@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1163111

@attribute molecule_id {CHEMBL1163212,CHEMBL1163759,CHEMBL1163830,CHEMBL1163908,CHEMBL1163986,CHEMBL1163987,CHEMBL1164199,CHEMBL1164200,CHEMBL1164394,CHEMBL1164395,CHEMBL1165285,CHEMBL1165286,CHEMBL1165498,CHEMBL1165763,CHEMBL1165801,CHEMBL1171983,CHEMBL1172423,CHEMBL1172607,CHEMBL1172608,CHEMBL1172767,CHEMBL1172768,CHEMBL1172888,CHEMBL1172889,CHEMBL1173175,CHEMBL1173176,CHEMBL1173222,CHEMBL1173223,CHEMBL1173224,CHEMBL1173245,CHEMBL1173246,CHEMBL1173822,CHEMBL1370,CHEMBL2146491,CHEMBL2147489,CHEMBL2147490,CHEMBL2147491,CHEMBL2147492,CHEMBL2147493,CHEMBL2147494,CHEMBL2147495,CHEMBL2147496,CHEMBL2147497,CHEMBL2147498,CHEMBL2147499,CHEMBL2147500,CHEMBL2147501,CHEMBL2316351,CHEMBL2316352,CHEMBL2316353,CHEMBL2316354,CHEMBL2316355,CHEMBL2316356,CHEMBL2316357,CHEMBL2316358,CHEMBL2316359,CHEMBL2316360,CHEMBL2316361,CHEMBL2316362,CHEMBL2316363,CHEMBL2316364,CHEMBL2316365,CHEMBL2316366,CHEMBL2316367,CHEMBL2316368,CHEMBL2316369,CHEMBL2316370,CHEMBL2316371,CHEMBL2316372,CHEMBL2316373,CHEMBL2316374,CHEMBL2316375,CHEMBL486626}
@attribute SsOH numeric
@attribute ATS6s numeric
@attribute IC5 numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.ri. numeric
@attribute SM10_AEA.bo. numeric
@attribute IC2 numeric
@attribute P_VSA_p_2 numeric
@attribute GATS1s numeric
@attribute SAtot numeric
@attribute TIC1 numeric
@attribute PDI numeric
@attribute ATSC6s numeric
@attribute ATS7v numeric
@attribute JGI1 numeric
@attribute Eig03_EA.ed. numeric
@attribute SM05_EA.ed. numeric
@attribute SM06_EA.ed. numeric
@attribute SM07_EA.ed. numeric
@attribute SM08_EA.ed. numeric
@attribute SM09_EA numeric
@attribute SM10_AEA.ed. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_EA numeric
@attribute SM12_AEA.dm. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_EA numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_EA numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_EA numeric
@attribute SM15_AEA.ed. numeric
@attribute SM15_EA numeric
@attribute GGI4 numeric
@attribute CATS2D_04_AL numeric
@attribute TIE numeric
@attribute Eig02_AEA.ed. numeric
@attribute ATSC7s numeric
@attribute GATS3v numeric
@attribute DELS numeric
@attribute ATS7s numeric
@attribute SpMax2_Bh.s. 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 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 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 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 ATSC7e 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 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 BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.007 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.011 numeric
