 261.359,25 9.656,26 1.714,27 341.593,28 2.051,29 397.197,30 2.311,31 2.067,32 488.917,33 11.419,34 1.676,35 0.354,36 3.432,37 78.109,38 3.812,39 3.481,40 2.331,41 1.368,42 3.863,43 1.298,44 0.63,45 6.506,46 1.201,47 0.986,48 2.551,49 0.017,50 -0.05,51 -0.005,52 0.084,53 -0.188,54 6.125,55 2.366,56 144.442,58 236.407,59 160.358,60 0.611,61 7,62 6.289,63 -1.119,64 -1.018,65 51.139,66 0.371,67 3.863,68 1.368,69 1.584,70 3.391,71 3.421,72 3.133,73 3.169,74 2.965,75 3.044,76 2.763,77 2.975,78 2.854,79 2.925,80 6.817,81 1.496,82 0.697,83 1.377,84 0.585,85 0.886,86 1.181,87 1.12,88 0.218,89 1.12,90 0.789,91 1.062,92 1.107,93 -4.143,94 -6.043,95 738.822,96 2.028,97 9.333,98 1.799,99 3.237,100 87.647,101 9.26,102 0.214,103 3.897,104 3.747,105 3.429,106 5.137,107 3.418,108 4.063,109 3.745,110 6.262,111 3.746,112 4.051,113 3.847,114 6.213,115 3.836,116 4.786,117 4.147,118 3.842,119 6.231,120 3.855,121 4.849,122 4.266,123 3.877,124 6.525,125 3.917,126 4.912,127 4.404,128 3.943,129 6.593,130 3.945,131 4.892,132 4.385,133 3.924,134 3.939,135 3.954,136 3.734,137 6.466,138 3.749,139 7.963,140 1.696,141 20.105,142 1.554,143 25.944,144 8.501,145 239.099,146 9.27,147 1.674,148 28.505,149 8.926,150 1.937,151 29.973,152 9.945,153 9.223,154 2.025,155 35.449,156 11.267,157 9.761,158 37.982,159 11.349,160 1.646,161 29.067,162 9.463,163 344.417,164 8.834,165 92,166 43,167 0.688,168 0.804,169 0.828,170 0.828,171 0.828,172 3.34,173 1.061,174 -2.54,175 -2.57,176 -2.5,178 36.4,180 2,182 1,183 1,184 1,185 1,188 4,189 1,190 1,191 2,193 5,194 1,195 1,196 3,197 4,199 2,200 2,201 2,202 2,203 2,204 2,205 2,207 3,208 1,209 2,210 3,212 4,213 1,214 2,217 10,218 2,219 2,220 5.784}
{0 CHEMBL250119,1 3.971,2 4.427,3 4.579,4 4.699,5 4.897,6 4.96,7 4.99,8 5.055,9 4.993,10 6.638,11 4.692,12 4.893,13 0.258,14 0.938,15 4.57,16 56.195,17 4.453,18 0.984,19 7.647,20 190.049,21 7.982,22 1.183,23 1.175,24 225.887,25 9.607,26 1.458,27 284.464,28 1.875,29 345.1,30 1.835,31 1.982,32 378.906,33 11.303,34 1.324,35 0.349,36 3.447,37 68.606,38 3.456,39 2.995,40 2.287,41 1.34,42 3.718,43 1.244,44 0.625,45 6.601,46 1.21,47 0.994,48 2.562,49 0.017,50 -0.05,51 -0.006,52 0.079,53 -0.202,54 6.016,55 2.339,56 144.442,57 19.133,58 236.407,59 138.201,60 0.6,61 7,62 5.871,63 -0.969,64 -0.824,65 49.929,66 0.365,67 3.718,68 1.34,69 1.58,70 3.347,71 3.375,72 3.114,73 3.131,74 2.965,75 3.044,76 2.762,77 2.975,78 2.854,79 2.925,80 4.637,81 1.495,82 0.693,83 1.376,84 0.579,85 0.886,86 1.181,87 