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401 SMILES Strings for Retinoic acid receptor alpha

Compound NameSMILES String
BDBM31882 CC1(C)CCC(C)(C)c2cc(ccc12)[C@H](O)c1ccc2cc(ccc2c1)C(O)=O |r|
BDBM31883 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
BDBM31884 CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)c1ccc2cc(ccc2c1)C(O)=O |r|
BDBM31885 CC1(C)CCC(C)(C)c2cc(ccc12)C(O)c1ccc2cc(ccc2c1)C(O)=O
BDBM31886 CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc2cc(ccc2c1)C(O)=O
BDBM31888 CC1(C)CCC(C)(C)c2cc(ccc12)C(O)\C=C\c1ccc(cc1)C(O)=O
BDBM31892 C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
BDBM53426 CC1Oc2cc3oc4c(O)c5OC(C)(C)C=Cc5cc4c(=O)c3c(O)c2C1(C)C |c:15|
BDBM50452047 C[C@H](NC(=O)[C@H](Cc1ccccc1)NP(O)(O)=O)C(=O)NCC(N)=O |r|
BDBM50029774 Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8|
BDBM50032218 C\C(=C/c1ccc(o1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
BDBM50032219 C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
BDBM50032220 C\C(=C/c1ccc(s1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
BDBM50032221 C\C(=C/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
BDBM50032222 C\C(=C/c1ccc(cn1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
BDBM50032223 C\C(=C/c1csc(c1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
BDBM50032224 C\C(=C/c1cccc(c1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
BDBM50032225 C\C(=C/c1cc(cs1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
BDBM50033066 CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
BDBM50033079 CC1(C)CCC(C)(C)c2cc(ccc12)C(=C)c1ccc(cc1)C(O)=O
BDBM50032665 Cc1cc2c(CCCC2(C)C)cc1C(=C)c1ccc(cc1)C(O)=O
BDBM50032667 Cc1cc2c(cc1C(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50032671 Cc1cc2c(cc1C1(CC1)c1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50032672 Cc1cc2CCCC(C)(C)c2cc1C(=C)c1ccc(cc1)C(O)=O
BDBM50032675 Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50031457 CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C(\C\C(C)=C\C)=C/C(O)=O |c:2|
BDBM50031458 CCC(C)\C=C\C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C(O)=O |c:10|
BDBM50031459 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O |c:4|
BDBM50031460 CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C\C(O)=O |c:2|
BDBM50035477 CC(C)C1=C(C)CCC\C1=C/C(/C)=C/C=C/C(/C)=C/C(O)=O |c:3|
BDBM50040010 CCc1cc2c(cc1C(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50040011 CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(Br)cc12
BDBM50040012 CC1(C)CCC(C)(C)c2cc(C(=C)c3ccc(cc3)C(O)=O)c(Br)cc12
BDBM50040013 CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(Cl)cc12
BDBM50040014 CC1(C)CCC(C)(C)c2cc(C(=C)c3ccc(cc3)C(O)=O)c(F)cc12
BDBM50040015 COc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50040016 CC1(C)CCC(C)(C)c2cc(C(=C)c3ccc(cc3)C(O)=O)c(Cl)cc12
BDBM50040017 CCc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50040018 CC(C)c1cc2c(cc1C(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50040019 CCCc1cc2c(cc1C(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50040020 CCCc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50040021 CC(C)c1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50040022 CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(O)cc12
BDBM50040023 CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(cc3)C(O)=O)c(F)cc12
BDBM50040024 CC1(C)CCC(C)(C)c2cc(C(=C)c3ccc(cc3)C(O)=O)c(O)cc12
BDBM50040025 COc1cc2c(cc1C(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50045266 C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2SCCC(C)(C)c2c1
BDBM50045267 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/c1ccc(cc1)C(O)=O |c:4|
BDBM50045268 C\C(=C\c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
BDBM50045269 C\C(\C=C\C1=C(C)CCCC1(C)C)=C\c1ccc(cc1)C(O)=O |c:4|
BDBM50045271 C\C(=C/c1ccc2SCCC(C)(C)c2c1)c1ccc(cc1)C(O)=O
BDBM50045272 C\C(CCC1=C(C)CCCC1(C)C)=C/c1ccc(cc1)C(O)=O |c:4|
BDBM50045273 C\C(=C\c1ccc(cc1)C(O)=O)c1ccc2SCCC(C)(C)c2c1
BDBM50045274 C\C(=C\c1ccc2SCCC(C)(C)c2c1)c1ccc(cc1)C(O)=O
BDBM50045276 C\C(=C/c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cc1)C(O)=O
