5514 SMILES Strings for Estrogen receptor

Compound Name
SMILES String
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CCC2C(C1)C[C@@H](O)C1C3CCC(C(C)CCC(O)=O)C3[C@@H](O)CC21 |r,c:18,t:11|
CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)O
C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CCC34)[C@@H]1CCC2O |r,c:11,t:8|
CC(C)(c1ccccc1)c2ccc(cc2)O
Oc1ccc(Oc2ccc(O)cc2)cc1
CC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1
Cc1cc(ccc1O)C(C)(c1ccccc1)c1ccc(O)c(C)c1
CC(CCC(O)=O)(c1ccc(O)cc1)c1ccc(O)cc1
Cc1cc(ccc1O)C1(CCCCC1)c1ccc(O)c(C)c1
Cc1cc(cc(C)c1O)C(C)(C)c1cc(C)c(O)c(C)c1
c1ccc(cc1)O
Oc1ccc(cc1)C1(N(C(=O)c2ccccc12)c1ccccc1)c1ccc(O)cc1
c1cc(cc(c1)O)O
Cc1cc(ccc1O)C1(c2ccccc2-c2ccccc12)c1ccc(O)c(C)c1
CC1CC(C)(C)CC(C1)(c1ccc(O)cc1)c1ccc(O)cc1
CC(C)(c1ccc(O)cc1)c1cccc(c1)C(C)(C)c1ccc(O)cc1
CC(C)(c1ccc(cc1)O)c2ccc(cc2)O
CC1(C)CC2(CC(C)(C)C3C=CC(O)=CC23)C2C=C(O)C=CC12 |c:10,13,22,t:19|
c1cc(ccc1c2ccc(cc2)O)O
CC(C)(C)c1cc(c(cc1O)C(C)(C)C)O
c1cc(ccc1C(=O)c2ccc(cc2)O)O
c1ccc2c(c1)C(=O)OC2(c3ccc(cc3)O)c4ccc(cc4)O
Cc1cc(ccc1O)O
CC12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1[C@H]([C@H]([C@@H]2O)O)O)O
Oc1ccc(cc1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2cc(O)ccc2CCC1 |r,c:8|
Oc1cccc(c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2cc(O)ccc2CCC1 |r,c:8|
Oc1ccc2CCCC(c3ccc4[nH]ccc4c3)=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c2c1 |r,t:19|
Oc1ccc2CCCC(c3ccc(F)cc3Cl)=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c2c1 |r,t:17|
Oc1ccc2c(CCCC(c3ccc(F)cc3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:18|
Oc1cccc(c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:8|
Cc1c(Cl)cccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9|
Oc1ccc2c(CCCC(c3cccc(F)c3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:18|
Cc1ccc(c(F)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9|
Oc1ccc(c(F)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9|
Oc1ccc(cc1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:8|
Oc1ccc2c(CCCC(c3ccc4[nH]ccc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
Cc1cc(ccc1Cl)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9|
Oc1ccc2c(CCCC(c3ccncc3F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:17|
Oc1ccc2c(CCCC(c3ccc(Cl)cc3F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:18|
Oc1ccc2c(CCCC(c3ccc(Cl)c(F)c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:18|
Cc1cc(F)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9|
Oc1ccc2c(CCCC(c3ccc(Cl)cc3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:18|
Oc1ccc2c(CCCC(c3ccc4cc[nH]c4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
Oc1ccc2c(CCCC(c3cccc4[nH]ccc34)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
Oc1ccc2c(CCCC(c3ccc4NCCc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
Oc1ccc2c(CCCC(c3cnc4[nH]ccc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
Cc1ccc(c(Cl)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9|
CC(C)(C)OC(=O)N1CCC(=CC1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10,14|
CN1CCC(=CC1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:4,8|
Oc1ccc2c(CCCC(C3=CCNCC3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:16,t:10|
CCOc1ccc(c(C)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
Oc1ccc2c(CCCC(c3ccc4occc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
COc1ccc(c(F)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10|
Cc1cc2cc(ccc2[nH]1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
Cc1cccc(c1C)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9|
Cc1cc(Cl)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9|
Cc1c(F)cccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9|
CCOc1ccc(cn1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10|
Cc1ccc(cc1F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9|
Cc1ccc(cc1Cl)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9|
Oc1ccc2c(CCCC(c3ccc(Cl)c(Cl)c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:18|
Oc1ccc2c(CCCC(c3cccc(Cl)c3F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:18|
COc1cc(F)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10|
COc1c(F)cccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10|
CCOc1ccc(c(F)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
CCOc1ccc(c(Cl)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
COc1ccc(c(C)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10|
Cc1ccc(c(F)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)c(F)c2CCC1 |r,c:9|
CCOc1ccc(c(C)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)c(F)c2CCC1 |r,c:11|
Oc1ccc2c(CCCC(c3ccc(Cl)cc3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1F |r,c:18|
Cc1ccc(c(F)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(cc2CCC1)C(O)=O |r,c:9|
Oc1ccc2c(CCCC(c3ccc4OCCOc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:21|
COc1cc(ccc1F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10|
c1cc(ccc1C2=C(CCCc3c2ccc(c3)C(=O)O)c4ccc(cc4Cl)Cl)O[C@H]5CCN(C5)CCCF
CCOc1ccc(c(F)c1F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
OC(=O)c1ccc2c(CCCC(c3ccc(Cl)c(F)c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
Oc1ccc2c(CCCC(c3ccc4ocnc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
OC(=O)c1ccc2c(CCCC(c3ccc(O)cc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:19|
CC(C)c1ccccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10|
Cc1ccccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:8|
Oc1ccc2c(CCCC(c3ccccc3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:17|
COc1ccc(c(c1)C#N)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
Oc1ccc2c(CCCC(c3ccccc3C(F)(F)F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
Oc1ccc2c(CCCC(c3ccc(F)cc3C(F)(F)F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:21|
CCOc1cc(F)c(cc1F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
COc1ccc(c(C)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(cc2CCC1)C(O)=O |r,c:10|
COc1ccc(c(OC)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
COc1ccc(c(c1)C(F)(F)F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:13|
Oc1ccc2c(CCCC(c3ccc(OC(F)F)c(F)c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:21|
Cc1cc(ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1)C(F)(F)F |r,c:8|
Oc1ccc2c(CCCC(c3ccc(nc3)C(F)(F)F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
Oc1ccc2c(CCCC(c3ccc(OC(F)F)cc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
CC(=O)N1c2ccc(cc2CC1(C)C)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:16|
CCOc1ccc(c(F)n1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
CC(C)(C)c1ccc(cc1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
Oc1ccc2c(CCCC(c3ccc4NCCCc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:21|
CCOc1cccc(c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10|
Oc1ccc2c(CCCC(c3ccc(OC(F)(F)F)cc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:21|
COc1ccc(cc1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9|
COc1cccc(c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9|
Oc1ccc2c(CCCC(c3ccc(cc3)C(F)(F)F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
Oc1ccc2c(CCCC(c3ccc(OC(F)F)c(F)c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1F |r,c:21|
CCOc1ncc(cc1Cl)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
CCc1ccccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9|
CCOc1ccc(c(F)n1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)c(F)c2CCC1 |r,c:11|
COc1ncc(cn1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9|
Oc1ccc2c(CCCC(c3cnc(nc3)C(F)(F)F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
Oc1ccc2c(CCCC(c3ccc(C#N)c(F)c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:19|
Oc1ccc2c(CCCC(c3cncc(Cl)c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:17|
Oc1ccc2c(CCCC(c3ccc(OC(F)F)nc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
COc1cc(F)c(cc1F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
COc1ccc(c(Cl)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10|
Oc1ccc2c(CCCC(c3cncc(F)c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:17|
COc1cc(C)c(cn1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10|
COc1cc(C)c(cc1C)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
COc1ccc(c(F)c1F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
Oc1ccc2c(CCCC(c3ccc(SC(F)(F)F)cc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:21|
CCOc1ccc(cc1Cl)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
Cc1cncc(c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:8|
COc1ccc(c(C)n1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10|
CC1(C)Cc2cc(ccc2O1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:13|
COc1ncc(cc1Cl)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10|
CCOc1cc(C)c(cc1C)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
COc1ncc(cc1C)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10|
COc1ncc(cc1F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10|
CCOc1ccc(c(F)c1Cl)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
COc1ccc(c(F)n1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10|
COc1c(F)cc(cc1F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
CCN1CCc2cc(ccc12)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:13|
CCOc1ncc(cn1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10|
COc1ccc(cn1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9|
COc1cc(ccn1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:9|
CCOc1ncc(cc1C)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
COc1ccc(cc1F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:10|
COc1c(F)ccc(c1F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
Cc1cc(ccc1Cl)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)c(F)c2CCC1 |r,c:9|
Oc1ccc2c(CCCC(c3ccc(OC(F)(F)F)cc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1F |r,c:21|
Oc1ccc2c(CCCC(c3ccc(F)cc3C(F)(F)F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1F |r,c:21|
Oc1ccc2c(CCCC(c3ccc(OC(F)F)cc3F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:21|
Oc1ccc2c(CCCC(c3ccc(OC(F)(F)F)cc3F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:22|
Oc1ccc2c(CCCC(c3ccc(Cl)nc3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:18|
Oc1ccc2c(CCCC(c3ccc(OCC(F)(F)F)cc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:22|
CCOc1c(F)cc(cc1F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
Oc1ccc2c(CCCC(c3ccc(Cl)cc3F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1F |r,c:18|
Oc1ccc2c(CCCC(c3cccc(F)c3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1F |r,c:18|
Cc1cc(ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)c(F)c2CCC1)C(F)(F)F |r,c:8|
Oc1ccc2c(CCCC(c3ccc(cc3)C(F)(F)F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1F |r,c:20|
CCOc1ccc(c(C)n1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
Cn1ccc2cc(ccc12)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
Oc1ccc2c(CCCC(c3ccc(Cl)nc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:17|
CNC(=O)c1ccc(cc1F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
Oc1ccc2c(CCCC(c3ccc(nc3F)C(F)(F)F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:21|
Oc1ccc2c(CCCC(c3ccc(OCCF)cc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
CCOc1ccc(c(C)c1C)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
CCOc1ncc(cc1C(F)(F)F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:14|
CN1CCOc2cc(ccc12)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:13|
Oc1ccc2c(CCCC(c3ccc4OC(F)(F)Oc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:22|
CCN1C(=O)COc2ccc(cc12)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:15|
Oc1ccc2c(CCCC(c3ccc(OC(F)(F)F)cc3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:22|
Oc1ccc2c(CCCC(c3cc(F)c(OC(F)F)c(F)c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:22|
CC(C)(C)c1ccc(cc1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)c(F)c2CCC1 |r,c:11|
CCOc1cc(C)c(cn1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
CCOc1c(F)cc(cc1Cl)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
Nc1ncc(cn1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:8|
Oc1ccc2c(CCCC(c3ccc(cc3)C(F)F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:19|
Oc1ccc2c(CCCC(c3ccc(OC(F)F)cc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1F |r,c:20|
Oc1ccc2c(CCCC(c3cc(F)c(OC(F)(F)F)c(F)c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:23|
Cc1cc(OC(F)F)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
Cc1cc(OC(F)(F)F)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:13|
CN1C(=O)COc2ccc(cc12)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:14|
Oc1ccc2c(CCCC(c3ccc4OCC(=O)Nc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:22|
CCOc1ccc(c(Cl)c1Cl)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
Cc1cc(ccc1OC(F)(F)F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:13|
Oc1ccc2c(CCCC(c3ccc(OC(F)(F)F)c(Cl)c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:22|
Oc1ccc2c(CCCC(c3cccc4ncccc34)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:21|
Oc1ccc2c(CCCC(c3ccncc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:16|
Oc1ccc2c(CCCC(c3cccnc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:16|
Oc1ccc2c(CCCC(c3ccc(nc3Cl)C(F)(F)F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:21|
CC(C)(C)OC(=O)N1CCOc2ccc(cc12)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:19|
Oc1ccc2c(CCCC(c3ccc(SC(F)F)cc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
Oc1ccc2c(CCCC(c3ccc4CCCNc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:21|
OC(=O)c1ccc2c(CCCC(c3ccc(OC(F)(F)F)cc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:23|
Oc1ccc2c(CCCC(c3ccc(OC(F)(F)F)cc3F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1F |r,c:22|
Oc1ccc2c(CCCC(c3ccc(SC(F)(F)F)cc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1F |r,c:21|
Oc1ccc2c(CCCC(c3cc(F)c(Cl)cc3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:19|
OP(O)(=O)Oc1ccc2c(CCCC(c3ccc(OC(F)(F)F)cc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:25|
Cc1oncc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:7|
Oc1ccc2c(CCCC(c3ccc(OC(F)F)cc3F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1F |r,c:21|
Oc1ccc2c(CCCC(c3ccc(cc3)S(=O)(=O)C(F)(F)F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:23|
Oc1ccc2c(CCCC(c3ccc4OCCNc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:21|
OC(=O)c1ccc2c(CCCC(c3ccc(OC(F)(F)F)cc3F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:24|
Oc1ccc2c(CCCC(c3cnoc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:15|
CCOc1ncc(cc1F)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
Oc1ccc2c(CCCC(c3ccc(O)nc3F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:18|
CC(C)(C)c1cc(cc(F)n1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
C[Si](C)(C)c1ccc(cc1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
CC1(C)Cc2cc(ccc2N1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(cc2CCC1)C(O)=O |r,c:13|
Oc1ccc2c(CCCC(c3ccc4scnc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
Cc1nc2cc(ccc2[nH]1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
OC(=O)c1ccc2c(CCCC(c3ccc(SC(F)(F)F)cc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:23|
Oc1ccc2c(CCCC(c3ccc4ncsc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
Cn1nnc2ccc(cc12)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
Oc1ccc2c(CCCC(c3ccc(OC(F)(F)F)cc3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1F |r,c:22|
Cc1cc(ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1)C(C)(C)C |r,c:8|
CS(=O)(=O)c1ccc(c(F)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
Cc1nocc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:7|
Oc1ccc2c(CCCC(c3ccc(cc3)S(F)(F)(F)(F)F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:22|
Oc1ccc2c(CCCC(c3ccc(cc3)N3CCOCC3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:23|
Oc1ccc2c(CCCC(c3ccc(OCC(F)F)cc3F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:22|
Cn1cnc2cc(ccc12)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
Oc1ccc2c(CCCC(c3ccc4oncc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
Oc1ccc2c(CCCC(c3cc[n+]([O-])cc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:17|
Oc1ccc2c(CCCC(c3ccc(cc3)N3CCCC3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:22|
Cc1nc2cc(ccc2o1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
Cc1nc2ccc(cc2o1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
Oc1ccc2c(CCCC(c3ccc4nonc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
Oc1ccc2c(CCCC(c3ccc4nsnc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
Oc1ccc2c(CCCC(c3ccc(cc3)C3COC3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:21|
Oc1ccc2c(CCCC(c3ccc4OC(F)(F)C(F)(F)Oc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:25|
Oc1ccc2c(CCCC(c3ccc4sncc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
Oc1ccc2c(CCCC(c3ccc(N4CCCCC4)c(F)c3F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:25|
Oc1ccc2c(CCCC(c3ccc4ncoc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
Oc1ccc2c(CCCC(c3ccc4cnoc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
CC(F)(F)c1ccc(cc1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:11|
Oc1ccc2c(CCCC(C3=CCOCC3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:16,t:10|
Oc1ccc2c(CCCC(C3CCOCC3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:16|
Oc1ccc2c(CCCC(C3CCC4(CC3)OCCO4)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:21|
Cn1cnc2ccc(cc12)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,c:12|
Oc1ccc2c(CCCC(c3ccc(cc3)-n3cn[nH]c3=O)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:23|
Oc1ccc2c(CCCC(C3=CCC(F)(F)CC3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:18,t:10|
Oc1ccc2c(CCCC(C3CCC(F)(F)CC3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:18|
OC(=O)c1ccc2c(CCCC(c3ccc(Cl)cc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:19|
OC(=O)c1ccc2c(CCCC(c3ccccc3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:19|
OC(=O)c1ccc2c(CCCC(c3ccc(Cl)cc3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1F |r,c:20|
OC(=O)c1ccc2c(CCCC(c3ccc(Cl)cc3F)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1F |r,c:20|
OC(=O)c1ccc2c(CCCC(c3ccc(F)cc3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1F |r,c:20|
Oc1ccc2c(CCCC(c3ccccc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:16|
Oc1ccc2c(CCCC(c3ccc4[nH]ncc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
OC(=O)c1ccc2c(CCCC(c3cccc(F)c3Cl)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:20|
OC(=O)c1ccc2c(CCCC(c3ccccc3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:18|
OC(=O)c1ccc2c(CCCC(c3ccc4ocnc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1 |r,c:22|
OC(=O)CCc1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(cc2)C(F)(F)F)cc1
CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Cc1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(Cl)cc2)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2cccc(F)c2)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C(F)(F)F)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2Cl)cc1
Cc1cc(ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1)C(F)(F)F
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(cc2C(F)(F)F)C(F)(F)F)cc1
Cc1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Cc1cccc(-c2sc3cc(O)ccc3c2Oc2ccc(\C=C\C(O)=O)cc2)c1C
Cc1ccc(C)c(c1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Cc1noc(C)c1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 |(3.93,-2.28,;3.93,-3.82,;5.18,-4.73,;4.7,-6.19,;3.16,-6.19,;2.39,-7.52,;2.69,-4.73,;1.35,-3.96,;.11,-4.86,;-1.14,-3.96,;-2.64,-4.28,;-3.67,-3.13,;-5.18,-3.45,;-3.2,-1.67,;-1.69,-1.35,;-.66,-2.49,;.88,-2.49,;1.97,-1.4,;1.57,.09,;.08,.48,;-.32,1.97,;.77,3.06,;.37,4.55,;-1.11,4.95,;-1.51,6.43,;-3,6.83,;-.42,7.52,;2.26,2.66,;2.66,1.17,)|
Cc1c(O)cccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(F)cc2C(F)(F)F)cc1
CCc1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
CC(=O)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
CC(C)(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2[N+]([O-])=O)cc1
CC(C)(C)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Cc1cc(C)cc(c1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2[N+]#[C-])cc1
C[C@H](O)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 |r|
COc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(cc2)C(F)F)cc1
C\C(=C/c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1)C(O)=O
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cn1
COc1ccc2c(Oc3ccc(\C=C\C(=O)OC(C)(C)C)cc3)csc2c1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(=O)NCCC(F)(F)F)cc1
COC(=O)\C=C\c1ccc(Oc2c(sc3cc(OC)ccc23)-c2ccccc2C(C)C)cc1
Oc1ccc2c(Oc3ccc(\C=C\C(=O)NCCC(F)(F)F)cc3)c(sc2c1)-c1ccc(F)cc1
CCOC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1C
CCOC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)c(C)c1
COC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(F)cc2)cc1
COC(=O)\C=C\c1ccc(Oc2c(sc3c(F)c(O)c(F)cc23)-c2ccc(O)cc2)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3c(F)c(O)c(F)cc23)-c2ccc(O)cc2)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3c(F)c(O)ccc23)-c2ccc(O)cc2)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)c(F)c2)cc1
COC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)c(C)c2)cc1
CCOC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1OC
COC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2)cc1
COC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C(C)C)cc1
Cc1nnc(\C=C\c2ccc(Oc3c(sc4cc(O)ccc34)-c3ccc(F)cc3C)cc2)o1
CCCc1nnc(\C=C\c2ccc(Oc3c(sc4cc(O)ccc34)-c3ccc(F)cc3C)cc2)o1
Cc1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2n[nH]c(=O)o2)cc1
Cc1nnc(\C=C\c2ccc(Oc3c(sc4cc(O)ccc34)-c3ccc(F)cc3C)cc2)[nH]1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2cc([nH]c(=O)n2)C(F)(F)F)cc1
Cc1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2nnnn2C)cc1
Cn1nnnc1\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(F)cc2)cc1
CCCn1nnnc1\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(F)cc2C)cc1
Cn1nnnc1\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
Cn1nnc(\C=C\c2ccc(Oc3c(sc4cc(O)ccc34)-c3ccc(O)cc3)cc2)n1
Cc1cc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)ccc1\C=C\C(O)=O
Cc1cc(\C=C\C(O)=O)ccc1Oc1c(sc2cc(O)ccc12)-c1ccc(O)cc1
COc1cc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)ccc1\C=C\C(O)=O
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(OC(F)(F)F)cc2)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2)cc1
Cc1cc(ccc1O)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
C\C(=C/C(O)=O)c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
CNC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(cc2)C(F)(F)F)cc1
NC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
OCCNC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
CNC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
CNC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(F)cc2)cc1
CNC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)c(C)c2)cc1
CNC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)c(F)c2)cc1
CNC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cn1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2c[nH]cn2)cc1
Cn1cnc(\C=C\c2ccc(Oc3c(sc4cc(O)ccc34)-c3ccc(O)cc3)cc2)c1
CCCn1cnc(\C=C\c2ccc(Oc3c(sc4cc(O)ccc34)-c3ccc(O)cc3)cc2)c1
CCCn1cncc1\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
Cc1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2nnc(o2)C2CC2)cc1
CN(C)Cc1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(C)=O)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C(F)F)cc1
COCc1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
CC(C)OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C(C)C)cc1
CC(C)c1ccccc1-c1sc2cc(OC(C)=O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
COCCC(=O)Oc1ccc2c(Oc3ccc(\C=C\C(O)=O)cc3)c(sc2c1)-c1ccccc1C(C)C
CC(C)c1ccccc1-c1sc2cc(OCN3C(=O)c4ccccc4S3(=O)=O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
CC(C)[C@H](N)C(=O)Oc1ccc2c(Oc3ccc(\C=C\C(O)=O)cc3)c(sc2c1)-c1ccccc1C(C)C |r|
CCC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C2CCCC2)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(F)cc2CC(F)(F)F)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C2CCC2)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2cccc(F)c2C(F)(F)F)cc1
COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(\C=C\C(O)=O)cc2)c(n1)C(F)(F)F
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2CN2CCCC2)cc1
CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(CCC(O)=O)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2CC#N)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2cc(F)ccc2C(F)(F)F)cc1
Cn1nnc(Cc2ccccc2-c2sc3cc(O)ccc3c2Oc2ccc(\C=C\C(O)=O)cc2)n1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2CN2CCC2)cc1
CC(C)c1cccc(c1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(F)cc2CN2CCCC2=O)cc1
Cc1ncccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
CC(C)c1ccccc1-c1sc2c(F)c(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2nnc(C)o2)cc1
CCCc1nnc(\C=C\c2ccc(Oc3c(sc4cc(O)ccc34)-c3ccccc3C(C)C)cc2)o1
CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2nnc(o2)C2CC2)cc1
CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2nnc(C)[nH]2)cc1
Cc1nnc(\C=C\c2ccc(Oc3c(sc4cc(O)ccc34)-c3ccc(F)cc3C)cc2)n1C
CCCc1nnc(\C=C\c2ccc(Oc3c(sc4cc(O)ccc34)-c3ccccc3C(C)C)cc2)[nH]1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2cc(F)ccc2CC(F)(F)F)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2CC(F)(F)F)cc1
CC(C)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
CC(F)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2OC(F)(F)F)cc1
CC\C(=C/c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C(C)C)cc1)C(O)=O
CC\C(=C/c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1)C(O)=O
CC(C)c1ncoc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