@attribute C.013 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.018 numeric
@attribute C.019 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute pXC50 numeric

@data
{2 5.627,3 4.962,4 3.673,5 2.678,6 2.668,7 2.678,8 4.153,9 72.29,10 0.499,11 466.174,12 158.47,13 0.984,14 43.059,15 3.827,16 0.15,17 7.138,18 12.349,19 15,20 17.174,21 19.68,22 10.886,23 19.691,24 21.551,25 13.168,26 7.138,27 23.423,28 14.342,29 25.305,30 15.47,31 27.197,32 16.638,33 29.095,34 17.789,35 1.312,36 11,37 49.711,38 5.805,39 31.1,40 0.987,41 28.86,42 5.615,43 7.428,44 1.326,45 11.889,46 5.068,47 25.688,48 105.845,49 7.397,50 0.4,51 3.983,52 4.075,53 3.551,54 3.586,55 5.068,56 3.558,57 4.542,58 4.682,59 3.897,60 3.988,61 5.566,62 3.936,63 4.843,64 5.046,65 3.958,66 4.086,67 5.869,68 4.005,69 4.852,70 5.078,71 3.845,72 3.959,73 5.911,74 3.873,75 4.64,76 4.85,77 3.723,78 3.825,79 5.699,80 3.764,81 4.525,82 4.683,83 3.708,84 3.853,85 3.791,86 4.559,87 4.728,88 3.747,89 3.903,90 4.643,91 4.829,92 3.658,93 3.848,94 5.739,95 3.758,96 0.002,97 0.594,98 9.685,99 5.035,100 6.855,101 6.133,102 0.082,103 1.023,104 18.744,105 8.692,106 18.999,107 10.774,108 0.278,109 1.355,110 28.185,111 11.612,112 42.901,113 15.065,114 0.511,115 1.329,116 30.353,117 11.323,118 64.422,119 14.659,120 0.323,121 1.073,122 24.197,123 9.067,124 48.695,125 11.311,126 0.261,127 0.971,128 19.949,129 8.153,130 9.791,131 0.134,132 1.028,133 20.089,134 8.767,135 11.042,136 0.366,137 1.085,138 23.336,139 9.173,140 51.988,141 11.4,142 6,143 41,144 0.224,145 0.545,146 0.7,147 0.797,148 0.837,149 0.837,150 3.34,151 0.95,152 -4.38,153 -4.31,154 -4.07,155 46.9,157 5,158 1,161 1,167 1,170 1,171 7,172 3,173 2,174 4.523}
{0 CHEMBL1163759,2 6.074,3 5.234,4 4.034,5 3.077,6 2.94,7 3.077,8 4.249,9 80.144,10 0.612,11 559.472,12 183.875,13 0.952,14 66.204,15 4.119,16 0.132,17 8.859,18 12.869,19 15.545,20 17.757,21 20.282,22 11.272,23 20.21,24 22.096,25 13.582,26 8.859,27 23.989,28 14.76,29 25.889,30 15.903,31 27.793,32 17.074,33 29.701,34 18.234,35 2.253,36 13,37 63.57,38 6.709,39 66.548,40 0.932,41 34.828,42 6.062,43 4.995,44 1.371,45 11.419,46 4.99,47 24.899,48 117.338,49 7.195,50 0.353,51 4.174,52 4.264,53 3.714,54 3.68,55 5.249,56 3.67,57 4.743,58 4.896,59 4.045,60 4.066,61 5.726,62 4.039,63 4.963,64 5.135,65 4.241,66 4.231,67 5.989,68 4.194,69 5.067,70 5.244,71 4.268,72 4.231,73 6.203,74 4.197,75 5.076,76 5.254,77 4.164,78 4.217,79 6.166,80 4.172,81 5.012,82 5.189,83 4.084,84 4.214,85 4.141,86 5.04,87 5.25,88 4.081,89 4.204,90 4.992,91 5.19,92 3.965,93 4.123,94 6.01,95 4.039,96 0.031,97 0.743,98 12.71,99 6.202,100 8.996,101 7.48,102 0.347,103 1.213,104 25.359,105 10.111,106 28.319,107 12.428,108 0.448,109 1.507,110 31.752,111 12.695,112 33.547,113 16.247,114 0.798,115 1.596,116 