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CCC[C@@H](C)NCCC(C)SC AIFCHEM-6081678009 [0,2,0,0,0,0|2,0,0]=4 130 B11R0.174 CCC[C@H](C)NCCC(C)SC AIFCHEM-5628494798 [0,2,0,0,0,0|2,0,0]=4 131 B11R0.304 CCCCCNC(C)(C)COC AIFCHEM-94551430731 [0,2,0,0,0,0|2,0,0]=4 132 B11R0.40 CCCCCNCCC(C)SC AIFCHEM-94552819181 [0,2,0,0,0,0|1,0,0]=3 133 B11R0.40 CCOCCNCCC(C)SC AIFCHEM-94548604240 [0,2,0,0,0,0|2,0,0]=4 134 B11R0.40 CSC(C)CCNCCCCO AIFCHEM-6488562984 [0,2,0,0,0,0|2,0,0]=4 135 B11R0.40 CSCCCNCCC(C)SC AIFCHEM-94529052188 [0,2,0,0,0,0|2,0,0]=4 136 B11R0.40 OCCCCCNCC(O)CO AIFCHEM-6422224454 [0,2,0,0,0,0|2,0,0]=4 137 B11R0.40 OCCCCCNC[C@@H](O)CO AIFCHEM-6434328270 [0,2,0,0,0,0|2,0,0]=4 138 B11R0.40 OCCCCCNC[C@H](O)CO AIFCHEM-6467766943 [0,2,0,0,0,0|2,0,0]=4 139 B11R0.42 CCCCCCNC(C)C(C)C AIFCHEM-94522500642 [0,2,0,0,0,0|2,0,0]=4 140 B11R0.42 CSCCCNCC(O)C(C)C AIFCHEM-94546180499 [0,2,0,0,0,0|2,0,0]=4 141 B11R0.46 CCCCCC(C)NCC(C)O AIFCHEM-94564413095 [0,2,0,0,0,0|2,0,0]=4 142 B11R0.46 CCCCCC(C)NC[C@@H](C)O AIFCHEM-94564407339 [0,2,0,0,0,0|2,0,0]=4 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[0,2,0,0,0,0|1,0,0]=3 157 B11R0.3 CCCCCNCCOCCO AIFCHEM-94551431702 [0,2,0,0,0,0|1,0,0]=3 158 B11R0.3 CCNCCOCCOCCO AIFCHEM-94521654869 [0,2,0,0,0,0|1,0,0]=3 159 B11R0.3 CCOCCNCCOCCO AIFCHEM-94548604451 [0,2,0,0,0,0|2,0,0]=4 160 B11R0.3 CCSCCNCCCCCO AIFCHEM-6054541225 [0,2,0,0,0,0|1,0,0]=3 161 B11R0.3 CSCCCNCCOCCO AIFCHEM-94566170825 [0,2,0,0,0,0|2,0,0]=4 162 B11R0.140 CCCCCC(=O)NCCOC AIFCHEM-94585545776 [0,2,0,0,0,0|2,0,0]=4 163 B11R0.140 CCCCCC(C)NCCSC AIFCHEM-94564405003 [0,2,0,0,0,0|2,0,0]=4 164 B11R0.140 CCCCCN(C)CCCSC AIFCHEM-94546180480 [0,2,0,0,0,0|1,0,0]=3 165 B11R0.140 CCCCNC(=O)COCCC AIFCHEM-5693581577 [0,2,0,0,0,0|1,0,1]=4 166 B11R0.70 CCC(C)CNC(C)CCSC AIFCHEM-94534473030 [0,2,0,0,0,0|2,0,0]=4 167 B11R0.70 CCCCC(=O)NCC(F)CC AIFCHEM-94534102691 [0,2,0,0,0,0|1,0,1]=4 168 B11R0.70 CCCCC(C)NCC(C)OC AIFCHEM-94541403618 [0,2,0,0,0,0|2,0,0]=4 169 B11R0.70 CCCCC(C)NCC(F)CC AIFCHEM-94541393975 [0,2,0,0,0,0|1,0,0]=3 170 B11R0.70 CCCCC(C)NC[C@@H](C)OC AIFCHEM-94608840322 [0,2,0,0,0,0|2,0,0]=4 171 B11R0.70 CCCCC(C)NC[C@@H](F)CO AIFCHEM-94541399473 [0,2,0,0,0,0|2,0,0]=4 172 B11R0.70 CCCCC(C)NC[C@H](C)OC AIFCHEM-94588784228 [0,2,0,0,0,0|2,0,0]=4 173 B11R0.70 CCCCC(C)NC[C@H](F)CO AIFCHEM-94577440502 [0,2,0,0,0,0|2,0,0]=4 174 B11R0.106 CCC(C)CNCCC(C)CO AIFCHEM-6462688773 [0,2,0,0,0,0|2,0,0]=4 175 B11R0.124 CCCCCCNC(CC)CO AIFCHEM-94571765436 [0,2,0,0,0,0|2,0,0]=4 176 B11R0.154 CCC(C)CN(C)CCCSC AIFCHEM-94546175585 [0,2,0,0,0,0|2,0,0]=4 177 B11R0.154 CCCCCN(C)CC(O)CO AIFCHEM-6087874799 [0,2,0,0,0,0|2,0,0]=4 178 B11R0.154 CCCCCN(C)C[C@H](O)CO AIFCHEM-94590562187 [0,2,0,0,0,0|2,0,0]=4 179 B11R0.11 CCCCC(C)C(=O)NCCC AIFCHEM-5815291422 [0,2,0,0,0,0|2,0,0]=4 180 B9R1.8 CCNC1CCCCC1 AIFCHEM-94537419387 [1,0,0,1,0,0|1,0,0]=3 181 B9R1.12 OCCNC1CCCC1 AIFCHEM-94577775719 [1,0,0,1,0,0|2,0,0]=4 182 B9R1.14 CCC1CCCN1CC AIFCHEM-94537424244 [1,0,0,1,0,0|1,0,0]=3 183 B9R1.16 CCCCNC1CC1F AIFCHEM-94523030738 [1,0,0,1,0,0|2,0,0]=4 184 B9R1.16 CCCCN[C@@H]1C[C@@H]1F AIFCHEM-94523031538 [1,0,0,1,0,0|2,0,0]=4 185 B9R1.16 CCCCN[C@@H]1C[C@H]1F AIFCHEM-94523028706 [1,0,0,1,0,0|2,0,0]=4 186 B9R1.16 CCCCN[C@H]1C[C@@H]1F AIFCHEM-94523032760 [1,0,0,1,0,0|2,0,0]=4 187 B9R1.16 CCCCN[C@H]1C[C@H]1F AIFCHEM-94523031537 [1,0,0,1,0,0|2,0,0]=4 188 B9R1.16 CCCNC[C@@H]1C[C@H]1C AIFCHEM-94599414203 [1,0,0,1,0,0|1,0,0]=3 189 B9R1.17 COCCNC1CCC1 AIFCHEM-94576044330 [1,0,0,1,0,0|2,0,0]=4 190 B9R1.33 CCCN1CCCC1C AIFCHEM-94569019823 [1,0,0,1,0,0|1,0,0]=3 191 B9R1.33 CCCN1CCC[C@@H]1C AIFCHEM-94569013885 [1,0,0,1,0,0|1,0,0]=3 192 B9R1.33 CCCN1CCC[C@H]1C AIFCHEM-94548508901 [1,0,0,1,0,0|1,0,0]=3 193 B9R1.39 CCCN[C@@H]1CC[C@H]1O AIFCHEM-94569013357 [1,0,0,1,0,0|2,0,0]=4 194 B11R1.4 CCCCCNC1CCSC1 AIFCHEM-94552817338 [0,1,0,1,0,0|1,0,0]=3 195 B11R1.4 CCOCCNC1CCOC1 AIFCHEM-94548605077 [0,1,0,1,0,0|2,0,0]=4 196 B11R1.4 COCCCNC1CCOC1 AIFCHEM-5644448983 [0,1,0,1,0,0|2,0,0]=4 197 B11R1.4 CSCCNCC1CCOC1 AIFCHEM-5830819048 [0,1,0,1,0,0|2,0,0]=4 198 B11R1.4 OCCCCNC1CCSC1 AIFCHEM-6488246028 [0,1,0,1,0,0|2,0,0]=4 199 B11R1.4 OCCCNCC1CCCC1 AIFCHEM-94523166139 [0,1,0,1,0,0|2,0,0]=4 200 B11R1.4 OCCCNCC1CCOC1 AIFCHEM-94523165831 [0,1,0,1,0,0|2,0,0]=4 201 B11R1.16 CCCN(C)C1CCCCC1 AIFCHEM-94569008239 [0,1,0,1,0,0|2,0,0]=4 202 B11R1.24 CCCCN1CCOC(C1)C AIFCHEM-94523039599 [0,1,0,1,0,0|2,0,0]=4 203 B11R1.24 CCCCN1CCO[C@@H](C1)C AIFCHEM-94583860502 [0,1,0,1,0,0|2,0,0]=4 204 B11R1.24 CCCCN1CCO[C@H](C1)C AIFCHEM-94579467693 [0,1,0,1,0,0|2,0,0]=4 