@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2366

@attribute molecule_id {CHEMBL104505,CHEMBL104937,CHEMBL1790541,CHEMBL179941,CHEMBL181595,CHEMBL181599,CHEMBL182220,CHEMBL182303,CHEMBL182309,CHEMBL182460,CHEMBL182547,CHEMBL182959,CHEMBL183021,CHEMBL185345,CHEMBL185515,CHEMBL2315234,CHEMBL2315235,CHEMBL2315236,CHEMBL2315237,CHEMBL2315238,CHEMBL2315239,CHEMBL2315240,CHEMBL2315241,CHEMBL2315242,CHEMBL2315243,CHEMBL2315244,CHEMBL2315245,CHEMBL2315246,CHEMBL2315247,CHEMBL294290,CHEMBL294326,CHEMBL308379,CHEMBL319047,CHEMBL360195,CHEMBL360703,CHEMBL362600,CHEMBL426433,CHEMBL448737,CHEMBL59660,CHEMBL59998,CHEMBL60160,CHEMBL61933,CHEMBL62222,CHEMBL64202}
@attribute SaasC numeric
@attribute Eig03_EA.bo. numeric
@attribute SM13_AEA.ri. numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_PL numeric
@attribute MCD numeric
@attribute piPC05 numeric
@attribute SM08_EA.bo. numeric
@attribute Eig01_EA.bo. numeric
@attribute MATS3e numeric
@attribute RBF numeric
@attribute SM11_AEA.ri. numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpMax_EA.bo. numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.v. numeric
@attribute SM09_EA.bo. numeric
@attribute ATS7p numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute LOC numeric
@attribute ATSC3e numeric
@attribute ATSC6s numeric
@attribute SsNH2 numeric
@attribute SdNH numeric
@attribute SpMax1_Bh.p. numeric
@attribute ATSC3s numeric
@attribute ATSC8e numeric
@attribute piPC04 numeric
@attribute SM06_EA.bo. numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7m numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8v numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC5i numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC8v 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.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig15_EA.bo. numeric
@attribute Eta_F numeric
@attribute IDM numeric
@attribute MAXDP numeric
@attribute MWC04 numeric
@attribute Psi_e_0 numeric
@attribute Psi_e_1 numeric
@attribute RDSQ numeric
@attribute SM02_EA.ed. numeric
@attribute SssNH numeric
@attribute X2 numeric
@attribute X2sol numeric
@attribute X2v numeric
@attribute X4v numeric
@attribute ZM2MulPer numeric
@attribute C.025 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DP numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_05_PL numeric
@attribute MATS1s numeric
@attribute N.066 numeric
@attribute N.074 numeric
@attribute NdNH numeric
@attribute nN.C.N. numeric
@attribute nRNH2 numeric
@attribute NsNH2 numeric
@attribute PCD numeric
@attribute X1A numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_EA.bo. numeric
@attribute P_VSA_LogP_5 numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_EA.dm. numeric
@attribute MATS1v numeric
@attribute nRCONHR numeric
