"molecule_id","JGI5","DLS_cons","GGI5","MATS5s","ATS7s","Eig06_AEA.dm.","Eig06_AEA.ed.","Eig06_EA.ed.","Eig07_AEA.dm.","Eig08_AEA.dm.","GGI1","GGI3","SM15_AEA.dm.","SpMax1_Bh.e.","SpMax1_Bh.v.","X0Av","X3Av","ZM1Per","ZM2Kup","ZM2MulPer","ZM2Per","ZM2V","Eta_B","GATS1v","SpMax5_Bh.s.","Eig03_AEA.ri.","Eig03_EA.ri.","Eig04_AEA.ri.","Eig04_EA.ri.","Eig05_AEA.ri.","Eig06_AEA.ri.","Eig08_EA.ri.","Eig15_AEA.ri.","MATS8v","SpMax2_Bh.i.","SpMax2_Bh.p.","SpMax2_Bh.v.","SpMax3_Bh.e.","SpMax3_Bh.i.","SpMax3_Bh.m.","SpMax3_Bh.p.","SpMax3_Bh.v.","SpMax4_Bh.e.","SpMax4_Bh.i.","SpMax4_Bh.m.","SpMax4_Bh.v.","SpMin2_Bh.e.","SpMin2_Bh.i.","SpMin3_Bh.i.","GATS8m","ATS3s","CENT","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.ed.","CSI","D.Dtr09","ECC","Eig03_EA","Eig04_AEA.bo.","Eig04_EA","Eig04_EA.bo.","Eig04_EA.ed.","Eig05_EA","Eig06_EA","Eig07_AEA.ed.","Eig07_EA.bo.","Eig07_EA.ed.","Eig08_AEA.bo.","Eig08_AEA.ed.","Eig08_AEA.ri.","Eig08_EA","Eig08_EA.bo.","Eig08_EA.ed.","Eig09_AEA.bo.","Eig09_EA","Eig09_EA.ed.","Eig12_AEA.bo.","Eig12_AEA.dm.","Eig12_AEA.ed.","Eig12_EA","Eig13_AEA.bo.","Eig13_AEA.ed.","Eig14_AEA.bo.","Eig14_AEA.dm.","Eig14_AEA.ed.","Eig14_EA","Eig14_EA.bo.","Eig15_AEA.dm.","Eig15_EA","Eig15_EA.bo.","Eig15_EA.ed.","GGI9","GMTI","IDET","IDMT","LPRS","MATS3s","MATS4i","MDDD","MPC10","RDCHI","SM02_AEA.dm.","SM02_AEA.ri.","SM03_AEA.dm.","SM03_AEA.ri.","SM04_AEA.ri.","SM06_AEA.dm.","SM08_AEA.dm.","SM09_AEA.dm.","SM10_AEA.ri.","SM11_AEA.bo.","SM12_AEA.bo.","SM13_AEA.bo.","SM13_AEA.dm.","SM14_AEA.bo.","SM14_AEA.ri.","SMTI","SpMax1_Bh.m.","SpMax8_Bh.p.","SpMaxA_AEA.bo.","SpMaxA_AEA.ed.","SpMaxA_EA","SpMaxA_EA.bo.","SpMaxA_EA.ri.","SpMin8_Bh.e.","UNIP","Wap","X2","X2sol","Xu","AMR","Mv","SpAD_AEA.dm.","SpMaxA_AEA.dm.","AMW","ATS1s","Chi1_EA.ri.","Eig09_AEA.dm.","Eig13_EA.ri.","Eig14_EA.ri.","Eig15_EA.ri.","GATS1i","GATS6i","GMTIV","H.","MATS3m","SMTIV","SpMax3_Bh.s.","SpMax8_Bh.s.","SpMaxA_AEA.ri.","ZM1MulPer","GATS3m","SpMax2_Bh.e.","MSD","SpMaxA_EA.ed.","SpMax8_Bh.v.","SpMin8_Bh.i.","AAC","AECC","ALOGP","ALOGP2","ARR","ATS1e","ATS1i","ATS1m","ATS1p","ATS1v","ATS2e","ATS2i","ATS2m","ATS2p","ATS2s","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","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","pXC50"
{1 0.023,2 0.93,3 0.632,4 -0.268,5 5.422,6 1.729,7 4.158,8 3.837,9 1.202,10 1.077,11 4,12 1.313,13 3.837,14 3.966,15 3.868,16 0.585,17 0.098,18 394.74,19 305.085,20 308.331,21 450.35,22 291,23 0.452,24 1.055,25 4.124,26 3.345,27 2.229,28 2.926,29 1.859,30 2.692,31 2.628,32 1,34 -0.029,35 3.926,36 3.708,37 3.72,38 3.702,39 3.773,40 3.596,41 3.49,42 3.52,43 3.417,44 3.497,45 3.271,46 3.24,47 1.833,48 1.768,49 1.551,50 1.059,51 5.514,52 644,53 11.899,54 11.899,55 11.899,56 11.899,57 11.899,58 4.423,59 438,61 204,62 2.425,63 3.327,64 2,65 2.577,66 5.473,67 1.736,68 1.657,69 3.493,70 1.5,71 2.622,72 2.344,73 3.44,74 2,75 1,76 1.308,77 2.431,78 2.198,79 1,80 2.136,81 0.927,82 -0.245,83 