36.63,117 13.339,118 72.567,119 16.982,120 0.872,121 1.58,122 37.771,123 13.1,124 75.579,125 16.25,126 0.678,127 1.542,128 34.329,129 12.971,130 16.462,131 0.706,132 1.58,133 35.953,134 13.472,135 17.866,136 0.603,137 1.481,138 34.359,139 12.496,140 64.129,141 16.12,142 26,143 47,144 0.224,145 0.508,146 0.693,147 0.773,148 0.815,149 0.854,150 3.472,151 0.939,152 -3.58,153 -3.56,154 -3.39,155 42.4,157 5,158 1,160 3,161 1,168 1,169 1,171 5,172 2,173 5,174 5.215}
{0 CHEMBL1163830,2 5.633,3 4.997,4 3.67,5 2.678,6 2.661,7 2.678,8 4.325,9 47.145,10 0.575,11 488.049,12 169.26,13 0.983,14 39.525,15 3.859,16 0.15,17 7.138,18 12.349,19 15,20 17.174,21 19.68,22 10.886,23 19.691,24 21.551,25 13.168,26 7.138,27 23.423,28 14.342,29 25.305,30 15.47,31 27.197,32 16.638,33 29.095,34 17.789,35 1.312,36 9,37 46.103,38 5.805,39 24.589,40 0.957,41 22.311,42 5.588,43 4.924,44 1.256,45 11.889,46 6.251,47 39.079,48 108.897,49 6.84,50 0.4,51 4.045,52 4.15,53 3.551,54 3.642,55 5.037,56 3.595,57 4.62,58 4.782,59 3.898,60 4.046,61 5.554,62 3.973,63 4.915,64 5.134,65 3.954,66 4.149,67 5.846,68 4.046,69 4.913,70 5.148,71 3.844,72 4.047,73 5.873,74 3.933,75 4.756,76 4.992,77 3.729,78 3.924,79 5.707,80 3.827,81 4.616,82 4.8,83 3.709,84 3.913,85 3.83,86 4.6,87 4.779,88 3.747,89 3.95,90 4.708,91 4.908,92 3.65,93 3.909,94 5.68,95 3.802,96 0.032,97 0.655,98 11.708,99 5.63,100 6.115,101 7.261,102 0.113,103 1.13,104 22.013,105 9.722,106 16.406,107 12.736,108 0.322,109 1.462,110 31.126,111 12.617,112 38.585,113 16.917,114 0.491,115 1.422,116 31.93,117 12.218,118 52.691,119 16.373,120 0.293,121 1.214,122 27.266,123 10.393,124 40.807,125 13.736,126 0.27,127 1.073,128 23.074,129 9.112,130 11.682,131 0.144,132 1.09,133 21.966,134 9.371,135 12.313,136 0.286,137 1.163,138 25.597,139 9.886,140 36.997,141 12.781,142 6,143 41,144 0.209,145 0.532,146 0.721,147 0.809,148 0.833,149 0.833,150 3.34,151 1.003,152 -5.21,153 -5.1,154 -4.77,155 45.3,156 1,157 6,158 1,161 1,167 1,170 1,171 7,172 3,173 2,174 4.523}
{0 CHEMBL1163908,2 5.669,3 4.921,4 3.766,5 2.789,6 2.725,7 2.789,8 4.194,9 103.562,10 0.476,11 473.821,12 165.754,13 0.975,14 50.149,15 3.83,16 0.161,17 7.881,18 12.423,19 15.063,20 17.227,21 19.723,22 10.971,23 19.785,24 21.641,25 13.242,26 7.881,27 23.509,28 14.409,29 25.386,30 15.531,31 27.271,32 16.693,33 29.163,34 17.84,35 1.352,36 14,37 57.961,38 5.935,39 43.961,40 0.984,41 36.261,42 5.671,43 7.428,44 1.493,45 12.036,46 5.203,47 27.074,48 106.579,49 7.744,50 0.387,51 4.001,52 4.091,53 3.603,54 3.568,55 5.141,56 3.554,57 4.555,58 4.687,59 3.96,60 3.976,61 5.747,62 3.941,63 4.854,64 5.054,65 4.011,66 4.071,67 5.934,68 4.01,69 4.867,70 5.084,71 3.905,72 3.95,73 6.004,74 3.889,75 4.653,76 4.853,77 3.761,78 3.819,79 5.77,80 3.774,81 