C[C@@H](O)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 |r|
CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)nc1
CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Nc1ccc(\C=C\C(O)=O)cc1
CC(C)c1ccccc1-c1sc2cc(O)ccc2c1N(C)c1ccc(\C=C\C(O)=O)cc1
CC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(F)cc2C(F)(F)F)cc1
CC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(cc2)C(F)(F)F)cc1
CC(F)(F)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C2COC2)cc1
CC(C)c1cccc(C)c1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 |(1.29,-7.98,;1.29,-6.44,;-.04,-5.67,;2.63,-5.67,;3.96,-6.44,;5.3,-5.67,;5.3,-4.13,;3.96,-3.36,;3.96,-1.82,;2.63,-4.13,;1.22,-3.5,;-.03,-4.41,;-1.27,-3.5,;-2.78,-3.82,;-3.81,-2.68,;-5.3,-3.08,;-3.33,-1.21,;-1.83,-.89,;-.8,-2.04,;.74,-2.04,;1.83,-.95,;1.44,.54,;2.52,1.63,;2.13,3.12,;.64,3.51,;.24,5,;-1.25,5.4,;-1.65,6.89,;-3.13,7.29,;-.56,7.98,;-.45,2.43,;-.05,.94,)|
CN(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
CCOc1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C2CC2)cc1
CC(C)Oc1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(\C=C\C(O)=O)cc2)c(C)n1
CCc1cccc(CC)c1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 |(1.29,-7.98,;1.29,-6.44,;2.63,-5.67,;3.96,-6.44,;5.3,-5.67,;5.3,-4.13,;3.96,-3.36,;3.96,-1.82,;5.3,-1.05,;2.63,-4.13,;1.22,-3.5,;-.03,-4.41,;-1.27,-3.5,;-2.78,-3.82,;-3.81,-2.68,;-5.3,-3.08,;-3.33,-1.21,;-1.83,-.89,;-.8,-2.04,;.74,-2.04,;1.83,-.95,;1.44,.54,;2.52,1.63,;2.13,3.12,;.64,3.51,;.24,5,;-1.25,5.4,;-1.65,6.89,;-3.13,7.29,;-.56,7.98,;-.45,2.43,;-.05,.94,)|
Cc1occc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C#C)cc1
Cn1ccc2c(cccc12)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(\C=C\C(O)=O)cc2)c(c1)C(C)C
CC(C)c1ccccc1-c1sc2cc(OC(=O)C(C)(C)C)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
CCC(=O)Oc1ccc2c(Oc3ccc(\C=C\C(O)=O)cc3)c(sc2c1)-c1ccccc1C(C)C
CCOC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C(C)C)cc1
CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(=O)OCCN2CCOCC2)cc1
CC(F)(F)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
CC(C)(F)CN1[C@@H](Cc2c(ccc3[nH]ncc23)[C@H]1c1c(F)cc(OCCN2CC(CF)C2)cc1F)C(F)F |r|
CC(C)(F)CN1[C@@H](Cc2c(ccc3[nH]ncc23)[C@@]1(C)c1c(F)cc(OCCN2CC(CF)C2)cc1F)C(F)F |r|
COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(OCCN2CC(CF)C2)cn1 |r|
COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(C)C)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COCC(F)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OCCN2CC(CF)C2)cn1 |r|
COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COCC(F)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OCCN2CC(CF)C2)cc1OC |r|
COCC(C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OCCN2CC(CF)C2)cc1OC |r|
COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(F)CF)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(C)(F)CF)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COc1cc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC(F)(F)CF)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COc1cc(OCCN2CC(C)C2)ccc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COC1CN(CCOc2ccc([C@H]3N(CC(C)(C)F)[C@H](C)Cc4c3ccc3[nH]ncc43)c(OC)c2)C1 |r|
COc1cc(OCCN2CC(CF)C2)cc(F)c1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COc1cc(OCCN2CC(CF)C2)cc(F)c1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COc1cc(OCCN2CC(CF)C2)cc(F)c1[C@H]1N(CC(F)(F)CF)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OCCN2CC(CF)C2)cc1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC1(F)CC1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)COC1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC1(F)COC1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)CF)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
CC(C)CN1C(c2ccc3[nH]ncc3c2CC1(C)C)c1c(F)cc(OCCN2CC(CF)C2)cc1F
CC(C)(F)CN1C(c2ccc3[nH]ncc3c2CC1(C)C)c1c(F)cc(OCCN2CC(CF)C2)cc1F
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CC(C2)C(F)F)cc1F |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(OCCN2CC(CF)C2)cc1C#N |r|
CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OCCN2CC(CF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(F)F)c1ccc(OCCN2CC(CF)C2)cn1 |r|
COc1cc(OCCN2CC(CF)C2)ncc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC1(F)COC1)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
CC(C)CN1[C@H](C)Cc2c(ccc3[nH]nc(F)c23)[C@H]1c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
CC1(C)Cc2c(ccc3[nH]ncc23)C(N1CC(F)F)c1ccc(OCCN2CC(CF)C2)cn1
COc1nc(OCCN2CC(CF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(NCCN2CC(CF)C2)cc1F |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ncc(OCCN2CC(CF)C2)cc1F |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)C(N1CC(F)(F)F)c1ccc(OCCN2CC(CF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ncc(OCCN2CC(CF)C2)cc1F |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(OCCN2CC(CF)C2)cn1 |r|
C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)/C=C/C(=O)O)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(\C=C\C(O)=O)cc1 |r|
C[C@H](CF)CN3[C@H](C)Cc1c([nH]c2ccccc12)[C@H]3c4c(F)cc(/C=C/C(=O)O)cc4F
C[C@H](CF)CN3[C@H](C)Cc1c([nH]c2ccccc12)[C@H]3c4ccc(/C=C/C(=O)O)cc4
C[C@H](CF)CN4C(c1c(F)cc(/C=C/C(=O)O)cc1F)c3[nH]c2ccccc2c3CC4(C)C
CC(C)(F)CN4C(c1c(F)cc(/C=C/C(=O)O)cc1F)c3[nH]c2ccccc2c3CC4(C)C
C[C@H](CF)CN4C(c1ccc(/C=C/C(=O)O)cc1)c3[nH]c2ccccc2c3CC4(C)C
CC(C)(F)CN4C(c1ccc(/C=C/C(=O)O)cc1)c3[nH]c2ccccc2c3CC4(C)C
C[C@H](CF)CN4C(c1ccc(/C=C/C(=O)O)cc1F)c3[nH]c2ccccc2c3CC4(C)C
COCC(F)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC |r|
COCC(F)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(NC2CN(CCCF)C2)cn1 |r|
COCC(C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r|
COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COc1cc(OC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r|
COc1cc(NC2CN(CCCF)C2)ncc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC2(CF)COC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r|
COC[C@](C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OC2CN(CCCF)C2)cc1OC |r|
COC[C@@](C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(OC2CN(CCCF)C2)cc1OC |r|
COC[C@](C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC |r|
COC[C@@](C)(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cc1OC |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)cn1 |r|
C[C@H](Cc1cccc(N)c1C)NC(=O)C(F)(F)F |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ncc(NC2CN(CCCF)C2)cc1F |r|
COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
CCOc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
COc1cc(OC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1C[C@](C)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1C[C@@](C)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r|
C[C@@H]5Cc1c(ccc2[nH]ncc12)[C@@H](c4ccc(NC3CN(CCCF)C3)cn4)N5CC(F)F
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(OC2CN(CCCF)C2)cn1 |r|
C[C@@H]5Cc1c(ccc2[nH]ncc12)[C@@H](c4ccc(NC3CN(CCCF)C3)cc4)N5CC(F)(F)F
COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1 |r|
C[C@@H]5Cc1c(ccc2[nH]ncc12)[C@@H](c4ncc(NC3CN(CCCF)C3)cc4F)N5CC(F)(F)F
C[C@@H]5Cc1c(ccc2[nH]ncc12)[C@@H](c4ncc(NC3CN(CCCF)C3)cc4F)N5CC(F)(F)CO
C[C@@H]5Cc1c(ccc2[nH]nc(F)c12)[C@@H](c4ccc(NC3CN(CCCF)C3)cn4)N5CC(F)(F)F
C[C@@H]5Cc1c(ccc2[nH]nc(F)c12)[C@@H](c4ncc(NC3CN(CCCF)C3)cc4F)N5CC(F)(F)F
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(cn1)N(C)C1CN(CCCF)C1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
COc1cc(NC2CN(CCCF)C2)cnc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1cnc(NC2CN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)nc1F |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)c1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1cnc(NC2CN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(cn1)N(C)C1CN(CCCF)C1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
COc1cc(NC2CN(CCCF)C2)ccc1[C@@]1(C)N(CC(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ncc(NC2CN(CCCF)C2)cc1F |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cc1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1cnc(NC2CN(CCCF)C2)cn1 |r|
FCCCN1CC(C1)Nc1ccc(nc1)[C@H]1N(CC(F)F)[C@@H](Cc2c1ccc1[nH]ncc21)C(F)F |r|
COc1cc(ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21)N(C)C1CN(CCCF)C1 |r|
COc1cc(NC2CN(CCCF)C2)c(F)cc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(NC2CN(CCCF)C2)nc1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1cnc(NC2CN(CCCF)C2)cn1 |r|
COc1cc(NC2CN(CCC(F)(F)F)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(cn1)N(C)C1CN(CCCF)C1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ccc(OC2CN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CO)c1ncc(OC2CN(CCCF)C2)cc1F |r|
COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)c(F)n1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
CC(F)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1 |r|
COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(NC2CN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)CF)c1ncc(NC2CN(CCCF)C2)cc1F |r|
CC1(C)Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
CC1(C)Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(OCCNCCC(F)F)cc1 |r|
CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(OCCNCCCF)cc1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCNCCC(F)F)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCNCCCF)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1c(F)cc(OCCNCCCF)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1c(F)cc(OCCNCCCF)cc1F |r|
COc1cc(OCCNCCCF)ncc1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cc(OCCNCCCF)ccc1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1c(F)cc(NCCNCCCF)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(OCCNCCCF)cc1F |r|
COc1cc(OCCNCCCF)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1c(F)cc(OCCNCCCF)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1c(F)cc(OCCNCCCF)cc1F |r|
COCC(F)(F)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(OCCNCCCF)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1C[C@H](F)CF)c1c(F)cc(OCCNCCCF)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)CO)c1c(F)cc(OCCNCCCF)cc1F |r|
CC(CNCCCF)Oc1cc(F)c([C@H]2N(CC(C)(C)F)[C@H](C)Cc3c2[nH]c2ccccc32)c(F)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCC(CO)NCCCF)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1ccc(OCCNCCCF)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1ccc(OCCNCCCF)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1ccc(OCCNCCCF)cc1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1ccc(OCCNCCCF)cc1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1C[C@H](F)CF)c1ccc(OCCNCCCF)cc1 |r|
C[C@@H](COc1ccc(cc1)[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21)NCCCF |r|
C[C@H](COc1ccc(cc1)[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21)NCCCF |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1ccc(OCCNCCCF)cc1C#N |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(OCCNCCCF)cn1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1ccc(OCCNCCCF)cn1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1ccc(OCCNCCCF)cn1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1ccc(OCCNCCCF)nc1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1ccc(OCCNCCCF)nc1 |r|
COc1cc(OCCNCCCF)cnc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cc(OCCNCCCF)ncc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1cnc(OCCNCCCF)cn1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ncc(OCCNCCCF)cn1 |r|
COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cc(OCCNCCCF)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1c(F)cc(NCCNCCCF)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1c(F)cc(cc1F)N(C)CCNCCCF |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NCCNCCCF)cc1F |r|
COc1cc(NCCNCCCF)ccc1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1ccc(OCCNCCCF)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1c(F)cc(cc1F)N(C)CCNCCCF |r|
COCC(C)(F)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(OCCNCCCF)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1c(F)cc(NCCNCCCF)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1ccc(OCCNCCCF)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1ccc(OCCNCCCF)cc1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1ccc(OCCNCCCF)cc1 |r|
COc1cc(OCCNCCCF)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cc(NCCNCCCF)ccc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cc(NCCNCCCF)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cc(NCCNCCCF)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1cnc(NCCNCCCF)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1cnc(OCCNCCCF)cc1C |r|
COc1cc(OCCNCCCF)ncc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cc(NCCNCCCF)ncc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cc(NCCNCCCF)ncc1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cc(NCCNCCCF)ncc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cc(NCCNCCCF)ncc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1cnc(OCCNCCCF)cn1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1cnc(OCCNCCCF)cn1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1cnc(NCCNCCCF)cn1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(CF)COC1)c1c(F)cc(OCCNCCCF)cc1F |r|
COc1cc(OCCNCCCF)ccc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cc(OCCNCCCF)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1nc(OCCNCCCF)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1nc(NCCNCCCF)ccc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1nc(OCCNCCCF)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1nc(NCCNCCCF)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
Oc1ccc(cc1)-n1cc(Br)c2cc(O)ccc2c1=O
Oc1ccc(cc1)-n1cc(Br)c2cc(O)cc(O)c2c1=O
Oc1ccc(cc1)-n1cc(Cl)c2cc(O)cc(O)c2c1=O
Oc1ccc(cc1)-n1cc(Br)c2cc(O)cc(C#N)c2c1=O
Oc1ccc(cc1)-n1cc(C=C)c2cc(O)cc(O)c2c1=O
COc1ccc(cc1)-n1cc(Br)c2cc(OC)cc(C#N)c2c1=O
OC(=O)c1cc(O)cc2c(Br)cn(-c3ccc(O)cc3)c(=O)c12
Oc1ccc(cc1)-n1cc(-c2ccccc2)c2cc(O)ccc2c1=O
Oc1cc(O)c2c(c1)c(C=C)cn(-c1ccc(O)c(F)c1)c2=O
COc1ccc(cc1)-c1cn(-c2ccc(O)cc2)c(=O)c2c(O)cc(O)cc12
Oc1ccc(cc1)-n1cc(-c2ccccc2)c2cc(O)cc(O)c2c1=O
C\C=C\c1cn(-c2ccc(O)cc2)c(=O)c2c(O)cc(O)cc12
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1cccc(OCCNCCCF)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1cccc(NCCNCCCF)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1cccc(c1)N(C)CCNCCCF |r|
COc1ccc(OCCNCCCF)cc1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1c(OCCNCCCF)cccc1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(OCCNCCCF)cc1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)ccc1F |r|
COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cnc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cccc(OCCNCCCF)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)ccc1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(C)cc(OCCNCCCF)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1ccc(C)c(OCCNCCCF)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cccc(OCCNCCCF)c1C |r|
CCc1ccc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)ccc1Cl |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)ccc1C#N |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cccc(OCCNCCCF)c1Cl |r|
COc1ccc(OCCNCCCF)c(C)c1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1c(F)cc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cc(F)c(OCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1c(F)cc(OCCNCCCF)c(F)c1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)cc(F)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(F)cc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(F)c(F)cc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(F)ccc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cccc(OCCNCCCF)n1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)ccn1 |r|
COc1ncc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)cnc1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cncc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)ncc1F |r|
COc1ccc(NCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ncc(NCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cnc(NCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(NCCNCCCF)nc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1cc(OCCNCCCF)ccc1Cl |r|
Cc1c(ccc(c1[C@@H]2c3c(c4ccccc4[nH]3)C[C@H](N2CC(CO)(F)F)C)F)OCCNCCCF
COc1ccc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccc(F)cc21 |r|
COc1ccc(O[C@H](C)CNCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(O[C@@H](C)CNCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(OC[C@H](C)NCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(OC[C@@H](C)NCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1c(F)ccc(OCCNCCCF)c1F |r|
COc1ccc(OCCNCCCF)cc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(OCCNCCCF)cc1[C@H]1N(C[C@H](C)C(O)=O)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(Cl)ccc(OCCNCCCF)c1F)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1C)C(O)=O |r|
COc1ccc(OCCNCCCF)nc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccc(F)cc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1C)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1F)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccc(F)cc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1F)C(O)=O |r|
C[C@@H]1Cc2c([nH]c3c(F)cccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3cc(F)ccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3cccc(F)c23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccc(C)cc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccc(C)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCN(C)CCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1cccc(OCCNCCCF)c1C(F)F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cccc(OCCNCCCF)c1C#N |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)ccc1CO |r|
COCc1ccc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(OCCNCCC(F)(F)F)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(F)cc(OCCNCCCF)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1ccc(F)c(OCCNCCCF)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(N1CC(F)(F)F)c1cccc(OCCNCCCF)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(CC1)S(C)(=O)=O)c1c(F)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(Cl)ccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(C)ccc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(C)ccc(OCCNCCCF)c1F |r|
COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1Cl |r|
COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccc(F)cc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCC#N)c1c(F)ccc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(F)ccc(NCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(NCCNCCCF)c1F |r|
COc1ccc(NCCNCCCF)c(F)c1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cc(F)c(NCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1nccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1nccc(OCCNCCCF)c1Cl |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1nccc(NCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1nccc(NCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1nccc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1nccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1nccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1nccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1nccc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cncc(OCCNCCCF)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1ccnc(OCCNCCCF)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1ccnc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1ccnc(OCCNCCCF)c1Cl |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1nc(OCCNCCCF)ccc1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1ccnc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(F)cnc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1c(F)cnc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC1(F)CC1)c1c(F)cnc(OCCNCCCF)c1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1Cl |r|
COc1nnc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cc(OCCNCCCF)ncn1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1ncnc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1ncnc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCC(O)=O)c1c(F)ccc(OCCNCCCF)c1C |r|
C[C@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1C)C(O)=O |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)C(O)=O)c1c(F)ccc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)C(O)=O)c1c(F)ccc(OCCNCCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(CCC1)C(O)=O)c1c(F)ccc(OCCNCCCF)c1C |r|
C[C@H](CN1[C@H](C)Cc2c([nH]c3ccc(F)cc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1C)C(O)=O |r|
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1C[C@H](C)C(O)=O)c1c(F)ccc(OCCNCCCF)c1C |r|
C[C@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCNCCC(F)F)c1C)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCNCCC(F)F)c1C)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1C(F)F)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cnc(OCCNCCCF)c1C)C(O)=O |r|
Cc1c(c(cnc1OCCNCCCF)F)[C@@H]2c3c(c4ccccc4[nH]3)C[C@H](N2C[C@@H](C)C(=O)O)C
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(Cl)ccc(OCCNCCCF)c1Cl)C(O)=O |r|
CC(CN1[C@H](C)Cc2c([nH]c3ccc(F)cc23)[C@H]1c1c(Cl)ccc(OCCNCCCF)c1Cl)C(O)=O |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)C(O)=O)c1c(F)ccc(OCCNCCCF)c1Cl |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccnc(OCCNCCCF)c1C)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cnc(OCCNCCCF)c1Cl)C(O)=O |r|
C[C@@H](CN1[C@@H](c2[nH]c3ccccc3c2CC1(C)C)c1c(F)ccc(OCCNCCCF)c1C)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(NCCNCCCF)c1C)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(N(C)CCNCCCF)c1C)C(O)=O |r|
C[C@@H](CN1[C@@H](Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1C)C(F)F)C(O)=O |r|
C[C@@H](CN1[C@@H](Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1Cl)C(F)F)C(O)=O |r|
C[C@@H](CN1[C@@H](Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cnc(OCCNCCCF)c1Cl)C(F)F)C(O)=O |r|
C[C@@H](CN1[C@@H](Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1C)C(F)(F)F)C(O)=O |r|
C[C@@H](CN1[C@@H](Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCNCCCF)c1Cl)C(F)(F)F)C(O)=O |r|
C[C@@H](CN1[C@@H](Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cnc(OCCNCCCF)c1Cl)C(F)(F)F)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCN(C)CCCF)c1C)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCN(C)CCCF)c1F)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cnc(OCCN(C)CCCF)c1C)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccc(F)cc23)[C@H]1c1c(F)ccc(OCCN(C)CCCF)c1C)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(N(C)CCN(C)CCCF)c1C)C(O)=O |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCN(C)CCCF)c1C(F)F)C(O)=O |r|
C[C@@H](CN1[C@@H](Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCN(C)CCCF)c1C)C(F)(F)F)C(O)=O |r|
C[C@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCN(C)CCCF)c1C)C(O)=O |r|
C[C@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cnc(OCCN(C)CCCF)c1C)C(O)=O |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1c(F)ccc(OCCN(C)CCCF)c1F |r|
C[C@H](CN1[C@H](C)Cc2c([nH]c3ccc(F)cc23)[C@H]1c1c(F)cnc(OCCN(C)CCCF)c1C)C(O)=O |r|
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CCC(O)=O)c1c(F)cnc(OCCN(C)CCCF)c1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCC(O)=O)c1c(F)cnc(OCCN(C)CCCF)c1C |r|
CC(CC(O)=O)N1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cnc(OCCN(C)CCCF)c1C |r|
C[C@H](CN1[C@H](C)Cc2c([nH]c3ccc(F)cc23)[C@H]1c1c(F)ccc(OCCN(C)CCCF)c1C)C(O)=O |r|
C[C@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccnc(OCCN(C)CCCF)c1C)C(O)=O |r|
C[C@H](CN1[C@H](C)Cc2c([nH]c3ccc(F)cc23)[C@H]1c1c(F)ccc(OCCNCCC(F)F)c1C)C(O)=O |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCC(O)=O)c1c(F)ccc(OCCN(C)CCCF)c1C |r|
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
COc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(F)cc1
Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(Br)cc1
Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccccc1
CS(=O)(=O)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Nc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(NC(=O)CCl)cc1
Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(NCCCl)cc1
Oc1ccc(cc1)-c1nn2cc(O)cnc2c1-c1ccc(O)cc1
Oc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccccc1
Oc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccccc1)C(F)(F)F)C(F)(F)F
Oc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(O)cc1)C(F)(F)F)C(F)(F)F
Oc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(OCCN2CCCCC2)cc1)C(F)(F)F)C(F)(F)F
CN(C)CCOc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccc(O)cc1
Oc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccc(OCCN2CCCCC2)cc1
CN(C)CCOc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(O)cc1)C(F)(F)F)C(F)(F)F
c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1 |r|
c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O
Cc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
CCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
CCCCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
CCCCCCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
CCCCCCCCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
CCCCCCCCCCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
CC(C)CCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
CC(C)Cc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
CC(C)(C)Cc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)c(Cc3ccccc3)c2O1
Oc1ccc(cc1)-n1cnc2cc(O)cc(O)c2c1=O
COc1cc(O)c2c(c1)ncn(-c1ccc(O)cc1)c2=O