2.553,84 -0.392,85 0.677,86 2.217,87 0.5,88 -0.645,89 1.872,90 -0.753,91 -0.964,92 -0.784,93 -1,94 -1,95 -2.347,96 0.04,97 5046,98 769.219,99 8486.23,100 101.184,101 -0.017,102 0.025,103 16.612,104 4.174,105 3.494,106 1,107 2.622,108 1,109 2.431,110 2.136,111 -0.392,112 -0.753,113 -1,114 -2.347,115 2.425,116 2,117 1.736,118 5.473,119 1.657,120 2.577,121 4874,122 3.907,123 2.619,124 0.178,125 0.259,126 0.123,127 0.161,128 0.115,129 0.858,130 72,131 6430,132 9.448,133 9.448,134 21.73,135 92.854,136 0.599,137 35.212,138 0.133,139 6.783,140 4.897,141 12.574,142 1.071,143 -0.554,144 -0.751,145 -0.939,146 1.576,147 1.216,148 10824,149 50,150 0.024,151 7277,152 4.709,153 3.652,154 0.162,155 280.424,156 0.954,157 3.874,158 5.525,159 0.389,160 2.654,161 0.741,162 1.423,163 9.273,164 3.611,165 13.041,166 0.5,167 3.873,168 4.027,169 3.364,170 3.348,171 3.321,172 4.421,173 4.638,174 3.699,175 3.734,176 5.424,177 3.665,178 4.683,179 4.947,180 3.684,181 3.851,182 3.748,183 4.68,184 4.959,185 3.631,186 3.779,187 5.59,188 3.666,189 4.606,190 4.884,191 3.568,192 3.707,193 5.522,194 3.62,195 4.52,196 4.78,197 3.513,198 3.647,199 5.501,200 3.564,201 4.506,202 4.793,203 3.35,204 3.582,205 3.471,206 4.418,207 4.71,208 3.141,209 3.528,210 5.219,211 3.369,212 0.048,213 0.704,214 10.259,215 3.407,216 8.532,217 5.416,218 0.337,219 1.077,220 18.753,221 6.38,222 27.44,223 9.532,224 0.21,225 1.237,226 24.85,227 7.167,228 22.348,229 12.019,230 0.38,231 1.192,232 4}
{0 CHEMBL124519,1 0.02,2 0.9,3 0.486,4 -0.289,5 5.225,6 1.444,7 3.587,8 3.021,9 1.184,10 1.077,11 3.5,12 1.063,13 3.021,14 3.956,15 3.837,16 0.564,17 0.092,18 379.78,19 294.366,20 296.849,21 433.12,22 280,23 0.362,24 1.001,25 4.003,26 3.276,27 2.18,28 2.82,29 1.745,30 2.684,31 2.378,32 0.995,33 -0.049,34 -0.069,35 3.9,36 3.702,37 3.709,38 3.681,39 3.752,40 3.583,41 3.464,42 3.499,43 3.111,44 3.206,45 2.995,46 2.91,47 1.828,48 1.765,49 1.522,50 1.116,51 5.384,52 474,53 10.938,54 10.938,55 10.938,56 10.938,57 10.938,58 4.149,59 368,61 170,62 2.342,63 3.268,64 1.902,65 2.53,66 5.203,67 1.724,68 1.399,69 3.489,70 1.5,71 2.605,72 2.202,73 3.247,74 2,75 1,76 1.179,77 2.136,78 2,79 1,80 2.136,81 0.783,82 -0.424,83 2.24,84 -0.537,85 0.5,86 1.851,87 0.413,88 -0.784,89 1.555,90 -1,91 -1,92 -1,93 -1,94 -1.365,95 -2.347,96 0.023,97 3904,98 608.21,99 6218.64,100 88.403,101 -0.006,102 0.072,103 14.13,104 4.111,105 3.346,106 1,107 2.605,108 1,109 2.136,110 2.136,111 -0.537,112 -1,113 -1,114 -2.347,115 2.342,116 1.902,117 1.724,118 5.203,119 1.399,120 2.53,121 3756,122 3.906,123 2.508,124 0.194,125 0.282,126 0.134,127 0.176,128 0.122,129 0.717,130 61,131 5390,132 8.576,133 8.576,134 19.924,135 82.116,136 0.613,137 31.972,138 0.143,139 7.115,140 4.808,141 11.614,142 1,143 -0.757,144 -0.946,145 -1,146 1.58,147 1.268,148 8810,149 47.4,150 0.035,151 5784,152 4.68,153 3.577,154 0.175,155 270.041,156 0.94,157 3.85,158 5.092,159 0.424,160 2.526,161 0.614,162 1.462,163 8.5,164 