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750 SMILES Strings for Leukotriene A4 hydrolase

Compound NameSMILES String
BDBM13337 Nc1ncccc1OCc1ccccc1
BDBM21642 C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
BDBM24266 N[C@@H](CCC(=O)Nc1ccccc1)C(N)=O |r|
BDBM24267 N[C@@H](CCC(=O)Nc1ccc(cc1)-n1cccc1)C(N)=O |r|
BDBM24268 COC(=O)[C@@H](N)CCC(=O)Nc1cccc(OCc2ccccc2)c1 |r|
BDBM24269 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)nc1)C(N)=O |r|
BDBM24270 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C(O)=O |r|
BDBM24271 N[C@@H](CCC(=O)Nc1ccc(Cc2ccccc2)cc1)C(N)=O |r|
BDBM24272 N[C@@H](CCC(=O)Nc1ccc(Nc2ccccc2)cc1)C(O)=O |r|
BDBM24273 COC(=O)[C@@H](N)CCC(=O)Nc1ccc(cc1)N(C)c1ccccc1 |r|
BDBM24274 N[C@@H](CCC(=O)Nc1ccc(OCCc2ccccc2)cc1)C(O)=O |r|
BDBM24275 N[C@@H](CCC(=O)Nc1ccc(OCCCc2ccccc2)cc1)C(O)=O |r|
BDBM24276 N[C@@H](CCC(=O)Nc1ccc(OCC(=O)c2ccccc2)cc1)C(O)=O |r|
BDBM24277 N[C@@H](CCC(=O)Nc1ccc(OCC(O)c2ccccc2)cc1)C(O)=O |r|
BDBM24278 COC(=O)[C@@H](N)CCC(=O)Nc1ccc(OC)cc1 |r|
BDBM24279 N[C@@H](CCC(=O)Nc1ccc(OC2CCCCC2)cc1)C(N)=O |r|
BDBM24280 Cc1ccccc1Oc1ccc(NC(=O)CC[C@H](N)C(N)=O)cc1 |r|
BDBM24281 Cc1cccc(Oc2ccc(NC(=O)CC[C@H](N)C(N)=O)cc2)c1 |r|
BDBM24282 Cc1ccc(Oc2ccc(NC(=O)CC[C@H](N)C(N)=O)cc2)cc1 |r|
BDBM24283 N[C@@H](CCC(=O)Nc1ccc(Oc2ccc(cc2)-n2cccc2)cc1)C(O)=O |r|
BDBM24284 N[C@@H](CCC(=O)Nc1ccc(Oc2ccc(cc2)-c2ccoc2)cc1)C(N)=O |r|
BDBM24285 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(O)=O |r|
BDBM24286 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)NCC(O)=O |r|
BDBM24287 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)NCCC(O)=O |r|
BDBM24288 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)NCCCC(O)=O |r|
BDBM24289 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)NCCO |r|
BDBM24290 NCCNC(=O)[C@@H](N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 |r|
BDBM24291 N[C@H](CO)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 |r|
BDBM24292 NC[C@@H](N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 |r|
BDBM24293 COC[C@@H](N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 |r|
BDBM24294 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CS(O)(=O)=O |r|
BDBM24295 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)c1nnc[nH]1 |r|
BDBM24296 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CSc1nnc(N)s1 |r|
BDBM24297 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)Cn1cccc1 |r|
BDBM24298 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CN1C(=O)c2ccccc2C1=O |r|
BDBM23976 NC1Cc2ccccc2C\C1=N\OCc1ccccc1
BDBM23981 NC1CCc2ccccc2C1
BDBM24199 C(CN1CCCC1)Oc1ccc(Oc2nc3ccccc3o2)cc1
BDBM24201 C(CN1CCCC1)Oc1ccc(Oc2nc3ccccc3s2)cc1
BDBM24202 C(CN1CCCC1)Oc1ccc(Oc2nc3ccccc3[nH]2)cc1
BDBM24203 C(CN1CCCCC1)Oc1ccc(Oc2nc3ccccc3o2)cc1
BDBM24204 C(CN1CCCCC1)Oc1ccc(Oc2nc3ccccc3s2)cc1
BDBM24205 C(CN1CCCCC1)Oc1ccc(Oc2nc3ccccc3[nH]2)cc1
BDBM24206 C(CN1CCCCCC1)Oc1ccc(Oc2nc3ccccc3o2)cc1
BDBM24207 C(CN1CCCCCC1)Oc1ccc(Oc2nc3ccccc3s2)cc1
BDBM24208 C(CN1CCCCCC1)Oc1ccc(Oc2nc3ccccc3[nH]2)cc1
BDBM24209 C(CN1CCOCC1)Oc1ccc(Oc2nc3ccccc3o2)cc1
BDBM24210 C(CN1CCOCC1)Oc1ccc(Oc2nc3ccccc3s2)cc1
BDBM24211 C(CN1CCOCC1)Oc1ccc(Oc2nc3ccccc3[nH]2)cc1
BDBM24212 OC1CCN(CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1
BDBM24213 OC1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24214 OCC1CCN(CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1
BDBM24215 OCC1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24216 OC1(CCN(CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1)c1ccccc1
BDBM24217 OC1(CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1)c1ccccc1
BDBM24218 NC(=O)C1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24219 NC1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24220 O=C1CCCN1C1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24221 O=C1CCCCN1C1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24222 O=C1OCCN1C1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24223 C(Cc1ccc(Oc2nc3ccccc3s2)cc1)N1CCCCC1
BDBM24224 OC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24225 NC(=O)C1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24227 O=C1CCCN1C1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24228 O=C1OCCN1C1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24229 CC(=O)NC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24230 CC(=O)OCC(=O)NC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24231 C(N1CCCCC1)c1ccc(Oc2nc3ccccc3s2)cc1
BDBM24232 OC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM23982 CC(=O)C1Cc2ccccc2CC1N
BDBM23983 NC1Cc2ccccc2CC1C(=O)NO
BDBM23984 OP(O)(O)C1Cc2ccccc2CC1=N
BDBM23985 O=C1Cc2ccccc2CO1
BDBM23986 O=C1Cc2ccccc2CS1
BDBM23987 ON1Cc2ccccc2CC1=O
BDBM23988 NN1Cc2ccccc2CC1=O
BDBM23989 O=C1CCc2ccccc2C1
BDBM23990 NC1Cc2ccccc2NC1=O
BDBM23971 CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
BDBM23977 NC1Cc2ccccc2C\C1=N\OCCc1ccccc1
BDBM23978 NC1Cc2ccccc2C\C1=N\OCCCc1ccccc1
BDBM23979 NC1Cc2ccccc2C\C1=N\OCCCCc1ccccc1
BDBM23980 NC1Cc2ccccc2C\C1=N\OCCCCCc1ccccc1
BDBM24243 NCC(=O)Nc1ccc(OCc2ccccc2)cc1
BDBM24244 C[C@H](N)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
BDBM23738 COc1ccc2n(Cc3ccccc3)c(C)c(CC(N)=O)c2c1
BDBM24233 NC(=O)C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24234 O=C1CCCN1C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24235 O=C1OCCN1C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24236 CC(=O)NC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24237 CC(=O)OCC(=O)NC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24238 OCC(=O)NC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24239 OC(=O)C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
BDBM24240 C(COc1ccc(Oc2nc3ccccc3o2)cc1)CN1CCCCC1
BDBM24241 C(COc1ccc(Oc2nc3ccccc3s2)cc1)CN1CCCCC1
BDBM24242 C(COc1ccc(Oc2nc3ccccc3[nH]2)cc1)CN1CCCCC1
BDBM23926 Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
BDBM24245 CC[C@H](C)[C@H](N)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
BDBM24246 N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
BDBM24247 O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 |r|
BDBM24248 N[C@@H](CCC(N)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
BDBM24249 N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
BDBM24250 NCCCC[C@H](N)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
BDBM24251 N[C@@H](CCC(O)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
BDBM24252 N[C@@H](CC(O)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
BDBM24253 N[C@H](CCC(O)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
BDBM24254 N[C@H](CC(O)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
BDBM24255 N[C@@H](CC(=O)Nc1ccc(OCc2ccccc2)cc1)C(O)=O |r|
