@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2217

@attribute molecule_id {CHEMBL152225,CHEMBL152698,CHEMBL152843,CHEMBL153015,CHEMBL153080,CHEMBL153177,CHEMBL155396,CHEMBL155513,CHEMBL155514,CHEMBL155621,CHEMBL421992,CHEMBL440542}
@attribute ATS2s numeric
@attribute ATS3s numeric
@attribute ATS4s numeric
@attribute ATS6s numeric
@attribute ATS7s numeric
@attribute ATSC8m numeric
@attribute BIC1 numeric
@attribute C.002 numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_06_LL numeric
@attribute CIC1 numeric
@attribute Dz numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA.dm. numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute Eta_epsi numeric
@attribute Eta_sh_x numeric
@attribute GATS1p numeric
@attribute GATS1s numeric
@attribute GATS6m numeric
@attribute GATS8s numeric
@attribute GATS8v numeric
@attribute H.046 numeric
@attribute IC1 numeric
@attribute MATS1m numeric
@attribute MATS1p numeric
@attribute MATS1s numeric
@attribute MATS2v numeric
@attribute MATS4e numeric
@attribute MATS4v numeric
@attribute MATS6m numeric
@attribute MATS6s numeric
@attribute MATS7m numeric
@attribute MATS8v numeric
@attribute NssCH2 numeric
@attribute ON1V numeric
@attribute PHI numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_m_3 numeric
@attribute P_VSA_MR_1 numeric
@attribute P_VSA_MR_2 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_s_6 numeric
@attribute P_VSA_v_1 numeric
@attribute P_VSA_v_2 numeric
@attribute S2K numeric
@attribute SAacc numeric
@attribute SIC1 numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpMAD_AEA.ri. numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin2_Bh.p. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMin4_Bh.p. numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMin8_Bh.m. numeric
@attribute TIC1 numeric
@attribute SpMin1_Bh.m. numeric
@attribute SpMin2_Bh.m. numeric
@attribute SpMin5_Bh.p. numeric
@attribute Eta_sh_p numeric
@attribute GATS7p numeric
@attribute MATS7p numeric
@attribute S3K numeric
@attribute ATS1i numeric
@attribute ATS2i numeric
@attribute ATS3i numeric
@attribute ATS4i numeric
@attribute ATS5i numeric
@attribute ATS6i numeric
@attribute ATS7i numeric
@attribute Eta_alpha_A numeric
@attribute Eta_FL numeric
@attribute Eta_L_A numeric
@attribute GATS2m numeric
@attribute GATS4i numeric
@attribute GATS4p numeric
@attribute GATS8m numeric
@attribute Mp numeric
@attribute Si numeric
@attribute SpMin1_Bh.v. numeric
@attribute SpMin2_Bh.v. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SpMin7_Bh.p. numeric
@attribute SpMin7_Bh.v. numeric
@attribute SpMin8_Bh.v. numeric
@attribute X1Mad numeric
@attribute X1Per numeric
@attribute X4Av numeric
@attribute X5Av numeric
@attribute ATS1s numeric
@attribute MATS4m numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ATS1e numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4m numeric
