"molecule_id","AAC","AMR","ATS1v","ATS2e","ATS2s","ATS2v","ATS3e","ATS3i","ATS3s","ATS3v","ATS4e","ATS4i","ATS4v","ATS5p","ATS5v","ATS6m","ATS6p","ATS6v","ATS7m","ATS7p","ATS7v","ATS8e","ATS8i","ATS8p","ATS8s","ATSC1i","ATSC1v","ATSC2i","ATSC3i","ATSC4i","ATSC5i","ATSC6i","ATSC7i","ATSC7v","ATSC8i","ATSC8p","ATSC8v","BAC","BBI","BIC0","BID","CATS2D_05_LL","Chi0_AEA.bo.","Chi0_AEA.dm.","Chi0_AEA.ed.","Chi0_AEA.ri.","Chi0_EA","Chi0_EA.bo.","Chi0_EA.ed.","Chi0_EA.ri.","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.bo.","Chi1_EA.ri.","CIC3","CID","Eig07_AEA.bo.","Eig07_EA.ri.","Eig11_AEA.ed.","Eig11_AEA.ri.","Eig11_EA","Eig11_EA.bo.","Eig11_EA.ed.","Eig11_EA.ri.","Eig12_AEA.bo.","Eig12_AEA.ed.","Eig12_AEA.ri.","Eig12_EA","Eig12_EA.bo.","Eig12_EA.ed.","Eig12_EA.ri.","Eig13_AEA.ed.","Eig14_AEA.ed.","Eta_alpha","Eta_sh_x","GATS1i","GATS2i","GATS2p","GATS3m","GATS6e","GATS6i","GATS7i","GNar","HDcpx","Hy","IC0","IDDM","IDM","IVDM","MATS1p","MATS1v","MATS2m","MATS2p","MATS3m","MATS6e","MATS6i","MATS6p","MATS6v","MATS8e","MCD","MPC01","MPC02","MPC03","MPC04","MPC05","MPC06","MPC08","MPC09","MPC10","MWC01","MWC02","MWC03","MWC04","MWC05","MWC06","MWC07","MWC09","nBO","nC","NsCH3","PDI","piID","piPC01","piPC03","piPC04","piPC05","piPC06","piPC07","piPC08","piPC09","piPC10","Pol","Psi_e_0","Psi_e_1","Psi_i_0","Psi_i_1","P_VSA_LogP_1","RDSQ","SCBO","SIC0","SIC3","SM02_AEA.bo.","SM02_AEA.ed.","SM02_EA","SM02_EA.ed.","SM02_EA.ri.","SM03_AEA.ed.","SM04_AEA.ed.","SM04_EA","SM04_EA.ri.","SM05_AEA.dm.","SM06_AEA.dm.","SM06_AEA.ri.","SM06_EA","SM07_AEA.ri.","SM08_AEA.bo.","SNar","Sp","SpAD_AEA.bo.","pXC50"
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{0 CHEMBL2349392,1 1.455,2 104.911,3 3.496,4 4.545,5 5.542,6 3.88,7 4.793,8 4.975,9 5.806,10 4.095,11 5.024,12 5.259,13 4.149,14 4.199,15 4.125,16 3.919,17 4.174,18 4.058,19 3.703,20 4.114,21 3.956,22 4.883,23 5.163,24 3.984,25 5.774,26 0.726,27 6.495,28 1.168,29 1.496,30 1.759,31 1.698,32 1.605,33 1.565,34 17.501,35 1.368,36 12.058,37 17.485,38 51,39 41,40 0.245,41 3.306,42 5,43 17.411,44 17.411,45 17.411,46 17.411,47 17.411,48 15.969,49 10.232,50 17.789,51 13.688,52 13.688,53 13.688,54 13.688,55 13.688,56 11.189,57 14.215,58 0.79,59 3.982,60 2.832,61 1.435,62 3.097,63 1.346,64 0.435,65 0.522,66 0.704,67 0.395,68 1.678,69 2.865,70 1.13,71 0.145,72 0.201,73 0.298,74 0.141,75 2.787,76 2.567,77 12.367,78 0.04,79 1.399,80 0.859,81 0.815,82 0.947,83 1.104,84 1.197,85 0.91,86 1.983,87 1.7,88 -0.37,89 1.455,90 4.663,91 8.14,92 4.592,93 -0.079,94 -0.015,95 0.176,96 0.204,97 0.001,98 -0.075,99 -0.162,100 -0.225,101 -0.238,102 0.237,103 0.538,104 3.367,105 3.738,106 4.06,107 4.419,108 4.727,109 4.942,110 5.231,111 5.308,112 5.215,113 3.367,114 4.934,115 5.814,116 6.744,117 7.656,118 8.6,119 9.524,120 11.405,121 28,122 21,123 3,124 0.945,125 9.592,126 3.611,127 4.721,128 5.315,129 5.893,130 6.268,131 6.631,132 7.018,133 7.276,134 7.319,135 48,136 9.627,137 4.051,138 18.407,139 15.041,140 28.533,141 231.774,142 36,143 0.256,144 0.861,145 4.894,146 5.861,147 4.419,148 6.801,149 4.357,150 7.505,151 9.264,152 6.172,153 6.068,154 0.435,155 0.145,156 0.704,157 8.275,158 0.298,159 13.175,160 17.8,161 33.302,162 43.093,163 5.161}