BDBM24256 N[C@@H](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(O)=O |r|
BDBM24257 N[C@H](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(O)=O |r|
BDBM24258 OC(=O)CCCC(=O)Nc1ccc(OCc2ccccc2)cc1
BDBM24259 COC(=O)[C@@H](N)CCC(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
BDBM24260 CC(C)(C)OC(=O)[C@@H](N)CCC(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
BDBM24261 N[C@@H](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(N)=O |r|
BDBM24262 N[C@@H](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(=O)NO |r|
BDBM24263 NCCCC(=O)Nc1ccc(OCc2ccccc2)cc1
BDBM24264 CNCCCC(=O)Nc1ccc(OCc2ccccc2)cc1
BDBM24265 CN(C)CCCC(=O)Nc1ccc(OCc2ccccc2)cc1
BDBM23973 NC1Cc2ccccc2CC1=O
BDBM23974 ONC1Cc2ccccc2CC1=N
BDBM23975 CO\N=C1\Cc2ccccc2CC1N
BDBM32212 Oc1ccc2[nH]ccc2c1
BDBM289895 CC(C)(C)C(=O)N1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM289894 CN(C)C(=O)N1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM289896 O=C1CCCN1C1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM289897 CCC(=O)N1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM289916 OC1(CC1)C(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1
BDBM289917 C[C@H](O)C(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1 |r|
BDBM289918 CC(C)(O)C(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1
BDBM289919 C[C@@H](O)C(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1 |r|
BDBM289920 COCC(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1
BDBM289932 O=C1CCCN1C1CCN(CCc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
BDBM289933 O[C@H]1CCN(C2CCN(CCc3coc4cc(Oc5ccc(cn5)-c5ccn[nH]5)ccc34)CC2)C1=O |r|
BDBM289930 O[C@H]1CCN(C2CCN(CCC3COc4cc(Oc5ccc(cn5)-c5ccn[nH]5)ccc34)CC2)C1=O |r|
BDBM289931 CS(=O)(=O)N1CCN(CCC2COc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
BDBM289934 CS(=O)(=O)N1CCN(CCc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
BDBM289935 CO[C@@H](C)C(=O)N1CCN(CCc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1 |r|
BDBM289953 CO[C@@H](C)C(=O)N1CCN(CCC2COc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1 |r|
BDBM289956 COCC(=O)N1CCN(Cc2cn3cc(Oc4ccc(cc4)-c4ccn[nH]4)ccc3n2)CC1
BDBM289963 OC1(CC1)C(=O)N1CCN(CCC2COc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
BDBM289964 C[C@@H](O)C(=O)N1CCN(CCC2COc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1 |r|
BDBM289965 C[C@@H](O)C(=O)N1CCN(CCc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1 |r|
BDBM289966 OC1(CC1)C(=O)N1CCN(CCc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
BDBM289980 CC(=O)NCC1CCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
BDBM289981 CC(=O)N1CCC(CNCc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
BDBM289977 CC(=O)NC1CCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
BDBM289978 CS(=O)(=O)NC1CCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
BDBM289982 CC(=O)N1CCC(CC1)NCc1coc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc12
BDBM289983 O[C@H]1CCN(C2CCN(Cc3coc4cc(Oc5ccc(cn5)-c5ccn[nH]5)ccc34)CC2)C1=O |r|
BDBM290001 CC[C@H](O)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |r|
BDBM290000 OC1(CC1)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
BDBM290002 COC(C)(C)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
BDBM290016 COCCCC(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
BDBM290017 OC1(CCC1)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
BDBM289984 CN1CCC2(CCN(Cc3coc4cc(Oc5ccc(cn5)-c5ccn[nH]5)ccc34)CC2)C1=O
BDBM289985 O=C(CN1CCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1)N1CCCC1
BDBM289986 CC(=O)N1CCN(CC1)C(=O)c1coc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc12
BDBM289987 CN([C@@H]1CCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)C1)C(=O)CO |r|
BDBM290003 C[C@H](O)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |r|
BDBM290004 CC(C)OCC(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
BDBM290005 O=C(C1CCOCC1)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
BDBM290006 O=C([C@@H]1CCCO1)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |r|
BDBM290007 O=C([C@H]1CCCO1)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |r|
BDBM290018 CCCOCC(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
BDBM290019 CC(C)(C#N)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
BDBM290020 O=C(N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1)C1(CCC1)C#N
BDBM289864 OCC(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM289865 O[C@H]1CCN(C2CCN(Cc3ccc4cc(Oc5ccc(cn5)-c5ccn[nH]5)ccc4n3)CC2)C1=O |r|
BDBM289866 OCC(=O)NC1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM289867 OC1CC2(C1)CN(Cc1ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c1)C2
BDBM289868 CC1(O)CN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1
BDBM289869 CC(=O)N[C@@H]1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 |r|
BDBM289923 O=C1CCCN1C1CCN(C[C@H]2Cc3ccc(Oc4ccc(cn4)-c4ccn[nH]4)cc3O2)CC1 |r|
BDBM289924 O=C1CCCN1C1CCN(C[C@@H]2Cc3ccc(Oc4ccc(cn4)-c4ccn[nH]4)cc3O2)CC1 |r|
BDBM289921 O[C@H]1CCN(C2CCN(C[C@@H]3Cc4ccc(Oc5ccc(cn5)-c5ccn[nH]5)cc4O3)CC2)C1=O |r|
BDBM289922 O[C@H]1CCN(C2CCN(C[C@H]3Cc4ccc(Oc5ccc(cn5)-c5ccn[nH]5)cc4O3)CC2)C1=O |r|
BDBM289925 OCC(=O)N1CCN(CC2Cc3ccc(Oc4ccc(cn4)-c4ccn[nH]4)cc3O2)CC1
BDBM289926 CS(=O)(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
BDBM289937 COCC(=O)N1CCN(CCc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
BDBM289936 CO[C@H](C)C(=O)N1CCN(CCC2COc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1 |r|
BDBM289938 CO[C@H](C)C(=O)N1CCN(CCc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1 |r|
BDBM289870 CC(=O)N[C@H]1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 |r|
BDBM289871 O[C@H]1CCCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 |r|
BDBM289873 O[C@@H]1CCCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 |r|
BDBM289874 CN(CCO)Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2c1
BDBM289875 OCC1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM289876 OC[C@H]1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 |r|
BDBM289898 CN(C)C(=O)C1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM289899 CC(C)(O)C(=O)N1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM289900 O=C(C1CC1)N1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM289901 CC(C)C(=O)N1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM289902 OC1CN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)C1
BDBM289903 N#CCCNCc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1
BDBM289904 CC[C@H](CC#N)NCc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1 |r|
BDBM289858 OC1CN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1