BDBM50044098 CC(C)c1cc2c(cc1\C(C)=C\c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50044099 CCc1cc2c(cc1\C(C)=C\c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50048276 C\C(=C/c1ccc(cc1)C(O)=O)c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:26:25:28:20.21.22,26:21:28:27.25.24,THB:24:25:20:28.23.22,24:23:20:27.25.26|
BDBM50048277 COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)C(\C)=C\c1ccc(cc1)C(O)=O |TLB:15:14:17:9.10.11,15:10:17:16.14.13,THB:13:14:9:17.12.11,13:12:9:16.14.15|
BDBM50048278 OC(=O)c1ccc(\C=C\c2ccc(O)c(c2)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:20:17:24.22.23,21:22:17:25.20.19|
BDBM50048279 COc1ccc(cc1C(C)(C)C)-c1ccc2cc(ccc2c1)C(O)=O
BDBM50048280 COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
BDBM50048281 CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccc2cc(ccc2c1)C(O)=O
BDBM50048282 OCC(O)c1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:13:14:18:11.12.17,17:12:19:18.16.15,17:16:19:11.12.13,THB:13:12:18:19.14.15|
BDBM50048283 OCc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:11:12:16:9.10.15,15:14:17:9.10.11,15:10:17:16.14.13,THB:11:10:16:17.12.13|
BDBM50048284 OCCCc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:13:14:18:11.12.17,17:16:19:11.12.13,17:12:19:18.16.15,THB:13:12:18:19.14.15|
BDBM50048285 COc1ccc(cc1C1(C)CCCCC1)C(\C)=C\c1ccc(cc1)C(O)=O
BDBM50048286 CCCCCCOc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:16:17:21:14.15.20,20:19:22:14.15.16,20:15:22:21.19.18,THB:16:15:21:22.17.18|
BDBM50048287 CC1(CCCCC1)c1cc(ccc1O)-c1ccc2cc(ccc2c1)C(O)=O
BDBM50048288 OC(=O)c1ccc2cc(ccc2c1)-c1ccc(C(O)=O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:29:24:31:30.28.27,29:28:31:23.24.25,THB:27:26:23:30.28.29,27:28:23:31.26.25|
BDBM50048289 OCC(O)Cc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:14:15:19:12.13.18,THB:14:13:19:20.15.16,16:15:12:19.17.18,16:17:12:20.15.14|
BDBM50048290 C\C(=C/c1ccc(cc1)C(O)=O)c1ccc(O)c(c1)C(C)(C)C
BDBM50048291 OC(=O)c1ccc2cc(ccc2c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:18:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
BDBM50048292 COc1ccc(cc1C1(C)CCCCC1)-c1ccc2cc(ccc2c1)C(O)=O
BDBM50048293 C\C(=C/c1ccc(cc1)C(O)=O)c1ccc(O)c(c1)C1(C)CCCCC1
BDBM50048294 CC(C)(C)c1cc(ccc1O)-c1ccc2cc(ccc2c1)C(O)=O
BDBM50048295 COc1ccc(cc1C(C)(C)C)C(\C)=C\c1ccc(cc1)C(O)=O
BDBM50048296 CC1(C)CCC(C)(C)c2cc3cc(ccc3cc12)-c1ccc(cc1)C(O)=O
BDBM50048297 OCC(O)COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:15:16:20:13.14.19,THB:15:14:20:21.16.17,17:16:13:20.18.19,17:18:13:21.16.15|
BDBM50048298 CC1(C)CCOc2ccc(cc12)-c1ccc2cc(ccc2c1)C(O)=O
BDBM50052033 C\C(\C=C\C=C(/C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=C/C(O)=O
BDBM50052412 CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
BDBM50052413 CC1(C)CCC(C)(C)c2c(Br)c(O)c(cc12)C(=O)Nc1ccc(C(O)=O)c(F)c1
BDBM50052414 CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
BDBM50052957 Cc1cc2c(cc1S(=O)(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50052958 Cc1cc2c(cc1Sc1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50052959 Cc1cc2c(cc1S(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50052960 Cc1cc2c(cc1Sc1ncc(s1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50052961 CC1(C)CCC(C)(C)c2cc(Sc3ccc(cc3)C(O)=O)ccc12
BDBM50053093 C\C(\C=C\C=C(/C)\C=C1/CCCC=C1)=C/C(O)=O |c:12|
BDBM50053094 C\C(\C=C\C=C(/C)\C=C1/CCCC(C)=C1C)=C/C(O)=O |c:13|
BDBM50052588 COc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C
BDBM50052589 CCCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C
BDBM50052590 CCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C
BDBM50051551 CC1(C)CCC(C)(C)c2cc(ccc12)C(N=N)c1ccc2cc(ccc2c1)C(O)=O
BDBM50051552 CC1(C)CCC(C)(C)c2cc(ccc12)C(N=O)c1ccc2cc(ccc2c1)C(O)=O
BDBM50051553 CC1(C)CCC(C)(C)c2cc(ccc12)C(=C)c1ccc2cc(ccc2c1)C(O)=O
BDBM50051554 [#6]C1([#6])[#6]-[#6]C([#6])([#6])c2cc(ccc12)-[#6](=[#6](\F)F)\c1ccc2cc(ccc2c1)-[#6](-[#8])=O
BDBM50051555 CC1(C)CCC(C)(C)c2cc(ccc12)C(=N\NS(C)(=O)=O)\c1ccc2cc(ccc2c1)C(O)=O
BDBM50051556 COC(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc2cc(ccc2c1)C(O)=O
BDBM50055112 CC1(C)CC=C(c2cccs2)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O |t:4|
BDBM50055113 CC1(C)CC=C(c2cccs2)c2cc(ccc12)C(=O)Oc1ccc(cc1)C(O)=O |t:4|