{0 CHEMBL2349398,1 1.419,2 109.663,3 3.556,4 4.657,5 5.612,6 3.945,7 4.929,8 5.13,9 5.893,10 4.149,11 5.087,12 5.328,13 4.208,14 4.294,15 4.21,16 3.958,17 4.285,18 4.143,19 3.722,20 4.201,21 4.025,22 4.992,23 5.28,24 4.099,25 5.784,26 0.795,27 7.531,28 1.28,29 1.623,30 1.84,31 1.823,32 1.781,33 1.695,34 19.68,35 1.513,36 13.326,37 19.544,38 68,39 43,40 0.236,41 3.341,42 9,43 17.695,44 17.695,45 17.695,46 17.695,47 17.695,48 16.383,49 10.358,50 18.088,51 14.261,52 14.261,53 14.261,54 14.261,55 14.261,56 12.015,57 14.863,58 0.853,59 4.015,60 2.964,61 1.7,62 3.127,63 1.3,64 0.33,65 0.42,66 0.661,67 0.318,68 1.417,69 3.05,70 1.05,71 0.039,72 0.051,73 0.092,74 0.038,75 2.838,76 2.65,77 12.867,78 0.039,79 1.443,80 0.943,81 0.904,82 1.015,83 0.955,84 1.233,85 0.935,86 1.963,87 1.708,88 -0.382,89 1.419,90 4.717,91 8.235,92 4.637,93 -0.075,94 -0.014,95 0.229,96 0.143,97 0.002,98 -0.018,99 -0.208,100 -0.233,101 -0.223,102 0.28,103 0.519,104 3.401,105 3.784,106 4.078,107 4.454,108 4.745,109 4.963,110 5.298,111 5.333,112 5.384,113 3.401,114 4.977,115 5.849,116 6.783,117 7.688,118 8.634,119 9.553,120 11.43,121 29,122 22,123 5,124 0.936,125 9.627,126 3.611,127 4.721,128 5.335,129 5.901,130 6.287,131 6.655,132 7.067,133 7.289,134 7.452,135 49,136 10.04,137 4.223,138 19.403,139 15.942,140 44.126,141 243.342,142 36,143 0.244,144 0.853,145 4.909,146 5.905,147 4.466,148 6.841,149 4.397,150 7.546,151 9.299,152 6.213,153 6.096,154 0.33,155 0.039,156 0.661,157 8.304,158 0.092,159 13.19,160 18.205,161 35.824,162 44.911,163 5.387}
{0 CHEMBL2349411,1 1.523,2 104.822,3 3.485,4 4.522,5 5.472,6 3.869,7 4.744,8 4.915,9 5.714,10 4.074,11 4.962,12 5.193,13 4.113,14 4.193,15 4.075,16 3.979,17 4.171,18 4.001,19 3.689,20 4.062,21 3.859,22 4.706,23 4.96,24 3.86,25 5.556,26 0.682,27 6.481,28 1.15,29 1.435,30 1.717,31 1.638,32 1.498,33 1.498,34 16.899,35 1.19,36 10.729,37 14.659,38 36,39 39,40 0.26,41 3.269,42 12,43 16.8,44 16.8,45 16.8,46 16.8,47 16.8,48 15.461,49 10.093,50 17.352,51 13.278,52 13.278,53 13.278,54 13.278,55 13.278,56 11.077,57 14.081,58 0.699,59 3.946,60 2.795,61 1.408,62 3.014,63 1.223,64 0.264,65 0.346,66 0.493,67 0.248,68 1.271,69 2.832,70 0.973,75 2.786,76 2.387,77 12.3,78 0.041,79 1.285,80 0.955,81 0.906,82 0.986,83 1.084,84 1.247,85 0.996,86 2.005,87 1.69,88 -0.79,89 1.523,90 4.607,91 8.028,92 4.546,93 -0.022,94 -0.004,95 0.107,96 0.139,97 0.011,98 -0.114,99 -0.217,100 -0.209,101 -0.273,102 0.005,103 0.56,104 3.332,105 3.689,106 4.007,107 4.369,108 4.663,109 4.844,110 5.088,111 5.142,112 5.05,113 3.332,114 4.89,115 5.765,116 6.691,117 7.599,118 8.541,119 9.463,120 11.34,121 27,122 20,123 3,124 0.942,125 9.401,126 3.555,127 4.652,128 5.246,129 5.806,130 6.131,131 6.481,132 6.82,133 7.067,134 7.104,135 45,136 9.289,137 3.905,138 17.978,139 14.818,140 28.533,141 217.833,142 34,143 0.271,144 0.875,145 4.832,146 5.802,147 4.369,148 6.739,149 4.286,150 7.441,151 9.201,152 6.111,153 5.989,154 0.264,156 0.493,157 8.223,159 13.105,160 17.394,161 32.944,162 41.162,163 5.495}