Cc1cc(O)ccc1-n1cnc2cc(O)cc(O)c2c1=O
Oc1cc(O)c2c(c1)ncn(-c1ccc(O)c(Cl)c1)c2=O
Oc1cc(O)c2c(c1)ncn(-c1ccc(O)c(F)c1)c2=O
Oc1ccc(c(F)c1)-n1cnc2cc(O)cc(O)c2c1=O
Oc1ccc(c(Cl)c1)-n1cnc2cc(O)cc(O)c2c1=O
Cc1cc(ccc1O)-n1cnc2cc(O)cc(O)c2c1=O
COc1ccc(cc1)-n1cnc2cc(OC)cc(O)c2c1=O
COc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
Oc1ccc(nc1)-n1cnc2cc(O)cc(O)c2c1=O
Oc1cc(O)c2c(c1)ncn(-c1ccc(=O)[nH]c1)c2=O
Oc1ccc(cc1)-n1cnc2c(I)c(O)cc(O)c2c1=O
Oc1ccc(cc1)-n1cnc2c(I)c(O)c(I)c(O)c2c1=O
Cc1c(O)cc(O)c2c1ncn(-c1ccc(O)cc1)c2=O
Oc1ccc(cc1)-n1cnc2cc(O)c(I)c(O)c2c1=O
CCCc1c(O)cc2ncn(-c3ccc(O)cc3)c(=O)c2c1O
Oc1ccc(cc1)-n1cnc2cc(O)ccc2c1=O
Oc1cccc(c1)-n1cnc2cc(O)cc(O)c2c1=O
Oc1cc(O)c2c(c1)ncn(-c1ccccc1)c2=O
Cc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
CCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
CCCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
CCCCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
CC(C)c1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
COc1cc(O)c2c(c1)[nH]c(=S)n(-c1ccc(O)cc1)c2=O
Oc1ccc(cc1)-n1c(=S)[nH]c2cc(O)cc(O)c2c1=O
Oc1ccc(cc1)-n1c(Cl)nc2cc(O)cc(O)c2c1=O
Oc1ccc(cc1)-n1c(=O)[nH]c2cc(O)cc(O)c2c1=O
Cc1nc2cc(O)ccc2c(=O)n1-c1ccc(O)cc1
Oc1ccc(cc1)-c1nc2cc(O)ccc2c(=O)n1-c1ccc(O)cc1
CCOc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
Nc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
Cc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
Oc1ccc(cc1)-n1cnc2cc(O)cc(C#N)c2c1=O
Oc1ccc(cc1)-n1cnc2cc(O)cc(OS(=O)(=O)C(F)(F)F)c2c1=O
CCc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
Oc1ccc(cc1)-n1cnc2cc(O)cc(C=C)c2c1=O
COC(=O)c1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
Oc1ccc(cc1)-n1cnc2cc(O)cc(-c3ccccc3)c2c1=O
OCc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
CC(=C)c1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
Oc1ccc(cc1)-n1cnc2cc(O)cc(O)c2c1=S
Oc1cc(O)c2c(c1)ncn(-c1ccc(O)c(F)c1)c2=S
Cc1cc(ccc1O)-n1cnc2cc(O)cc(O)c2c1=S
Cc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=S)c12
CCc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=S)c12
Oc1ccc(nc1)-n1cnc2cc(O)cc(O)c2c1=S
CC(=O)Oc1ccc(cc1)-n1cnc2cc(OC(C)=O)cc(OC(C)=O)c2c1=S
COc1ccc(cc1)-n1cnc2cc(OC)cc(OS(=O)(=O)C(F)(F)F)c2c1=S
COc1ccc(cc1)-n1cnc2cc(OC)cc(O)c2c1=S
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O
Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=S
Oc1ccc(cc1)-c1ccc2cc(O)ccc2c1Cc1ccc(OCCN2CCCCC2)cc1
CS(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Cc1ccc(OCCN2CCCCC2)cc1
CS(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)cc1
Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r|
Oc1ccc(cc1)[C@H]1Oc2ccc(O)cc2[C@H]2CCC[C@@H]12 |r|
Oc1ccc(cc1)[C@@H]1CCc2cc(O)ccc2O1 |r|
Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCCC[C@H]12 |r|
Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCCCC[C@H]12 |r|
Oc1ccc2O[C@H]([C@H]3CCC[C@H]3c2c1)c1ccccc1 |r|
Oc1cccc(c1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r|
Oc1ccc(cc1)[C@@H]1Oc2ccccc2[C@@H]2CCC[C@H]12 |r|
Oc1ccc(cc1)[C@@H]1Oc2cccc(O)c2[C@@H]2CCC[C@H]12 |r|
Oc1ccc(cc1)[C@@H]1Oc2cc(O)ccc2[C@@H]2CCC[C@H]12 |r|
Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CC(=O)C[C@H]12 |r|
Oc1ccc(cc1)[C@H]1Oc2ccc(O)cc2[C@H]2CC(=O)CC[C@@H]12 |r|
Oc1ccc(cc1)[C@H]1Oc2ccc(O)cc2[C@H]2CCC(=O)C[C@@H]12 |r|
Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CC(F)(F)C[C@H]12 |r|
[H][C@@]1(C[C@H]2[C@@H](C1)c1cc(O)ccc1O[C@H]2c1ccc(O)cc1)C(F)(F)F |r|
[H][C@]1(C[C@H]2[C@@H](C1)c1cc(O)ccc1O[C@H]2c1ccc(O)cc1)C(F)(F)F |r|
[H][C@@]1(C)C[C@H]2[C@@H](C1)c1cc(O)ccc1O[C@H]2c1ccc(O)cc1 |r|
Cc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r|
COCc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r|
CCOCc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r|
OCc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r|
COCc1cc(O)cc2[C@@H]3CC(F)(F)C[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r|
COCc1cc(O)cc2[C@H]3CC(F)(F)C[C@H]3[C@H](Oc12)c1ccc(O)cc1 |r|
Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(F)cc1
Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
c1ccc(cc1)N2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCCC5)O
CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1
CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCCC2)cc1
Cc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCC2)cc1
Cc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCCC2)cc1
CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(OCCN2CCCC2)cc1
CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(OCCN2CCCCC2)cc1
CC1(N(CCc2cc(O)ccc12)c1ccc(Cl)cc1)c1ccc(OCCN2CCCC2)cc1
CC1(N(CCc2cc(O)ccc12)c1ccc(Cl)cc1)c1ccc(OCCN2CCCCC2)cc1
CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCC2)cc1
CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCCC2)cc1
CC1(N(CCc2cc(O)ccc12)c1cccc(O)c1)c1ccc(OCCN2CCCC2)cc1
CC1(N(CCc2cc(O)ccc12)c1cccc(O)c1)c1ccc(OCCN2CCCCC2)cc1
CC1(N(CCc2cc(O)ccc12)c1cccc(F)c1)c1ccc(OCCN2CCCC2)cc1
CC1(N(CCc2cc(O)ccc12)c1cccc(Cl)c1)c1ccc(OCCN2CCCC2)cc1
CC1(N(CCc2cc(O)ccc12)c1cccc(Cl)c1)c1ccc(OCCN2CCCCC2)cc1
CC(C)c1cccc(c1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCCC2)cc1
CN(C)c1cccc(c1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCC2)cc1
CN(C)c1cccc(c1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |r|
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3
CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3
c1ccc(cc1)[N@@]2CCc3cc(ccc3[C@H]2c4ccc(cc4)[N@]5CC[N@@]6CCCC[C@H]6C5)O
CC1CN(CCN1C)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
CCN1CCN(CC1C)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
CCC1CN(CCN1C)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
CN1CCN(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
CN1CCC(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
CN1CCC(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccc(F)cc1
CN1CCC(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1cccc(F)c1
CN1CCC(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1cccc(O)c1
CN1CCN(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1cccc(O)c1
CC(C)N1CCN(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1cccc(O)c1
CC(C)CN1CCN(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1cccc(O)c1
Oc1cccc(c1)N1CCc2cc(O)ccc2C1c1ccc(cc1)N1CCN(CC2CC2)CC1
Oc1ccc2C(N(CCc2c1)c1cccc(O)c1)c1ccc(cc1)N1CCN(CC1)C1CCCC1
Oc1cccc(c1)N1CCc2cc(O)ccc2C1c1ccc(cc1)N1CCN(CC1)C1CCCCC1
[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
CC/C(=C(/CC)\c1ccc(cc1)O)/c2ccc(cc2)O
Oc1ccc2cc(sc2c1)-c1ccccc1
Cc1ccc(cc1)-c1cc2ccc(O)cc2s1
Oc1ccc(cc1)-c1cc2ccc(O)cc2s1
Oc1ccc2cc(sc2c1)-c1ccc(O)c(F)c1
Cc1cc(ccc1O)-c1cc2ccc(O)cc2s1
CCc1cc(ccc1O)-c1cc2ccc(O)cc2s1
CCCc1cc(ccc1O)-c1cc2ccc(O)cc2s1
Oc1ccc2cc(sc2c1)-c1ccc(O)c(O)c1
Oc1cccc(c1)-c1cc2ccc(O)cc2s1
CC(=O)c1cc(ccc1O)-c1cc2ccc(O)cc2s1
Cc1cc(O)ccc1-c1cc2ccc(O)cc2s1
Oc1cc(O)c2cc(sc2c1)-c1ccc(O)c(F)c1
Cc1cc(ccc1O)-c1cc2c(O)cc(O)cc2s1
CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1 |t:1|
CC1=C([C@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1 |r,t:1|
CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O
CC1CN(CCOc2ccc(cc2)C2Oc3ccc(O)cc3C(C)=C2c2cccc(O)c2)C1 |c:25|
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](F)C1 |c:22|
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CCC1 |c:22|
C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](C)C1 |c:22|
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r|
CN(C)CCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccc(O)cc1
CN(C)CCOc1ccc(cc1)C(=C(\CCCCl)c1ccccc1)\c1ccc(O)cc1
CN(C)CCOc1ccc(cc1)C(=C(\CCC#N)c1ccccc1)\c1ccc(O)cc1
CN(C)CCOc1ccc(cc1)C(=C(\CCCC#N)c1ccccc1)\c1ccc(O)cc1
CN(C)CCOc1ccc(cc1)C(=C(\CCN=[N+]=[N-])c1ccccc1)\c1ccc(O)cc1
CN(C)CCOc1ccc(cc1)C(=C(\CCCN=[N+]=[N-])c1ccccc1)\c1ccc(O)cc1
CSCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
CN(C)CCOc1ccc(cc1)C(=C(\CCCC(O)=O)c1ccccc1)\c1ccc(O)cc1
CNCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
CN(C)CCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
CN(C)CCOc1ccc(cc1)C(=C(\CCCNC(C)=O)c1ccccc1)\c1ccc(O)cc1
CN(C)CCOc1ccc(cc1)C(=C(\CCO)c1ccccc1)\c1ccc(O)cc1
CN(C)CCOc1ccc(cc1)/C(=C(/CCCO)\c2ccccc2)/c3ccc(cc3)O
CN(C)CCOc1ccc(cc1)C(=C(\CCCCO)c1ccccc1)\c1ccc(O)cc1
c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Clc1ccc(\C=C\c2cc(Cl)cc(Cl)c2)cc1
COc1ccc(\C=C\c2cc(F)cc(F)c2)cc1
Fc1ccc(\C=C\c2cc(F)cc(F)c2)cc1
FC(F)(F)c1ccc(\C=C\c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
COc1cc(OC)cc(\C=C\c2ccc(F)cc2)c1
CCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
CCCCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
FC(F)(F)c1ccc(\C=C\c2cc(Cl)cc(Cl)c2)cc1
COc1ccc(\C=C\c2cc(Cl)cc(Cl)c2)cc1
FC(F)(F)c1cccc(\C=C\c2cc(Cl)cc(Cl)c2)c1
COc1cccc(\C=C\c2cc(Cl)cc(Cl)c2)c1
COc1ccc(\C=C/c2cc(OC)cc(OC)c2)cc1
Clc1ccc(\C=C/c2cc(Cl)cc(Cl)c2)cc1
COc1ccc(\C=C/c2cc(F)cc(F)c2)cc1
Fc1ccc(\C=C/c2cc(F)cc(F)c2)cc1
FC(F)(F)c1ccc(\C=C/c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
COc1cc(OC)cc(\C=C/c2ccc(F)cc2)c1
CCOc1ccc(\C=C/c2cc(OC)cc(OC)c2)cc1
CCCCOc1ccc(\C=C/c2cc(OC)cc(OC)c2)cc1
FC(F)(F)c1ccc(\C=C/c2cc(Cl)cc(Cl)c2)cc1
COc1ccc(\C=C/c2cc(Cl)cc(Cl)c2)cc1
FC(F)(F)c1cccc(\C=C/c2cc(Cl)cc(Cl)c2)c1
COc1cccc(\C=C/c2cc(Cl)cc(Cl)c2)c1
C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1ccc(C[NH3+])cc1 |r|
C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1cccc(c1)C([O-])=O |r|
C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1ccc(cc1)[N+](C)(C)C |r|
CC(C)(C)OC(=O)NCc1ccc(cc1)C#C[C@]1(O)CCC2C3CCc4cc(O)ccc4C3CC[C@]12C |r|
COc1ccc2[nH]c3nc(SCc4nnc(o4)-c4ccc(C)cc4)nnc3c2c1
O=C(CSc1nnc([nH]1)-c1ccc(cc1)S(=O)(=O)N1CCCCC1)Nc1nccs1
O=C(Nc1cnc2ccccc2c1)c1ccco1
COc1ccc(cc1)-c1cc(-c2cccs2)c(C#N)c(SCC(=O)NCc2ccco2)n1
COc1cc(cc2OCOc12)C1C(C#N)C(=N)Oc2cc(C)oc(=O)c12
COc1cccc(OCc2nnc(SCC(=O)NCc3ccco3)n2CCc2ccccc2)c1
CCC(C)n1[nH]c(=O)cc1N
Nc1oc(c(c1C#N)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
CCc1ccc2[nH]c(=O)c(CN(Cc3ccc4OCOc4c3)C(=O)c3ccco3)cc2c1
COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1
O=c1[nH]c2cc3OCCOc3cc2cc1CN(Cc1cccs1)Cc1nnnn1Cc1ccco1
COc1cc(cc(OC)c1OC)-c1nnc(o1)-c1ccc(cc1)S(=O)(=O)c1ccccc1
CCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)nc2ccccc2c1=O
Cc1nnc(NC(=O)Cc2cccs2)s1
CC1=C(SCCC#N)S\C(S1)=C1/SC(C)=C(SCCC#N)S1 |c:1,t:15|
CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(OC)cc3)n2C)cc1
COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2C)ccc1NC(=O)c1ccco1
COc1ccc(NC(=O)c2ccco2)cc1N
Cc1[nH]c2ccc(cc2c1C)-c1nnc(SCC(=O)c2ccccc2F)o1
CC1Cc2ccccc2N1C(=O)CSc1nnc(NC(=O)Cc2cccs2)s1
Cc1ccc(o1)-c1nnn(CC(=O)Nc2ccc3nn(nc3c2)-c2ccccc2)n1
CCN1C(=O)\C(S\C1=N/c1cccc(O)c1)=C1\Sc2ccc(OC)cc2N1C
COc1cc2cc(C(N3CCc4ccccc34)c3nnnn3C3CCCC3)c(=O)[nH]c2cc1OC
Cc1sc(NC(=O)CSc2nnc(o2)-c2ccc(F)cc2)c(C#N)c1C
Cc1ccc(cc1C)-n1nnnc1SCC(=O)Nc1cccc(NC(=O)c2ccco2)c1
CN1CCc2nc(SCC(=O)Nc3ccc(F)cc3)c(cc2C1)C#N
c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl
c1ccc(cc1)/C=C/CN2CCN(CC2)C(c3ccccc3)c4ccccc4
CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O
CCOC(=O)[N-]c1cn(n[o+]1)N1CCOCC1
NCCNc1nc(NCc2ccccc2)c2CN(Cc3ccccc3)CCc2c1C#N
CC(=O)N(C(C)=O)c1c(C#N)c(C)n(c1C(=O)c1ccccc1)-c1ccccc1
CC(OC(=O)COc1ccc(Cl)cc1C)C(=O)N(C)C
OC(C(O)=O)c1ccco1
CCCCn1c(NC(=O)CC)c(C#N)c2nc3ccccc3nc12
Oc1ccc(Cl)cc1NC=C1C(=O)CC(CC1=O)c1ccco1 |(3.91,-3.81,;5.24,-4.58,;5.24,-6.12,;6.57,-6.89,;7.91,-6.12,;9.24,-6.89,;7.91,-4.58,;6.57,-3.81,;6.57,-2.27,;7.91,-1.5,;7.91,.04,;6.57,.81,;5.24,.04,;6.57,2.35,;7.91,3.12,;9.24,2.35,;9.24,.81,;10.58,.04,;8.68,4.45,;8.05,5.86,;9.2,6.89,;10.53,6.12,;10.21,4.61,)|
COc1ccc(OC)c(C=Nc2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1 |w:10.10|
CC1(C)Cc2c(CO1)sc1c3nnnn3c3nnnn3c21
O=C(CSc1nc2CCCCc2c(-c2ccco2)c1C#N)Nc1nccs1
CC1CCN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC1
CN(C)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)c3ccc(N)cc3)cc12
Cc1nc2ccccc2c(=O)n1N=Cc1c(O)ccc2oc3CCCCc3c12 |w:12.13|
O=C(CSc1nc(ccc1C#N)-c1cccnc1)Nc1sc2CCCc2c1C#N
Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1nccs1
O=C(Nc1sc2CCCCc2c1C(=O)NC1CCS(=O)(=O)C1)C1COc2ccccc2O1
Cc1c(Br)cc(C(=O)NCc2ccco2)c(C)c1C
[H]C12CC([H])(C=C1)C1C2C(=O)N(CN(C(=O)c2ccco2)c2ccc(OC)cc2)C1=O |c:5,TLB:29:7:2:5.6,THB:9:8:2:5.6|
CC(C)CNC(=O)c1c(N)n(N=Cc2ccccn2)c2nc3ccccc3nc12 |w:11.10|
COc1ccc(cc1)C1CC(=Nc2nc(NC(C)=O)nn12)c1ccc(Cl)cc1 |c:11|
COCCNC(=O)c1c(N)n(N=Cc2cccs2)c2nc3ccccc3nc12 |w:11.10|
COc1cccc(c1O)-c1nc(NCC=C)c2ccccc2n1
Nc1ccccc1NC=C1C(=O)NC(=O)N(CCC2=CCCCC2)C1=O |w:8.8,t:19|
Cc1cc(C)nc(NC(=O)CSc2nn(C)c(=S)s2)n1
Clc1ccc(NC(=O)C(C#N)c2nc3ccccc3[nH]2)cc1
CCOc1cccc(c1)-c1nnc2sc(nn12)-c1cc(OC)c(OC)c(OC)c1
NC(=O)COc1ccc(cc1)C1N(CC2CCCO2)C(=O)c2oc3ccccc3c(=O)c12
Nc1nc(nn1-c1ccccc1)-n1c(O)c2CC=CCc2c1O |c:19|
Clc1ccc(COc2ccc(cc2)-c2nc(C#N)c(NCc3cccnc3)o2)cc1
COc1ccc(cc1)-n1c(SCC(=O)Nc2nccs2)nc2sc3CN(C)CCc3c2c1=O
O=S(=O)(N1CCCCCC1)c1cccc(c1)-c1cn2cccnc2n1
Cn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)[nH]c1=O
CSc1nc(NCCOCCO)c2sc3nc(c4CCCc4c3c2n1)-c1ccco1
CC1(C)CC(=O)c2cnc(NCC3CCCO3)nc2C1
CC(=O)c1c(COC(=O)c2ccco2)nc2ccccc2[n+]1[O-]
CCCc1cc(-n2ccnc2)n2c(nc3ccccc23)c1C#N
COc1ccc(OC)c(c1)-n1c(O)c2o[nH]c(-c3ccccc3Cl)c2c1=O |(3.08,-4.13,;4.62,-4.13,;5.39,-2.79,;4.62,-1.46,;5.39,-.13,;6.93,-.13,;7.7,1.21,;6.93,2.54,;7.7,-1.46,;6.93,-2.79,;9.24,-1.46,;10.15,-2.71,;9.67,-4.17,;11.61,-2.23,;13.07,-2.7,;13.97,-1.46,;13.07,-.22,;13.55,1.24,;12.52,2.39,;13,3.85,;14.5,4.17,;15.53,3.02,;15.05,1.56,;16.08,.41,;11.61,-.69,;10.15,-.21,;9.67,1.25,)|
Brc1ccc(o1)-c1nc2ccc(cc2[nH]1)N1C(=O)c2ccccc2C1=O
C1Cc2[nH]nc(c2C1)-c1nnc2sc(nn12)C1CCCCC1
O=C(Nc1ccc2n3CCSCc3nc2c1)c1ccco1
Cc1ccc(o1)C1CC(=O)N2CN(CSC2=C1C#N)c1cccc(C)c1 |c:17|
Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)c2ccc(o2)-c2cccc(Cl)c2)c1
COc1ccc(OC)c(NC(=O)c2cc(n[nH]2)-c2ccc(C)cc2O)c1
NC(=O)c1ccccc1OCC1CC(=NO1)c1ccccc1 |c:14|
COC(=O)c1sc2nc(ccc2c1N)-c1ccco1
CC(=N)C(C#N)C(=O)CSc1nnc(COc2ccccc2Cl)o1
Cc1ccccc1CSCC(=O)NC(=O)NCc1ccco1
Cc1ccc(Nc2nnc(SCC(=O)NCc3ccco3)s2)cc1
Cc1occc1-c1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)n1C
CCn1c(SCC(=O)c2ccc(CNC(C)=O)o2)nnc1-c1cccs1
CCN1CCc2nc(NC(=O)Cc3ccc4OCCOc4c3)sc2C1
CCc1ccc2nc(NC(=O)c3ccc4c(c3)nc(CN3CCOCC3)[nH]c4=O)sc2c1
CC(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c1
CCCc1nnc2SCC(=Nn12)c1ccc(o1)-c1cc(Cl)ccc1Cl |c:9|
CCc1cc2c(nc(SCC(=O)NC(=O)NCc3ccco3)n(CC=C)c2=O)s1
O=C(COC(=O)CCC(=O)c1cccs1)NCc1ccco1
Cc1ccc(C)c(SCC(=O)OCC(=O)c2ccco2)c1
CCCn1nc(C(=O)OCC(=O)c2ccc3OCC(=O)Nc3c2)c2ccccc2c1=O
COc1ccc(Cn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc23)cc1
COC(=O)c1cc(NC(=O)Cn2c3ccccc3ncc2=O)cc(c1)C(=O)OC
Cn1c(SCc2cc(=O)n3cc(Br)ccc3n2)nnc1C1COc2ccccc2O1
COc1ccc(cc1)-c1nnc(SCC(=O)C(C#N)C(C)=N)o1
Cc1nnc(Oc2ccccc2F)c2ccccc12
CCC1(C)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O
Fc1ccc(cc1)-c1csc(SCC(=O)NC(=O)NCc2ccco2)n1
Cc1cccc(c1)-n1c(SCc2cc(=O)n3ccsc3n2)nc2ccccc12
CCOC(=O)c1c(C)c(C)sc1Nc1nc(C)c(s1)C(=O)NC
Cc1onc(c1C(=O)OCC(=O)NCc1ccco1)-c1c(F)cccc1Cl |(7.42,4.12,;6.52,2.87,;4.98,2.87,;4.5,1.41,;5.75,.5,;6.99,1.41,;8.46,.93,;9.49,-.21,;9.6,1.96,;11.07,1.49,;12.21,2.52,;11.89,4.02,;13.68,2.04,;14.82,3.07,;16.29,2.6,;16.76,1.13,;18.3,1.13,;18.78,2.6,;17.53,3.5,;5.75,-1.04,;7.08,-1.81,;8.62,-1.81,;7.08,-3.35,;5.75,-4.12,;4.41,-3.35,;4.41,-1.81,;3.08,-1.04,)|
Cc1cccc(OCc2nnc(SCC(=O)NC(=O)NCc3ccco3)n2CC=C)c1
CCCn1c(N)c(-c2nc(-c3ccco3)c(s2)C(=O)c2ccccc2)c(=O)n(C)c1=O
Cc1ccccc1Nc1nnc(SCC(=O)NC(=O)NCc2ccco2)s1
CN1Cc2cc(cnc2NC1=O)C(=O)c1cc(Cl)cc(CSc2ncccn2)c1O
FC(F)Oc1ccc(cc1)-c1nnc(SCC(=O)NC(=O)NCc2ccco2)o1
FC(F)(F)c1cccc(SCC(=O)NC(=O)NCc2ccco2)c1
O=C(CSc1nnc(SCC(=O)c2ccco2)s1)c1ccco1
O=C(CCC(=O)c1cccs1)Nc1nnc(s1)C1CC1
CC1CCCN(C1)C(=O)COC(=O)c1n[nH]c2ccccc12
CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc2CCCc2s1
COc1ccc(cc1)-n1c(SCC(=O)Nc2ccc3OCOc3c2)nnc1C(C)N1CCCCC1
O=C(COC(=O)c1ccccc1Oc1ccccc1)NCc1ccco1
Cc1ccc(s1)C(=O)NCC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
CCSc1nnc(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)s1
Cc1nc2sccn2c1-c1nc(cs1)-c1cc2ccccc2o1
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(nc2ccccc12)-c1ccco1
CN(CC(=O)NC(=O)NCc1ccco1)Cc1nc2ccccc2c(=O)[nH]1
NC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2CCCc12
COc1ccc(OCCC(=O)OCC(=O)NCc2ccco2)cc1
COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3)c2=O)ccc1O |w:9.11|
Brc1ccccc1-c1nnc(CSc2nnnn2-c2ccccc2)o1
Cc1sc2ncnc(SCC(=O)NC(=O)NCc3ccco3)c2c1C
CCc1nnc2SCC(=Nn12)c1ccc(o1)-c1cc(Cl)ccc1Cl |c:8|
Cc1cccc2c(C)cc(SCC(=O)NC(=O)NCc3ccco3)nc12
NC(=O)c1ccc(F)cc1
CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc4OCOc4c3)nc12
COc1cc(NC(=O)c2cccs2)c(cc1OC)C(=O)OCC(=O)NCc1ccco1
CSCCC1NC(=O)NC1=O
Cc1ccc(cc1C(=O)Nc1nnc[nH]1)S(=O)(=O)N1CCCCC1
CC(=N)C(C#N)C(=O)CSc1nnc(o1)-c1ccc(OC(F)F)cc1
O=C(OCn1nnc2ccccc2c1=O)c1cn(nc1-c1cccnc1)-c1ccccc1
O=C(COC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1)NCc1ccco1
COc1ccc(C)cc1-n1nnnc1SCC(=O)NC(=O)NCc1ccco1
Cc1ccc(cc1)-c1csc(NC(=O)c2ccno2)n1
CCC1(CC)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O
Clc1ccc2sc(SCC(=O)NC(=O)NCc3ccco3)nc2c1
COC(=O)c1ccc(CSc2nc(C)nc3sc(C)c(C)c23)o1
Cc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)OCC(=O)NCc2ccco2)cc1
CC(C)CC(=O)Nc1ccc(cc1)C(=O)COc1ccc(cc1)-c1nnco1
Cc1cc(no1)C(=O)OCC(=O)c1ccc(Br)s1
CC(=N)C(C#N)C(=O)CSc1nnc(Cc2ccccc2F)n1N
O=C(Cc1cn2ccsc2n1)OCc1nc2ccccc2s1
O=C(COC(=O)CCOc1ccccc1)NCc1ccco1
COc1cc(cc(OC)c1OC)C(=O)OCC(=O)Nc1c(F)c(F)c(F)c(F)c1F
CCc1nnc(NC(=O)C2Cc3ccccc3CN2S(=O)(=O)c2cccs2)s1
COc1ccc(C(=O)CSc2nnc(C3CCCCC3)n2N)c(OC)c1
CS(=O)(=O)c1ccc2nc(NC(=O)CCC(=O)c3cccs3)sc2c1
O=C(Cc1coc2cc3CCCc3cc12)OCc1cc(=O)n2c(n1)sc1ccccc21
CCC1(CC)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O
[#6]-[#6]-[#6]-[#16]-c1nc(-[#6])c(cc1C#N)-c1csc(n1)-[#6](\C#N)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
COc1ccc(Cl)cc1NC(=O)c1ocnc1C
CCOc1ccccc1C=c1sc2nc(nn2c1=O)-c1ccco1
Brc1ccc(o1)C(=O)Nc1ccc2nn(nc2c1)-c1ccccc1
Nc1nc(CSc2nc(cc(c2C#N)C(F)(F)F)-c2ccccc2)nc(n1)N1CCOCC1
CCOC(=O)c1c(C)oc2c1c(C=NC1CCS(=O)(=O)C1)c(O)c1ccccc21 |w:13.14|
O=C(NCc1ccco1)c1cc2ccccc2c(=O)o1
COc1ccccc1C=c1sc2nc(nn2c1=O)-c1ccco1
O=C(N1CCc2ccccc2C1)c1cc(on1)-c1ccco1
CCOc1ccc(C=c2sc3nc(nn3c2=O)-c2ccco2)cc1OCC
[H]C12CC(C)(Oc3ccccc13)N(C)C(O)=C2C(=O)\C=C\c1ccc(OC)cc1 |c:17,TLB:13:12:2:5.11.6,THB:10:11:2:12.16.14,17:16:2:5.11.6|
Cc1ccc(o1)-c1cc(C(=O)NCc2ccco2)c2ccccc2n1
COC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(cc1)N(C)C
O=C(NCc1ccco1)c1cc2CSCc2s1
O=C1CC(\C=C\c2ccco2)=Nc2ccccc2N1 |c:11|
COC(=O)c1ccc(CSc2nc3n(ncc3c(=O)[nH]2)-c2ccc(C)c(C)c2)o1
Cn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCC1
COc1ccc2nc3oc(cc3cc2c1)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
COc1ccc(Cl)cc1NC(=O)c1oc(C)nc1C
C=CCn1c2nc3ccccn3c(=O)c2cc(C#N)c1=O
Cn1ccnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1
Cc1c([nH]c2CC(CC(=O)c12)c1ccco1)C(=O)OCC1CCCO1
CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=O)n(CC=C)c2=O
[#6]-[#6](=O)-[#7]-c1nc(\[#6]=[#6](\Cl)Cl)cs1
COc1cc(C=c2sc3nc(nn3c2=O)-c2ccncc2)ccc1OC(C)=O
CCOCCCNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)Nc1cccc(OC)c1
Clc1ccc(cc1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2cc3OCOc3cc2c1=O
O=C(Nc1cccc(c1)-c1cn2cccnc2n1)c1ccc2OCOc2c1
Clc1ccc2cc3cc(oc3nc2c1)C(=O)NCc1ccco1
Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)NCc1ccc2OCOc2c1
CCOc1cccc2cc(-c3cn4cc(C)ccc4n3)c(=O)oc12
O=C(Nc1ccc(cc1)-n1nncc1-c1ccco1)c1cc2ccccc2oc1=O
CSc1ccc(cc1)C1C(C#N)C(=N)Oc2c1ccc(=O)c1c(C)oc(C)c21
Cc1ccc2OCC(=O)N(CC(=O)NC3CCCc4ccccc34)c2c1
Clc1ccc(CNC(=O)c2cc(on2)-c2cccs2)cc1
CN1C(=O)CSc2ccc(NC(=O)N3CCC(CC3)N3CCCCC3)cc12
COc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCc2ccc3OCOc3c2)cc1
O=S(=O)(CCC#N)c1nnnn1-c1ccccc1
CC(=O)Nc1ccc(cc1)N=Cc1nc(oc1O)-c1ccc(C)cc1 |w:10.10|
Clc1ccc(cc1)-c1nc(NC(=O)CSc2nnnn2-c2ccccc2)ns1
OC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccccn1 |c:11|
COc1ccc(Br)cc1CNC(=O)C1CCCN(C1)c1nc2ccccc2o1
N=C1OC2=C(CCC\C2=C\c2ccoc2)C(C1C#N)c1ccoc1 |t:3|
OC1C(Sc2ccccc2NC1=O)c1ccccc1
O=C(N1CCCc2ccccc12)c1cc(on1)-c1ccco1
Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)N1CCC2(CC1)OCCO2
CCOc1cccc2cc(-c3nnc(NCc4ccco4)s3)c(=O)oc12
CCOC(=O)c1c2CCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)n1C
CCN(c1ccccc1)S(=O)(=O)c1ccc2ncc(C(=O)NCCOC)c(O)c2c1
Cc1ccc(C=c2sc3nc(nn3c2=O)-c2ccco2)o1
Cc1nc2cccc(C(=O)NCc3ccccc3)c2o1
Cc1ccc(CNc2nc3ccccc3n3nnnc23)cc1
COc1ccc(CNC(=O)c2cc(on2)-c2cccs2)cc1
OC(=O)c1cc(nc2ccc(Br)cc12)-c1ccco1
Brc1ccc(cc1)-n1c(SCC(=O)Nc2nccs2)nc2CCSc2c1=O
CCC(=O)Nc1nonc1-c1nc2ccccc2n1N(C(=O)CC)C(=O)CC
COc1ccc(cc1OC)-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(Cl)c3)c2n1
COC(=O)COc1ccc(cc1)S(=O)(=O)Nc1ccc2OCOc2c1
Cc1occc1C(=O)NCc1cccc(CNC(=O)c2ccoc2C)c1
Cc1cc(-c2nn3c(nnc3s2)-c2ccccc2)c2ccccc2n1
Oc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)n1cc(NC(=O)c2cnn3c(cc(nc23)-c2ccco2)C(F)(F)F)cn1 |TLB:5:3:11:6.9.8,8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|
COC(=O)Oc1c(Br)c(=O)oc2ccccc12
CC(NC(=O)c1cccs1)c1nnc(SCC(=O)NC2CCCCC2)n1CC=C
O=c1oc2ccccc2n1CCn1c2ccccc2c2nc3ccccc3nc12
Cc1cc(Cl)c(cc1OCC(N)=O)S(=O)(=O)Nc1ccc2OCOc2c1
CN1C(=O)C(Cc2ccc(OCC=C)cc2)C(=O)N(C)C1=O
CCn1nnc(NC(=O)CSc2ccc(Cl)cc2)n1
CCOC(=O)C1CCCN(C1)C(=O)c1cc2ncc(Br)cn2n1
CC1CCc2c(C1)sc(NC(=O)c1ccc(Cn3cc(Br)cn3)o1)c2C(N)=O
OC(=O)c1cc(nc2ccccc12)-c1ccco1
O=C(CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)NCC1CCCO1
Clc1ccc(NC(=O)COc2ccccc2)cc1-c1nc2ncccc2o1
COc1ccc2c3ccc(OCC(=O)N4CCC(C)CC4)cc3oc(=O)c2c1
Brc1cnc2cc(nn2c1)C(=O)N1CCN(CC1)C(=O)c1ccco1
CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1
Cc1cc(C)c2nc(cc(C(=O)NCc3ccco3)c2c1)-c1ccccn1
CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1cnccn1
Cc1cc(Cl)cc(C)c1OCCCCN1CCOCC1
Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nnc(-c2cc(Cl)ccc2O)n1C
O=C(Cc1cccs1)Nc1ccccn1
Cc1ccc(OCc2ccoc2C(O)=O)cc1C
Cc1ccc(cc1C)-n1nnnc1SCC(=O)Nc1ccc2C(=O)OCc2c1
O=C(Nc1ccc2nn(nc2c1)-c1ccccc1)c1ccc2OCOc2c1
COc1ccc(cc1NC(=O)Cn1nc(C)c2ccccc2c1=O)-c1nn(C)c(=O)c2ccccc12
Fc1ccccc1-c1nc2cc(NC(=O)c3cncc(Br)c3)ccc2o1
CC1CC(n2nc(cc2N1)C(O)=O)C(F)(F)C(F)(F)F
COC(=O)c1cnn2c(cc(nc12)-c1ccco1)C(F)(F)F
COc1cccc(c1)-c1nnc(NC(=O)Cc2cccs2)s1
O=C(CSc1nnc([nH]1)-c1ccco1)Nc1sc2CCCCc2c1C(=O)Nc1ccccc1
CN(c1ccccc1C(O)=O)S(=O)(=O)c1ccc2NC(=O)c3cccc1c23
CSc1ccc(cc1)S(=O)(=O)Nc1cccc(F)c1
CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc2OCOc2c1
Cc1occc1-c1nnc2sc(nn12)-c1cc(oc1C)-c1ccc(Cl)cc1
Cn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc32)nnc1-c1ccccc1
CCOCC(=O)Nc1cccc(c1)C(=O)OCC
Cc1occc1C(=O)Nc1ccccc1NC(=O)c1ccoc1C
CSc1ccc(cc1)S(=O)(=O)Nc1c(C)cccc1C
CC(=O)OC1CC(C)(C)N(OC(=O)c2ccc(N)cc2)C(C)(C)C1
Cc1ccc(C)n1-c1ccc(cc1C)C(O)=O |(3.08,3.19,;4.54,3.66,;5.02,5.13,;6.56,5.13,;7.04,3.66,;8.5,3.19,;5.79,2.76,;5.79,1.22,;7.12,.45,;7.12,-1.09,;5.79,-1.86,;4.46,-1.09,;4.46,.45,;3.12,1.22,;5.79,-3.4,;7.12,-4.17,;4.46,-4.17,)|
Oc1ccc(O)n1-c1ccc(OC(=O)c2ccco2)cc1
O=c1n2CCCCNc2nc2ccccc12
CSCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
COC(=O)c1oc2ccc(Br)cc2c1NC(=O)CCCN1C(=O)c2ccccc2C1=O
COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O
COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
C\C=C\COC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
Cc1cccc(N2CCN(CC2)c2nc3ccccc3n3cnnc23)c1C
Cc1c([nH]c2CC(CC(=O)c12)c1ccco1)C(=O)OCc1ccccc1
COc1cc(OC)nc(NC(=O)C(C)C)n1
COC(=O)c1cc(NC2N(C(=O)c3ccccc23)c2ccc(Cl)cn2)cc(c1)C(=O)OC
COc1cc(C)c(cc1C)S(=O)(=O)NCc1ccc2OCOc2c1
CCOC(=O)CSc1nn(C)c(=S)s1
CCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
C(Oc1ccccc1)c1nnc2sc(nn12)C1COc2ccccc2O1
Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)Nc1ccc2OCOc2c1
Cc1ccc(cc1)-c1nnc2SCC(=Nn12)c1ccc(Br)cc1 |c:14|
COC(=O)c1ccc2N3CCCC3C(=O)N(Cc3nc(oc3C)-c3cccc(C)c3)c2c1
COc1ccc(cc1)N1Cc2cccc(C(O)=O)c2C1=O
O=C(Nc1nc(cs1)-c1nc2ccccc2s1)C1COc2ccccc2O1
O=S(=O)(NCc1csc(n1)-c1cccnc1)c1cccs1
CC1Cc2nc(SCC(=O)Nc3cc(C)on3)n(CCc3ccccc3)c(=O)c2S1
CC1Cc2nc(SCC(=O)Nc3nnc(C)s3)n(CCc3ccccc3)c(=O)c2S1
Clc1ccc(s1)S(=O)(=O)NCCc1csc(n1)-c1cccnc1
Cc1csc2nc(CCNS(=O)(=O)c3ccc4OCCOc4c3)cn12
Cc1cc(NC(=O)CSc2cn(CCNC(=O)c3ccc(Cl)cc3)c3ccccc23)no1
Cc1ccc(C(=O)CSC2=C(C#N)C(CC(=O)N2)c2ccco2)c(C)c1 |c:9|
NC(=O)c1c(NC(=O)c2cccs2)sc2CCCCCCc12
CCOC(=O)c1c(O)c(=CN(C)C)sc1=C |w:9.9|
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)n1
Cc1c(C=Nn2cnnc2)c2ccccc2n1CCOc1ccc(Cl)cc1 |w:4.4|
Cc1onc(c1C(=O)NCc1cccnc1)-c1ccccc1Cl
CN1C(=O)C(=C2SC(Nc3cccc(C)c3C)=NC2=O)c2ccccc12 |w:4.21,c:17|
C=CCSC1=N\C(=C/C=C/c2ccco2)C(=O)S1 |t:4|
Cc1sc2ncnc(NCc3ccco3)c2c1C
CC(=O)c1cccc(NC(=O)Cc2cccs2)c1
OC(=O)C1Nc2c(cccc2C(=O)N2CCOCC2)C2C=CCC12 |c:22|
CCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1
CC(=O)NCCOC(=O)Nc1ccncc1
CCOC(=O)CCC(=O)Nc1ccccc1C(N)=O
COc1nnc(-c2ccc(C)c(c2)S(=O)(=O)NCCO)c2ccccc12
Nc1c(C#N)c(cc(-c2ccccc2)c1C#N)-c1ccco1
CCOC(=O)c1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1
CC(NC(C)=O)C(=O)OCC(=O)Nc1ccc(Br)cc1
Oc1ccc(C=Nc2ccc(cc2)N2CCOCC2)c(O)c1 |w:6.6|
COc1ccc(cc1)-c1cc(n2ncc(C(=O)NCc3ccco3)c2n1)C(F)(F)F
COc1cc(NC(=O)COc2ccc(cc2)-n2cnnn2)c(OC)cc1Cl
Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)OCN1C(=O)c2ccccc2C1=O
CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|
c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl
CC(=O)CCc1ccc2cc(ccc2c1)OC
Cc1cc(C)cc(OCc2nc3ncc(Br)cc3[nH]2)c1
Fc1ccc(cc1)-c1nnc(-n2nnc3ccccc23)c2ccccc12
CCNc1ccc(Br)cc(C(=O)\C=C\c2ccccc2Cl)c1=O
O=C(CSc1ncccn1)Nc1oc(c(c1C#N)-c1ccccc1)-c1ccccc1
CCCCOC(=O)c1cc(ccc1Cl)-c1ccc(C=Nn2cnnc2)o1 |w:19.20|
O=C(Cc1cccs1)Nc1nnc(COc2ccccc2)s1
CCCCCCC1=Cc2c\c(=C3\NN=C(O3)c3ccccc3)c(=O)oc2=CC1=O |c:13,28,t:6|
Cc1ccc2[nH]c(=O)c(cc2c1)-c1nc2ccccn2c1NCc1ccco1
Cc1ccc2[nH]c(=O)c(cc2c1)C1C(C#N)C(=N)Oc2c1ccc1cccnc21
Cc1cccc2cc(C(N(CC3CCCO3)Cc3ccco3)c3nnnn3C(C)(C)C)c(=O)[nH]c12
CCc1ccc2[nH]c(=O)c(cc2c1)C1C(C#N)C(=N)Oc2c1ccc1cccnc21
Cc1ccc(cc1)C(N(Cc1cccs1)C(=O)c1csnn1)C(=O)NC(C)(C)C
CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
