@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2241

@attribute molecule_id {CHEMBL174893,CHEMBL174957,CHEMBL176294,CHEMBL177327,CHEMBL1938618,CHEMBL1938619,CHEMBL1938620,CHEMBL1938621,CHEMBL1938622,CHEMBL1938623,CHEMBL1938624,CHEMBL1938625,CHEMBL1938626,CHEMBL1938627,CHEMBL1938629,CHEMBL1938630,CHEMBL1938633,CHEMBL1938634,CHEMBL1938635,CHEMBL1938636,CHEMBL1938638,CHEMBL1938639,CHEMBL1938640,CHEMBL1938641,CHEMBL359933,CHEMBL369465,CHEMBL405395,CHEMBL426936,CHEMBL441308}
@attribute AMR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS3i numeric
@attribute ATS3s 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 ATSC1i numeric
@attribute ATSC2i numeric
@attribute ATSC2p numeric
@attribute ATSC3m numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8v numeric
@attribute BID numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CID numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute ECC numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_C numeric
@attribute Eta_epsi numeric
@attribute Eta_L numeric
@attribute GGI10 numeric
@attribute GMTI numeric
@attribute GMTIV numeric
@attribute IAC numeric
@attribute IC5 numeric
@attribute IDDM numeric
@attribute IDET numeric
@attribute IDM numeric
@attribute IDMT numeric
@attribute ISIZ numeric
@attribute IVDM numeric
@attribute LPRS numeric
@attribute MDDD numeric
@attribute MSD numeric
@attribute MW numeric
@attribute nAT numeric
@attribute nSK numeric
@attribute ON1 numeric
@attribute Psi_e_0 numeric
@attribute Psi_e_1 numeric
@attribute Psi_i_0 numeric
@attribute Psi_i_s numeric
@attribute P_VSA_i_3 numeric
@attribute RDCHI numeric
@attribute S0K numeric
@attribute S1K numeric
@attribute S2K numeric
@attribute SAtot numeric
@attribute Se numeric
@attribute Si numeric
@attribute SM03_AEA.ri. numeric
@attribute SM05_AEA.dm. numeric
@attribute SM05_AEA.ri. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM06_AEA.ri. numeric
@attribute SM07_AEA.dm. numeric
@attribute SM07_AEA.ri. numeric
@attribute SM08_AEA.ri. numeric
@attribute SM10_AEA.ri. numeric
@attribute SM15_AEA.bo. numeric
@attribute SMTI numeric
@attribute SMTIV numeric
@attribute Sp numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.m. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMax8_Bh.m. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute SpMaxA_EA.bo. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMin3_Bh.e. numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin4_Bh.p. numeric
@attribute SpMin4_Bh.s. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMin6_Bh.p. numeric
@attribute Sv numeric
@attribute TIC0 numeric
@attribute TIC1 numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute TIE numeric
@attribute Uindex numeric
@attribute UNIP numeric
@attribute VAR numeric
@attribute VvdwMG numeric
@attribute VvdwZAZ numeric
@attribute Vx numeric
@attribute X0 numeric
@attribute X0sol numeric
@attribute X0v numeric
@attribute X1 numeric
@attribute X1Kup numeric
@attribute X1Mad numeric
@attribute X1MulPer numeric
@attribute X1Per numeric
@attribute X1sol numeric
@attribute X1v numeric
@attribute XMOD numeric
@attribute Xu numeric
@attribute SpMax7_Bh.m. numeric
@attribute AECC numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute HVcpx numeric
@attribute IDDE numeric
@attribute IDE numeric
@attribute SM03_AEA.dm. numeric
@attribute ATS1m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS3e numeric
@attribute ATS5m numeric
@attribute ATS6m numeric
@attribute ATS7m numeric
@attribute ATS7s numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1v numeric
@attribute ATSC2m numeric
@attribute ATSC2v numeric
@attribute ATSC3i numeric
@attribute ATSC3p numeric
@attribute ATSC3v numeric
@attribute ATSC7i numeric
@attribute ATSC7p numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute Dz numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eta_F numeric
@attribute GGI7 numeric
@attribute GGI8 numeric
@attribute GGI9 numeric
@attribute HDcpx numeric
@attribute MPC01 numeric
@attribute MWC01 numeric
@attribute nBO numeric
@attribute nBT numeric
@attribute nH numeric
@attribute ON1V numeric
@attribute piPC01 numeric
@attribute Psi_i_1 numeric
@attribute SCBO numeric
@attribute SM02_AEA.dm. numeric
@attribute SM02_AEA.ri. numeric
@attribute SM15_AEA.ri. numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpAD_EA.bo. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMin5_Bh.m. numeric
@attribute SpMin6_Bh.e. numeric
@attribute SRW02 numeric
@attribute X2 numeric
@attribute X2sol numeric
@attribute ZM1MulPer numeric
@attribute ZM1Per numeric
@attribute ZM1V numeric
@attribute ATSC7m numeric
@attribute Chi1_EA.bo. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA.bo. numeric
@attribute MATS2e numeric
@attribute P_VSA_MR_5 numeric
@attribute SM04_AEA.dm. numeric
@attribute SNar numeric
@attribute X2v numeric
@attribute Xt numeric
@attribute PHI numeric
@attribute RBN numeric
@attribute S3K numeric
@attribute Eta_B_A numeric
@attribute MATS8s numeric
@attribute DLS_02 numeric
@attribute DLS_cons numeric
@attribute LLS_02 numeric
@attribute SpMin2_Bh.s. numeric
@attribute SpMax6_Bh.m. numeric
@attribute GATS8s numeric
@attribute ATS5s numeric
@attribute DELS numeric
@attribute SPI numeric
@attribute SpMin5_Bh.v. numeric
@attribute C.006 numeric
@attribute CATS2D_09_AL numeric
@attribute IC3 numeric
@attribute JGI10 numeric
@attribute JGI3 numeric
@attribute JGI4 numeric
@attribute NssCH2 numeric
@attribute P_VSA_LogP_2 numeric
@attribute pXC50 numeric

@data
{1 97.435,2 4.041,3 4.163,4 3.462,5 5.262,6 3.43,7 5.102,8 6.165,9 3.938,10 3.865,11 4.916,12 5.129,13 4.002,14 3.922,15 6.379,16 3.853,17 0.724,18 1.07,19 8.455,20 39.218,21 1.192,22 36.146,23 9.441,24 13.506,25 3.339,26 1490,27 16.836,28 16.836,29 16.836,30 16.836,31 16.836,32 15.955,33 10.146,34 17.055,35 12.695,36 12.695,37 12.695,38 12.695,39 12.695,40 4.731,41 13.041,42 3.961,43 523,44 5.745,45 281,46 2.379,47 1.408,48 1.345,49 2.197,50 2.721,51 1.172,52 1.369,53 0.837,54 1.477,55 1.3,56 0.305,57 0.326,58 0.512,59 0.299,60 1.304,61 1.098,62 0.122,63 0.137,64 0.242,65 0.117,66 0.748,67 0.453,68 -0.521,69 -0.56,70 -1.34,71 -0.488,72 0.561,73 0.496,74 -2,75 -0.921,76 12.367,77 30.592,78 33.833,79 8.152,80 0.231,81 7110,82 29763,83 93.976,84 5.32,85 4.722,86 1258.18,87 8.239,88 17482.4,89 310.764,90 4.623,91 135.928,92 29.007,93 6.833,94 405.53,95 54,96 27,97 6.306,98 10.13,99 4.231,100 17.994,101 83.167,102 458.284,103 3.661,104 128.382,105 25.532,106 13.663,107 606.579,108 55.276,109 61.863,110 2.721,111 0.305,112 0.837,113 0.122,114 0.512,115 -0.521,116 0.242,117 -1.34,118 -2,119 1.408,120 7911,121 16298,122 32.983,123 3.688,124 3.732,125 3.603,126 3.479,127 3.499,128 3.529,129 3.562,130 3.471,131 3.29,132 3.308,133 3.44,134 3.503,135 3.388,136 3.243,137 3.245,138 3.347,139 3.37,140 3.134,141 2.851,142 0.154,143 0.233,144 0.146,145 0.109,146 0.122,147 0.106,148 1.609,149 1.564,150 1.853,151 1.052,152 1.835,153 1.436,154 1.383,155 1.697,156 0.842,157 1.69,158 1.405,159 1.355,160 1.516,161 31.577,162 93.976,163 182.916,164 267.254,165 285.254,166 287.254,167 287.254,168 296.65,169 149.935,170 102,171 107,172 209.098,173 385.2,174 501.96,175 20.983,176 21.336,177 16.212,178 12.561,179 8.389,180 11.413,181 8.071,182 6.703,183 13.015,184 9.495,185 85.098,186 26.246,187 3.096,188 10.407,189 1.55,190 0.669,191 0.573,192 1.633,193 3.375,194 4.533,195 3.585,196 0.669,197 3.58,198 3.826,199 5.883,200 4.895,201 4.042,202 3.968,203 3.986,204 6.163,205 12.281,206 5.044,207 6.416,208 25.557,209 11.145,210 1.256,211 10.311,212 13.655,213 1.22,214 9.393,215 13.491,216 1.148,217 62.5,218 2.643,219 2.609,220 2.749,221 1.56,222 3.517,223 2.486,224 2.068,225 1.204,226 1.392,227 1.041,228 0.922,229 0.716,230 0.546,231 0.445,232 21.027,233 0.563,234 0.42,235 0.24,236 1.708,237 3.296,238 3.296,239 26,240 53,241 27,242 3.1,243 3.466,244 13.675,245 31,246 1.204,247 3.517,248 2.643,249 41.71,250 42.198,251 4.975,252 1.781,253 1.739,254 1.611,255 1.243,256 3.97,257 11.329,258 11.907,259 484.115,260 588.82,261 440,262 39.553,263 11.207,264 0.387,265 0.432,266 0.373,267 0.088,268 -1.119,269 0.193,270 99.713,271 0.387,272 15.027,273 7.318,274 0.258,275 12.921,276 14,277 12.527,278 0.032,279 0.105,280 0.33,281 0.58,282 0.75,283 1.209,284 3.248,285 0.869,286 6.304,287 56.886,288 21.716,289 1.665,290 2,291 6,292 5.282,293 0.011,294 0.045,295 0.041,296 6,297 82.062,298 5.387}
{0 CHEMBL174957,1 101.907,2 4.091,3 4.215,4 3.516,5 5.295,6 3.478,7 5.162,8 6.206,9 4.033,10 3.95,11 5.006,12 5.22,13 4.073,14 4.009,15 6.454,16 3.941,17 0.763,18 1.139,19 9.043,20 40.742,21 1.308,22 39.454,23 10.153,24 14.645,25 3.374,26 1618,27 17.173,28 17.173,29 17.173,30 17.173,31 17.173,32 16.291,33 10.286,34 17.38,35 13.236,36 13.236,37 13.236,38 13.236,39 13.236,40 4.856,41 13.56,42 3.995,43 546,44 5.916,45 293,46 2.432,47 1.494,48 1.377,49 2.224,50 2.833,51 1.193,52 1.399,53 1.071,54 1.517,55 1.366,56 0.387,57 0.425,58 0.836,59 0.373,60 1.415,61 1.119,62 0.146,63 0.168,64 0.318,65 0.139,66 0.758,67 0.462,68 -0.515,69 -0.553,70 -1.376,71 -0.483,72 0.567,73 0.505,74 -2,75 -0.921,76 12.867,77 33.602,78 35.133,79 8.525,80 0.248,81 7743,82 31138,83 97.7,84 5.232,85 4.776,86 1356.06,87 8.348,88 19259.9,89 332.475,90 4.666,91 142.303,92 30.056,93 6.886,94 419.56,95 57,96 28,97 6.417,98 10.514,99 4.401,100 18.751,101 85,102 481.827,103 3.702,104 132.606,105 26.532,106 13.666,107 636.412,108 58.16,109 65.278,110 2.833,111 0.387,112 1.071,113 0.146,114 0.836,115 -0.515,116 0.318,117 -1.376,118 -2,119 1.494,120 8604,121 17386,122 34.745,123 3.693,124 3.737,125 3.607,126 3.487,127 3.504,128 3.529,129 3.563,130 3.473,131 3.326,132 3.323,133 3.503,134 3.558,135 3.392,136 3.277,137 3.302,138 3.353,139 3.373,140 3.143,141 2.853,142 0.148,143 0.225,144 0.141,145 0.106,146 0.117,147 0.102,148 1.613,149 1.568,150 1.858,151 1.062,152 1.838,153 1.489,154 1.431,155 1.706,156 0.887,157 1.728,158 1.41,159 1.371,160 1.517,161 33.103,162 97.7,163 192.823,164 282.21,165 296.21,166 298.21,167 298.21,168 322.091,169 159.711,170 107,171 114,172 218.691,173 402.5,174 525.365,175 21.853,176 22.207,177 17.083,178 12.933,179 8.761,180 11.801,181 8.369,182 6.986,183 13.387,184 9.867,185 87.334,186 26.968,187 3.176,188 10.464,189 2.028,190 1.077,191 1,192 1.699,193 3.368,194 4.236,195 3.587,196 1.077,197 3.612,198 3.89,199 5.911,200 4.957,201 4.106,202 4.026,203 4.056,204 6.234,205 13.202,206 5.387,207 6.928,208 27.123,209 12.002,210 1.376,211 11.37,212 15.016,213 1.359,214 10.407,215 15.388,216 1.208,217 64.5,218 2.643,219 2.666,220 2.826,221 1.63,222 3.661,223 2.502,224 2.069,225 1.245,226 1.416,227 1.438,228 1.04,229 0.864,230 0.546,231 0.445,232 21.578,233 0.656,234 0.444,235 0.28,236 1.718,237 3.332,238 3.332,239 27,240 56,241 29,242 3.211,243 3.497,244 14.365,245 32,246 1.245,247 3.661,248 2.643,249 44.157,250 44.312,251 4.975,252 1.784,253 1.766,254 1.612,255 1.246,256 4.007,257 12.059,258 12.61,259 491.025,260 598.06,261 446,262 44.092,263 11.747,264 0.467,265 0.497,266 0.421,267 0.088,268 -1,269 0.196,270 106.003,271 0.467,272 15.433,273 8.009,274 0.255,275 12.95,276 14,277 12.596,278 0.035,279 0.082,280 0.33,281 0.58,282 0.75,283 1.211,284 3.301,285 0.938,286 6.351,287 57.766,288 23.225,289 1.668,290 2,291 6,292 5.197,293 0.01,294 0.046,295 0.043,296 5,297 79.528,298 4.18}