205 B11R1.30 CCCC(C)NC1CCOC1 AIFCHEM-94560472298 [0,1,0,1,0,0|2,0,0]=4 206 B11R1.30 CCCC(C)N[C@@H]1CCOC1 AIFCHEM-94606108692 [0,1,0,1,0,0|2,0,0]=4 207 B11R1.30 CCCC(C)N[C@H]1CCOC1 AIFCHEM-94606114718 [0,1,0,1,0,0|2,0,0]=4 208 B11R1.30 CCC[C@@H](C)NC1CCOC1 AIFCHEM-6086257288 [0,1,0,1,0,0|2,0,0]=4 209 B11R1.30 CCC[C@H](C)NC1CCOC1 AIFCHEM-5613766027 [0,1,0,1,0,0|2,0,0]=4 210 B11R1.78 CCCCNC[C@H]1C[C@H](C1)O AIFCHEM-94523031469 [0,1,0,1,0,0|1,0,0]=3 211 B11R1.78 CCOCCNC1CC(C1)O AIFCHEM-94548604127 [0,1,0,1,0,0|2,0,0]=4 212 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[0,1,0,1,0,0|2,0,0]=4 226 B11R1.291 CCCC(C)N[C@@H]1CC[C@H]1O AIFCHEM-94606113006 [0,1,0,1,0,0|2,0,0]=4 227 B11R1.356 CCSCCNC(C)C1CC1 AIFCHEM-6054923095 [0,1,0,1,0,0|2,0,0]=4 228 B11R1.46 OCCCCCNC1CC1F AIFCHEM-5864792939 [0,1,0,1,0,0|2,0,0]=4 229 B11R1.46 OCCCCCN[C@@H]1C[C@@H]1F AIFCHEM-6086179283 [0,1,0,1,0,0|2,0,0]=4 230 B11R1.46 OCCCCCN[C@@H]1C[C@H]1F AIFCHEM-5815485421 [0,1,0,1,0,0|2,0,0]=4 231 B11R1.46 OCCCCCN[C@H]1C[C@@H]1F AIFCHEM-6046583831 [0,1,0,1,0,0|2,0,0]=4 232 B11R1.90 CC(C)CNC1CCCC1C AIFCHEM-94563719093 [0,1,0,1,0,0|2,0,0]=4 233 B11R1.91 CC(=O)NCC1CCCCO1 AIFCHEM-94535598550 [0,1,0,1,0,0|1,0,1]=4 234 B11R1.91 CC(C)CNC1CCCCC1 AIFCHEM-94572981427 [0,1,0,1,0,0|2,0,0]=4 235 B11R1.99 CCCCCCNCC1CC1 AIFCHEM-94571762776 [0,1,0,1,0,0|1,0,0]=3 236 B11R1.99 CCCCCNCCC1CC1 AIFCHEM-94551438227 [0,1,0,1,0,0|1,0,0]=3 237 B11R1.99 CSCCCNCCC1CC1 AIFCHEM-94546191088 [0,1,0,1,0,0|1,0,0]=3 238 B11R1.99 N#CCCCCNCC1CC1 AIFCHEM-94558538338 [0,1,0,1,0,0|1,0,1]=4 239 B11R1.99 OCCCCCNCC1CC1 AIFCHEM-5911111569 [0,1,0,1,0,0|1,0,0]=3 240 B11R1.99 OCCOCCNCC1CC1 AIFCHEM-94565551842 [0,1,0,1,0,0|2,0,0]=4 241 B11R1.172 CC(C)CNCC1CCCC1 AIFCHEM-94572982575 [0,1,0,1,0,0|2,0,0]=4 242 B11R1.172 CC(O)CNCC1CCCC1 AIFCHEM-6483474891 [0,1,0,1,0,0|2,0,0]=4 243 B11R1.172 C[C@@H](O)CNCC1CCCC1 AIFCHEM-6493272986 [0,1,0,1,0,0|2,0,0]=4 244 B11R1.172 C[C@H](O)CNCC1CCCC1 AIFCHEM-6492572424 [0,1,0,1,0,0|2,0,0]=4 245 B11R1.174 CC(C)CCCNC1CCC1 AIFCHEM-94576044858 [0,1,0,1,0,0|1,0,0]=3 246 B11R1.174 FC(F)CCNCC1CCC1 AIFCHEM-6213715517 [0,1,0,1,0,0|2,0,0]=4 247 B11R1.176 CN(C)CCNCCC1CC1 AIFCHEM-94564771447 [0,1,0,1,0,0|2,0,0]=4 248 B11R1.742 CC(C)NC1CCCCCC1 AIFCHEM-94520540459 [0,1,0,1,0,0|2,0,0]=4 249 B11R1.17 CC1CCCCC1NCCF AIFCHEM-5861590832 [0,1,0,1,0,0|2,0,0]=4 250 B11R1.18 CCC1CCCC1NCCO AIFCHEM-94577779170 [0,1,0,1,0,0|2,0,0]=4 251 B11R1.18 CCCCN1CCCC1CC AIFCHEM-94523040557 [0,1,0,1,0,0|1,0,0]=3 252 B11R1.18 CCCNC1CCCC1CC AIFCHEM-5875578081 [0,1,0,1,0,0|1,0,0]=3 253 B11R1.28 CCCCNC1CCOCC1 AIFCHEM-94523036609 [0,1,0,1,0,0|1,0,0]=3 254 B11R1.28 CSCCNC1CCCSC1 AIFCHEM-94598920650 [0,1,0,1,0,0|2,0,0]=4 255 B11R1.28 OCCCNC1CCCCC1 AIFCHEM-94601787691 [0,1,0,1,0,0|2,0,0]=4 256 B11R1.41 CCCN1CCCCC1CC AIFCHEM-94569012819 [0,1,0,1,0,0|1,0,0]=3 257 B11R1.41 CCCN1CCOCC1CC AIFCHEM-94569019891 [0,1,0,1,0,0|0,0,0]=2 258 B11R1.41 CCCN1CCOC[C@@H]1CC AIFCHEM-94531748536 [0,1,0,1,0,0|0,0,0]=2 259 B11R1.41 CCCN1CCOC[C@H]1CC AIFCHEM-94591340169 [0,1,0,1,0,0|0,0,0]=2 260 B11R1.47 CCCCCCCN1CCC1 AIFCHEM-94604918926 [0,1,0,1,0,0|1,0,0]=3 261 B11R1.47 CCOCCCNC1CCC1 AIFCHEM-94576056023 [0,1,0,1,0,0|1,0,0]=3 262 B11R1.47 CCSCCNCC1CCC1 AIFCHEM-6054738878 [0,1,0,1,0,0|1,0,0]=3 263 B11R1.47 OCCCCCNC1CCC1 AIFCHEM-94576051452 [0,1,0,1,0,0|1,0,0]=3 264 B11R1.181 CSCCCN1CC[C@@H]1CO AIFCHEM-94554357223 [0,1,0,1,0,0|2,0,0]=4 265 B11R1.181 CSCCCN1CC[C@H]1CO AIFCHEM-94538002087 [0,1,0,1,0,0|2,0,0]=4 266 B11R1.190 CC1CCN1CCCCCO AIFCHEM-6087039815 [0,1,0,1,0,0|1,0,0]=3 267 B11R1.190 C[C@@H]1CCN1CCCCCO AIFCHEM-6230574580 [0,1,0,1,0,0|1,0,0]=3 268 B11R1.190 C[C@H]1CCN1CCCCCO AIFCHEM-5740921423 [0,1,0,1,0,0|1,0,0]=3 269 B11R1.203 CCNCC1CCCCCC1 AIFCHEM-94532085883 [0,1,0,1,0,0|1,0,0]=3 270 B11R1.1 CCCCN1CCC(CC1)C AIFCHEM-94523040026 [0,1,0,1,0,0|1,0,0]=3 271 B11R1.25 CCC(F)CNC1CCCC1 AIFCHEM-94541520734 [0,1,0,1,0,0|1,0,0]=3 272 B11R1.25 CCC(F)CNC1CCOC1 AIFCHEM-5839238319 [0,1,0,1,0,0|2,0,0]=4 273 B11R1.236 OCC(O)CNCC1CCC1 AIFCHEM-6480518656 [0,1,0,1,0,0|2,0,0]=4 274 B11R1.236 OC[C@@H](O)CNCC1CCC1 AIFCHEM-6443338796 [0,1,0,1,0,0|2,0,0]=4 275 B11R1.236 OC[C@H](O)CNCC1CCC1 AIFCHEM-6464988414 [0,1,0,1,0,0|2,0,0]=4 276 B11R1.237 CCC(C)CNCCC1CC1 AIFCHEM-5697343846 [0,1,0,1,0,0|1,0,0]=3 277 B11R1.284 CN(CCCO)CC1CCC1 AIFCHEM-6400958621 [0,1,0,1,0,0|2,0,0]=4 278 B11R1.284 CSCCN(C)CC1CCC1 AIFCHEM-94607181412 [0,1,0,1,0,0|2,0,0]=4 279 B11R1.285 CCCCC(=O)NCC1CC1 AIFCHEM-94592475648 [0,1,0,1,0,0|1,0,1]=4 280 B11R1.285 CCCNC(=O)CCC1CC1 AIFCHEM-5853717499 [0,1,0,1,0,0|2,0,0]=4 281 B11R1.286 CSCCC(C)N1CCC1C AIFCHEM-6113843666 [0,1,0,1,0,0|2,0,0]=4 282 B11R1.286 CSCCC(C)N1CC[C@@H]1C AIFCHEM-5710760031 [0,1,0,1,0,0|2,0,0]=4 283 B11R1.286 CSCCC(C)N1CC[C@H]1C AIFCHEM-6209920482 [0,1,0,1,0,0|2,0,0]=4 284 B11R1.299 CN(CCCCO)C1CCC1 AIFCHEM-94576053751 [0,1,0,1,0,0|2,0,0]=4 285 B11R1.299 COCCNC(C)C1CCC1 AIFCHEM-6015691597 [0,1,0,1,0,0|2,0,0]=4 286 B11R1.301 CCCCCN(C)CC1CC1 AIFCHEM-94594889782 [0,1,0,1,0,0|1,0,0]=3 287 B11R1.756 CCCNCC1(CCCC1)C AIFCHEM-94521370574 [0,1,0,1,0,0|2,0,0]=4 288 B11R1.1034 CCCCNC(=O)C1CC1C AIFCHEM-94570980956 [0,1,0,1,0,0|1,0,1]=4 289 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@H]1C AIFCHEM-94570983326 [0,1,0,1,0,0|1,0,1]=4 290 B11R1.1034 CCCCNC(=O)[C@H]1C[C@@H]1C AIFCHEM-5725644444 [0,1,0,1,0,0|1,0,1]=4 291 B11R2.248 CCCN1CC2CCC1C2 AIFCHEM-94569020999 [0,0,0,2,0,0|2,0,0]=4 292 B11R2.232 CCN1C2CCC1COC2 AIFCHEM-94537419649 [0,0,0,2,0,0|1,0,0]=3 293 B11R2.157 CCCCN1CC2CC2C1 AIFCHEM-94523041274 [0,0,0,2,0,0|1,0,0]=3 294 B11R2.157 CCCNC1CC2CC2C1 AIFCHEM-94521367644 [0,0,0,2,0,0|2,0,0]=4 295 B11R2.157 CCCNC1C[C@@H]2C[C@@H]2C1 AIFCHEM-5814770938 [0,0,0,2,0,0|2,0,0]=4 296 B11R2.238 C1COCN(C1)CC2CC2 AIFCHEM-5715757962 [0,0,0,2,0,0|2,0,0]=4 297 B11R2.239 C1CC(C1)N2CCSCC2 AIFCHEM-94541222558 [0,0,0,2,0,0|2,0,0]=4 298 B11R2.239 C1CCC(CC1)N2CCC2 AIFCHEM-94601793039 [0,0,0,2,0,0|2,0,0]=4 299 B11R2.7 CC1CCN1C2CCCC2 AIFCHEM-94541518194 [0,0,0,2,0,0|1,0,0]=3 300 B11R2.7 C[C@@H]1CCN1C2CCCC2 AIFCHEM-94541531223 [0,0,0,2,0,0|1,0,0]=3 301 B11R2.7 C[C@H]1CCN1C2CCCC2 AIFCHEM-94541533026 [0,0,0,2,0,0|1,0,0]=3 302 B11R2.385 C1CCC(C1)NCC2CC2 AIFCHEM-94592469216 [0,0,0,2,0,0|1,0,0]=3 303 B11R2.115 CC1CCCC1NC2CC2 AIFCHEM-6108831499 [0,0,0,2,0,0|2,0,0]=4 304 B11R2.115 CC1CCCN1CC2CC2 AIFCHEM-94592633782 [0,0,0,2,0,0|1,0,0]=3 305 B11R2.115 C[C@@H]1CCCN1CC2CC2 AIFCHEM-6034581237 [0,0,0,2,0,0|1,0,0]=3 306 B11R2.115 C[C@H]1CCCN1CC2CC2 AIFCHEM-5650058856 [0,0,0,2,0,0|1,0,0]=3 307 B11R2.512 CC1CCN1CC2CCC2 AIFCHEM-6128385244 [0,0,0,2,0,0|1,0,0]=3 308 B11R2.512 C[C@@H]1CCN1CC2CCC2 AIFCHEM-6275404943 [0,0,0,2,0,0|1,0,0]=3 309 B11R2.512 C[C@H]1CCN1CC2CCC2 AIFCHEM-5760329790 [0,0,0,2,0,0|1,0,0]=3 310 B11R2.774 C[C@@H]1C[C@H]1NCC2CCC2 AIFCHEM-94559008445 [0,0,0,2,0,0|1,0,0]=3 311 B11R2.384 C1CC(C1)NCC2CCO2 AIFCHEM-94576058708 [0,0,0,2,0,0|2,0,0]=4 312 B11R2.384 C1CC(C1)NCC2COC2 AIFCHEM-94576055946 [0,0,0,2,0,0|2,0,0]=4 313 B11R2.384 C1CC(C1)NC[C@@H]2CCO2 AIFCHEM-94576050410 [0,0,0,2,0,0|2,0,0]=4 314 B11R2.384 C1CC(C1)NC[C@H]2CCO2 AIFCHEM-94576050406 [0,0,0,2,0,0|2,0,0]=4 315 B11R2.1034 C(CC1CC1)NCC2CC2 AIFCHEM-5746060923 [0,0,0,2,0,0|1,0,0]=3 316 B8R0.1 CCCCN(C)CCC AIFCHEM-94523040043 [2,1,0,0,0,0|1,0,0]=4 317 B8R0.7 CCCCNCC(C)C AIFCHEM-94570975038 [2,1,0,0,0,0|1,0,0]=4 318 B10R0.6 CCCCCN(C)CC(C)C AIFCHEM-94551435218 [1,2,0,0,0,0|1,0,0]=4 319 B10R0.22 CCCCCNCC(C)(C)C AIFCHEM-94551434681 [1,2,0,0,0,0|1,0,0]=4 320 B10R0.55 CCC(C)CNCCC(C)C AIFCHEM-6121185674 [1,2,0,0,0,0|1,0,0]=4 321 B10R0.75 CCCCNCC(O)C(C)C AIFCHEM-94523035587 [1,2,0,0,0,0|1,0,0]=4 322 B10R0.78 CCCCC(C)NCC(C)O AIFCHEM-94541404351 [1,2,0,0,0,0|1,0,0]=4 323 B10R0.78 CCCCC(C)NC[C@@H](C)O AIFCHEM-94541398614 [1,2,0,0,0,0|1,0,0]=4 324 B10R0.78 CCCCC(C)NC[C@H](C)O AIFCHEM-94541398615 [1,2,0,0,0,0|1,0,0]=4 325 B10R0.97 CC(C)CCCNCC(C)C AIFCHEM-94572971938 [1,2,0,0,0,0|1,0,0]=4 326 B10R0.108 CCCC(C)NCC(F)CC AIFCHEM-94606111738 [1,2,0,0,0,0|1,0,0]=4 327 B10R0.16 CCCCN(CC)CCCC AIFCHEM-94537412202 [1,2,0,0,0,0|1,0,0]=4 328 B10R0.18 CCCCN(C)CC(C)CC AIFCHEM-94523030673 [1,2,0,0,0,0|1,0,0]=4 329 B10R0.41 CCCCCNC(CC)CO AIFCHEM-94552821569 [1,2,0,0,0,0|1,0,0]=4 330 B10R0.41 CCCCCN[C@@H](CC)CO AIFCHEM-94551434740 [1,2,0,0,0,0|1,0,0]=4 331 B10R0.41 CCCCCN[C@H](CC)CO AIFCHEM-94551434741 [1,2,0,0,0,0|1,0,0]=4 332 B10R0.59 CCC(C)CNCC(O)CC AIFCHEM-6457096569 [1,2,0,0,0,0|1,0,0]=4 333 B10R0.59 CCC(C)CNC[C@H](O)CC AIFCHEM-6462673825 [1,2,0,0,0,0|1,0,0]=4 334 B12R0.121 CCCC(C#N)NCCCCCO AIFCHEM-6479933838 [0,3,0,0,0,0|1,0,0]=4 335 B12R0.206 CCCCC(C)NCCOCCO AIFCHEM-94566173641 [0,3,0,0,0,0|1,0,0]=4 336 B12R0.206 CCCCCCCN(C)CCCC AIFCHEM-94523037081 [0,3,0,0,0,0|1,0,0]=4 337 B12R0.206 CCCCCCCN(C)CCOC AIFCHEM-94589458486 [0,3,0,0,0,0|1,0,0]=4 338 B12R0.206 CCCC[C@@H](C)NCCCCCO AIFCHEM-94596952049 [0,3,0,0,0,0|1,0,0]=4 339 B12R0.206 CCCC[C@@H](C)NCCOCCO AIFCHEM-94596950190 [0,3,0,0,0,0|1,0,0]=4 340 B12R0.239 CCCCCC(C)NC(C)CCC AIFCHEM-94560470006 [0,3,0,0,0,0|1,0,0]=4 341 B12R0.239 CCCCCC(C)N[C@@H](C)CCC AIFCHEM-94564406118 [0,3,0,0,0,0|1,0,0]=4 342 B12R0.239 CCCCCC(C)N[C@H](C)CCC