BDBM50055114 CC1(C)CC=C(c2cccs2)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O |t:4|
BDBM50061615 CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccc4ccccc4c12)C(C)(C)CCC3(C)C |t:9|
BDBM50061616 CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccccc12)C(C)(C)CCC3(C)C |t:9|
BDBM50061617 CC1(C)CCC(C)(C)c2cc3c(Oc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12 |c:20|
BDBM50061618 CC1(C)CCC(C)(C)c2cc3c(Sc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12 |c:20|
BDBM50061619 CC1(C)CCC(C)(C)c2cc3c(Cc4ccccc4N=C3c3ccc(cc3)C(O)=O)cc12 |c:20|
BDBM50061621 CC1c2ccccc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:9|
BDBM50061625 CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12
BDBM50066898 C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2OCC(C)(C)c2c1
BDBM50066899 C\C(\C=C\C=C(/C)c1ccc2OCCC(C)(C)c2c1)=C/C(O)=O
BDBM50066900 C\C(\C=C\C=C(/C)c1ccc2SCCC(C)(C)c2c1)=C/C(O)=O
BDBM50066901 C\C(\C=C\C=C(/C)c1ccc2SCC(C)(C)c2c1)=C/C(O)=O
BDBM50066902 C\C(\C=C\C=C(/C)c1ccc2OCC(C)(C)c2c1)=C/C(O)=O
BDBM50066904 COC(=O)c1ccc(\C=C(/C)c2ccc3OCCC(C)(C)c3c2)cc1
BDBM50066905 C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2OCCC(C)(C)c2c1
BDBM50066906 COC(=O)c1ccc(\C=C(/C)c2ccc3SCCC(C)(C)c3c2)cc1
BDBM50066907 C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2SCC(C)(C)c2c1
BDBM50064250 C\C(\C=C\C=C(/C)\C=C1/CCCc2ccccc12)=C/C(O)=O
BDBM50064251 C\C(\C=C\C=C(/C)\C=C1/CCCc2ccccc12)=C\C(O)=O
BDBM50064252 CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C\C=C\C(\C)=C/C(O)=O |c:2|
BDBM50064253 C\C(\C=C/C=C(/C)\C=C1/CCCc2ccccc12)=C/C(O)=O
BDBM50064254 C\C(\C=C/C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
BDBM50064255 CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C/C=C\C(\C)=C\C(O)=O |c:2|
BDBM50075342 CC1(C)CC=C(c2ccc(F)cc2)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O |t:4|
BDBM50075343 CC(C)c1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:10|
BDBM50075344 CC1(C)CC=C(c2ccc(cc2)C(F)(F)F)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O |t:4|
BDBM50075345 CC1(C)CC=C(c2ccccc2)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O |t:4|
BDBM50075346 COc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:9|
BDBM50075347 Cc1cc(C)cc(c1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:9|
BDBM50075348 CC1(C)CC=C(c2cccc(O)c2)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O |t:4|
BDBM50075349 CCc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:9|
BDBM50075350 CC1(C)CC=C(c2ccc(O)cc2)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O |t:4|
BDBM50075351 Cc1ccccc1C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8|
BDBM50075352 CC1(C)CC=C(c2ccc(Cl)cc2)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O |t:4|
BDBM50075353 CC1(C)CC=C(c2ccc(cc2)C#N)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O |t:4|
BDBM50075354 Cc1cccc(c1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:8|
BDBM50075355 CC(C)(C)c1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O |t:11|
BDBM50075366 C\C(\C=C\c1ccccc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O |c:13|
BDBM50075367 C\C(\C=C\c1ccoc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O |c:12|
BDBM50075876 Cc1ccc(s1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O |t:7|
BDBM50075877 Cc1ccc(s1)C1=CCC(C)(C)c2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O |t:7|
BDBM50075878 Cc1ccc(cc1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O |t:8|
BDBM50075879 Cc1ccc(cc1)C1=CC(C)(C)Sc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O |t:8|
BDBM50075880 Cc1ccc(cc1)C1=CCC(C)(C)c2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O |t:8|
BDBM50075881 Cc1ccc(s1)C1=CC(C)(C)Sc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O |t:7|
BDBM50074295 CO\N=C(/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
BDBM50074300 Cc1cc2c(cc1C(N=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50082041 CC1(C)CCOc2ccc(cc12)C(=O)Oc1ccc(C=NNC(N)=S)cc1 |w:20.22|
BDBM50082042 COC(=O)c1ccc(cc1)C(=O)Nc1ccc2SC(C)(C)CC(C)(C)c2c1
BDBM50080524 CCOC(=O)c1ccc(OC(=O)c2ccc3N(CCC(C)(C)c3c2)C(C)C)cc1
BDBM50080525 CCOC(=O)c1ccc(OC(=O)c2cc3c(cc2C)N(C)CCC3(C)C)cc1
BDBM50080526 CCOC(=O)c1ccc(OC(=O)c2ccc3N(C)CCC(C)(C)c3c2)cc1