{0 CHEMBL176294,1 109.489,2 4.18,3 4.287,4 3.563,5 5.451,6 3.561,7 5.227,8 6.321,9 4.075,10 4.041,11 5.084,12 5.275,13 4.284,14 4.079,15 6.646,16 4.033,17 0.796,18 1.165,19 9.21,20 43.678,21 1.359,22 44.432,23 11.529,24 15.605,25 3.501,26 2322,27 20.165,28 20.165,29 20.165,30 20.165,31 20.165,32 19.153,33 12.385,34 20.543,35 15.184,36 15.184,37 15.184,38 15.184,39 15.184,40 5.832,41 15.741,42 4.132,43 792,44 6.245,45 420,46 2.58,47 1.592,48 1.565,49 2.433,50 3.108,51 1.376,52 2.051,53 2.558,54 1.763,55 1.633,56 0.712,57 0.727,58 1.334,59 0.643,60 1.7,61 1.386,62 0.435,63 0.478,64 0.893,65 0.399,66 1.524,67 1.364,68 0.387,69 0.423,70 0.835,71 0.373,72 1.424,73 0.795,74 -0.584,75 -0.321,76 14.367,77 36.135,78 40.233,79 9.375,80 0.281,81 11715,82 50579,83 107.861,84 5.558,85 4.965,86 1900.74,87 8.729,88 29826.5,89 361.775,90 4.877,91 170.87,92 39.188,93 7.831,94 479.57,95 61,96 32,97 7.5,98 12.102,99 5.189,100 21.015,101 102.333,102 548.884,103 4.096,104 158,105 30.13,106 16.72,107 698.448,108 63.142,109 69.907,110 3.108,111 0.712,112 2.558,113 0.435,114 1.334,115 0.387,116 0.893,117 0.835,118 -0.584,119 1.592,120 12825,121 26809,122 37.108,123 3.698,124 3.744,125 3.61,126 3.522,127 3.513,128 3.627,129 3.668,130 3.541,131 3.443,132 3.456,133 3.523,134 3.555,135 3.443,136 3.264,137 3.297,138 3.357,139 3.375,140 3.142,141 3.117,142 0.129,143 0.196,144 0.123,145 0.092,146 0.102,147 0.089,148 1.653,149 1.603,150 1.864,151 1.163,152 1.856,153 1.568,154 1.53,155 1.784,156 0.992,157 1.782,158 1.403,159 1.365,160 1.525,161 36.248,162 107.861,163 209.893,164 302.001,165 334.265,166 339.02,167 339.02,168 436.806,169 202.117,170 141,171 182,172 237.344,173 443.53,174 570.88,175 24.681,176 25.035,177 18.39,178 14.971,179 9.627,180 13.577,181 9.385,182 7.754,183 15.425,184 10.796,185 101.625,186 30.362,187 3.241,188 13.125,189 2.226,190 1.247,191 1.193,192 2.362,193 3.636,194 4.539,195 3.832,196 1.247,197 3.747,198 3.92,199 6.118,200 5.025,201 4.269,202 4.218,203 4.264,204 6.517,205 13.065,206 5.586,207 6.782,208 27.83,209 11.903,210 1.336,211 10.719,212 14.461,213 1.35,214 10.947,215 14.055,216 1.757,217 75.5,218 2.71,219 2.739,220 3.462,221 1.702,222 3.662,223 2.629,224 2.579,225 1.493,226 1.618,227 1.826,228 1.438,229 1.185,230 1.04,231 0.844,232 29.02,233 0.719,234 0.519,235 0.32,236 1.752,237 3.466,238 3.466,239 31,240 60,241 29,242 3.483,243 3.638,244 15.884,245 37,246 1.493,247 3.662,248 2.71,249 49.182,250 50.326,251 6.35,252 1.802,253 1.74,254 1.608,255 1.245,256 4.143,257 13.266,258 13.817,259 615.216,260 749.62,261 560,262 44.202,263 13.429,264 1.095,265 1.253,266 1.012,267 0.603,268 -0.354,269 0.208,270 98.014,271 1.095,272 18.205,273 7.889,274 0.234,275 15.743,276 18,277 14.766,278 0.029,279 0.154,280 0.17,281 0.46,282 0.5,283 1.218,284 3.32,285 0.817,286 6.591,287 77.027,288 25.52,289 1.662,290 3,291 7,292 5.48,293 0.008,294 0.044,295 0.04,296 8,297 89.189,298 4.319}
{0 CHEMBL177327,1 90.847,2 3.986,3 4.08,4 3.352,5 5.372,6 3.377,7 4.99,8 6.235,9 3.786,10 3.794,11 4.81,12 4.981,13 4.095,14 3.77,15 6.556,16 3.774,17 0.646,18 0.948,19 7.231,20 34.349,21 0.985,22 31.01,23 8.018,24 10.755,25 3.374,26 1618,27 17.173,28 17.173,29 17.173,30 17.173,31 17.173,32 16.109,33 10.286,34 17.442,35 13.236,36 13.236,37 13.236,38 13.236,39 13.236,40 4.856,41 13.649,42 3.995,43 546,44 5.916,45 293,46 2.433,47 1.494,48 1.376,49 2.224,50 2.833,51 1.192,52 1.397,53 1.071,54 1.527,55 1.366,56 0.387,57 0.425,58 0.836,59 0.373,60 1.427,61 1.116,62 0.146,63 0.169,64 0.318,65 0.138,66 0.772,67 0.459,68 -0.515,69 -0.554,70 -1.376,71 -0.474,72 0.591,73 0.53,74 -2,75 -0.918,76 12.367,77 28.433,78 35.033,79 7.497,80 0.248,81 7743,82 41871,83 91.605,84 5.37,85 4.776,86 1356.06,87 8.348,88 19259.9,89 275.121,90 4.666,91 142.303,92 30.056,93 6.886,94 423.45,95 49,96 28,97 6.417,98 10.569,99 4.654,100 17.732,101 98.333,102 474.627,103 3.702,104 134.606,105 26.13,106 13.331,107 599.423,108 51.607,109 56.246,110 2.833,111 0.387,112 1.071,113 0.146,114 0.836,115 -0.515,116 0.318,117 -1.376,118 -2,119 1.494,120 8604,121 20087,122 30.062,123 3.673,124 3.696,125 3.603,126 3.45,127 3.479,128 3.525,129 3.557,130 3.46,131 3.266,132 3.299,133 3.355,134 3.37,135 3.353,136 3.113,137 3.14,138 3.287,139 3.26,140 3.014,141 2.85,142 0.148,143 0.225,144 0.141,145 0.106,146 0.117,147 0.102,148 1.574,149 1.539,150 1.811,151 0.988,152 1.791,153 1.403,154 1.365,155 1.694,156 0.784,157 1.662,158 1.239,159 1.211,160 1.445,161 30.141,162 91.605,163 171.505,164 229.121,165 255.121,166 263.121,167 263.121,168 349.685,169 159.711,170 107,171 114,172 198.975,173 374.33,174 477.259,175 21.853,176 22.207,177 15.308,178 12.933,179 7.669,180 11.596,181 7.504,182 6.131,183 13.387,184 8.819,185 89.066,186 26.968,187 3.117,188 10.464,189 2.028,190 1.077,191 0.987,192 1.703,193 3.368,194 4.236,195 3.587,196 1.077,197 3.622,198 3.717,199 6.065,200 4.816,201 4.133,202 4.023,203 4.083,204 6.366,205 9.236,206 4.258,207 4.681,208 19.974,209 8.709,210 1.092,211 8.541,212 10.649,213 1.007,214 7.751,215 9.888,216 1.663,217 67.5,218 2.643,219 2.731,220 3.461,221 1.69,222 3.661,223 2.519,224 2.577,225 1.245,226 1.434,227 1.438,228 1.04,229 0.895,230 0.564,231 0.545,232 26.747,233 0.656,234 0.444,235 0.28,236 1.718,237 3.332,238 3.332,239 27,240 48,241 21,242 2.408,243 3.526,244 13.439,245 33,246 1.245,247 3.661,248 2.643,249 44.016,250 45.403,251 6.35,252 1.74,253 1.607,254 1.453,255 1.057,256 4.007,257 12.059,258 12.61,259 593.136,260 713.82,261 536,262 32.419,263 11.462,264 0.467,265 0.503,266 0.418,267 0.084,268 -1.119,269 0.228,270 79.528,271 0.467,272 15.433,273 6.709,274 0.255,275 12.441,276 14,277 12.27,278 0.035,279 0.172,280 0.33,281 0.48,282 0.63,283 1.162,284 3.247,285 0.763,286 6.548,287 74.341,288 23.225,289 1.498,290 2,291 5,292 5.207,293 0.01,294 0.046,295 0.043,296 5,297 79.528,298 4.719}
{0 CHEMBL1938618,1 48.76,2 3.418,3 3.488,4 2.78,5 4.727,6 2.83,7 4.36,8 5.868,9 2.326,10 2.322,11 3.221,12 3.445,13 1.714,14 1.824,15 4.818,16 1.745,17 0.323,18 0.482,19 3.865,20 15.389,21 0.139,22 6.968,23 1.175,24 1.873,25 2.794,26 219,27 9.259,28 9.259,29 9.259,30 9.259,31 9.259,32 8.739,33 5.3,34 9.405,35 7.299,36 7.299,37 7.299,38 7.299,39 7.299,40 2.477,41 7.559,42 3.399,43 181,44 2.739,45 95,46 1.141,47 0.244,48 0.22,49 0.349,50 -1.688,51 -0.664,52 -0.275,53 -3.067,54 -0.234,55 -0.381,56 -1.266,57 -1.452,58 -3.204,59 -1.163,60 -0.408,61 -0.544,62 -1.481,63 -1.595,64 -4.231,65 -1.36,66 -0.472,67 -0.627,68 -1.591,69 -1.901,70 -4.897,71 -1.588,72 -0.821,73 -0.939,74 -7.496,75 -2,76 6.5,77 11.668,78 18.7,79 3.835,81 1281,82 6148,83 41.323,84 4.505,85 3.876,86 294.156,87 6.511,88 2421.99,89 128.382,90 3.756,91 58.242,92 8.907,93 4.005,94 216.21,95 27,96 15,97 3.361,98 5.645,99 2.548,100 9.668,101 50,102 295.28,103 2.534,104 58.603,105 12.007,106 4.636,107 333.684,108 28.265,109 30.748,110 -1.688,111 -1.266,112 -3.067,113 -1.481,114 -3.204,115 -1.591,116 -4.231,117 -4.897,118 -7.496,119 0.244,120 1471,121 3239,122 16.295,123 3.247,124 3.292,125 3.122,126 3.05,127 3.057,128 3.154,129 3.16,130 3.064,131 2.874,132 2.915,133 2.795,134 2.851,135 2.582,136 2.449,137 2.464,138 2.52,139 2.555,140 2.053,141 2.028,142 0.287,143 0.442,144 0.274,145 0.209,146 0.237,147 0.203,148 1.203,149 1.155,150 1.449,151 0.664,152 1.458,153 1.01,154 0.995,155 1.339,156 0.284,157 1.29,158 0.697,159 0.629,160 0.885,161 16.45,162 41.323,163 90.872,164 112.872,165 119.627,166 121.627,167 121.627,168 49.667,169 31.054,170 35,171 34,172 104.903,173 196.72,174 247.724,175 11.585,176 11.585,177 8.083,178 6.93,179 4.236,180 6.459,181 4.15,182 3.386,183 6.93,184 4.351,185 45.378,186 15.002,187 2.219,188 6.333,189 0.097,190 -1,191 -1.057,193 2.693,194 3.507,195 2.801,196 -1,197 2.966,198 3.124,199 5.312,200 4.239,201 2.963,202 2.77,203 2.522,204 5.297,205 5.351,206 2.566,207 2.836,208 10.285,209 4.662,210 0.559,211 4.466,212 5.606,213 0.231,214 1.918,215 2.867,216 0.423,217 36,218 0.96,219 1.351,220 1.003,221 0.293,222 0.555,223 0.687,224 0.446,225 -0.667,226 -0.815,227 -0.557,228 -0.904,229 -1.074,230 -1.461,231 -1.821,232 11.201,233 0.118,236 1.534,237 2.773,238 2.773,239 15,240 27,241 12,242 1.339,243 2.944,244 7.614,245 18,246 -0.667,247 0.555,248 0.96,249 23.908,250 25.625,251 3.609,252 1.472,253 1.215,254 1.056,255 0.269,256 3.434,257 6.522,258 6.522,259 296.987,260 365.41,261 272,262 8.868,263 6.363,264 -1.215,265 -1.313,266 -1.099,267 -1,268 -2.537,269 -0.066,270 13.418,271 -1.215,272 8.671,273 3.282,274 0.34,275 3.711,276 3,277 2.7,278 0.038,279 -0.144,280 1,281 0.99,282 1,283 0.754,284 2.307,285 1.452,286 5.515,287 36.796,288 10.514,289 1.069,290 1,292 4.431,294 0.06,295 0.067,296 1,297 4.592,298 4}
{0 CHEMBL1938619,1 48.76,2 3.418,3 3.488,4 2.78,5 4.726,6 2.83,7 4.364,8 5.873,9 2.321,10 2.328,11 3.305,12 3.527,13 1.749,14 1.91,15 4.865,16 1.821,17 0.323,18 0.482,19 3.865,20 15.534,21 0.154,22 7.55,23 1.297,24 2.045,25 2.794,26 219,27 9.259,28 9.259,29 9.259,30 9.259,31 9.259,32 8.753,33 5.3,34 9.418,35 7.299,36 7.299,37 7.299,38 7.299,39 7.299,40 2.477,41 7.57,42 3.399,43 181,44 2.739,45 95,46 1.158,47 0.244,48 0.228,49 0.275,50 -1.688,51 -0.616,52 -0.219,53 -3.067,54 -0.225,55 -0.393,56 -1.266,57 -1.529,58 -3.204,59 -1.174,60 -0.404,61 -0.549,62 -1.481,63 -1.58,64 -4.231,65 -1.372,66 -0.469,67 -0.627,68 -1.591,69 -1.931,70 -4.897,71 -1.598,72 -0.813,73 -0.942,74 -7.496,75 -2,76 6.5,77 11.608,78 18.7,79 3.841,81 1281,82 6108,83 41.323,84 4.505,85 3.876,86 294.156,87 6.511,88 2421.99,89 128.382,90 3.756,91 58.242,92 8.907,93 4.005,94 216.21,95 27,96 15,97 3.361,98 5.647,99 2.549,100 9.668,101 50,102 295.28,103 2.534,104 58.603,105 12.007,106 4.636,107 333.684,108 28.265,109 30.748,110 -1.688,111 -1.266,112 -3.067,113 -1.481,114 -3.204,115 -1.591,116 -4.231,117 -4.897,118 -7.496,119 0.244,120 1471,121 3230,122 16.295,123 3.247,124 3.293,125 3.123,126 3.051,127 3.057,128 3.156,129 3.167,130 3.058,131 2.875,132 2.915,133 2.781,134 2.828,135 2.584,136 2.439,137 2.46,138 2.507,139 2.541,140 2.054,141 2.073,142 0.289,143 0.442,144 0.275,145 0.209,146 0.242,147 0.205,148 1.206,149 1.156,150 1.449,151 0.666,152 1.46,153 1.019,154 0.999,155 1.352,156 0.368,157 1.308,158 0.668,159 0.612,160 0.857,161 16.45,162 41.323,163 90.872,164 112.872,165 119.627,166 121.627,167 121.627,168 50.128,169 31.054,170 35,171 34,172 104.903,173 196.72,174 247.724,175 11.585,176 11.585,177 8.083,178 6.93,179 4.242,180 6.459,181 4.158,182 3.391,183 6.93,184 4.357,185 45.378,186 15.002,187 2.221,188 6.333,189 0.096,190 -1,191 -1.069,193 2.693,194 3.507,195 2.801,196 -1,197 2.966,198 3.124,199 5.314,200 4.239,201 2.962,202 2.766,203 2.527,204 5.255,205 5.351,206 2.566,207 2.836,208 10.285,209 4.662,210 0.555,211 4.428,212 5.591,213 0.226,214 1.857,215 2.644,216 0.458,217 36,218 0.999,219 1.366,220 1.141,221 0.307,222 0.555,223 0.633,224 0.407,225 -0.667,226 -0.718,227 -0.583,228 -0.894,229 -1.31,230 -1.338,231 -1.816,232 11.26,233 0.118,236 1.534,237 2.773,238 2.773,239 15,240 27,241 12,242 1.346,243 2.944,244 7.608,245 18,246 -0.667,247 0.555,248 0.999,249 24.144,250 25.616,251 3.613,252 1.478,253 1.247,254 0.983,255 0.275,256 3.434,257 6.522,258 6.522,259 296.839,260 365.85,261 272,262 8.043,263 6.37,264 -1.215,265 -1.311,266 -1.105,267 -1,268 -2.512,269 -0.066,270 13.418,271 -1.215,272 8.671,273 3.262,274 0.34,275 3.711,276 3,277 2.7,278 0.038,279 -0.151,280 1,281 0.99,282 1,283 0.768,284 2.299,285 1.351,286 5.505,287 36.845,288 10.514,289 1.026,290 1,292 4.431,294 0.06,295 0.067,296 1,297 4.592,298 4}
