@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1772930

@attribute molecule_id {CHEMBL1774313,CHEMBL1774319,CHEMBL1774321,CHEMBL450375,CHEMBL456513,CHEMBL468166,CHEMBL472275,CHEMBL499125,CHEMBL506460,CHEMBL508777,CHEMBL660}
@attribute CATS2D_05_PL numeric
@attribute Chi0_EA.dm. numeric
@attribute Eta_betaS_A numeric
@attribute GATS1e numeric
@attribute GATS1m numeric
@attribute MATS4s numeric
@attribute X2Av numeric
@attribute X3Av numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute GATS3i numeric
@attribute GATS3p numeric
@attribute GATS3v numeric
@attribute MATS3p numeric
@attribute ATSC5e numeric
@attribute Eta_beta_A numeric
@attribute SpMax2_Bh.s. numeric
@attribute Eta_epsi_A numeric
@attribute MATS3v numeric
@attribute AAC numeric
@attribute AMW numeric
@attribute ATS3s numeric
@attribute ATSC5s numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eta_C_A numeric
@attribute Eta_F numeric
@attribute GATS1s numeric
@attribute GMTIV numeric
@attribute H. numeric
@attribute IC0 numeric
@attribute MATS7s numeric
@attribute Me numeric
@attribute Mv numeric
@attribute SpMax3_Bh.s. numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.v. numeric
@attribute X0Av numeric
@attribute ZM1Kup numeric
@attribute ZM1MulPer numeric
@attribute ZM1Per numeric
@attribute ZM1V numeric
@attribute ZM2Kup numeric
@attribute ZM2MulPer numeric
@attribute ZM2Per numeric
@attribute ZM2V numeric
@attribute ATSC6s numeric
@attribute IAC numeric
@attribute PDI numeric
@attribute TIC0 numeric
@attribute ATS2s numeric
@attribute AECC numeric
@attribute AMR 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 ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p 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 ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e 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 ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute pXC50 numeric

@data
{1 1,2 3.162,3 0.604,4 1.327,5 1.184,6 -0.025,7 0.242,8 0.146,9 1.748,10 3.057,11 1.328,12 1.339,13 1.325,14 -0.26,15 0.1,16 0.604,17 4.417,18 0.468,19 -0.256,20 1.123,21 5.333,22 5.176,23 10.519,24 2,25 -1.182,26 1.21,27 0.931,28 1.501,29 938,30 61.3,31 1.123,32 0.218,33 0.969,34 0.541,35 3.742,36 2.524,37 2.66,38 0.262,39 0.6,40 0.397,41 0.478,42 0.66,43 83.312,44 86.966,45 127.24,46 82,47 100.634,48 105.472,49 159.12,50 100,51 4.302,52 34.816,53 0.935,54 34.816,55 4.781,56 3.917,57 49.921,58 3.507,59 3.662,60 2.821,61 3.071,62 4.196,63 2.977,64 4.209,65 4.416,66 3.315,67 3.651,68 3.521,69 4.631,70 4.895,71 3.235,72 3.837,73 3.623,74 