@attribute ATS4p 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 ATS6v numeric
@attribute ATS7e 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 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 pXC50 numeric

@data
{1 4.79,2 5.147,3 5.166,4 4.677,5 4.588,6 8.051,7 0.432,8 4,9 4,10 3,11 2,12 1,13 1,14 1,15 2.769,16 25.5,19 11.09,20 0.924,21 14.878,23 1.347,24 0.584,25 0.952,26 1.595,27 0.904,28 9,29 2.138,30 0.134,31 0.019,32 -0.068,33 -0.148,34 0.206,35 0.022,36 -0.03,37 -0.065,38 -0.14,39 -0.118,40 6,41 2.111,42 7.618,43 176.567,44 176.567,45 75.525,46 153.024,47 93.567,48 185.238,49 75.525,50 176.567,51 84.5305,52 7.627,53 84.5305,54 0.436,55 14.428,56 5.461,57 1.312,58 3.882,59 3.143,60 2.741,61 1.921,62 1.779,63 1.634,64 1.377,65 1.309,66 0.766,67 0.627,68 64.148,69 2.011,70 1.767,71 1.128,72 0.248,73 1.119,74 -0.114,75 8.987,76 3.518,77 4.199,78 4.499,79 4.429,80 4.263,81 4.154,82 3.952,83 0.56,84 1.156,85 0.376,86 1.583,87 1.027,88 1.206,89 0.202,90 0.63,91 34.022,92 1.969,93 1.822,94 0.851,95 0.59,96 0.663,97 0.499,98 4.37,99 3.659,100 0.335,101 0.277,102 4.232,103 -0.093,104 1.387,105 7.167,106 3.754,107 14.093,108 49.438,109 7.908,110 3.399,111 3.489,112 3.024,113 2.848,114 3.984,115 3.4,116 3.332,117 3.082,118 4.243,119 3.556,120 3.348,121 3.092,122 4.147,123 3.141,124 3.236,125 2.956,126 3.996,127 2.887,128 3.05,129 4.905,130 2.797,131 3.863,132 2.79,133 2.91,134 2.633,135 3.671,136 2.283,137 2.678,138 2.424,139 3.426,140 3.703,141 1.787,142 2.336,143 4.421,144 2.141,145 0.05,146 0.405,147 12.606,148 4.067,149 6.785,150 4.697,151 0.077,152 0.62,153 28.312,154 6.853,155 11.32,156 4.8}
{0 CHEMBL152698,1 5.327,2 5.565,3 5.098,4 4.936,5 4.844,6 8.774,7 0.397,8 7,9 7,10 6,11 5,12 4,13 3,14 2,15 2.986,16 30,19 12.285,20 0.945,21 17.495,23 1.545,24 0.534,25 0.953,26 1.512,27 0.865,28 15,29 1.968,30 -0.028,31 -0.07,32 -0.022,33 -0.216,34 -0.029,35 0.009,36 -0.015,37 -0.088,38 -0.031,39 0.009,40 7,41 2.345,42 7.872,43 211.88,44 211.88,45 55.065,46 211.88,47 55.065,48 219.995,49 55.065,50 211.88,51 55.065,52 8.158,53 55.065,54 0.397,55 15.882,56 5.803,57 1.323,58 4.217,59 3.258,60 2.837,61 1.966,62 1.842,63 1.653,64 1.439,65 1.415,66 0.831,67 0.694,68 61.012,69 2.053,70 1.906,71 1.148,72 0.238,73 0.899,74 -0.007,75 7.892,76 3.585,77 4.302,78 4.609,79 4.543,80 4.41,81 4.257,82 4.076,83 0.454,84 1.232,85 0.381,86 0.982,87 0.808,88 0.927,89 1.119,90 0.579,91 36.041,92 1.997,93 1.859,94 0.888,95 0.668,96 0.72,97 0.565,98 5.891,99 4.084,100 0.132,101 0.089,102 4.426,103 0.004,104 1.397,105 8,106 3.754,107 14.093,108 48.548,109 6.203,110 3.44,111 2.773,112 2.887,113 2.818,114 4.068,115 3.014,116 3.2,117 3.073,118 4.314,119 2.985,120 3.245,121 3.067,122 4.227,123 2.684,124 3.13,125 2.937,126 4.098,127 2.586,128 2.984,129 5.021,130 2.805,131 3.949,132 2.477,133 2.814,134 2.653,135 3.775,136 2.355,137 2.608,138 2.473,139 3.563,140 3.856,141 2.217,142 2.348,143 4.743,144 2.255,145 0.015,146 0.502,147 7.292,148 3.37,149 12.215,150 4.371,151 0.322,152 0.789,153 14.306,154 4.977,155 69.846,156 4.35}