4.532,82 4.689,83 3.742,84 3.843,85 3.794,86 4.57,87 4.734,88 3.788,89 3.894,90 4.657,91 4.837,92 3.744,93 3.831,94 5.834,95 3.76,96 0.134,97 0.641,98 9.209,99 4.883,100 9.991,101 5.819,102 0.255,103 1.063,104 18.012,105 8.544,106 50.237,107 10.37,108 0.44,109 1.374,110 28.118,111 11.193,112 53.264,113 14.451,114 0.715,115 1.317,116 30.835,117 10.881,118 81.686,119 13.923,120 0.495,121 1.064,122 24.364,123 8.855,124 66.035,125 10.842,126 0.377,127 0.991,128 19.498,129 7.979,130 9.415,131 0.298,132 1.052,133 19.675,134 8.601,135 10.633,136 0.604,137 1.097,138 23.201,139 8.867,140 66.998,141 11.027,142 11,143 43,144 0.251,145 0.568,146 0.704,147 0.801,148 0.826,149 0.826,150 3.374,151 0.925,152 -4.78,153 -4.69,154 -4.41,155 44.9,157 5,158 1,161 1,167 1,170 1,171 7,172 2,173 3,174 4.523}
{0 CHEMBL1163986,2 6.03,3 5.426,4 3.883,5 2.925,6 2.805,7 2.925,8 4.429,9 69.144,10 0.607,11 609.64,12 208.957,13 0.984,14 57.663,15 4.261,16 0.128,17 8.688,18 12.638,19 15.283,20 17.43,21 19.922,22 11.11,23 19.994,24 21.853,25 13.367,26 8.688,27 23.721,28 14.531,29 25.597,30 15.64,31 27.48,32 16.794,33 29.368,34 17.929,35 1.853,36 16,37 64.081,38 6.308,39 50.523,40 0.986,41 32.342,42 6.071,43 4.969,44 1.314,45 14.314,46 6.59,47 43.425,48 135.487,49 7.24,50 0.462,51 4.265,52 4.358,53 3.818,54 3.84,55 5.323,56 3.814,57 4.822,58 4.965,59 4.151,60 4.231,61 5.815,62 4.185,63 5.093,64 5.281,65 4.273,66 4.364,67 6.073,68 4.297,69 5.148,70 5.351,71 4.226,72 4.297,73 6.214,74 4.229,75 5.063,76 5.266,77 4.137,78 4.249,79 6.07,80 4.187,81 4.968,82 5.136,83 4.167,84 4.279,85 4.215,86 5.032,87 5.207,88 4.202,89 4.34,90 5.11,91 5.307,92 4.083,93 4.309,94 6.104,95 4.208,96 0.008,97 0.795,98 13.52,99 6.732,100 8.92,101 8.247,102 0.193,103 1.344,104 26.094,105 11.361,106 25.291,107 14.014,108 0.311,109 1.742,110 35.989,111 14.849,112 38.244,113 19.087,114 0.686,115 1.78,116 40.063,117 15.055,118 78.509,119 19.207,120 0.497,121 1.634,122 36.946,123 13.757,124 60.042,125 17.134,126 0.509,127 1.525,128 31.735,129 12.904,130 16.162,131 0.421,132 1.647,133 33.419,134 14.044,135 17.982,136 0.515,137 1.744,138 37.81,139 14.818,140 64.571,141 18.83,142 6,143 53,144 0.208,145 0.509,146 0.701,147 0.819,148 0.858,149 0.858,150 3.588,151 0.942,152 -5.13,153 -5.02,154 -4.7,155 46.2,157 5,158 1,160 1,161 2,168 1,169 1,171 11,172 3,173 4,174 4.759}