BDBM50084829 CC1(C)CCC(C)(C)c2nc(cnc12)-c1ccc(s1)-c1ccc(cc1)C(O)=O
BDBM50084830 CC1(C)CCC(C)(C)c2nc(cnc12)-c1csc(n1)-c1ccc(cc1)C(O)=O
BDBM50084831 CC1(C)CCC(C)(C)c2nc(cnc12)-c1ccc(o1)-c1ccc(cc1)C(O)=O
BDBM50084832 CC1(C)CCC(C)(C)c2nc(cnc12)-c1cc(cs1)-c1ccc(cc1)C(O)=O
BDBM50084833 CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccc([nH]1)-c1ccc(cc1)C(O)=O
BDBM50084834 CC1(C)CCC(C)(C)c2nc(cnc12)-c1cc(co1)-c1ccc(cc1)C(O)=O
BDBM50084835 CC1(C)CCC(C)(C)c2nc(cnc12)-c1ccc([nH]1)-c1ccc(cc1)C(O)=O
BDBM50084836 CC1(C)CCC(C)(C)c2nc(cnc12)C(=O)Nc1ccc(cc1)C(O)=O
BDBM50083046 Cc1cc2c(cc1-c1cc(no1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50083047 C\C(=C\c1cc(no1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
BDBM50083048 C\C(=C/c1cc(no1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
BDBM50083049 CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(no1)C(O)=O
BDBM50083050 CC1CC(C)(C)c2cc(C)c(cc2C1(C)C)-c1cc(no1)C(O)=O
BDBM50091698 C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(O)=O |c:4|
BDBM50091699 C\C(\C=C\C1=C(C)C(CCC1(C)C)n1cnnc1)=C/C=C/C(/C)=C/C(O)=O |c:4|
BDBM50091700 C\C(\C=C\C1=C(C)C(CCC1(C)C)n1cncn1)=C/C=C/C(/C)=C/C(O)=O |c:4|
BDBM50097819 CC1(C)CCC(C)(C)c2cc(C\C=C\c3ccc(cc3)C(O)=O)ccc12
BDBM50097820 Cc1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O |c:14,t:8|
BDBM50097821 CCc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:9|
BDBM50097822 CC(C)(C)c1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:11|
BDBM50097823 Cc1ccc(cc1)C1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:8|
BDBM50097824 CC1=C(\C=C\C#Cc2ccc(cc2)C(O)=O)C(C)(C)CCC1 |c:1|
BDBM50097825 CC(C)(C)c1ccc(cc1)C1=CCC(C)(C)C=C1\C=C\C#Cc1ccc(cc1)C(O)=O |c:17,t:11|
BDBM50101444 C\C(\C=C\C1CC1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
BDBM50101445 C\C(\C=C\[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
BDBM50101446 C\C(\C=C\[C@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
BDBM50099474 CC(C)c1cccc2c(cc(nc12)-c1ccc([nH]1)-c1ccc(cc1)C(O)=O)-c1ccccc1
BDBM50122348 C\C(\C=C\CC1(CC1)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=C/C(O)=O
BDBM50122349 C\C(\C=C\CC1(CC1)c1cc(cc2c1CCC2(C)C)C(C)(C)C)=C/C(O)=O
BDBM50122350 C\C(\C=C\CC1(CCCC1)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
BDBM50122351 C\C(\C=C\CC1(CC1)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
BDBM50122352 C\C(\C=C\CC1(CC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
BDBM50120065 CC1(C)CCC(C)(C)c2c(Cl)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
BDBM50120066 CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(C(O)=O)c(F)c1
BDBM50120063 CC1(C)CCC(C)(C)c2cc(C(=O)Nc3cc(F)c(C(O)=O)c(F)c3)c(O)cc12
BDBM50120064 CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
BDBM50129720 C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O
BDBM50132580 C\C(\C=C\C(\F)=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O
BDBM50135450 CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccccc1F
BDBM50135451 CCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(F)(F)C(F)(F)F)C(C)C
BDBM50135453 CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1cccs1
BDBM50135454 CCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(F)(F)C(F)(F)F)C(C)C
BDBM50135455 CCCOc1c(cc(cc1C(F)(F)C(F)(F)F)C(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O
BDBM50135456 CCCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(F)(F)C(F)(F)F)C(C)C
BDBM50135457 CCC(C)(C)c1cc(\C(C)=C(\F)/C=C/C(/C)=C/C(O)=O)c(OCC(F)F)c(c1)C(C)(C)CC
BDBM50135458 C\C(\C=C\C(\F)=C(\C)c1cc(cc(c1OCC(F)(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O
BDBM50135459 CCCCOc1c(cc(cc1\C(C)=C(\F)/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C
BDBM50135460 CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccc(F)cc1
BDBM50135461 CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1cc(F)cc(F)c1
BDBM50135462 CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1cccc(F)c1
BDBM50135463 CC(C)c1cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c(OCC(F)F)c(c1)-c1ccccc1
BDBM50141589 CCCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C(/F)C(O)=O)C(C)C)C(C)C
BDBM50141590 CCOc1c(cc(cc1-c1cccc2sc(cc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