{0 CHEMBL152843,1 5.795,2 5.769,3 5.236,4 5.097,5 5.019,6 9.906,7 0.416,8 7,9 7,10 6,11 5,12 4,13 3,14 2,15 2.895,16 33.5,19 13.539,20 0.967,21 19.01,22 0.081,23 1.543,24 0.565,25 0.988,26 1.572,27 0.867,28 15,29 2.059,30 -0.021,31 -0.07,32 -0.038,33 -0.2,34 -0.045,35 0.011,36 -0.041,37 -0.122,38 -0.072,39 0.004,40 7,41 2.336,42 6.609,43 200.109,44 200.109,45 70.025,46 200.109,47 70.025,48 207.868,49 70.025,50 200.109,51 70.025,52 6.864,53 70.025,54 0.416,55 18.175,56 6.463,57 1.398,58 7.418,59 3.674,60 3.25,61 1.967,62 1.843,63 1.655,64 1.405,65 1.417,66 0.798,67 0.683,68 63.829,69 2.052,70 1.902,71 1.15,72 0.273,73 0.901,74 -0.009,75 7.601,76 3.594,77 4.321,78 4.617,79 4.555,80 4.424,81 4.273,82 4.096,83 0.442,84 1.389,85 0.364,86 0.753,87 0.795,88 0.925,89 1.206,90 0.577,91 36.381,92 1.996,93 1.856,94 0.889,95 0.669,96 0.714,97 0.562,98 6.122,99 4.144,100 0.121,101 0.081,102 4.508,103 -0.005,104 1.488,105 8.143,106 4.248,107 18.048,108 49.438,109 6.783,110 3.456,111 2.863,112 2.884,113 2.841,114 4.101,115 3.281,116 3.195,117 3.113,118 4.329,119 3.147,120 3.242,121 3.097,122 4.249,123 2.796,124 3.125,125 2.967,126 4.122,127 2.71,128 2.979,129 5.169,130 2.84,131 3.978,132 2.614,133 2.807,134 2.693,135 3.808,136 2.509,137 2.6,138 2.522,139 3.604,140 3.88,141 2.391,142 2.338,143 4.935,144 2.314,145 0.072,146 0.572,147 6.923,148 3.403,149 26.544,150 4.199,151 0.729,152 1.062,153 15.412,154 5.023,155 149.162,156 4.42}
{0 CHEMBL153015,1 6.071,2 6.169,3 6.349,4 5.355,5 5.294,6 11.472,7 0.442,8 6,9 6,10 5,11 4,12 3,13 2,14 1,15 2.765,16 40.5,17 -0.946,18 -1.783,19 16.119,20 1.007,21 22.038,22 0.148,23 1.541,24 0.611,25 1.084,26 1.673,27 0.877,28 13,29 2.189,30 -0.011,31 -0.069,32 -0.045,33 -0.152,34 0.425,35 0.034,36 -0.118,37 -0.2,38 -0.189,39 -0.023,40 6,41 2.22,42 5.926,43 176.567,44 176.567,45 99.945,46 153.024,47 123.488,48 186.15,49 99.945,50 176.567,51 99.945,52 6.176,53 99.945,54 0.442,55 22.192,56 6.627,57 1.479,58 7.999,59 4.205,60 3.952,61 1.969,62 1.846,63 1.656,64 1.361,65 1.419,66 0.735,67 0.621,68 67.857,69 2.042,70 1.865,71 1.156,72 0.335,73 0.906,74 -0.013,75 5.879,76 3.613,77 4.351,78 4.654,79 4.611,80 4.451,81 4.305,82 4.134,83 0.423,84 1.857,85 0.335,86 0.613,87 0.649,88 0.918,89 1.394,90 0.573,91 37.06,92 1.99,93 1.838,94 0.893,95 0.67,96 0.693,97 0.558,98 6.667,99 4.178,100 0.071,101 0.063,102 4.672,103 0.311,104 1.618,105 8.125,106 4.311,107 18.587,108 49.821,109 7.944,110 3.488,111 3.021,112 2.877,113 2.885,114 4.154,115 3.558,116 3.183,117 3.193,118 4.398,119 3.519,120 3.226,121 3.204,122 4.35,123 3.529,124 3.11,125 3.096,126 4.169,127 2.919,128 2.968,129 5.411,130 2.906,131 4.031,132 2.842,133 2.794,134 2.769,135 3.872,136 2.76,137 2.583,138 2.611,139 3.682,140 3.927,141 2.669,142 2.316,143 5.269,144 2.424,145 0.249,146 0.726,147 5.75,148 3.468,149 66.363,150 3.802,151 1.135,152 1.353,153 15.221,154 5.129,155 233.188,156 6.79}
