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2.7125 3.9899 0.9277 0.7969 0.1475 1.2129 3.0002 3.1633 1.4348 0.036 -3.1624 -1.8005 -1.7362 -1.5736 -0.8617 -0.1773 -1.6048 -3.7922 -3.3739 -3.9776 1.8535 -2.4498 -2.2695 0.7515 0.6505 0.1606 0.0605 -0.1859 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2010.09.21 02CBEFC300000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 131.1038 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 50.749 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10675989 125 17624981529999132289 11059845 2 18337657630405490616 11062273 23 18334013934802853427 11136131 41 17903351508096689673 11763715 3 17760110779277302855 12788726 201 18337658824391529067 12988421 55 18117544142472271125 14068700 675 18048309243733127047 14950920 106 16950859032555113152 15200665 1 18410018753861474835 15320294 125 18041560230618257284 15513586 35 17532673405732033061 16114785 44 18343016667322800339 16990350 14 17691127037140779673 18393751 57 18264222335582401321 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325 92 261 233 180 296 15 108 31 294 155 288 273 253 198 324 34 286 22 79 291 106 81 206 149 175 70 303 202 280 129 260 177 72 270 226 292 272 185 247 76 156 216 172 317 148 217 69 240 267 130 222 313 238 134 117 152 283 140 265 262 67 204 87 277 213 269 302 147 173 164 315 298 125 321 246 212 74 309 116 86 227 142 287 27 166 151 176 100 50 257 28 316 158 256 221 163 322 41 193 241 274 49 190 104 80 218 235 207 329 170 167 209 65 249 254 11 162 205 75 5 208 12 214 244 171 107 143 115 159 144 94 78 199 201 251 230 300 138 10 84 307 239 195 326 197 33 23 109 91 112 157 299 276 189 282 85 183 121 82 128 21 306 252 278 188 304 211 234 245 186 102 46 182 215 279 97 88 8 305 301 150 133 73 118 141 228 53 139 96 103 77 114 225 271 56 293 312 318 323 268 122 243 24 290 289 66 196 184 258 57 220 308 42 47 99 44 39 284 59 71 123 263 281 203 113 9 16 297 154 310 29 58 275 119 127 165 64 48 25 169 124 63 191 330 192 14 132 18 194 259 93 161 35 327 52 314 20 328 237 231 98 120 111 43 236 51 36 174 90 223 62 89 200 219 285 136 55 153 319 30 131 181 37 110 135 95 266 19 126 179 232 45 40 2 54 101 137 60 187 250 17 160 7 83 105 26 13 6 145 38 32 311 68 61 4 146 264 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 43 1 -0.18 10 0.33 13 0.27 14 0.27 15 0.27 16 0.27 17 0.57 18 0.27 2 -0.18 23 0.42 24 0.3 25 -0.14 26 0.28 27 0.3 28 0.3 29 0.3 3 -0.56 30 -0.15 31 -0.15 32 0.54 33 0.18 34 -0.15 35 0.09 36 0.18 37 -0.15 38 -0.15 39 -0.15 4 -0.57 40 -0.15 41 -0.15 5 -0.57 6 -0.81 7 -0.81 76 0.15 77 0.15 78 0.15 79 0.15 8 -0.66 80 0.15 81 0.15 82 0.15 83 0.15 9 -0.66 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 12.6 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 10 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 cation 1 7 cation 6 25 30 31 33 34 36 rings 6 3 9 23 24 26 27 rings 6 35 37 38 39 40 41 rings 6 6 15 16 19 20 22 rings 6 7 10 11 12 13 14 rings 41 1 1 0 0 0 0 0 1 1