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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