3.392,165 11.503,166 0.545,167 3.745,168 3.897,169 3.279,170 3.216,171 3.205,172 4.272,173 4.482,174 3.607,175 3.591,176 5.332,177 3.536,178 4.52,179 4.785,180 3.556,181 3.668,182 3.58,183 4.461,184 4.745,185 3.474,186 3.535,187 5.402,188 3.444,189 4.308,190 4.573,191 3.429,192 3.444,193 5.302,194 3.402,195 4.242,196 4.477,197 3.37,198 3.432,199 5.297,200 3.379,201 4.286,202 4.563,203 3.153,204 3.384,205 3.275,206 4.164,207 4.455,208 2.827,209 3.28,210 4.963,211 3.107,212 0.034,213 0.626,214 8.452,215 2.767,216 7.112,217 4.354,218 0.298,219 0.946,220 15.492,221 5.297,222 24.584,223 7.807,224 0.182,225 1.052,226 21.006,227 5.765,228 20.025,229 9.741,230 0.343,231 0.953,232 4}
{0 CHEMBL124520,1 0.021,2 0.86,3 0.497,4 -0.328,5 5.15,6 1.767,7 4.365,8 4.277,9 1.435,10 1.302,11 3.5,12 1.354,13 4.277,14 4.03,15 3.955,16 0.577,17 0.102,18 391.96,19 301.535,20 305.782,21 448.74,22 289,23 0.376,24 1.027,25 3.904,26 3.36,27 2.254,28 2.961,29 1.918,30 2.671,31 2.532,32 1.152,34 -0.12,35 3.953,36 3.708,37 3.719,38 3.691,39 3.761,40 3.586,41 3.485,42 3.511,43 3.438,44 3.502,45 3.315,46 3.298,47 1.836,48 1.77,49 1.599,50 1.123,51 5.488,52 618,53 12.426,54 12.426,55 12.426,56 12.426,57 12.426,58 4.538,59 465,60 85.105,61 207,62 2.436,63 3.194,64 2,65 2.321,66 5.682,67 1.711,68 1.532,69 3.605,70 1.818,71 2.959,72 2.636,73 3.539,74 2.173,75 1.246,76 1.686,77 2.787,78 2.192,79 1,80 2.387,81 1.156,82 0.122,83 2.888,84 -0.062,85 0.753,86 2.405,87 0.645,88 -0.571,89 2,90 -0.752,91 -0.963,92 -0.784,93 -1,94 -1,95 -2.347,96 0.082,97 5660,98 780.788,99 8616.69,100 101.603,101 0.005,102 0.025,103 16.471,104 4.654,105 3.627,106 1.246,107 2.959,108 1,109 2.787,110 2.387,111 -0.062,112 -0.752,113 -1,114 -2.347,115 2.436,116 2,117 1.711,118 5.682,119 1.532,120 2.321,121 5208,122 3.963,123 2.599,124 0.171,125 0.25,126 0.12,127 0.154,128 0.119,129 0.828,130 75,131 13237,132 9.569,133 9.569,134 21.827,135 91.556,136 0.612,137 37.213,138 0.129,139 6.87,140 4.821,141 13.044,142 1.077,143 -0.477,144 -0.722,145 -0.932,146 1.516,147 1.13,148 11232,149 48.8,150 -0.023,151 7461,152 4.305,153 3.474,154 0.159,155 275.917,156 0.993,157 3.89,158 5.684,159 0.38,160 2.618,161 0.755,162 1.395,163 9.409,164 3.884,165 15.085,166 0.48,167 3.865,168 4.006,169 3.388,170 3.392,171 3.361,172 4.452,173 4.658,174 3.737,175 3.82,176 5.366,177 3.748,178 4.727,179 4.986,180 3.687,181 3.922,182 3.8,183 4.703,184 4.993,185 3.549,186 3.797,187 5.483,188 3.661,189 4.525,190 4.804,191 3.456,192 3.629,193 5.382,194 3.529,195 4.362,196 4.623,197 3.362,198 3.529,199 5.234,200 3.435,201 4.289,202 4.565,203 3.264,204 3.418,205 3.333,206 4.152,207 4.397,208 3.089,209 3.431,210 4.904,211 3.294,212 0.037,213 0.694,214 9.828,215 3.686,216 6.526,217 5.485,218 0.302,219 1.142,220 18.918,221 6.782,222 20.573,223 9.912,224 0.19,225 1.329,226 25.664,227 8.461,228 17.912,229 13.217,230 0.317,231 1.238,232 4}
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