CCOC(=O)Cc1cc(=O)n2[nH]c(cc2n1)-c1ccc(C)cc1
CCCCSc1nnc2c(n1)[nH]c1ccccc21
CC(=O)Nc1ccc2nc(C)cc(O)c2c1
COc1ccc(cc1)-c1nnc(o1)-c1cc2c(ccc3ccccc23)oc1=O
COc1ccccc1C(=O)Nc1nc(c(NC(C)=O)s1)-c1cccs1
Cc1cc(C)n(CC(O)COc2ccccc2)n1
CC(NC(=O)CCSc1nc(cc(n1)C(F)(F)F)-c1ccc2OCOc2c1)c1ccccc1
O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCC(CC1)N1C(=O)C2CC=CCC2C1=O |c:30,(15.03,2.65,;14.26,1.32,;15.03,-.02,;16.57,-.02,;17.34,-1.35,;18.88,-1.35,;19.65,-.02,;21.19,-.02,;21.96,-1.35,;23.5,-1.35,;24.27,-2.69,;23.5,-4.02,;21.96,-4.02,;21.19,-2.69,;18.88,1.32,;17.34,1.32,;12.72,1.32,;11.95,-.02,;10.41,-.02,;9.64,1.32,;10.41,2.65,;11.95,2.65,;8.1,1.32,;7.2,.08,;7.68,-1.39,;5.75,.55,;4.41,-.22,;3.08,.55,;3.08,2.09,;4.41,2.86,;5.75,2.09,;7.2,2.56,;7.68,4.02,)|
COc1cccc2cc(-c3cn4ccc(C)cc4n3)c(=O)oc12
CN(C)c1nc(Nc2ccc(F)cc2)nc(N=NCc2ccc(Cl)c(c2)[N+]([O-])=O)n1 |w:16.16|
Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 |w:4.3|
CCOC(=O)c1c(O)c(=Cc2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)[nH]c1=C
FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)NCc1ccco1)-c1cccs1
Clc1ccc(Nc2nc(cs2)-c2ccncc2)cc1
Cc1cccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc23)c1
C\N=C1\SC(CC(=O)Nc2ccc(cc2)C(C)=O)C(=O)N1C
CC1CCc2c(C1)sc(NC(=O)c1ccc(Cn3cc(cn3)[N+]([O-])=O)o1)c2C#N
OCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
CCOC(=O)C1C(=O)C(S\C1=N/c1ccc(C)cc1)=Cc1cn(CC(=O)NCC2CCCO2)c2ccccc12 |w:19.21|
CCOC(=O)c1c(COC)n(C)c2c1-c1cc(Br)ccc1C(=O)C2=O
Cc1cc(C)c(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnnn4Cc4ccccc4)cc3s2)c(C)c1
CCCC(N=Nc1ccc(Cl)cc1)c1cnnc(n1)-c1ccccc1 |w:4.3|
Brc1ccc(cc1)-c1nnc(-c2cccnc2)c2conc12
COC(=O)C(C=Nc1ccc(Cl)c2ccccc12)c1ncc(cc1Cl)C(F)(F)F |w:6.6|
ClC(C(=O)Nc1ccc(cc1)N1CCCC1)c1ccccc1
Cc1ccc(C)n1-c1sccc1-c1cc2nc(C)c(Cl)c(=O)n2[nH]1 |(8.7,-1.22,;9.94,-2.13,;9.94,-3.67,;11.41,-4.14,;12.31,-2.9,;13.85,-2.9,;11.41,-1.65,;11.88,-.18,;13.35,.29,;13.35,1.83,;11.88,2.31,;10.98,1.06,;9.44,1.06,;8.54,-.18,;7.08,.29,;5.75,-.48,;4.41,.29,;3.08,-.48,;4.41,1.83,;3.08,2.6,;5.75,2.6,;5.75,4.14,;7.08,1.83,;8.54,2.3,)|
Fc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1cc2ncc(Br)cn2n1
Cc1ccc(NC(=O)c2sc3nc4CCCc4c(-c4ccco4)c3c2N)cc1
CSc1ncc2CSc3ccc(C)cc3-c2n1
NC(=O)C1(CCN(CC1)c1nc(cs1)-c1ccc(Br)cc1)N1CCCCC1
CSc1nc(NCc2ccco2)c2ccccc2n1
COc1ccc2c3ccc(OCC(=O)NC4CCCCC4)cc3oc(=O)c2c1
COc1ccccc1NC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)c1ccco1
Cc1snc2sc(C(=O)c3ccc(Br)cc3)c(N)c12
COc1ccc2c3cc4c(C)c(C)oc4cc3oc(=O)c2c1
Clc1ccc(cc1Cl)N1NC(=O)\C(=C/c2cccc(OC(=O)c3cccs3)c2)C1=O
Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(N2CCCCC2)c(c1)[N+]([O-])=O)C#N |w:11.13|
O=C(Nc1ccc(cc1)N1CCCC1)C(c1ccccc1)c1ccccc1
CCOc1ccc(NC2=NC(=O)SC2=Cc2ccc(OC)cc2)cc1 |w:14.15,t:8|
Cc1cc(C)c(c(C)c1)S(=O)(=O)N=C1C=CC(=O)C(Cl)=C1 |w:12.12,c:15,20|
O=S(=O)(N=C(Sc1ccccc1)c1ccccc1)c1ccccc1 |w:3.2|
CCn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc32)nnc1-c1ccc(N)cc1
Fc1ccc(CNc2nc3ccccc3n3cnnc23)cc1
COc1ccc2cc3c(N)nn(C(=O)Cc4ccc(Cl)cc4)c3nc2c1
CSC1=N\C(=C/c2ccc(Br)o2)C(=O)S1 |t:2|
COc1ccc2C(=O)\C(CCc2c1)=C\c1ccc(OC)c(Cn2nc(C)cc2C)c1
Cc1ccc(cc1)C(=O)ONc1ccc(cc1)\N=N\C(=O)c1ccccc1O
Cc1ccc(cc1)C(=O)N\N=C\c1ccc(s1)[N+]([O-])=O
CCC1=NN2C(S1)=NC(=O)\C(=C\c1ccc(SCc3ccco3)o1)C2=N |c:7,t:2|
CCc1ccc(NC(=O)c2noc3CCCc23)cc1
[H]C12CCC([H])(C1)C1C2Sc2[nH]c(=O)sc2C1c1ccc(O)cc1 |TLB:16:7:6:3.2,THB:9:8:6:3.2|
CSc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c1
[O-][N+](=O)c1cc(ccc1Cl)C(=O)NNC(=O)c1ccc(SCC2CCCO2)c(c1)[N+]([O-])=O
Cc1ccc(cc1)-n1c2nc3c(C)cccn3c(=O)c2cc(C#N)c1=O
COCCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc3OCOc3c1)c2=O
CCOC(=O)c1c(O)c(=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)[nH]c1=C
Clc1cccc(c1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O
Oc1c(C=Nc2cccc3cccnc23)sc2ccccc12 |w:4.4|
[O-][N+](=O)c1ccc(Oc2cccc([CH+][N-]NC(=O)c3cncc(Br)c3)c2)c(c1)[N+]([O-])=O
Cc1ccc(NC(=O)C(\NC(=O)C2CCCCC2)=C\c2cccc(c2)[N+]([O-])=O)c(C)c1
COc1cccc(\C=C2/N=C(OC2=O)c2c(C)onc2-c2ccccc2)c1OC |c:9|
COc1cccc2sc(Nc3nnc(o3)-c3ccc(F)cc3)nc12
CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1
CCCc1cc2c(cc1OC(=O)c1ccco1)occ(-c1ccc3OCCOc3c1)c2=O
Fc1ccc(NCc2cccnc2)cc1F
CN(N=Cc1cccnc1)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl |w:2.1|
COc1cc(\C=C2/C(=O)N=C3SC=CN3C2=N)ccc1OCCCOc1ccccc1C |c:12,t:9|
ClC1=CCC2C(C1)C(=O)N(CCCCCCN1C(=O)C3CC=C(Cl)CC3C1=O)C2=O |t:1,22|
O=C(Nc1nc2ccccc2s1)c1cc2COc3ccccc3-c2s1
COc1ccc(cc1)-n1nc(C(=O)Nc2ccc(OC)c(OC)c2)c2c3ccccc3n(C)c2c1=O
Cc1nn(Cc2ccc(o2)C(=O)Nc2nc3c(C)cccc3s2)c(C)c1Br
Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
CCOc1ccc(NC(=O)c2cc3cc4ccc(OC)cc4nc3o2)cc1
CCOC(=O)C1=c2n(c(C#N)c(N)c2=Cc2ccccc2OC)C(=O)C(S1)c1ccccc1OC |t:5|
COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccccc1Cl)n(CC1CCCO1)c2=O
COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)NCc1ccc3OCOc3c1)c2=O
COC(=O)c1c(O)c(=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)[nH]c1=C
Clc1ccc(s1)S(=O)(=O)NCc1csc(n1)-c1cccnc1
CNc1nnc(s1)-c1cc2cc(Cl)ccc2oc1=O
Cc1ccc(cc1)-c1n[nH]c(=S)n1[N-]C=C[CH+]c1ccccc1[N+]([O-])=O |w:14.15|
CCOC(=O)c1cc2ccccc2n1CCN(CC)CC
NC(Cc1ccc(cc1)[N+]([O-])=O)=NOC(=O)c1ccc2ccccc2c1 |w:12.13|
COc1ccc(cc1OC)C1CC(=NN1S(C)(=O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:13|
O=C(CCC(=O)Nc1nnc(s1)C1CCCCC1)NCC1CCCO1
Fc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(Cc3cccnc3)c2=N)cc1
O=Cc1ccc2oc3nc4SCCCn4c(=O)c3c(=O)c2c1
CCOP(=O)(OCC)C1(NS(=O)(=O)c2ccccc2)C=C(Br)C(=O)c2ccccc12 |t:20|
Fc1ccc(cc1)C1CC(=O)c2cnc(NCC3CCCO3)nc2C1
OCCN=C(CC(=O)c1ccc(Cl)cc1)C(F)(F)F |w:3.2|
CCOP(=O)(OCC)C1(NS(=O)(=O)c2ccccc2)C=C(Cl)C(=O)c2ccccc12 |t:20|
Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)c(n1)-c1ccco1
O=C(Cn1c2sc3CCCCCc3c2c(=O)n(Cc2ccco2)c1=O)Nc1ccccc1
CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccc(OC)cc4)n3N)ccc12
COc1ccc(NC2=NC(=O)SC2=Cc2ccc(cc2)N(C)C)cc1 |w:13.14,t:7|
O=C(Cn1c2sc3CCCCCc3c2c(=O)n(Cc2ccco2)c1=O)c1ccccc1
CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccco1 |c:13|
Brc1ccc(cc1)C1Nc2sc3CCCc3c2C(=O)N1
Cc1cc(C)n2nc(SCc3cc(=O)oc4cc(O)ccc34)nc2n1
Cc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3c(=O)n2C)n1
CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccccc2)cc1
CCc1cccc2c(c[nH]c12)C(=O)Cn1nnc(n1)-c1ccc(OC)c(OC)c1
CC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc[nH]1)C2=O |(3.08,-.95,;4.62,-.95,;5.39,-2.28,;6.93,-2.28,;7.7,-.95,;6.93,.38,;5.39,.38,;8.61,-2.2,;10.07,-1.72,;11.32,-2.63,;10.07,-.18,;11.32,.72,;12.72,.1,;12.88,-1.43,;13.97,1,;15.43,.53,;16.34,1.77,;15.43,3.02,;13.97,2.54,;8.61,.3,;8.13,1.76,)|
Cn1c(Cc2ccccc2)nnc1SCC(=O)c1cccs1
O=C(Cc1ccc(s1)S(=O)(=O)N1CCOCC1)Nc1nc2CCCCc2s1
CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(cc2)C#N)c1C
Clc1ccc(SC(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc1 |w:7.7|
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CSc1ncc(cc1Cl)C(F)(F)F
CCN(c1ccccc1)S(=O)(=O)c1cc(ccc1C)C(O)=O
Cc1nn(c(Cl)c1CN=Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccccc1C(O)=O)-c1ccccc1 |w:9.10|
Cn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccccc1
CCCNC(=O)c1ccc(s1)-c1nc2ccccc2s1
COc1ccc(Cc2nc3ccc(cc3[nH]2)S(=O)(=O)N2CCOCC2)cc1
Fc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1
O=C(Nc1ccc2oc(nc2c1)-c1ccc2ccccc2c1)c1cccs1
CCOc1ccc(Nc2oc(nc2C#N)-c2ccccc2Cl)cc1
NC(=S)n1[nH+]c(-c2ccc(cc2)[N+]([O-])=O)[c-]([NH+]=Nc2ccc([O-])cc2)c1=O |w:16.16|
Cc1ccc(NC(=O)CN2C(=O)S\C(=C\c3ccc(o3)-c3cc(ccc3C)C(O)=O)C2=O)cc1C
[O-][N+](=O)c1ccccc1NC(=O)[C-]1c2[nH]c3ccccc3[n+]2CCC1=O
O=Cc1cn(nc1-c1cc2c(ccc3ccccc23)oc1=O)-c1ccccc1
O=C(Nc1cccc(c1)C(=O)Nc1cccc(c1)-c1cnc2ccccc2n1)c1ccco1
Clc1cc2C(=O)c3ccccc3C(=O)c2cc1NC(=O)COC(=O)CC1CCCC1
CCOC(=O)c1c(C)oc2c1c(C(N1CCCCC1)c1cccnc1)c(O)c1ccccc21
Cc1nnc(SCC(=O)NC(=O)NCc2ccco2)n1Cc1ccccc1
COc1ccccc1N1CCN(CC1)C(=O)c1cc2CCCc2s1
Cn1nc([N+]([O-])=O)c2c(c(N)n(C3CCCCC3)c2c1=O)-c1nc2ccccc2s1
Cc1noc(C)c1COc1ccc(cc1)C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C
Cc1ccc(cc1)N=Cc1c(O)n(-c2ccc3OCOc3c2)c(=O)c2ccccc12 |w:7.7|
OC(=O)CCn1ccnc1-c1ccccc1
O=C1N(CCCc2nc3ccccc3c(=O)n2CCCn2ccnc2)C(=O)c2ccccc12
Cc1ccc(Cn2c(NC(=O)c3ccco3)nc3ccccc23)cc1
CC1Cc2ccccc2N1C(=O)CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)N1CCCC1
COc1ccc(OC)c(c1)C(=O)CSc1nnc(o1)-c1ccc(OC)c(OC)c1
COc1nc(ccc1-c1noc(n1)-c1ccco1)-c1ccc(Cl)cc1
O=C(N(Cc1ccco1)Cc1cccs1)c1cc2ccccc2oc1=O
O=C(N1CCc2ccccc12)c1cc2sccc2n1Cc1ccccc1
Cc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)N2CCOCC2)cc1
Cc1ccc(F)cc1NC(=O)c1cccc2nccnc12
CCOc1ccc(Cc2sc(Nc3ccccn3)nc2O)cc1
CCC(=O)Oc1ccc(cc1)C(\CC)=C(/CC)c1ccc(OC(=O)CC)cc1
C[C@]12CC[C@H]3[C@@H](CC(=O)c4cc(O)ccc34)[C@@H]1CC[C@@H]2O
C\C=C(\C(=C\C)\c1ccc(O)cc1)/c1ccc(O)cc1
C[C@]12CC[C@H]3[C@@H](CCc4cc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C([O-])=O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
CCC(C(CC)c1ccc(OC(=O)CC)cc1)c1ccc(OC(=O)CC)cc1
COCCCn1c2nc(C)n(-c3ccccc3OC)c(=O)c2c2nc3ccccc3nc12 |(13.64,6.58,;13.64,5.04,;12.31,4.27,;12.31,2.73,;10.98,1.96,;10.98,.42,;9.74,-.49,;8.19,-.13,;7.11,-1.3,;5.61,-.98,;7.6,-2.82,;6.57,-3.97,;7.06,-5.43,;6.03,-6.58,;4.52,-6.26,;4.04,-4.8,;5.07,-3.65,;4.59,-2.19,;3.08,-1.87,;9.16,-3.14,;9.66,-4.6,;10.21,-1.94,;11.74,-1.95,;12.78,-3.09,;14.28,-2.77,;15.34,-3.98,;16.91,-3.66,;17.4,-2.13,;16.32,-.95,;14.76,-1.31,;13.73,-.16,;12.22,-.48,)|
Cc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1C
CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1ccccc1OC
COc1ccc(cc1)-c1ccc(-c2noc(n2)-c2cccs2)c(OC)n1
[H][C@@]12CN(C[C@@]([H])(C1)c1cccc(=O)n1C2)C(=O)c1ccc(cc1)-c1nnc(OC)c2ccccc12 |TLB:9:8:7:3.2.4|
Cc1cc(n[nH]1)-c1nnc2sc(nn12)-c1ccc(Cl)cc1Cl
Cc1nn(-c2ccc(Cl)cc2)c2sc(cc12)C(=O)N1CCN(CC1)c1ccccn1
Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)c1c(N)n(C)c(=O)n(C)c1=O
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(o1)-c1cc(OC)c(OC)c(OC)c1
C[C@H]1CCC[C@H](CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O
CC(C)CCNC(=O)COc1ccc2c3CCCc3c(=O)oc2c1
Cc1noc(C)c1COC(=O)c1cc2c3ccccc3n(C)c2s1
O=C(Nc1nccs1)c1nc(-c2ccccc2)n(n1)-c1ccccc1
Cc1cc(C(=O)CSc2nnc(o2)-c2ccccc2F)c(C)n1Cc1cccs1
COc1ccc(cc1)-c1nnc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)o1
CCOc1ccccc1-c1nc(no1)-c1ccc(NC(=O)c2ccc(Br)o2)cc1
O=C(Nc1ccc(cc1)-c1noc(n1)-c1cccs1)c1cccnc1
O=C(Cn1ncc2c1c1ccccc1oc2=O)Nc1nc2ccccc2s1
CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2ccc(F)cc2s1
O=C(Nc1cccnc1)c1cc(on1)-c1ccc2OCOc2c1
COc1ccc(CCn2c(SCC(=O)Nc3cc(C)on3)nc3ccsc3c2=O)cc1OC
COC(=O)c1ccc(CSc2nc3n(ncc3c(=O)[nH]2)-c2ccc(F)cc2)o1
NC(=O)c1oc2ccccc2c1NC(=O)c1nc2ccccc2s1
CCOc1ccccc1C1C(C#N)C(N)=Nc2onc(c12)-c1ccccc1 |c:15|
CCc1[nH]nc2OC(=N)C(C#N)C(c12)c1cccc(OC(=O)N2CCOCC2)c1
Clc1ccc(cc1)C(=O)CSc1nc2n(ncc2c(=O)[nH]1)-c1ccccc1
Cc1cc2ccccc2n1CCNS(=O)(=O)c1ccc(C)cc1
CCc1ccc(Nc2nc(N)nc(CSc3nnnn3-c3ccccc3)n2)cc1
Cc1ccc(cc1)-c1nnc(o1)-c1ccc(NC(=O)c2ccco2)cc1
Clc1ccc(CC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)cc1
Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Cn1nnnc1SCC(=O)Nc1nc(c(o1)-c1ccccc1)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
COC(=O)c1c(NC(=O)c2ccoc2C)scc1-c1ccncc1
CCc1nnc2sc(nn12)-c1ccc(NC(=O)c2ccc3OCCOc3c2)cc1
CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2cc(Br)ccc2o1
CCOC(=O)c1cc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)c2OCOCc2c1
O=C(Cc1ccccc1)Nc1ccc2oc(nc2c1)-c1cccnc1
COc1cc(cc(OC)c1OC)C(=O)Nc1nnc(s1)-c1sccc1C
CCN(CC)c1ccc2c(c1)oc(=O)c1c(Cl)cc(=O)oc21
CCOc1ccccc1N1CSC2=C(C#N)C(CC(=O)N2C1)c1c(OC)ccc2ccccc12 |c:13|
Cc1ccc(NC(=O)CSc2nnc(Cn3c4ccccc4sc3=O)n2C)cc1Cl
COc1cccc(c1)C1CC(Nc2nc(N)nn12)c1ccc(F)cc1
Cc1cccc(N2CCN(CC2)C(=O)c2cc3c(n2C)c2ccccc2n(C)c3=O)c1C
O=C(Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCCCC1)NC1CCCCC1
COc1cc(NC(=O)c2cc3c(n2C)c2ccccc2n(C)c3=O)cc(OC)c1OC
Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)COc2ccc(Cl)cc2)c1
COc1ccccc1-n1c(SCC(=O)NC2CCCCC2)nc2CCSc2c1=O |(9.75,6.93,;9.75,5.39,;8.41,4.62,;7.08,5.39,;5.75,4.62,;5.75,3.08,;7.08,2.31,;8.41,3.08,;9.75,2.31,;9.75,.77,;8.41,,;8.41,-1.54,;7.08,-2.31,;5.75,-1.54,;7.08,-3.85,;5.75,-4.62,;4.41,-3.85,;3.08,-4.62,;3.08,-6.16,;4.41,-6.93,;5.75,-6.16,;11.08,,;12.42,.77,;13.87,.3,;14.77,1.54,;13.87,2.78,;12.42,2.31,;11.08,3.08,;11.08,4.62,)|
CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)Nc1ccc3OCCOc3c1)c2=O
COc1ccc(cc1)-c1cn2c(C)c(sc2n1)C(=O)Nc1ccncc1
CCn1c2c(OC)ccc(OC)c2sc1=NC(=O)c1ccc(cc1)-n1c(O)ccc1O |w:15.17|
CCSc1nc2n(ncc2c(=O)[nH]1)-c1ccc(C)cc1
CCOC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C
OC(C(=O)OCC(=O)c1ccc2OCCOc2c1)c1ccccc1
CCOC(=O)Cn1c(nc2ccccc12)-c1nonc1NC(=O)c1ccccc1F
CSc1nnc-2c(OC(N(C(C)=O)c3ccccc-23)c2ccsc2)n1
Cc1ccc(cc1)S(=O)(=O)c1nc(sc1NCC1CCCO1)S(C)(=O)=O
C[C@]12CC[C@H]3[C@@H](C[C@H](O)c4cc(O)ccc34)[C@@H]1CC[C@@H]2O
CCOC1C=Cc2ccccc2N1C(=O)OCC |c:4|
Brc1ccc(s1)C(=O)NCCCCCCNC(=O)c1ccc(Br)s1
CCc1ccc2nc(SCC(=O)N3CC(=O)Nc4ccccc34)c(cc2c1)C#N
Cc1ccc(NC(=O)CSc2nnnn2-c2ccc3OCOc3c2)cc1C
CCOc1ccccc1N1C(=O)NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C1=O
COc1cccc(c1)-n1nnnc1SCC(=O)Nc1ccc(cc1)C(C)=O
O=C1C(C(=O)c2ccccc12)c1ccnc2ccccc12
Cc1ccc2ccc(nc2c1)C1C(=O)c2ccccc2C1=O
CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nnc(o1)-c1ccccc1)C(C)=O
Brc1ccc(o1)C(=O)Oc1ccc(cc1)-c1cnc2ccccc2n1
O=c1cc(oc2c3ccccc3ccc12)-c1ccco1
COc1cccc(c1)-c1cc(no1)C(=O)Nc1cc(C)nn1-c1ccccc1
COc1ccc(cc1)-c1c2C(=O)c3ccccc3-c2nc(C)c1C#N
O=C(Oc1cccc(c1)-c1cnc2ccccc2n1)c1ccco1
O=C(Nc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccccc1
Cc1cc2oc(=O)cc(COC(=O)c3n[nH]c4ccccc34)c2cc1C
COC(=O)c1ccc(COC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(C)CC2)o1
Brc1ccc(s1)C(=O)Nc1nc(cs1)-c1ccccn1
COc1cc(NC(=O)c2cccs2)c(cc1OC)C(=O)OCC(=O)NC(=O)NCc1ccccc1
COc1ccc(cc1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O
Clc1ccc(cc1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O
Clc1cccc(c1)N1CCN(CC1)C(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O
FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O
COC(=O)c1ccc2c(c1)[nH]c(=S)n(CCCC(=O)N1CCN(CC1)c1cccc(Cl)c1)c2=O
COc1cc2[nH]c(=S)n(CCCC(=O)N3CCN(CC3)c3cccc(Cl)c3)c(=O)c2cc1OC
O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(Cc2cccc3ccccc23)CC1
O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)c1cccc2ccccc12
Oc1ccccc1N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O
Oc1cccc(c1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O
O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)c1ccncc1
O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC(CC1)c1ccccc1
O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC(CC1)Nc1ccccc1
O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1
O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)c1ncccn1
[O-][N+](=O)c1cccc(c1)N1CCN(CC1)C(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O
OC1(CCN(CC1)C(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O)c1ccc(Cl)cc1
O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)c1ccccc1C#N
CC(C)(C)OC(=O)[C@@H](CCC(=O)N1CCN(CC1)c1ccc(cc1)C#N)n1c(=S)[nH]c2ccccc2c1=O
O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)c1cccc(c1)C#N
FC(F)(F)c1ccc(N2CCOCC2)c(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)c1
COc1ccccc1N1CCN(CC1)C(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Cc1cc(no1)C(=O)Nc1sc2CCCc2c1C#N
Cc1cc(C)cc(OCC(=O)Nc2ccc(cc2)N2CCCC2)c1
O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)N1CCN(CC1)C(=O)c1ccco1
Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12 |r,c:22|
COc1ccc(cc1)C(=O)NN=C(C)c1ccc2NC(C3CC=CC3c2c1)c1ccccc1 |w:11.11,c:23|
Cc1cc(C)c2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(cc1)S(=O)(=O)N1CCOCC1 |c:10|
COc1cccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccc(cc2)C(O)=O)c1 |c:19|
OC(=O)c1cc(Cl)c2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(cc1)S(=O)(=O)N1CCOCC1 |c:12|
COc1cc(cc2C3C=CCC3C(Nc12)C1CCC=CC1)[N+]([O-])=O |c:8,21|
CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11|
CC(=O)c1ccc2NC(C3CC=CC3c2c1)c1cccc(c1)[N+]([O-])=O |c:11|
OC(=O)c1cccc2C3C=CCC3C(Nc12)c1cccc(c1)[N+]([O-])=O |c:9|
OC(=O)c1ccc(c2C3C=CCC3C(Nc12)c1ccc(Cl)cc1)[N+]([O-])=O |c:9|
CC(=O)Oc1ccc(cc1)C1Nc2c(ccc(c2C2C=CCC12)[N+]([O-])=O)C(O)=O |c:21|
OC(=O)c1cccc2C3C=CCC3C(Nc12)c1ccc(O)c(c1)[N+]([O-])=O |c:9|
COc1ccc(NS(=O)(=O)c2ccc3N[C@@H]([C@@H]4CC=C[C@@H]4c3c2)c2ccc(cc2)C(O)=O)cc1 |c:18|
COc1cccc([C@@H]2Nc3c(cc(Br)cc3C(O)=O)[C@@H]3C=CC[C@H]23)c1OC |c:21|
CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O
COC1C=C2C=C3N(C)C(=O)C(C)=C3[C@@H](C)[C@]2(C)CC1OC(=O)N(C)C |r,c:12,t:3,5|
CNC(=O)OC1C[C@@]2(C)[C@H](C)C3=C(C)C(=O)N(C)C3=CC2=CC1O |r,c:11,19,22|
CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:28|
CCCc1ccc(cc1)C(=O)N(c1ccc(O)cc1)c1ccc(O)cc1
Cc1cccc(CN(c2ccc(O)cc2)c2ccc(O)cc2)c1C
Oc1ccc(cc1)N(C(=O)c1ccc(O)c(F)c1)c1ccc(F)cc1
Cc1cccc(C(=O)N(c2ccc(O)cc2)c2ccc(O)cc2)c1C
Oc1ccc(cc1)N(C(=O)c1ccc2ccccc2c1)c1ccc(O)cc1
Oc1ccc(cc1)N(C(=O)c1ccc(O)c(F)c1)c1ccc(O)cc1
Oc1ccc(CN(c2ccc(O)cc2)c2ccc(F)cc2)cc1
Oc1ccc(cc1)N(C(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)N(C(=O)c1ccc(O)c(F)c1)c1ccccc1
Cc1c(F)cccc1C(=O)N(c1ccc(O)cc1)c1ccc(O)cc1
c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O
Oc1cc(Cc2ccccc2)c2CC(C(=O)Oc2c1)c1ccc(Cl)cc1
Oc1ccc(C(=O)Cc2cc3ccccc3o2)c(O)c1
O=C(Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1)c1ccco1
Cc1c(-c2ccc3OCOc3c2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
CC(C)Oc1ccc(cc1)-c1c(C)c2cc(O)ccc2n1Cc1ccc(OC2C=CC=C2)cc1 |c:31,33|
Cc1c(-c2ccccc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12
Cc1c(-c2ccccc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
COc1ccc2n(Cc3ccc(OCCN4CCCCC4)cc3)c(c(C)c2c1)-c1ccc(O)cc1
COc1ccc(cc1)-c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1
COc1ccc(cc1)-c1c(C)c2cc(OC)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1
COc1ccc(cc1)-c1c(C)c2cc(OC)ccc2n1Cc1ccc(OCCN2CCCCCC2)cc1
CCOc1ccc(cc1)-c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1
CCOc1ccc(cc1)-c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCCC2)cc1
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(F)cc12
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCCC3)cc2)c2ccc(O)cc12
CN(C)CCOc1ccc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)cc1
CCN(CC)CCOc1ccc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)cc1
CCCN(CCC)CCOc1ccc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)cc1
CCCCN(CCCC)CCOc1ccc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)cc1
CC(C)N(CCOc1ccc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)cc1)C(C)C
CCCCN(C)CCOc1ccc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)cc1
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCC[N+](C)(C)C)cc2)c2ccc(O)cc12
CC1CCCCN1CCOc1ccc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)cc1
CC1CCCN(CCOc2ccc(Cn3c(c(C)c4cc(O)ccc34)-c3ccc(O)cc3)cc2)C1
CC1CCN(CCOc2ccc(Cn3c(c(C)c4cc(O)ccc34)-c3ccc(O)cc3)cc2)CC1
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCC(C)(C)C3)cc2)c2ccc(O)cc12
C[C@H]1CCC[C@@H](C)N1CCOc1ccc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)cc1 |r|
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCC(O)CC3)cc2)c2ccc(O)cc12
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CC4CCC3C4)cc2)c2ccc(O)cc12
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CC4(C)CC3C(C)(C)C4)cc2)c2ccc(O)cc12
Cc1c(-c2ccc(F)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Cc1c(-c2ccc(F)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
CC(C)Oc1ccc(cc1)-c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1
CC(C)Oc1ccc(cc1)-c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCCC2)cc1
Cc1c(-c2ccc(cc2)C(F)(F)F)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Cc1c(-c2ccc(C)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Cc1c(-c2ccc(Cl)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Cc1c(-c2cccc(O)c2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Cc1c(-c2cccc(O)c2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
Cc1c(-c2ccc(O)c(F)c2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Cc1c(-c2ccc(O)c(F)c2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
COc1cccc(c1)-c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1
Cc1c(-c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Oc1ccc(cc1)-c1c(Cl)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCC2)cc1
Oc1ccc(cc1)-c1c(Cl)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)-c1c(Cl)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCCC2)cc1
Cc1cc(O)ccc1-c1c(Cl)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1 |(-.32,-3.97,;-1.09,-2.64,;-2.63,-2.64,;-3.4,-1.3,;-4.94,-1.3,;-2.63,.03,;-1.09,.03,;-.32,-1.3,;1.22,-1.3,;2.13,-.06,;1.65,1.41,;3.59,-.53,;4.92,.24,;6.26,-.53,;7.59,.24,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;5.22,-5.98,;4.74,-7.45,;5.77,-8.59,;5.3,-10.06,;6.33,-11.2,;5.85,-12.66,;4.34,-12.98,;3.87,-14.45,;4.9,-15.59,;6.4,-15.27,;6.88,-13.81,;3.23,-7.77,;2.2,-6.62,)|
CCc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Oc1ccc(cc1)-c1c(C#N)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)-c1c(C#N)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCCC2)cc1
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCCN3CCCCC3)cc2)c2ccc(O)cc12
COc1cc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)ccc1OCCN1CCCCC1
COc1cc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)ccc1OCCN1CCCCCC1
CCCCCC(O)[C@@H]1C2CC3=C(COC(\C=C\C)=C3)C(=O)[C@]2(C)OC1=O |r,c:17,t:10|
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
COCCCCCC[C@@H]1C[C@H]2[C@@H]3CC[C@H](O)C3CC[C@@H]2c2ccc(O)cc12 |r|
COC[C@@H]1CC2C3CC[C@H](O)[C@@]3(C)CCC2c2ccc(O)cc12 |r|
COC[C@@H]1C[C@H]2[C@@H]3CCC(O)C3CC[C@@H]2c2ccc(O)cc12
Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccc(F)cc1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
Oc1ccc2[C@H]([C@H](CCc2c1)c1ccc(F)cc1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2[C@H]([C@H](CCc2c1)C1CCOCC1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2[C@@H]([C@@H](CCc2c1)C1CCC(F)(F)CC1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2[C@@H]([C@@H](CCc2c1)C1CCOCC1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2[C@H]([C@H](CCc2c1)C1CCC(F)(F)CC1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCC(CF)C2)cc1 |r|
Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CCl)C2)cc1 |r|
Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CCl)C2)cc1 |r|
Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCC(CF)C2)cc1 |r|
CS(=O)(=O)c1ccc(cc1)[C@@H]1CCc2cc(O)ccc2[C@@H]1c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(C2)C(F)F)cc1 |r|
CS(=O)(=O)c1ccc(cc1)[C@H]1CCc2cc(O)ccc2[C@H]1c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(C2)C(F)F)cc1 |r|
Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CF)C2)cc1F |r|
Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CF)C2)cc1F |r|
Oc1ccc2[C@H](c3ccc(OCCN4CC(CF)C4)cc3)C3(CCCC3)CCc2c1 |r|
Oc1ccc2[C@@H](c3ccc(OCCN4CC(CF)C4)cc3)C3(CCCC3)CCc2c1 |r|
C[C@@H](COc1ccc(cc1)[C@H]1[C@H](CCc2cc(O)ccc12)c1ccccc1)N1CC[C@@H](CF)C1 |r|
C[C@@H](COc1ccc(cc1)[C@@H]1[C@@H](CCc2cc(O)ccc12)c1ccccc1)N1CC[C@@H](CF)C1 |r|
C[C@H](CN1CC[C@@H](CF)C1)Oc1ccc(cc1)[C@H]1[C@H](CCc2cc(O)ccc12)c1ccccc1 |r|
C[C@H](CN1CC[C@@H](CF)C1)Oc1ccc(cc1)[C@@H]1[C@@H](CCc2cc(O)ccc12)c1ccccc1 |r|
Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CF)C2)nc1 |r|
Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CF)C2)nc1 |r|
Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(OC2CN(CCCF)C2)cc1 |r|
Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OC2CN(CCCF)C2)cc1 |r|
Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(NC2CN(CCCF)C2)cc1 |r|
Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(NC2CN(CCCF)C2)cc1 |r|
Oc1ccc2[C@H]([C@H](CCc2c1)c1ccc(cc1)C#N)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccc(cc1)C#N)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1cccc2CC[C@@H]([C@H](c3ccc(OCCN4CC(CF)C4)cc3)c12)c1ccccc1 |r|
Oc1cccc2CC[C@H]([C@@H](c3ccc(OCCN4CC(CF)C4)cc3)c12)c1ccccc1 |r|
Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(NCCN2CC(CF)C2)cc1 |r|
Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(NCCN2CC(CF)C2)cc1 |r|
Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(NCCN2CC[C@@H](CF)C2)cc1 |r|
Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(NCCN2CC[C@@H](CF)C2)cc1 |r|
CC12CC[C@H]3C(CCc4cc(O)ccc34)[C@@H]1CCC2O |r|
[H][C@@]12CC=C([C@@H](C)CCO)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,t:3|
CCCOC(=O)C1=CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C |r,t:6|
[H][C@@]12CC=C([C@@H](C)CC)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,t:3|
[H][C@@]12CCC3(OC(C)C[C@@H]3C)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
CC1=CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C |r,t:1|
OC[C@H]1C=CC[C@H](C=C1)c1ccc(O)cc1 |r,c:3,7|
Oc1ccc2c3C(Oc4cc(ccc4-c3cnc2c1)C(F)(F)F)c1ccc(OCCN2CC(CF)C2)cc1
Oc1ccc2c3[C@H](Oc4cc(ccc4-c3cnc2c1)C(F)(F)F)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2c3[C@@H](Oc4cc(ccc4-c3cnc2c1)C(F)(F)F)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2c3C(Oc4c(cccc4C(F)(F)F)-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1
Oc1ccc2c3[C@H](Oc4c(cccc4C(F)(F)F)-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2c3[C@@H](Oc4c(cccc4C(F)(F)F)-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2c3C(Oc4cc(Cl)ccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1
Oc1ccc2c3[C@@H](Oc4cc(Cl)ccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2c3C(Oc4c(Cl)cccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1
Oc1ccc2c3[C@H](Oc4c(Cl)cccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2c3[C@@H](Oc4c(Cl)cccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2c3C(Oc4cc(F)ccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1
Oc1ccc2c3[C@H](Oc4cc(F)ccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2c3[C@@H](Oc4cc(F)ccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2c3C(Oc4c(F)cccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1