{0 CHEMBL153080,1 5.805,2 5.783,3 5.317,4 5.1,5 5.012,6 9.271,7 0.515,8 4,9 4,10 3,11 2,12 1,15 2.379,16 34,19 12.417,20 0.887,21 19.11,22 0.082,23 1.593,24 0.582,25 1.018,26 1.686,27 0.99,28 9,29 2.528,30 -0.02,31 -0.116,32 -0.052,33 -0.18,34 0.077,35 0.028,36 -0.06,37 -0.146,38 -0.115,39 -0.073,40 6,41 2.086,42 6.558,43 176.567,44 176.567,45 70.025,46 153.024,47 93.567,48 184.326,49 70.025,50 176.567,51 88.036,52 6.831,53 88.036,54 0.515,55 18.143,56 6.401,57 1.396,58 7.418,59 3.724,60 3.251,61 1.955,62 1.834,63 1.651,64 1.393,65 1.388,66 0.779,67 0.635,68 75.848,69 2.027,70 1.827,71 1.147,72 0.278,73 0.815,74 0.056,75 7.565,76 3.586,77 4.296,78 4.549,79 4.507,80 4.313,81 4.229,82 4.044,83 0.435,84 1.818,85 0.333,86 0.766,87 0.608,88 0.827,89 1.293,90 0.571,91 35.464,92 1.979,93 1.825,94 0.869,95 0.62,96 0.667,97 0.502,98 6.048,99 3.882,100 0.098,101 0.063,102 4.535,103 0.043,104 1.664,105 8.143,106 2.769,107 7.667,108 48.565,109 7.042,110 3.441,111 2.878,112 2.81,113 2.792,114 4.07,115 3.289,116 3.1,117 3.052,118 4.267,119 3.164,120 3.137,121 3.023,122 4.194,123 2.838,124 3.022,125 2.876,126 4.013,127 2.689,128 2.889,129 5.022,130 2.762,131 3.934,132 2.621,133 2.723,134 2.64,135 3.757,136 2.504,137 2.515,138 2.473,139 3.529,140 3.786,141 2.389,142 2.295,143 4.913,144 2.294,145 0.115,146 0.549,147 6.63,148 2.945,149 29.168,150 3.772,151 0.795,152 0.981,153 14.963,154 4.175,155 150.07,156 7.65}
{0 CHEMBL153177,1 5.768,2 5.714,3 5.06,4 5.046,5 4.959,6 8.148,7 0.493,8 4,9 4,10 3,11 2,12 1,15 2.461,16 33,19 14.057,20 1.004,21 17.954,22 0.069,23 1.053,24 0.571,25 1.029,26 1.817,27 0.907,28 9,29 2.397,30 0.027,31 0.062,32 -0.039,33 -0.19,34 0.042,35 0.066,36 -0.078,37 -0.152,38 -0.219,39 -0.146,40 6,41 2.003,42 7.294,43 176.567,44 176.567,45 75.525,46 153.024,47 93.567,48 185.238,49 75.525,50 176.567,51 84.5305,52 7.301,53 84.5305,54 0.493,55 18.175,56 6.463,57 1.398,58 7.418,59 3.536,60 3.247,61 1.914,62 1.766,63 1.628,64 1.368,65 1.26,66 0.764,67 0.627,68 69.523,69 2.011,70 1.745,71 1.125,72 0.233,73 1.149,74 -0.117,75 8.07,76 3.517,77 4.22,78 4.43,79 4.387,80 4.151,81 4.144,82 3.939,83 0.518,84 1.183,85 0.378,86 1.554,87 0.946,88 1.248,89 0.301,90 0.63,91 33.831,92 1.957,93 1.747,94 0.832,95 0.553,96 0.639,97 0.483,98 5.205,99 3.742,100 0.277,101 0.204,102 4.466,103 0.135,104 1.689,105 8.143,106 3.849,107 14.818,108 45.265,109 9.49,110 3.401,111 3.35,112 2.965,113 2.856,114 4.031,115 3.671,116 3.287,117 3.117,118 4.183,119 3.747,120 3.28,121 3.083,122 4.109,123 3.887,124 3.154,125 2.95,126 3.878,127 3.022,128 2.976,129 4.786,130 2.766,131 3.876,132 2.994,133 2.847,134 2.68,135 3.687,136 2.603,137 2.597,138 2.481,139 3.448,140 3.681,141 2.387,142 2.25,143 4.891,144 2.272,145 0.102,146 0.594,147 5.571,148 3.874,149 29.068,150 4,151 0.765,152 1.128,153 29.53,154 6.895,155 151.032,156 6.24}
