"molecule_id","CATS2D_05_PL","Chi0_EA.dm.","Eta_betaS_A","GATS1e","GATS1m","MATS4s","X2Av","X3Av","ALOGP","ALOGP2","GATS3i","GATS3p","GATS3v","MATS3p","ATSC5e","Eta_beta_A","SpMax2_Bh.s.","Eta_epsi_A","MATS3v","AAC","AMW","ATS3s","ATSC5s","Eig03_AEA.dm.","Eig10_AEA.dm.","Eta_C_A","Eta_F","GATS1s","GMTIV","H.","IC0","MATS7s","Me","Mv","SpMax3_Bh.s.","SpMax7_Bh.e.","SpMax7_Bh.i.","SpMaxA_EA.ri.","SpMin8_Bh.m.","SpMin8_Bh.p.","SpMin8_Bh.v.","X0Av","ZM1Kup","ZM1MulPer","ZM1Per","ZM1V","ZM2Kup","ZM2MulPer","ZM2Per","ZM2V","ATSC6s","IAC","PDI","TIC0","ATS2s","AECC","AMR","ATS1e","ATS1i","ATS1m","ATS1p","ATS1s","ATS1v","ATS2e","ATS2i","ATS2m","ATS2p","ATS2v","ATS3e","ATS3i","ATS3m","ATS3p","ATS3v","ATS4e","ATS4i","ATS4m","ATS4p","ATS4s","ATS4v","ATS5e","ATS5i","ATS5m","ATS5p","ATS5s","ATS5v","ATS6e","ATS6i","ATS6m","ATS6p","ATS6s","ATS6v","ATS7e","ATS7i","ATS7m","ATS7p","ATS7s","ATS7v","ATS8e","ATS8i","ATS8m","ATS8p","ATS8s","ATS8v","ATSC1e","ATSC1i","ATSC1m","ATSC1p","ATSC1s","ATSC1v","ATSC2e","ATSC2i","ATSC2m","ATSC2p","ATSC2s","ATSC2v","ATSC3e","ATSC3i","ATSC3m","ATSC3p","ATSC3s","ATSC3v","ATSC4e","ATSC4i","ATSC4m","ATSC4p","ATSC4s","ATSC4v","ATSC5i","ATSC5m","ATSC5p","ATSC5v","ATSC6e","ATSC6i","ATSC6m","ATSC6p","ATSC6v","ATSC7e","ATSC7i","ATSC7m","ATSC7p","ATSC7s","ATSC7v","ATSC8e","ATSC8i","ATSC8m","ATSC8p","ATSC8s","ATSC8v","BAC","BBI","BIC0","BIC1","BIC2","BIC3","BIC4","BIC5","BID","pXC50"
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{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}
{0 CHEMBL506460,1 1,2 1.581,3 0.614,4 1.318,5 1.157,6 -0.014,7 0.243,8 0.147,9 1.371,10 1.879,11 1.381,12 1.402,13 1.366,14 -0.325,15 0.081,16 0.614,17 4.416,18 0.471,19 -0.305,20 1.139,21 5.403,22 5.035,23 8.177,24 2,25 -1.692,26 1.113,27 0.892,28 1.397,29 791,30 60.7,31 1.139,32 0.208,33 0.97,34 0.544,35 3.569,36 2.206,37 2.386,38 0.276,39 0.543,40 0.315,41 0.404,42 0.641,43 77.312,44 80.039,45 116.76,46 76,47 90.423,48 94.818,49 143.59,50 90,51 2.617,52 31.9,53 0.957,54 31.9,55 4.673,56 3.818,57 45.502,58 3.417,59 3.57,60 2.749,61 2.986,62 4.099,63 2.896,64 4.121,65 4.324,66 3.226,67 3.575,68 3.445,69 4.539,70 4.805,71 3.088,72 3.732,73 3.504,74 4.584,75 4.947,76 2.424,77 3.399,78 5.07,79 3.058,80 4.016,81 4.436,82 1.398,83 2.597,84 4.481,85 2.185,86 2.958,87 3.397,88 0.39,89 1.516,90 3.332,91 1.111,92 1.515,93 1.922,94 0.028,95 0.457,96 1.609,97 0.245,104 0.04,105 0.412,106 7.569,107 3.175,108 3.038,109 4.631,110 0.068,111 0.771,112 14.548,113 6.369,114 3.519,115 9.149,116 0.097,117 1,118 20.167,119 8.533,120 6.16,121 12.425,122 0.129,123 0.843,124 18.801,125 6.809,126 10.619,127 10.519,128 0.406,129 9.733,130 3.214,131 5.146,132 0.026,133 0.122,134 3.067,135 1.031,136 1.637,137 0.003,138 0.02,139 0.535,140 0.211,141 0.268,142 0.315,149 3,150 21,151 0.232,152 0.42,153 0.61,154 0.721,155 0.761,156 0.761,157 2.539,158 5.149}
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{0 CHEMBL660,2 4.743,3 0.614,4 1.318,5 1.157,6 0.091,7 0.251,8 0.151,9 1.495,10 2.236,11 1.346,12 1.367,13 1.369,14 -0.326,15 0.067,16 0.614,17 4.309,18 0.471,19 -0.334,20 1.139,21 5.403,22 5.167,23 6.991,24 2,25 -1.28,26 1.131,27 0.846,28 1.464,29 783,30 60.7,31 1.139,33 0.97,34 0.544,35 3.569,36 2.524,37 2.66,38 0.257,39 0.474,40 0.233,41 0.327,42 0.641,43 77.312,44 81.311,45 116.6,46 76,47 90.845,48 95.915,49 141.67,50 90,51 1.609,52 31.9,53 0.955,54 31.9,55 4.708,56 3.636,57 45.534,58 3.417,59 3.57,60 2.749,61 2.986,62 4.088,63 2.896,64 4.122,65 4.322,66 3.238,67 3.561,68 3.433,69 4.588,70 4.856,71 3.114,72 3.759,73 3.536,74 4.638,75 5.021,76 2.444,77 3.42,78 5.035,79 3.069,80 3.824,81 4.206,82 1.185,83 2.546,84 4.331,85 2.152,86 3.104,87 3.583,88 0.157,89 1.499,90 3.219,91 0.98,104 0.04,105 0.412,106 7.569,107 3.175,108 2.419,109 4.631,110 0.068,111 0.773,112 14.61,113 6.249,114 4.095,115 9.064,116 0.128,117 1.055,118 21.472,119 8.448,120 9.738,121 12.628,122 0.12,123 0.85,124 19.153,125 7.303,126 9.547,127 11.052,128 0.362,129 8.405,130 2.9,131 4.555,132 0.02,133 0.122,134 3.211,135 1.269,136 1.892,149 2,150 21,151 0.232,152 0.391,153 0.514,154 0.601,155 0.601,156 0.601,157 2.537,158 4.796}