{0 CHEMBL1938620,1 48.76,2 3.418,3 3.488,4 2.78,5 4.726,6 2.83,7 4.364,8 5.873,9 2.321,10 2.328,11 3.305,12 3.527,13 1.749,14 1.91,15 4.865,16 1.821,17 0.323,18 0.482,19 3.865,20 15.534,21 0.154,22 7.55,23 1.297,24 2.045,25 2.794,26 219,27 9.259,28 9.259,29 9.259,30 9.259,31 9.259,32 8.753,33 5.3,34 9.418,35 7.299,36 7.299,37 7.299,38 7.299,39 7.299,40 2.477,41 7.57,42 3.399,43 181,44 2.739,45 95,46 1.158,47 0.244,48 0.228,49 0.275,50 -1.688,51 -0.616,52 -0.219,53 -3.067,54 -0.225,55 -0.393,56 -1.266,57 -1.529,58 -3.204,59 -1.174,60 -0.404,61 -0.549,62 -1.481,63 -1.58,64 -4.231,65 -1.372,66 -0.469,67 -0.627,68 -1.591,69 -1.931,70 -4.897,71 -1.598,72 -0.813,73 -0.942,74 -7.496,75 -2,76 6.5,77 11.608,78 18.7,79 3.841,81 1281,82 6108,83 41.323,84 4.505,85 3.876,86 294.156,87 6.511,88 2421.99,89 128.382,90 3.756,91 58.242,92 8.907,93 4.005,94 216.21,95 27,96 15,97 3.361,98 5.647,99 2.549,100 9.668,101 50,102 295.28,103 2.534,104 58.603,105 12.007,106 4.636,107 333.684,108 28.265,109 30.748,110 -1.688,111 -1.266,112 -3.067,113 -1.481,114 -3.204,115 -1.591,116 -4.231,117 -4.897,118 -7.496,119 0.244,120 1471,121 3230,122 16.295,123 3.247,124 3.293,125 3.123,126 3.051,127 3.057,128 3.156,129 3.167,130 3.058,131 2.875,132 2.915,133 2.781,134 2.828,135 2.584,136 2.439,137 2.46,138 2.507,139 2.541,140 2.054,141 2.073,142 0.289,143 0.442,144 0.275,145 0.209,146 0.242,147 0.205,148 1.206,149 1.156,150 1.449,151 0.666,152 1.46,153 1.019,154 0.999,155 1.352,156 0.368,157 1.308,158 0.668,159 0.612,160 0.857,161 16.45,162 41.323,163 90.872,164 112.872,165 119.627,166 121.627,167 121.627,168 50.128,169 31.054,170 35,171 34,172 104.903,173 196.72,174 247.724,175 11.585,176 11.585,177 8.083,178 6.93,179 4.242,180 6.459,181 4.158,182 3.391,183 6.93,184 4.357,185 45.378,186 15.002,187 2.221,188 6.333,189 0.096,190 -1,191 -1.069,193 2.693,194 3.507,195 2.801,196 -1,197 2.966,198 3.124,199 5.314,200 4.239,201 2.962,202 2.766,203 2.527,204 5.255,205 5.351,206 2.566,207 2.836,208 10.285,209 4.662,210 0.555,211 4.428,212 5.591,213 0.226,214 1.857,215 2.644,216 0.458,217 36,218 0.999,219 1.366,220 1.141,221 0.307,222 0.555,223 0.633,224 0.407,225 -0.667,226 -0.718,227 -0.583,228 -0.894,229 -1.31,230 -1.338,231 -1.816,232 11.26,233 0.118,236 1.534,237 2.773,238 2.773,239 15,240 27,241 12,242 1.346,243 2.944,244 7.608,245 18,246 -0.667,247 0.555,248 0.999,249 24.144,250 25.616,251 3.613,252 1.478,253 1.247,254 0.983,255 0.275,256 3.434,257 6.522,258 6.522,259 296.839,260 365.85,261 272,262 8.043,263 6.37,264 -1.215,265 -1.311,266 -1.105,267 -1,268 -2.512,269 -0.066,270 13.418,271 -1.215,272 8.671,273 3.262,274 0.34,275 3.711,276 3,277 2.7,278 0.038,279 -0.151,280 1,281 0.99,282 1,283 0.768,284 2.299,285 1.351,286 5.505,287 36.845,288 10.514,289 1.026,290 1,292 4.431,294 0.06,295 0.067,296 1,297 4.592,298 4}
{0 CHEMBL1938621,1 80.955,2 3.968,3 4.055,4 3.334,5 4.983,6 3.354,7 4.985,8 6.079,9 3.713,10 3.596,11 4.551,12 4.773,13 3.007,14 3.427,15 5.556,16 3.279,17 0.586,18 0.906,19 7.223,20 32.59,21 0.745,22 23.707,23 6.313,24 9.243,25 3.191,26 599,27 14.596,28 14.596,29 14.596,30 14.596,31 14.596,32 14.283,33 7.657,34 14.743,35 12.085,36 12.085,37 12.085,38 12.085,39 12.085,40 3.401,41 12.414,42 3.855,43 342,44 3.674,45 164,46 2.029,47 1.118,48 1.002,49 1.575,50 1.804,51 0.604,52 1.192,53 0.537,54 1.153,55 1.018,56 0.136,57 0.137,58 0.215,59 0.118,60 0.622,61 0.453,62 -0.506,63 -0.511,64 -1.638,65 -0.477,66 0.488,67 0.376,68 -0.656,69 -0.743,70 -1.883,71 -0.674,72 0.262,74 -3,75 -1,76 10.333,77 28.382,78 28.667,79 6.844,81 4247,82 11833,83 67.375,84 4.607,85 4.499,86 747.952,87 7.797,88 7984.52,89 261.066,90 4.368,91 102.851,92 14.389,93 4.521,94 328.4,95 47,96 23,97 4.84,98 8.671,99 3.903,100 16.182,101 54.583,102 373.651,103 3.113,104 102.042,105 17.019,106 5.343,107 453.105,108 47.894,109 53.448,110 1.804,111 0.136,112 0.537,113 -0.506,114 0.215,115 -0.656,116 -1.638,117 -1.883,118 -3,119 1.118,120 4352,121 7347,122 28.318,123 3.56,124 3.598,125 3.455,126 3.386,127 3.392,128 3.316,129 3.373,130 3.145,131 3.03,132 3.038,133 3.21,134 3.266,135 3.054,136 3.016,137 3.019,138 3.105,139 3.194,140 2.856,141 2.731,142 0.193,143 0.335,144 0.192,145 0.153,146 0.153,147 0.151,148 1.523,149 1.477,150 1.722,151 0.956,152 1.735,153 1.253,154 1.183,155 1.575,156 0.718,157 1.585,158 1.18,159 1.126,160 1.384,161 27.325,162 67.375,163 124.759,164 182.536,165 192.536,166 208.536,167 216.536,168 53.843,169 36.428,170 63,171 55,172 164.187,173 304.53,174 392.375,175 17.044,176 17.044,177 14.374,178 10.646,179 7.445,180 9.819,181 7.069,182 5.801,183 10.646,184 7.666,185 69.712,186 21.382,187 2.805,188 7.13,189 1.322,190 0.456,191 0.389,192 1.442,193 2.849,194 3.882,195 2.956,196 0.456,197 3.476,198 3.718,199 5.7,200 4.89,201 3.966,202 3.762,203 3.476,204 5.794,205 11.174,206 4.777,207 6.024,208 24.647,209 9.522,210 1.153,211 9.071,212 11.423,213 0.993,214 8.442,215 12.584,216 0.818,217 53,218 2.409,219 2.216,220 2.011,221 1.165,222 3.047,223 1.75,224 1.603,225 0.698,226 0.711,227 0.762,228 0.202,229 0.036,230 -0.164,231 -0.517,232 15.933,233 0.464,234 0.123,235 0.016,236 1.667,237 3.258,238 3.258,239 25,240 49,241 24,242 2.618,243 3.332,244 13.642,245 27,246 0.698,247 3.047,248 2.409,249 41.354,250 41.197,251 3.977,252 1.771,253 1.616,254 1.539,255 1.106,256 3.932,257 11.108,258 11.108,259 400.256,260 538.93,261 378,262 31.16,263 11.483,264 0.258,265 0.308,266 0.235,268 -1,269 0.032,270 39.893,271 0.258,272 15.197,273 6.769,274 0.257,275 3.954,276 2,277 2.559,278 0.045,279 -0.317,280 1,281 1,282 1,283 1.046,284 2.959,285 1.866,286 6.15,287 38.293,288 15.04,289 1.473,290 1,292 4.097,294 0.057,295 0.077,296 1,297 4.592,298 4}
{0 CHEMBL1938622,1 68.748,2 3.808,3 3.891,4 3.144,5 4.936,6 3.177,7 4.786,8 5.999,9 3.269,10 3.109,11 4.075,12 4.359,13 2.263,14 2.763,15 5.152,16 2.559,17 0.483,18 0.73,19 5.793,20 25.862,21 0.383,22 15.534,23 3.357,24 5.604,25 3.06,26 372,27 12.864,28 12.864,29 12.864,30 12.864,31 12.864,32 12.551,33 6.794,34 12.985,35 10.004,36 10.004,37 10.004,38 10.004,39 10.004,40 2.851,41 10.284,42 3.7,43 276,44 3.391,45 138,46 1.516,47 0.651,48 0.556,49 1.307,50 0.595,51 0.379,52 0.99,53 0.168,54 0.504,55 0.368,56 -0.602,57 -0.609,58 -1.789,59 -0.57,60 0.349,61 0.189,62 -0.796,63 -0.885,64 -1.988,65 -0.785,66 0.079,68 -1,69 -1.122,70 -3.126,71 -0.989,72 -0.246,73 -0.296,74 -3.971,75 -1.327,76 8.833,77 21.966,78 25.367,79 5.756,81 2659,82 9141,83 58.681,84 4.646,85 4.294,86 536.624,87 7.393,88 5219.11,89 212.877,90 4.16,91 84.761,92 11.6,93 4.137,94 288.33,95 40,96 20,97 4.507,98 7.557,99 3.422,100 13.621,101 54.333,102 366.391,103 2.828,104 84.439,105 15.568,106 5.183,107 423.603,108 41.127,109 45.618,110 0.595,111 -0.602,112 0.168,113 -0.796,114 -1.789,115 -1,116 -1.988,117 -3.126,118 -3.971,119 0.651,120 2890,121 5391,122 23.796,123 3.323,124 3.375,125 3.188,126 3.063,127 3.078,128 3.282,129 3.324,130 3.124,131 3.021,132 3.032,133 3.135,134 3.202,135 3.01,136 2.86,137 2.889,138 3.093,139 3.173,140 2.809,141 2.611,142 0.229,143 0.399,144 0.229,145 0.182,146 0.182,147 0.18,148 1.254,149 1.188,150 1.576,151 0.708,152 1.585,153 1.214,154 1.166,155 1.498,156 0.657,157 1.497,158 1.108,159 1.009,160 1.376,161 23.272,162 58.681,163 123.39,164 167.858,165 173.858,166 177.858,167 185.858,168 58.916,169 35.985,170 52,171 50,172 142.803,173 264.99,174 340.199,175 15.129,176 15.129,177 11.952,178 9.315,179 6.112,180 8.591,181 5.867,182 4.808,183 9.315,184 6.308,185 61.396,186 18.863,187 2.735,188 6.9,189 1.077,190 0.149,191 0.133,192 1.129,193 2.764,194 4.022,195 2.824,196 0.149,197 3.31,198 3.52,199 5.559,200 4.691,201 3.738,202 3.414,203 2.898,204 5.572,205 9.288,206 3.889,207 4.842,208 19.617,209 7.61,210 0.926,211 7.285,212 9.358,213 0.629,214 5.446,215 8.682,216 0.623,217 47,218 2.208,219 1.669,220 1.499,221 0.656,222 1.501,223 1.564,224 1.229,225 0.446,226 0.447,227 0.173,228 -0.122,229 -0.459,230 -0.828,231 -0.849,232 14.635,233 0.177,234 0.025,236 1.629,237 3.091,238 3.091,239 21,240 41,241 20,242 2.063,243 3.178,244 11.208,245 23,246 0.446,247 1.501,248 2.208,249 33.888,250 34.051,251 4.025,252 1.616,253 1.539,254 1.514,255 1.082,256 3.761,257 8.805,258 8.805,259 360.765,260 471.09,261 338,262 22.915,263 9.372,264 0.108,265 0.111,266 0.094,267 -0.469,268 -1.419,269 -0.066,270 17.65,271 0.108,272 12.425,273 5.145,274 0.284,275 4.034,276 3,277 2.24,278 0.039,279 -0.11,280 1,281 0.99,282 1,283 1.025,284 2.816,285 1.274,286 6.183,287 40.898,288 13.566,289 1.449,290 1,292 4.346,294 0.063,295 0.075,296 1,298 4}
{0 CHEMBL1938623,1 77.9,2 3.918,3 3.999,4 3.261,5 5.052,6 3.296,7 4.868,8 6.092,9 3.555,10 3.449,11 4.411,12 4.665,13 2.958,14 3.139,15 5.498,16 3.028,17 0.545,18 0.81,19 6.446,20 27.955,21 0.562,22 21.898,23 4.781,24 7.511,25 3.19,26 645,27 14.563,28 14.563,29 14.563,30 14.563,31 14.563,32 14.042,33 7.907,34 14.76,35 11.559,36 11.559,37 11.559,38 11.559,39 11.559,40 3.503,41 11.927,42 3.835,43 386,44 3.937,45 193,46 1.868,47 0.932,48 0.855,49 1.526,50 1.568,51 0.563,52 1.193,53 0.509,54 1.132,55 0.993,56 0.115,57 0.116,58 0.185,59 0.1,60 0.695,61 0.371,62 -0.594,63 -0.596,64 -1.682,65 -0.559,66 0.459,67 0.356,68 -0.657,69 -0.781,70 -1.988,71 -0.662,72 0.365,73 0.118,74 -2.985,75 -1.076,76 10.167,77 25.632,78 28.833,79 6.334,80 0.033,81 4210,82 14863,83 66.423,84 4.786,85 4.489,86 801.709,87 7.769,88 8670.64,89 247.133,90 4.366,91 104.691,92 17.611,93 5.019,94 330.37,95 45,96 23,97 5.09,98 8.678,99 3.865,100 15.607,101 62.5,102 395.166,103 3.128,104 104.042,105 18.199,106 6.396,107 472.987,108 46.338,109 51.242,110 1.568,111 0.115,112 0.509,113 -0.594,114 0.185,115 -0.657,116 -1.682,117 -1.988,118 -2.985,119 0.932,120 4504,121 8516,122 27.011,123 3.536,124 3.555,125 3.449,126 3.281,127 3.313,128 3.32,129 3.375,130 3.166,131 3.029,132 3.044,133 3.2,134 3.255,135 3.061,136 3.002,137 3.002,138 3.134,139 3.194,140 2.889,141 2.735,142 0.201,143 0.349,144 0.2,145 0.159,146 0.16,147 0.157,148 1.431,149 1.398,150 1.705,151 0.757,152 1.692,153 1.253,154 1.185,155 1.576,156 0.667,157 1.585,158 1.168,159 1.112,160 1.383,161 26.513,162 66.423,163 142.695,164 199.359,165 203.359,166 207.359,167 215.359,168 73.137,169 45.006,170 69,171 76,172 163.057,173 305.74,174 389.618,175 17.414,176 17.414,177 13.821,178 10.671,179 6.966,180 9.813,181 6.658,182 5.479,183 10.671,184 7.189,185 70.309,186 21.834,187 2.806,188 8.391,189 1.32,190 0.453,191 0.387,192 1.44,193 3.013,194 3.621,195 3.169,196 0.453,197 3.44,198 3.613,199 5.72,200 4.778,201 3.915,202 3.751,203 3.407,204 6.01,205 9.989,206 4.39,207 5.379,208 21.876,209 8.384,210 1.009,211 7.89,212 9.748,213 0.85,214 7.232,215 11.106,216 0.962,217 54,218 2.393,219 2.097,220 1.906,221 1.005,222 2.344,223 1.736,224 1.573,225 0.657,226 0.665,227 0.788,228 0.448,229 0.183,230 -0.082,231 -0.355,232 18.368,233 0.311,234 0.193,235 0.151,236 1.664,237 3.219,238 3.219,239 24,240 46,241 22,242 2.379,243 3.332,244 12.566,245 27,246 0.657,247 2.344,248 2.393,249 38.838,250 39.808,251 4.062,252 1.694,253 1.616,254 1.538,255 1.105,256 3.892,257 10.368,258 10.368,259 430.079,260 559.21,261 402,262 30.133,263 10.63,264 0.256,265 0.317,266 0.234,268 -1.218,269 -0.001,270 31.068,271 0.256,272 14.216,273 5.767,274 0.265,275 5.061,276 5,277 3.107,278 0.04,279 -0.125,280 1,281 1,282 1,283 1.028,284 2.998,285 1.24,286 6.211,287 46.58,288 16.403,289 1.472,290 1,291 2,292 4.519,293 0.005,294 0.058,295 0.071,296 1,297 4.592,298 4}