@attribute O.058 numeric
@attribute PDI numeric
@attribute SdO numeric
@attribute SM07_EA.dm. numeric
@attribute SM08_EA.dm. numeric
@attribute SM09_EA.dm. numeric
@attribute SM10_EA.dm. numeric
@attribute SM11_EA.dm. numeric
@attribute SM12_EA.dm. numeric
@attribute SM13_EA.dm. numeric
@attribute SM14_EA.dm. numeric
@attribute SM15_EA.dm. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SpMax_EA.dm. numeric
@attribute PW5 numeric
@attribute ATS8s numeric
@attribute CIC3 numeric
@attribute Eig06_EA.ed. numeric
@attribute GGI8 numeric
@attribute Rperim numeric
@attribute SM15_AEA.dm. numeric
@attribute SpMin6_Bh.e. numeric
@attribute SpMax1_Bh.v. numeric
@attribute SpMAD_EA.ri. numeric
@attribute GNar numeric
@attribute HNar numeric
@attribute X0A numeric
@attribute ATSC8s numeric
@attribute DELS numeric
@attribute ATSC6e numeric
@attribute SpMAD_EA.bo. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute CIC4 numeric
@attribute Eta_betaS_A numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1v 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 ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS5i numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC4p numeric
@attribute ATSC4v numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5v numeric
@attribute BBI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute C.006 numeric
@attribute C.024 numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_05_DL numeric
@attribute pXC50 numeric

@data
{1 2.842,2 3.477,3 3.477,4 2,5 2,6 0.759,7 6.294,8 12.576,9 4.523,10 -0.137,11 0.1,12 4.523,13 7.523,14 4.523,15 2.085,16 2.069,17 2.149,18 13.806,19 3.988,20 4.634,21 4.86,22 1.292,23 21.118,24 8.253,25 0.674,26 0.178,27 43.332,28 5.646,29 7.706,30 4.068,31 34.025,32 0.253,33 5.657,34 9.884,35 3.928,36 3.982,37 3.929,38 4.67,39 3.976,40 3.971,41 3.933,42 4.636,43 4.813,44 4.004,45 3.981,46 5.919,47 3.954,48 3.93,49 5.924,50 3.932,51 3.831,52 3.916,53 3.84,54 1.381,55 21.949,56 1.326,57 1.322,58 19.238,59 7.455,60 1.386,61 21.592,62 7.688,63 11.208,64 15.844,65 15.844,66 15.844,67 15.844,68 15.844,69 11.383,70 5.704,71 16.286,72 1.447,73 -0.228,74 34.925,75 8.444,76 5.813,77 6.742,78 10.642,79 4.539,80 258.573,81 6.627,82 6.05,83 12.689,84 12.689,85 6.391,86 2.969,87 459.894,88 4,89 1,90 1,91 1,92 1,93 1,94 1,95 1,96 -0.182,97 1,98 1,99 1,100 1,101 1,102 1,103 3.995,104 0.441,105 2.989,106 2.158,107 84.808,108 3.583,109 1.058,110 0.087,112 1,113 1.036,114 12.813,116 1.431,118 1.512,120 1.6,122 1.691,124 5.583,125 2.117,126 3.583,127 1.058,128 0.103,129 5.799,130 0.442,131 5.898,132 0.325,133 22,134 5.898,135 1.176,136 4.069,137 1.448,138 2.111,139 2,140 0.697,141 40.571,142 27.195,143 0.252,144 2.077,145 4.117,146 4.139,147 0.34,148 0.647,149 3.6,150 3.551,151 3.547,152 3.944,153 3.919,154 5.658,155 3.892,156 4.652,157 4.836,158 3.994,159 4.033,160 3.988,161 4.699,162 4.909,163 4.88,164 0.733,165 7.91,166 1.112,167 12.786,168 1.363,169 19.131,170 7.611,171 7.995,172 10.35,173 21.828,174 8.066,175 10.567,176 44,177 -4.26,178 -4.2,179 -3.97,181 11,182 3,183 5,184 7.398}