AIFCHEM-94564394523 [0,3,0,0,0,0|1,0,0]=4 343 B12R0.47 CCCCCC(C)NCCCOC AIFCHEM-94564405027 [0,3,0,0,0,0|1,0,0]=4 344 B12R0.47 CCCCCC(C)NCCOCC AIFCHEM-94564397150 [0,3,0,0,0,0|1,0,0]=4 345 B12R0.47 CCCCCC(C)NCCSCC AIFCHEM-94566114423 [0,3,0,0,0,0|1,0,0]=4 346 B12R0.47 CCCCCCC(C)NCCCO AIFCHEM-6434112417 [0,3,0,0,0,0|1,0,0]=4 347 B12R0.47 CCCCCNC(C)CCCCC AIFCHEM-94564412604 [0,3,0,0,0,0|1,0,0]=4 348 B12R0.47 CCCCNC(=O)COCCCC AIFCHEM-5693378803 [0,3,0,0,0,0|0,0,0]=3 349 B12R0.47 CN(CCCCO)CCCCCO AIFCHEM-6399360453 [0,3,0,0,0,0|1,0,0]=4 350 B12R0.111 CCCCCN[C@@H](CO)CCCC AIFCHEM-94551437121 [0,3,0,0,0,0|1,0,0]=4 351 B12R0.111 CCCCCN[C@H](CO)CCCC AIFCHEM-94551437122 [0,3,0,0,0,0|1,0,0]=4 352 B12R0.255 CC(C)CCC(C)NCCCCO AIFCHEM-94561168288 [0,3,0,0,0,0|1,0,0]=4 353 B12R0.255 CCCCCCC(C)NCC(C)O AIFCHEM-6466302277 [0,3,0,0,0,0|1,0,0]=4 354 B12R0.255 CCCCCCC(C)NC[C@@H](C)O AIFCHEM-6491140969 [0,3,0,0,0,0|1,0,0]=4 355 B12R0.255 CCCCCCC(C)NC[C@H](C)O AIFCHEM-6493617427 [0,3,0,0,0,0|1,0,0]=4 356 B12R0.255 CSCCCNC(C)CCC(C)C AIFCHEM-94529050731 [0,3,0,0,0,0|1,0,0]=4 357 B12R0.648 CCCCNC(=O)C(C)CCCC AIFCHEM-5737301873 [0,3,0,0,0,0|1,0,0]=4 358 B12R0.116 CCCCCNC(C)C(CC)CC AIFCHEM-94552822252 [0,3,0,0,0,0|1,0,0]=4 359 B12R0.203 CCCCCN[C@@H](CCC)C(=O)N AIFCHEM-94527338286 [0,3,0,0,0,0|1,0,0]=4 360 B12R0.57 CCC(CO)NCCOCCOC AIFCHEM-5855254370 [0,3,0,0,0,0|1,0,0]=4 361 B12R0.142 CCCCCC(C)NCC(F)CC AIFCHEM-94564402700 [0,3,0,0,0,0|1,0,0]=4 362 B12R0.142 CCCCCC(C)NCC(O)CC AIFCHEM-94564402461 [0,3,0,0,0,0|1,0,0]=4 363 B12R0.142 CCCCCC(C)NC[C@H](O)CC AIFCHEM-94564402459 [0,3,0,0,0,0|1,0,0]=4 364 B12R0.142 CCCCNC(=O)CCC(C)CC AIFCHEM-5745385477 [0,3,0,0,0,0|1,0,0]=4 365 B12R0.248 CCCCCCCCNC(C)CO AIFCHEM-5795754270 [0,3,0,0,0,0|1,0,0]=4 366 B12R0.248 CCCCCCCCN[C@@H](C)CO AIFCHEM-6433079778 [0,3,0,0,0,0|1,0,0]=4 367 B12R0.248 CCCCCCCCN[C@H](C)CO AIFCHEM-6477077636 [0,3,0,0,0,0|1,0,0]=4 368 B12R0.248 CCCCCCCNCC(C)CC AIFCHEM-94534470034 [0,3,0,0,0,0|1,0,0]=4 369 B12R0.248 CCCCCNCCNC(=O)CC AIFCHEM-94532522439 [0,3,0,0,0,0|1,0,0]=4 370 B12R0.248 CCCCOCCCNC(=O)CC AIFCHEM-94526503265 [0,3,0,0,0,0|0,0,0]=3 371 B12R0.251 CCCCCCCNC(C)C(C)C AIFCHEM-94589460841 [0,3,0,0,0,0|1,0,0]=4 372 B12R0.251 CCCCCCCN[C@H](C)C(C)C AIFCHEM-94589457583 [0,3,0,0,0,0|1,0,0]=4 373 B12R0.251 COCCOCCNC(C)C(C)O AIFCHEM-94547070358 [0,3,0,0,0,0|1,0,0]=4 374 B12R0.119 CCCCCCCNCC(C)(C)O AIFCHEM-94589457221 [0,3,0,0,0,0|1,0,0]=4 375 B12R0.119 CCCCCNCCOC(C)(C)C AIFCHEM-94551431906 [0,3,0,0,0,0|1,0,0]=4 376 B12R0.234 CCCCCCCCNCC(F)F AIFCHEM-6063097285 [0,3,0,0,0,0|1,0,0]=4 377 B12R0.234 CCCCCCCNCCC(F)F AIFCHEM-94589448815 [0,3,0,0,0,0|1,0,0]=4 378 B12R0.234 CCCCCNCCCCC(=O)N AIFCHEM-94551439220 [0,3,0,0,0,0|1,0,0]=4 379 B12R0.234 CCCCNCCCCOC(=O)C AIFCHEM-5751697092 [0,3,0,0,0,0|1,0,0]=4 380 B12R0.234 COCCOCCNCCN(C)C AIFCHEM-94564764851 [0,3,0,0,0,0|1,0,0]=4 381 B12R0.5 CCCCCCCCCNCCC AIFCHEM-94521366521 [0,3,0,0,0,0|1,0,0]=4 382 B12R0.5 CCCCCCCCNCCC#N AIFCHEM-5719141165 [0,3,0,0,0,0|1,0,0]=4 383 B12R0.5 CCCCCCCCNCCCC AIFCHEM-5745169315 [0,3,0,0,0,0|1,0,0]=4 384 B12R0.5 CCCCCCCCNCCOC AIFCHEM-6015669809 [0,3,0,0,0,0|1,0,0]=4 385 B12R0.5 CCCCCCCNCCCCO AIFCHEM-94589452018 [0,3,0,0,0,0|1,0,0]=4 386 B12R0.5 CCCCCCCNCCCSC AIFCHEM-94589458884 [0,3,0,0,0,0|1,0,0]=4 387 B12R0.5 CCCCCNCCOCCOC AIFCHEM-94551431631 [0,3,0,0,0,0|1,0,0]=4 388 B12R0.5 CCCCNCCCOCCCO AIFCHEM-94523029119 [0,3,0,0,0,0|1,0,0]=4 389 B12R0.5 CCNCCCCCCCCCO AIFCHEM-94537412076 [0,3,0,0,0,0|1,0,0]=4 390 B12R0.5 COCCOCCNCCCSC AIFCHEM-94546181332 [0,3,0,0,0,0|1,0,0]=4 391 B12R0.5 CSCCCNCCCOCCO AIFCHEM-94546193540 [0,3,0,0,0,0|1,0,0]=4 392 B12R0.5 OCCCCCNCCOCCO AIFCHEM-6503554244 [0,3,0,0,0,0|1,0,0]=4 393 B12R0.133 CCCCC(C)NCC(CC)CC AIFCHEM-94528141130 [0,3,0,0,0,0|1,0,0]=4 394 B12R0.118 CCCCCN(CCO)CCCC AIFCHEM-94551423724 [0,3,0,0,0,0|1,0,0]=4 395 B8R1.8 CCNC1CCOC1 AIFCHEM-94537426578 [2,0,0,1,0,0|1,0,0]=4 396 B8R1.8 CCN[C@@H]1CCOC1 AIFCHEM-94537412237 [2,0,0,1,0,0|1,0,0]=4 397 B8R1.8 CCN[C@H]1CCOC1 AIFCHEM-94585471465 [2,0,0,1,0,0|1,0,0]=4 398 B8R1.9 CCNC[C@@H]1C[C@H]1C AIFCHEM-94537417631 [2,0,0,1,0,0|1,0,0]=4 399 B8R1.10 CCCNC1CCC1 AIFCHEM-94576044199 [2,0,0,1,0,0|1,0,0]=4 400 B10R1.10 CCCN1CCCC(C1)F AIFCHEM-94569022032 [1,1,0,1,0,0|1,0,0]=4 401 B10R1.10 CCCN1CCCC(C1)O AIFCHEM-94569021033 [1,1,0,1,0,0|1,0,0]=4 402 B10R1.10 CCCN1CCC[C@H](C1)O AIFCHEM-94531241660 [1,1,0,1,0,0|1,0,0]=4 403 B10R1.10 CCNC1CCCC(C1)C AIFCHEM-94537424394 [1,1,0,1,0,0|1,0,0]=4 404 B10R1.24 CCCNC[C@H]1C[C@H](C1)O AIFCHEM-94569012239 [1,1,0,1,0,0|1,0,0]=4 405 B10R1.66 CC(C)CNC1CCCC1 