{0 CHEMBL1938624,1 53.512,2 3.509,3 3.586,4 2.865,5 4.758,6 2.904,7 4.401,8 5.818,9 2.576,10 2.545,11 3.408,12 3.616,13 2.096,14 2.174,15 4.914,16 2.108,17 0.357,18 0.521,19 4.176,20 16.38,21 0.197,22 7.839,23 1.644,24 2.465,25 2.852,26 262,27 10.129,28 10.129,29 10.129,30 10.129,31 10.129,32 9.623,33 5.823,34 10.427,35 7.736,36 7.736,37 7.736,38 7.736,39 7.736,40 2.632,41 8.115,42 3.464,43 196,44 2.915,45 103,46 1.226,47 0.285,48 0.26,49 0.859,50 -0.092,51 -0.047,52 0.055,53 -2.16,55 -0.23,56 -1.232,57 -1.342,58 -3.085,59 -1.143,60 -0.34,61 -0.465,62 -1.351,63 -1.577,64 -3.544,65 -1.213,66 -0.424,67 -0.556,68 -1.504,69 -1.661,70 -4.271,71 -1.42,72 -0.642,73 -0.815,74 -5.591,75 -1.763,76 7,77 12.913,78 20,79 4.121,81 1522,82 6625,83 45.175,84 4.523,85 3.967,86 342.347,87 6.706,88 2970.89,89 147.207,90 3.858,91 63.868,92 10.125,93 4.162,94 230.24,95 30,96 16,97 3.694,98 5.994,99 2.6,100 10.501,101 49.5,102 298.91,103 2.628,104 64,105 13.002,106 5.32,107 348.197,108 31.149,109 34.163,110 -0.092,111 -1.232,112 -2.16,113 -1.351,114 -3.085,115 -1.504,116 -3.544,117 -4.271,118 -5.591,119 0.285,120 1739,121 3655,122 18.057,123 3.318,124 3.36,125 3.19,126 3.066,127 3.078,128 3.236,129 3.282,130 3.1,131 2.994,132 3.017,133 2.963,134 3.014,135 2.775,136 2.703,137 2.702,138 2.765,139 2.823,140 2.456,141 2.173,142 0.272,143 0.416,144 0.258,145 0.197,146 0.227,147 0.193,148 1.239,149 1.185,150 1.55,151 0.667,152 1.553,153 1.182,154 1.13,155 1.445,156 0.583,157 1.454,158 0.903,159 0.843,160 1.043,161 17.976,162 45.175,163 101.153,164 131.697,165 135.697,166 135.697,167 135.697,168 51.553,169 34.344,170 39,171 38,172 114.496,173 214.02,174 271.13,175 12.293,176 12.293,177 9.044,178 7.468,179 4.602,180 6.911,181 4.464,182 3.676,183 7.468,184 4.742,185 49.144,186 15.939,187 2.275,188 6.438,189 0.112,190 -0.857,191 -0.781,192 0.319,193 2.727,194 3.203,195 2.853,196 -0.857,197 3.039,198 3.191,199 5.333,200 4.281,201 3.154,202 2.968,203 2.651,204 5.353,205 6.217,206 2.859,207 3.348,208 12.774,209 5.248,210 0.608,211 4.857,212 6.167,213 0.308,214 2.552,215 3.924,216 0.419,217 38,218 1.123,219 1.548,220 1.367,221 0.337,222 0.641,223 1.044,224 0.844,225 -0.053,226 -0.057,227 -0.254,228 -0.658,229 -0.921,230 -1.315,231 -1.376,232 12.045,233 0.181,236 1.556,237 2.833,238 2.833,239 16,240 30,241 14,242 1.501,243 2.996,244 8.095,245 19,246 -0.053,247 0.641,248 1.123,249 25.126,250 26.624,251 3.614,252 1.579,253 1.469,254 1.19,255 0.668,256 3.497,257 6.713,258 6.713,259 307.725,260 382.11,261 284,262 13.153,263 6.817,264 -1,265 -1.276,266 -1.086,267 -0.999,268 -2,269 -0.113,270 13.418,271 -1,272 9.364,273 3.472,274 0.327,275 4.323,276 4,277 2.969,278 0.033,279 0.019,280 1,281 0.99,282 1,283 0.772,284 2.541,285 1.115,286 5.547,287 34.96,288 11.105,289 1.196,290 1,292 4.523,294 0.06,295 0.063,296 1,297 4.592,298 4}
{0 CHEMBL1938625,1 78.124,2 3.788,3 3.869,4 3.261,5 4.99,6 3.27,7 4.735,8 5.993,9 3.535,10 3.49,11 4.373,12 4.574,13 3.286,14 3.366,15 5.711,16 3.301,17 0.498,18 0.777,19 6.363,20 21.933,21 0.724,22 19.025,23 6.052,24 7.853,25 3.146,26 688,27 14.397,28 14.397,29 14.397,30 14.397,31 14.397,32 13.14,33 8.589,34 14.635,35 11.292,36 11.292,37 11.292,38 11.292,39 11.292,40 4.085,41 11.678,42 3.803,43 415,44 3.162,45 204,46 2,47 1,48 1,49 1.946,50 2.136,51 0.924,52 1.227,53 0.649,54 1.253,55 1.031,56 0.104,57 0.121,58 0.246,59 0.096,60 0.75,61 0.421,62 -0.549,63 -0.638,64 -1.306,65 -0.528,66 0.529,67 0.106,68 -0.894,69 -1.04,70 -2,71 -0.834,72 0.5,73 0.342,74 -2.347,75 -1.086,76 10,77 17.796,78 25.4,79 5.249,80 0.066,81 4575,82 15573,83 58.309,84 4.903,85 4.427,86 774.852,87 7.619,88 8654.94,89 212.877,90 4.365,91 101.532,92 18.545,93 5.631,94 306.34,95 40,96 22,97 4.944,98 8.255,99 3.607,100 14.921,101 60.667,102 345.994,103 3.368,104 94.107,105 16.525,106 7.428,107 439.557,108 40.916,109 44.993,110 2.136,111 0.104,112 0.649,113 -0.549,114 0.246,115 -0.894,116 -1.306,117 -2,118 -2.347,119 1,120 4693,121 8735,122 25.58,123 3.558,124 3.573,125 3.471,126 3.293,127 3.327,128 3.291,129 3.321,130 3.189,131 3.08,132 3.092,133 3.235,134 3.278,135 3.102,136 3.028,137 3.037,138 3.003,139 3.038,140 2.819,141 2.57,142 0.189,143 0.29,144 0.18,145 0.137,146 0.158,147 0.134,148 1.445,149 1.415,150 1.731,151 0.772,152 1.71,153 1.228,154 1.185,155 1.473,156 0.667,157 1.475,158 1.181,159 1.136,160 1.201,161 25.03,162 58.309,163 142.538,164 177.758,165 193.367,166 196.122,167 196.122,168 61.468,169 42.133,170 72,171 72,172 155.874,173 286.64,174 372.093,175 16.113,176 16.113,177 12.138,178 10.486,179 6.755,180 9.956,181 6.602,182 5.43,183 10.486,184 6.887,185 67.042,186 21.78,187 2.687,188 9.273,189 1.538,190 0.635,191 0.564,192 1.625,193 3.205,194 4.005,195 3.354,196 0.635,197 3.34,198 3.608,199 5.553,200 4.591,201 3.55,202 3.569,203 3.525,204 5.854,205 7.96,206 4.072,207 4.602,208 15.504,209 7.473,210 0.941,211 7.708,212 9.313,213 0.828,214 6.9,215 8.853,216 0.61,217 50,218 2.352,219 2.5,220 1.669,221 1.5,222 2.45,223 2.273,224 1.367,225 1,226 1.149,227 0.876,228 0.375,229 -0.039,230 -0.253,231 -0.46,232 19.264,233 0.408,234 0.144,235 0.111,236 1.647,237 3.178,238 3.178,239 23,240 41,241 18,242 2.154,243 3.401,244 11.881,245 29,246 1,247 2.45,248 2.352,249 35.753,250 41.195,251 3.921,252 1.702,253 1.491,254 1.441,255 0.941,256 3.85,257 9.386,258 9.386,259 374.803,260 479.14,261 348,262 21.098,263 9.329,264 0.288,265 0.337,266 0.261,268 -1.351,269 -0.06,270 18.01,271 0.288,272 14.622,273 5.033,274 0.262,275 5.58,276 6,277 4.326,278 0.027,279 -0.012,280 1,281 1,282 1,283 1.125,284 2.88,285 1.063,286 5.733,287 39.44,288 12.881,289 1.439,290 2,291 5,292 4.834,293 0.008,294 0.043,295 0.052,296 2,297 9.185,298 4}
{0 CHEMBL1938626,1 77.9,2 3.918,3 3.999,4 3.261,5 5.051,6 3.296,7 4.87,8 6.097,9 3.553,10 3.451,11 4.437,12 4.69,13 2.969,14 3.163,15 5.522,16 3.049,17 0.545,18 0.81,19 6.446,20 28.028,21 0.576,22 22.483,23 4.901,24 7.686,25 3.19,26 645,27 14.563,28 14.563,29 14.563,30 14.563,31 14.563,32 14.056,33 7.907,34 14.774,35 11.559,36 11.559,37 11.559,38 11.559,39 11.559,40 3.503,41 11.939,42 3.835,43 386,44 3.937,45 193,46 1.887,47 0.932,48 0.869,49 1.554,50 1.568,51 0.578,52 1.193,53 0.509,54 1.138,55 1,56 0.115,57 0.117,58 0.185,59 0.101,60 0.645,61 0.384,62 -0.594,63 -0.611,64 -1.682,65 -0.573,66 0.461,67 0.284,68 -0.657,69 -0.697,70 -1.988,71 -0.607,72 0.355,73 0.125,74 -2.985,75 -1.078,76 10.167,77 25.572,78 28.833,79 6.34,80 0.033,81 4210,82 14823,83 66.423,84 4.786,85 4.489,86 801.709,87 7.769,88 8670.64,89 247.133,90 4.366,91 104.691,92 17.611,93 5.019,94 330.37,95 45,96 23,97 5.09,98 8.68,99 3.866,100 15.607,101 62.5,102 395.166,103 3.128,104 104.042,105 18.199,106 6.396,107 472.987,108 46.338,109 51.242,110 1.568,111 0.115,112 0.509,113 -0.594,114 0.185,115 -0.657,116 -1.682,117 -1.988,118 -2.985,119 0.932,120 4504,121 8507,122 27.011,123 3.536,124 3.556,125 3.446,126 3.281,127 3.312,128 3.32,129 3.375,130 3.164,131 3.03,132 3.044,133 3.202,134 3.258,135 3.053,136 3.003,137 3.001,138 3.136,139 3.201,140 2.889,141 2.735,142 0.201,143 0.349,144 0.2,145 0.159,146 0.16,147 0.157,148 1.432,149 1.398,150 1.707,151 0.77,152 1.694,153 1.254,154 1.185,155 1.576,156 0.668,157 1.585,158 1.173,159 1.115,160 1.395,161 26.513,162 66.423,163 142.695,164 199.359,165 203.359,166 207.359,167 215.359,168 73.605,169 45.006,170 69,171 76,172 163.057,173 305.74,174 389.618,175 17.414,176 17.414,177 13.821,178 10.671,179 6.972,180 9.813,181 6.667,182 5.484,183 10.671,184 7.195,185 70.309,186 21.834,187 2.807,188 8.391,189 1.319,190 0.453,191 0.387,192 1.441,193 3.013,194 3.621,195 3.169,196 0.453,197 3.44,198 3.613,199 5.721,200 4.778,201 3.915,202 3.749,203 3.409,204 5.989,205 9.989,206 4.39,207 5.379,208 21.876,209 8.384,210 1.004,211 7.851,212 9.72,213 0.845,214 7.176,215 10.921,216 0.991,217 54,218 2.408,219 2.175,220 2.063,221 1.036,222 2.344,223 1.79,224 1.593,225 0.657,226 0.692,227 0.815,228 0.408,229 0.109,230 -0.025,231 -0.303,232 18.428,233 0.311,234 0.193,235 0.151,236 1.664,237 3.219,238 3.219,239 24,240 46,241 22,242 2.386,243 3.332,244 12.56,245 27,246 0.657,247 2.344,248 2.408,249 39.059,250 39.801,251 4.063,252 1.696,253 1.616,254 1.538,255 1.107,256 3.892,257 10.368,258 10.368,259 429.93,260 559.65,261 402,262 29.504,263 10.637,264 0.256,265 0.317,266 0.235,268 -1.243,269 -0.001,270 31.068,271 0.256,272 14.216,273 5.748,274 0.265,275 5.061,276 5,277 3.107,278 0.04,279 -0.133,280 1,281 1,282 1,283 1.024,284 3.003,285 1.22,286 6.206,287 46.629,288 16.403,289 1.472,290 1,291 2,292 4.519,293 0.005,294 0.058,295 0.071,296 1,297 4.592,298 4}
{0 CHEMBL1938627,1 82.651,2 3.974,3 4.059,4 3.314,5 5.074,6 3.344,7 4.892,8 6.067,9 3.749,10 3.652,11 4.656,12 4.906,13 3.184,14 3.46,15 5.666,16 3.326,17 0.578,18 0.849,19 6.751,20 29.059,21 0.773,22 27.092,23 6.608,24 10.166,25 3.23,26 726,27 15.433,28 15.433,29 15.433,30 15.433,31 15.433,32 14.926,33 8.431,34 15.782,35 11.997,36 11.997,37 11.997,38 11.997,39 11.997,40 3.662,41 12.484,42 3.878,43 401,44 4.062,45 201,46 1.974,47 1.04,48 0.95,49 1.575,50 1.587,51 0.596,52 1.308,53 0.597,54 1.241,55 1.035,56 0.127,57 0.136,58 0.205,59 0.113,60 1.039,61 0.878,62 -0.026,63 -0.028,64 -0.046,65 -0.023,66 0.577,67 0.384,68 -0.594,69 -0.616,70 -1.897,71 -0.575,72 0.46,73 0.273,74 -2.283,75 -1.058,76 10.667,77 27.318,78 30.133,79 6.62,80 0.033,81 4647,82 15632,83 70.039,84 4.824,85 4.551,86 876.524,87 7.904,88 9792.69,89 268.078,90 4.433,91 110.73,92 18.938,93 5.076,94 344.4,95 48,96 24,97 5.424,98 9.015,99 3.905,100 16.44,101 62,102 398.796,103 3.197,104 108.039,105 19.185,106 6.999,107 487.499,108 49.222,109 54.658,110 1.587,111 0.127,112 0.597,113 -0.026,114 0.205,115 -0.594,116 -0.046,117 -1.897,118 -2.283,119 1.04,120 4975,121 9187,122 28.773,123 3.54,124 3.56,125 3.45,126 3.283,127 3.314,128 3.339,129 3.384,130 3.21,131 3.059,132 3.08,133 3.288,134 3.346,135 3.105,136 3.01,137 3.015,138 3.182,139 3.246,140 2.967,141 2.772,142 0.193,143 0.335,144 0.192,145 0.152,146 0.154,147 0.151,148 1.435,149 1.402,150 1.716,151 0.774,152 1.701,153 1.26,154 1.201,155 1.579,156 0.669,157 1.587,158 1.227,159 1.16,160 1.436,161 28.04,162 70.039,163 139.672,164 204.529,165 211.284,166 223.549,167 231.549,168 72.808,169 48.012,170 73,171 80,172 172.649,173 323.04,174 413.023,175 18.121,176 18.121,177 14.782,178 11.209,179 7.332,180 10.265,181 6.972,182 5.769,183 11.209,184 7.58,185 74.075,186 22.6,187 2.813,188 8.375,189 1.404,190 0.504,191 0.446,192 1.45,193 3.016,194 4.168,195 3.176,196 0.504,197 3.486,198 3.655,199 5.734,200 4.803,201 4.009,202 3.897,203 3.583,204 6.055,205 10.884,206 4.681,207 5.864,208 24.047,209 8.926,210 1.057,211 8.292,212 10.363,213 1.024,214 8.616,215 12.897,216 1.049,217 56,218 2.412,219 2.284,220 2.154,221 1.158,222 2.595,223 1.79,224 1.635,225 0.678,226 0.718,227 1.001,228 0.753,229 0.362,230 0.089,231 -0.206,232 19.33,233 0.405,234 0.193,235 0.151,236 1.678,237 3.258,238 3.258,239 25,240 49,241 24,242 2.542,243 3.367,244 13.047,245 28,246 0.678,247 2.595,248 2.412,249 40.134,250 40.778,251 4.057,252 1.699,253 1.616,254 1.578,255 1.149,256 3.932,257 10.559,258 10.559,259 440.816,260 575.91,261 414,262 35.176,263 11.085,264 0.447,265 0.448,266 0.38,267 0.094,268 -1.139,269 -0.025,270 31.068,271 0.447,272 14.909,273 5.957,274 0.259,275 5.595,276 6,277 3.34,278 0.037,279 -0.055,280 1,281 1,282 1,283 1.026,284 3.022,285 0.94,286 6.178,287 43.753,288 16.97,289 1.547,290 1,291 2,292 4.402,293 0.005,294 0.056,295 0.067,296 1,297 4.592,298 4}