1.111,88 0.218,89 1.107,90 0.775,91 1.062,92 1.093,93 -3.678,94 -5.825,95 691.087,96 1.979,97 9.308,98 1.703,99 2.901,100 88.17,101 9.103,102 0.222,103 3.868,104 3.66,105 3.404,106 5.118,107 3.39,108 3.983,109 3.718,110 6.115,111 3.699,112 4.017,113 3.819,114 6.123,115 3.8,116 4.751,117 4.099,118 3.823,119 6.165,120 3.824,121 4.802,122 4.197,123 3.854,124 6.398,125 3.878,126 4.863,127 4.352,128 3.91,129 6.547,130 3.895,131 4.794,132 4.208,133 3.869,134 3.838,135 3.856,136 3.68,137 6.277,138 3.673,139 7.273,140 1.68,141 19.877,142 1.542,143 24.293,144 8.21,145 184.3,146 9.14,147 1.662,148 28.062,149 8.866,150 1.923,151 29.303,152 9.84,153 9.169,154 2.007,155 34.877,156 11.014,157 9.652,158 36.114,159 10.892,160 1.617,161 26.591,162 9.067,163 262.468,164 8.636,165 75,166 40,167 0.691,168 0.811,169 0.836,170 0.836,171 0.836,172 3.304,173 1.045,174 -2.58,175 -2.6,176 -2.54,178 37.2,180 2,182 1,183 1,184 1,185 1,188 4,189 1,190 1,191 2,193 5,195 1,196 3,197 4,199 2,200 2,201 2,202 2,203 2,204 1,205 2,207 2,208 1,209 1,210 3,212 3,213 1,214 2,217 6,218 2,219 2,220 5.234}
{0 CHEMBL250720,1 4.128,2 4.6,3 4.723,4 4.894,5 5.072,6 5.134,7 5.178,8 5.222,9 5.217,10 6.807,11 4.99,12 5.154,13 0.229,14 0.956,15 5.323,16 55.165,17 5.039,18 1.022,19 9.178,20 205.004,21 9.08,22 1.115,23 1.226,24 228.085,25 11.985,26 1.63,27 330.201,28 1.877,29 337.468,30 1.883,31 2.129,32 387.089,33 13.565,34 1.279,35 0.334,36 3.671,37 77.678,38 3.788,39 3.356,40 2.569,41 1.625,42 4.748,43 1.511,44 0.617,45 7.641,46 1.255,47 0.81,48 2.591,49 0.019,50 -0.105,51 0.022,52 0.072,53 -0.203,54 6.048,55 2.853,56 153.024,57 45.954,58 244.989,59 145.398,60 0.603,61 8,62 6.41,63 0.319,64 -0.977,65 58.056,66 0.353,67 4.748,68 1.625,69 1.573,70 3.539,71 3.56,72 3.348,73 3.35,74 3.365,75 3.371,76 3.151,77 3.041,78 2.887,79 2.954,80 4.753,81 1.508,82 0.723,83 1.438,84 0.694,85 1.126,86 1.181,87 1.351,88 0.394,89 1.323,90 0.886,91 1.074,92 1.107,93 -4.03,94 -5.966,95 731.366,96 2.002,97 10.188,98 3.919,99 15.355,100 114.831,101 10.4,102 0.353,103 4.041,104 3.982,105 3.664,106 5.236,107 3.629,108 4.379,109 4.024,110 6.287,111 3.98,112 4.437,113 4.164,114 6.258,115 4.091,116 4.957,117 4.416,118 4.116,119 6.399,120 4.088,121 5.006,122 4.588,123 4.118,124 6.629,125 4.12,126 5.045,127 4.748,128 4.186,129 6.686,130 4.171,131 5.046,132 4.556,133 4.21,134 4.196,135 4.523,136 4.179,137 6.608,138 4.185,139 6.105,140 1.854,141 14.412,142 1.845,143 36.696,144 12.435,145 168.154,146 