AIFCHEM-94541531128 [1,1,0,1,0,0|1,0,0]=4 406 B10R1.73 CC(C)CNC[C@@H]1C[C@H]1C AIFCHEM-94572976968 [1,1,0,1,0,0|1,0,0]=4 407 B10R1.127 CC(C)CCNC1CCC1 AIFCHEM-94576054914 [1,1,0,1,0,0|1,0,0]=4 408 B10R1.133 CCCN1CCCC1(C)C AIFCHEM-94522224602 [1,1,0,1,0,0|1,0,0]=4 409 B10R1.137 CCCC(C)NC1CCC1 AIFCHEM-94606120497 [1,1,0,1,0,0|1,0,0]=4 410 B10R1.137 CCC[C@@H](C)NC1CCC1 AIFCHEM-94576043646 [1,1,0,1,0,0|1,0,0]=4 411 B10R1.137 CCC[C@H](C)NC1CCC1 AIFCHEM-94576050681 [1,1,0,1,0,0|1,0,0]=4 412 B10R1.186 CCCCCN(C)C1CC1 AIFCHEM-94551435824 [1,1,0,1,0,0|1,0,0]=4 413 B10R1.197 CCN1CCCC(CC1)F AIFCHEM-94537414919 [1,1,0,1,0,0|1,0,0]=4 414 B10R1.216 CCNCC1(CCCC1)O AIFCHEM-94537421816 [1,1,0,1,0,0|1,0,0]=4 415 B10R1.1 CCCN1CCC(CC1)C AIFCHEM-94569020796 [1,1,0,1,0,0|1,0,0]=4 416 B10R1.1 CCCN1CCC(CC1)F AIFCHEM-94569020151 [1,1,0,1,0,0|1,0,0]=4 417 B10R1.1 CCCN1CCC(CC1)O AIFCHEM-94546652685 [1,1,0,1,0,0|1,0,0]=4 418 B10R1.151 CCC(O)CNC1CCC1 AIFCHEM-94576047024 [1,1,0,1,0,0|1,0,0]=4 419 B10R1.151 CC[C@@H](O)CNC1CCC1 AIFCHEM-94576047022 [1,1,0,1,0,0|1,0,0]=4 420 B10R1.172 CCC1CN(CCO1)CC AIFCHEM-94537413527 [1,1,0,1,0,0|1,0,0]=4 421 B10R1.172 CC[C@H]1CN(CCO1)CC AIFCHEM-94537415460 [1,1,0,1,0,0|1,0,0]=4 422 B10R2.161 CCN1C2CCC1CC2 AIFCHEM-94537419582 [1,0,0,2,0,0|1,0,0]=4 423 B10R2.99 CCN1CC2CC1CO2 AIFCHEM-94537426942 [1,0,0,2,0,0|1,0,0]=4 424 B10R2.99 CCN1C[C@@H]2C[C@H]1CO2 AIFCHEM-94537420105 [1,0,0,2,0,0|1,0,0]=4 425 B10R2.99 CCN1C[C@H]2C[C@@H]1CO2 AIFCHEM-94537423397 [1,0,0,2,0,0|1,0,0]=4 426 B10R2.136 C1CCC(C1)N2CCC2 AIFCHEM-94541526514 [1,0,0,2,0,0|1,0,0]=4 427 B10R2.75 C[C@@H]1C[C@H]1NCC2CC2 AIFCHEM-94559006861 [1,0,0,2,0,0|1,0,0]=4 428 B12R1.7 CCCCNCC1CCN(C1)C AIFCHEM-94523030609 [0,2,0,1,0,0|1,0,0]=4 429 B12R1.563 CCSCCNC(C)CC1CC1 AIFCHEM-6081822388 [0,2,0,1,0,0|1,0,0]=4 430 B12R1.1392 CC(C)NC1CCCCCCC1 AIFCHEM-94520540460 [0,2,0,1,0,0|1,0,0]=4 431 B12R1.1760 CCCCCNC1CC(C1)(C)C AIFCHEM-94551425750 [0,2,0,1,0,0|1,0,0]=4 432 B12R1.1760 CCCCCNC1CC(C1)(F)F AIFCHEM-94551435427 [0,2,0,1,0,0|1,0,0]=4 433 B12R1.1760 CCCCCN[C@H]1C[C@@](C1)(C)O AIFCHEM-94551427448 [0,2,0,1,0,0|1,0,0]=4 434 B12R1.1760 CCCCNC[C@H]1C[C@@](C1)(C)O AIFCHEM-94523031804 [0,2,0,1,0,0|1,0,0]=4 435 B12R1.28 CCCCCN1CCCC(C1)F AIFCHEM-94551436473 [0,2,0,1,0,0|1,0,0]=4 436 B12R1.28 CCCCCN1CCCC(C1)O AIFCHEM-94580239468 [0,2,0,1,0,0|1,0,0]=4 437 B12R1.28 CCCCCN1CCC[C@@H](C1)O AIFCHEM-94574936392 [0,2,0,1,0,0|1,0,0]=4 438 B12R1.28 CCCCCN1CCC[C@H](C1)O AIFCHEM-94531241210 [0,2,0,1,0,0|1,0,0]=4 439 B12R1.28 CCCCNC1CCCC(C1)O AIFCHEM-94523040709 [0,2,0,1,0,0|1,0,0]=4 440 B12R1.28 CCCCNC1CCOC(C1)C AIFCHEM-94570970010 [0,2,0,1,0,0|1,0,0]=4 441 B12R1.28 CCCCN[C@@H]1CCC[C@@H](C1)O AIFCHEM-94523035189 [0,2,0,1,0,0|1,0,0]=4 442 B12R1.28 CCCCN[C@@H]1CCC[C@H](C1)O AIFCHEM-94523033472 [0,2,0,1,0,0|1,0,0]=4 443 B12R1.28 CCCCN[C@H]1CCC[C@@H](C1)O AIFCHEM-94549104757 [0,2,0,1,0,0|1,0,0]=4 444 B12R1.28 CCCCN[C@H]1CCC[C@H](C1)O AIFCHEM-94523030100 [0,2,0,1,0,0|1,0,0]=4 445 B12R1.28 CSCCCN1CCCC(C1)O AIFCHEM-94546185175 [0,2,0,1,0,0|1,0,0]=4 446 B12R1.28 CSCCCN1CCC[C@@H](C1)O AIFCHEM-94546180263 [0,2,0,1,0,0|1,0,0]=4 447 B12R1.28 CSCCCN1CCC[C@H](C1)O AIFCHEM-94546178996 [0,2,0,1,0,0|1,0,0]=4 448 B12R1.37 CCCCCNCC1CCCC1 AIFCHEM-94551434958 [0,2,0,1,0,0|1,0,0]=4 449 B12R1.37 CCCCCNCC1CCOC1 AIFCHEM-94552823075 [0,2,0,1,0,0|1,0,0]=4 450 B12R1.37 CCCCCNC[C@@H]1CCOC1 AIFCHEM-94551423291 [0,2,0,1,0,0|1,0,0]=4 451 B12R1.37 CCCCCNC[C@H]1CCOC1 AIFCHEM-94551423290 [0,2,0,1,0,0|1,0,0]=4 452 B12R1.37 CCOCCCNC1CCSC1 AIFCHEM-6208174617 [0,2,0,1,0,0|1,0,0]=4 453 B12R1.37 CCOCCNCC1CCCC1 AIFCHEM-94548608442 [0,2,0,1,0,0|1,0,0]=4 454 B12R1.37 CCSCCNCC1CCOC1 AIFCHEM-6054803638 [0,2,0,1,0,0|1,0,0]=4 455 B12R1.51 CCCC(C)NCC1CCOC1 AIFCHEM-94606113233 [0,2,0,1,0,0|1,0,0]=4 456 B12R1.51 CCCC(C)NC[C@@H]1CCOC1 AIFCHEM-94606108499 [0,2,0,1,0,0|1,0,0]=4 457 B12R1.51 CCCC(C)NC[C@H]1CCOC1 AIFCHEM-94606108498 [0,2,0,1,0,0|1,0,0]=4 458 B12R1.51 CCC[C@H](C)NCC1CCOC1 AIFCHEM-5683492052 [0,2,0,1,0,0|1,0,0]=4 459 B12R1.51 COCC(O)CNC1CCCC1 AIFCHEM-94541532995 [0,2,0,1,0,0|1,0,0]=4 460 B12R1.62 CCCCCCCN1CC(C1)O AIFCHEM-94589454820 [0,2,0,1,0,0|1,0,0]=4 461 B12R1.348 CCCCN1CCCC(CC1)F AIFCHEM-94523031232 [0,2,0,1,0,0|1,0,0]=4 462 B12R1.372 CC1CCCC1NCCCCO AIFCHEM-6501324652 [0,2,0,1,0,0|1,0,0]=4 463 B12R1.372 CCCCCNC1CCSC1C AIFCHEM-94552818611 [0,2,0,1,0,0|1,0,0]=4 464 B12R1.372 CCOCCNC1CCSC1C AIFCHEM-94548603670 [0,2,0,1,0,0|1,0,0]=4 465 B12R1.923 CCCCCNCC(O)C1CC1 AIFCHEM-94582137097 [0,2,0,1,0,0|1,0,0]=4 466 B12R1.1419 CCCCNC1CC(C1)COC AIFCHEM-5692780974 [0,2,0,1,0,0|1,0,0]=4 467 B12R1.1996 CCCCCNCC1(COC1)C AIFCHEM-94552823991 [0,2,0,1,0,0|1,0,0]=4 468 B12R1.53 CCCCN(C)CC1CCOC1 AIFCHEM-94523034162 [0,2,0,1,0,0|1,0,0]=4 469 B12R1.321 CCCCN1CCOC[C@@H](C1)O AIFCHEM-94523027809 [0,2,0,1,0,0|1,0,0]=4 470 B12R1.321 CCCCN1CCOC[C@H](C1)O AIFCHEM-94523031229 [0,2,0,1,0,0|1,0,0]=4 471 B12R1.17 CCCC(C)N1CCCC(C1)F AIFCHEM-94606121681 [0,2,0,1,0,0|1,0,0]=4 472 B12R1.17 CCCC(C)N1CCC[C@H](C1)O AIFCHEM-94531241117 [0,2,0,1,0,0|1,0,0]=4 473 B12R1.467 CCCC(C)NC[C@H]1C[C@H](C1)O AIFCHEM-94587192001 [0,2,0,1,0,0|1,0,0]=4 474 B12R1.8 CCCCNCC1COCCO1 AIFCHEM-94523029149 [0,2,0,1,0,0|1,0,0]=4 475 B12R1.8 CCCCNC[C@@H]1COCCO1 AIFCHEM-94523032228 [0,2,0,1,0,0|1,0,0]=4 476 B12R1.8 CCCCNC[C@H]1COCCO1 AIFCHEM-94523032229 [0,2,0,1,0,0|1,0,0]=4 477 B12R1.8 CCNCCCN1CCCCC1 AIFCHEM-94537420637 [0,2,0,1,0,0|1,0,0]=4 478 B12R1.8 CCOCCNC1CCCCC1 AIFCHEM-94601784389 [0,2,0,1,0,0|1,0,0]=4 479 B12R1.8 CCOCCNC1CCCSC1 AIFCHEM-94548604621 [0,2,0,1,0,0|1,0,0]=4 480 B12R1.8 CCOCCNC1CCSCC1 AIFCHEM-94548602698 [0,2,0,1,0,0|1,0,0]=4 481 B12R1.8 OCCCCNC1CCCCC1 AIFCHEM-94601786788 [0,2,0,1,0,0|1,0,0]=4 482 B12R1.8 OCCCCNC1CCSCC1 AIFCHEM-6501550463 [0,2,0,1,0,0|1,0,0]=4 483 B12R1.267 CCCCN[C@@H]1CCCC[C@H]1F AIFCHEM-94523041414 [0,2,0,1,0,0|1,0,0]=4 484 B12R1.267 CCCCN[C@@H]1COCC[C@H]1O AIFCHEM-94604669205 [0,2,0,1,0,0|1,0,0]=4 485 B12R1.267 CCCCN[C@H]1COCC[C@@H]1O AIFCHEM-94523030056 [0,2,0,1,0,0|1,0,0]=4 486 B12R1.374 CCCCN1C[C@@H](OC[C@@H]1C)C AIFCHEM-94530516190 [0,2,0,1,0,0|1,0,0]=4 487 B12R1.374 CCCCN1C[C@@H](OC[C@H]1C)C AIFCHEM-94523032770 [0,2,0,1,0,0|1,0,0]=4 488 B12R1.374 CCCCN1C[C@H](OC[C@H]1C)C AIFCHEM-94523032769 [0,2,0,1,0,0|1,0,0]=4 489 B12R1.382 CCCCN1CCOC(C1)CC AIFCHEM-94523038777 [0,2,0,1,0,0|1,0,0]=4 490 B12R1.382 CCCCN1CCO[C@H](C1)CC AIFCHEM-94523031773 [0,2,0,1,0,0|1,0,0]=4 491 B12R1.463 CC(CCCO)NCC1CCC1 AIFCHEM-94575407762 [0,2,0,1,0,0|1,0,0]=4 492 B12R1.463 C[C@@H](CCCO)NCC1CCC1 AIFCHEM-6431886336 [0,2,0,1,0,0|1,0,0]=4 493 B12R1.463 C[C@H](CCCO)NCC1CCC1 AIFCHEM-6390927856 [0,2,0,1,0,0|1,0,0]=4 494 B12R1.561 CC(NCCCCO)C1CCC1 AIFCHEM-6502174071 [0,2,0,1,0,0|1,0,0]=4 495 B12R1.561 CCCCCNC(C)C1CCC1 AIFCHEM-94522652948 [0,2,0,1,0,0|1,0,0]=4 496 B12R1.561 CCCCOCC(=O)N1CCC1 AIFCHEM-5997457917 [0,2,0,1,0,0|0,0,1]=4 497 B12R1.561 COCCCNC(C)C1CCC1 AIFCHEM-5645068140 [0,2,0,1,0,0|1,0,0]=4 498 B12R1.925 CCCCC(C)N[C@@H]1CC[C@H]1O AIFCHEM-94541395243 [0,2,0,1,0,0|1,0,0]=4 499 B12R1.1758 CCCCCNC1(CCOC1)C AIFCHEM-94536959583 [0,2,0,1,0,0|1,0,0]=4 500 B12R1.385 CCCCN1CC[C@@H]([C@@H](C1)F)O AIFCHEM-94523043897 [0,2,0,1,0,0|1,0,0]=4 501 B12R1.385 CCCCN1CC[C@H]([C@@H](C1)O)F AIFCHEM-94523043896 [0,2,0,1,0,0|1,0,0]=4 502 B12R1.35 CCCCCN(C)C1CCCC1 AIFCHEM-94551436618 [0,2,0,1,0,0|1,0,0]=4 503 B12R1.35 CCCCNC(C)C1CCOC1 AIFCHEM-94523038288 [0,2,0,1,0,0|1,0,0]=4 504 B12R1.35 CSCCCN(C)C1CCCC1 AIFCHEM-94546187179 [0,2,0,1,0,0|1,0,0]=4 505 B12R1.45 CCC1CCCC1NCCSC AIFCHEM-94598922587 [0,2,0,1,0,0|1,0,0]=4 506 B12R1.45 CCCCCN1CCCC1CC AIFCHEM-94551435768 [0,2,0,1,0,0|1,0,0]=4 507 B12R1.45 CCCCCN1CCCC1CO AIFCHEM-94551433600 [0,2,0,1,0,0|1,0,0]=4 508 B12R1.45 CCCCCN1CCC[C@@H]1CO AIFCHEM-94551435957 [0,2,0,1,0,0|1,0,0]=4 509 B12R1.45 CCCCCN1CCC[C@H]1CO AIFCHEM-94551430404 [0,2,0,1,0,0|1,0,0]=4 510 B12R1.45 CCCCNC1CCCC1C#N AIFCHEM-94523041900 [0,2,0,1,0,0|1,0,0]=4 511 B12R1.72 CCC[C@@H](CO)NC1CCCC1 AIFCHEM-94607952972 [0,2,0,1,0,0|1,0,0]=4 512 B12R1.72 CCC[C@H](CO)NC1CCCC1 AIFCHEM-94541531327 [0,2,0,1,0,0|1,0,0]=4 513 B12R1.572 CCCCCNC(CC)C1CC1 AIFCHEM-94551435858 [0,2,0,1,0,0|1,0,0]=4 514 B12R1.16 CCCC(C)N1CCC(CC1)O AIFCHEM-94606119339 [0,2,0,1,0,0|1,0,0]=4 515 B12R1.394 CCC(C)CNC[C@H]1C[C@H](C1)O AIFCHEM-6429033836 [0,2,0,1,0,0|1,0,0]=4 516 B12R1.477 CC(CO)CCNC1CCCC1 AIFCHEM-94541527467 [0,2,0,1,0,0|1,0,0]=4 517 B12R1.477 CCC(C)CNC[C@@H]1CCCO1 AIFCHEM-94573412138 [0,2,0,1,0,0|1,0,0]=4 518 B12R1.477 CCC(C)CNC[C@H]1CCCO1 AIFCHEM-94552575290 [0,2,0,1,0,0|1,0,0]=4 519 B12R1.255 CC(C)CNCCN1CCCC1 AIFCHEM-94572984042 [0,2,0,1,0,0|1,0,0]=4 520 B12R1.459 CCCCNC1CCCC1(F)F AIFCHEM-94523043442 [0,2,0,1,0,0|1,0,0]=4 521 B12R1.459 CSCCCN1CCCC1(C)C AIFCHEM-94546184894 [0,2,0,1,0,0|1,0,0]=4 522 B12R1.1 CCCCNC1CCC(CC1)F AIFCHEM-94525996950 [0,2,0,1,0,0|1,0,0]=4 523 B12R1.27 CCC(=O)NCC1CCCCO1 AIFCHEM-94560329363 [0,2,0,1,0,0|0,0,1]=4 524 B12R1.27 CCC(F)CNC1CCCCC1 AIFCHEM-94601787259 [0,2,0,1,0,0|1,0,0]=4 525 B12R1.27 CCC(F)CNC1CCCOC1 AIFCHEM-5838883310 [0,2,0,1,0,0|1,0,0]=4 526 B12R1.27 CCC(F)CNC1CCOCC1 AIFCHEM-5821669665 [0,2,0,1,0,0|1,0,0]=4 527 B12R1.27 CCC(O)CNC1CCCCC1 