BDBM289859 NC(=O)C1CN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1
BDBM289860 CC(=O)NC1CN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1
BDBM289880 CN([C@@H]1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1)C(=O)CO |r|
BDBM289881 OC[C@@H]1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 |r|
BDBM289878 OCC(=O)N1CC[C@H](C1)NCc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2c1 |r|
BDBM289879 CN([C@H]1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1)C(=O)CO |r|
BDBM289882 CN(Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2c1)[C@H]1CCN(C1)C(=O)CO |r|
BDBM289883 COCC(=O)N1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM290009 CC(C)(CO)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
BDBM290008 CC[C@@H](O)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |r|
BDBM290010 O=C(C1C2COCC12)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
BDBM290021 O=C(N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1)C1(CCCC1)C#N
BDBM290022 O=C(N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1)C1(CCOCC1)C#N
BDBM290023 CC(C#N)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
BDBM290024 CC1(O)CC(C1)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |(-12.21,.94,;-10.72,1.34,;-11.12,2.83,;-9.23,1.74,;-8.83,.25,;-10.32,-.15,;-7.5,-.52,;-7.5,-2.06,;-6.17,.25,;-4.83,-.52,;-3.5,.25,;-3.5,1.79,;-2.17,2.56,;-.83,1.79,;.5,2.56,;1.84,1.79,;1.84,.25,;3.17,-.52,;3.17,-2.06,;4.5,-2.83,;5.84,-2.06,;5.84,-.52,;7.17,.25,;8.5,-.52,;8.5,-2.06,;7.17,-2.83,;9.84,.25,;9.84,1.79,;11.3,2.27,;12.21,1.02,;11.3,-.22,;1.84,-2.83,;.5,-2.06,;.5,-.52,;-.83,.25,;-4.83,2.56,;-6.17,1.79,)|
BDBM290025 O[C@H]1CCC[C@H]1C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |r|
BDBM289861 OCC1CN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1
BDBM289862 O[C@H]1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 |r|
BDBM289863 O[C@@H]1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 |r|
BDBM289886 NC(=O)C1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM289887 CC(=O)NC1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM289884 CC(=O)N1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM289885 OC1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM289888 O[C@H]1CCN(C2CCN(Cc3ccc4cc(Oc5ncc(cn5)-c5ccn[nH]5)ccc4c3)CC2)C1=O |r|
BDBM289890 C[C@H](O)C(=O)N1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)CC1 |r|
BDBM289907 CC1(O)CN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)C1
BDBM289908 OCC(=O)N1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM289905 O[C@@H]1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)C1 |r|
BDBM289906 O[C@H]1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)C1 |r|
BDBM289909 OC1CN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)C1
BDBM289910 O=C(CC#N)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1
BDBM289941 CC(C)(O)C(=O)N1CCN(CCC2COc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
BDBM289942 OCC(=O)N1CCN(CCc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
BDBM289939 CO[C@@H](C)C(=O)N1CCN(Cc2cn3cc(Oc4ccc(cc4)-c4cnc[nH]4)ccc3n2)CC1 |r|
BDBM289940 CO[C@H](C)C(=O)N1CCN(Cc2cn3cc(Oc4ccc(cc4)-c4ccn[nH]4)ccc3n2)CC1 |r|
BDBM289943 C[C@H](O)C(=O)N1CCN(CCc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1 |r|
BDBM289944 C[C@H](O)C(=O)N1CCN(CCC2COc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1 |r|
BDBM289969 OC1(CC1)C(=O)N1CCN(Cc2cn3cc(Oc4ccc(cc4)-c4ccn[nH]4)ccc3n2)CC1
BDBM289970 CC(=O)N1CCCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
BDBM289967 C[C@@H](O)C(=O)N1CCN(Cc2cn3cc(Oc4ccc(cc4)-c4ccn[nH]4)ccc3n2)CC1 |r|
BDBM289968 CC(=O)N1CCN(Cc2cn3cc(Oc4ccc(cc4)-c4ccn[nH]4)ccc3n2)CC1
BDBM289971 CN([C@@H]1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)C1)C(=O)CO |r|
BDBM289972 CN([C@H]1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)C1)C(=O)CO |r|
BDBM289988 CN([C@H]1CCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)C1)C(=O)CO |r|
BDBM289989 OCC(=O)N1CCC2(CCN(Cc3coc4cc(Oc5ccc(cn5)-c5ccn[nH]5)ccc34)C2)C1
BDBM289990 O=C(N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1)C1(CC1)C#N
BDBM289991 C[C@H](O)CC(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |r|
BDBM289992 CO[C@@H](C)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |r|
BDBM289993 OC1(CCCC1)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
BDBM290011 CC(C)[C@H](O)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |r|
BDBM290012 OCC1(CC1)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
BDBM290013 OC1CC(C1)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |(-12.13,2.24,;-10.8,1.47,;-9.31,1.87,;-8.91,.39,;-10.4,-.01,;-7.58,-.38,;-7.58,-1.92,;-6.24,.39,;-4.91,-.38,;-3.58,.39,;-3.58,1.93,;-2.24,2.7,;-.91,1.93,;.43,2.7,;1.76,1.93,;1.76,.39,;3.09,-.38,;3.09,-1.93,;4.43,-2.7,;5.76,-1.93,;5.76,-.39,;7.09,.38,;8.43,-.39,;8.43,-1.93,;7.09,-2.7,;9.76,.38,;9.76,1.92,;11.23,2.4,;12.13,1.15,;11.23,-.09,;1.76,-2.7,;.43,-1.93,;.43,-.38,;-.91,.39,;-4.91,2.7,;-6.24,1.93,)|
BDBM290014 CO[C@H](C)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |r|
BDBM290015 O=C([C@@H]1CCOC1)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |r|
BDBM289976 CNC(=O)C1CCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
BDBM289973 CN(Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1)[C@@H]1CCN(C1)C(=O)CO |r|
BDBM289974 CN(Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1)[C@H]1CCN(C1)C(=O)CO |r|
BDBM289975 OCC(=O)N1CCC2(CCN(Cc3ccc4cc(Oc5ccc(cn5)-c5ccn[nH]5)ccc4n3)C2)C1
BDBM289994 CC(C)[C@@H](O)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |r|
BDBM289995 C[C@@H](O)CC(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |r|
BDBM289996 CC(C)(O)CC(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
BDBM289892 CN(CC1CN(C1)C(C)=O)Cc1ccc2cc(Oc3ncc(cn3)-c3ccn[nH]3)ccc2c1
BDBM289891 CN(C1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)CC1)C(=O)CO
BDBM289893 O=C1OCCN1C1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM289913 CO[C@@H](C)C(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1 |r|
BDBM289914 O=C([C@H]1CCCO1)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1 |r|
BDBM289911 CC(C)(C#N)C(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1
BDBM289912 CO[C@H](C)C(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1 |r|
BDBM289915 O=C([C@@H]1CCCO1)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1 |r|
BDBM289997 C[C@@H](O)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |r|
BDBM289998 CCOCC(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
BDBM289999 CC(C)(O)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