BDBM50141591 CCCCCCCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)-c1cccc2sc(cc12)C(\C)=C\C(O)=O
BDBM50141592 C\C(=C/C(O)=O)c1cc2c(cccc2s1)-c1cc(cc(c1C)C(C)(C)C)C(C)(C)C
BDBM50141593 CCOc1c(cc(cc1-c1cccc2cc(sc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
BDBM50141595 C\C(=C/C(O)=O)c1cc2c(cccc2s1)-c1cc(cc(c1OCCCF)C(C)(C)C)C(C)(C)C
BDBM50141596 C\C(=C/C(O)=O)c1cc2c(cccc2s1)-c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C
BDBM50141597 C\C(=C/C(O)=O)c1cc2c(cccc2s1)-c1cc(cc(c1OCCC(F)F)C(C)(C)C)C(C)(C)C
BDBM50141599 C\C(=C/C(O)=O)c1cc2c(cccc2s1)-c1cc(cc(c1OCC(F)(F)F)C(C)(C)C)C(C)(C)C
BDBM50141600 CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1cccc2cc(oc12)C(\C)=C(/F)C(O)=O
BDBM50141601 CCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
BDBM50141602 CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
BDBM50141603 CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
BDBM50141604 CCCOc1c(cc(cc1-c1cccc2sc(cc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
BDBM50141605 CCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
BDBM50143821 CCCOc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C
BDBM50143823 Cc1oc(\C=C\C(O)=O)cc1Cc1ccc2c(c1)C(C)(C)CCC2(C)C
BDBM50143824 CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccc(\C=C\C(O)=O)o1
BDBM50143825 CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(C=C3SC(O)=NC3=O)cc12 |w:21.22,c:27|
BDBM50143826 CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)cc12
BDBM50143827 COc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C
BDBM50143828 CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2sc(CCC(O)=O)cc12
BDBM50143830 CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(cc12)C(O)=O
BDBM50143831 CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)nc12
BDBM50143832 Cc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C
BDBM50143833 CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2sc(\C=C\C(O)=O)cc12
BDBM50143835 CC1(C)CCC(C)(C)c2cc(Cc3coc(\C=C\C(O)=O)c3)ccc12
BDBM50158412 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)n1ccnc1 |c:4|
BDBM50158413 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=CC(C)=CC(=O)n1cncn1 |w:14.14,18.19,c:4|
BDBM50158416 C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C\C(O)=O |c:4|
BDBM50244760 COCCOCOc1ccc(cc1C12CC3CC(CC(C3)C1)C2)C(=O)\C=C\c1ccc(cc1)C(O)=O |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
BDBM50265917 CC(C)(C)c1ccc(cc1)C#Cc1ccc(cc1)C(O)=O
BDBM50265918 CC(C)(C)c1ccc(cc1)C#Cc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50265919 CC(C)(C)c1ccc(cc1)C#Cc1cccc(c1)-c1nc(=O)o[nH]1
BDBM50265920 CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
BDBM50265921 CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50265949 CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1cccc(c1)-c1nc(=O)o[nH]1
BDBM50265950 CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50265951 CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1
BDBM50282691 Cc1cc2c(cc1\C=C\c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
BDBM50282692 CC1(C)CCC(C)(C)c2cc(\C=C\c3ccc(cc3)C(O)=O)ccc12
BDBM50282693 C\C(=C/c1ccc(cc1)C(O)=O)c1cc2c(cc1Cl)C(C)(C)CCC2(C)C
BDBM50282694 C\C(=C/c1ccc(cc1)C(O)=O)c1cc2c(cc1Br)C(C)(C)CCC2(C)C
BDBM50290078 OC(=O)c1ccc2C=C(COc2c1)c1ccc(O)c(c1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |c:7,TLB:27:22:29:28.26.25,27:26:29:21.22.23|
BDBM50290079 CC1(C)CCC(C)(C)c2cc(ccc12)C1COc2cc(ccc2C1)C(O)=O
BDBM50290080 CC(C)(C)c1cc(ccc1O)C1=Cc2ccc(cc2OC1)C(O)=O |t:12|
BDBM50290081 CC1(C)CCC(C)(C)c2cc(ccc12)C1=Cc2ccc(cc2OC1)C(O)=O |t:16|
BDBM50290082 COc1ccc(cc1C12C[C@H]3C[C@H](C[C@H](C3)C1)C2)C1=Cc2ccc(cc2OC1)C(O)=O |t:22,TLB:15:10:17:16.14.13,15:14:17:9.10.11|
BDBM50290083 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C1=Cc2ccc(cc2OC1)C(O)=O |t:16|
BDBM50290137 C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C/C(O)=O |t:10|
BDBM50290138 C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C\C(O)=O |t:10|
BDBM50290659 C\C(\C=C\C1(CC1)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
BDBM50290660 C\C(\C=C\C1(CC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
BDBM50290661 C\C(\C=C\C1(CCCC1)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