Oc1ccc2c3[C@H](Oc4c(F)cccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2c3[C@@H](Oc4c(F)cccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Cc1ccc-2c(OC(c3ccc(OCCN4CC(CF)C4)cc3)c3c-2cnc2cc(O)ccc32)c1
Cc1cccc-2c1OC(c1ccc(OCCN3CC(CF)C3)cc1)c1c-2cnc2cc(O)ccc12
Cc1cccc-2c1O[C@@H](c1ccc(OCCN3CC(CF)C3)cc1)c1c-2cnc2cc(O)ccc12 |r|
Cc1cccc-2c1O[C@H](c1ccc(OCCN3CC(CF)C3)cc1)c1c-2cnc2cc(O)ccc12 |r|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccc(N)cc2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2ccc(N)cc2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2ccc(N)cc2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2cccc(N)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2cccc(N)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2ccc(N)c(Cl)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2ccc(Cl)c(N)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2ccc(Cl)c(N)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2cccc(N)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(N)cc2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(Cl)c(N)c2)cc1 |r,c:15,t:11|
COc1cc(Cc2ccc(cc2)[C@@H]2O[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@@]3(O2)C(=O)CO)ccc1N |r,c:26,t:22|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(NCc2ccc(N)cc2)nc1 |r,c:14,t:10|
C[C@@H](c1ccc(N)cc1)c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |r,c:30,t:26|
C[C@@H](Nc1ccc(cn1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1ccc(N)cc1 |r,c:22,t:18|
C[C@H](Nc1ccc(cn1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1ccc(N)cc1 |r,c:22,t:18|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(NC2(CC2)c2ccc(N)cc2)nc1 |r,c:14,t:10|
C[C@H](c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1cccc(N)c1 |r,c:22,t:18|
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@@H](O4)c5ccc(cc5)Cc6cccc(c6)N)C(=O)CO)CCC7=CC(=O)C=C[C@]37C)O
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)cc1 |r,c:14,t:10|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)SCF)c1ccc(Cc2cccc(N)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(O)=O)c1ccc(Cc2cccc(N)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)c(O)c1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(O)c(N)c2)cc1 |r,c:13,t:9|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)c(O)c1 |r,c:13,t:9|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2cccc(N)c2)cc1 |r,c:14,t:10|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccc(N)cc2)c(O)c1 |r,c:15,t:11|
C[C@@H](c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1cccc(N)c1 |r,c:22,t:18|
C[C@H](c1ccc(N)cc1)c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |r,c:30,t:26|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2cccc(N)c2)cc1 |r,c:13,t:9|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(O)c(N)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2cccc(N)c2)cc1 |r,c:14,t:10|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2cccc(N)c2)cc1 |r,c:13,t:9|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2ccc(Cl)c(N)c2)cc1 |r,c:13,t:9|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2ccc(Cl)c(N)c2)cc1 |r,c:14,t:10|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(cc1)S(=O)(=O)c1ccc(N)cc1 |r,c:13,t:9|
C[C@]1(O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1ccc(Sc2ccc(N)cc2)cc1 |r,c:13,t:9|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(N)cc2)c(O)c1 |r,c:15,t:11|
C[C@]1(O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1ccc(Sc2ccc(N)cc2)cc1 |r,c:14,t:10|
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC2)cc1)c1ccccc1
CN1CCCC1CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
CN1CCCC1COc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
CN1CCCC1COc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
CC(C)N1CCN(CC1)c2ccc(cc2)C(=C(CCCO)c3ccccc3)c4ccc(cc4)O
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
CC(C)N1CCN(CC1)c2ccc(cc2)/C(=C(/CCCO)\c3ccccc3)/c4cccc(c4)O
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
OCCC\C(=C(/c1ccc(Br)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1
Cc1ccc(cc1)C(=C(/CCCO)c1ccccc1)\c1ccc(cc1)N1CCNCC1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1
CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
c1ccc(cc1)/C(=C(\c2ccc(cc2)C3CCN(CC3)C4CC4)/c5ccc(cc5)O)/CCCO
CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(O)c1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCCCC1)c1ccccc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCC1)c1ccccc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CCN(C1)C1CC1)c1ccccc1
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(NCS(C)(=O)=O)cc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3C2)cc1)c1ccccc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCC3(CCCC3)C2)cc1)c1ccccc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCC[C@@H]2CO)cc1)c1ccccc1 |r|
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CC3CC3[C@H]2CO)cc1)c1ccccc1 |r|
CCNCCc1ccc(Oc2c(sc3cc(O)ccc23)C(=O)c2c(C)cc(F)cc2C)cc1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(cc1)N1CCCCC1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(cc1)N1CCCCCC1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(cc1)C1CCCNC1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(CCN)cc1
CC(C)NCCc1ccc(Oc2c(sc3cc(O)ccc23)C(=O)c2c(C)cc(F)cc2C)cc1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCCC2)cc1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCC2)cc1
CCC(CC)NCCc1ccc(Oc2c(sc3cc(O)ccc23)C(=O)c2c(C)cc(F)cc2C)cc1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(CCNC2CCCCC2)cc1
CCC(C)NCCc1ccc(Oc2c(sc3cc(O)ccc23)C(=O)c2c(C)cc(F)cc2C)cc1
CCN(CC)CCc1ccc(Oc2c(sc3cc(O)ccc23)C(=O)c2c(C)cc(F)cc2C)cc1
CNCc1ccc(Oc2c(sc3cc(O)ccc23)C(=O)c2c(C)cc(F)cc2C)cc1
CN(C)Cc1ccc(Oc2c(sc3cc(O)ccc23)C(=O)c2c(C)cc(F)cc2C)cc1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(CN)cc1
CNCCCc1ccc(Oc2c(sc3cc(O)ccc23)C(=O)c2c(C)cc(F)cc2C)cc1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(CCN2CC(CF)C2)cc1
C[C@H]1CCN(CCc2ccc(Oc3c(sc4cc(O)ccc34)C(=O)c3c(C)cc(F)cc3C)cc2)C1 |r|
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1-c1ccc(CCN2CC(CF)C2)cc1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1-c1ccc(OCCN2CC(CF)C2)cc1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCC(CF)C2)cc1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCC(CF)CC2)cc1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc([Na]O)ccc2c1-c1ccc(OCCN2CC(C2)C(=O)O[Na])cc1
CCNCCc1ccc(cc1)CN(CC)c2cc(ccc2[C@@H]3CCc4cc(ccc4C3)O)OC
Oc1ccc2c3[C@H](Oc4cc(Cl)ccc4-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Oc1ccc2c(C(=O)c3ccc(OCCN4CC(CF)C4)cc3)c(cnc2c1)-c1cccc(c1F)C(F)(F)F
CN1CCC[C@H]1COc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 |r|
CN1CCC[C@H]1COc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1 |r|
CN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
CN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
CN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CCNCC1)c1ccccc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CCN(CC1)C1CCCCC1)c1ccccc1
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(NS(C)(=O)=O)cc1
OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2C[C@H]3C[C@H]3[C@H]2CO)cc1)c1ccccc1 |r|
CC12CCC3C(C1CCC2O)C(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31
CCCN1CC(C1)Oc2ccc(cc2)[C@@H]3c4c(c5ccccc5[nH]4)C[C@H](N3CC(C)(C)F)C
CCCN1CC(C1)Oc1cc(F)c([C@H]2N(CC(C)(C)F)[C@H](C)Cc3c2[nH]c2ccccc32)c(F)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(OCCN2CC(CF)C2)cc1 |r|
C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)OCCN5CC(C5)CF)F
CC\C(=C(\c1ccc(OCCCCCC(=O)N2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCCCCC(=O)N2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1F |r|
CC\C(=C(\c1ccc(OCCCCCCN2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1F
CC\C(=C(\c1ccc(OCCCOCC(=O)N2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1F
CC\C(=C(\c1ccc(OCCCOCCN2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1F
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCN(CC3)C(=O)CCCCCOc3cc(F)c(C4N(CC(C)(C)F)[C@H](C)Cc5c4[nH]c4ccccc54)c(F)c3)cc12 |r|
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCN(CCCCCCOc4cc(F)c(C5N(CC(C)(C)F)[C@H](C)Cc6c5[nH]c5ccccc65)c(F)c4)CC3)cc12 |r|
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OC(=O)N5CCN(CCCCCCOc6cc(F)c([C@H]7N(CC(C)(C)F)[C@H](C)Cc8c7[nH]c7ccccc87)c(F)c6)CC5)c(CN(C)C)c4cc3Cn1c2=O |r|
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1c(F)cc(OCCOS(=O)(=O)c2ccc(C)cc2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1c(F)cc(OCCN2CCCC2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1c(F)cc(OCCN2CCCCC2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1c(F)cc(OCCN2CCCCCC2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CCCC2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CCCCC2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CCCCCC2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(Cl)cc(OCCN2CC(CF)C2)cc1Cl |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1c(Cl)cc(OCCN2CC(CF)C2)cc1Cl |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1Cl |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1c(F)cc(OCCN2CC(CF)C2)cc1Cl |r|
CC1Cc2c([nH]c3ccc(F)cc23)C(N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F
CC1Cc2c([nH]c3ccc(F)cc23)C(N1CC(C)(C)F)c1c(Cl)cc(OCCN2CC(CF)C2)cc1Cl
COc1ccc2c3CC(C)N(CC(C)(C)F)C(c3[nH]c2c1)c1c(F)cc(OCCN2CC(CF)C2)cc1F
CC(C)(F)CN1C(Cc2c([nH]c3ccccc23)C1c1c(F)cc(OCCN2CC(CF)C2)cc1F)C(F)(F)F
CC1Cc2c(oc3ccccc23)C(N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F
CC1Cc2c(oc3ccccc23)C(N1CC(C)(C)F)c1c(Cl)cc(OCCN2CC(CF)C2)cc1Cl
CC1Cc2c([nH]c3ncccc23)C(N1CC(C)(F)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1Cl |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(Cl)cc(\C=C\C(O)=O)cc1Cl |r|
COc1ccc2c3CC(C)N(CC(C)(C)F)C(c3[nH]c2c1)c1c(F)cc(\C=C\C(O)=O)cc1F
CC1Cc2c([nH]c3cc(O)ccc23)C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1c(Cl)cc(\C=C\C(O)=O)cc1Cl |r|
CC1Cc2c([nH]c3ccc(F)cc23)C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1Cl
CC1Cc2c([nH]c3ccc(F)cc23)C(N1CC(C)(C)F)c1c(Cl)cc(\C=C\C(O)=O)cc1Cl
CC1Cc2c([nH]c3ccc(F)cc23)C(N1CC(C)(F)F)c1c(Cl)cc(\C=C\C(O)=O)cc1Cl
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(C)CC1)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
CC(C)(F)CN1C(Cc2c([nH]c3ccccc23)C1c1c(F)cc(\C=C\C(O)=O)cc1F)C(F)(F)F
CC1Cc2c([nH]c3ncccc23)C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
CC1Cc2c([nH]c3ccc(F)cc23)C(N1CC(C)(F)F)c1c(F)cc(\C=C\C(O)=O)cc1F
CC1Cc2c([nH]c3cc(F)ccc23)C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
CC1Cc2c([nH]c3cc(F)ccc23)C(N1CC(C)(F)F)c1c(F)cc(\C=C\C(O)=O)cc1F
COc1ccc2[nH]c3C(N(CC(C)(C)F)C(C)Cc3c2c1)c1c(F)cc(\C=C\C(O)=O)cc1F
CC(C)CN1C(C)Cc2c([nH]c3ccc(F)cc23)C1c1c(F)cc(\C=C\C(O)=O)cc1F
CCC1Cc2c([nH]c3ccccc23)C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(C)cc(\C=C\C(O)=O)cc1F |r|
CC1Cc2c([nH]c3ccc(Cl)cc23)C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
CC1Cc2c([nH]c3cc(Cl)ccc23)C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
CC1Cc2c(oc3ccccc23)C(N1CC(C)(F)F)c1c(F)cc(\C=C\C(O)=O)cc1F
CC1Cc2c(oc3ccccc23)C(N1CC(C)(C)F)c1c(Cl)cc(\C=C\C(O)=O)cc1Cl
CC1Cc2c([nH]c3ccc(F)cc23)C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
CC1Cc2c(oc3ccccc23)C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
CC1Cc2c(sc3ccccc23)C(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(F)F)c1c(F)cc(\C=C\C(O)=O)cc1Cl |r|
Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\OC=O)cc1
Cc1cc(F)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\OC=O)cc1
Cc1ccc(C(=O)c2sc3cc(O)ccc3c2Oc2ccc(\C=C\OC=O)cc2)c(C)c1
Cc1cccc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\OC=O)cc1
Cc1cc(Cl)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\OC=O)cc1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\OC=O)cc1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OC2CN(CCCF)C2)cc1F |r|
CC(C)C(=O)N1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CC(C2)C(F)F)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OC2CN(CCCCl)C2)cc1F |r|
C[C@@H](COc1cc(F)c([C@H]2N(CC(C)(C)F)[C@H](C)Cc3c2[nH]c2ccccc32)c(F)c1)N1CC[C@@H](CF)C1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CC[C@@H](CF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(OCCN2CC(CF)C2)nc1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ncc(OCCN2CC(CF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC1CCC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(C)COC1)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC1COC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C1COC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CO)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F
CC(=O)N1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C(C)(C)O
C[C@@H](CO)CN1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C1CC(O)C1
CC(C)C(=O)N1C(c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2[nH]c3ccccc3c2CC1(C)C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1S(C)(=O)=O)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)O
CC(C)(F)CN1[C@@H](CO)Cc2c([nH]c3ccccc23)[C@@H]1c1c(F)cc(OCCN2CC(CF)C2)cc1F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CNC3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C1CCC1
CC(C)(F)CN1[C@H](CF)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(OCCN2CC(CF)C2)cc1F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)COC1)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C1CCCCC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C(C)(C)C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C1CC1
CC1CN(CCOc2cc(F)c([C@H]3N(CC(C)(C)F)[C@H](C)Cc4c3[nH]c3ccccc43)c(F)c2)C1 |r|
C[C@@H]1CCN(CCOc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)C1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC[C@H](C)N3CCCC3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCCN3CC(CF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(/C=C/CN3CC(CF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC1CC(F)(F)C1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C1CCC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C1CCCC1
C[C@H]1CCN(CCOc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)C1
C[C@H](COc1cc(F)c([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C)N2CC(C)(C)F)c(F)c1)N1CCCC1
CCCN1CC(COc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)C1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC1(F)CCC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1C[C@](C)(F)CO)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1C[C@@](C)(F)CO)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)CC1CC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)CC1CCC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C(C)(F)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(C)(CF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(C)C3)cc2F)N1CC(C)(C)F
CCN1CC(Oc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)C1
CCCCCN1CC(Oc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)C1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CC4CC4)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CC4CCCC4)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OC2CN(CCF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OC2CN(CC#C)C2)cc1F |r|
CC(C)N1CC(Oc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)C1
CC(C)CN1CC(Oc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)C1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(C(=O)OC(C)(C)C)C3)cc2F)N1CC(C)(C)F
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F
CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC1(C)CCC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(F)(F)F
COC(CCN1CC(Oc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)C1)OC
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC3CN(CCCF)C3)cc2F)N1CC(C)(C)F
CC(C)(F)CN1CCc2c([nH]c3ccccc23)C1c1c(F)cc(OCCN2CC(CF)C2)cc1F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OCCN3CC(CF)C3)cc2)N1S(C)(=O)=O
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1S(C)(=O)=O)c1ccc(OCCN2CC(CF)C2)cc1 |r|
CC(CO)C(=O)N1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C1CNC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C1CC1F
C[C@@H]1CCN([C@@H](C)COc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)C1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)c1ccccc1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC1CC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCC4CC4)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OC2CN(CC=C)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CC4CCC4)C3)cc2F)N1CC(C)(C)F
CC(C)CCN1CC(Oc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)C1
CCC(C)CN1CC(Oc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)C1
CCCC(C)N1CC(Oc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)(C)F)c(F)c2)C1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(C4CCC4)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(C4COC4)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(C4CC4)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(SC3CN(CCCF)C3)cc2F)N1CC(C)(C)F
CC(C)CN1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C[C@H](C)c1ccccc1
C[C@H](CN1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C)c1ccccc1
CCCN1CC(Oc2cc(F)c([C@@H]3c4[nH]c5ccccc5c4C[C@@H](C)N3CC(C)C)c(F)c2)C1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC3CN(CCCF)C3)cc2)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1S(C)(=O)=O
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C1CC(F)C1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC[C@H](C)N3CC(C(F)F)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CC(F)(CF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)CCC#N
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC1CCCCC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCC4COC4)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CC4CCCCC4)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cc2Cl)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC3CN(CCCF)C3)cc2Cl)N1CC(C)(C)F
CC(O)CC(=O)N1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C1COC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C1CSC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)[C@@H](C)CF
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC1CCCC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CC4CCC(F)(F)CC4)C3)cc2F)N1CC(C)(C)F
C[C@H](CF)C(=O)N1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)C1CCO1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cc2)N1C(=O)C(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1C(=O)C(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C(=O)CN(C)C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CC4(F)CC4)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1C(=O)C1(F)CCC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1C(=O)C1(C)CC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC1(CF)CC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC1(CO)CC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OCCN3CC(CF)C3)cc2F)N1C(=O)C(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cc2F)N1C(=O)C(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OCCN3CC(CF)C3)cc2F)N1S(C)(=O)=O
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1S(C)(=O)=O)c1ccc(OCCN2CC(CF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1C[C@](C)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1C[C@@](C)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OCCN3CC(CF)C3)cc2)N1C(=O)C(C)(C)F
CC(C)(F)CN1CCc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(OCCN2CC(CF)C2)cc1F
CC(C)(F)CN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(F)cc(OCCN2CC(CF)C2)cc1F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1C(=O)C1(F)CC1
C[C@@H]1Cc2c([nH]c3ccc(Cl)cc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3cc(F)ccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC1(CO)CC1
C[C@H]1Cc2c([nH]c3ccc(Cl)cc23)[C@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(C)(C)F
C[C@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC1(C)COC1
C[C@@H]1Cc2c([nH]c3cccc(F)c23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3cc(F)ccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3cccc(F)c23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCN3CC[C@@H](CF)C3)cc2)N1CC(C)(C)F
C[C@H]1Cc2c([nH]c3cccc(F)c23)[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F
C[C@H]1Cc2c([nH]c3cc(F)ccc23)[C@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(C)(C)F
C[C@H]1Cc2c([nH]c3cccc(F)c23)[C@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(=O)N(C)C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(F)CO
Cc1cc(OC2CN(CCCF)C2)ccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(C)(C)F
CC(C)(F)CN1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2[nH]c3ccccc3c2CC1(C)C
CC(C)(F)CN1[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2[nH]c3ccccc3c2CC1(C)C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CC4CC(F)(F)C4)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3c(F)cccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3c(F)cccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(C)(C)F
C[C@H]1Cc2c([nH]c3c(F)cccc23)[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F
C[C@H](O)CN1[C@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1C[C@@H](C)O
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CCl)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC3CN(CCCF)C3)c(Cl)c2)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC3CN(CCCF)C3)c(F)c2)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C[C@@H](O)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(C[C@@H]4C[C@H]4F)C3)cc2F)N1CC(C)(C)F
C[C@H](CF)CN1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C[C@](C)(O)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(C)(C)CF
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cc2F)N1C[C@@](C)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cc2F)N1C[C@](C)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cc2)N1C[C@@](C)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cc2)N1C[C@](C)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(F)(F)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C[C@@](C)(O)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCN3CC(CF)C3)c(F)c2)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OCCN3CC(CF)C3)c(F)c2)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCN3CC(CF)C3)c(F)c2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(C[C@@H]4C[C@@H]4F)C3)cc2F)N1CC(C)(C)F
CC(=O)CN1[C@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(C)(C)CO
CCS(=O)(=O)N1[C@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1C[C@@](C)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1C[C@](C)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cc2F)N1C[C@@](C)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cc2F)N1C[C@](C)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cc2)N1C[C@@](C)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cc2)N1C[C@](C)(F)CO
CC(=O)CN1[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NCCN3CC(CF)C3)cc2F)N1CC(F)(F)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C[C@H](C)C(=O)N(C)C
C[C@H](CN1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C)C(=O)N(C)C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C[C@H](C)C(=O)O
C[C@H](CN1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C)C(=O)O
CC(C)(F)CN1[C@H](CF)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(OC2CN(CCCF)C2)cc1F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(OC2CN(CCCF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(F)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(F)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(C4CC(F)(F)C4)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(C/C=C/F)C3)cc2F)N1CC(C)(C)F
CC(CN1[C@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C)S(C)(=O)=O
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cc2)N1S(C)(=O)=O
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1S(C)(=O)=O
C=CS(=O)(=O)N1[C@H](c2ccc(OCCN3CC(CF)C3)cc2)c2[nH]c3ccccc3c2C[C@H]1C
CNS(=O)(=O)N1[C@H](c2ccc(OCCN3CC(CF)C3)cc2)c2[nH]c3ccccc3c2C[C@H]1C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(NC3CN(CCCF)C3)cc2)N1S(C)(=O)=O
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1S(C)(=O)=O
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(C)(C)C#N
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CC=C(F)F)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C[C@@H](CO)C(F)(F)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C[C@H](CO)C(F)(F)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NCCN3CC(CF)C3)cc2F)N1CC(C)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NCCN3CC(CF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(NCCN3CC(CF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(NCCN3CC(CF)C3)cc2)N1CC(C)(C)F
CCS(=O)(=O)N1[C@H](c2ccc(OCCN3CC(CF)C3)cc2)c2[nH]c3ccccc3c2C[C@H]1C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(NCCN3CC(CF)C3)cc2)N1S(C)(=O)=O
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NCCN3CC(CF)C3)cc2F)N1S(C)(=O)=O
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(NCCN3CC(CF)C3)cc2F)N1CC(C)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(NCCN3CC(CF)C3)cc2)N1CC(C)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OCCN3CC(CF)C3)cc2)N1S(=O)(=O)N(C)C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC3CN(CCCF)C3)cc2)N1S(C)(=O)=O
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN([C@H]4C[C@H](O)C4)C3)cc2F)N1CC(C)(C)F
CC(C)[S@](=O)N1[C@H](c2ccc(OCCN3CC(CF)C3)cc2)c2[nH]c3ccccc3c2C[C@H]1C