AIFCHEM-94601787020 [0,2,0,1,0,0|1,0,0]=4 528 B12R1.27 CC[C@@H](O)CNC1CCCCC1 AIFCHEM-94601787018 [0,2,0,1,0,0|1,0,0]=4 529 B12R1.82 CCC(C)CN1CCCC1CO AIFCHEM-6509509994 [0,2,0,1,0,0|1,0,0]=4 530 B12R1.82 CCC(C)CN1CCC[C@@H]1CO AIFCHEM-94607711352 [0,2,0,1,0,0|1,0,0]=4 531 B12R1.82 CCC(C)CN1CCC[C@H]1CO AIFCHEM-6481702362 [0,2,0,1,0,0|1,0,0]=4 532 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1C AIFCHEM-94589465165 [0,2,0,1,0,0|1,0,0]=4 533 B12R1.272 CCCCCCCNC1CSC1 AIFCHEM-94589451728 [0,2,0,1,0,0|1,0,0]=4 534 B12R1.272 COCCOCCNC1CCC1 AIFCHEM-94576052364 [0,2,0,1,0,0|1,0,0]=4 535 B12R1.272 COCCOCCNC1COC1 AIFCHEM-5794071824 [0,2,0,1,0,0|1,0,0]=4 536 B12R1.272 N#CCCCCCNC1CCC1 AIFCHEM-94576051312 [0,2,0,1,0,0|1,0,0]=4 537 B12R1.272 N#CCCCCNCC1CCC1 AIFCHEM-5788931380 [0,2,0,1,0,0|1,0,0]=4 538 B12R1.272 OCCCCCCNC1CCC1 AIFCHEM-94576053578 [0,2,0,1,0,0|1,0,0]=4 539 B12R1.272 OCCCCCNCC1CCC1 AIFCHEM-94536865589 [0,2,0,1,0,0|1,0,0]=4 540 B12R1.272 OCCOCCCNC1CCC1 AIFCHEM-94576060032 [0,2,0,1,0,0|1,0,0]=4 541 B12R1.356 CC(CO)CCNCC1CCC1 AIFCHEM-6388172473 [0,2,0,1,0,0|1,0,0]=4 542 B12R1.821 OCCCCCNCC1(CC1)O AIFCHEM-6416576311 [0,2,0,1,0,0|1,0,0]=4 543 B12R1.1748 CCC(C)CN1CCCOCC1 AIFCHEM-5789546578 [0,2,0,1,0,0|1,0,0]=4 544 B12R1.337 CCCCN1CC[C@@H](C1)C(C)C AIFCHEM-94523033929 [0,2,0,1,0,0|1,0,0]=4 545 B12R1.1396 CC(C)C(O)CNCC1CCC1 AIFCHEM-6393164271 [0,2,0,1,0,0|1,0,0]=4 546 B12R1.482 CCCCCC(C)N[C@@H]1C[C@H]1C AIFCHEM-94564415376 [0,2,0,1,0,0|1,0,0]=4 547 B12R1.528 CCCCCN1CCC(C1)(C)C AIFCHEM-94551437034 [0,2,0,1,0,0|1,0,0]=4 548 B12R1.528 CCCCCN1CCC(C1)(C)F AIFCHEM-94551426932 [0,2,0,1,0,0|1,0,0]=4 549 B12R1.528 CCCCCN1CCC(C1)(C)O AIFCHEM-94570986013 [0,2,0,1,0,0|1,0,0]=4 550 B12R1.528 CCCCCN1CC[C@@](C1)(C)O AIFCHEM-94558110594 [0,2,0,1,0,0|1,0,0]=4 551 B12R1.528 CCCCCN1CC[C@](C1)(C)O AIFCHEM-94551429202 [0,2,0,1,0,0|1,0,0]=4 552 B12R1.551 CC(C)CCC(C)NC1CCC1 AIFCHEM-94561172957 [0,2,0,1,0,0|1,0,0]=4 553 B12R1.551 CC(C)CCN(C)CC1CCC1 AIFCHEM-6180029241 [0,2,0,1,0,0|1,0,0]=4 554 B12R1.552 CC(C)CCC(C)NCC1CC1 AIFCHEM-94592468892 [0,2,0,1,0,0|1,0,0]=4 555 B12R1.26 CCC(F)CNC1CCC(C1)C AIFCHEM-94545917728 [0,2,0,1,0,0|1,0,0]=4 556 B12R1.252 CC(C)CCNC1CCOCC1 AIFCHEM-6121241576 [0,2,0,1,0,0|1,0,0]=4 557 B12R1.1357 CC(C)CCNC(C)C1CCC1 AIFCHEM-6120820496 [0,2,0,1,0,0|1,0,0]=4 558 B12R1.1359 CC(C)CCNC(C)CC1CC1 AIFCHEM-6183964682 [0,2,0,1,0,0|1,0,0]=4 559 B12R1.375 CCCCCCCCNC1CC1 AIFCHEM-94573313148 [0,2,0,1,0,0|1,0,0]=4 560 B12R1.375 CCCCCCCNCC1CC1 AIFCHEM-94589462287 [0,2,0,1,0,0|1,0,0]=4 561 B12R1.375 COCCOCCNCC1CC1 AIFCHEM-5794003876 [0,2,0,1,0,0|1,0,0]=4 562 B12R1.375 OCCCCCNCCC1CC1 AIFCHEM-5716281516 [0,2,0,1,0,0|1,0,0]=4 563 B12R1.384 CCCCN1CCOCC1(C)C AIFCHEM-94523039600 [0,2,0,1,0,0|1,0,0]=4 564 B12R1.129 CC1CCCN1CCC(C)(C)C AIFCHEM-94592635365 [0,2,0,1,0,0|1,0,0]=4 565 B12R1.129 C[C@@H]1CCCN1CCC(C)(C)C AIFCHEM-94548511216 [0,2,0,1,0,0|1,0,0]=4 566 B12R1.129 C[C@H]1CCCN1CCC(C)(C)C AIFCHEM-94569864054 [0,2,0,1,0,0|1,0,0]=4 567 B12R1.146 C[C@@H]1C[C@H]1CNCCC(C)(C)C AIFCHEM-94599416518 [0,2,0,1,0,0|1,0,0]=4 568 B12R1.547 CC(C)(C)CCNCCC1CC1 AIFCHEM-5784159170 [0,2,0,1,0,0|1,0,0]=4 569 B12R1.121 CCCNC1CCOCC1OC AIFCHEM-94521370629 [0,2,0,1,0,0|1,0,0]=4 570 B12R1.169 CCCN1CCOCC1COC AIFCHEM-94569024670 [0,2,0,1,0,0|0,0,0]=3 571 B12R1.169 CCCN1CCOC[C@@H]1COC AIFCHEM-94587073892 [0,2,0,1,0,0|0,0,0]=3 572 B12R1.169 CCCN1CCOC[C@H]1COC AIFCHEM-94569015580 [0,2,0,1,0,0|0,0,0]=3 573 B12R1.320 CCCCN1CCC[C@@H]1COC AIFCHEM-94523042119 [0,2,0,1,0,0|1,0,0]=4 574 B12R1.320 CCCCN1CCC[C@H]1COC AIFCHEM-94523040121 [0,2,0,1,0,0|1,0,0]=4 575 B12R1.483 CCCCCN(C)CC1CCC1 AIFCHEM-6170005315 [0,2,0,1,0,0|1,0,0]=4 576 B12R1.483 CN(CCCCO)CC1CCC1 AIFCHEM-6474030346 [0,2,0,1,0,0|1,0,0]=4 577 B12R1.1631 CCCCN1C(CCCC1C)C AIFCHEM-94544326566 [0,2,0,1,0,0|1,0,0]=4 578 B12R1.1631 CCCCN1[C@@H](CCC[C@@H]1C)C AIFCHEM-94552479588 [0,2,0,1,0,0|1,0,0]=4 579 B12R1.1997 CCCNCC1(CCCCC1)O AIFCHEM-94524046900 [0,2,0,1,0,0|1,0,0]=4 580 B12R1.70 CCCCN1CCC(CC1)(F)F AIFCHEM-94523031842 [0,2,0,1,0,0|1,0,0]=4 581 B12R1.71 CCCCN1CCC(CC1)SC AIFCHEM-94523034425 [0,2,0,1,0,0|1,0,0]=4 582 B12R1.908 CCC(F)CNC(C)C1CCC1 AIFCHEM-5869980232 [0,2,0,1,0,0|1,0,0]=4 583 B12R1.910 CCC(F)CNC(C)CC1CC1 AIFCHEM-5859195295 [0,2,0,1,0,0|1,0,0]=4 584 B12R1.1677 CCC(C)CNC1(CCCC1)C AIFCHEM-5948532322 [0,2,0,1,0,0|1,0,0]=4 585 B12R1.297 CCC(CC)CNC1CCCC1 AIFCHEM-94541529313 [0,2,0,1,0,0|1,0,0]=4 586 B12R1.304 CCC(C)CN(C)CC1CCC1 AIFCHEM-6171831864 [0,2,0,1,0,0|1,0,0]=4 587 B12R1.501 CCCCN(CC)CC1CCC1 AIFCHEM-5917002601 [0,2,0,1,0,0|1,0,0]=4 