BDBM50290662 C\C(\C=C\C1(CCCC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
BDBM50290177 CC1(C)CCNc2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
BDBM50290178 CC(C)N1C(=O)CC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
BDBM50290179 CC(C)N1C(=O)CC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
BDBM50290181 CCCCCCCN1CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
BDBM50290182 CC1(C)CC(=O)Nc2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
BDBM50290183 CC1(C)CC(=O)Nc2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
BDBM50290184 CC(C)N1CCC(C)(C)c2ccc(cc12)C#Cc1ccc(cc1)C(O)=O
BDBM50290185 CC(C)N1CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
BDBM50290186 C\C(\C=C\[C@@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
BDBM50290187 C\C(\C=C\[C@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
BDBM50290188 C\C(\C=C\[C@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
BDBM50290189 C\C(\C=C\[C@@H]1CC(=C)C[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
BDBM50290190 C\C(\C=C\[C@H]1CC(=C)C[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
BDBM50290191 C\C(\C=C\C1=C(CCC1)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O |t:4|
BDBM50290192 C\C(\C=C\[C@]12CC1(CCC2)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
BDBM50290193 C\C(\C=C\C1=C(CCC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O |t:4|
BDBM50290194 C\C(\C=C\[C@@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
BDBM50286561 CC1=C(\C=C\C#Cc2ccccc2C(O)=O)C(C)(C)CCC1 |c:1|
BDBM50286562 CC1=C(C#Cc2ccc3cc(ccc3c2)C(O)=O)C(C)(C)CCC1 |c:1|
BDBM50286563 CC1=C(\C=C\C#Cc2ccc(cn2)C(O)=O)C(C)(C)CCC1 |c:1|
BDBM50286564 CC1=C(\C=C\C#Cc2cccc(c2)C(O)=O)C(C)(C)CCC1 |c:1|
BDBM50287964 C\C(\C=C\C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
BDBM50285918 C\C(=C/c1ccc(s1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
BDBM50285920 C\C(=C/c1ncc(s1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
BDBM50296049 C\C(\C=C(/C)C(O)=O)=C/c1coc2cc3c(cc2c1=O)C(C)(C)CCC3(C)C
BDBM50323524 CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(29.01,-37.57,;28.39,-38.98,;26.86,-39.15,;29.3,-40.22,;30.85,-40.22,;31.33,-41.69,;30.08,-42.6,;28.83,-41.7,;27.5,-42.46,;26.16,-41.7,;24.83,-42.47,;23.48,-41.71,;22.16,-42.49,;22.17,-44.02,;20.84,-44.79,;20.84,-46.33,;19.5,-44.03,;18.17,-44.8,;18.18,-46.35,;16.84,-47.12,;15.5,-46.35,;15.51,-44.81,;16.84,-44.04,;14.17,-47.12,;12.84,-46.35,;14.17,-48.66,;23.5,-44.79,;24.83,-44.01,;23.5,-46.33,;22.17,-47.1,;24.84,-47.1,;23.49,-47.86,;30.09,-44.13,;31.42,-44.89,;32.75,-44.11,;31.43,-46.43,;30.1,-47.21,;28.76,-46.45,;28.75,-44.91,;27.42,-44.14,)|
BDBM50323530 CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(21.34,-24.3,;21.34,-22.76,;20,-21.99,;18.67,-22.77,;17.33,-22,;16,-22.77,;16,-24.32,;17.34,-25.09,;18.67,-24.32,;17.34,-26.63,;16,-27.4,;18.67,-27.4,;22.67,-21.98,;22.65,-20.45,;23.98,-19.67,;25.32,-20.44,;26.66,-19.66,;28,-20.43,;29.32,-19.66,;29.79,-18.19,;31.35,-18.19,;31.83,-19.65,;30.58,-20.57,;30.59,-22.1,;31.92,-22.86,;33.25,-22.08,;31.93,-24.4,;30.6,-25.18,;29.26,-24.41,;29.25,-22.87,;27.92,-22.11,;28.88,-16.95,;28.71,-15.42,;27.47,-16.33,;25.33,-21.98,;24,-22.75,;24,-24.29,;22.67,-25.06,;25.34,-25.06,;23.99,-25.83,)|
BDBM50323533 CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-1.96,-48.67,;-1.97,-47.13,;-3.3,-46.37,;-4.63,-47.14,;-4.63,-48.69,;-5.97,-49.46,;-7.3,-48.69,;-7.3,-47.15,;-5.97,-46.38,;-8.63,-49.46,;-9.97,-48.69,;-8.64,-51,;-.64,-46.36,;-.65,-44.83,;.68,-44.05,;2.02,-44.81,;3.36,-44.04,;4.7,-44.81,;6.02,-44.04,;6.49,-42.57,;8.04,-42.56,;8.53,-44.03,;7.28,-44.94,;7.28,-46.48,;8.62,-47.24,;9.94,-46.46,;8.63,-48.77,;7.29,-49.55,;5.96,-48.79,;5.95,-47.25,;4.61,-46.48,;5.58,-41.33,;5.41,-39.8,;4.17,-40.71,;2.03,-46.35,;.7,-47.13,;.7,-48.67,;-.63,-49.44,;2.03,-49.44,;.68,-50.21,)|
BDBM50336730 COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N |w:5.4,c:9|
BDBM50346143 Cc1ccc(cc1)C1=CCC(C)(C)c2cc(ccc12)C(O)\C=C\c1ccc(cc1)C(O)=O |t:8|
BDBM50407395 CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C/C=C/C=C/C(=C/C)/C(O)=O |c:2|
BDBM50407270 CC(C)C1=C(C)CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O |c:3|