CC(C)[S@@](=O)N1[C@H](c2ccc(OCCN3CC(CF)C3)cc2)c2[nH]c3ccccc3c2C[C@H]1C
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN([C@H]4C[C@@H](O)C4)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCCCF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(F)c(OC3CN(CCCF)C3)c(F)c2)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OC2CN(CCCCF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(F)c(OC3CN(CCCCCF)C3)c(F)c2)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(F)c(OC3CN(CCCF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(CO)(F)F)c4c(cc(cc4F)NC5CN(C5)CCCF)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC3CN(CCCF)C3)cc2C#N)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(OC3CN(CCCF)C3)cn2)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3(C)CN(CCCF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC3CN(CCCF)C3)cc2C#N)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccn(CCCN3CC(CF)C3)c(=O)c2)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C(=O)C3CN(CCCF)C3)cc2)N1CC(C)(C)F
C[C@H](CN1[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C)C(N)=O
C[C@H](CN1[C@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C)C(=O)O
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1C[C@H](C)C(=O)O
CC(CN1[C@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C)C(=O)O
CC(CN1C(C)Cc2c([nH]c3ccccc23)C1c1c(F)cc(OC2CN(CCCF)C2)cc1F)C(=O)O
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NCCN3CC(CF)C3)cc2F)N1C[C@@](C)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NCCN3CC(CF)C3)cc2F)N1C[C@](C)(F)CO
C[C@H](CN1[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)c2[nH]c3ccccc3c2C[C@H]1C)C(=O)O
C[C@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(F)(F)F
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(F)(F)F
C[C@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(F)(F)F
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(F)(F)F
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(F)(F)CO
C[C@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(F)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CCC(F)(F)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CCC(F)(F)F
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO
C[C@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r|
C[C@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1C[C@H](C)C(=O)O
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1C[C@](C)(F)CO
C[C@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1C[C@@](C)(F)CO
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1C[C@@](C)(F)CO
C[C@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1C[C@](C)(F)CO
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)F
C[C@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)C(=O)O
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1C[C@H](CO)C(F)(F)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1C[C@@H](CO)C(F)(F)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(OC3CN(CCCF)C3)nc2)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)C(=O)O
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(F)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc([C@@H](O)C3CN(CCCF)C3)cc2)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc([C@H](O)C3CN(CCCF)C3)cc2)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(C)(C)C(=O)O
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(F)F
C[C@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(F)F
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(F)F
C[C@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(F)F
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1S(C)(=O)=O
C[C@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1S(C)(=O)=O
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)F
C[C@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(C4CC(CF)C4)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(C4CC(CF)C4)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC1(F)CCC1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C[C@H](F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C[C@@H](F)CO
C[C@@H]1Cc2c([nH]c3cc(F)ccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)F
C[C@H]1Cc2c([nH]c3cc(F)ccc23)[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)F
C[C@@H]1Cc2c([nH]c3cccc(F)c23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1C[C@](C)(F)CO
C[C@H]1Cc2c([nH]c3cccc(F)c23)[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1C[C@@](C)(F)CO
C[C@@H]1Cc2c([nH]c3cccc(F)c23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1C[C@@](C)(F)CO
C[C@H]1Cc2c([nH]c3cccc(F)c23)[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1C[C@](C)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C[C@H](CO)CF
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1C[C@@H](CO)CF
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N(C)C3CN(CCCF)C3)cc2F)N1CC(C)(C)F
CC1(C)Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)F
CC1(C)Cc2c([nH]c3ccccc23)[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)F
C[C@@H]1Cc2c([nH]c3cccc(F)c23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)F
C[C@H]1Cc2c([nH]c3cccc(F)c23)[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)F
C[C@H]1Cc2c([nH]c3c(F)cccc23)[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)F
C[C@@H]1Cc2c([nH]c3c(F)cccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC1(F)COC1
C[C@H]1Cc2c([nH]c3cc(F)ccc23)[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1C[C@](C)(F)CO
C[C@@H]1Cc2c([nH]c3cc(F)ccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1C[C@@](C)(F)CO
C[C@@H]1Cc2c([nH]c3cc(F)ccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1C[C@](C)(F)CO
C[C@H]1Cc2c([nH]c3cc(F)ccc23)[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1C[C@@](C)(F)CO
C[C@@H]1Cc2c([nH]c3cccc(F)c23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r|
C[C@H]1Cc2c([nH]c3cccc(F)c23)[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1C[C@@](F)(C#N)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1C[C@](F)(C#N)CO
CC1(C)Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO
CC1(C)Cc2c([nH]c3ccccc23)[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO
C[C@H]1Cc2c([nH]c3c(F)cccc23)[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO
C[C@@H]1Cc2c([nH]c3c(F)cccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3c(F)cc(F)cc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3cc(F)ccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r|
C[C@H]1Cc2c([nH]c3cc(F)ccc23)[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OC2CN(CC3(CF)CC3)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3cc(F)c(F)cc23)[C@@H](c2c(F)cc(OC3CN(CCCF)C3)cc2F)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnn(CC3CN(CCCF)C3)c2)N1CC(C)(C)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)F
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1C[C@@](C)(F)CO
C[C@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1C[C@](C)(F)CO
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1C[C@](C)(F)CO
C[C@H]1Cc2c([nH]c3ccc(F)cc23)C(c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1C[C@@](C)(F)CO
Cc1cccc(C(F)(F)F)c1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
O=C(O)c1ccc2c(c1)CCCC(c1ccc(F)c(F)c1C(F)(F)F)=C2c1ccc(C=C2CN(CCCF)C2)cc1
COc1c(C)cccc1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
COc1cccc(C)c1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
CCc1c(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)cccc1C(F)(F)F
COc1cccc(C(F)(F)F)c1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
COc1c(F)ccc(C)c1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
CCc1cccc(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c1C(F)(F)F
O=C(O)c1ccc2c(c1)CCCC(c1c(F)cccc1OC(F)(F)F)=C2c1ccc(C=C2CN(CCCF)C2)cc1
Cc1cc(C)c(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c(C)c1
Cc1cc(C)c(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c(Cl)c1
Cc1ccc(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c(C)c1F
Cc1ccc(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c(C)c1Cl
COc1cc(C)cc(C)c1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
CC(F)(F)c1cc(F)ccc1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
O=C(O)c1ccc2c(c1)CCCC(c1c(Cl)cccc1C(F)(F)F)=C2c1ccc(C=C2CN(CCCF)C2)cc1
O=C(O)c1ccc2c(c1)CCCC(c1c(Cl)cccc1OC(F)(F)F)=C2c1ccc(C=C2CN(CCCF)C2)cc1
COc1cc(C)c(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c(C)c1
CCc1ccc(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c(C(F)(F)F)c1
O=C(O)c1ccc2c(c1)CCCC(c1c(F)cccc1C(F)(F)F)=C2c1ccc(C=C2CN(CCCF)C2)cc1
Cc1cccc(Cl)c1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
COc1cccc(F)c1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
COc1cccc(Cl)c1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
Cc1c(OC(F)(F)F)cccc1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
CCc1cc(C(F)(F)F)ccc1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
Cc1cccc(F)c1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
Cc1cc(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c(C)cc1F
Cc1cc(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)ccc1C(F)F
COc1cc(C(F)F)ccc1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
Cc1cccc(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c1C(F)F
COc1cc(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)ccc1C(F)F
O=C(O)c1ccc2c(c1)CCCC(c1ccccc1CF)=C2c1ccc(C=C2CN(CCCF)C2)cc1
O=C(O)c1ccc2c(c1)CCCC(c1cccc(F)c1OC(F)F)=C2c1ccc(C=C2CN(CCCF)C2)cc1
O=C(O)c1ccc2c(c1)CCCC(c1cccc(Cl)c1OC(F)(F)F)=C2c1ccc(C=C2CN(CCCF)C2)cc1
O=C(O)c1ccc2c(c1)CCCC(C1CC13CCC3)=C2c1ccc(C=C2CN(CCCF)C2)cc1
O=C(O)c1ccc2c(c1)CCCC(C1CC13CCC3)=C2c1ccc(C=C2CN(CCCF)C2)cc1
COc1ccc(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c(C(F)F)c1
O=C(O)c1ccc2c(c1)CCCC(c1cccc(F)c1CF)=C2c1ccc(C=C2CN(CCCF)C2)cc1
CCc1c(F)cccc1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
COc1c(F)cccc1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
COc1cccc(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c1C
Cc1c(Cl)cccc1C1=C(c2ccc(C=C3CN(CCC(F)F)C3)cc2)c2ccc(O)cc2CCC1
Cc1ccc(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c(C(F)F)c1
Cc1cc(C(F)F)ccc1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
COc1ccc(C(F)F)c(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c1
CCc1c(Cl)cccc1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
COc1ccc(C(F)(F)F)c(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c1
O=C(O)c1ccc2c(c1)CCCC(c1ccc(C(F)(F)F)cc1C1CC1)=C2c1ccc(C=C2CN(CCCF)C2)cc1
COc1c(Cl)cccc1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
COc1cc(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)ccc1C(F)(F)F
O=C(O)c1ccc2c(c1)CCCC(c1ccc(C(F)F)cc1C(F)(F)F)=C2c1ccc(C=C2CN(CCCF)C2)cc1
COc1cccc(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c1C(F)(F)F
Cc1cc(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)ccc1C(F)(F)F
O=C(O)c1ccc2c(c1)CCCC(c1ccc(C(F)F)cc1OC(F)(F)F)=C2c1ccc(C=C2CN(CCCF)C2)cc1
O=C(O)c1ccc2c(c1)CCCC(c1ccc(C(F)F)cc1)=C2c1ccc(C=C2CN(CCCF)C2)cc1
C[C@H]1CC[C@H](C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)CC1
Cc1ccc(C(F)F)c(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c1
O=C(O)c1ccc2c(c1)CCCC(c1ccccc1C(F)F)=C2c1ccc(C=C2CN(CCCF)C2)cc1
COc1cc(C(F)(F)F)ccc1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
COc1cccc(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c1C(F)F
C[C@H]1CC[C@@H](C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)CC1
COc1ccc(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c(C(F)(F)F)c1
COc1c(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)cccc1C(F)(F)F
O=C(O)c1ccc2c(c1)CCCC(c1cccc3c1CCCO3)=C2c1ccc(C=C2CN(CCCF)C2)cc1
CC1(C)CCC(C2=C(c3ncc(C=C4CN(CCCF)C4)cc3F)c3ccc(C(=O)O)cc3CCC2)CC1
CC1(C)CCC(C2=C(c3ncc(C=C4CN(CCC(F)F)C4)cc3F)c3ccc(C(=O)O)cc3CCC2)CC1
O=C(O)c1ccc2c(c1)CCCC(c1cccc3c1OCCC3)=C2c1ccc(C=C2CN(CCCF)C2)cc1
CC1(C)CCC(C2CCCc3cc(C(=O)O)ccc3C2c2ccc(C=C3CN(CCCF)C3)cc2)CC1
O=C(O)c1ccc2c(c1)CCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(C=C2CN(CC(F)CF)C2)cc1
O=C(O)c1ccc2c(c1)CCCC(c1ccc(Cl)cc1Cl)=C2c1ccc(C=C2CN(CC(F)CF)C2)cc1
COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
Cc1cc(C)c(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c(C(F)(F)F)c1
Cc1cc(C(F)(F)F)ccc1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
CCc1cccc(CC)c1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
Cc1ccc(F)c(C)c1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
Cc1cc(C)c(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c(F)c1
Cc1cccc(OC(F)(F)F)c1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
Cc1cc(C(F)(F)F)c(C)cc1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
O=C(O)c1ccc2c(c1)CCCC(c1cccc(C(F)(F)F)c1C(F)(F)F)=C2c1ccc(C=C2CN(CCCF)C2)cc1
CCc1cc(C)cc(CC)c1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
COc1cccc(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)c1OC
COc1ccc(C2=C(c3ccc(C=C4CN(CCCF)C4)cc3)c3ccc(C(=O)O)cc3CCC2)cc1OC
COc1cc(Cl)cc(C)c1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
Cc1ccc(C(F)(F)F)c(C)c1C1=C(c2ccc(C=C3CN(CCCF)C3)cc2)c2ccc(C(=O)O)cc2CCC1
CCCC(CCC)(c1ccc(O)c(C)c1)c1cc(C)c(O)c(O)c1
CCCC(CCC)(c1ccc(OCCN(C)C)c(C)c1)c1ccc(O)c(O)c1
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(O)c1
CCC(CC)(c1ccc(O)c(C)c1)c1ccc(O)c(O)c1
CCC(CC)(c1ccc(O)cc1)c1ccc(O)c(O)c1
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCCN(C)C)c(C)c1
CCCC(CCC)(c1ccc(O)cc1)c1ccc(O)c(O)c1
CC[C@H](C)[C@@H]1NC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCC(=O)NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)NCC(NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)NCC(NC(=O)C(CC(C)(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r|
OC(=O)\C=C\c1ccc(cc1)-c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(F)cc2)cc1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\c2nnn[nH]2)cc1
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]21[H]
CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
OC(=O)\C=C\c1ccc(Nc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
CN(c1c(sc2cc(O)ccc12)-c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1
OC(=O)\C=C\c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
C[C@@H]1CN([C@@H](CO1)c1ccccc1)c1ccc2OCC(=O)Nc2n1 |r|
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF |r,c:12,t:8|
CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |r,c:15,t:11|
CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14|
C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2OCCOc2c1 |r|
C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r|
C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCOC1)c1ccc2OCCOc2c1 |r|
C[C@@H]([C@@H](c1cccc(c1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F
C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc2OCCOc2c1 |r|
Cc1c(-c2ccc(O)cc2Cl)c(=O)oc2cc(O)ccc12 |(9.69,-39.37,;9.7,-40.91,;11.04,-41.68,;12.37,-40.91,;13.7,-41.68,;15.03,-40.91,;15.03,-39.37,;16.36,-38.59,;13.69,-38.6,;12.36,-39.38,;11.02,-38.62,;11.05,-43.23,;12.38,-43.99,;9.71,-44,;8.38,-43.24,;7.04,-44.01,;5.71,-43.24,;4.37,-44.01,;5.71,-41.7,;7.04,-40.93,;8.37,-41.69,)|
CCc1c(-c2ccc(O)cc2F)c(=O)oc2cc(O)ccc12 |(29.5,-2.86,;30.83,-3.62,;30.84,-5.16,;32.18,-5.93,;33.51,-5.16,;34.85,-5.92,;36.18,-5.15,;36.17,-3.61,;37.5,-2.84,;34.83,-2.85,;33.51,-3.62,;32.17,-2.86,;32.19,-7.47,;33.53,-8.24,;30.85,-8.25,;29.52,-7.48,;28.18,-8.26,;26.85,-7.49,;25.52,-8.26,;26.85,-5.95,;28.18,-5.18,;29.51,-5.94,)|
Oc1ccc(cc1)-c1c(-c2ccc(O)cc2)c(=O)oc2cc(O)ccc12
Cc1cc(O)ccc1-c1c(C)c2ccc(O)cc2oc1=O |(11.51,-27.24,;12.85,-28,;14.17,-27.22,;15.51,-27.99,;16.84,-27.21,;15.52,-29.53,;14.19,-30.3,;12.85,-29.53,;11.53,-30.3,;10.18,-29.53,;10.17,-27.99,;8.85,-30.31,;7.52,-29.55,;6.19,-30.32,;6.19,-31.86,;4.86,-32.63,;7.52,-32.63,;8.86,-31.86,;10.2,-32.62,;11.53,-31.85,;12.87,-32.61,)|
Oc1ccc2c(-c3ccc(O)c(F)c3)c(-c3ccc(O)c(F)c3)c(=O)oc2c1
Oc1ccc2c(-c3ccccc3)c3cc4ccccc4cc3nc2c1
FC(F)(F)c1ccc2cc3nc4ccccc4c(-c4ccccc4)c3cc2c1
c1ccc(cc1)-c1c2ccccc2nc2cc3ccccc3cc12
Oc1ccc2cc3nc4ccccc4c(-c4ccccc4)c3cc2c1
Oc1cccc2c(-c3ccccc3)c3cc4ccccc4cc3nc12
Clc1ccc2c(-c3ccccc3)c3cc4ccccc4cc3nc2c1
Clc1c2ccccc2cc2c(-c3ccccc3)c3ccccc3nc12
FC(F)(F)c1cccc2c(-c3ccccc3)c3cc4ccccc4cc3nc12
[H][C@@]12CC[C@H](OC(=O)[C@@H]3CCCN3C(=O)c3ccc(cc3)S(N)(=O)=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
CN1CC[C@H]([C@H](F)C1)N1C(=O)S\C(=C/c2ccc3n(Cc4ccc(Cl)cc4C(F)(F)F)ncc3c2)C1=O |r|
CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Oc1ccc2Cc3sc4cc(O)ccc4c3C(c3ccc(OCCN4CCCCC4)cc3)c2c1
Oc1ccc(cc1)-c1sc2cccc(O)c2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(Cl)cc1
Oc1ccc(cc1)-c1c(Oc2ccc(OCCN3CCCC3)cc2)c2ccc(O)cc2oc1=O
Fc1ccc(cc1)-c1c(Nc2ccc(OCCN3CCCCC3)cc2)c2ccccc2oc1=O
CCN(CC)CCOc1ccc(Oc2c(-c3ccc(OC)cc3)c(=O)oc3cc(OC)ccc23)cc1
CN(C)CCOc1ccc(Nc2c(-c3ccc(F)cc3)c(=O)oc3cc(O)ccc23)cc1
CN(C)CCOc1ccc(Oc2c(-c3ccc(O)cc3)c(=O)oc3cc(O)ccc23)cc1
CN(C)CCOc1ccc(Nc2c(-c3ccc(O)cc3)c(=O)oc3cc(O)ccc23)cc1
CCN(CC)CCOc1ccc(Nc2c(-c3ccc(F)cc3)c(=O)oc3ccccc23)cc1
COc1ccc2c(Nc3ccc(OCCN4CCCC4)cc3)c(-c3ccc(F)cc3)c(=O)oc2c1
Oc1ccc2c(Nc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(F)cc3)c(=O)oc2c1
COc1ccc(cc1)-c1c(Oc2ccc(OCCN3CCCCC3)cc2)c2ccc(OC)cc2oc1=O
COc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(F)cc3)c(=O)oc2c1
Oc1ccc2c(Oc3ccc(OCCN4CCCC4)cc3)c(-c3ccc(F)cc3)c(=O)oc2c1
Oc1ccc(cc1)-c1c(Nc2ccc(OCCN3CCCC3)cc2)c2ccc(O)cc2oc1=O
Oc1ccc(cc1)-c1c(Nc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2oc1=O
CN(C)CCOc1ccc(Nc2c(-c3ccc(F)cc3)c(=O)oc3ccccc23)cc1
Fc1ccc(cc1)-c1c(Nc2ccc(OCCN3CCCC3)cc2)c2ccccc2oc1=O
COc1ccc2c(Nc3ccc(OCCN(C)C)cc3)c(-c3ccc(F)cc3)c(=O)oc2c1
COc1ccc2c(Nc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(F)cc3)c(=O)oc2c1
CCN(CC)CCOc1ccc(Nc2c(-c3ccc(F)cc3)c(=O)oc3cc(O)ccc23)cc1
Oc1ccc2c(Nc3ccc(OCCN4CCCC4)cc3)c(-c3ccc(F)cc3)c(=O)oc2c1
COc1ccc(cc1)-c1c(Oc2ccc(OCCN(C)C)cc2)c2ccc(OC)cc2oc1=O
COc1ccc(cc1)-c1c(Oc2ccc(OCCN3CCCC3)cc2)c2ccc(OC)cc2oc1=O
COc1ccc2c(Oc3ccc(OCCN(C)C)cc3)c(-c3ccc(F)cc3)c(=O)oc2c1
COc1ccc2c(Oc3ccc(OCCN4CCCC4)cc3)c(-c3ccc(F)cc3)c(=O)oc2c1
CCN(CC)CCOc1ccc(Oc2c(-c3ccc(O)cc3)c(=O)oc3cc(O)ccc23)cc1
Oc1ccc(cc1)-c1c(Oc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2oc1=O
CN(C)CCOc1ccc(Oc2c(-c3ccc(F)cc3)c(=O)oc3cc(O)ccc23)cc1
Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(F)cc3)c(=O)oc2c1
CCN(CC)CCOc1ccc(Nc2c(-c3ccc(F)cc3)c(=O)oc3cc(OC)ccc23)cc1
COc1ccc(cc1)-c1c(Nc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2oc1=O
CCN(CC)CCOc1ccc(Oc2c(-c3ccc(F)cc3)c(=O)oc3cc(OC)ccc23)cc1
CCN(CC)CCOc1ccc(Nc2c(-c3ccc(O)cc3)c(=O)oc3cc(O)ccc23)cc1
CCN(CC)CCOc1ccc(Oc2c(-c3ccc(F)cc3)c(=O)oc3cc(O)ccc23)cc1
OC1CCC(CC1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1 |r,wU:14.14,c:8,(68.8,-8.02,;67.84,-9.22,;68.4,-10.66,;67.45,-11.86,;65.93,-11.63,;65.35,-10.2,;66.32,-9,;64.97,-12.83,;63.46,-12.5,;63.11,-11.01,;64.24,-9.95,;63.89,-8.46,;62.41,-8.01,;62.06,-6.51,;63.18,-5.46,;62.98,-3.93,;64.37,-3.27,;65.43,-4.39,;66.96,-4.2,;67.89,-5.42,;69.42,-5.23,;70.35,-6.45,;64.69,-5.74,;61.29,-9.07,;61.65,-10.57,;62.25,-13.47,;60.92,-12.71,;59.59,-13.48,;59.59,-15.03,;58.26,-15.79,;60.92,-15.8,;62.26,-15.02,;63.47,-15.98,;64.98,-15.63,;65.65,-14.23,)|
CCCCOC(=O)c1cc(OC)c(O)c(OC)c1
CCCCOC(=O)c1cc(Cl)c(O)c(Cl)c1
CCCCOC(=O)c1cc(c(c(c1)O)O)O
CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O
CCCCOC(=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
CCCCOC(=O)c1c(F)c(F)c(O)c(F)c1F
CCCCOC(=O)c1cc(Br)c(O)c(Br)c1
CCCCOC(=O)c1cc(I)c(O)c(I)c1
CCCCOC(=O)c1ccc(O)c(I)c1
CCCCOC(=O)c1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O
CCCCOC(=O)c1ccc(cc1)O
CCCCCCCCOC(=O)c1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O
CCCCCCCCOC(=O)c1cc(C)c(O)c(C)c1
CCCCCCCCOC(=O)c1cc(I)c(O)c(I)c1
CCCCOC(=O)c1cc(C)c(O)c(C)c1
CCCCOC(=O)c1ccc(O)c(Br)c1
O=C(c1ccccc1)c1ccc2[nH]c(nc2c1)-c1cc2ccccc2[nH]1
Brc1ccc2[nH]c(nc2c1)-c1cc2ccccc2[nH]1
c1c([nH]c2ccccc12)-c1nc2cccc3cccc([nH]1)c23
Cc1cccc2[nH]c(nc12)-c1cc2ccccc2n1Cc1ccccc1
Cc1cc(C)c2nc([nH]c2c1)-c1cc2ccccc2n1Cc1ccccc1
C(c1ccccc1)n1c(cc2ccccc12)-c1nc2ccccc2[nH]1
Brc1cnc2[nH]c(nc2c1)-c1cc2ccccc2n1Cc1ccccc1
Brc1ccc2[nH]c(nc2c1)-c1cc2ccccc2n1Cc1ccccc1
Clc1cc2nc([nH]c2cc1Cl)-c1cc2ccccc2n1Cc1ccccc1
BrC1=CN2NC(=NC2N=C1)c1cc2ccccc2n1Cc1ccccc1 |c:5,9,t:1|
Cc1cccc2[nH]c(nc12)-c1cc2ccccc2[nH]1
COc1cc(\C=C\CO)cc2C(CO)C(Oc12)c1ccc(O)c(OC)c1
C[C@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@H](C)C1 |r,c:22|
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(F)c1)N1CC[C@@H](C)C1 |r,c:22|
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(c1)C#N)N1CC[C@@H](C)C1 |r,c:22|
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1ccc(cc1)S(C)(=O)=O)N1CC[C@@H](C)C1 |r,c:22|
CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCCCC2)cc1)c1cccc(O)c1 |t:1|
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CCCC1 |r,c:22|
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1ccc(O)cc1)N1CC[C@@H](C)C1 |r,c:22|
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1ccccc1)N1CC[C@@H](C)C1 |r,c:22|
C[C@H]1CCN(CCOc2ccc(cc2)C2Oc3ccc(O)cc3C(C)=C2c2cccc(O)c2)C1 |r,c:26|
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1ccc(cc1)C#N)N1CC[C@@H](C)C1 |r,c:22|
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(c1)S(C)(=O)=O)N1CC[C@@H](C)C1 |r,c:22|
CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCCC2)cc1)c1cccc(O)c1 |t:1|
CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCCCCC2)cc1)c1cccc(O)c1 |t:1|
C[C@@H]1CCN(CCOc2ccc(cc2)C2Oc3ccc(O)cc3C(C)=C2c2cccc(O)c2)C1 |r,c:26|
CC1CCN(CCOc2ccc(cc2)C2Oc3ccc(O)cc3C(C)=C2c2cccc(O)c2)CC1 |c:26|
C[C@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CCCC1 |r,c:22|
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CCCCC1 |r,c:22|
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](C)C1 |r,c:22|
C[C@@H](COc1ccc(cc1)[C@H]1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](C)C1 |r,c:22|
C[C@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](C)C1 |r,c:22|
C[C@@H](COc1ccc(cc1)C1Oc2cc(O)ccc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](C)C1 |r,c:22|
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1ccc(F)cc1)N1CC[C@@H](C)C1 |r,c:22|
CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCC2)cc1)c1cccc(O)c1 |t:1|
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@H](C)C1 |r,c:22|
C[C@@H](COc1ccc(cc1)C1Oc2cc(O)ccc2C(C)=C1c1ccc(O)cc1)N1CC[C@@H](C)C1 |r,c:22|
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CCCCCC1 |r,c:22|
c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O
Oc1ccc2c(c1)oc1oc3cc(O)cc(O)c3c(=O)c21
COC(=O)c1ccc(OCc2oc(nc2C)-c2cccc(OC)c2)cc1
COC(=O)c1cccc(OCc2oc(nc2C)-c2ccccc2OC)c1
COC(=O)Cc1ccc(OCc2oc(nc2C)-c2ccccc2OC)cc1
COC(=O)Cc1ccc(OCc2oc(nc2C)-c2cccc(OC)c2)cc1
CC1CC(=O)C2=C(C1)OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CC(C)(C)C1 |c:5,10|
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CCC1 |c:6,11|
CC1(C)CCC(=O)C2=C1OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CCC1 |c:7,11|
CC1CC(=O)C2=C(C1)OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CCC1 |c:5,10|
CC1CC(=O)C2=C(C1)OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CC(C)C1 |c:5,10|
O=C1CCC2=C1C(C1=C(CCC1=O)O2)c1cc2ccccc2n1Cc1ccccc1 |c:4,t:8|
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CCC1(C)C |c:6,11|
O=c1[nH]c2Oc3[nH]c(=O)[nH]c(=O)c3C(c3cc4ccccc4n3Cc3ccccc3)c2c(=O)[nH]1
CC1CC(=O)C2=C(C1)OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CCC1(C)C |c:5,10|
CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2cc3ccccc3n2Cc2ccccc2)C(=O)CC(C)(C)C1 |c:6,11|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])cc1
[#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6](-[#6]-[#6](=O)-c12)-c1ccc(-[#8])cc1
CC(C)[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3C4=CN(C(=O)C=C4)C)NC(=O)C(C)(F)F
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccccc1C(F)(F)F)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1 |t:8,TLB:28:8:10:13.12,THB:14:13:7.8:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccc(\C=C\c2cc(O)cc(O)c2)c1)c1ccc(O)cc1 |t:8,TLB:34:8:10:13.12,THB:14:13:7.8:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccc(O)c1)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1 |t:8,TLB:25:8:10:13.12,THB:14:13:7.8:10|
COc1cc(OC)cc(\C=C\c2ccc(cc2)C2=C(C3CC(C2O3)S(=O)(=O)Oc2ccc(Br)cc2)c2ccc(O)cc2)c1 |t:18,THB:14:17:23:21.20,24:21:18.17:23|
Cc1ccccc1OS(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1 |c:18,TLB:8:11:17.16:14,THB:25:16:14:11.12|
COc1cccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(\C=C\c3cc(OC)cc(OC)c3)cc2)c1 |c:17,TLB:8:11:17.16:14,THB:25:16:14:11.12|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccccc1)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1 |t:8,TLB:24:8:10:13.12,THB:14:13:7.8:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(Br)cc1)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1 |t:8,TLB:25:8:10:13.12,THB:14:13:7.8:10|
COc1cccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(\C=C\c3cc(O)cc(O)c3)cc2)c1 |c:17,TLB:8:11:17.16:14,THB:25:16:14:11.12|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccccc1Cl)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1 |t:8,TLB:25:8:10:13.12,THB:14:13:7.8:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccc(c1)C(F)(F)F)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1 |t:8,TLB:28:8:10:13.12,THB:14:13:7.8:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccc(Cl)c1)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1 |t:8,TLB:25:8:10:13.12,THB:14:13:7.8:10|
Cc1cccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(\C=C\c3cc(O)cc(O)c3)cc2)c1 |c:16,TLB:7:10:16.15:13,THB:24:15:13:10.11|
Oc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(\C=C\c3cc(O)cc(O)c3)cc2)cc1 |c:15,TLB:6:9:15.14:12,THB:23:14:12:9.10|