{0 CHEMBL104937,1 2.028,2 3.423,3 3.423,4 2,5 2,6 0.727,7 5.99,8 12.311,9 4.4,10 -0.087,11 0.077,12 4.4,13 7.4,14 4.4,15 2.082,16 2.066,17 2.144,18 13.53,19 3.358,20 3.911,21 4.16,22 0.572,23 10.969,24 4.676,25 0.797,26 0.091,27 31.322,28 5.488,29 7.46,30 4.06,31 27.003,32 0.048,33 5.362,34 9.628,35 3.542,36 3.701,37 3.616,38 4.329,39 3.443,40 3.56,41 3.484,42 4.138,43 4.331,44 3.327,45 3.442,46 5.403,47 3.374,48 3.084,49 5.183,50 3.246,51 2.933,52 3.208,53 3.08,54 1.022,55 18.048,56 0.878,57 0.738,58 12.802,59 5.039,60 0.702,61 12.912,62 4.915,63 6.57,64 11.85,65 11.85,66 11.85,67 11.85,68 11.85,69 8.48,70 4.193,71 11.97,72 0.535,73 -1.418,74 23.092,75 7.588,76 5.268,77 6.441,78 8.074,79 3.427,80 168.086,81 6.33,82 2.859,83 9.627,84 9.627,85 5.011,86 2.279,87 325.192,88 4,89 1,90 1,91 1,92 1,93 1,94 1,95 2,96 -0.182,97 1,98 1,99 1,100 1,101 1,102 1,103 3.323,104 0.443,105 2.811,106 1.859,107 45.946,108 3.576,109 1.058,110 0.113,112 1,113 1.029,114 12.268,116 1.43,118 1.512,120 1.6,122 1.691,124 5.576,125 2.117,126 3.576,127 1.058,128 0.097,129 4.846,130 0.615,131 3.628,132 0.148,133 16,134 3.628,135 0.933,136 4.058,137 1.476,138 2.07,139 1.941,140 0.706,141 14.339,142 19.15,143 0.111,144 2.098,145 4.102,146 4.121,147 0.324,148 0.602,149 3.307,150 3.336,151 3.312,152 3.647,153 3.706,154 5.377,155 3.658,156 4.409,157 4.589,158 3.689,159 3.813,160 3.745,161 4.446,162 4.664,163 4.561,164 0.52,165 6.613,166 0.779,167 10.457,168 1.007,169 15.726,170 6.618,171 6.83,172 8.962,173 16.915,174 6.366,175 8.381,176 33,177 -4.8,178 -4.71,179 -4.43,181 11,182 1,183 6,184 6.488}
{0 CHEMBL1790541,1 1.703,2 3.459,3 3.459,4 1,5 1,6 0.397,7 6.188,8 12.429,9 4.13,10 0.037,11 0.161,12 4.13,13 7.13,14 4.13,15 1.949,16 1.928,17 2.052,18 13.496,19 4.94,20 5.869,21 6.11,22 3.693,23 84.232,24 27.229,25 1.263,26 0.916,27 212.115,28 5.55,29 7.573,30 3.938,31 140.177,32 1.822,33 5.749,34 9.947,35 4.772,36 4.806,37 4.754,38 5.745,39 4.765,40 4.812,41 4.753,42 5.739,43 5.962,44 4.757,45 4.875,46 6.838,47 4.802,48 4.803,49 6.939,50 4.859,51 4.813,52 4.975,53 4.876,54 3.185,55 72.204,56 3.203,57 3.312,58 72.51,59 23.41,60 3.559,61 79.312,62 25.94,63 38.992,64 29.936,65 29.936,66 29.936,67 29.936,68 29.936,69 24.271,70 10.726,71 30.677,72 2.914,73 1.847,74 73.842,75 10.415,76 7.003,77 7.339,78 21.743,79 9.34,80 611.149,81 7.239,82 5.645,83 24.588,84 24.588,85 14.143,86 6.437,87 827.674,88 3,89 1,90 1,91 1,92 1,93 1,94 1,95 1,96 -0.044,97 1,98 1,99 1,100 1,101 1,102 1,103 4.428,104 0.455,105 