BDBM289927 CCS(=O)(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1
BDBM289928 O=C1CCCN1C1CCN(CCC2COc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
BDBM289929 O=C1OCCN1C1CCN(CCC2COc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
BDBM289951 OCC(=O)N1CCN(Cc2cn3cc(Oc4ccc(cc4)-c4cnc[nH]4)ccc3n2)CC1
BDBM289946 CC(C)(O)C(=O)N1CCN(CCc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1
BDBM289952 C[C@H](O)C(=O)N1CCN(Cc2cn3cc(Oc4ccc(cc4)-c4ccn[nH]4)ccc3n2)CC1 |r|
BDBM82302 NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
BDBM50000541 CC(N(O)C(N)=O)c1cc2ccccc2s1
BDBM50022747 CC(C)C[C@H](NC(=S)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
BDBM50022752 COC(=O)C(S)[C@H](N)Cc1ccccc1
BDBM50024101 C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
BDBM50046330 COC(=O)C(=O)[C@@H](N)Cc1ccccc1
BDBM50046331 N[C@@H](Cc1ccccc1)[C@H](O)C(=O)NCC(O)=O
BDBM50046332 CCOC(=O)CC(F)(F)C(=O)\C=C\c1ccccc1
BDBM50046333 N[C@H](Cc1ccccc1)[C@H](O)C(=O)NCCC(O)=O
BDBM50046334 CC(C)C[C@H](NC(=S)[C@H](O)[C@@H](N)Cc1ccccc1)C(O)=O
BDBM50046335 N[C@@H](Cc1ccccc1)C(=O)CCCC(O)=O
BDBM50046337 N[C@@H](Cc1ccccc1)[C@H](O)C(=O)NCCC(O)=O
BDBM50046338 CCOC(=O)CC(F)(F)C(=O)c1[nH]cnc1C
BDBM50046339 N[C@@H](Cc1ccccc1)[C@H](O)C(O)=O
BDBM50046340 COC(=O)[C@@H](O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1
BDBM50046313 N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1
BDBM50046314 N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(=O)OCc1ccccc1
BDBM50046315 N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccc(cc1)C(F)(F)F
BDBM50046317 CC(C)C[C@H](NC(=O)C(S)C(N)Cc1ccccc1)C(O)=O
BDBM50046316 N[C@H](CS)Cc1ccc(OCc2ccccc2)cc1
BDBM50046318 NC(Cc1ccccc1)P(O)(=O)NCC(O)=O
BDBM50046319 N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cccc(c1)C(O)=O
BDBM50046320 N[C@@H](Cc1ccccc1)[C@H](O)C(=O)OCc1ccccc1
BDBM50046321 N[C@@H](Cc1ccc(OCc2ccccc2)cc1)[C@H](O)C(=O)OCc1ccccc1
BDBM50046322 COC(=O)[C@H](O)[C@@H](N)Cc1ccccc1
BDBM50046323 COC(=O)C(S)C(N)Cc1ccccc1
BDBM50046324 CC(C)C[C@H](NC(=S)[C@H](O)[C@H](N)Cc1ccccc1)C(O)=O
BDBM50046325 CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1)C(O)=O
BDBM50046326 CC(C)C[C@H](NC(=O)C(=O)[C@@H](N)Cc1ccccc1)C(O)=O
BDBM50046327 N[C@@H](Cc1ccccc1)C(=O)Cc1ccccc1
BDBM50046328 N[C@@H](Cc1ccccc1)[C@H](O)C(=O)NCc1ccccc1
BDBM50046329 COC(=O)C(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1
BDBM50056999 CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O
BDBM50085251 C(CN1CCCC1)Oc1ccc(cc1)-c1ccccc1
BDBM50085252 C(CN1CCCC1)Oc1ccc(CNc2ccccc2)cc1
BDBM50085253 Fc1cc(Cc2ccccc2)ccc1OCCN1CCCC1
BDBM50085296 C(CN1CCCC1)Oc1ncc(Cc2ccccc2)o1
BDBM50085297 CC1CCCC(C)N1CCOc1ccc(Cc2ccccc2)cc1
BDBM50085298 C(CN1CCCC1)Oc1ccc(Cc2ccoc2)cc1
BDBM50085254 Clc1cc(Cc2ccccc2)ccc1OCCN1CCCC1
BDBM50085255 C(CN1CCCC1)Oc1ccc(Oc2ccc(cc2)-c2ncco2)cc1
BDBM50085256 COc1cccc(Cc2ccc(OCCN3CCCC3)cc2)c1
BDBM50085299 C(CN1CCCC1)Oc1ccc(Cc2ccsc2)cc1
BDBM50085300 O=S(Cc1ccccc1)c1ccc(OCCN2CCCC2)cc1
BDBM50085301 C(CN1CCCC1)Oc1ccc(Cc2cncs2)cc1
BDBM50085257 O=S(=O)(Cc1ccccc1)c1ccc(OCCN2CCCC2)cc1
BDBM50085258 C(CN1CCCC1)Oc1ccc(Oc2ccc(cc2)C2=NCCO2)cc1 |t:21|
BDBM50085259 C(CN1CCCC1)Sc1ccc(Cc2ccccc2)cc1
BDBM50085302 C(CN1CCCC1)Oc1ccc(cc1)[C@@H]1C[C@H]1c1ccccc1
BDBM50085303 C(CN1CCCC1)Oc1cccc(c1)-c1ccccc1
BDBM50085260 CCN(CC)CCOc1ccc(Cc2ccccc2)cc1
BDBM50085261 CN(C)CCOc1ccc(Cc2ccccc2)cc1
BDBM50085262 C(CN1CCCC1)Oc1ccc(Cc2ccccc2)s1
BDBM50085263 C(CN1CC2CCC1C=C2)Oc1ccc(Cc2ccccc2)cc1 |c:9,THB:1:2:8.9:6.5|
BDBM50085264 C(CN1CCCC1)Cc1ccc(Cc2ccccc2)cc1
BDBM50085265 COc1ccccc1Cc1ccc(OCCN2CCCC2)cc1
BDBM50085304 C(CN1CCCC1)O[C@H]1CCC(CC1)c1ccccc1 |wD:8.8,(17.26,-14.76,;18.61,-15.52,;19.93,-14.75,;21.34,-15.36,;22.37,-14.22,;21.58,-12.89,;20.09,-13.21,;15.94,-15.56,;14.54,-16.21,;13.25,-15.33,;11.87,-16.01,;11.76,-17.53,;13.02,-18.42,;14.41,-17.74,;10.36,-18.19,;10.25,-19.71,;8.85,-20.38,;7.59,-19.51,;7.71,-17.97,;9.1,-17.3,)|
BDBM50085305 Clc1cccc(Cc2ccc(OCCN3CCCC3)cc2)c1
BDBM50085306 CC(C)N(CCOc1ccc(Cc2ccccc2)cc1)C(C)C
BDBM50085307 C(CN1CCCC1)Oc1ccc(SCc2ccccc2)cc1
BDBM50085308 COc1ccc(Cc2ccc(OCCN3CCCC3)cc2)cc1
BDBM50085309 C(CN1CCCC1)Oc1ccc(NCc2ccccc2)cc1
BDBM50085266 C(CN1CCCC1)Oc1ccc(Cc2cscn2)cc1
BDBM50085267 C(CN1CCCC1)OCc1ccc(Cc2ccccc2)cc1
BDBM50085310 C(CN1CCCC1)Oc1ccc(CCc2ccccc2)cc1
BDBM50085311 C(CN1CCCC1)Oc1ccc(CSc2ccccc2)cc1
BDBM50085312 C(CN1CCCC1)Nc1ccc(Cc2ccccc2)cc1
BDBM50085268 Fc1cc(OCCN2CCCC2)ccc1Cc1ccccc1
BDBM50085269 C(CN1CCCC1)Oc1ccc(\C=C\c2ccccc2)cc1
BDBM50085270 C(CN1CC2CC1CN2)Oc1ccc(Cc2ccccc2)cc1 |THB:1:2:5:8.7|
BDBM50085271 O=S(CCN1CCCC1)c1ccc(Cc2ccccc2)cc1
BDBM50085272 C(CN1CCCC1)Oc1ncc(Cc2ccccc2)s1
BDBM50085273 O=C(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
BDBM50085274 C(CN1CCCC1)Oc1ccc(Cc2ccncc2)cc1
BDBM50085275 COc1cc(OCCN2CCCC2)ccc1Cc1ccccc1
BDBM50085276 C(CN1CCCC1)Oc1ccc(CC2CCCCC2)cc1
BDBM50085277 FC(F)(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
BDBM50085278 O=C(Nc1ccc(OCCN2CCCC2)cc1)c1ccccc1
BDBM50085279 C(CN1CCCC1)Oc1ccc(Cc2ccccc2)cc1
BDBM50085280 C(\C=C\c1ccc(Cc2ccccc2)cc1)N1CCCC1
BDBM50085281 Clc1ccc(Cc2ccc(OCCN3CCCC3)cc2)cc1
BDBM50085282 C(CN1CCCC1)Oc1ccc(Cc2ccccc2)cn1
BDBM50085283 C(CN1CCCCCC1)Oc1ccc(Cc2ccccc2)cc1
BDBM50085284 CN1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
BDBM50085285 C(CN1CCCCC1)Oc1ccc(Cc2ccccc2)cc1
BDBM50085243 CC(CN1CCCC1)Oc1ccc(Cc2ccccc2)cc1
BDBM50085244 C(c1ccccc1)c1ccc(cc1)C1C[C@@H](C1)N1CCCC1 |wU:15.19,(5.75,-16.33,;4.44,-17.11,;3.09,-16.34,;1.78,-17.11,;1.78,-18.65,;3.09,-19.42,;4.44,-18.65,;7.1,-17.08,;7.1,-18.62,;8.44,-19.39,;9.76,-18.62,;9.75,-17.07,;8.42,-16.31,;11.1,-19.38,;11.52,-20.85,;12.99,-20.45,;12.59,-18.96,;14.34,-21.22,;15.54,-20.28,;16.82,-21.15,;16.37,-22.63,;14.83,-22.66,)|
BDBM50085286 C(CN1CCCC1)Oc1ccc(Cc2ccccc2)nc1
BDBM50085287 OC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
BDBM50085288 C(CN1CCCC1)Oc1ccc(Oc2ccc(cc2)-c2ccccc2)cc1
BDBM50085245 C(CN1CCCC1)Oc1ccc(Oc2ccccc2)cc1
BDBM50085246 C(CN1CCCC1)Oc1ccc(Cc2cccnc2)cc1
BDBM50085247 COc1cc(Cc2ccccc2)ccc1OCCN1CCCC1
BDBM50085289 C(CN1CCNCC1)Oc1ccc(Cc2ccccc2)cc1
BDBM50085290 NCCOc1ccc(Cc2ccccc2)cc1
BDBM50085291 C(CN1CCCC1)Oc1ccc(Cc2nccs2)cc1
BDBM50085248 C(CN1CCCC1)Oc1ccc(OCc2ccccc2)cc1
BDBM50085249 Cc1cc(OCCN2CCCC2)ccc1Cc1ccccc1
BDBM50085250 Cc1cc(Cc2ccccc2)ccc1OCCN1CCCC1
BDBM50085292 C(CN1CCCC1)Oc1ccc(Cc2ccco2)cc1
BDBM50085294 C(CN1CCOCC1)Oc1ccc(Cc2ccccc2)cc1
BDBM50085295 CCCCCCCOc1ccc(OCCN2CCCC2)cc1
BDBM50085531 Oc1ccc(CCc2cc(O)cc(O)c2)cc1
BDBM50105264 C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C([O-])=O
BDBM50116529 COC(=O)CCN(C)CCCOc1ccc(Cc2cccs2)cc1
BDBM50116530 CCOC(=O)CCNCCCOc1ccc(Cc2ccccc2)cc1
BDBM50116531 OC(=O)CCNCCCCOc1ccc(Cc2ccccc2)cc1