BDBM50407929 C\C(\C=C\C=C(/C)\C=C1\CCCC=C1)=C/C(O)=O |c:12|
BDBM50407930 C/C(/C=C/C=C(/C)\C=C1/CCCC(C)=C1C)=C\C(O)=O |c:13|
BDBM50407931 CCC1=C(C(C)C)\C(CCC1)=C\C(\C)=C/C=C/C(/C)=C/C(O)=O |c:2|
BDBM50409928 C\C(=C/C(O)=O)c1cc2C(CCCc2o1)c1ccc2c(c1)C(C)(C)CCC2(C)C
BDBM50409929 CN1CC(c2cc(\C=C\C(O)=O)oc2C1)c1ccc2c(c1)C(C)(C)CCC2(C)C
BDBM50403583 C\C(\C=C\C1CC1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(O)=O
BDBM50403584 C\C(\C=C\C1CC1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C\C(O)=O
BDBM50413255 CCCCOCCOc1ccc(cc1)-c1ccc(C(O)=O)c(F)c1
BDBM50413261 CCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O
BDBM50413265 CCCCCCCCc1ccc(cc1)-c1ccc(C(O)=O)c(F)c1
BDBM50413270 CCOCCOc1nc(sc1C)-c1ccc(cc1)C(O)=O
BDBM50413272 CCCCOCCOc1nc(sc1C)-c1ccc(C(O)=O)c(F)c1
BDBM50447837 Cc1cc(O)c(cc1-c1ncc(s1)-c1ccc(cc1)C(O)=O)C12CC3CC(CC(C3)C1)C2 |TLB:5:22:25:29.28.27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
BDBM50447838 OC(=O)c1ccc(cc1)-c1cnc(s1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:19:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
BDBM50447840 CC1(C)CC=C(C#Cc2ccccc2)c2cc(\C=C\c3ccc(cc3)C(O)=O)ccc12 |t:4|
BDBM50067588 CC(C)(O)C1Cc2c(O1)ccc1oc3c4C=CC(C)(C)Oc4cc(O)c3c(=O)c21 |c:16|
BDBM50067590 CC(C)(C=C)c1c(O)cc2oc3c(O)c4OC(C)(C)C=Cc4cc3c(=O)c2c1O |c:19|
BDBM50067591 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2oc3c4-[#6]=[#6]C([#6])([#6])[#8]-c4cc(-[#8])c3c(=O)c12 |c:14|
BDBM50044560 C\C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/c1ccc(C)cc1)=C/C(O)=O |c:8|
BDBM50153594 CC(C)C[C@H]1C[C@H](C1)c1nnc([C@H]2CN(C[C@@H]2C(=O)Nc2ccc(C)cc2C)C(C)=O)n1C1CC1 |r,wU:4.3,6.8,12.12,wD:16.18,(2.36,7.33,;2.68,6.14,;1.81,5.27,;4.17,5.74,;4.56,4.26,;5.9,3.48,;5.11,2.21,;3.79,2.92,;5.62,.75,;7.1,.32,;7.14,-1.22,;5.7,-1.71,;5.38,-3.22,;6.42,-4.36,;5.65,-5.7,;4.14,-5.38,;4,-3.86,;2.66,-3.08,;2.67,-1.85,;1.33,-3.85,;-.01,-3.08,;0,-1.54,;-1.33,-.76,;-2.67,-1.53,;-3.73,-.91,;-2.67,-3.07,;-1.34,-3.84,;-1.35,-5.07,;6.27,-7.1,;5.55,-8.1,;7.5,-7.23,;4.75,-.52,;3.21,-.57,;1.93,-1.26,;2.03,.28,)|
BDBM323587 CC(=Cc1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C |w:2.2|
BDBM323588 CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(O)=O |w:3.3,13.14,15.16,18.19,c:4|
BDBM393289 CC1(C)CCC(C)(C)c2cc(ccc12)C(O)C(=O)Nc1ccc(cc1F)C(O)=O
BDBM50460100 CCOC(=O)c1ccc(cc1)-c1nc(c(C)s1)-c1ccc2c(c1)C(C)(C)CCC2(C)C
BDBM50460101 Cc1sc(nc1-c1ccccc1)-c1ccc(cc1)C(O)=O
BDBM50460102 Cc1sc(nc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)-c1ccc(cc1)C(O)=O
BDBM50460103 CCOC(=O)c1ccc(cc1)-c1nc(c(C)s1)-c1ccccc1
BDBM50457560 CCN(CC)c1ccc(cc1C(C)(C)C)-c1cc(ccc1OCCCO)-c1ccc(cc1)C(O)=O
BDBM50457561 CC(C)(C)c1cc(ccc1N1CCCC1)-c1cc(ccc1OCCCO)-c1ccc(cc1)C(O)=O
BDBM50457565 CC(C)(C)c1cc(ccc1N1CCCC1=O)-c1cc(ccc1OCCO)-c1ccc(cc1)C(O)=O
BDBM50457566 CC(C)(C)c1cc(ccc1N1CCCC1)-c1cc(ccc1OCC(O)=O)-c1ccc(cc1)C(O)=O
BDBM50457562 CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1O)-c1ccc(cc1)C(O)=O
BDBM50457563 CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1OCCCCO)-c1ccc(cc1)C(O)=O
BDBM50457564 CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1OCCCNC1CC1)-c1ccc(cc1)C(O)=O
BDBM50457567 CCN(CC)c1ccc(cc1CC)-c1cc(ccc1OCCCO)-c1ccc(cc1)C(O)=O
BDBM50457542 CC1(C)CCSc2ccc(cc12)C#Cc1cccc(n1)C(O)=O
BDBM50457543 OCCCCOc1ccc(cc1-c1ccc(N2CCCC2)c(c1)C(F)(F)F)-c1ccc(cc1)C(O)=O
BDBM50457544 CCN(CC)c1ccc(cc1C(C)(C)C)-c1cc(ccc1OCCO)-c1ccc(cc1)C(O)=O
BDBM50457545 CCN(CC)c1ccc(cc1)-c1cc(ccc1OCCCO)-c1ccc(cc1)C(O)=O
BDBM50457546 COc1ccc(cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)-c1ccc(cc1)C(O)=O
BDBM50457547 CC(C)(C)c1cc(ccc1N1CCCC1)-c1cc(ccc1OCCCCO)-c1ccc(cc1)C(O)=O
BDBM50457548 CC(C)(C)c1cc(ccc1N1CCCC1)-c1cc(ccc1OCCO)-c1ccc(cc1)C(O)=O
BDBM50457549 CCN(CC)c1ccc(cc1C(C)(C)C)-c1cc(ccc1OCCCCO)-c1ccc(cc1)C(O)=O
BDBM50457550 CC(C)(C)c1cc(ccc1NCCCCO)-c1cc(ccc1OCCO)-c1ccc(cc1)C(O)=O
BDBM50457551 COCCOCOc1ccc(cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)-c1ccc(cc1)C(O)=O
BDBM50457552 CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1OCCCO)-c1ccc(cc1)C(O)=O
BDBM50457553 CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1CO)-c1ccc(cc1)C(O)=O
BDBM50457554 CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1CCO)-c1ccc(cc1)C(O)=O