Cc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(\C=C\c3cc(O)cc(O)c3)cc2)cc1 |c:15,TLB:6:9:15.14:12,THB:23:14:12:9.10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccccc1)c1ccc(\C=C\c2ccccc2)cc1 |t:8,TLB:24:8:10:13.12,THB:14:13:7.8:10|
COc1cc(OC)cc(\C=C\c2ccc(OS(=O)(=O)C3CC4OC3C(=C4c3ccc(O)cc3)c3ccc(O)cc3)cc2)c1 |c:25,TLB:16:19:25.24:22,THB:33:24:22:19.20|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1)c1ccc(O)cc1 |t:8,TLB:34:8:10:13.12,THB:14:13:7.8:10|
CCc1ccccc1OS(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1 |c:19,TLB:9:12:18.17:15,THB:26:17:15:12.13|
COc1cc(OC)cc(\C=C\c2ccc(OS(=O)(=O)[C@H]3C[C@H]4O[C@@H]3C(=C4c3ccc(O)cc3)c3ccc(O)cc3)cc2)c1 |r,c:25,TLB:16:19:25.24:22,THB:33:24:22:19.20|
COc1cc(OC)cc(\C=C\c2ccc(OS(=O)(=O)[C@@H]3C[C@@H]4O[C@H]3C(=C4c3ccc(O)cc3)c3ccc(O)cc3)cc2)c1 |r,c:25,TLB:16:19:25.24:22,THB:33:24:22:19.20|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(Cl)cc1)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1 |t:8,TLB:25:8:10:13.12,THB:14:13:7.8:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccc(Br)c1)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1 |t:8,TLB:25:8:10:13.12,THB:14:13:7.8:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccc2ccccc12)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1 |t:8,TLB:28:8:10:13.12,THB:14:13:7.8:10|
[H][C@@]12C[C@@H]([C@]([H])(O1)C(=C2c1ccc(O)cc1)c1ccc(O)cc1)S(=O)(=O)Oc1ccccc1 |r,c:8,TLB:23:3:8.7:6,THB:16:7:6:3.2|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(cc1)-c1ccccc1)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1 |t:8,TLB:30:8:10:13.12,THB:14:13:7.8:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(F)cc1)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1 |t:8,TLB:25:8:10:13.12,THB:14:13:7.8:10|
COc1cc(OC)cc(\C=C\c2ccc(cc2)C2=C(C3CC(C2O3)S(=O)(=O)Oc2ccccc2)c2ccc(O)cc2)c1 |t:18,THB:14:17:23:21.20,24:21:18.17:23|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(\C=C\c2ccccc2)cc1)c1ccc(O)cc1 |t:8,TLB:32:8:10:13.12,THB:14:13:7.8:10|
COc1cc(OC)cc(\C=C\c2cccc(OS(=O)(=O)C3CC4OC3C(=C4c3ccc(O)cc3)c3ccc(O)cc3)c2)c1 |c:26,TLB:17:20:26.25:23,THB:34:25:23:20.21|
CC(=O)\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:12|
Cc1ccc(cc1)N1CCN(CC1)C(=O)\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:26|
COc1ccc2c(OCCC(c3ccc(O)cc3)=C2c2ccc(OCC(O)=O)cc2)c1 |c:18|
COc1ccc2c(OCCC(c3ccc(O)cc3)=C2c2ccc(\C=C\C(O)=O)cc2)c1 |c:18|
OC(=O)\C=C\c1ccc(cc1)C1=C(CCSc2cc(F)ccc12)c1ccc(O)cc1 |t:12|
Oc1ccc(cc1)C1=C(c2ccc(\C=C\c3ccccc3)cc2)c2ccc(F)cc2OCC1 |c:8|
Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)N3CCCC3)cc2)c2ccc(F)cc2OCC1 |c:8|
CCN(CC)CCNC(=O)\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:19|
Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)N3CCNCC3)cc2)c2ccc(F)cc2OCC1 |c:8|
Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)N3CCN(Cc4ccccc4)CC3)cc2)c2ccc(F)cc2OCC1 |c:8|
Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)Nc3ccccc3)cc2)c2ccc(F)cc2OCC1 |c:8|
OC(=O)COc1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:12|
CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
OC(=O)\C=C\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:14|
Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)c3ccccc3)cc2)c2ccc(F)cc2OCC1 |c:8|
OC(=O)\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:12|
CCN(CC)C(=O)\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:16|
CN1CCN(CC1)C(=O)\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:19|
Oc1ccc(cc1)C1=C(c2ccc(C=O)cc2)c2ccc(F)cc2OCC1 |c:8|
OC(=O)CCCOc1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:14|
OC(=O)\C=C\c1ccc(cc1)C1=C(CCOc2ccccc12)c1ccc(O)cc1 |t:12|
CCCC(CCC)(c1ccc([nH]1)C(=O)OCC)c1ccc(O)c(C)c1
CCCC(CCC)(c1cccs1)c1ccc(O)c(C)c1
CCCC(CCC)(c1ccc(C(=O)OCC)n1C)c1ccc(O)c(C)c1
CCCC(CCC)(c1ccc([nH]1)C(O)=O)c1ccc(O)c(C)c1
CCCC(CCC)(c1ccc(C(O)=O)n1C)c1ccc(O)c(C)c1
CCCC(CCC)(c1cc(C)cs1)c1ccc(O)c(C)c1
CCCC(CCC)(c1c[nH]c2cc(OCc3ccccc3)ccc12)c1ccc(O)c(C)c1
CCCC(CCC)(c1c[nH]c2cccc(OCc3ccccc3)c12)c1ccc(O)c(C)c1
CCN(CC)CCOc1ccc(Nc2cc(Cl)nc(n2)-c2ccc(OC)cc2)cc1
CN(C)CCOc1ccc(Nc2nc(nc(Cl)c2-c2ccccc2)-c2ccc(O)cc2)cc1
Oc1ccc(cc1)-c1nc(Cl)c(-c2ccccc2)c(Oc2ccc(OCCN3CCCC3)cc2)n1
COc1ccc(cc1)-c1nc(Cl)c(-c2ccccc2)c(Oc2ccc(OCCN3CCCC3)cc2)n1
CCN(CC)CCOc1ccc(Oc2cc(Cl)nc(n2)-c2ccc(OC)cc2)cc1
COc1ccc(cc1)-c1nc(Cl)cc(Nc2ccc(NC(=O)CN3CCCC3)cc2)n1
COc1ccc(cc1)-c1nc(Cl)cc(Oc2ccc(OCCN(C)C)cc2)n1
COc1ccc(cc1)-c1nc(Cl)cc(Oc2ccc(OCCN3CCCC3)cc2)n1
[H][C@@]12C[C@@H](CCC#CCNC3=C4C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)\C=C/C=C(C)/C(=O)NC(=CC3=O)C4=O)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,c:10,23,34,36,t:42|
[H][C@@]12CC[C@@](O)(C#CC(=O)OCC3CCC#C\C=C/C#CC3)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,c:17|
[H][C@@]12C[C@@H](CCC\C=C\CNC3=C4C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)\C=C/C=C(C)/C(=O)NC(=CC3=O)C4=O)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,c:11,24,35,37,t:43|
CC(C)C[C@H](NC(=O)[C@](C)(CCCC=C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CCCC=C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCCN |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r,c:63|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](C(C)C)C(N)=O |r,c:90|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r|
CC(C)CCc1cc(NCC(C)C)nc(NCC(C)C)n1
CC[C@H](C)[C@@H]1NC(=O)[C@H](CS\C=C\CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 |r,t:11|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@]1(C)CCC\C=C/CCC[C@](C)(NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r,c:22|
CC[C@H](C)[C@@H]1NC(=O)C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)NC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@]1(C)C[C@H](C)C\C=C/CCC[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r,c:14|
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N |r|
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r,c:13|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CO)C(N)=O |r,c:56|
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CNC(=O)[C@H](CC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N1)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r,c:13|
CC(C)C[C@H](NC(=O)[C@]1(C)CCC\C=C/C[C@@H](C)C[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r,c:13|
CC(C)C[C@H](NC(=O)[C@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r,c:13|
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N |r|
CC[C@H](C)[C@@H]1NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |r,c:13|
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N |r|
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@]1(C)CCC\C=C/C[C@H](C)C[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r,c:13|
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccc(CCC(=O)NO)cc1
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccc(OCCCCC(=O)NO)cc1
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccc(cc1)C(=O)NO
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccc(CCCCC(=O)NO)cc1
CCC(Cc1ccccc1)=C(c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1
[#6]-[#6]-[#7](-[#6]-[#6])-[#6]-[#6]-[#8]-c1ccc(cc1)-[#6](=[#6](\C#N)-c1ccccc1)\c1ccc(-[#8]-[#6]-[#6]-[#7](-[#6]-[#6])-[#6]-[#6])cc1
[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-c2ccc(cc2)-[#6](=[#6](/C#N)-c2ccccc2)\c2ccc(-[#8]-[#6]-[#6]-[#7]-3-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-3)cc2)-[#6]-[#6]-1
CCCc1c(nn(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1
c1cc(ccc1C[C@H](C#N)c2ccc(cc2)O)O
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1oc(cc2=O)-c1ccc(-[#8])cc1
OC[C@@H]1CCC[C@H](CC1)c1ccc(O)cc1 |r|
OC[C@@H]1CCC[C@@H](CC1)c1ccc(O)cc1 |r|
OCCC1CCCC(CC1)c1ccc(O)cc1
OC1CCCC(CC1)c1ccc(O)cc1
OC[C@H]1CCC[C@H](CC1)c1ccc(O)cc1 |r|
OCC1CCCC(CC1)c1ccc(O)cc1
O\N=C1/CCCC(CC1)c1ccc(O)cc1
OC[C@H]1CCC[C@@H](CC1)c1ccc(O)cc1 |r|
CCc1nc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1
OC(=O)\C=C\c1ccc(Oc2c(-c3ccccc3)c(nc3cc(O)ccc23)-c2ccccc2)cc1
CCc1nc2cc(O)ccc2c(Oc2ccc(\C=C\C(=O)N3CCCCC3)cc2)c1-c1ccccc1
CCc1nc2cc(O)ccc2c(Oc2ccc(\C=C\C(N)=O)cc2)c1-c1ccccc1
CCc1nc2cc(O)ccc2c(Oc2cccc(\C=C\C(O)=O)c2)c1-c1ccccc1
CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
CCc1nc2cc(O)ccc2c(Oc2ccc(\C=C\C(=O)N(C)C)cc2)c1-c1ccccc1
CCc1nc2cc(O)ccc2c(Oc2ccc(OCCN(C)C)cc2)c1-c1ccccc1
CCc1nc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1cccc(c1)C(F)(F)F
CCc1nc2cc(O)ccc2c(Oc2ccc(\C=C\C(=O)NC(C)C)cc2)c1-c1ccccc1
c1cc(ccc1/C=C/C(=O)O)O
CCOC(=O)c1ccc(cc1)O
COc1ccc(CC=C)cc1-c1cc(C=O)cc(O)c1O
[H][C@@]12CCC3[C@@](C)(CC[C@@]3(C)C1=CCC1C(C)(C)C(=O)CC[C@]21C)[C@H](C)CC(=O)\C=C(\C)C(O)=O |r,c:13|
[H][C@@]12CC(=O)c3cc(ccc3[C@@]1(C)CCC[C@]2(C)C(O)=O)C(C)(C)O |r|
Oc1ccc(CC(=O)c2ccc(O)cc2O)cc1
[H][C@@]12CC=C3[C@@](C)(CC[C@@]3(C)C1=CCC1C(C)(C)[C@H](O)CC[C@]21C)[C@H](C)CC(=O)\C=C(\C)C(O)=O |r,c:13,t:3|
[H][C@@]12O[C@]1([H])[C@]1([H])[C@@]3(C[C@]3(CCC(O)=O)[C@@H]2C(C)=C)CC[C@]2(C)[C@]([H])(CC[C@@]12C)[C@H](C)CC\C=C(/C)C(O)=O |r|
CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)cc1)c1ccccc1
CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)Cc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1)c1ccccc1
[H][C@@]12CC\C(=C/c3ccccn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:24|
Cc1nc2cc(C(O)=O)c(cc2[nH]1)[N+]([O-])=O
[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@]1([H])c3ccc(OC)cc3CC[C@@]21[H] |r|
[H][C@@]12CC\C(=C/c3ccccn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C[C@@H](O)CC[C@]12C |r,t:25|
[H][C@@]12CC\C(=C/c3ccccn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C2C[C@H](CC[C@]12C)OC(C)=O)[N+]([O-])=O |r,t:24|
[H][C@@]12CC\C(=C/c3ccccn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=C(O)C(=O)CC[C@]12C |r,c:23,25|
[H][C@@]12CC\C(=C/c3ccccn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:25|
[H][C@@]12CC\C(=C/c3ccccn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(C)=O |r,t:24|
Cc1nc2cc(ccc2[nH]1)-c1nnc(SS(C)(=O)=O)o1
Cc1nc2cc(ccc2[nH]1)C(=O)NN
CCOC(=O)c1cc2nc(C)[nH]c2cc1[N+]([O-])=O
Cc1nc2cc(-c3n[nH]c(=S)o3)c(cc2[nH]1)[N+]([O-])=O
[H][C@@]12C[C@H](O)\C(=C/c3ccccn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(C)=O |r,t:25|
[H][C@@]12CC\C(=C/c3ccccn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)C2=CC(=O)CC[C@]12C |r,t:26|
Cc1nc2cc(C(=O)NN)c(cc2[nH]1)[N+]([O-])=O
Cc1nc2cc(ccc2[nH]1)C(O)=O
Cc1nc2cc(ccc2[nH]1)-c1nnc(SCC#N)o1
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3cc(CCC(=O)c4ccc(O)c(OC)c4)c(OC)cc3CC[C@@]21[H] |r|
[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@]1([H])c3cc(C=O)c(OC)cc3CC[C@@]21[H] |r|
[H][C@@]12CC=C(CO)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,t:3|
[H][C@@]12CC[C@H](C(=O)OCCC)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
CCOC(=O)COc1ccc(cc1Cc1ccc2ccccc2c1)-c1ccc(OCCN(C)C)cc1
CCOC(=O)COc1ccc(cc1CC1CCCCC1)-c1ccc(OCCN(C)C)cc1
CCOC(=O)COc1ccc(cc1)-c1ccc(OCCN(C)C)c(Cc2ccc(cc2)-c2ccccc2)c1
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCCCC(=O)N(O)CCCC)[C@@]21[H] |r|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCCCC(=O)Nc3ccccc3N)[C@@]21[H] |r|
[H][C@]1(O)CC[C@@]2([H])[C@]3([H])[C@H](CCCCCCCCCCC(=O)N(C)CCCC)Cc4cc(O)ccc4[C@@]3([H])CC[C@]12C
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCCCC(=O)NO)[C@@]21[H] |r|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](SCCCCCC(=O)Nc3cccc(c3)C(=O)N(O)CCCC)[C@@]21[H] |r|
O=C(c1c(sc2ccccc12)-c1ccccc1)c1ccc(OCCN2CCCCC2)cc1
[#6]-[#6](=O)-[#7]1C([#6])([#6])[#6]\[#6](-[#6]C1([#6])[#6])=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCCOCCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1F |r|
C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCOCCOCCOc1cc(F)c([C@H]2N(CC(C)(C)F)[C@H](C)Cc3c2[nH]c2ccccc32)c(F)c1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r|
C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCOCCCCCOc1cc(F)c([C@H]2N(CC(C)(C)F)[C@H](C)Cc3c2[nH]c2ccccc32)c(F)c1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCOCCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCC(F)(F)CCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
CC(C)(CN1[C@@H]2CCC[C@]1(c3c(c4ccccc4[nH]3)C2)c5c(cc(cc5F)/C=C/C(=O)O)F)F
[H][C@]12Cc3c([nH]c4ccccc34)[C@](CC=C1)(N2CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r,c:16,THB:17:16:2.3.4:13.15.14|
[H][C@]12CCC[C@](N1CC(C)(C)F)(c1[nH]c3ccccc3c1C2)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r,TLB:7:6:21.20.12:4.2.3|
C[C@@H]1Cc2c3ccccc3[nH]c2[C@@](N1CC(C)(C)F)(C)c4c(cc(cc4F)/C=C/C(=O)O)F
C[C@@H]1C[C@]11[C@@H](O)Cc2c1ccc1c2ccc2ccc(O)cc12 |r|
CCCN1CC[C@@H](C1)Oc1ccc(cc1)C1=C(CCc2ccc(O)cc12)c1ccc(O)cc1 |r,t:17|
Oc1ccc(cc1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2cc(O)ccc2CC1 |r,c:8|
CCCN1CC(C1)Oc1ccc(cc1)C1=C(CCc2ccc(O)cc12)c1ccc(O)cc1 |t:16|
CCN1CC[C@@H](C1)Oc1ccc(cc1)C1=C(CCc2ccc(O)cc12)c1ccc(O)cc1 |r,t:16|
Oc1ccc(cc1)C1=C(c2ccc(OCCN3CCCC3)cc2)c2cc(O)ccc2CC1 |c:8|
Cc1c(nc(C2CC2)n1-c1c(Cl)ccc(N2CC3(CC(C3)C(O)=O)C2)c1Cl)C1(CC1)C(F)(F)F |(63.47,-36.06,;63.15,-37.56,;64.18,-38.71,;63.41,-40.04,;61.9,-39.72,;60.76,-40.76,;59.26,-41.08,;60.29,-42.22,;61.73,-38.19,;60.4,-37.42,;60.41,-35.88,;61.75,-35.11,;59.08,-35.11,;57.74,-35.88,;57.75,-37.43,;56.41,-38.2,;54.93,-37.8,;54.54,-39.29,;53.04,-38.89,;52.64,-40.38,;54.13,-40.78,;51.3,-41.15,;49.97,-40.37,;51.3,-42.69,;56.03,-39.69,;59.08,-38.19,;57.73,-38.94,;65.71,-38.7,;65.71,-37.16,;67.04,-37.93,;66.49,-40.03,;68.03,-40.03,;65.72,-41.37,;67.25,-41.36,)|
COc1ccc(cc1)-c1cc2cc(OC)ccc2nc1Nc1ccc(NC(=O)CN2CCN(C)CC2)cc1
COc1ccc(cc1)-c1cc2ccc(OC)cc2nc1Nc1ccc(NC(=O)CN2CCN(C)CC2)cc1
CC/C(=C(\c1ccccc1)/c2ccc(cc2)/C=C/C(=O)O)/c3ccccc3
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2nncn2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)-c1nccs1)c1ccccc1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccccc1)\c1ccc(cc1)-c1cn[nH]c1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(cc1Cl)C#N)\c1ccc(cc1)N1CCOCC1
COc1ccc(\C(C2CCC2)=C(/c2ccc(\C=C\C(O)=O)cc2)c2ccc(cc2)N2CCOCC2)c(Cl)c1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2n(C)ncc2c1)c1ccc(F)cc1Cl
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2nccn2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2cncn2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccn2nncc2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2nnnn2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2scnc2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2sc(C)nc2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2ccccc2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)-c1cnsc1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)-c1cnco1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)-c1cc[nH]n1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)-c1cnn(C)c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)-n1ccnc1)c1ccccc1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccccc1)\c1ccc2scnc2c1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(F)cc1Cl)\c1ccc2nccn2c1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(F)cc1Cl)\c1ccc(cc1)-c1cncs1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(F)cc1Cl)\c1ccc(cc1)-c1cn[nH]c1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(cc1Cl)C#N)\c1ccc2scnc2c1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(cc1Cl)C#N)\c1ccc2nccn2c1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(cc1Cl)C#N)\c1ccc(cc1)-c1cncs1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(Cl)cc1C#N)\c1ccc(cc1)-c1cncs1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(Cl)cc1C#N)\c1ccc(cc1)-c1cn[nH]c1
COc1ccc(\C(C2CCC2)=C(/c2ccc(\C=C\C(O)=O)cc2)c2ccc3nccn3c2)c(Cl)c1
COc1ccc(\C(C2CCC2)=C(/c2ccc(\C=C\C(O)=O)cc2)c2ccc(cc2)-c2cncs2)c(Cl)c1
COc1ccc(\C(C2CCC2)=C(/c2ccc(\C=C\C(O)=O)cc2)c2ccc(cc2)-c2cn[nH]c2)c(Cl)c1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(cc1Cl)C(F)(F)F)\c1ccc2nccn2c1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(cc1Cl)C(F)(F)F)\c1ccc(cc1)N1CCOCC1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ncc(cc1Cl)C(F)(F)F)\c1ccc(cc1)-c1cn[nH]c1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ncc(cc1Cl)C(F)(F)F)\c1ccc(cc1)N1CCOCC1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2n(C)ncc2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2ncsc2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)-c1cncs1)c1ccccc1
COc1ccc(\C(C2CCC2)=C(/c2ccc(\C=C\C(O)=O)cc2)c2ccc3scnc3c2)c(Cl)c1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(cc1Cl)C(F)(F)F)\c1ccc(cc1)-c1cn[nH]c1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccn2nccc2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccn2ccnc2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2sncc2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)-c1cscn1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)-c1cn[nH]c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)N1CCOCC1)c1ccccc1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(F)cc1Cl)\c1ccc2scnc2c1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(F)cc1Cl)\c1ccc(cc1)N1CCOCC1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(Cl)cc1C#N)\c1ccc2scnc2c1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(Cl)cc1C#N)\c1ccc(cc1)N1CCOCC1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(cc1Cl)C(F)(F)F)\c1ccc2scnc2c1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ncc(cc1Cl)C(F)(F)F)\c1ccc2scnc2c1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2ocnc2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)N1CCN(C)CC1)c1ccccc1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccccc1)\c1ccc(cc1)-c1cncs1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(Cl)cc1C#N)\c1ccc2nccn2c1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ncc(cc1Cl)C(F)(F)F)\c1ccc(cc1)-c1cncs1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)N1CCCCC1)c1ccccc1
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(cc1Cl)C#N)\c1ccc(cc1)-c1cn[nH]c1
CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC[C@H](C2)C(F)F)cc1)c1cccc(O)c1 |r,t:1|
CC1=C([C@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1 |r,t:1|
C[C@@H](COc1ccc(cc1)[C@H]1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](CF)C1 |r,c:22|
C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](CF)C1 |r,c:22|
CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(cc1)C#N |t:1|
CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1 |t:1|
CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCC(CF)CC2)cc1)c1cccc(O)c1 |t:1|
CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC[C@@H](CF)C2)cc1)c1cccc(O)c1 |r,t:1|
CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC[C@H](C2)C#N)cc1)c1cccc(O)c1 |r,t:1|
COC[C@@H]1CCN(CCOc2ccc(cc2)C2Oc3ccc(O)cc3C(C)=C2c2cccc(O)c2)C1 |r,c:28|
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC[C@@H](CF)C1 |r,c:22|
CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1 |r,t:1|
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CC(CF)C1 |r,c:22|
CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCC[C@H]2CF)cc1)c1cccc(O)c1 |r,t:1|
Cc1ccc2n(c(CCN3C(=O)c4cccc5cccc(C3=O)c45)nc2c1)-c1ccncc1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(C2)C2CC2)cc1
CC1CN(CCOc2ccc(Oc3c(sc4cc(O)ccc34)C(=O)c3ccccc3C)cc2)C1
Oc1ccc2c(Oc3ccc(OC4CN(CCCF)C4)cc3)c(sc2c1)C(=O)c1ccccc1
Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCC2)cc1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1
Oc1ccc2c(Oc3ccc(OCCN4CC(CF)C4)cc3)c(sc2c1)C(=O)c1ccc(F)cc1
Cc1ccc(C(=O)c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CC(CF)C3)cc2)c(C)c1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC[C@H](CF)C2)cc1 |r|
Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1
Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1
Oc1ccc(cc1)C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1
Cc1cc(F)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1
Cc1cc(F)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1
Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC[C@@H](CF)C2)cc1 |r|
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1
Oc1ccc2c(Oc3ccc(OCCN4CC(CF)C4)cc3)c(sc2c1)C(=O)c1ccccc1
Cc1cc(O)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC[C@@H](CF)C2)cc1 |r|
[#6]S(=O)(=O)c1ccc(cc1)-[#6](\[#6]-[#6]-[#6]-[#6]-[#8]-[#7+](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1
[#6]S(=O)(=O)c1ccc(cc1)-[#6](\[#6]-[#6]-[#6]-[#8]-[#7+](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1
[#6]S(=O)(=O)c1ccc(cc1)-[#6](\[#6]-[#6]-[#6]-[#6]-[#8]-[#7+](-[#8-])=O)=[#6](/c1ccccc1)-c1ccccc1
[#6]S(=O)(=O)c1ccc(cc1)-[#6](\[#6]-[#6]-[#6]-[#8])=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1
[#6]S(=O)(=O)c1ccc(cc1)-[#6](\[#6]-[#6]-[#6]-[#6]-[#8])=[#6](/c1ccccc1)-c1ccccc1
[#6]S(=O)(=O)c1ccc(cc1)-[#6](\[#6]-[#6]-[#6]-[#6]-[#8])=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1
[#6]S(=O)(=O)c1ccc(cc1)-[#6](\[#6]-[#6]-[#6]-[#8])=[#6](/c1ccccc1)-c1ccccc1
[#6]S(=O)(=O)c1ccc(cc1)-[#6](\[#6]-[#6]-[#6]-[#8]-[#7+](-[#8-])=O)=[#6](/c1ccccc1)-c1ccccc1
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(cc3C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]21[H])B(O)O |r|
CC(C)CN1CCc2cccc3[nH]cc(C1c1ccc(\C=C\C(O)=O)cc1)c23
COc1cc(\C=C\C(O)=O)ccc1[C@@]1(C)N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
CC(C)CN1CCc2c(ccc3[nH]ccc23)C1c1ccc(\C=C\C(O)=O)cc1
CC(C)CN1CCc2c(ccc3[nH]ncc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1ccc(\C=C\C(O)=O)cc1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(F)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
COc1c(F)c(\C=C\C(O)=O)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC(C)(F)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r|
COc1cc(\C=C\C(O)=O)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
COc1cc(\C=C\C(O)=O)cc(F)c1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
CC(C)CN1[C@H](c2ccc(\C=C\C(O)=O)cc2)c2ccc3[nH]ncc3c2CC1(C)C |r|
COc1cc(\C=C\C(O)=O)c(F)cc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
CC(C)CN1CCc2cc(ccc2[C@H]1c3ccc(cc3)/C=C/C(=O)O)O
CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r|
COc1cc(\C=C\C(O)=O)ccc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
OCC1CCC(=CC1)c1ccc(O)cc1 |c:5|
OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)|
Oc1ccc(cc1)C1CCC(=C)CC1
CC1CCC(CC1)c1ccc(O)cc1 |(29.12,-19.6,;27.58,-19.59,;26.8,-20.92,;25.27,-20.92,;24.5,-19.58,;25.27,-18.25,;26.81,-18.26,;22.96,-19.58,;22.19,-18.25,;20.65,-18.25,;19.88,-19.58,;18.34,-19.58,;20.66,-20.92,;22.2,-20.91,)|
OCCC1CCC(CC1)c1ccc(O)cc1 |(34.72,-35.11,;33.18,-35.11,;32.41,-36.44,;30.87,-36.43,;30.09,-37.76,;28.56,-37.76,;27.79,-36.42,;28.55,-35.09,;30.1,-35.09,;26.25,-36.42,;25.48,-35.08,;23.94,-35.08,;23.17,-36.42,;21.63,-36.42,;23.95,-37.76,;25.49,-37.75,)|
COc1cc(cc2CN(C3CCC(=O)NC3=O)C(=O)c12)N1CCN(CCC2CCN(CC2)c2ccc(cc2F)[C@H]2[C@H](CCc3cc(O)ccc23)c2ccccc2)CC1 |r|
COc1cc(cc2CN([C@@H]3CCC(=O)NC3=O)C(=O)c12)N1CCN(CCCCCOc2ccc(cc2)[C@H]2[C@H](CCc3cc(O)ccc23)c2ccccc2)CC1 |r|
COc1cc(cc2CN(C3CCC(=O)NC3=O)C(=O)c12)N1CCN(CC1)C1CC2CC(CC2C1)Oc1ccc(cc1)[C@H]1[C@H](CCc2cc(O)ccc12)c1ccc(F)cc1 |r,wU:41.47,42.60,(67.34,-24.52,;65.8,-24.5,;65.01,-25.82,;63.48,-25.79,;62.7,-27.1,;63.43,-28.45,;64.98,-28.48,;65.98,-29.63,;67.39,-29.03,;68.71,-29.82,;70.04,-29.06,;71.36,-29.85,;71.34,-31.39,;72.65,-32.18,;69.99,-32.13,;68.68,-31.35,;67.34,-32.09,;67.25,-27.51,;68.41,-26.5,;65.76,-27.17,;61.16,-27.08,;60.36,-28.39,;58.83,-28.36,;58.09,-27.02,;58.87,-25.7,;60.41,-25.73,;56.56,-27,;55.63,-28.23,;54.18,-27.73,;52.7,-28.18,;51.81,-26.92,;52.75,-25.69,;54.2,-26.19,;55.67,-25.74,;50.27,-26.9,;49.48,-28.22,;50.22,-29.58,;49.43,-30.9,;47.88,-30.86,;47.13,-29.52,;47.92,-28.2,;47.09,-32.18,;47.83,-33.55,;47.03,-34.87,;45.49,-34.83,;44.74,-33.49,;43.21,-33.44,;42.46,-32.09,;40.92,-32.06,;43.25,-30.78,;44.79,-30.8,;45.54,-32.16,;49.37,-33.57,;50.11,-34.93,;51.66,-34.96,;52.46,-33.63,;53.99,-33.66,;51.7,-32.28,;50.16,-32.25,)|
COc1cc(cc2CN(C3CCC(=O)NC3=O)C(=O)c12)N1CCN(CC(=O)C2CC(C2)Oc2ccc(cc2)[C@H]2[C@H](CCc3cc(O)ccc23)c2ccccc2)CC1 |r,wU:38.42,39.55,(26.71,-11.57,;27.5,-10.25,;26.74,-8.91,;25.2,-8.89,;24.45,-7.55,;25.22,-6.23,;26.76,-6.24,;27.79,-5.09,;29.2,-5.72,;30.53,-4.95,;31.85,-5.73,;33.18,-4.97,;33.19,-3.43,;34.52,-2.67,;31.86,-2.66,;30.52,-3.42,;29.19,-2.66,;29.04,-7.26,;30.18,-8.29,;27.53,-7.58,;22.91,-7.54,;22.19,-8.9,;20.66,-8.96,;19.85,-7.66,;18.31,-7.72,;17.49,-6.42,;18.2,-5.06,;15.95,-6.48,;14.91,-7.61,;13.79,-6.57,;14.82,-5.44,;12.25,-6.63,;11.54,-7.99,;12.36,-9.3,;11.64,-10.67,;10.1,-10.72,;9.27,-9.43,;9.98,-8.06,;9.38,-12.08,;10.2,-13.4,;9.48,-14.77,;7.93,-14.82,;7.11,-13.52,;5.57,-13.56,;4.75,-12.26,;3.21,-12.31,;5.47,-10.9,;7.01,-10.84,;7.83,-12.15,;11.74,-13.34,;12.56,-14.65,;14.1,-14.6,;14.82,-13.23,;13.99,-11.92,;12.45,-11.98,;20.55,-6.29,;22.1,-6.24,)|
COc1cc(cc2CN([C@H]3CCC(=O)NC3=O)C(=O)c12)N1CCN(CCCCCOc2ccc(cc2)[C@H]2[C@H](CCc3cc(O)ccc23)c2ccccc2)CC1 |r|
Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OC2CC(O)(CCN3CCN(CC3)c3cc4CN(C5CCC(=O)NC5=O)C(=O)c4c(OC(F)F)c3)C2)cc1 |r,wU:5.19,6.12,(36.69,-14.03,;38.23,-13.97,;38.95,-12.62,;40.48,-12.55,;41.31,-13.87,;42.86,-13.8,;43.68,-15.12,;42.96,-16.49,;41.41,-16.54,;40.59,-15.24,;39.05,-15.28,;45.22,-15.06,;46.03,-16.37,;47.58,-16.31,;48.3,-14.95,;47.47,-13.64,;45.93,-13.69,;43.58,-12.43,;45.12,-12.38,;45.84,-11.02,;45.02,-9.71,;45.73,-8.35,;47.27,-8.28,;48.39,-9.32,;49.43,-8.2,;49.82,-6.7,;50.97,-8.13,;51.79,-9.43,;53.32,-9.37,;54.14,-10.67,;55.67,-10.62,;56.39,-9.26,;55.57,-7.96,;54.03,-8.01,;57.93,-9.27,;58.7,-7.95,;60.23,-7.96,;61.27,-6.81,;62.68,-7.44,;64.01,-6.67,;65.33,-7.45,;66.66,-6.69,;66.67,-5.15,;68,-4.39,;65.34,-4.37,;64,-5.14,;62.67,-4.37,;62.51,-8.97,;63.66,-10,;61,-9.29,;60.22,-10.62,;60.97,-11.96,;60.19,-13.28,;58.66,-13.27,;60.95,-14.62,;58.68,-10.61,;48.3,-7.15,;43.46,-9.78,;42.75,-11.14,)|
COc1cc(cc2CN(C3CCC(=O)NC3=O)C(=O)c12)N1CCN(CCCCCOc2ccc(cc2)[C@H]2[C@H](CCc3cc(O)ccc23)c2ccccc2)CC1 |r|