4.721,75 5.064,76 2.781,77 3.634,78 5.235,79 3.332,80 4.388,81 4.78,82 1.878,83 3.1,84 4.848,85 2.708,86 3.642,87 4.082,88 0.699,89 2.172,90 3.961,91 1.698,92 2.289,93 2.746,94 0.068,95 0.896,96 2.398,97 0.527,104 0.043,105 0.45,106 8.342,107 3.524,108 3.104,109 5.128,110 0.074,111 0.839,112 15.925,113 6.914,114 5.05,115 9.967,116 0.118,117 1.112,118 22.349,119 9.215,120 8.701,121 13.538,122 0.139,123 1.018,124 21.935,125 8.307,126 12.121,127 12.606,128 0.633,129 14.421,130 5.307,131 8.135,132 0.041,133 0.251,134 6.066,135 2.29,136 3.473,137 0.008,138 0.05,139 1.295,140 0.518,141 0.68,142 0.769,149 6,150 23,151 0.223,152 0.42,153 0.64,154 0.737,155 0.773,156 0.773,157 2.611,158 4.896}
{0 CHEMBL1774319,2 17.741,3 0.7,4 1.019,5 0.83,6 0.1,7 0.181,8 0.102,9 0.195,10 0.038,11 1.207,12 1.216,13 1.193,14 -0.23,15 0.109,16 0.833,17 4.276,18 0.513,19 -0.213,20 1.177,21 6.577,22 5.222,23 11.06,24 2.752,25 -0.371,26 1.068,27 4.143,28 1.014,29 2387,30 50,31 1.177,32 0.558,33 0.976,34 0.624,35 4.156,36 2.364,37 2.471,38 0.212,39 0.536,40 0.318,41 0.403,42 0.579,43 148.333,44 151.155,45 235.38,46 146,47 196.127,48 202.029,49 325.13,50 195,51 2.64,52 35.3,53 1.066,54 35.3,55 4.94,56 4.133,57 60.488,58 3.572,59 3.69,60 3.118,61 3.251,62 4.284,63 3.195,64 4.312,65 4.459,66 3.724,67 3.925,68 3.848,69 4.674,70 4.896,71 3.62,72 4.04,73 3.881,74 4.677,75 4.964,76 3.177,77 3.787,78 5.268,79 3.56,80 4.27,81 4.644,82 1.853,83 3.061,84 4.754,85 2.69,86 3.114,87 3.555,88 0.391,89 1.69,90 3.367,91 1.236,92 1.02,93 1.365,94 0.014,95 0.255,96 1.099,97 0.13,104 0.037,105 0.438,106 7.466,107 3.258,108 3.088,109 4.597,110 0.082,111 0.917,112 16.01,113 6.969,114 4.235,115 9.851,116 0.104,117 1.253,118 23.503,119 10.409,120 5.202,121 14.78,122 0.143,123 1.248,124 24.309,125 9.802,126 13.493,127 14.224,128 0.783,129 16.585,130 6.529,131 9.572,132 0.027,133 0.22,134 5.135,135 2.149,136 3.138,137 0.002,138 0.018,139 0.43,140 0.177,141 0.18,142 0.26,150 37,151 0.226,152 0.537,153 0.635,154 0.635,155 0.635,156 0.635,157 2.813,158 4.475}
{0 CHEMBL1774321,2 6.325,3 0.735,4 0.999,5 0.861,6 -0.004,7 0.193,8 0.107,9 0.436,10 0.19,11 1.166,12 1.168,13 1.148,14 -0.158,15 0.146,16 0.735,17 4.226,18 0.5,19 -0.144,20 1.15,21 6.26,22 5.307,23 6.855,24 2.956,25 -0.235,26 1.286,27 1.325,28 1.037,29 3023,30 52.8,31 1.15,32 0.227,33 0.974,34 0.605,35 4.152,36 2.488,37 2.608,38 0.179,39 1.176,40 1.044,41 1.096,42 0.594,43 156.333,44 158.132,45 254.82,46 154,47 220.127,48 225.505,49 370.81,50 219,51 3.815,52 41.407,53 1.107,54 41.407,55 5.015,56 4.412,57 63.642,58 3.77,59 3.889,60 