{0 CHEMBL155396,1 5.831,2 5.866,3 5.477,4 5.192,5 5.138,6 9.587,7 0.51,8 4,9 4,10 3,11 2,12 1,15 2.379,16 36.5,19 13.905,20 0.927,21 20.143,22 0.073,23 1.372,24 0.591,25 1.074,26 1.768,27 0.997,28 9,29 2.528,30 0.117,32 -0.043,33 -0.169,34 0.045,35 0.073,36 -0.113,37 -0.177,38 -0.269,39 -0.183,40 6,41 2.031,42 6.831,43 176.567,44 176.567,45 92.182,46 153.024,47 115.724,48 203.459,49 92.182,50 176.567,51 92.182,52 7,53 92.182,54 0.515,55 20.005,56 6.502,57 1.429,58 7.424,59 3.88,60 3.474,61 1.93,62 1.805,63 1.643,64 1.381,65 1.348,66 0.771,67 0.629,68 75.848,69 2.017,70 1.773,71 1.143,72 0.295,73 1.042,74 -0.081,75 7.552,76 3.553,77 4.26,78 4.527,79 4.473,80 4.296,81 4.21,82 4.02,83 0.457,84 1.872,85 0.334,86 1.056,87 0.877,88 1.098,89 1.071,90 0.607,91 35.095,92 1.974,93 1.815,94 0.863,95 0.615,96 0.664,97 0.498,98 5.797,99 3.869,100 0.163,101 0.104,102 4.559,103 0.187,104 1.777,105 8.067,106 2.668,107 7.119,108 54.43,109 8.144,110 3.447,111 3.188,112 2.953,113 2.881,114 4.075,115 3.491,116 3.256,117 3.151,118 4.292,119 3.461,120 3.28,121 3.149,122 4.215,123 3.412,124 3.159,125 3.03,126 4.059,127 3.172,128 2.994,129 5.744,130 2.893,131 3.951,132 2.831,133 2.843,134 2.731,135 3.777,136 2.644,137 2.614,138 2.556,139 3.561,140 3.786,141 2.418,142 2.303,143 5.037,144 2.329,145 0.147,146 0.592,147 7.263,148 3.791,149 43.464,150 3.929,151 0.819,152 1.103,153 18.378,154 6.026,155 170.174,156 6.35}
{0 CHEMBL155513,1 6.007,2 5.981,3 5.72,4 5.308,5 5.281,6 10.281,7 0.513,8 4,9 4,10 3,11 2,12 1,15 2.366,16 39,17 -0.945,18 -1.708,19 14.515,20 0.907,21 20.887,22 0.26,23 1.63,24 0.646,25 1.004,26 1.714,27 0.935,28 9,29 2.588,30 0.155,31 -0.018,32 -0.072,33 -0.164,34 0.058,35 0.072,36 -0.088,37 -0.192,38 -0.221,39 -0.185,40 6,41 2.059,42 6.201,43 176.567,44 176.567,45 75.525,46 153.024,47 93.567,48 185.238,49 75.525,50 176.567,51 84.5305,52 6.362,53 84.5305,54 0.522,55 21.901,56 6.486,57 1.46,58 7.686,59 4.187,60 3.86,61 1.947,62 1.83,63 1.652,64 1.371,65 1.414,66 0.766,67 0.628,68 80.222,69 2.011,70 1.748,71 1.152,72 0.298,73 1.088,74 -0.104,75 7.521,76 3.578,77 4.309,78 4.609,79 4.544,80 4.419,81 4.267,82 4.088,83 0.495,84 2.142,85 0.315,86 1.503,87 0.911,88 1.184,89 0.357,90 0.618,91 36.25,92 2.019,93 1.877,94 0.903,95 0.703,96 0.735,97 0.572,98 5.389,99 3.986,100 0.246,101 0.154,102 4.542,103 0.116,104 1.837,105 8,106 3.754,107 14.093,108 49.438,109 9.91,110 3.494,111 3.829,112 3.061,113 2.965,114 4.149,115 3.837,116 3.36,117 3.256,118 4.393,119 3.884,120 3.393,121 3.265,122 4.314,123 4.062,124 3.271,125 3.167,126 4.213,127 3.592,128 3.095,129 6.22,130 3.037,131 4.023,132 3.139,133 2.936,134 2.819,135 3.862,136 2.81,137 2.71,138 2.649,139 3.662,140 3.88,141 2.447,142 2.354,143 5.165,144 2.382,145 0.204,146 0.624,147 10.486,148 4.448,149 64.457,150 4.119,151 0.983,152 1.146,153 30.063,154 7.096,155 216.23,156 7.88}
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