{0 CHEMBL1938629,1 53.512,2 3.509,3 3.586,4 2.865,5 4.758,6 2.904,7 4.401,8 5.818,9 2.576,10 2.545,11 3.408,12 3.616,13 2.096,14 2.174,15 4.914,16 2.108,17 0.357,18 0.521,19 4.176,20 16.38,21 0.197,22 7.839,23 1.644,24 2.465,25 2.852,26 262,27 10.129,28 10.129,29 10.129,30 10.129,31 10.129,32 9.623,33 5.823,34 10.427,35 7.736,36 7.736,37 7.736,38 7.736,39 7.736,40 2.632,41 8.115,42 3.464,43 196,44 2.915,45 103,46 1.226,47 0.285,48 0.26,49 0.859,50 -0.092,51 -0.047,52 0.055,53 -2.16,55 -0.23,56 -1.232,57 -1.342,58 -3.085,59 -1.143,60 -0.34,61 -0.465,62 -1.351,63 -1.577,64 -3.544,65 -1.213,66 -0.424,67 -0.556,68 -1.504,69 -1.661,70 -4.271,71 -1.42,72 -0.642,73 -0.815,74 -5.591,75 -1.763,76 7,77 12.913,78 20,79 4.121,81 1522,82 6625,83 45.175,84 4.523,85 3.967,86 342.347,87 6.706,88 2970.89,89 147.207,90 3.858,91 63.868,92 10.125,93 4.162,94 230.24,95 30,96 16,97 3.694,98 5.994,99 2.6,100 10.501,101 49.5,102 298.91,103 2.628,104 64,105 13.002,106 5.32,107 348.197,108 31.149,109 34.163,110 -0.092,111 -1.232,112 -2.16,113 -1.351,114 -3.085,115 -1.504,116 -3.544,117 -4.271,118 -5.591,119 0.285,120 1739,121 3655,122 18.057,123 3.318,124 3.36,125 3.19,126 3.066,127 3.078,128 3.236,129 3.282,130 3.1,131 2.994,132 3.017,133 2.963,134 3.014,135 2.775,136 2.703,137 2.702,138 2.765,139 2.823,140 2.456,141 2.173,142 0.272,143 0.416,144 0.258,145 0.197,146 0.227,147 0.193,148 1.239,149 1.185,150 1.55,151 0.667,152 1.553,153 1.182,154 1.13,155 1.445,156 0.583,157 1.454,158 0.903,159 0.843,160 1.043,161 17.976,162 45.175,163 101.153,164 131.697,165 135.697,166 135.697,167 135.697,168 51.553,169 34.344,170 39,171 38,172 114.496,173 214.02,174 271.13,175 12.293,176 12.293,177 9.044,178 7.468,179 4.602,180 6.911,181 4.464,182 3.676,183 7.468,184 4.742,185 49.144,186 15.939,187 2.275,188 6.438,189 0.112,190 -0.857,191 -0.781,192 0.319,193 2.727,194 3.203,195 2.853,196 -0.857,197 3.039,198 3.191,199 5.333,200 4.281,201 3.154,202 2.968,203 2.651,204 5.353,205 6.217,206 2.859,207 3.348,208 12.774,209 5.248,210 0.608,211 4.857,212 6.167,213 0.308,214 2.552,215 3.924,216 0.419,217 38,218 1.123,219 1.548,220 1.367,221 0.337,222 0.641,223 1.044,224 0.844,225 -0.053,226 -0.057,227 -0.254,228 -0.658,229 -0.921,230 -1.315,231 -1.376,232 12.045,233 0.181,236 1.556,237 2.833,238 2.833,239 16,240 30,241 14,242 1.501,243 2.996,244 8.095,245 19,246 -0.053,247 0.641,248 1.123,249 25.126,250 26.624,251 3.614,252 1.579,253 1.469,254 1.19,255 0.668,256 3.497,257 6.713,258 6.713,259 307.725,260 382.11,261 284,262 13.153,263 6.817,264 -1,265 -1.276,266 -1.086,267 -0.999,268 -2,269 -0.113,270 13.418,271 -1,272 9.364,273 3.472,274 0.327,275 4.323,276 4,277 2.969,278 0.033,279 0.019,280 1,281 0.99,282 1,283 0.772,284 2.541,285 1.115,286 5.547,287 34.96,288 11.105,289 1.196,290 1,292 4.523,294 0.06,295 0.063,296 1,297 4.592,298 4}
{0 CHEMBL1938630,1 78.124,2 3.788,3 3.869,4 3.261,5 4.99,6 3.27,7 4.735,8 5.993,9 3.535,10 3.49,11 4.373,12 4.574,13 3.286,14 3.366,15 5.711,16 3.301,17 0.498,18 0.777,19 6.363,20 21.933,21 0.724,22 19.025,23 6.052,24 7.853,25 3.146,26 688,27 14.397,28 14.397,29 14.397,30 14.397,31 14.397,32 13.14,33 8.589,34 14.635,35 11.292,36 11.292,37 11.292,38 11.292,39 11.292,40 4.085,41 11.678,42 3.803,43 415,44 3.162,45 204,46 2,47 1,48 1,49 1.946,50 2.136,51 0.924,52 1.227,53 0.649,54 1.253,55 1.031,56 0.104,57 0.121,58 0.246,59 0.096,60 0.75,61 0.421,62 -0.549,63 -0.638,64 -1.306,65 -0.528,66 0.529,67 0.106,68 -0.894,69 -1.04,70 -2,71 -0.834,72 0.5,73 0.342,74 -2.347,75 -1.086,76 10,77 17.796,78 25.4,79 5.249,80 0.066,81 4575,82 15573,83 58.309,84 4.903,85 4.427,86 774.852,87 7.619,88 8654.94,89 212.877,90 4.365,91 101.532,92 18.545,93 5.631,94 306.34,95 40,96 22,97 4.944,98 8.255,99 3.607,100 14.921,101 60.667,102 345.994,103 3.368,104 94.107,105 16.525,106 7.428,107 439.557,108 40.916,109 44.993,110 2.136,111 0.104,112 0.649,113 -0.549,114 0.246,115 -0.894,116 -1.306,117 -2,118 -2.347,119 1,120 4693,121 8735,122 25.58,123 3.558,124 3.573,125 3.471,126 3.293,127 3.327,128 3.291,129 3.321,130 3.189,131 3.08,132 3.092,133 3.235,134 3.278,135 3.102,136 3.028,137 3.037,138 3.003,139 3.038,140 2.819,141 2.57,142 0.189,143 0.29,144 0.18,145 0.137,146 0.158,147 0.134,148 1.445,149 1.415,150 1.731,151 0.772,152 1.71,153 1.228,154 1.185,155 1.473,156 0.667,157 1.475,158 1.181,159 1.136,160 1.201,161 25.03,162 58.309,163 142.538,164 177.758,165 193.367,166 196.122,167 196.122,168 61.468,169 42.133,170 72,171 72,172 155.874,173 286.64,174 372.093,175 16.113,176 16.113,177 12.138,178 10.486,179 6.755,180 9.956,181 6.602,182 5.43,183 10.486,184 6.887,185 67.042,186 21.78,187 2.687,188 9.273,189 1.538,190 0.635,191 0.564,192 1.625,193 3.205,194 4.005,195 3.354,196 0.635,197 3.34,198 3.608,199 5.553,200 4.591,201 3.55,202 3.569,203 3.525,204 5.854,205 7.96,206 4.072,207 4.602,208 15.504,209 7.473,210 0.941,211 7.708,212 9.313,213 0.828,214 6.9,215 8.853,216 0.61,217 50,218 2.352,219 2.5,220 1.669,221 1.5,222 2.45,223 2.273,224 1.367,225 1,226 1.149,227 0.876,228 0.375,229 -0.039,230 -0.253,231 -0.46,232 19.264,233 0.408,234 0.144,235 0.111,236 1.647,237 3.178,238 3.178,239 23,240 41,241 18,242 2.154,243 3.401,244 11.881,245 29,246 1,247 2.45,248 2.352,249 35.753,250 41.195,251 3.921,252 1.702,253 1.491,254 1.441,255 0.941,256 3.85,257 9.386,258 9.386,259 374.803,260 479.14,261 348,262 21.098,263 9.329,264 0.288,265 0.337,266 0.261,268 -1.351,269 -0.06,270 18.01,271 0.288,272 14.622,273 5.033,274 0.262,275 5.58,276 6,277 4.326,278 0.027,279 -0.012,280 1,281 1,282 1,283 1.125,284 2.88,285 1.063,286 5.733,287 39.44,288 12.881,289 1.439,290 2,291 5,292 4.834,293 0.008,294 0.043,295 0.052,296 2,297 9.185,298 4}
{0 CHEMBL1938633,1 107.263,2 4.158,3 4.245,4 3.584,5 5.249,6 3.594,7 5.11,8 6.206,9 4.192,10 4.125,11 5.073,12 5.281,13 3.998,14 4.096,15 6.125,16 4.027,17 0.729,18 1.128,19 9.141,20 34.48,21 1.457,22 38.775,23 12.211,24 16.418,25 3.441,26 1488,27 19.7,28 19.7,29 19.7,30 19.7,31 19.7,32 18.443,33 11.197,34 19.99,35 15.552,36 15.552,37 15.552,38 15.552,39 15.552,40 5.114,41 16.046,42 4.115,43 594,44 4.243,45 288,46 2.971,47 2.008,48 1.92,49 2.493,50 3.225,51 1.485,52 1.976,53 2.136,54 1.839,55 1.596,56 0.691,57 0.749,58 1.625,59 0.613,60 1.79,61 1.486,62 0.575,63 0.641,64 1.337,65 0.515,66 1.472,67 1.313,68 0.451,69 0.453,70 0.627,71 0.384,72 1.403,73 1.123,74 0.164,75 0.081,76 13.667,77 33.4,78 35.533,79 7.748,80 0.182,81 9756,82 28956,83 83.049,84 5.138,85 4.872,86 1487.68,87 8.557,88 20227.9,89 339.763,90 4.792,91 151.081,92 29.467,93 6.126,94 420.5,95 58,96 30,97 6.674,98 11.27,99 4.906,100 20.86,101 73.167,102 445.88,103 3.834,104 143.207,105 22.756,106 9.062,107 578.86,108 58.989,109 65.488,110 3.225,111 0.691,112 2.136,113 0.575,114 1.625,115 0.451,116 1.337,117 0.627,118 0.164,119 2.008,120 9817,121 17019,122 36.296,123 3.707,124 3.723,125 3.633,126 3.516,127 3.539,128 3.539,129 3.559,130 3.449,131 3.283,132 3.315,133 3.328,134 3.377,135 3.207,136 3.08,137 3.096,138 3.271,139 3.312,140 3.021,141 2.868,142 0.15,143 0.262,144 0.15,145 0.119,146 0.12,147 0.118,148 1.628,149 1.605,150 1.848,151 1.025,152 1.834,153 1.434,154 1.4,155 1.708,156 0.774,157 1.695,158 1.257,159 1.199,160 1.467,161 35.094,162 83.049,163 190.926,164 267.624,165 283.234,166 289.988,167 297.988,168 81.804,169 54.757,170 108,171 120,172 214.027,173 395.66,174 513.987,175 21.941,176 21.941,177 17.876,178 14.226,179 9.485,180 13.31,181 9.11,182 7.523,183 14.226,184 9.725,185 91.974,186 27.727,187 3.024,188 9.6,189 2,190 1.035,191 1,192 2.3,193 3.225,194 4.282,195 3.42,196 1.035,197 3.689,198 3.936,199 5.886,200 4.998,201 4.197,202 4.191,203 4.104,204 6.289,205 12.636,206 5.986,207 7.193,208 27.031,209 11.301,210 1.381,211 11.057,212 13.275,213 1.612,214 13.483,215 18.095,216 1.108,217 68,218 2.586,219 3.203,220 2.573,221 2.229,222 5.098,223 2.917,224 2.14,225 1.505,226 2.073,227 1.326,228 1.236,229 1.001,230 1,231 0.77,232 27.674,233 0.722,234 0.514,235 0.398,236 1.738,237 3.497,238 3.497,239 32,240 60,241 28,242 3.194,243 3.664,244 16.833,245 38,246 1.505,247 5.098,248 2.586,249 50.622,250 55.39,251 4.258,252 1.824,253 1.696,254 1.616,255 1.217,256 4.174,257 13.232,258 13.232,259 507.894,260 672.94,261 478,262 43.468,263 13.597,264 1,265 1.18,266 0.953,267 0.981,268 0.095,269 0.013,270 35.66,271 1,272 20.167,273 7.518,274 0.223,275 6.874,276 8,277 4.572,278 0.032,279 -0.029,280 1,281 1,282 1,283 1.129,284 3.111,285 0.942,286 6.281,287 47.668,288 18.609,289 1.585,290 2,291 12,292 4.883,293 0.007,294 0.046,295 0.059,296 2,297 9.185,298 4}
