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Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 50.747 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10 15 15697998535211119862 10299344 5 18412263947661452362 10319926 262 17203321234534350795 10391435 84 17313387880983423864 10577160 183 18339914936884252703 10670039 82 11674873412353458263 11135609 127 9583218537239003762 11315181 36 18202286940168243173 12082328 90 17167578281085689573 12144603 126 18411708707079966484 13533116 47 18260545615959180104 13668630 136 16298390166920510041 13685833 64 17458347442070073284 13782708 43 17458616771121831622 14251764 18 18342741835784673373 14598715 104 15697718104301905081 14849402 71 18198908187321885320 15021287 119 18113903779974655189 15198563 99 15647322010101734751 15326921 28 17700141998314113625 15328684 2 18201162031760582664 15419008 47 15791725334553352245 15510794 2 16950286226389361881 15510800 12 17096098995398370226 15716309 27 18407759244074584173 18603816 31 18187366580059192067 2026 5 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Scientific Software 2019.06.18 322.4 Conformer RMSD 7 2009.12.11 1 Diverse Conformer ID List 6 2012.02.08 1 83 31 230 160 58 54 105 211 158 154 36 134 159 178 165 191 116 88 146 237 163 216 42 148 249 233 20 257 43 5 174 217 151 119 139 133 226 30 195 89 155 255 90 124 111 231 215 37 135 254 138 245 206 16 157 122 161 71 213 192 40 156 258 103 136 106 253 201 107 75 45 208 17 22 137 97 144 69 79 53 182 118 169 102 142 123 66 108 179 29 171 74 207 210 168 221 247 251 23 95 9 194 73 214 130 227 112 186 219 129 170 63 44 172 188 184 220 104 86 127 100 185 78 61 96 229 236 109 2 223 72 117 234 212 246 46 243 141 76 150 180 80 41 183 205 244 68 82 238 28 189 51 242 57 187 240 39 115 33 132 27 125 110 120 94 52 190 140 176 181 59 50 101 198 232 239 131 177 77 222 49 48 13 164 11 166 15 248 81 200 60 167 7 91 93 228 10 18 152 32 92 64 25 209 85 87 147 204 84 113 235 218 98 35 34 203 145 62 114 19 4 8 56 99 153 193 126 21 252 38 70 196 224 128 162 12 3 173 197 14 175 24 67 149 121 202 250 259 65 6 225 55 143 199 26 256 47 241 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 40 1 -0.18 10 -0.23 11 -0.88 12 0.32 13 -0.07 14 0.12 15 0.14 16 0.57 17 -0.14 18 0.72 19 0.12 2 -0.18 20 -0.15 21 -0.15 22 0.14 23 0.08 24 0.18 25 -0.15 26 -0.15 27 -0.15 28 0.18 29 -0.15 3 -0.57 30 0.28 33 0.37 34 0.15 35 0.37 36 0.15 4 -0.36 40 0.15 41 0.4 42 0.4 43 0.15 44 0.15 45 0.15 5 -0.57 6 0.31 7 -0.55 8 -0.55 9 -0.42 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 8 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 10 1 11 cation 1 11 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 7 donor 1 8 donor 5 6 9 10 13 15 rings 6 14 17 20 21 24 25 rings 6 19 23 26 27 28 29 rings 30 0 0 0 0 0 0 0 1 14