3.829,106 3.066,107 57.742,108 3.966,109 2.612,110 0.02,111 1,112 4,113 0.923,114 76.608,115 7.107,116 8.257,117 8.928,118 9.987,119 10.768,120 11.779,121 12.627,122 13.613,123 14.504,124 5.966,125 4.612,126 3.966,127 2.612,128 0.086,129 7.056,130 0.603,131 7.021,132 0.877,133 23,134 7.021,135 1.635,136 3.941,137 1.43,138 1.965,139 1.813,140 0.727,141 318.818,142 91.941,143 1.282,144 1.849,145 4.04,146 4.072,147 0.479,148 0.621,149 4.276,150 4.254,151 4.234,152 4.616,153 4.639,154 6.472,155 4.588,156 5.605,157 5.822,158 4.725,159 4.805,160 4.734,161 5.726,162 5.946,163 5.967,164 1.558,165 22.805,166 2.43,167 42.295,168 3.053,169 61.29,170 21.204,171 21.8,172 30.715,173 74.936,174 21.846,175 30.903,176 82,177 -4.45,178 -4.38,179 -4.13,180 2,181 12,182 3,183 10,184 4.013}
{0 CHEMBL179941,1 6.483,2 3.559,3 3.559,4 2,5 2,6 0.793,7 6.274,8 12.599,9 4.395,10 -0.053,11 0.067,12 4.395,13 7.395,14 4.395,15 2.081,16 2.064,17 2.141,18 13.852,19 4.058,20 4.703,21 4.988,22 1.247,23 24.925,24 10.716,25 0.828,26 0.161,27 33.073,28 5.627,29 7.629,30 4.11,31 32.155,32 0.119,33 5.652,34 9.907,35 3.966,36 4.347,37 4.202,38 5.008,39 3.854,40 4.287,41 4.118,42 4.935,43 5.202,44 3.729,45 4.176,46 5.713,47 4,48 3.571,49 5.573,50 3.875,51 3.473,52 3.923,53 3.742,54 1.809,55 33.112,56 1.742,57 1.615,58 31.253,59 13.063,60 1.452,61 28.411,62 11.718,63 15.38,64 16.287,65 16.287,66 16.287,67 16.287,68 16.287,69 12.706,70 5.27,71 16.46,72 1.367,73 -0.328,74 25.509,75 8.389,76 2.629,77 6.905,78 10.738,79 4.688,80 267.963,81 6.88,83 13.31,84 13.31,85 8.772,86 4.615,87 388.27,88 7,89 1,90 1,91 1,92 1,93 1,94 1,95 2,96 -0.155,97 1,98 2,99 1,100 1,101 1,102 1,103 3.91,104 0.424,105 3.118,106 2.427,107 69.531,108 3.512,109 0.986,110 0.093,113 1.029,116 1.036,118 1.011,120 0.99,122 0.971,124 5.512,125 1.972,126 3.512,127 0.986,128 0.103,129 5.385,130 0.648,131 6.864,132 0.23,133 23,134 6.864,135 1.201,136 4.105,137 1.516,138 2.15,139 2,140 0.694,141 19.968,142 16.908,143 0.168,144 1.994,145 4.152,146 4.176,147 0.491,148 0.603,149 3.61,150 3.746,151 3.688,152 3.958,153 4.158,154 5.578,155 4.07,156 4.906,157 5.113,158 4.068,159 4.336,160 4.225,161 5.01,162 5.243,163 5.264,164 0.772,165 12.353,166 1.273,167 21.675,168 1.653,169 29.258,170 12.269,171 13.512,172 19.371,173 33.338,174 14.23,175 20.358,176 49,177 -6.28,178 -6.12,179 -5.68,180 1,181 9,183 4,184 7.276}
{0 CHEMBL181595,1 4.689,2 3.451,3 3.451,4 2,5 2,6 0.786,7 6.23,8 12.52,9 4.512,10 -0.091,11 0.115,12 4.512,13 7.512,14 4.512,15 2.092,16 2.074,17 2.157,18 13.742,19 4.052,20 4.692,21 4.935,22 1.366,23 23.705,24 9.137,25 0.615,26 0.136,27 28.77,28 5.688,29 7.738,30 4.074,31 27.916,32 0.261,33 5.604,34 9.829,35 3.823,36 4.07,37 3.955,38 4.757,39 3.847,40 4.053,41 3.948,42 4.705,43 4.925,44 3.903,45 4.058,46 5.741,47 