{0 CHEMBL1938634,1 123.714,2 4.26,3 4.346,4 3.733,5 5.349,6 3.736,7 5.216,8 6.295,9 4.281,10 4.216,11 5.146,12 5.345,13 4.146,14 4.235,15 6.19,16 4.172,17 0.811,18 1.3,19 10.621,20 37.063,21 1.659,22 40.89,23 13.901,24 17.949,25 3.561,26 2212,27 22.51,28 22.51,29 22.51,30 22.51,31 22.51,32 20.737,33 12.69,34 22.8,35 18.024,36 18.024,37 18.024,38 18.024,39 18.024,40 5.814,41 18.518,42 4.25,43 815,44 4.359,45 384,46 3.122,47 2.132,48 2.08,49 2.959,50 5.098,51 1.913,52 2.414,53 3.045,54 2.331,55 2.001,56 1.066,57 1.227,58 2.785,59 0.976,60 2.181,61 1.736,62 0.761,63 1.03,64 1.759,65 0.735,66 1.842,67 1.582,68 0.666,69 0.743,70 1.58,71 0.6,72 1.79,73 1.482,74 0.63,75 0.384,76 15.667,77 37.764,78 38.933,79 8.508,80 0.33,81 15017,82 42085,83 90.582,84 5.441,85 5.056,86 2035.12,87 8.907,88 30445,89 384,90 4.983,91 179.584,92 35.294,93 6.926,94 470.56,95 64,96 34,97 7.451,98 12.764,99 5.617,100 23.823,101 80.5,102 469.422,103 4.208,104 172.974,105 24.676,106 9.665,107 626.501,108 64.872,109 71.903,110 5.098,111 1.066,112 3.045,113 0.761,114 2.785,115 0.666,116 1.759,117 1.58,118 0.63,119 2.132,120 14578,121 24527,122 41.057,123 3.709,124 3.725,125 3.635,126 3.517,127 3.54,128 3.564,129 3.59,130 3.473,131 3.449,132 3.444,133 3.512,134 3.541,135 3.421,136 3.281,137 3.311,138 3.32,139 3.374,140 3.058,141 3.02,142 0.13,143 0.226,144 0.13,145 0.103,146 0.117,147 0.102,148 1.63,149 1.607,150 1.851,151 1.027,152 1.837,153 1.541,154 1.506,155 1.722,156 0.853,157 1.711,158 1.43,159 1.396,160 1.575,161 39.62,162 90.582,163 216.631,164 301.819,165 327.471,166 336.226,167 348.226,168 83.435,169 56.538,170 136,171 156,172 239.149,173 436.32,174 575.282,175 24.51,176 24.51,177 20.031,178 16.193,179 10.889,180 15.277,181 10.479,182 8.639,183 16.193,184 11.13,185 103.772,186 30.97,187 3.081,188 11.294,189 2.618,190 1.618,191 1.618,192 2.899,193 3.438,194 4.491,195 3.628,196 1.618,197 3.811,198 4.107,199 5.975,200 5.104,201 4.287,202 4.269,203 4.195,204 6.343,205 13.512,206 6.699,207 7.913,208 28.804,209 12.735,210 1.616,211 13.065,212 15.226,213 1.796,214 15.018,215 19.481,216 1.05,217 76,218 2.722,219 3.357,220 2.625,221 2.427,222 6.405,223 3.195,224 2.5,225 1.993,226 2.412,227 1.618,228 1.468,229 1.351,230 1.239,231 1.06,232 33.765,233 0.79,234 0.587,235 0.514,236 1.767,237 3.638,238 3.638,239 37,240 67,241 30,242 3.59,243 3.839,244 19.624,245 45.5,246 1.993,247 6.405,248 2.722,249 58.879,250 67.3,251 4.314,252 1.826,253 1.719,254 1.689,255 1.254,256 4.317,257 15.212,258 15.212,259 560.379,260 751.8,261 528,262 46.59,263 15.241,264 1.417,265 2.088,266 1.413,267 1.314,268 0.453,269 0.025,270 35.66,271 1.417,272 23.75,273 8.714,274 0.205,275 7.015,276 8,277 4.739,278 0.031,279 -0.031,280 0.83,281 0.98,282 0.88,283 1.275,284 3.17,285 0.967,286 6.354,287 49.374,288 20.398,289 1.665,290 2,291 15,292 5.117,293 0.008,294 0.044,295 0.059,296 2,297 9.185,298 4.11}
{0 CHEMBL1938635,1 101.769,2 4.141,3 4.236,4 3.52,5 5.205,6 3.524,7 5.075,8 6.172,9 4.13,10 4.044,11 5.081,12 5.312,13 3.82,14 4.014,15 6.065,16 3.915,17 0.71,18 1.053,19 8.537,20 34.996,21 1.331,22 39.968,23 11.221,24 16.241,25 3.375,26 1168,27 17.839,28 17.839,29 17.839,30 17.839,31 17.839,32 16.943,33 10.031,34 18.146,35 14.052,36 14.052,37 14.052,38 14.052,39 14.052,40 4.542,41 14.564,42 4.029,43 500,44 4.637,45 252,46 2.971,47 2.008,48 1.92,49 2.141,50 2.951,51 1.106,52 1.55,53 1.551,54 1.576,55 1.319,56 0.453,57 0.459,58 0.71,59 0.386,60 1.44,61 1.207,62 0.264,63 0.318,64 0.529,65 0.245,66 1.15,67 1.007,68 0.117,69 0.12,70 0.189,71 0.103,72 0.877,73 0.578,74 -1.917,75 -0.575,76 12.667,77 34.947,78 34.733,79 7.968,80 0.132,81 7327,82 21659,83 82.118,84 4.974,85 4.77,86 1264.92,87 8.357,88 16345.9,89 339.763,90 4.663,91 137.582,92 27.143,93 5.83,94 398.5,95 58,96 28,97 6.257,98 10.529,99 4.491,100 19.445,101 69.167,102 469.422,103 3.561,104 132.606,105 22.882,106 8.95,107 582.148,108 58.872,109 65.903,110 2.951,111 0.453,112 1.551,113 0.264,114 0.71,115 0.117,116 0.529,117 0.189,118 -1.917,119 2.008,120 7773,121 13487,122 35.057,123 3.694,124 3.718,125 3.59,126 3.515,127 3.538,128 3.537,129 3.557,130 3.446,131 3.282,132 3.313,133 3.323,134 3.376,135 3.177,136 3.043,137 3.059,138 3.242,139 3.291,140 3.01,141 2.812,142 0.166,143 0.289,144 0.166,145 0.131,146 0.132,147 0.13,148 1.627,149 1.603,150 1.837,151 1.024,152 1.831,153 1.433,154 1.399,155 1.705,156 0.774,157 1.694,158 1.255,159 1.189,160 1.462,161 33.62,162 82.118,163 172.792,164 258.214,165 276.479,166 280.479,167 288.479,168 93.336,169 61.283,170 98,171 102,172 208.091,173 389.6,174 499.502,175 21.113,176 21.113,177 17.567,178 13.064,179 8.917,180 12.142,181 8.44,182 7.04,183 13.064,184 9.158,185 85.003,186 26.06,187 3.019,188 9,189 1.796,190 0.84,191 0.788,192 1.79,193 3.149,194 3.696,195 3.346,196 0.84,197 3.616,198 3.857,199 5.851,200 4.965,201 4.148,202 4.123,203 3.998,204 6.26,205 13.565,206 5.832,207 7.434,208 28.256,209 11.436,210 1.291,211 10.316,212 13.316,213 1.486,214 12.482,215 17.873,216 1.198,217 64,218 2.58,219 3.2,220 2.585,221 2.217,222 5.094,223 2.385,224 2.199,225 1.216,226 1.307,227 1.257,228 1.209,229 0.821,230 0.489,231 0.297,232 22.258,233 0.694,234 0.551,235 0.342,236 1.72,237 3.401,238 3.401,239 29,240 59,241 30,242 3.208,243 3.526,244 15.326,245 33,246 1.216,247 5.094,248 2.58,249 46.169,250 48.116,251 4.217,252 1.823,253 1.696,254 1.616,255 1.194,256 4.078,257 12.475,258 12.475,259 472.802,260 620.18,261 444,262 43.079,263 12.657,264 0.65,265 0.685,266 0.574,267 0.384,268 -0.616,269 0.035,270 53.311,271 0.65,272 17.394,273 7.336,274 0.24,275 7.314,276 8,277 4.79,278 0.036,279 -0.067,280 1,281 1,282 1,283 1.071,284 3.085,285 0.98,286 6.284,287 46.65,288 20.377,289 1.585,290 2,291 10,292 4.767,293 0.007,294 0.054,295 0.06,296 2,297 9.185,298 4.016}
{0 CHEMBL1938636,1 105.726,2 4.214,3 4.317,4 3.592,5 5.221,6 3.582,7 5.262,8 6.211,9 4.171,10 4.077,11 5.135,12 5.362,13 3.86,14 4.089,15 6.078,16 3.981,17 0.77,18 1.156,19 9.462,20 41.153,21 1.408,22 41.676,23 11.88,24 17.406,25 3.408,26 1394,27 18.968,28 18.968,29 18.968,30 18.968,31 18.968,32 18.462,33 11.066,34 19.276,35 14.535,36 14.535,37 14.535,38 14.535,39 14.535,40 5.015,41 15.051,42 4.067,43 603,44 4.637,45 302,46 2.781,47 1.787,48 1.774,49 2.275,50 2.849,51 1.252,52 1.58,53 1.577,54 1.725,55 1.481,56 0.547,57 0.588,58 1.058,59 0.504,60 1.458,61 1.315,62 0.451,63 0.453,64 0.625,65 0.384,66 1.381,67 1.151,68 0.192,69 0.225,70 0.38,71 0.181,72 1.128,73 0.758,74 -0.554,75 -0.288,76 13.167,77 37.793,78 36.633,79 9.188,80 0.182,81 8412,82 22397,83 87.356,84 5.239,85 4.816,86 1417.55,87 8.446,88 18868.5,89 376.569,90 4.731,91 145.255,92 30.623,93 6.251,94 414.55,95 63,96 29,97 6.674,98 10.939,99 4.649,100 20.523,101 69.5,102 516.507,103 3.716,104 140.881,105 24.13,106 10.249,107 617.883,108 63.64,109 71.734,110 2.849,111 0.547,112 1.577,113 0.451,114 1.058,115 0.192,116 0.625,117 0.38,118 -0.554,119 1.787,120 8875,121 14686,122 37.58,123 3.703,124 3.723,125 3.565,126 3.516,127 3.539,128 3.543,129 3.567,130 3.449,131 3.293,132 3.319,133 3.436,134 3.501,135 3.266,136 3.247,137 3.238,138 3.316,139 3.373,140 3.039,141 2.976,142 0.161,143 0.279,144 0.16,145 0.127,146 0.128,147 0.126,148 1.629,149 1.605,150 1.848,151 1.031,152 1.836,153 1.459,154 1.41,155 1.72,156 1.005,157 1.72,158 1.42,159 1.363,160 1.575,161 35.674,162 87.356,163 177.739,164 287.775,165 314.039,166 322.039,167 330.039,168 101.927,169 64.996,170 106,171 147,172 220.611,173 409.54,174 530.05,175 21.656,176 21.656,177 18.318,178 13.709,179 9.927,180 12.786,181 9.524,182 7.936,183 13.709,184 10.168,185 88.868,186 27.108,187 3.034,188 10.414,189 1.911,190 0.948,191 0.895,192 1.79,193 3.292,194 4.513,195 3.492,196 0.948,197 3.651,198 3.945,199 5.879,200 5.101,201 4.179,202 4.144,203 4.005,204 6.269,205 15.364,206 6.368,207 8.379,208 31.304,209 13.158,210 1.412,211 11.459,212 15.9,213 1.534,214 12.867,215 18.889,216 1.118,217 66,218 2.414,219 2.812,220 2.222,221 1.809,222 3.612,223 2.41,224 1.863,225 1.317,226 1.366,227 1.249,228 1.193,229 0.846,230 0.712,231 0.376,232 20.868,233 0.616,234 0.432,235 0.342,236 1.728,237 3.434,238 3.434,239 30,240 64,241 34,242 3.958,243 3.526,244 16.349,245 33,246 1.317,247 3.612,248 2.414,249 46.73,250 47.338,251 4.154,252 1.827,253 1.763,254 1.694,255 1.253,256 4.111,257 12.353,258 12.353,259 461.118,260 606.49,261 434,262 46.571,263 13.623,264 0.673,265 0.708,266 0.598,267 0.653,268 -0.308,269 0.053,270 54.624,271 0.673,272 18.375,273 7.653,274 0.233,275 8.528,276 11,277 5.319,278 0.03,279 -0.091,280 0.83,281 0.86,282 0.88,283 1.279,284 3.139,285 1.076,286 6.302,287 47.624,288 19.754,289 1.675,290 2,291 9,292 4.985,293 0.008,294 0.05,295 0.058,296 6,297 19.323,298 4.032}
{0 CHEMBL1938638,1 117.582,2 4.217,3 4.306,4 3.658,5 5.309,6 3.661,7 5.168,8 6.239,9 4.174,10 4.101,11 5.068,12 5.28,13 3.963,14 4.109,15 6.098,16 4.028,17 0.778,18 1.203,19 9.804,20 36.445,21 1.477,22 38.609,23 12.426,24 16.629,25 3.503,26 1950,27 21.115,28 21.115,29 21.115,30 21.115,31 21.115,32 19.675,33 12.183,34 21.422,35 16.552,36 16.552,37 16.552,38 16.552,39 16.552,40 5.588,41 17.069,42 4.178,43 752,44 4.472,45 363,46 2.986,47 2.027,48 1.93,49 2.608,50 3.426,51 1.599,52 2,53 2.328,54 2.273,55 1.906,56 0.945,57 1.11,58 2.136,59 0.89,60 1.836,61 1.568,62 0.667,63 0.717,64 1.587,65 0.589,66 1.79,67 1.41,68 0.483,69 0.593,70 1.09,71 0.44,72 1.477,73 1.41,74 0.284,75 0.131,76 14.667,77 35.35,78 37.533,79 8.16,80 0.244,81 12514,82 36169,83 87.914,84 5.28,85 4.963,86 1804.5,87 8.723,88 26230.8,89 369.16,90 4.892,91 166.747,92 35.621,93 6.92,94 446.54,95 62,96 32,97 7.174,98 12.003,99 5.173,100 22.274,101 77.167,102 469.422,103 4.075,104 156,105 24.46,106 10.174,107 621.355,108 62.872,109 69.903,110 3.426,111 0.945,112 2.328,113 0.667,114 2.136,115 0.483,116 1.587,117 1.09,118 0.284,119 2.027,120 12487,121 21360,122 39.057,123 3.71,124 3.726,125 3.635,126 3.516,127 3.54,128 3.555,129 3.58,130 3.461,131 3.381,132 3.379,133 3.489,134 3.525,135 3.38,136 3.278,137 3.305,138 3.317,139 3.373,140 3.042,141 2.999,142 0.142,143 0.246,144 0.141,145 0.112,146 0.113,147 0.111,148 1.63,149 1.607,150 1.852,151 1.026,152 1.838,153 1.502,154 1.461,155 1.725,156 0.837,157 1.714,158 1.426,159 1.39,160 1.574,161 37.62,162 87.914,163 209.833,164 295.021,165 312.631,166 319.386,167 327.386,168 88.601,169 60.855,170 127,171 158,172 230.285,173 427.62,174 553.654,175 23.355,176 23.355,177 19.031,178 15.226,179 10.161,180 14.303,181 9.773,182 8.085,183 15.226,184 10.402,185 97.974,186 29.7,187 3.045,188 11.344,189 2.305,190 1.341,191 1.283,192 2.5,193 3.427,194 4.5,195 3.638,196 1.341,197 3.742,198 4.003,199 5.933,200 5.048,201 4.225,202 4.189,203 4.067,204 6.289,205 13.502,206 6.415,207 7.738,208 28.294,209 12.117,210 1.47,211 11.846,212 14.304,213 1.615,214 13.505,215 18.064,216 1.059,217 72,218 2.595,219 3.219,220 2.535,221 2.3,222 5.099,223 3.094,224 2.255,225 1.619,226 2.206,227 1.47,228 1.269,229 1.224,230 1,231 0.86,232 30.174,233 0.628,234 0.448,235 0.408,236 1.751,237 3.555,238 3.555,239 34,240 64,241 30,242 3.431,243 3.738,244 17.826,245 41,246 1.619,247 5.099,248 2.595,249 53.198,250 58.979,251 4.299,252 1.827,253 1.719,254 1.685,255 1.253,256 4.234,257 13.939,258 13.939,259 526.799,260 699.26,261 496,262 44.115,263 14.323,264 1,265 1.5,266 1,267 1.09,268 0.169,269 0.024,270 35.66,271 1,272 21.553,273 7.868,274 0.215,275 7.777,276 9,277 5.259,278 0.03,279 -0.061,280 1,281 0.98,282 1,283 1.116,284 3.152,285 1.014,286 6.32,287 47.728,288 19.607,289 1.658,290 2,291 11,292 5.042,293 0.007,294 0.047,295 0.056,296 2,297 9.185,298 4.026}