BDBM50116532 CCOC(=O)CNCCCCOc1ccc(Cc2ccccc2)cc1
BDBM50116533 CN(CCCOc1ccc(Oc2ccccc2)cc1)CCC(O)=O
BDBM50116534 CCOC(=O)CNCCOc1ccc(Cc2ccccc2)cc1
BDBM50116535 CN(CCCOc1ccc(Oc2ccc(cc2)-c2ncco2)cc1)CCC(O)=O
BDBM50116536 CN(CCCOc1ccc(Cc2ccc(F)cc2)cc1)CCC(O)=O
BDBM50116537 CN(CCCOc1ccc(Oc2ccc(cc2)-c2ccccc2)cc1)CCC(O)=O
BDBM50116538 CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(O)=O
BDBM50116539 CCOC(=O)CCN(C)CCCCOc1ccc(Cc2ccccc2)cc1
BDBM50116540 OC(=O)CCNCCCOc1ccc(Cc2ccccc2)cc1
BDBM50116541 COC(=O)CCN(C)CCCOc1ccc(Cc2ccsc2)cc1
BDBM50116542 CN(CCCOc1ccc(Cc2cccs2)cc1)CCC(O)=O
BDBM50116543 COC(=O)CCN(C)CCCOc1ccc(Cc2cccnc2)cc1
BDBM50116544 CN(CCCOc1ccc(Cc2ccccc2)cc1)CCS(N)(=O)=O
BDBM50116545 CCOC(=O)CNCCCCCOc1ccc(Cc2ccccc2)cc1
BDBM50116546 CN(CCCOc1ccc(Cc2ccccc2)cc1)CCS(O)(=O)=O
BDBM50116547 COC(=O)CCNCCOc1ccc(Cc2ccccc2)cc1
BDBM50116548 CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(N)=O
BDBM50116549 CCOC(=O)CNCCCOc1ccc(Cc2ccccc2)cc1
BDBM50116550 CCOC(=O)CCCCNCCOc1ccc(Cc2ccccc2)cc1
BDBM50116551 COC(=O)CCCN(C)CCOc1ccc(Cc2ccccc2)cc1
BDBM50116552 CCOC(=O)CCCNCCOc1ccc(Cc2ccccc2)cc1
BDBM50116553 CN(CCCOc1ccc(Oc2ccc(cc2)-c2nccs2)cc1)CCC(O)=O
BDBM50116554 CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(=O)NS(C)(=O)=O
BDBM50116555 CN(CCCOc1ccc(Cc2ccccc2)cc1)CCn1cnnn1
BDBM50116556 CCOC(=O)CN(C)CCCCOc1ccc(Cc2ccccc2)cc1
BDBM50116557 CN(CCCCOc1ccc(Cc2ccccc2)cc1)CC(O)=O
BDBM50116558 CN(CCCOc1ccc(Oc2ccc(F)cc2)cc1)CCC(O)=O
BDBM50116559 CCOC(=O)CCN(C)CCCOc1ccc(Cc2ccccc2)cc1
BDBM50116560 CN(CCCOc1ccc(Cc2ccsc2)cc1)CCC(O)=O
BDBM50116561 CCOC(=O)CCNCCCCOc1ccc(Cc2ccccc2)cc1
BDBM50116562 OC(=O)CNCCCCOc1ccc(Cc2ccccc2)cc1
BDBM50116563 CN(CCCOc1ccc(Cc2ccccc2)cc1)CCC(=O)NS(=O)(=O)c1ccccc1
BDBM50121000 COC(=O)CC1CC2CC1CN2CCOc1ccc(Cc2ccccc2)cc1 |THB:4:5:11.10:8|
BDBM50121001 OCC1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
BDBM50121002 OC(=O)C1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
BDBM50121003 NC(=O)C1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1
BDBM50121004 N#CC1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
BDBM50121005 NC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
BDBM50121006 NC(=O)N1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
BDBM50121007 NC(=O)C1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
BDBM50121008 CC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
BDBM50121009 NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1
BDBM50121010 COC(=O)C1CC2CC1CN2CCOc1ccc(Cc2ccccc2)cc1 |THB:2:4:10.9:7|
BDBM50121011 CNC(=O)C1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
BDBM50121012 COC(=O)C1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1
BDBM50121013 COC(=O)[C@@H]1CCCN1CCOc1ccc(Cc2ccccc2)cc1
BDBM50121014 CC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1
BDBM50121015 NC(=O)CC1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1
BDBM50121016 COC(=O)CC1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1
BDBM50121017 C(CN1CCC(CC1)c1nnn[nH]1)Oc1ccc(Cc2ccccc2)cc1
BDBM50121018 NC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1
BDBM50121019 CCOC(=O)CNC(=O)C1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
BDBM50121020 CCOC(=O)C1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
BDBM50121021 CCOC(=O)C1CCCN(CCOc2ccc(Cc3ccccc3)cc2)C1
BDBM50121023 OC1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1
BDBM50125419 C(Cn1cnc2ncnc2c1)Oc1ccc(Cc2ccccc2)cc1
BDBM50125420 C(Cn1ccc2ncnc2c1)Oc1ccc(Cc2ccccc2)cc1
BDBM50125421 [O-][n+]1ccc2ncn(CCOc3ccc(Cc4ccccc4)cc3)c2c1
BDBM50125422 C(Cn1cnc2cccnc12)Oc1ccc(Cc2ccccc2)cc1
BDBM50125423 C(Cn1cnc2cnccc12)Oc1ccc(Cc2ccccc2)cc1
BDBM50125424 C(Cn1cnc2ccncc12)Oc1ccc(Cc2ccccc2)cc1
BDBM50125425 C(Cn1ccnc1)Oc1ccc(Cc2ccccc2)cc1
BDBM50125426 C(Cn1cncc2ncnc12)Oc1ccc(Cc2ccccc2)cc1
BDBM50125427 C(Cn1cnc2ncncc12)Oc1ccc(Cc2ccccc2)cc1
BDBM50125428 C(Cn1cnc2ccccc12)Oc1ccc(Cc2ccccc2)cc1
BDBM50125429 N#Cc1nccc2n(CCOc3ccc(Cc4ccccc4)cc3)cnc12
BDBM50125430 O=c1ccc2ncn(CCOc3ccc(Cc4ccccc4)cc3)c2[nH]1
BDBM50125431 C(Cn1cccc2ncnc12)Oc1ccc(Cc2ccccc2)cc1
BDBM50125432 [O-][n+]1ccc2n(CCOc3ccc(Cc4ccccc4)cc3)cnc2c1
BDBM50125433 N#Cc1ccc2n(CCOc3ccc(Cc4ccccc4)cc3)cnc2n1
BDBM50125434 C(Cn1cnc2cncnc12)Oc1ccc(Cc2ccccc2)cc1
BDBM50125435 C(Cn1cnc2ncccc12)Oc1ccc(Cc2ccccc2)cc1
BDBM50240419 CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:5.4|
BDBM50251628 CN(CCNc1ccc(Oc2ccc(cc2)-c2ncco2)cc1)Cc1ccc(cc1)C(O)=O
BDBM50251586 CN(C[C@@H]1CCCN1Cc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1 |r|
BDBM50251587 CN(C[C@H]1CCCN1Cc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1 |r|
BDBM50251588 CN(CC1CCCN1CC(=O)Nc1ccc(Oc2ccccc2)cc1)Cc1ccc(cc1)C(O)=O
BDBM50251794 CN(C)CCCN(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50251795 CN(CCCN(C)Cc1ccccc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50251796 CN(CCCN(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1)CCCC(O)=O
BDBM50251797 CN(CCCCC(O)=O)CCCN(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50251803 COc1ccc(Oc2ccc(N[C@@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccc(cc3)C(O)=O)cc2)cc1 |r,THB:20:19:13.12.18:15.16|
BDBM50251804 OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
BDBM50251805 OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)-n3cccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
BDBM50251552 CN(Cc1ccc(cc1)C(O)=O)C1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
BDBM50251553 CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCCN(Cc2ccc(cc2)C(O)=O)CC1
BDBM50251704 OC(=O)c1ccc(CN2CCCC(C2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
BDBM50251705 OC(=O)c1ccc(CCN2CCCC(C2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
BDBM50251706 OC(=O)c1ccc(CN2CCC(C2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
BDBM50251707 OC(=O)c1ccc(CN2CCCC(CC2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
BDBM50251743 OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
BDBM50251744 OC(=O)c1ccc(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1 |r,THB:8:9:16.15.14:11.12|
BDBM50251745 OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
BDBM50251775 OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
BDBM50251776 OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccccc3Cl)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
BDBM50251777 OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
BDBM50251778 OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccccc3F)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