3.294,61 3.445,62 4.329,63 3.383,64 4.518,65 4.68,66 3.838,67 4.087,68 3.992,69 4.879,70 5.111,71 3.793,72 4.227,73 4.063,74 4.925,75 5.202,76 3.561,77 4.105,78 5.357,79 3.9,80 4.731,81 5.059,82 2.747,83 3.692,84 5.116,85 3.384,86 4.188,87 4.605,88 1.446,89 2.819,90 4.457,91 2.386,92 2.844,93 3.268,94 0.361,95 1.516,96 3.045,97 1.107,98 1.515,99 1.922,100 0.028,101 0.457,102 1.609,103 0.245,104 0.046,105 0.551,106 9.71,107 4.251,108 2.171,109 6.043,110 0.101,111 1.141,112 20.658,113 9.008,114 3.335,115 12.832,116 0.131,117 1.536,118 29.29,119 12.94,120 4.572,121 18.447,122 0.169,123 1.578,124 30.77,125 12.677,126 6.725,127 18.413,128 1.234,129 25.105,130 10.2,131 14.895,132 0.089,133 0.655,134 14.297,135 5.686,136 8.379,137 0.018,138 0.156,139 3.512,140 1.494,141 0.822,142 2.169,143 0.004,144 0.032,145 0.764,146 0.318,147 0.166,148 0.465,150 47,151 0.212,152 0.368,153 0.578,154 0.656,155 0.656,156 0.656,157 2.924,158 4.62}
{0 CHEMBL450375,2 4.743,3 0.614,4 1.318,5 1.157,6 0.012,7 0.233,8 0.138,9 1.063,10 1.13,11 1.637,12 1.637,13 1.625,14 -0.53,15 0.081,16 0.614,17 4.395,18 0.471,19 -0.528,20 1.139,21 5.403,22 5.181,23 10.102,24 2.214,25 -1.562,26 1.24,27 0.887,28 1.591,29 671,30 60.7,31 1.139,33 0.97,34 0.544,35 3.777,36 2.524,37 2.66,38 0.307,39 0.531,40 0.304,41 0.393,42 0.68,43 85.312,44 90.951,45 133.2,46 84,47 108.845,48 117.241,49 176.15,50 108,51 1,52 31.9,53 0.904,54 31.9,55 4.715,56 3.273,57 45.206,58 3.417,59 3.57,60 2.749,61 2.986,62 4.14,63 2.896,64 4.122,65 4.324,66 3.362,67 3.604,68 3.501,69 4.496,70 4.727,71 3.131,72 3.741,73 3.533,74 4.685,75 5.051,76 2.177,77 3.477,78 5.168,79 3.082,80 4.096,81 4.558,82 0.839,83 2.478,84 4.477,85 1.955,86 2.455,87 2.918,88 0.081,89 1.008,90 2.565,91 0.606,104 0.04,105 0.412,106 7.569,107 3.175,108 3.53,109 4.631,110 0.068,111 0.79,112 14.746,113 6.351,114 3.501,115 9.187,116 0.12,117 1.024,118 20.435,119 8.006,120 10.935,121 11.994,122 0.124,123 0.903,124 20.33,125 7.892,126 16.427,127 11.858,128 0.383,129 9.736,130 3.285,131 5.207,132 0.01,133 0.061,134 1.605,135 0.634,136 0.946,149 10,150 25,151 0.232,152 0.451,153 0.619,154 0.678,155 0.678,156 0.678,157 2.545,158 4.77}
{0 CHEMBL456513,2 4.743,3 0.625,4 1.189,5 1.163,6 0.067,7 0.247,8 0.146,9 1.803,10 3.25,11 1.395,12 1.41,13 1.376,14 -0.32,15 0.087,16 0.625,17 4.233,18 0.468,19 -0.302,20 1.123,21 5.333,22 5.062,23 6.034,24 2,25 -1.211,26 1.124,27 1.305,28 1.267,29 982,30 61.3,31 1.123,32 0.143,33 0.969,34 0.541,35 3.569,36 2.524,37 2.66,38 0.256,39 0.549,40 0.361,41 0.43,42 0.665,43 86.333,44 88.091,45 127.52,46 84,47 96.845,48 