{0 CHEMBL1163987,1 9.814,2 5.81,3 5.147,4 3.86,5 2.895,6 2.794,7 2.895,8 4.412,9 100.828,10 0.703,11 498.523,12 173.652,13 0.954,14 52.637,15 3.928,16 0.145,17 8.301,18 12.554,19 15.208,20 17.369,21 19.87,22 11.029,23 19.921,24 21.787,25 13.299,26 8.301,27 23.661,28 14.463,29 25.542,30 15.583,31 27.43,32 16.74,33 29.322,34 17.881,35 1.662,36 13,37 56.019,38 6.286,39 58.869,40 0.963,41 33.027,42 5.879,43 6.47,44 1.36,45 10.714,46 4.755,47 22.613,48 106.106,49 7.317,50 0.387,51 4.052,52 4.142,53 3.603,54 3.599,55 5.146,56 3.583,57 4.607,58 4.749,59 3.951,60 4.001,61 5.629,62 3.963,63 4.895,64 5.081,65 4.089,66 4.143,67 5.945,68 4.087,69 4.945,70 5.145,71 4.028,72 4.071,73 6.08,74 4.01,75 4.834,76 5.04,77 3.884,78 3.984,79 5.886,80 3.924,81 4.701,82 4.871,83 3.88,84 3.962,85 3.905,86 4.709,87 4.874,88 3.9,89 3.997,90 4.81,91 5.008,92 3.742,93 3.947,94 5.845,95 3.854,96 0.039,97 0.649,98 10.872,99 5.437,100 9.065,101 6.496,102 0.187,103 1.088,104 20.887,105 9.156,106 21.111,107 11.246,108 0.346,109 1.409,110 29.627,111 11.952,112 40.422,113 15.319,114 0.696,115 1.419,116 32.866,117 11.959,118 74.97,119 15.326,120 0.47,121 1.272,122 29.565,123 10.701,124 58.611,125 13.496,126 0.517,127 1.145,128 24.642,129 9.624,130 12.005,131 0.386,132 1.182,133 23.984,134 10.011,135 12.696,136 0.553,137 1.246,138 28.636,139 10.511,140 62.654,141 13.272,142 11,143 43,144 0.228,145 0.559,146 0.738,147 0.828,148 0.861,149 0.861,150 3.375,151 0.94,152 -3.94,153 -3.89,154 -3.69,155 44.2,157 5,158 1,160 1,161 1,168 1,169 1,171 6,172 2,173 4,174 4.523}
{0 CHEMBL1164199,1 9.461,2 5.619,3 4.918,4 3.756,5 2.773,6 2.721,7 2.773,8 4.093,9 89.828,10 0.69,11 457.331,12 157.956,13 0.968,14 39.224,15 3.816,16 0.138,17 7.009,18 12.434,19 15.097,20 17.274,21 19.785,22 10.892,23 19.789,24 21.66,25 13.169,26 7.009,27 23.54,28 14.34,29 25.428,30 15.462,31 27.323,32 16.625,33 29.223,34 17.77,35 1.431,36 11,37 48.042,38 6.235,39 54.723,40 0.965,41 28.584,42 5.74,43 6.471,44 1.33,45 10.5,46 4.772,47 22.769,48 99.642,49 7.301,50 0.414,51 3.97,52 4.062,53 3.523,54 3.552,55 5.051,56 3.527,57 4.521,58 4.661,59 3.874,60 3.962,61 5.545,62 3.911,63 4.845,64 5.046,65 3.974,66 4.088,67 5.843,68 4.015,69 4.86,70 5.075,71 3.902,72 3.976,73 5.971,74 3.901,75 4.688,76 4.898,77 3.76,78 3.862,79 5.735,80 3.8,81 4.547,82 4.712,83 3.716,84 3.847,85 3.788,86 4.578,87 4.741,88 3.752,89 3.897,90 4.668,91 4.875,92 3.557,93 3.85,94 5.643,95 3.733,96 0.021,97 0.591,98 9.933,99 4.989,100 7.862,101 6.045,102 0.082,103 1.01,104 18.657,105 8.573,106 16.89,107 10.683,108 0.191,109 1.353,110 28.327,111 11.557,112 33.835,113 14.929,114 0.611,115 1.321,116 30.486,117 11.208,118 70.501,119 14.497,120 0.327,121 1.119,122 25.398,123 9.452,124 47.834,125 11.926,126 0.268,127 0.99,128 20.806,129 8.312,130 10.117,131 0.34,132 1.042,133 20.883,134 8.86,135 11.252,136 0.289,137 1.117,138 24.326,139 9.527,140 43.668,141 12.185,142 5,143 40,144 0.226,145 0.559,146 0.696,147 0.795,148 0.836,149 0.836,150 3.305,151 0.951,152 -4.24,153 -4.18,154 -3.95,155 45.8,157 5,158 1,161 1,168 1,169 1,171 7,172 2,173 3,174 5.237}
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