{0 CHEMBL1938639,1 132.4,2 4.314,3 4.402,4 3.797,5 5.404,6 3.794,7 5.268,8 6.327,9 4.332,10 4.257,11 5.192,12 5.4,13 4.142,14 4.239,15 6.225,16 4.172,17 0.857,18 1.372,19 11.248,20 38.972,21 1.719,22 43.456,23 14.403,24 18.662,25 3.616,26 2694,27 23.924,28 23.924,29 23.924,30 23.924,31 23.924,32 22.006,33 13.636,34 24.214,35 19.007,36 19.007,37 19.007,38 19.007,39 19.007,40 6.264,41 19.501,42 4.305,43 985,44 4.359,45 465,46 3.129,47 2.144,48 2.084,49 2.971,50 5.098,51 1.922,52 2.192,53 2.869,54 2.5,55 2,56 1.031,57 1.5,58 2.649,59 1,60 2.5,61 2,62 1,63 1.5,64 2.275,65 1,66 2.306,67 1.978,68 1,69 1.189,70 2.136,71 0.956,72 1.856,73 1.79,74 1.399,75 0.53,76 16.667,77 39.54,78 40.933,79 8.841,80 0.289,81 18449,82 50920,83 95.342,84 5.355,85 5.136,86 2406.38,87 9.053,88 38104.9,89 413.947,90 5.07,91 195.534,92 42.213,93 7.691,94 496.6,95 68,96 36,97 7.951,98 13.497,99 5.887,100 25.237,101 84.5,102 492.964,103 4.422,104 178.117,105 26.364,106 10.731,107 670.221,108 68.756,109 76.318,110 5.098,111 1.031,112 2.869,113 1,114 2.649,115 1,116 2.275,117 2.136,118 1.399,119 2.144,120 17880,121 29851,122 43.818,123 3.764,124 3.795,125 3.685,126 3.697,127 3.689,128 3.704,129 3.721,130 3.63,131 3.515,132 3.538,133 3.537,134 3.557,135 3.448,136 3.283,137 3.314,138 3.327,139 3.377,140 3.105,141 3.026,142 0.123,143 0.215,144 0.123,145 0.098,146 0.1,147 0.097,148 1.769,149 1.74,150 1.873,151 1.029,152 1.884,153 1.628,154 1.605,155 1.839,156 1,157 1.831,158 1.434,159 1.4,160 1.576,161 42.147,162 95.342,163 228.482,164 314.889,165 343.418,166 356.173,167 364.173,168 90.225,169 61.988,170 159,171 198,172 255.406,173 468.28,174 614.95,175 25.924,176 25.924,177 21.186,178 17.193,179 11.556,180 16.277,181 11.126,182 9.193,183 17.193,184 11.796,185 109.772,186 32.818,187 3.113,188 12.917,189 2.806,190 1.809,191 1.804,192 2.651,193 3.592,194 4.503,195 3.82,196 1.809,197 3.857,198 4.163,199 6.015,200 5.149,201 4.342,202 4.314,203 4.223,204 6.379,205 14.385,206 7.108,207 8.455,208 30.081,209 13.548,210 1.703,211 13.835,212 16.283,213 1.911,214 16.043,215 20.918,216 1.071,217 80,218 2.723,219 3.358,220 2.673,221 2.546,222 6.464,223 3.272,224 2.557,225 2.008,226 2.412,227 1.627,228 1.41,229 1.244,230 1.199,231 1.001,232 36.787,233 0.762,234 0.579,235 0.454,236 1.778,237 3.689,238 3.689,239 39,240 71,241 32,242 3.813,243 3.892,244 20.624,245 48,246 2.008,247 6.464,248 2.723,249 61.499,250 70.439,251 4.405,252 1.91,253 1.823,254 1.696,255 1.256,256 4.369,257 15.907,258 15.907,259 579.41,260 777.7,261 546,262 48.533,263 16.068,264 1.207,265 1.717,266 1.187,267 1.503,268 0.651,269 0.034,270 35.66,271 1.207,272 25.137,273 9.096,274 0.199,275 7.859,276 9,277 5.377,278 0.03,279 -0.028,280 0.83,281 0.95,282 0.88,283 1.212,284 3.207,285 1,286 6.403,287 49.544,288 21.351,289 1.694,290 2,291 14,292 5.05,293 0.007,294 0.042,295 0.051,296 2,297 9.185,298 4.178}
{0 CHEMBL1938640,1 124.13,2 4.371,3 4.485,4 3.769,5 5.328,6 3.739,7 5.478,8 6.305,9 4.342,10 4.221,11 5.318,12 5.565,13 3.973,14 4.258,15 6.195,16 4.128,17 0.923,18 1.405,19 11.672,20 49.153,21 1.686,22 49.141,23 14.314,24 21.232,25 3.532,26 2340,27 21.797,28 21.797,29 21.797,30 21.797,31 21.797,32 21.29,33 13.066,34 22.105,35 16.535,36 16.535,37 16.535,38 16.535,39 16.535,40 6.015,41 17.051,42 4.195,43 919,44 5.05,45 456,46 2.906,47 1.909,48 1.899,49 2.671,50 3.393,51 1.664,52 1.983,53 2.297,54 1.881,55 1.774,56 0.805,57 0.838,58 1.642,59 0.77,60 1.79,61 1.557,62 0.654,63 0.687,64 1.496,65 0.58,66 1.618,67 1.378,68 0.456,69 0.48,70 0.856,71 0.405,72 1.446,73 1.295,74 0.322,75 0.157,76 15.167,77 45.962,78 41.833,79 11.188,80 0.19,81 13560,82 31313,83 100.588,84 5.448,85 4.998,86 2043.49,87 8.784,88 31146.3,89 467.161,90 4.933,91 176.191,92 44.072,93 7.811,94 470.67,95 75,96 33,97 7.674,98 12.459,99 5.228,100 23.788,101 75.5,102 610.675,103 4.181,104 164.465,105 28.097,106 13.081,107 722.19,108 75.174,109 85.394,110 3.393,111 0.805,112 2.297,113 0.654,114 1.642,115 0.456,116 1.496,117 0.856,118 0.322,119 1.909,120 14095,121 21866,122 44.625,123 3.711,124 3.734,125 3.627,126 3.521,127 3.541,128 3.643,129 3.702,130 3.481,131 3.499,132 3.483,133 3.536,134 3.56,135 3.432,136 3.287,137 3.314,138 3.427,139 3.497,140 3.237,141 3.043,142 0.142,143 0.246,144 0.141,145 0.112,146 0.113,147 0.111,148 1.668,149 1.614,150 1.865,151 1.254,152 1.885,153 1.626,154 1.592,155 1.832,156 1.039,157 1.832,158 1.453,159 1.406,160 1.646,161 41.781,162 100.588,163 199.137,164 324.858,165 361.613,166 386.632,167 408.632,168 126.539,169 80.849,170 144,171 231,172 258.98,173 478.74,174 623.671,175 24.485,176 24.485,177 21.146,178 15.709,179 11.927,180 14.786,181 11.485,182 9.603,183 15.709,184 12.168,185 100.868,186 30.939,187 3.142,188 13.818,189 2.321,190 1.348,191 1.306,192 2.175,193 3.621,194 4.741,195 3.87,196 1.348,197 3.765,198 4.133,199 5.977,200 5.286,201 4.259,202 4.227,203 4.105,204 6.361,205 18.764,206 7.722,207 10.365,208 36.89,209 16.481,210 1.718,211 14.213,212 20.305,213 1.835,214 15.547,215 23.048,216 1.07,217 74,218 2.414,219 2.919,220 2.222,221 1.919,222 3.836,223 2.701,224 1.926,225 1.679,226 1.697,227 1.471,228 1.255,229 1.213,230 1,231 0.795,232 21.78,233 0.616,234 0.432,235 0.342,236 1.755,237 3.555,238 3.555,239 34,240 76,241 42,242 4.958,243 3.638,244 19.016,245 37,246 1.679,247 3.836,248 2.414,249 51.766,250 52.418,251 4.215,252 1.938,253 1.825,254 1.756,255 1.422,256 4.234,257 13.768,258 13.768,259 477.765,260 629.53,261 450,262 53.628,263 15.623,264 1.024,265 1.094,266 0.966,267 1.131,268 0.188,269 0.082,270 64.762,271 1.024,272 21.148,273 9.067,274 0.217,275 11.137,276 15,277 7.172,278 0.027,279 -0.067,280 0.67,281 0.83,282 0.75,283 1.293,284 3.248,285 1.06,286 6.388,287 48.787,288 21.931,289 1.71,290 2,291 10,292 4.822,293 0.006,294 0.047,295 0.054,296 10,297 29.461,298 4.48}
{0 CHEMBL1938641,1 94.991,2 4.084,3 4.202,4 3.509,5 5.092,6 3.466,7 5.235,8 6.114,9 3.81,10 3.673,11 4.8,12 5.066,13 3.368,14 3.705,15 5.809,16 3.555,17 0.702,18 1.076,19 9.113,20 35.604,21 0.975,22 28.91,23 8.331,24 12.54,25 3.265,26 1144,27 16.493,28 16.493,29 16.493,30 16.493,31 16.493,32 15.987,33 10.457,34 16.749,35 12.274,36 12.274,37 12.274,38 12.274,39 12.274,40 4.986,41 12.682,42 3.911,43 650,44 4.183,45 332,46 2.32,47 1.346,48 1.306,49 1.963,50 2.183,51 0.948,52 1.386,53 0.878,54 1.467,55 1.227,56 0.287,57 0.337,58 0.642,59 0.261,60 1.206,61 1.093,62 0.144,63 0.156,64 0.284,65 0.136,66 0.815,67 0.739,68 -0.228,69 -0.233,70 -0.425,71 -0.22,72 0.562,73 0.387,74 -2,75 -0.859,76 11.5,77 28.711,78 31.7,79 8.689,80 0.103,81 7051,82 17338,83 76.254,84 5.245,85 4.603,86 1151.85,87 7.942,88 15264,89 332.475,90 4.553,91 125.204,92 30.272,93 7.555,94 356.51,95 57,96 25,97 5.944,98 9.444,99 3.93,100 17.85,101 63,102 510.789,103 3.747,104 116.096,105 21.977,106 12.315,107 582.887,108 57.101,109 64.9,110 2.183,111 0.287,112 0.878,113 0.144,114 0.642,115 -0.228,116 0.284,117 -0.425,118 -2,119 1.346,120 7502,121 12149,122 33.909,123 3.644,124 3.71,125 3.486,126 3.503,127 3.484,128 3.556,129 3.574,130 3.45,131 3.295,132 3.327,133 3.428,134 3.499,135 3.245,136 3.254,137 3.237,138 3.246,139 3.294,140 3.055,141 2.829,142 0.174,143 0.266,144 0.165,145 0.126,146 0.145,147 0.123,148 1.665,149 1.599,150 1.842,151 1.226,152 1.877,153 1.456,154 1.417,155 1.732,156 1.033,157 1.716,158 1.43,159 1.365,160 1.451,161 31.718,162 76.254,163 159.593,164 235.455,165 263.945,166 284.965,167 298.965,168 112.184,169 72.28,170 108,171 143,172 200.827,173 369.72,174 481.777,175 18.656,176 18.656,177 15.408,178 11.968,179 9.198,180 11.431,181 8.977,182 7.509,183 11.968,184 9.33,185 75.936,186 25.245,187 3.036,188 13.28,189 1.762,190 0.793,191 0.758,192 1.691,193 3.642,194 4.404,195 3.839,196 0.793,197 3.447,198 3.871,199 5.678,200 4.997,201 3.666,202 3.634,203 3.548,204 5.947,205 14.002,206 5.908,207 7.899,208 25.872,209 12.867,210 1.268,211 10.755,212 15.824,213 1.08,214 9.227,215 13.847,216 0.61,217 56,218 1.92,219 2.403,220 1.761,221 1.376,222 2.726,223 2.157,224 1.498,225 1,226 1.072,227 0.932,228 0.512,229 0.357,230 0.008,231 -0.252,232 14.195,233 0.318,234 0.156,235 0.126,236 1.675,237 3.258,238 3.258,239 25,240 57,241 32,242 3.918,243 3.367,244 14.064,245 28,246 1,247 2.726,248 1.92,249 36.907,250 38.24,251 4.057,252 1.93,253 1.756,254 1.7,255 1.209,256 3.932,257 9.922,258 9.922,259 344.674,260 435.73,261 320,262 31.695,263 11.355,264 0.449,265 0.47,266 0.415,267 0.104,268 -0.96,269 0.018,270 47.111,271 0.449,272 15.603,273 6.582,274 0.253,275 10.825,276 13,277 8.236,278 0.021,279 -0.006,280 0.83,281 0.86,282 0.88,283 1.274,284 3.111,285 1.013,286 5.91,287 40.402,288 16.143,289 1.684,290 2,291 4,292 4.631,293 0.007,294 0.044,295 0.044,296 10,297 29.461,298 4.423}
{0 CHEMBL359933,1 102.036,2 4.091,3 4.215,4 3.516,5 5.289,6 3.478,7 5.171,8 6.19,9 4.042,10 3.957,11 5.034,12 5.266,13 4.071,14 4.019,15 6.43,16 3.939,17 0.763,18 1.132,19 9.017,20 41.408,21 1.331,22 40.806,23 10.457,24 15.399,25 3.373,26 1640,27 17.543,28 17.543,29 17.543,30 17.543,31 17.543,32 16.662,33 10.751,34 17.762,35 13.233,36 13.233,37 13.233,38 13.233,39 13.233,40 5.026,41 13.57,42 3.998,43 548,44 5.831,45 294,46 2.394,47 1.429,48 1.356,49 2.208,50 2.73,51 1.182,52 1.426,53 1.101,54 1.537,55 1.367,56 0.387,57 0.427,58 0.836,59 0.373,60 1.437,61 1.134,62 0.159,63 0.185,64 0.34,65 0.152,66 0.829,67 0.66,68 -0.355,69 -0.368,70 -0.64,71 -0.358,72 0.658,73 0.541,74 -2,75 -0.888,76 12.867,77 32.755,78 35.133,79 8.652,80 0.264,81 7843,82 31334,83 97.7,84 5.385,85 4.775,86 1362.07,87 8.348,88 19468.4,89 332.475,90 4.68,91 142.591,92 30.898,93 6.96,94 419.56,95 57,96 28,97 6.556,98 10.516,99 4.381,100 18.811,101 84.667,102 481.827,103 3.748,104 134.606,105 26.532,106 14.519,107 632.656,108 58.16,109 65.278,110 2.73,111 0.387,112 1.101,113 0.159,114 0.836,115 -0.355,116 0.34,117 -0.64,118 -2,119 1.429,120 8701,121 17531,122 34.745,123 3.692,124 3.736,125 3.605,126 3.485,127 3.503,128 3.529,129 3.579,130 3.473,131 3.344,132 3.335,133 3.517,134 3.562,135 3.391,136 3.281,137 3.305,138 3.356,139 3.378,140 3.148,141 2.858,142 0.148,143 0.224,144 0.141,145 0.105,146 0.117,147 0.102,148 1.613,149 1.568,150 1.857,151 1.074,152 1.839,153 1.512,154 1.451,155 1.726,156 0.951,157 1.751,158 1.411,159 1.373,160 1.52,161 33.103,162 97.7,163 190.068,164 281.455,165 304.965,166 306.965,167 306.965,168 316.775,169 159.675,170 108,171 114,172 218.691,173 402.5,174 525.365,175 21.69,176 22.043,177 16.92,178 13.061,179 8.889,180 11.913,181 8.56,182 7.126,183 13.515,184 9.995,185 88.098,186 27.035,187 3.197,188 10.5,189 2.015,190 1.045,191 1,192 1.704,193 3.383,194 4.307,195 3.603,196 1.045,197 3.612,198 3.883,199 5.909,200 4.955,201 4.092,202 4.037,203 4.043,204 6.242,205 13.202,206 5.387,207 6.928,208 27.103,209 11.991,210 1.332,211 11.018,212 14.792,213 1.358,214 10.542,215 15.225,216 1.184,217 64.5,218 2.643,219 2.62,220 2.753,221 1.574,222 3.542,223 2.49,224 2.068,225 1.219,226 1.4,227 1.262,228 1.04,229 0.868,230 0.546,231 0.445,232 21.412,233 0.594,234 0.444,235 0.24,236 1.718,237 3.332,238 3.332,239 27,240 56,241 29,242 3.35,243 3.497,244 14.342,245 32,246 1.219,247 3.542,248 2.643,249 43.155,250 43.594,251 4.975,252 1.797,253 1.778,254 1.614,255 1.255,256 4.007,257 11.71,258 12.287,259 488.318,260 594.6,261 444,262 43.168,263 11.745,264 0.519,265 0.542,266 0.455,267 0.101,268 -1,269 0.194,270 102.247,271 0.519,272 15.72,273 7.699,274 0.252,275 13.758,276 15,277 13.382,278 0.03,279 0.124,280 0.33,281 0.58,282 0.75,283 1.211,284 3.313,285 0.796,286 6.325,287 57.645,288 22.28,289 1.669,290 2,291 7,292 5.35,293 0.011,294 0.044,295 0.039,296 7,297 84.597,298 5.076}