12.54,147 1.946,148 39.358,149 12.751,150 2.234,151 41.06,152 13.498,153 11.531,154 2.424,155 38.752,156 14.205,157 12.102,158 47.578,159 14.516,160 2.192,161 33.952,162 12.819,163 260.491,164 12.162,165 69,166 51,167 0.639,168 0.749,169 0.823,170 0.832,171 0.832,172 3.503,173 1.058,174 -3.91,175 -3.87,176 -3.67,177 1,178 41.2,180 2,183 1,184 1,185 1,188 9,189 1,190 2,191 2,193 9,194 1,195 1,196 3,197 10,199 6,200 2,201 2,202 7,203 6,204 2,205 2,207 3,208 1,209 2,210 6,212 8,213 1,214 6,217 12,218 4,219 4,220 5.878}
{0 CHEMBL251327,1 4.143,2 4.629,3 4.778,4 4.922,5 5.129,6 5.154,7 5.19,8 5.248,9 5.247,10 6.953,11 5.026,12 5.216,13 0.263,14 1.062,15 5.674,16 68.343,17 5.688,18 1.11,19 9.355,20 231.798,21 10.161,22 1.378,23 1.354,24 267.5,25 12.248,26 1.794,27 365.253,28 2.021,29 384.774,30 2.371,31 2.393,32 498.649,33 13.718,34 1.651,35 0.327,36 3.734,37 83.94,38 3.819,39 3.482,40 2.995,41 2.078,42 5.866,43 1.857,44 0.633,45 8.116,46 1.165,47 0.973,48 2.603,49 0.016,50 -0.088,51 -0.057,52 0.077,53 -0.145,54 6.122,55 3.033,56 179.756,58 283.491,59 160.358,60 0.61,61 9,62 6.767,63 -1.089,64 -0.982,65 58.969,66 0.342,67 5.866,68 2.078,69 1.567,70 3.565,71 3.594,72 3.352,73 3.363,74 3.378,75 3.397,76 3.156,77 3.042,78 2.906,79 2.966,80 6.817,81 1.513,82 0.825,83 1.5,84 0.714,85 1.153,86 1.402,87 1.376,88 0.661,89 1.429,90 1.01,91 1.25,92 1.251,93 -4.151,94 -6.038,95 758.822,96 1.938,97 9.567,98 2.619,99 6.861,100 99.589,101 8.775,102 0.188,103 4.044,104 3.845,105 3.593,106 5.206,107 3.571,108 4.154,109 3.918,110 6.291,111 3.885,112 4.206,113 4.034,114 6.27,115 3.982,116 4.955,117 4.29,118 4.024,119 6.364,120 4.02,121 5.011,122 4.344,123 4.037,124 6.624,125 4.057,126 5.05,127 4.502,128 4.104,129 6.64,130 4.092,131 5.064,132 4.514,133 4.124,134 4.132,135 4.233,136 4.065,137 6.577,138 4.068,139 10.225,140 1.885,141 22.972,142 1.793,143 34.557,144 11,145 233.483,146 12.535,147 1.891,148 39.013,149 11.362,150 2.146,151 36.435,152 11.648,153 11.305,154 2.303,155 42.264,156 12.908,157 12.512,158 43.795,159 12.972,160 2.178,161 36.225,162 12.118,163 353.77,164 12.311,165 69,166 49,167 0.641,168 0.769,169 0.828,170 0.828,171 0.828,172 3.441,173 1.057,174 -3.22,175 -3.21,176 -3.08,178 37.3,180 4,181 1,183 2,184 1,185 1,188 4,189 1,190 1,191 2,193 8,194 1,195 1,196 3,197 4,199 4,200 2,201 2,202 2,203 6,204 2,205 2,207 3,208 1,209 2,210 4,212 5,213 1,214 5,217 12,218 4,219 3,220 5}
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