BDBM50251825 CN(CCCN(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1)CC1CCC(CC1)C(O)=O |(7.49,-15.66,;7.49,-14.12,;6.16,-13.35,;4.83,-14.12,;3.49,-13.35,;2.16,-14.12,;2.16,-15.66,;.83,-13.35,;-.51,-14.11,;-.51,-15.65,;-1.84,-13.34,;-3.18,-14.11,;-4.52,-13.34,;-5.85,-14.11,;-5.85,-15.66,;-7.18,-16.43,;-8.51,-15.65,;-9.85,-16.43,;-11.18,-15.66,;-11.18,-14.12,;-9.83,-13.35,;-8.51,-14.12,;-4.52,-16.43,;-3.18,-15.66,;8.83,-13.35,;10.16,-14.12,;10.15,-15.66,;11.48,-16.43,;12.81,-15.67,;12.82,-14.13,;11.49,-13.35,;14.15,-16.45,;14.14,-17.99,;15.48,-15.68,)|
BDBM50251826 CN(CCCN(C)Cc1ccc(cc1F)C(O)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50251827 CN(CCCN(C)Cc1ccc(cc1[N+]([O-])=O)C(O)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50251828 CN(CCCN(C)Cc1ccc(C(O)=O)c(F)c1)CC(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50251838 OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)-c3nccs3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
BDBM50251839 OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
BDBM50251840 OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3nc4ccccc4s3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
BDBM50251554 CN(Cc1ccc(cc1)C(O)=O)C1CCCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
BDBM50251555 CN(CC1CCCCN1CC(=O)Nc1ccc(Oc2ccccc2)cc1)Cc1ccc(cc1)C(O)=O
BDBM50251384 CN(CCCN(C)Cc1ccc(C(O)=O)c(Br)c1)CC(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50251385 CN(CCCN(C)Cc1ccc(o1)C(O)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50251386 CN(CCCN(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1)CCc1ccc(cc1)C(O)=O
BDBM50251387 CN(CCCN(C)Cc1ccc(cc1)S(N)(=O)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50251396 OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(OCc3ccccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
BDBM50251397 OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Cc3ccccc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
BDBM50251398 OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Cc3ccncc3)cc2)cc1 |r,THB:7:8:15.14.13:10.11|
BDBM50251399 CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2ccc(cc2)C(O)=O)CC1
BDBM50251520 OC(=O)c1ccc(CN2CCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1
BDBM50251521 OC(=O)c1ccc(CN2CCCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1
BDBM50251522 OC(=O)c1ccc(CN2CC3CC2CN3CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 |THB:7:8:14.13:11,15:14:11:8.9|
BDBM50251623 CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2ccc(cc2)C(O)=O)C1
BDBM50251626 OC(=O)c1ccc(CN2CCC(CC2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
BDBM50251420 CN(CCCN(C)Cc1ccc(cc1)-c1nnn[nH]1)CC(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50251422 OC(=O)c1ccc(CN2CCC(CC2)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
BDBM50251665 OC(=O)c1ccc(CCN2CCC(CC2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1
BDBM50251666 OC(=O)c1ccc(CN2CCC(CNc3ccc(Oc4ccc(cc4)-c4ncco4)cc3)CC2)cc1
BDBM50251446 CN(CCCN(C)Cc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50251447 CN(CCCN(C)Cc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(Oc2ccccc2F)cc1
BDBM50251448 CN(CCCN(C)Cc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(Cc2ccccc2)cc1
BDBM50251449 CN(CCCN(C)Cc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(Oc2ccc(F)cc2)cc1
BDBM50251454 OC(=O)c1ccc(CN2CCC(CC2)Nc2ccc(Oc3ccccc3)cc2)cc1
BDBM50251455 CN(C(=O)C1CCN(Cc2ccc(cc2)C(O)=O)CC1)c1ccc(Oc2ccccc2)cc1
BDBM50251471 CN(CCCN(C)Cc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
BDBM50251472 CN(CCCN(C)Cc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(OCC(O)c2ccccc2)cc1
BDBM50251473 CN(CCCN(C)Cc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(Oc2ccc(cc2)-c2ncco2)cc1
BDBM50251474 OC(=O)c1ccc(CNCCCNCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
BDBM50251498 CN(CCCNCC(=O)Nc1ccc(Oc2ccccc2)cc1)Cc1ccc(cc1)C(O)=O
BDBM50251499 CN(CCCNCc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50251500 CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(C)(C)CN(C)Cc1ccc(cc1)C(O)=O
BDBM50251501 CN(CCN(C)Cc1ccc(cc1)C(O)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50251667 OC(=O)c1ccc(CNC2CCC(CC2)Nc2ccc(Oc3ccc(cc3)-c3ncco3)cc2)cc1 |(15.61,-3.03,;15.6,-1.48,;16.91,-.7,;14.25,-.72,;12.93,-1.51,;11.59,-.75,;11.58,.78,;10.23,1.56,;8.89,.78,;7.55,1.55,;6.24,.76,;4.9,1.52,;4.89,3.07,;6.21,3.85,;7.55,3.1,;3.54,3.85,;2.2,3.07,;2.21,1.53,;.89,.75,;-.48,1.53,;-1.83,.77,;-3.16,1.57,;-4.5,.81,;-5.83,1.59,;-5.8,3.13,;-4.46,3.89,;-3.14,3.11,;-7.12,3.92,;-8.57,3.38,;-9.52,4.58,;-8.66,5.87,;-7.19,5.46,;-.47,3.07,;.86,3.85,;12.89,1.57,;14.23,.82,)|
BDBM50251668 CN(Cc1ccc(cc1)C(O)=O)C1CCC(CC1)Nc1ccc(Oc2ccc(cc2)-c2ncco2)cc1 |(36.8,-1.72,;36.79,-.18,;38.13,.59,;39.48,-.18,;39.49,-1.72,;40.83,-2.47,;42.15,-1.69,;42.13,-.15,;40.79,.6,;43.5,-2.45,;43.51,-3.99,;44.81,-1.67,;35.45,.58,;34.14,-.2,;32.8,.56,;32.79,2.1,;34.11,2.88,;35.45,2.13,;31.44,2.88,;30.1,2.1,;30.11,.56,;28.79,-.22,;27.43,.56,;26.07,-.2,;24.74,.6,;23.4,-.16,;22.07,.62,;22.1,2.17,;23.44,2.92,;24.76,2.15,;20.78,2.96,;19.33,2.42,;18.38,3.62,;19.24,4.91,;20.71,4.49,;27.43,2.1,;28.76,2.88,)|
BDBM50251627 CN(CCCNc1ccc(Oc2ccc(cc2)-c2ncco2)cc1)Cc1ccc(cc1)C(O)=O
BDBM50246061 CCCCCOc1ccc(Oc2ccc(O)cc2)cc1
BDBM50246062 NCCOc1ccc(Oc2ccccc2)cc1
BDBM50247069 NCCc1c[nH]c2c(OCc3ccccc3)cccc12
BDBM50247033 NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(O)=O
BDBM50247034 [O-][N+](=O)c1ccc(Cc2cc[n+](CC(=O)c3ccccc3)cc2)cc1
BDBM50246008 CCCCOc1ccc(Oc2ccccc2)cc1
BDBM50246009 CCCCCOc1ccc(Oc2ccccc2)cc1
BDBM50246010 CCCOc1ccc(Oc2ccc(O)cc2)cc1
BDBM50246011 CCCCOc1ccc(Oc2ccc(O)cc2)cc1
BDBM50279808 COC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1
BDBM50294164 NCc1ccc(s1)-c1cccs1
BDBM50294165 NCc1ccc(cc1)-c1cccs1
BDBM50294166 OC(c1ccncc1)c1ccc(OCCN2CCCC2)cc1
BDBM50294167 C(CN1CCCC1)Oc1ccc2[nH]ccc2c1
BDBM50294168 OC(=O)C1CCN(CCOc2ccc3[nH]ccc3c2)CC1
BDBM50294169 Clc1ccc2[nH]ccc2c1
BDBM50294170 Fc1ccc2[nH]ccc2c1
BDBM50294171 CNCc1ccccc1-c1cccs1
BDBM50294172 C(Nc1ccccc1)c1cccnc1
BDBM50294173 Fc1ccc(cc1)C(=O)c1ccncc1
BDBM50293592 Nc1nc(cs1)-c1ccc(O)cc1
BDBM50294161 OC(=O)CCCN1CCC[C@@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r|
BDBM50294162 O=C(c1ccc(OC[C@H]2CCCN2)cc1)c1ccc(cc1)-c1ccsc1 |r|
BDBM50294163 C(Nc1ccc(OC[C@H]2CCCN2)cc1)c1ccccc1 |r|
BDBM50292361 C[C@H](N)C(=O)CCCC[C@@H](C)C(O)=O |r|
BDBM50285641 C[C@H](NC(=O)[C@@H](CCS)CC1CCCCC1)C(O)=O
BDBM50285630 ONC(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(O)=O
BDBM50285631 C[C@H](NC(=O)[C@@H](CCC(=O)NO)Cc1ccccc1)C(O)=O
BDBM50285632 C[C@H](N(C)C(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(O)=O
BDBM50285634 ONC(=O)C[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@@H]1C(O)=O