102.505,49 153.5,50 96,51 3.568,52 34.816,53 0.94,54 34.816,55 4.746,56 4.667,57 50.277,58 3.508,59 3.66,60 2.83,61 3.061,62 4.152,63 2.968,64 4.215,65 4.432,66 3.277,67 3.629,68 3.499,69 4.597,70 4.863,71 3.148,72 3.794,73 3.566,74 4.666,75 5.027,76 2.662,77 3.52,78 5.058,79 3.207,80 4.166,81 4.535,82 2.181,83 3.02,84 4.613,85 2.72,86 3.79,87 4.167,88 1.379,89 2.59,90 4.167,91 2.212,92 3.155,93 3.589,94 0.446,95 1.758,96 3.384,97 1.31,98 1.844,99 2.277,100 0.042,101 0.626,102 1.946,103 0.348,104 0.043,105 0.452,106 8.375,107 3.463,108 3.26,109 5.084,110 0.087,111 0.833,112 15.963,113 6.655,114 4.22,115 9.726,116 0.102,117 1.061,118 21.351,119 9.075,120 5.968,121 13.19,122 0.134,123 0.927,124 20.273,125 7.521,126 7.584,127 11.506,128 0.551,129 12.135,130 4.418,131 6.799,132 0.047,133 0.351,134 7.87,135 3.15,136 4.674,137 0.02,138 0.149,139 3.591,140 1.482,141 1.473,142 2.175,143 0.005,144 0.03,145 0.777,146 0.311,147 0.284,148 0.461,149 4,150 22,151 0.223,152 0.397,153 0.64,154 0.737,155 0.773,156 0.773,157 2.608,158 4.767}
{0 CHEMBL468166,2 8.38,3 0.667,4 0.913,5 1.023,6 -0.044,7 0.22,8 0.131,9 0.853,10 0.727,11 1.16,12 1.151,13 1.177,14 -0.138,15 0.137,16 0.667,17 4.14,18 0.506,19 -0.182,20 1.316,21 5.768,22 5.193,23 7.927,24 2.259,25 -1,26 1.055,27 2.365,28 1.062,29 1186,30 58.6,31 1.316,32 0.31,33 0.983,34 0.55,35 3.892,36 2.267,37 2.386,38 0.231,39 0.572,40 0.461,41 0.503,42 0.64,43 130.068,44 121.147,45 173.04,46 116,47 133.772,48 132.442,49 200.42,50 126,51 3.896,52 38.175,53 0.941,54 38.175,55 4.865,56 4.25,57 47.45,58 3.47,59 3.608,60 2.859,61 2.97,62 4.181,63 2.91,64 4.175,65 4.37,66 3.339,67 3.491,68 3.407,69 4.567,70 4.813,71 3.254,72 3.664,73 3.507,74 4.528,75 4.854,76 2.73,77 3.427,78 5.022,79 3.168,80 4.102,81 4.458,82 1.939,83 2.93,84 4.559,85 2.613,86 3.57,87 3.964,88 0.885,89 2.307,90 3.902,91 1.879,92 2.831,93 3.305,94 0.12,95 1.283,96 2.944,97 0.81,104 0.04,105 0.418,106 7.866,107 3.116,108 2.773,109 4.483,110 0.166,111 0.742,112 15.706,113 5.704,114 8.607,115 8.308,116 0.251,117 0.938,118 22.218,119 7.43,120 13.469,121 11.09,122 0.202,123 0.79,124 19.724,125 6.556,126 11.121,127 10.145,128 0.486,129 12.404,130 4.062,131 6.408,132 0.049,133 0.252,134 6.699,135 2.489,136 3.824,137 0.03,138 0.085,139 2.825,140 0.907,141 1.639,142 1.479,149 3,150 22,151 0.266,152 0.44,153 0.661,154 0.767,155 0.767,156 0.767,157 2.609,158 4.64}