{0 CHEMBL2349509,1 1.43,2 118.392,3 3.616,4 4.558,5 5.537,6 4.008,7 4.832,8 5.005,9 5.799,10 4.193,11 5.031,12 5.261,13 4.196,14 4.264,15 4.146,16 4.074,17 4.261,18 4.102,19 3.871,20 4.217,21 4.036,22 4.828,23 5.07,24 4.105,25 5.752,26 0.685,27 6.678,28 1.206,29 1.529,30 1.903,31 1.724,32 1.623,33 1.642,34 18.093,35 1.418,36 12.253,37 16.705,38 19,39 45,40 0.237,41 3.376,42 13,43 18.946,44 18.946,45 18.946,46 18.946,47 18.946,48 16.856,49 11.225,50 19.264,51 15.295,52 15.295,53 15.295,54 15.295,55 15.295,56 12.051,57 15.832,58 0.935,59 4.071,60 2.922,61 1.478,62 3.507,63 2,64 1,65 1.5,66 2.136,67 1,68 1.965,69 3.247,70 1.573,71 0.71,72 0.823,73 1.543,74 0.595,75 3.091,76 2.954,77 13.967,78 0.036,79 1.113,80 1.022,81 0.989,82 0.898,83 1.556,84 1.13,85 1.052,86 2.085,87 1.718,88 -0.848,89 1.43,90 4.776,91 8.35,92 4.728,93 0.021,94 0.025,95 0.089,96 0.013,97 0.034,98 -0.21,99 -0.088,100 -0.117,101 -0.174,102 -0.078,103 0.714,104 3.466,105 3.829,106 4.143,107 4.489,108 4.779,109 4.927,110 5.226,111 5.352,112 5.333,113 3.466,114 5.03,115 5.905,116 6.823,117 7.724,118 8.655,119 9.569,120 11.428,121 31,122 24,123 2,124 0.984,125 10.623,126 3.738,127 4.871,128 5.449,129 6.002,130 6.236,131 6.596,132 6.968,133 7.299,134 7.45,135 50,136 10.399,137 4.462,138 20.23,139 17.065,140 17.65,141 259.361,142 41,143 0.251,144 0.836,145 5.004,146 5.932,147 4.511,148 6.845,149 4.452,150 7.554,151 9.295,152 6.229,153 6.128,154 1,155 0.71,156 2.136,157 8.304,158 1.543,159 13.215,160 20.572,161 36.489,162 47.873,163 4.967}
{0 CHEMBL2349510,1 1.474,2 98.527,3 3.423,4 4.425,5 5.369,6 3.816,7 4.682,8 4.862,9 5.645,10 4.02,11 4.878,12 5.102,13 4.056,14 4.133,15 4.021,16 3.853,17 4.13,18 3.932,19 3.427,20 3.977,21 3.721,22 4.544,23 4.829,24 3.676,25 5.296,26 0.626,27 6.045,28 1.081,29 1.357,30 1.603,31 1.534,32 1.426,33 1.384,34 16.758,35 1.033,36 9.516,37 13.256,38 34,39 37,40 0.256,41 3.191,42 12,43 15.386,44 15.386,45 15.386,46 15.386,47 15.386,48 14.047,49 9.068,50 15.867,51 12.278,52 12.278,53 12.278,54 12.278,55 12.278,56 10.077,57 12.929,58 0.717,59 3.865,60 2.79,61 1.345,62 2.949,63 0.979,68 1.155,69 2.822,70 0.951,71 -0.057,72 -0.072,73 -0.146,74 -0.058,75 2.409,76 2.283,77 11.467,78 0.044,79 1.218,80 1.014,81 0.964,82 1.001,83 1.271,84 1.173,85 1.032,86 2.006,87 1.669,88 -0.815,89 1.474,90 4.492,91 7.8,92 4.418,93 0.01,94 0.013,95 0.154,96 0.071,97 0.001,98 -0.176,99 -0.182,100 -0.204,101 -0.297,102 -0.014,103 0.609,104 3.258,105 3.638,106 3.97,107 4.344,108 4.635,109 4.804,110 5.011,111 5.017,112 4.905,113 3.258,114 4.828,115 5.714,116 6.65,117 7.566,118 8.513,119 9.44,120 11.321,121 25,122 19,123 3,124 0.955,125 9.264,126 3.497,127 4.632,128 5.236,129 5.794,130 6.116,131 6.459,132 6.788,133 7.013,134 7.041,135 43,136 8.553,137 3.636,138 16.627,139 13.914,140 26.476,141 198.202,142 32,143 0.268,144 0.869,145 4.783,146 5.765,147 4.317,148 6.72,149 4.245,150 7.418,151 9.187,152 6.084,153 5.973,155 -0.057,157 8.213,158 -0.146,159 13.101,160 16.008,161 30.728,162 38.663,163 5.699}
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