BDBM50285635 ONC(=O)C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
BDBM50285636 ONC(=O)C[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(O)=O
BDBM50285637 CSCC[C@@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(O)=O
BDBM50285638 ONC(=O)C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(O)=O
BDBM50285639 C[C@H](NC(=O)[C@H](CC1CCCCC1)CC(=O)NO)C(O)=O
BDBM50285640 ONC(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
BDBM50285633 C[C@H](NC(=O)[C@@H](CC(O)=O)Cc1ccccc1)C(O)=O
BDBM50303649 OC(=O)CCCN1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r|
BDBM50303650 Clc1ccc(Oc2ccc(OC[C@H]3CCCN3)cc2)cc1 |r|
BDBM50303653 C(Cc1ccncc1)Oc1ccc(Cc2ccccc2)cc1
BDBM50303654 O=C(c1ccncc1)c1ccc(OCCN2CCCC2)cc1
BDBM50303655 Nc1ccccc1OCc1cccnc1
BDBM50303656 C(Oc1ccc(Cc2ccc(cc2)-c2ccsc2)cc1)[C@H]1CCCN1 |r|
BDBM50303657 OC(=O)CCN1CCC[C@@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r|
BDBM50303648 C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CCCN1 |r|
BDBM50303651 Ic1ccc(Oc2ccc(cc2)N2CCNCC2)cc1
BDBM50303652 C1CN(CCN1)c1ccc(Oc2ccccc2)cc1
BDBM50303658 C(Oc1ccc(Cc2ccccc2)cc1)[C@@H]1CCCN1 |r|
BDBM50317479 Clc1ccc(Oc2ccc(OC[C@@H]3CCCCN3)cc2)cc1 |r|
BDBM50317480 OC(=O)CN1CCCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r|
BDBM50317481 OC(=O)CCN1CCCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r|
BDBM50317482 OC(=O)CCCN1CCCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r|
BDBM50317483 OC(=O)CCCN1CCCC[C@@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r|
BDBM50317484 Clc1ccc(Oc2ccc(OC[C@@H]3CCCCN3Cc3ncon3)cc2)cc1 |r|
BDBM50317485 C(Oc1ccc(Cc2ccc(cc2)-c2cccs2)cc1)[C@@H]1CCCCN1 |r|
BDBM50317486 C(Oc1ccc(Cc2ccc(cc2)-c2ccsc2)cc1)[C@@H]1CCCCN1 |r|
BDBM50317487 C(Oc1ccc(Oc2ccc(cc2)-c2ccsc2)cc1)[C@@H]1CCCCN1 |r|
BDBM50317488 OC(=O)CCCN1CCCC[C@@H]1COc1ccc(Cc2ccc(cc2)-c2ccsc2)cc1 |r|
BDBM50317489 C(Oc1ccc(Cc2ccccc2)cc1)C1CN(Cc2ccccc2)CCN1
BDBM50317490 C(Oc1ccc(Cc2ccccc2)cc1)C1CNCCN1
BDBM50317491 C(Oc1ccc(Cc2ccccc2)cc1)C1CCCCN1
BDBM50317492 C(Oc1ccc(Oc2ccccc2)cc1)C1CCCCN1
BDBM50317493 C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CCCCN1 |r|
BDBM50317494 C(Oc1ccc(Oc2ccccc2)cc1)[C@H]1CCCCN1 |r|
BDBM50317495 C(Oc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCCN1 |r|
BDBM50317496 C(Oc1ccc(Oc2ccc(cc2)-c2ccccc2)cc1)[C@H]1CCCCN1 |r|
BDBM50317497 C(Oc1ccc(Oc2ccc(cc2)-c2ccccc2)cc1)[C@@H]1CCCCN1 |r|
BDBM50317498 FC(F)(F)c1ccc(Oc2ccc(OC[C@H]3CCCCN3)cc2)cc1 |r|
BDBM50317499 Fc1ccc(Oc2ccc(OC[C@@H]3CCCCN3)cc2)cc1 |r|
BDBM50317500 Clc1ccc(Cc2ccc(OC[C@H]3CCCCN3)cc2)cc1 |r|
BDBM50317501 Clc1ccc(Cc2ccc(OC[C@@H]3CCCCN3)cc2)cc1 |r|
BDBM50342776 OC(=O)c1ccc(CN2CC3CC(Nc4ccc(Oc5ccc(cc5)-c5ccccc5)cc4)C2CCC3)cc1 |THB:7:8:12.11:34.35.36|
BDBM50342777 OC(=O)c1ccc(CN2CC3CC(Nc4ccc(Oc5nc6ccccc6s5)cc4)C2CCC3)cc1 |THB:7:8:12.11:31.32.33|
BDBM50343903 [O-][N+](=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)c(c1)[N+]([O-])=O
BDBM50343904 C(CN1CCCC1)Oc1ccc(Oc2ccccn2)cc1
BDBM50343905 C(CN1CCCC1)Oc1ccc(Oc2ccncc2)cc1
BDBM50343906 CS(=O)(=O)c1ccccc1Oc1ccc(OCCN2CCCC2)cc1
BDBM50343907 CS(=O)(=O)c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1
BDBM50343908 CS(=O)(=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1
BDBM50343909 CS(=O)(=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)c(c1)[N+]([O-])=O
BDBM50343910 C(CN1CCCC1)Oc1ccc(Oc2cnccn2)cc1
BDBM50343911 [O-][N+](=O)c1cccnc1Oc1ccc(OCCN2CCCC2)cc1
BDBM50343912 FC(F)(F)c1ccccc1Oc1ccc(OCCN2CCCC2)cc1
BDBM50343913 FC(F)(F)c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1
BDBM50343914 FC(F)(F)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1
BDBM50343915 Fc1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1
BDBM50343916 Clc1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1
BDBM50343917 Brc1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1
BDBM50343918 Nc1ccccc1Oc1ccc(OCCN2CCCC2)cc1
BDBM50343919 Nc1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1
BDBM50343920 Nc1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1
BDBM50343921 CS(=O)(=O)N(c1ccccc1Oc1ccc(OCCN2CCCC2)cc1)S(C)(=O)=O
BDBM50343922 CS(=O)(=O)N(c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1)S(C)(=O)=O
BDBM50343923 CS(=O)(=O)Nc1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1
BDBM50343924 CN(c1ccccc1Oc1ccc(OCCN2CCCC2)cc1)S(C)(=O)=O
BDBM50343925 [O-][N+](=O)c1ccccc1Oc1ccc(OCCN2CCCC2)cc1
BDBM50343926 [O-][N+](=O)c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1
BDBM50343927 [O-][N+](=O)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1
BDBM50336493 NC1C(=O)Cc2ccccc12
BDBM50336494 NC1Cc2ccccc2CCC1=O
BDBM50336495 NC1CCc2ccccc2CC1=O
BDBM50336497 ONC1Cc2ccccc2CCC1=N
BDBM50359080 CCOc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
BDBM50397948 N[C@H]1CCc2ccccc2CC1=O |r|
BDBM50397949 N[C@H]1CCc2ccccc2[C@@H](CCCc2ccccc2)C1=O |r|
BDBM50397950 N[C@H]1CCc2ccccc2[C@@H](Cc2ccccc2)C1=O |r|
BDBM50397951 N[C@H]1CCc2ccccc2[C@@H](CCc2ccccc2)C1=O |r|
BDBM50397952 N[C@H]1CCc2ccccc2[C@@H](Sc2ccccc2)C1=O |r|
BDBM50397953 N[C@H]1CCc2ccccc2[C@H](Sc2ccccc2)C1=O |r|
BDBM50397954 N[C@H]1CCc2ccccc2[C@H](SCc2ccccc2)C1=O |r|
BDBM50397955 N[C@H]1CCc2ccccc2[C@H](F)C1=O |r|
BDBM50397956 N=C1CCc2ccccc2C(Cc2ccccc2)C1=O
BDBM50397957 N[C@H]1CCc2ccccc2[C@H](CCc2ccccc2)C1=O |r|
BDBM50402382 CC(=O)NC1CC2CCC(C1)N2Cc1ccc(Oc2nc3ncccc3s2)cc1 |TLB:3:4:11:7.8|
BDBM50402383 CC(=O)N1CC2CC1CN2Cc1ccc(Oc2nc3ncccc3s2)cc1 |THB:10:9:6:4.3,1:3:8.9:6|
BDBM50402384 CC(=O)N1CC2CN(Cc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1
BDBM50402385 O=C1CCCN1C1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)CC1
BDBM50402386 CC(=O)NC1CC2CCC(C1)N2CCc1ccc(Oc2nc3ncccc3s2)cc1 |TLB:3:4:11:7.8,THB:12:11:4.5.10:7.8|
BDBM50402387 CC(=O)N1CC2CC1CN2CCc1ccc(Oc2nc3ncccc3s2)cc1 |THB:1:3:8.9:6,10:9:6:4.3|
BDBM50402388 CC(=O)N1CC2CN(CCc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1
BDBM50402389 O=C1CCCN1C1CCN(CCc2ccc(Oc3nc4ncccc4s3)cc2)CC1
BDBM50402390 NC(=O)C1CCN(CCc2ccc(Oc3nc4ncccc4s3)cc2)CC1
BDBM50402391 C(Cc1ccc(Oc2nc3ncccc3s2)cc1)N1CCCCC1
BDBM50402392 CC(=O)NC1CC2CCC(C1)N2CCOc1ccc(Oc2nc3ncccc3s2)cc1 |TLB:3:4:11:7.8|
BDBM50402393 CC(=O)N1CC2CC1CN2CCOc1ccc(Oc2nc3ncccc3s2)cc1 |THB:10:9:6:4.3,1:3:8.9:6|
BDBM50402394 CC(=O)N1CC2CN(CCOc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1
BDBM50402395 O=C1CCCN1C1CCN(CCOc2ccc(Oc3nc4ncccc4s3)cc2)CC1
BDBM50402396 NC(=O)C1CCN(CCOc2ccc(Oc3nc4ncccc4s3)cc2)CC1
BDBM50402397 C(CN1CCCCC1)Oc1ccc(Oc2nc3ncccc3s2)cc1
BDBM50402398 Fc1cnc2nc(Oc3ccc(CN4CCCCC4)cc3)sc2c1
BDBM50402399 Clc1cnc2nc(Oc3ccc(CN4CCCCC4)cc3)sc2c1
BDBM50402400 Cc1ccnc2nc(Oc3ccc(CN4CCCCC4)cc3)sc12
BDBM50402401 C(N1CCCCC1)c1ccc(Oc2nc3cnccc3s2)cc1
BDBM50402402 C(N1CCCCC1)c1ccc(Oc2nc3ccncc3s2)cc1