BDBM50471288 Cc1ccc(cc1)C1=CC(C)(C)Oc2c(Br)cc(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1 |t:8|
BDBM50471289 Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1 |t:8|
BDBM50471290 Cc1ccc(cc1)C1=CC(C)(C)Oc2c(Br)cc(cc12)C(=O)Nc1ccc(C(O)=O)c(F)c1 |t:8|
BDBM50471286 Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C(=O)Nc1ccc(C(O)=O)c(F)c1 |t:8|
BDBM50471287 Cc1ccc(cc1)C1=CCC(C)(C)c2ccc(cc12)C(=O)Nc1ccc(cc1)C(O)=O |t:8|
BDBM458121 Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1Cl)C(O)=O
BDBM458124 Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1Br)C(O)=O
BDBM458133 Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1N)C(O)=O
BDBM458145 Cc1c(oc2c(C)ccc(C)c12)-c1nc(no1)-c1ccc(cc1)C(O)=O
BDBM458150 Cc1c(oc2c(C)ccc(C)c12)-c1nc(no1)-c1ccc(cc1Cl)C(O)=O
BDBM458272 Cc1ccc(C)c2oc(cc12)-c1noc(n1)-c1ccc(cc1F)C(O)=O
BDBM458271 Cc1cc(ccc1-c1nc(no1)-c1cc2c(C)ccc(C)c2o1)C(O)=O
BDBM458273 Cc1ccc(C)c2oc(cc12)-c1noc(n1)-c1ccc(cc1Cl)C(O)=O
BDBM458152 CC(C)c1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
BDBM458158 OC(=O)c1ccc(cc1)-c1noc(n1)-c1cc2c(Cl)ccc(Cl)c2o1
BDBM458165 OC(=O)c1ccc(-c2noc(n2)-c2cc3c(Cl)ccc(Cl)c3o2)c(Cl)c1
BDBM458201 Cc1cc(ccc1C(O)=O)-c1noc(n1)-c1cc2c(Cl)ccc(Cl)c2o1
BDBM458233 OC(=O)c1ccc(cc1F)-c1noc(n1)-c1cc2c(Cl)ccc(Cl)c2o1
BDBM458240 Cc1ccc(Cl)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
BDBM458251 Cc1ccc(Cl)c2cc(oc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
BDBM458259 Cc1ccc(Cl)c2oc(cc12)-c1nc(no1)-c1ccc(cc1Cl)C(O)=O
BDBM458274 Cc1cc(ccc1C(O)=O)-c1nc(no1)-c1cc2c(C)ccc(C)c2o1
BDBM458275 Cc1ccc(C)c2oc(cc12)-c1noc(n1)-c1ccc(C(O)=O)c(F)c1
BDBM458276 Cc1ccc(C)c2oc(cc12)-c1nnc(o1)-c1ccc(cc1)C(O)=O
BDBM458277 Cc1cc(ccc1-c1nnc(o1)-c1cc2c(C)ccc(C)c2o1)C(O)=O
BDBM458278 Cc1ccc(C)c2oc(cc12)-c1nnc(o1)-c1ccc(cc1Cl)C(O)=O
BDBM458279 Cc1ccc(C)c2oc(cc12)-c1nnc(o1)-c1ccc(C(O)=O)c(F)c1
BDBM458280 Cc1ccc(C)c2oc(cc12)-c1nc(ns1)-c1ccc(cc1)C(O)=O
BDBM458281 Cc1ccc(C)c2oc(cc12)-c1nc(ns1)-c1ccc(cc1Cl)C(O)=O
BDBM458260 Cc1ccc(Cl)c2cc(oc12)-c1nc(no1)-c1ccc(cc1Cl)C(O)=O
BDBM458262 OC(=O)c1ccc(-c2noc(n2)-c2cc3c(ccc(F)c3o2)C(F)(F)F)c(Cl)c1
BDBM458264 Cc1ccc(C)c2sc(cc12)-c1nc(no1)-c1ccc(cc1Cl)C(O)=O
BDBM458266 Cc1ccc(C)c2oc(nc12)-c1nc(no1)-c1ccc(cc1Cl)C(O)=O
BDBM458267 Cc1cc(ccc1C(O)=O)-c1noc(n1)-c1nc2c(C)ccc(C)c2o1
BDBM458268 Cc1ccc(C)c2oc(nc12)-c1nc(no1)-c1ccc(C(O)=O)c(F)c1
BDBM458269 Cc1ccc(C)c2sc(nc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
BDBM458270 Cc1ccc(C)c2oc(cc12)-c1noc(n1)-c1ccc(cc1)C(O)=O
BDBM458282 Cc1cc(ccc1C(O)=O)-c1nsc(n1)-c1cc2c(C)ccc(C)c2o1
BDBM458283 Cc1ccc(C)c2oc(cc12)-c1nc(ns1)-c1ccc(C(O)=O)c(F)c1
BDBM458284 Cc1ccc(C)c2oc(cc12)-c1nsc(n1)-c1ccc(cc1)C(O)=O
BDBM458285 Cc1cc(ccc1C(O)=O)-c1nc(ns1)-c1cc2c(C)ccc(C)c2o1
BDBM458286 Cc1ccc(C)c2oc(cc12)-c1nsc(n1)-c1ccc(C(O)=O)c(F)c1
BDBM458287 Cc1cc(Cl)c(C)c2cc(oc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
BDBM50526312 Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(C(O)=O)c(F)c1
BDBM50526313 Cc1cc(ccc1C(O)=O)-c1noc(n1)-c1cc2c(C)ccc(C)c2o1
BDBM50526314 Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
BDBM50526315 OC(=O)c1ccc(cc1)-c1noc(n1)-c1cc2c(ccc(F)c2o1)C(F)(F)F
BDBM50526316 Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1F)C(O)=O
BDBM50526317 CC1(C)CCC(C)(C)c2cc(ccc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
BDBM50526318 CCOc1c(Cl)cc(cc1Cl)C(=O)Nc1ccc(cc1)C(O)=O
BDBM50526319 CCOc1c(Cl)cc(cc1Cl)-c1cnc(o1)-c1ccc(cc1)C(O)=O
BDBM50526320 Cc1cc(ccc1-c1noc(n1)-c1cc2c(C)ccc(C)c2o1)C(O)=O
BDBM50526321 CC(C)(C)c1cc(cc(c1)C(C)(C)C)-c1nc(no1)-c1ccc(cc1)C(O)=O
BDBM50526322 CCOc1c(Cl)cc(cc1Cl)-c1noc(n1)-c1ccc(cc1)C(O)=O
BDBM50526323 CCOc1c(Cl)cc(cc1Cl)-c1csc(n1)-c1ccc(cc1)C(O)=O
BDBM50526324 CCOc1c(Cl)cc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C(O)=O
BDBM50526325 Cc1ccc(C)c2sc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
BDBM50526326 CCOc1c(Cl)cc(cc1Cl)-c1c[nH]c(n1)-c1ccc(cc1)C(O)=O
BDBM50526327 Cc1ccc(C)c2oc(nc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
BDBM50526311 CCOc1c(Cl)cc(cc1Cl)-c1nc(no1)-c1ccc(cc1)C(O)=O
BDBM50609378 COCCOCOc1cc2O\C(=C/c3ccc(cc3)C(O)=O)C(=O)c2cc1C12CC3CC(CC(C3)C1)C2 |TLB:34:29:36:33.35.32,34:33:36:30.29.28,30:31:29.28.34:35,THB:30:29:35:36.31.32|