{0 CHEMBL369465,1 121.977,2 4.214,3 4.332,4 3.699,5 5.417,6 3.662,7 5.274,8 6.314,9 4.333,10 4.251,11 5.29,12 5.527,13 4.325,14 4.343,15 6.603,16 4.249,17 0.883,18 1.367,19 10.634,20 42.864,21 1.943,22 50.752,23 15.162,24 21.582,25 3.531,26 2356,27 20.949,28 20.949,29 20.949,30 20.949,31 20.949,32 19.418,33 12.592,34 21.177,35 16.197,36 16.197,37 16.197,38 16.197,39 16.197,40 5.962,41 16.529,42 4.178,43 723,44 5.958,45 371,46 2.808,47 1.858,48 1.751,49 2.398,50 3.536,51 1.359,52 2.199,53 2.726,54 2.447,55 2,56 1,57 1.376,58 2.225,59 1,60 2.228,61 1.912,62 0.949,63 1.1,64 2.136,65 0.889,66 1.703,67 1.391,68 0.443,69 0.492,70 1.016,71 0.406,72 1.53,73 1.43,74 0.295,75 0.128,76 15.367,77 37.28,78 39.233,79 9.219,80 0.318,81 12811,82 46499,83 107.906,84 5.414,85 5.014,86 1949.35,87 8.835,88 30817.9,89 384,90 4.93,91 175.968,92 36.915,93 7.43,94 481.63,95 64,96 33,97 7.528,98 12.4,99 5.277,100 22.354,101 94.667,102 505.369,103 4.16,104 160.465,105 28.786,106 14.811,107 701.696,108 65.043,109 72.694,110 3.536,111 1,112 2.726,113 0.949,114 2.225,115 0.443,116 2.136,117 1.016,118 0.295,119 1.858,120 13561,121 25990,122 40.506,123 3.731,124 3.773,125 3.66,126 3.596,127 3.596,128 3.7,129 3.743,130 3.614,131 3.517,132 3.518,133 3.534,134 3.567,135 3.539,136 3.327,137 3.322,138 3.39,139 3.431,140 3.22,141 2.979,142 0.125,143 0.187,144 0.118,145 0.088,146 0.108,147 0.086,148 1.719,149 1.675,150 1.88,151 1.115,152 1.901,153 1.625,154 1.583,155 1.862,156 1.055,157 1.844,158 1.43,159 1.391,160 1.549,161 38.63,162 107.906,163 238.733,164 320.126,165 341.735,166 346.49,167 346.49,168 223.136,169 113.118,170 140,171 149,172 250.477,173 457.82,174 602.924,175 24.966,176 25.319,177 19.469,178 15.506,179 10.416,180 14.386,181 10.041,182 8.339,183 15.96,184 11.522,185 102.769,186 30.747,187 3.235,188 11.242,189 2.233,190 1.238,191 1.227,192 2.5,193 3.458,194 4.453,195 3.692,196 1.238,197 3.766,198 4.08,199 6.006,200 5.072,201 4.33,202 4.275,203 4.297,204 6.399,205 14.029,206 6.191,207 7.72,208 28.449,209 13.636,210 1.675,211 13.395,212 17.289,213 1.857,214 14.118,215 18.925,216 1.195,217 74.5,218 2.755,219 3.161,220 2.978,221 2.331,222 4.593,223 2.691,224 2.214,225 1.433,226 1.688,227 1.778,228 1.438,229 1.375,230 1.04,231 1,232 30.754,233 0.785,234 0.596,235 0.366,236 1.761,237 3.526,238 3.526,239 33,240 64,241 31,242 3.628,243 3.738,244 17.505,245 41,246 1.433,247 4.593,248 2.755,249 53.113,250 57.362,251 4.976,252 1.924,253 1.787,254 1.63,255 1.349,256 4.205,257 14.041,258 14.591,259 553.667,260 689.91,261 506,262 45.873,263 13.729,264 1.194,265 1.471,266 1.177,267 1.108,268 0.158,269 0.187,270 97.178,271 1.194,272 19.997,273 9.009,274 0.224,275 12.92,276 15,277 11.442,278 0.03,279 0.136,280 0.33,281 0.58,282 0.63,283 1.21,284 3.416,285 0.7,286 6.413,287 61.855,288 24.692,289 1.675,290 2,291 11,292 5.34,293 0.008,294 0.036,295 0.035,296 5,297 79.528,298 4.496}
{0 CHEMBL405395,1 308.413,2 5.123,3 5.248,4 4.637,5 6.262,6 4.595,7 6.219,8 7.197,9 5.461,10 5.387,11 6.385,12 6.59,13 5.535,14 5.527,15 7.69,16 5.447,17 2.283,18 3.563,19 26.035,20 98.191,21 6.232,22 151.636,23 47.202,24 62.824,25 4.432,26 27277,27 53.019,28 53.019,29 53.019,30 53.019,31 53.019,32 48.675,33 30.963,34 53.734,35 42.829,36 42.829,37 42.829,38 42.829,39 42.829,40 14.696,41 43.791,42 5.109,43 3802,44 9.354,45 1841,46 3.783,47 2.792,48 2.76,49 3.741,50 8.392,51 2.721,52 3.594,53 8.072,54 3.756,55 3.459,56 2.46,57 3.028,58 7.099,59 2.455,60 3.73,61 3.393,62 2.391,63 2.938,64 6.744,65 2.39,66 3.643,67 3.195,68 2.273,69 2.865,70 6.51,71 2.166,72 3.526,73 3.453,74 5.17,75 2.061,76 39.214,77 133.97,78 95.786,79 22.516,80 1.577,81 167521,82 526278,83 274.022,84 6.654,85 6.345,86 15607.9,87 11.518,88 461568,89 1145.26,90 6.258,91 568.682,92 167.441,93 13.291,94 1209.89,95 157,96 83,97 18.097,98 32.191,99 14.992,100 57.356,101 222.917,102 1134.07,103 7.251,104 511.128,105 68.302,106 31.068,107 1623.31,108 159.134,109 178.204,110 8.392,111 2.46,112 8.072,113 2.391,114 7.099,115 2.273,116 6.744,117 6.51,118 5.17,119 2.792,120 164448,121 291805,122 101.734,123 3.963,124 3.998,125 3.952,126 3.882,127 3.867,128 3.933,129 3.966,130 3.886,131 3.839,132 3.842,133 3.848,134 3.888,135 3.849,136 3.774,137 3.7,138 3.799,139 3.847,140 3.64,141 3.722,142 0.053,143 0.088,144 0.053,145 0.041,146 0.052,147 0.041,148 1.926,149 1.896,150 2.009,151 1.255,152 2.016,153 1.788,154 1.739,155 1.977,156 1.252,157 1.981,158 1.779,159 1.733,160 1.953,161 96.544,162 274.022,163 609.388,164 838.045,165 965.303,166 1029.22,167 1044.73,168 566.412,169 204.578,170 637,171 740,172 609.71,173 1105.77,174 1479.45,175 61.398,176 62.502,177 49.435,178 38.97,179 26.786,180 35.883,181 25.691,182 21.285,183 40.789,184 30.406,185 263.176,186 62.76,187 3.749,188 22.181,189 3.651,190 2.656,191 2.636,192 3.86,193 4.321,194 6.029,195 4.586,196 2.656,197 4.749,198 5.025,199 6.933,200 6.018,201 5.392,202 5.398,203 5.434,204 7.567,205 36.066,206 15.197,207 18.68,208 69.584,209 33.635,210 4.464,211 31.723,212 42.378,213 5.926,214 43.442,215 58.724,216 3.517,217 185,218 3.543,219 4.012,220 3.663,221 3.263,222 8.73,223 3.911,224 3.629,225 2.749,226 3.177,227 3.471,228 3.203,229 3.185,230 2.821,231 2.805,232 120.362,233 2.764,234 1.926,235 1.64,236 1.97,237 4.477,238 4.477,239 87,240 161,241 74,242 8.973,243 4.7,244 47.399,245 109,246 2.749,247 8.73,248 3.543,249 141.277,250 157.799,251 7.425,252 2.011,253 2.009,254 1.941,255 1.755,256 5.165,257 37.846,258 40.063,259 1385.48,260 1773.98,261 1268,262 147.026,263 35.897,264 2.598,265 3.08,266 2.583,267 3.09,268 2.649,269 0.24,270 261.605,271 2.598,272 54.093,273 24.729,274 0.136,275 25.566,276 32,277 22.146,278 0.035,279 0.053,280 0.33,281 0.38,282 0.38,283 1.29,284 3.838,285 0.973,286 7.58,287 175.331,288 65.746,289 1.967,290 2,291 20,292 6.148,293 0.008,294 0.05,295 0.046,296 11,297 200.694,298 8.301}
{0 CHEMBL426936,1 97.538,2 4.041,3 4.163,4 3.462,5 5.261,6 3.43,7 5.103,8 6.178,9 3.906,10 3.828,11 4.883,12 5.102,13 3.971,14 3.896,15 6.318,16 3.817,17 0.724,18 1.07,19 8.455,20 39.53,21 1.159,22 35.088,23 9.397,24 13.489,25 3.339,26 1512,27 16.836,28 16.836,29 16.836,30 16.836,31 16.836,32 16.007,33 10.118,34 17.098,35 12.678,36 12.678,37 12.678,38 12.678,39 12.678,40 4.729,41 13.038,42 3.96,43 546,44 5.745,45 293,46 2.366,47 1.392,48 1.336,49 2.192,50 2.716,51 1.167,52 1.37,53 0.837,54 1.488,55 1.336,56 0.329,57 0.352,58 0.501,59 0.328,60 1.43,61 1.115,62 0.14,63 0.162,64 0.272,65 0.133,66 0.801,67 0.528,68 -0.511,69 -0.595,70 -1.213,71 -0.512,72 0.612,73 0.53,74 -2,75 -0.914,76 12.367,77 30.377,78 33.833,79 8.206,80 0.215,81 7262,82 30059,83 93.976,84 5.32,85 4.721,86 1276.35,87 8.232,88 17781.7,89 310.764,90 4.623,91 136.39,92 30,93 6.98,94 405.53,95 54,96 27,97 6.306,98 10.135,99 4.237,100 17.994,101 83.167,102 458.284,103 3.686,104 128.382,105 25.532,106 13.663,107 606.579,108 55.276,109 61.863,110 2.716,111 0.329,112 0.837,113 0.14,114 0.501,115 -0.511,116 0.272,117 -1.213,118 -2,119 1.392,120 8063,121 16523,122 32.983,123 3.693,124 3.736,125 3.606,126 3.493,127 3.507,128 3.535,129 3.571,130 3.503,131 3.334,132 3.325,133 3.437,134 3.499,135 3.414,136 3.234,137 3.247,138 3.331,139 3.357,140 3.116,141 2.844,142 0.154,143 0.233,144 0.146,145 0.109,146 0.122,147 0.106,148 1.617,149 1.573,150 1.857,151 1.063,152 1.84,153 1.465,154 1.409,155 1.703,156 0.941,157 1.71,158 1.389,159 1.339,160 1.509,161 31.577,162 93.976,163 180.161,164 259.744,165 285.254,166 287.254,167 287.254,168 298.442,169 150.109,170 104,171 117,172 209.098,173 385.2,174 501.96,175 20.983,176 21.336,177 16.212,178 12.561,179 8.411,180 11.388,181 8.099,182 6.715,183 13.015,184 9.517,185 85.098,186 26.355,187 2.952,188 10.852,189 1.482,190 0.587,191 0.508,192 1.57,193 3.428,194 4.607,195 3.636,196 0.587,197 3.58,198 3.826,199 5.878,200 4.894,201 4.042,202 3.947,203 3.938,204 6.127,205 12.281,206 5.044,207 6.416,208 25.557,209 11.145,210 1.237,211 10.135,212 13.581,213 1.169,214 9.234,215 13.016,216 1.071,217 62.5,218 2.644,219 2.593,220 2.722,221 1.542,222 3.494,223 2.479,224 2.068,225 1.197,226 1.385,227 1.044,228 1.038,229 0.739,230 0.546,231 0.445,232 21.019,233 0.531,234 0.444,235 0.22,236 1.707,237 3.296,238 3.296,239 26,240 53,241 27,242 3.142,243 3.466,244 13.665,245 31,246 1.197,247 3.494,248 2.644,249 41.827,250 42.097,251 4.975,252 1.795,253 1.746,254 1.608,255 1.232,256 3.97,257 11.28,258 11.917,259 483.91,260 589.24,261 440,262 37.914,263 11.186,264 0.387,265 0.43,266 0.373,267 0.086,268 -1.095,269 0.193,270 99.713,271 0.387,272 15.027,273 7.427,274 0.258,275 12.921,276 14,277 12.527,278 0.032,279 0.136,280 0.33,281 0.58,282 0.75,283 1.206,284 3.241,285 0.782,286 6.283,287 57.105,288 21.72,289 1.652,290 2,291 7,292 5.282,293 0.01,294 0.045,295 0.04,296 6,297 82.062,298 4.046}
{0 CHEMBL441308,1 112.776,2 4.125,3 4.238,4 3.608,5 5.365,6 3.58,7 5.153,8 6.233,9 4.154,10 4.086,11 5.071,12 5.286,13 4.214,14 4.126,15 6.51,16 4.068,17 0.807,18 1.237,19 9.485,20 38.43,21 1.564,22 40.706,23 11.742,24 16.114,25 3.471,26 2046,27 19.742,28 19.742,29 19.742,30 19.742,31 19.742,32 18.134,33 12.003,34 19.949,35 15.256,36 15.256,37 15.256,38 15.256,39 15.256,40 5.712,41 15.575,42 4.117,43 669,44 5.701,45 343,46 2.719,47 1.759,48 1.668,49 2.396,50 3.468,51 1.359,52 2.021,53 2.548,54 2.358,55 2,56 1,57 1.283,58 2.136,59 1,60 1.704,61 1.408,62 0.485,63 0.521,64 1.128,65 0.433,66 1.533,67 1.367,68 0.387,69 0.426,70 0.836,71 0.373,72 1.433,73 0.828,74 -1.226,75 -0.46,76 14.367,77 32.314,78 36.633,79 8.23,80 0.301,81 10957,82 42729,83 100.536,84 5.431,85 4.924,86 1699.01,87 8.649,88 25739.9,89 339.763,90 4.845,91 162.315,92 33.484,93 7.211,94 453.57,95 58,96 31,97 7.083,98 11.62,99 4.943,100 20.781,101 91.333,102 458.284,103 4.039,104 149.58,105 26.788,106 13.937,107 645.786,108 59.276,109 65.863,110 3.468,111 1,112 2.548,113 0.485,114 2.136,115 0.387,116 1.128,117 0.836,118 -1.226,119 1.759,120 11597,121 23012,122 36.983,123 3.703,124 3.745,125 3.658,126 3.546,127 3.534,128 3.624,129 3.659,130 3.577,131 3.451,132 3.465,133 3.529,134 3.562,135 3.466,136 3.284,137 3.307,138 3.36,139 3.38,140 3.156,141 2.865,142 0.132,143 0.199,144 0.124,145 0.093,146 0.115,147 0.089,148 1.639,149 1.6,150 1.862,151 1.059,152 1.846,153 1.58,154 1.539,155 1.776,156 0.928,157 1.786,158 1.412,159 1.374,160 1.52,161 35.576,162 100.536,163 218.934,164 288.643,165 310.253,166 315.008,167 315.008,168 193.538,169 101.844,170 126,171 135,172 231.292,173 423.22,174 556.113,175 23.389,176 23.742,177 17.892,178 14.595,179 9.473,180 13.462,181 9.165,182 7.572,183 15.049,184 10.579,185 97.305,186 29.275,187 3.219,188 11.065,189 2.214,190 1.227,191 1.186,192 2.5,193 3.43,194 4.543,195 3.654,196 1.227,197 3.711,198 3.979,199 5.964,200 4.96,201 4.227,202 4.167,203 4.188,204 6.32,205 12.135,206 5.514,207 6.654,208 25.097,209 11.836,210 1.502,211 11.833,212 14.764,213 1.595,214 12.096,215 16.125,216 1.176,217 70.5,218 2.742,219 3.109,220 2.972,221 2.268,222 4.129,223 2.688,224 2.214,225 1.427,226 1.678,227 1.438,228 1.375,229 1.04,230 1,231 0.866,232 29.361,233 0.715,234 0.481,235 0.286,236 1.745,237 3.466,238 3.466,239 31,240 58,241 27,242 3.128,243 3.689,244 16.157,245 39,246 1.427,247 4.129,248 2.742,249 49.389,250 54.284,251 4.976,252 1.814,253 1.779,254 1.613,255 1.258,256 4.143,257 13.213,258 13.764,259 543.03,260 673.53,261 496,262 43.067,263 12.754,264 1.061,265 1.439,266 1,267 0.517,268 -0.526,269 0.181,270 88.353,271 1.061,272 18.898,273 8.09,274 0.23,275 12.043,276 14,277 11.083,278 0.029,279 0.126,280 0.17,281 0.55,282 0.75,283 1.208,284 3.384,285 0.809,286 6.37,287 59.569,288 22.479,289 1.669,290 2,291 9,292 5.349,293 0.009,294 0.039,295 0.035,296 5,297 79.528,298 4.387}