BDBM50402403 C(N1CCCCC1)c1ccc(Oc2nc3ncccc3s2)cc1
BDBM50402404 NC(=O)C1CCN(Cc2ccc(Oc3nc4cccnc4s3)cc2)CC1
BDBM50402405 NC(=O)C1CCN(Cc2ccc(Oc3nc4ncccc4s3)cc2)CC1
BDBM50424424 OC(=O)NCCc1c[nH]c2ccc(OCCOc3ccc(Oc4ccccc4)cc3)cc12
BDBM50424425 OC(=O)NCCc1c[nH]c2ccc(OCc3cccc(Oc4ccccc4)c3)cc12
BDBM50424426 OC(=O)NCCc1c[nH]c2ccc(OCc3ccc(cc3)-c3ccccc3)cc12
BDBM50424427 COC(=O)NCCc1c[nH]c2ccc(OCCOc3ccc(Oc4ccccc4)cc3)cc12
BDBM50424428 COC(=O)NCCc1c[nH]c2ccc(OCc3cccc(Oc4ccccc4)c3)cc12
BDBM50424429 COC(=O)NCCc1c[nH]c2ccc(OCc3ccc(cc3)-c3ccccc3)cc12
BDBM50424430 [NH3+]CCc1c[nH]c2ccc(OCCOc3ccc(Oc4ccccc4[N+]([O-])=O)cc3)cc12
BDBM50424431 [NH3+]CCc1c[nH]c2ccc(OCCOc3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)cc12
BDBM50424432 NCCc1c[nH]c2ccc(OCCOc3ccc(Oc4ccccc4)cc3)cc12
BDBM50424433 NCCc1c[nH]c2ccc(OCc3cccc(Oc4ccccc4)c3)cc12
BDBM50424434 NCCc1c[nH]c2ccc(OCc3ccc(cc3)-c3ccccc3)cc12
BDBM50424435 NCCc1c[nH]c2ccc(OCc3cccc4ccccc34)cc12
BDBM50424436 NCCc1c[nH]c2ccc(OCc3ccc4ccccc4c3)cc12
BDBM50425147 OC(=O)C1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)CC1
BDBM50425148 OC(=O)C1CCN(Cc2coc3cc(Oc4nc5ccccc5s4)ccc23)CC1
BDBM50425149 C(N1CCOCC1)c1coc2cc(Oc3nc4ncccc4s3)ccc12
BDBM50425150 C(N1CCOCC1)c1coc2cc(Oc3nc4ccccc4s3)ccc12
BDBM50425151 C(N1CCCCC1)c1coc2cc(Oc3nc4ncccc4s3)ccc12
BDBM50425152 C(N1CCCCC1)c1cc2ccc(Oc3nc4ncccc4s3)cc2o1
BDBM50425153 C(N1CCCCC1)c1cc2cc(Oc3nc4ncccc4s3)ccc2o1
BDBM50425154 C(N1CCCCC1)c1coc2cc(Oc3nc4ccccc4s3)ccc12
BDBM50425155 CC(=O)N1CC2CC1CN2Cc1coc2cc(Oc3nc4cccnc4s3)ccc12
BDBM50425156 CC(=O)N1CC2CC1CN2Cc1coc2cc(Oc3nc4cnccc4s3)ccc12
BDBM50425157 CC(=O)N1CC2CC1CN2Cc1coc2cc(Oc3nc4ncccc4s3)ccc12
BDBM50425158 CC(=O)N1CC2CC1CN2Cc1cc2ccc(Oc3nc4cccnc4s3)cc2o1
BDBM50425159 CC(=O)N1CC2CC1CN2Cc1cc2ccc(Oc3nc4cnccc4s3)cc2o1
BDBM50425160 CC(=O)N1CC2CC1CN2Cc1cc2ccc(Oc3nc4ncccc4s3)cc2o1
BDBM50425161 CC(=O)N1CC2CC1CN2Cc1cc2cc(Oc3nc4cccnc4s3)ccc2o1
BDBM50425162 CC(=O)N1CC2CC1CN2Cc1cc2cc(Oc3nc4cnccc4s3)ccc2o1
BDBM50425163 CC(=O)N1CC2CC1CN2Cc1cc2cc(Oc3nc4ncccc4s3)ccc2o1
BDBM50425164 CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1coc2cc(Oc3nc4ncccc4s3)ccc12 |r|
BDBM50425165 CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1coc2cc(Oc3nc4ccccc4s3)ccc12 |r|
BDBM50425166 CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1coc2cc(Oc3nc4ncccc4s3)ccc12 |r,THB:12:11:10.4.5:7.8|
BDBM50425167 CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1coc2cc(Oc3nc4ccccc4s3)ccc12 |r,THB:12:11:10.4.5:7.8|
BDBM50425168 O=C1CCCN1C1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)CC1
BDBM50425169 O=C1CCCN1C1CCN(Cc2coc3cc(Oc4nc5ccccc5s4)ccc23)CC1
BDBM50425170 CC(=O)NC1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)CC1
BDBM50425171 CC(=O)NC1CCN(Cc2coc3cc(Oc4nc5ccccc5s4)ccc23)CC1
BDBM50425172 C(N1CCCCC1)c1cc2ccc(Oc3nc4ccccc4s3)cc2o1
BDBM50425173 C(N1CCCCC1)c1cc2cc(Oc3nc4ccccc4s3)ccc2o1
BDBM50441908 Cc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCN(CC1)c1ccccc1
BDBM50441909 Clc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCN(CC1)c1ccccc1
BDBM50441910 N=c1scc(-c2ccccc2)n1CC(=O)N1CCN(CC1)c1ccccc1
BDBM50441911 CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(C)cc1
BDBM50441912 CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(Cl)cc1
BDBM50441913 CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccccc1
BDBM50441914 CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(C)cc1
BDBM50441915 CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(Cl)cc1
BDBM50441916 CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccccc1
BDBM50441917 Cc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCOCC1
BDBM50441918 Clc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCOCC1
BDBM50441919 N=c1scc(-c2ccccc2)n1CC(=O)N1CCOCC1
BDBM217343 CN(CC1CN(C1)C(C)=O)Cc1cnc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2c1
BDBM217341 CCC(=O)N1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM217342 CN(C1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1)C(=O)CO
BDBM217344 O[C@@H]1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 |r|
BDBM217345 C[C@H](O)C(=O)N1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1 |r|
BDBM217346 CN(C)C(=O)C1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM217347 CC(C)(O)C(=O)N1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM217348 CC(C)(C)C(=O)N1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM217350 CC(C)C(=O)N1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM217349 O=C(C1CC1)N1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM217328 OCC(=O)N1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM217330 OC1CN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1
BDBM217331 COCC(=O)N1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM217329 CC(=O)N1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM217332 O[C@H]1CCN(C2CCN(Cc3cnc4cc(Oc5ccc(cn5)-c5ccn[nH]5)ccc4c3)CC2)C1=O |r|
BDBM217333 O=C1OCCN1C1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM217334 OC1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1
BDBM217336 CN(Cc1cnc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2c1)[C@@H]1CCN(C1)C(=O)CO |r|
BDBM217337 CN(Cc1cnc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2c1)[C@H]1CCN(C1)C(=O)CO |r|
BDBM217335 CC1(O)CN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1
BDBM217338 CN([C@H]1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1)C(=O)CO |r|
BDBM217339 CN([C@@H]1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1)C(=O)CO |r|
BDBM217340 O[C@H]1CCN(Cc2cnc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 |r|
BDBM50197085 CN(C)CCOc1ccc(Oc2ccccc2)cc1
BDBM50210056 CCCCCC(O)CC(=O)CCc1ccc(O)c(OC)c1
BDBM50210058 CCCCCC(O)CC(=O)CCc1ccc(OC)c(OC)c1
BDBM50210060 CCCCCC(CC(=O)CCc1ccc(OC)c(OC)c1)OC
BDBM50210061 CCCCC\C=C\CCC(O)CC(=O)CCc1ccc(O)c(OC)c1
BDBM50210062 CCCCCC(CC(=O)CCc1ccc(OC(C)=O)c(OC)c1)OC(C)=O
BDBM50210063 CCCCC\C=C\C(=O)CCc1ccc(OC)c(OC)c1
BDBM50210064 [#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])-[#6]-[#6](=O)-[#6]-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c1
BDBM50210065 CCCCCC(CC(=O)CCc1ccc(O)c(OC)c1)OC
BDBM50210067 CCCCCC(O)CC(=O)CCc1cc(OC)c(O)c(c1)-c1cc(CCC(=O)CC(O)CCCCC)cc(OC)c1O
BDBM50210066 [H][C@@]1([#6]-[#6]=[#6](-[#6])-[#6](-[#8])-[#6@H]1-[#8])[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r,t:3|
BDBM50210068 CCCCCCCCCC(O)CC(=O)CCc1ccc(O)c(OC)c1
BDBM50210051 CCCC(O)CC(=O)CCc1ccc(O)c(OC)c1
BDBM50210052 COc1ccc(CCC(C)=O)cc1OC
BDBM50210053 CCCCC\C=C\C(=O)CCc1ccc(OC(C)=O)c(OC)c1
BDBM50210055 CCCCCC(O)CC(=O)CCc1ccc(OCC=C)c(OC)c1
BDBM50210057 CCCCCCCC(O)CC(=O)CCc1ccc(O)c(OC)c1
BDBM50197084 Nc1nc(cs1)-c1ccc(Cc2ccccc2)cc1