3.967,48 3.838,49 5.761,50 3.952,51 3.747,52 3.978,53 3.86,54 1.461,55 25.173,56 1.437,57 1.408,58 23.069,59 9.096,60 1.467,61 25.07,62 8.955,63 12.945,64 15.366,65 15.366,66 15.366,67 15.366,68 15.366,69 11.086,70 5.623,71 15.766,72 1.437,73 -0.342,74 30.171,75 8.335,76 2.738,77 6.688,78 10.269,79 4.307,80 243,81 6.547,82 3.318,83 12.16,84 12.16,85 6.676,86 3.253,87 404.134,88 5,89 1,90 1,91 1,92 1,93 1,94 1,95 1,96 -0.188,97 1,98 1,99 1,100 1,101 1,102 1,103 4.007,104 0.442,105 2.92,106 2.089,107 85.237,108 3.205,109 0.6,110 0.076,113 1.034,116 0.034,118 0.012,120 0.004,122 0.002,124 5.205,125 1.2,126 3.205,127 0.6,128 0.102,129 5.715,130 0.587,131 5.898,132 0.254,133 22,134 5.898,135 1.183,136 4.072,137 1.441,138 2.137,139 2.049,140 0.691,141 39.042,142 17.189,143 0.182,144 2.055,145 4.119,146 4.142,147 0.49,148 0.625,149 3.56,150 3.595,151 3.565,152 3.887,153 3.976,154 5.569,155 3.916,156 4.707,157 4.91,158 3.917,159 4.105,160 4.014,161 4.767,162 5.002,163 5.005,164 0.728,165 9.493,166 1.136,167 15.88,168 1.411,169 22.437,170 9.024,171 9.766,172 13.832,173 25.559,174 9.693,175 13.836,176 42,177 -5.41,178 -5.29,179 -4.94,181 11,182 2,183 4,184 6.777}
{0 CHEMBL181599,1 4.654,2 3.461,3 3.461,4 2,5 2,6 0.826,7 6.084,8 12.477,9 4.509,10 -0.049,11 0.07,12 4.509,13 7.509,14 4.509,15 2.078,16 2.065,17 2.129,18 13.752,19 3.62,20 4.038,21 4.281,22 0.622,23 22.78,24 6.377,25 0.777,26 0.097,27 24.936,28 5.594,29 7.586,30 4.114,31 22.604,32 0.074,33 5.464,34 9.748,35 4.104,36 4.031,37 3.864,38 4.55,39 4.052,40 3.934,41 3.748,42 4.336,43 4.545,44 3.917,45 3.758,46 5.349,47 3.589,48 3.595,49 5.154,50 3.433,51 3.491,52 3.438,53 3.256,54 1.121,55 26.651,56 1.061,57 0.838,58 34.987,59 8.189,60 0.78,61 27.902,62 7.4,63 8.122,64 12.849,65 12.849,66 12.849,67 12.849,68 12.849,69 9.642,70 4.311,71 13.197,72 0.61,73 -1.142,74 18.72,75 7.725,76 2.586,77 6.645,78 8.472,79 3.686,80 190.81,81 6.608,83 10.411,84 11.153,85 7.066,86 3.82,87 332.224,88 5,89 1,90 1,91 1,92 1,93 1,94 1,95 1,96 -0.192,97 1,98 1,99 1,100 1,101 1,102 1,103 3.422,104 0.428,105 2.792,106 1.843,107 49.43,108 3.506,109 0.6,110 0.105,113 1.049,116 0.033,118 0.012,120 0.004,122 0.002,124 5.506,125 1.2,126 3.506,127 0.6,128 0.101,129 4.878,130 0.469,131 5.134,132 0.144,133 19,134 5.134,135 1.104,136 4.103,137 1.466,138 2.141,139 2,140 0.695,141 13.308,142 12.838,143 0.157,144 2.042,145 4.142,146 4.162,147 0.35,148 0.587,149 3.54,150 3.497,151 3.437,152 3.928,153 3.891,154 5.298,155 3.795,156 4.521,157 4.706,158 4.096,159 4.052,160 3.924,161 4.589,162 4.799,163 4.796,164 0.502,165 6.02,166 0.787,167 11.168,168 1.043,169 22.536,170 8.667,171 9.706,172 12.641,173 37.739,174 10.553,175 13.33,176 38,177 -6.25,178 -6.08,179 -5.65,181 10,183 2,184 6.476}
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