588 B12R1.501 CCCC[C@@H](CO)NC1CCC1 AIFCHEM-94576057855 [0,2,0,1,0,0|1,0,0]=4 589 B12R1.501 CCCC[C@H](CO)NC1CCC1 AIFCHEM-94576057854 [0,2,0,1,0,0|1,0,0]=4 590 B12R1.3206 CCCCNC1(CCCC1)CO AIFCHEM-94523027909 [0,2,0,1,0,0|1,0,0]=4 591 B12R2.2 C1CCC(C1)N2CCCOC2 AIFCHEM-94541521337 [0,1,0,2,0,0|1,0,0]=4 592 B12R2.10 C[C@@H]1CCCN1C2CCSC2 AIFCHEM-94548508062 [0,1,0,2,0,0|1,0,0]=4 593 B12R2.2056 C1CC(C1)CNC2CCCC2 AIFCHEM-94536862386 [0,1,0,2,0,0|1,0,0]=4 594 B12R2.2056 C1CCC(C1)CNC2CCC2 AIFCHEM-5756132284 [0,1,0,2,0,0|1,0,0]=4 595 B12R2.2336 CCCNC1CC2CCC1C2 AIFCHEM-94521369815 [0,1,0,2,0,0|1,0,0]=4 596 B12R2.2336 CCCN[C@@H]1C[C@H]2CC[C@@H]1C2 AIFCHEM-94578175032 [0,1,0,2,0,0|1,0,0]=4 597 B12R2.2336 CCCN[C@H]1C[C@@H]2CC[C@H]1C2 AIFCHEM-94569018193 [0,1,0,2,0,0|1,0,0]=4 598 B12R2.2383 C1CC(CO1)CNCC2CC2 AIFCHEM-94592474243 [0,1,0,2,0,0|1,0,0]=4 599 B12R2.2383 C1CO[C@@H](C1)CNCC2CC2 AIFCHEM-94573407110 [0,1,0,2,0,0|1,0,0]=4 600 B12R2.2383 C1CO[C@H](C1)CNCC2CC2 AIFCHEM-94552570262 [0,1,0,2,0,0|1,0,0]=4 601 B12R2.2383 C1C[C@@H](CO1)CNCC2CC2 AIFCHEM-6066237169 [0,1,0,2,0,0|1,0,0]=4 602 B12R2.2383 C1C[C@H](CO1)CNCC2CC2 AIFCHEM-94530317345 [0,1,0,2,0,0|1,0,0]=4 603 B12R2.1286 FC1CCCN(C1)CC2CC2 AIFCHEM-5778937829 [0,1,0,2,0,0|1,0,0]=4 604 B12R2.236 C[C@@H]1C[C@H]1CNC2CC(C2)O AIFCHEM-94599415094 [0,1,0,2,0,0|1,0,0]=4 605 B12R2.211 CC1OCCC1N[C@@H]2C[C@H]2C AIFCHEM-94559008567 [0,1,0,2,0,0|1,0,0]=4 606 B12R2.1114 CC1SCCN1CC2CCC2 AIFCHEM-94597268031 [0,1,0,2,0,0|1,0,0]=4 607 B12R2.1114 OC1CCCC1NC2CCC2 AIFCHEM-94576059972 [0,1,0,2,0,0|1,0,0]=4 608 B12R2.1114 O[C@@H]1CCC[C@@H]1NC2CCC2 AIFCHEM-94576047161 [0,1,0,2,0,0|1,0,0]=4 609 B12R2.1114 O[C@@H]1CCC[C@H]1NC2CCC2 AIFCHEM-94569967038 [0,1,0,2,0,0|1,0,0]=4 610 B12R2.1114 O[C@H]1CCC[C@@H]1NC2CCC2 AIFCHEM-94576056642 [0,1,0,2,0,0|1,0,0]=4 611 B12R2.1114 O[C@H]1CCC[C@H]1NC2CCC2 AIFCHEM-94584443591 [0,1,0,2,0,0|1,0,0]=4 612 B12R2.419 CC(NC[C@@H]1C[C@H]1C)C2CC2 AIFCHEM-94599418999 [0,1,0,2,0,0|1,0,0]=4 613 B12R2.5582 CC1(CCC1)CNC2CCC2 AIFCHEM-94576046051 [0,1,0,2,0,0|1,0,0]=4 614 B12R2.4794 OC(CNCC1CC1)C2CC2 AIFCHEM-94582138279 [0,1,0,2,0,0|1,0,0]=4 615 B12R2.6 OC1CCN(C1)C2CCCC2 AIFCHEM-94541531826 [0,1,0,2,0,0|1,0,0]=4 616 B12R2.6 O[C@@H]1CCN(C1)C2CCCC2 AIFCHEM-94541525375 [0,1,0,2,0,0|1,0,0]=4 617 B12R2.6 O[C@H]1CCN(C1)C2CCCC2 AIFCHEM-94554909616 [0,1,0,2,0,0|1,0,0]=4 618 B12R2.2301 CC1CCC(C1)NC2CCC2 AIFCHEM-94537764100 [0,1,0,2,0,0|1,0,0]=4 619 B12R2.11 C[C@@H]1C[C@H]1NC2CCCSC2 AIFCHEM-94559007514 [0,1,0,2,0,0|1,0,0]=4 620 B12R2.324 CCC1CCCN1CC2CC2 AIFCHEM-5850822849 [0,1,0,2,0,0|1,0,0]=4 621 B12R2.517 CC1COCCN1C2CCC2 AIFCHEM-94576049791 [0,1,0,2,0,0|1,0,0]=4 622 B12R2.517 C[C@@H]1COCCN1C2CCC2 AIFCHEM-94576059821 [0,1,0,2,0,0|1,0,0]=4 623 B12R2.517 C[C@H]1COCCN1C2CCC2 AIFCHEM-94576052839 [0,1,0,2,0,0|1,0,0]=4 624 B12R2.23 C[C@@H]1CCN1C2CCCOC2 AIFCHEM-6261027778 [0,1,0,2,0,0|1,0,0]=4 625 B12R2.23 C[C@H]1CCN1C2CCCOC2 AIFCHEM-5744396489 [0,1,0,2,0,0|1,0,0]=4 626 B12R2.2058 C1CC(C1)NC2CCCOC2 AIFCHEM-5738114547 [0,1,0,2,0,0|1,0,0]=4 627 B12R2.2058 C1CC(C1)NC2CCOCC2 AIFCHEM-94574392266 [0,1,0,2,0,0|1,0,0]=4 628 B12R2.2058 C1CC(C1)NC2CCSCC2 AIFCHEM-5715277648 [0,1,0,2,0,0|1,0,0]=4 629 B12R2.2058 C1CC(C1)N[C@@H]2CCCOC2 AIFCHEM-94576046695 [0,1,0,2,0,0|1,0,0]=4 630 B12R2.2058 C1CC(C1)N[C@H]2CCCOC2 AIFCHEM-94576046058 [0,1,0,2,0,0|1,0,0]=4 631 B12R2.2058 C1CCC(CC1)NC2CCC2 AIFCHEM-94576050167 [0,1,0,2,0,0|1,0,0]=4 632 B12R2.165 CCCN1C2CCCC1CC2 AIFCHEM-94569021404 [0,1,0,2,0,0|1,0,0]=4 633 B12R2.3807 C1CC(C1)N2CCCOCC2 AIFCHEM-94553861891 [0,1,0,2,0,0|1,0,0]=4 634 B12R2.2302 OC1CCN(CC1)C2CCC2 AIFCHEM-94576054864 [0,1,0,2,0,0|1,0,0]=4 635 B12R2.2399 OC1(CC1)CNC2CCCC2 AIFCHEM-94541530767 [0,1,0,2,0,0|1,0,0]=4 636 B12R2.1619 CCC(C)CN1CC2CC2C1 AIFCHEM-94584685724 [0,1,0,2,0,0|1,0,0]=4 637 B12R2.3281 CC(NC1CCC1)C2CCC2 AIFCHEM-94537765283 [0,1,0,2,0,0|1,0,0]=4 638 B12R2.3281 CN(CC1CCC1)C2CCC2 AIFCHEM-5755887147 [0,1,0,2,0,0|1,0,0]=4 639 B12R2.5621 CC1(CCCC1)NC2CCC2 AIFCHEM-94576043710 [0,1,0,2,0,0|1,0,0]=4 640 B12R2.3280 CC(NCC1CC1)C2CCC2 AIFCHEM-94592471680 [0,1,0,2,0,0|1,0,0]=4 641 B12R2.1309 CC(CC1CC1)N2CC[C@@H]2C AIFCHEM-5740171149 [0,1,0,2,0,0|1,0,0]=4 642 B12R2.1309 CC(CC1CC1)N2CC[C@H]2C AIFCHEM-6230756055 [0,1,0,2,0,0|1,0,0]=4 643 B12R2.1309 CC1CCN1C(C)CC2CC2 AIFCHEM-6182785605 [0,1,0,2,0,0|1,0,0]=4 644 B12R2.3003 CC(C1CCC1)N2CC[C@@H]2C AIFCHEM-5752113622 [0,1,0,2,0,0|1,0,0]=4 645 B12R2.3003 CC(C1CCC1)N2CC[C@H]2C AIFCHEM-6275168804 [0,1,0,2,0,0|1,0,0]=4 646 B12R2.3003 CC1CCN1C(C)C2CCC2 AIFCHEM-6087117664 [0,1,0,2,0,0|1,0,0]=4