{0 CHEMBL472275,2 6.986,3 0.659,4 0.952,5 1.008,6 0.057,7 0.222,8 0.131,9 0.421,10 0.177,11 1.177,12 1.182,13 1.234,14 -0.187,15 0.122,16 0.659,17 4.455,18 0.514,19 -0.258,20 1.349,21 5.894,22 5.186,23 10.42,24 2.258,25 -1.096,26 1.035,27 1.902,28 1.263,29 1003,30 57.7,31 1.349,33 0.985,34 0.555,35 3.893,36 2.183,37 2.277,38 0.246,39 0.474,40 0.233,41 0.327,42 0.614,43 121.048,44 114.406,45 161.32,46 108,47 125.209,48 124.187,49 186.63,50 118,51 2.531,52 35.079,53 0.959,54 35.079,55 4.842,56 3.636,57 42.676,58 3.376,59 3.512,60 2.78,61 2.888,62 4.124,63 2.834,64 4.077,65 4.254,66 3.292,67 3.428,68 3.347,69 4.506,70 4.752,71 3.117,72 3.581,73 3.413,74 4.416,75 4.773,76 2.436,77 3.226,78 4.908,79 2.925,80 3.713,81 4.083,82 1.142,83 2.398,84 4.29,85 2.035,86 2.931,87 3.407,88 0.132,89 1.361,90 3.045,91 0.87,104 0.038,105 0.379,106 7.036,107 2.834,108 3.03,109 4.02,110 0.134,111 0.682,112 14.148,113 5.428,114 10.131,115 7.722,116 0.258,117 0.87,118 20.969,119 6.871,120 15.768,121 10.295,122 0.168,123 0.67,124 17.434,125 5.615,126 12.03,127 8.941,128 0.3,129 8.54,130 2.366,131 3.963,132 0.038,133 0.094,134 3.308,135 1.027,136 1.698,149 2,150 21,151 0.281,152 0.468,153 0.632,154 0.754,155 0.754,156 0.754,157 2.537,158 4.535}
{0 CHEMBL499125,1 3,2 5.924,3 0.643,4 1.215,5 1.079,6 0.003,7 0.227,8 0.141,9 1.4,10 1.96,11 1.298,12 1.426,13 1.398,14 -0.319,15 0.142,16 0.75,17 4.796,18 0.506,19 -0.328,20 1.301,21 5.858,22 5.265,23 12.25,24 2.336,25 -0.724,26 1.061,27 3.88,28 1.103,29 2337,30 57.6,31 1.301,32 -0.364,33 0.981,34 0.554,35 4.471,36 2.524,37 2.66,38 0.224,39 0.84,40 0.862,41 0.872,42 0.611,43 129.978,44 133.923,45 185.16,46 124,47 139.662,48 145.097,49 211.56,50 136,51 18.196,52 42.946,53 0.957,54 42.946,55 5.026,56 5.643,57 55.802,58 3.587,59 3.75,60 2.961,61 3.098,62 4.439,63 3.034,64 4.241,65 4.444,66 3.418,67 3.663,68 3.551,69 4.652,70 4.916,71 3.263,72 3.829,73 3.624,74 4.719,75 5.074,76 2.836,77 3.579,78 5.22,79 3.294,80 4.264,81 4.63,82 2.734,83 3.128,84 4.89,85 2.921,86 3.878,87 4.173,88 2.634,89 2.856,90 4.934,91 2.732,92 3.8,93 4.159,94 1.759,95 2.557,96 4.662,97 2.28,98 3.185,99 3.614,100 0.572,101 1.741,102 3.726,103 1.345,104 0.057,105 0.511,106 8.736,107 3.21,108 6.666,109 4.933,110 0.159,111 0.9,112 16.372,113 6.8,114 20.189,115 9.77,116 0.153,117 1.098,118 23.508,119 8.701,120 14.449,121 13.33,122 0.202,123 0.902,124 23.707,125 7.522,126 19.227,127 12.265,128 0.586,129 15.117,130 4.247,131 7.323,132 0.139,133 0.479,134 11.269,135 2.196,136 4.556,137 0.128,138 0.34,139 9.649,140 2.194,141 19.098,142 4.142,143 0.058,144 0.131,145 4.65,146 1.223,147 8.12,148 2.145,149 8,150 25,151 0.252,152 0.508,153 0.678,154 0.768,155 0.8,156 0.8,157 2.738,158 5.62}
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