COc1cc(cc2CN(C3CCC(=O)NC3=O)C(=O)c12)N1CCN(CCC2(O)CC(C2)Oc2ccc(cc2)[C@H]2[C@H](CCc3cc(O)ccc23)c2ccccc2)CC1 |r,wU:38.42,39.55,(26.88,-31.48,;27.66,-30.16,;26.91,-28.82,;25.37,-28.8,;24.62,-27.46,;25.39,-26.14,;26.92,-26.15,;27.96,-25.01,;29.36,-25.63,;30.7,-24.87,;32.02,-25.64,;33.35,-24.88,;33.36,-23.35,;34.69,-22.58,;32.03,-22.57,;30.69,-23.34,;29.36,-22.57,;29.2,-27.17,;30.34,-28.2,;27.69,-27.49,;23.08,-27.45,;22.36,-28.81,;20.83,-28.87,;20.01,-27.57,;18.48,-27.63,;17.66,-26.33,;16.12,-26.39,;16.51,-24.9,;15.08,-27.52,;13.96,-26.48,;14.99,-25.35,;12.42,-26.54,;11.71,-27.9,;12.53,-29.22,;11.81,-30.58,;10.27,-30.63,;9.44,-29.34,;10.15,-27.97,;9.55,-31.99,;10.37,-33.31,;9.65,-34.69,;8.1,-34.73,;7.28,-33.43,;5.74,-33.48,;4.92,-32.17,;3.38,-32.22,;5.64,-30.81,;7.18,-30.75,;8,-32.06,;11.91,-33.25,;12.72,-34.57,;14.27,-34.51,;14.99,-33.14,;14.16,-31.83,;12.62,-31.89,;20.72,-26.21,;22.26,-26.15,)|
[H][C@]12C[C@H](C(=O)NCCCCOc3ccc(cc3)C(=C3C4CC5CC(C4)CC3C5)c3ccc(O)cc3)[C@]([H])(C1)C=C2 |r,wU:3.3,36.41,wD:1.0,c:45,TLB:18:19:21:25.23.24,THB:26:24:21:28.27.19,26:27:21:25.23.24,4:3:38:40.39,23:22:19:25.24.26,23:24:21.22.28:19,(21.86,-26.49,;20.44,-27.06,;19.13,-27.48,;18.29,-28.47,;16.96,-29.23,;16.96,-30.78,;15.62,-28.47,;14.29,-29.23,;12.95,-28.47,;11.62,-29.23,;10.28,-28.47,;8.95,-29.23,;8.95,-30.78,;7.61,-31.55,;7.61,-33.08,;8.95,-33.85,;10.28,-33.08,;10.28,-31.54,;8.95,-35.39,;10.28,-36.17,;10.29,-37.65,;9.1,-38.92,;10.6,-38.51,;12.01,-39.07,;13.02,-37.8,;11.62,-38.14,;13.03,-36.27,;11.63,-35.68,;10.59,-36.92,;7.62,-36.17,;6.29,-35.39,;4.95,-36.17,;4.95,-37.71,;3.62,-38.48,;6.3,-38.47,;7.63,-37.7,;19.75,-28.16,;19.36,-29.65,;20.47,-25.65,;20.8,-29.09,;21.56,-28.17,)|
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCOc1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |r,wU:8.7,TLB:33:34:36:40.38.39,THB:38:37:34:40.39.41,38:39:36.37.43:34,41:39:36:43.42.34,41:42:36:40.38.39,(86.82,-.07,;86.83,-1.61,;88.17,-2.37,;88.16,-.82,;85.5,-2.38,;85.5,-3.92,;86.84,-4.69,;84.17,-4.7,;84.17,-6.24,;85.51,-7,;85.52,-8.54,;84.28,-9.45,;84.76,-10.92,;86.29,-10.91,;87.33,-12.05,;88.83,-11.72,;89.3,-10.25,;88.26,-9.12,;86.77,-9.45,;82.84,-7.01,;82.85,-8.55,;81.51,-6.24,;80.18,-7.02,;78.84,-6.25,;77.51,-7.03,;76.17,-6.26,;74.84,-7.03,;74.85,-8.57,;76.18,-9.34,;76.18,-10.88,;74.85,-11.65,;73.52,-10.89,;73.51,-9.35,;74.85,-13.19,;76.19,-13.96,;76.2,-15.46,;75,-16.74,;76.5,-16.33,;77.92,-16.88,;78.93,-15.6,;77.52,-15.94,;78.95,-14.06,;77.53,-13.49,;76.5,-14.73,;73.52,-13.96,;72.18,-13.19,;70.85,-13.96,;70.85,-15.51,;69.52,-16.28,;72.2,-16.27,;73.52,-15.5,)|
Oc1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(OCCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:7:8:10:14.12.13,27:29:32:36.34.35,THB:15:13:10:17.16.8,15:16:10:14.12.13,34:33:30:36.35.37,34:35:32.33.38:30,37:35:32:38.29.30,37:29:32:36.34.35,12:11:8:14.13.15,12:13:10.11.17:8,(16.71,-30.28,;18.04,-29.51,;18.04,-27.96,;19.37,-27.19,;20.7,-27.96,;20.71,-29.5,;19.38,-30.27,;22.04,-27.19,;23.37,-27.96,;23.38,-29.46,;22.19,-30.74,;23.69,-30.33,;25.11,-30.88,;26.11,-29.6,;24.71,-29.95,;26.13,-28.06,;24.72,-27.49,;23.68,-28.73,;22.03,-25.65,;23.37,-24.88,;23.37,-23.34,;22.03,-22.57,;22.03,-21.03,;23.36,-20.26,;24.69,-21.03,;26.03,-20.25,;27.36,-21.02,;28.69,-20.24,;28.69,-18.7,;30.03,-21.01,;28.97,-21.96,;29.55,-23.35,;28.94,-24.99,;30.17,-24.03,;31.69,-23.99,;32.13,-22.42,;30.97,-23.28,;31.55,-20.99,;29.55,-22.55,;20.69,-23.35,;20.7,-24.89,)|
Oc1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(OCCCCNC(=O)C2CCCCC2)cc1 |TLB:7:8:10:14.12.13,THB:12:11:8:14.13.15,12:13:10.11.17:8,15:13:10:17.16.8,15:16:10:14.12.13,(34.3,-46.14,;35.63,-45.37,;35.63,-43.83,;36.95,-43.06,;38.29,-43.83,;38.29,-45.36,;36.97,-46.14,;39.63,-43.06,;40.96,-43.83,;40.97,-45.33,;39.78,-46.6,;41.28,-46.19,;42.7,-46.75,;43.7,-45.46,;42.29,-45.81,;43.72,-43.93,;42.3,-43.36,;41.27,-44.59,;39.62,-41.52,;40.96,-40.75,;40.96,-39.21,;39.62,-38.44,;39.62,-36.9,;40.95,-36.12,;42.28,-36.89,;43.62,-36.12,;44.95,-36.88,;46.28,-36.11,;47.61,-36.87,;48.95,-36.1,;47.62,-38.41,;46.28,-39.18,;46.28,-40.72,;47.61,-41.49,;48.95,-40.72,;48.95,-39.17,;38.28,-39.22,;38.29,-40.75,)|
Oc1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(OCCCCNC(=O)[C@H]2CC[C@@H](CC2)C(F)(F)F)cc1 |r,wU:30.33,wD:33.40,TLB:7:8:10:14.12.13,THB:12:11:8:14.13.15,12:13:10.11.17:8,15:13:10:17.16.8,15:16:10:14.12.13,(.75,-58.04,;2.08,-57.27,;2.08,-55.73,;3.4,-54.96,;4.73,-55.73,;4.74,-57.26,;3.41,-58.04,;6.07,-54.96,;7.41,-55.73,;7.42,-57.23,;6.22,-58.5,;7.73,-58.09,;9.15,-58.65,;10.15,-57.36,;8.74,-57.71,;10.17,-55.83,;8.75,-55.26,;7.72,-56.49,;6.07,-53.42,;7.41,-52.65,;7.41,-51.11,;6.07,-50.34,;6.07,-48.8,;7.4,-48.02,;8.73,-48.79,;10.06,-48.02,;11.4,-48.78,;12.72,-48.01,;14.06,-48.78,;15.4,-48,;14.06,-50.32,;15.4,-51.07,;15.4,-52.62,;14.06,-53.39,;12.73,-52.62,;12.73,-51.08,;14.06,-54.94,;12.71,-55.72,;15.41,-55.72,;14.05,-56.49,;4.73,-51.12,;4.73,-52.65,)|
Oc1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(OCCCCNC(=O)C23CC4CC2CC(C3)C4)cc1 |TLB:7:8:10:14.12.13,35:34:38.36.37:31,THB:15:13:10:17.16.8,15:16:10:14.12.13,35:36:31:33.34,12:11:8:14.13.15,12:13:10.11.17:8|
CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cn[nH]c1 |r,t:1|
CC(=O)Nc1ccc2O[C@H](C(=C(C)c2c1)c1ccc(F)cc1)c1ccc(OCCN2CC(CF)C2)cc1 |r,t:10|
CC1=C([C@@H](Oc2ccc(cc12)N1CCOCC1)c1ccc(OCCN2CC(CF)C2)cc1)c1ccccc1 |r,t:1|
CCC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccc(O)c1 |r,t:2|
Oc1cccc(c1)C1=C(Cl)c2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC(CF)C2)cc1 |r,c:8|
CC1=C(C2CCCCC2)[C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1 |r,c:1|
CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(N)nc1 |r,t:1|
CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1cccnc1 |r,t:1|
CC1=C([C@@H](Oc2ccccc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccccc1 |r,t:1|
CC(=O)N1CCC(CC1)C1=C(C)c2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC(CF)C2)cc1 |r,c:10|
COc1ccc2O[C@H](C(=C(C)c2c1)c1ccc(F)cc1)c1ccc(OCCN2CC(CF)C2)cc1 |r,t:8|
CC1=C([C@@H](Oc2ccc(F)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1 |r,t:1|
CC1=C([C@@H](Oc2cc3[nH]ncc3cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1 |r,t:1|
CC1=C([C@@H](Oc2cc(F)c(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1 |r,t:1|
CC1=C([C@@H](Oc2ccc(O)c(Cl)c12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1 |r,t:1|
CC1=C([C@@H](Oc2c1cccc2O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O
CC1=C([C@@H](Oc2c(O)cccc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1 |r,t:1|
CC1=C([C@@H](Oc2ccc(N)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1 |r,t:1|
CC1=C([C@@H](Oc2ccc(O)c(F)c12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1 |r,t:1|
COC\C=C\C1=C(C)c2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC(CF)C2)cc1 |r,c:5|
CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(=O)[nH]c1 |r,t:1|
CC1=C([C@@H](Oc2ccc(NS(C)(=O)=O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccccc1 |r,t:1|
CC1=C(C2CCC(F)(F)CC2)[C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1 |r,c:1|
CC1=C([C@@H](Oc2cc3cn[nH]c3cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1 |r,t:1|
CC1=C([C@@H](Oc2cc(Cl)c(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(F)cc1 |r,t:1|
Oc1cccc(c1)C1=Cc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC(CF)C2)cc1 |r,t:8|
CC1=C([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1)C1=CCNCC1 |r,t:1,31|
CC1=C(C2CCC(O)CC2)[C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1 |r,wD:10.21,c:1,(67.35,-31.08,;67.35,-32.62,;68.7,-33.4,;70.03,-32.64,;71.37,-33.42,;72.7,-32.65,;72.7,-31.11,;74.04,-30.34,;71.36,-30.34,;70.03,-31.11,;68.7,-34.96,;67.35,-35.73,;66.01,-34.95,;64.68,-35.72,;63.35,-34.95,;63.35,-33.41,;62.02,-32.64,;64.68,-32.64,;66.01,-33.4,;70.02,-35.73,;70.02,-37.27,;71.35,-38.05,;72.68,-37.28,;74.02,-38.05,;75.35,-37.29,;76.68,-38.06,;78.02,-37.29,;79.5,-37.7,;79.9,-36.21,;81.24,-35.44,;82.57,-36.21,;78.42,-35.81,;72.68,-35.73,;71.35,-34.97,)|
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)OC(C)C)c(C)c1
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(N(C)C)c(C)c1
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(\C=C\C(O)=O)c(C)c1
CCc1cc(ccc1O)C(CC)(CC)c1ccc(O)c(CC)c1
CCC(CC)(c1ccc(O)cc1)c1ccc(O)cc1
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(\C=C\C(=O)OCC)c(C)c1
[#6]-[#6](=O)-[#8]-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(-[#8]-[#6](-[#6])=O)cc1
CCCCC(CCCC)(c1ccc(O)cc1)c1ccc(O)cc1
Cc1cc(Cc2ccc(O)c(C)c2)ccc1O
CCCCC(CCCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(NC)c(C)c1
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(NC(C)=O)c(C)c1
[#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccccc1
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCCC(C)C)c(C)c1
c1cc(ccc1Cc2ccc(cc2)O)O
CCCC(CCC)(c1ccc(N)c(C)c1)c1ccc(O)c(C)c1
Cc1cc(ccc1O)C(C)(C)c1ccc(O)c(C)c1
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)OCC)c(C)c1
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)NC)c(C)c1
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)N(C)C)c(C)c1
CCCC(CCC)(c1ccc(O)c(CC)c1)c1ccc(O)c(CC)c1
CCC(CC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
CCCC(CCC)(c1ccc(O)cc1)c1ccc(O)cc1
CC\C(=C(\c1ccc(OCC(O)=O)cc1)c1cccc(O)c1)c1ccccc1
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCC(O)=O)cc1)c1ccccc1
CC\C(=C(\c1ccc(O)cc1)c1cccc(OCC(O)=O)c1)c1ccccc1
[H][C@@]12CC[C@H](O)[C@@]1(C)C[C@H](c1ccc(OCCCCCS(=O)(=O)CCCC(F)(F)C(F)(F)F)cc1)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
[H][C@@]12C[C@@H](C\C=C\CNC3=C4C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)\C=C/C=C(C)/C(=O)NC(=CC3=O)C4=O)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,c:9,22,33,35,t:41|
Cc1c(nn(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1
CC(C)(C#N)c1cc(CSc2ccc(OS(N)(=O)=O)cc2)cc(Cn2cncn2)c1
Oc1ccccc1-c1ccc2nc(cc(=O)n2c1)-c1ccccc1
[H][C@@]12C[C@@H](O)\C(=C\C)[C@@]1(C)CC[C@]1([H])c3ccc(OC)cc3CC[C@@]21[H] |r|
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCNCCCCCCNC(=O)CCC2=[N+]3C(C=C2)=CC2=CC=C(C)C2[B-]3(F)F)cc1)c1ccccc1 |c:34,36,t:31,38,40|
FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc2cc[nH]c2c1
COc1ccc(cc1)S(=O)(=O)Nc1ccc2cc[nH]c2c1
Cc1ccc(cc1)S(=O)(=O)Nc1ccc2cc[nH]c2c1
Clc1ccc(cc1)S(=O)(=O)Nc1ccc2cc[nH]c2c1
Brc1ccc(cc1)C(=O)Nc1ccc2cc[nH]c2c1
Fc1ccc(cc1)C(=O)Nc1ccc2cc[nH]c2c1
Brc1ccc(cc1)S(=O)(=O)Nc1ccc2cc[nH]c2c1
FC(F)(F)c1cccc(c1)C(=O)Nc1ccc2cc[nH]c2c1
Fc1ccc(cc1)S(=O)(=O)Nc1ccc2cc[nH]c2c1
O=C(Nc1ccc2cc[nH]c2c1)c1ccc(cc1)C#N
Cn1nc(C(=O)N(Cc2ccccc2)Cc2ccc(cc2)C(O)=O)c2COc3ccc(Cl)cc3-c12
CCN1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
OCCCC(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1
Cc1ccc(cc1)C(=C(/CCCO)c1ccccc1)c1ccc(cc1)N1CCNCC1
CN1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(Br)cc1
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(Br)cc1
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(C)cc1
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1cccc(O)c1
CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1cccc(Br)c1
OCCCC(=C(/c1ccc(Br)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1
OCCCC(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCCCC1)c1ccccc1
CN1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(C)cc1
CN1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
OCCCC(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCC1)c1ccccc1
CCN1CCN(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(C)cc1
c1cc(ccc1[C@@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF
Oc1ccc2OC(C3=C(CCOc4ccc(O)cc34)c2c1)c1ccc(OCCN2CC(CF)C2)cc1 |t:7|
Oc1ccc2C3=C(C(Oc2c1)c1ccc(OCCN2CC(CF)C2)cc1)c1cc(O)ccc1OCC3 |c:5|
Oc1ccc2C3=C(CCOc2c1)c1cc(O)ccc1OC3c1ccc(OCCN2CC(CF)C2)cc1 |c:5|
c1cc(ccc1[C@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF
Oc1ccc2C3=C(C(Oc2c1)c1ccc(OCCN2CC(CF)C2)cc1)c1ccc(O)cc1OCC3 |c:5|
Oc1ccc2C3=C(C(Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3 |c:5|
C[C@@H](COc1ccc(cc1)C1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2)N1CC[C@@H](CF)C1 |r,c:21|
Oc1ccc2C3=C(C(Oc2c1)c1ccc(OCCN2CC[C@@H](CF)C2)cc1)c1ccc(O)cc1OCC3 |r,c:5|
FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)CCCCn1c(=S)[nH]c2ccccc2c1=O
CCOc1cc(Br)cc(CNNC(=O)c2ccc3OCCOc3c2)c1O
CC(C)NC(=O)CSc1nc2ccc(NC(=O)CSc3cccc(Cl)c3)cc2s1
Clc1ccc(cc1Cl)N1NC(=O)C(Cc2c[nH]c3ccccc23)C1=O
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O)NC(=O)[C@@H](N)CCCCN |r|
CC1=CC[C@]2(CC[C@]([C@@H]2[C@H](C1)OC(=O)c3ccc(cc3)O)(C(C)C)O)C
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O |r|
CP(=O)(c1ccccc1)c1ccc(O)cc1
C[Si](C)(c1ccccc1)c1ccc(O)cc1
CP(c1ccccc1)c1ccc(O)cc1
Oc1ccc(cc1)P(=S)(c1ccccc1)c1ccccc1
Oc1ccc(cc1)P(=[Se])(c1ccccc1)c1ccccc1
Oc1ccc(cc1)P(c1ccccc1)c1ccccc1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OC2CN(C[C@H]3C[C@H]3F)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OC2CN(C[C@H]3C[C@@H]3F)C2)cc1F |r|
Cc1c(-c2ccc(O)cc2)n(CCCCCCN2CCCC2)c2ccc(O)cc12
c1cc(ccc1C(c2ccc(cc2)O)(C(F)(F)F)C(F)(F)F)O
CC(c1ccc(cc1)O)c2ccc(cc2)O
Oc1ccc(cc1)C(c1ccc(O)cc1)C(F)(F)F
c1cc(ccc1C(c2ccc(cc2)O)C(Cl)(Cl)Cl)O
Oc1ccc(cc1)C(c1ccc(O)cc1)C(Br)(Br)Br
COC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccccc1 |c:4|
CCOC(=O)C1C(c2ccccc2)c2ccc(O)cc2OC1=N
NC1=C(C#N)C(c2ccccc2)c2ccc(O)cc2O1 |c:1|
COC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(O)cc1 |c:4|
CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCc2ccccc2)cc1 |c:5|
COC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1 |c:4|
CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1 |c:5|
NC1=C(C#N)C(c2ccc(OCCN3CCCC3)cc2)c2ccc(O)cc2O1 |c:1|
CCCCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1 |c:7|
CC(C)(C)OC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1 |c:7|
COC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCCC2)cc1 |c:4|
CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCCC2)cc1 |c:5|
NC1=C(C#N)C(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2O1 |c:1|
CCCCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCCC2)cc1 |c:7|
CC(C)(C)OC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCCCC2)cc1 |c:7|
COC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCOCC2)cc1 |c:4|
CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc(OCCN2CCOCC2)cc1 |c:5|
NC1=C(C#N)C(c2ccc(OCCN3CCOCC3)cc2)c2ccc(O)cc2O1 |c:1|
CCCN(Cc1ccccn1)c1cc(cc(n1)-c1ccc(O)cc1)-c1ccccc1
CN(CCc1ccccc1)c1cc(cc(n1)-c1ccc(O)cc1)-c1ccc(O)cc1
CN(CCc1ccccc1)c1cc(cc(n1)-c1ccc(O)c(C)c1)-c1ccccc1
Cc1cc(ccc1O)-c1cc(cc(n1)N1CCC(Cc2ccccc2)CC1)-c1ccccc1
CC(C)CN(C)c1cc(cc(n1)-c1ccc(O)c(C)c1)-c1ccccc1
CC(C)CN(C)c1cc(cc(n1)-c1ccc(O)cc1)-c1ccccc1
CN(CCc1ccccn1)c1cc(cc(n1)-c1ccc(O)c(C)c1)-c1ccccc1
CCN(Cc1ccncc1)c1cc(cc(n1)-c1ccc(O)c(C)c1)-c1ccccc1
CN(Cc1cccc2ccccc12)c1cc(cc(n1)-c1ccc(O)c(C)c1)-c1ccccc1
CCOCCN(CCOCC)c1cc(cc(n1)-c1ccc(O)c(C)c1)-c1ccccc1
CN(CCc1ccccc1)c1cc(cc(n1)-c1ccc(O)cc1)-c1ccccc1C
CN(Cc1ccccc1)c1cc(cc(n1)-c1ccc(O)c(C)c1)-c1ccccc1
CN(CCc1ccccc1)c1cc(cc(n1)-c1ccc(O)cc1)-c1ccccc1
CCCCN(C)c1cc(cc(n1)-c1ccc(O)c(C)c1)-c1ccccc1
CCCN(Cc1ccccn1)c1cc(cc(n1)-c1ccc(O)c(C)c1)-c1ccccc1
Cc1cc(ccc1O)-c1cc(cc(n1)N(CCc1ccccc1)Cc1ccccc1)-c1ccccc1
CCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1
CCc1c(oc(c1-c1ccc(OC)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1
CCc1c(oc(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(OCCN2CCCCC2)cc1
CCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccccc1
CCCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1
Cc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1
CCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccccc1)-c1ccc(O)cc1
[#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccccc1
Oc1ccc(CC(C#C)c2ccc(O)cc2)cc1
Oc1ccc(C[C@@H](CC#N)c2ccc(O)cc2)cc1
COC(=O)C(Cc1ccc(O)cc1)c1ccc(O)cc1
CC(Cc1ccc(O)cc1)(C#N)c1ccc(O)cc1
Oc1ccc(\C=C(/C#N)c2ccc(O)cc2)cc1
C[C@@H]([C@@H](C#N)c1ccc(O)cc1)c1ccc(O)cc1
Oc1ccc(cc1)C(C#N)C(C#N)c1ccc(O)cc1
CC[C@@H]([C@@H](C#N)c1ccc(O)cc1)c1ccc(O)cc1
Oc1ccc(CC(c2ccc(O)cc2)C(F)(F)C(F)(F)F)cc1
Oc1ccc(CC(c2ccc(O)cc2)C(F)(F)F)cc1
Cc1cc(O)ccc1C(Cc1ccc(O)cc1)C#N
Cc1cc(O)ccc1CC(C#N)c1ccc(O)cc1
Oc1ccc(cc1)C(C#N)C(C#N)c1cccc(O)c1
Oc1ccc(CC(C(=O)C(F)(F)F)c2ccc(O)cc2)cc1
Oc1ccc(CC(C#N)(C#N)c2ccc(O)cc2)cc1
CC(=O)C(Cc1ccc(O)cc1)c1ccc(O)cc1
Oc1ccc(cc1)C(C#C)C(C#C)c1ccc(O)cc1
CC#CC(Cc1ccc(O)cc1)c1ccc(O)cc1
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1cnc(nc1)N1CCC(CCN2CCN(CC2)c2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)CC1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1cnc(nc1)N1CCC(CC1)OCCN1CCN(CC1)c1ccc2C(=O)N(Cc2c1)C1CCC(=O)NC1=O |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCCCCN2CCN(CC2)c2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1cnc(nc1)N1CCC(CN2CCN(CC3CCN(CC3)c3ccc4C(=O)N(Cc4c3)C3CCC(=O)NC3=O)CC2)CC1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1cnc(nc1)N1CCC2(CCN(CCC3CCN(CC3)c3ccc4C(=O)N(Cc4c3)C3CCC(=O)NC3=O)CC2)CC1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1cnc(nc1)N1CCC(CCN2CCC3(CC2)CCN(CC3)c2ccc3C(=O)N(Cc3c2)C2CCC(=O)NC2=O)CC1 |r|
COc1cc(cc2CN(C3CCC(=O)NC3=O)C(=O)c12)N1CCN(CCC2CCN(CC2)c2ncc(cn2)[C@H]2N(CC(C)(C)F)[C@H](C)Cc3c2[nH]c2ccccc32)CC1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1cnc(nc1)N1CCC(CN2CCOC3(CCN(CC3)c3ccc4C(=O)N(Cc4c3)C3CCC(=O)NC3=O)CC2)CC1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1cnc(nc1)N1CCC(CCN2CCOC3(CCN(CC3)c3ccc4C(=O)N(Cc4c3)C3CCC(=O)NC3=O)CC2)CC1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1cnc(nc1)N1CCC2(CC(CN3CC4(C3)CCN(CC4)c3ccc4C(=O)N(Cc4c3)C3CCC(=O)NC3=O)C2)CC1 |r|
COc1cc(cc2CN(C3CCC(=O)NC3=O)C(=O)c12)N1CCN(CC2CCN(CC2)c2ncc(cn2)[C@H]2N(CC(C)(C)F)[C@H](C)Cc3c2[nH]c2ccccc32)CC1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1cnc(OC2CCC3(CC2)CCN(CC2CCN(CC2)c2ccc4C(=O)N(Cc4c2)C2CCC(=O)NC2=O)CC3)nc1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(O[C@H]2CCN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(cn1)N(C)[C@H]1CCN(CCCF)C1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(N[C@H]2CCN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2(C)CN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NCCNCCCF)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ccc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(OCCN2CC(CF)C2)cn1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC1(F)CC1)c1ccc(NCCNCCCF)cn1 |r|
COc1cc(OCCNCCCF)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C)[C@H](C)CCC(O)=O |r|
OCCCC(=C(/c1ccc(O)cc1)c1ccc2oc(CCN3CCCCC3)cc2c1)c1ccccc1
C[Si](C)(CN1CCCC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
C[Si](C)(CN1CCCCC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
OCCCC(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCC3(CCNC3)C2)cc1)c1ccccc1
[H][C@@]12CNC[C@]1([H])CN(CCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1)C2
[H][C@]12C[C@@]1([H])[C@@H](CO)N(CCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1)C2
CN1CCCC1CCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(Br)cc1
CN1CCC[C@H]1COc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(Br)cc1
CN1CCC[C@@H]1CCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CN1CCC[C@H]1CCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CN1CCC[C@@H]1COc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CN1CCC[C@H]1COc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
OCCCC(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1
CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
CCC(=C(c1ccc(O)cc1)c1ccc(C=CC(=O)NCCN)cc1)c1ccccc1
[#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
[#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
[#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
[#8]-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
CC1=C(N(Cc2ccc(OCCN3CCCCCC3)cc2)C2C=CC(O)=CC12)c1ccc(O)cc1 |c:24,27,t:1|
NC(=O)N1N=C(CC1c1cn(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(Br)cc12)c1ccc(cc1)C(F)(F)F |c:4|
CC\C(=C(\CC)c1ccc(OCCCC(=O)NCc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1)c1ccc(O)cc1 |(2.39,-7.45,;2.41,-8.99,;3.74,-9.75,;5.07,-8.97,;6.42,-9.73,;6.42,-11.27,;5.06,-7.43,;3.72,-6.67,;3.72,-5.13,;5.04,-4.35,;5.02,-2.81,;6.35,-2.04,;7.7,-2.8,;9.03,-2.01,;10.37,-2.78,;10.37,-4.32,;11.7,-2.01,;13.03,-2.76,;13.04,-4.3,;11.71,-5.09,;11.72,-6.63,;13.05,-7.37,;14.38,-6.61,;14.38,-5.07,;15.94,-7.19,;16.99,-6.02,;16.82,-8.17,;13.07,-8.91,;11.74,-9.69,;10.41,-8.92,;9.08,-9.69,;9.08,-11.23,;7.73,-12,;10.41,-12,;11.74,-11.23,;13.07,-12,;14.4,-11.22,;15.75,-11.98,;17.09,-11.21,;18.18,-12.3,;17.06,-9.64,;15.73,-8.9,;14.4,-9.67,;6.38,-5.11,;6.4,-6.63,;3.76,-11.29,;5.09,-12.04,;5.12,-13.58,;3.79,-14.36,;3.8,-15.9,;2.43,-13.6,;2.43,-12.06,)|
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1C
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1Cl
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1C#N
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1C(F)(F)F
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1OC(F)(F)F
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1cccc(C)c1
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1cccc(c1)C(F)(F)F
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1cccc(OC(F)(F)F)c1
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccc(Cl)cc1
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccc(OC)cc1
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1cccc(Cl)c1Cl
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1cccc(F)c1C#N
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccc(F)cc1Cl
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccc(Cl)cc1Cl
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1Cl)C#N
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1Cl)C(F)(F)F
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccc(Cl)cc1C#N
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccc(Cl)cc1C(F)(F)F
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1cc(Cl)ccc1Cl
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)C#N
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)C(F)(F)F
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1c(C)cccc1Cl
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccc(Cl)c(C)c1
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccc(Cl)c(c1)C(F)(F)F
OCCCC(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CNC1)c1ccccc1
OCCCC(=C(/c1ccc(Br)cc1)c1ccc(cc1)C1CNC1)c1ccccc1
Cc1ccc(cc1)C(=C(/CCCO)c1ccccc1)c1ccc(cc1)C1CNC1
OCCCC(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CN(C1)C1CC1)c1ccccc1
Oc1ccc(cc1)C(=C(/CCCF)c1ccccc1)c1ccc(cc1)C1CNC1
OCCCC(=C(c1ccc(cc1)C1CCN(C1)C1CC1)c1cccc(O)c1)c1ccccc1
CC(C)N1CCC(C1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
OCCCC(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CCNCC1)c1ccccc1
CN1CCC(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1cccc(O)c1
CCN1CCC(CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1cccc(O)c1
CC(C)N1CCC(=CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1cccc(O)c1
CC(C)N1CCC(=CC1)c1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
OCCCC(=C(/c1ccc(O)cc1)c1ccc(cc1)C1=CCN(CC1)C1CC1)c1ccccc1
CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(CCCO)c1ccc(F)cc1)c1ccc(O)cc1
CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(CCCO)c1ccc(F)cc1F)c1ccc(O)cc1
Nc1ccc(cc1)C(=C(/CCCO)c1ccccc1)c1ccc(cc1)C1CCN(CC1)C1CC1
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCC[S@+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]21[H] |r|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCC[S@@](=N)(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H] |r|
Cc1ccc(C(=O)c2oc3cc(O)ccc3c2-c2cccc3ccccc23)c(C)c1 |(14.19,-11.62,;13.4,-10.29,;11.86,-10.29,;11.09,-8.96,;11.88,-7.63,;11.11,-6.3,;11.88,-4.96,;9.57,-6.3,;8.66,-7.55,;7.2,-7.07,;5.86,-7.85,;4.53,-7.08,;3.18,-7.85,;4.53,-5.53,;5.86,-4.76,;7.2,-5.53,;8.66,-5.05,;9.13,-3.58,;10.64,-3.27,;11.12,-1.8,;10.09,-.66,;8.57,-.99,;7.55,.13,;6.05,-.17,;5.59,-1.66,;6.61,-2.78,;8.11,-2.45,;13.4,-7.62,;14.17,-6.29,;14.17,-8.95,)|
Oc1ccc2c(c(oc2c1)C(=O)c1ccc(Br)cc1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-7.54,;12.84,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)|
COc1ccccc1Cc1c(oc2cc(O)ccc12)C(=O)c1ccccc1Cl
Oc1ccc(cc1)C(=O)c1oc2cc(O)ccc2c1-c1cccc2ccccc12 |(9.95,-10.72,;9.17,-9.38,;7.62,-9.38,;6.85,-8.05,;7.63,-6.72,;9.17,-6.71,;9.94,-8.03,;6.86,-5.39,;7.63,-4.05,;5.32,-5.39,;4.4,-6.62,;2.95,-6.16,;1.6,-6.93,;.27,-6.16,;-1.08,-6.93,;.27,-4.61,;1.6,-3.84,;2.95,-4.61,;4.4,-4.12,;4.89,-2.67,;6.39,-2.35,;6.87,-.87,;5.85,.27,;4.33,-.05,;3.3,1.07,;1.8,.74,;1.33,-.73,;2.36,-1.86,;3.86,-1.53,)|
Cc1ccc(C(=O)c2oc3cc(O)ccc3c2-c2ccccc2)c(C)c1
Oc1ccc2c(c(oc2c1)C(=O)c1ccccc1)-c1ccccc1
Oc1ccc2c(c(oc2c1)C(=O)c1ccccc1Cl)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-4.86,;12.07,-3.53,;12.83,-2.2,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)|
Oc1ccc2c(c(oc2c1)C(=O)c1ccc(OC(F)F)cc1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-7.54,;12.07,-8.87,;12.84,-10.2,;10.53,-8.87,;12.84,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)|
Oc1ccc2c(c(oc2c1)C(=O)c1cccc(OCCN2CCCCC2)c1)-c1cccc2ccccc12 |(-6.44,-12.74,;-5.11,-11.97,;-5.11,-10.43,;-3.78,-9.66,;-2.44,-10.43,;-.98,-9.94,;-.07,-11.2,;-.98,-12.44,;-2.44,-11.97,;-3.78,-12.74,;1.47,-11.2,;2.24,-9.85,;2.24,-12.53,;1.47,-13.86,;2.24,-15.19,;3.78,-15.19,;4.55,-13.84,;6.09,-13.84,;6.86,-15.17,;8.4,-15.17,;9.18,-16.5,;10.72,-16.47,;11.5,-17.81,;10.74,-19.16,;9.2,-19.16,;8.41,-17.83,;3.78,-12.51,;-.51,-8.48,;1,-8.17,;1.48,-6.7,;.45,-5.55,;-1.07,-5.89,;-2.09,-4.76,;-3.59,-5.09,;-4.04,-6.56,;-3.01,-7.68,;-1.53,-7.35,)|
Oc1ccc2c(c(oc2c1)C(=O)c1cccc(Br)c1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-4.86,;14.38,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)|
Oc1ccc2c(c(oc2c1)C(=O)c1ccc2OCCOc2c1)-c1cccc2ccccc12 |(-3.42,-6.75,;-2.09,-5.98,;-2.09,-4.44,;-.76,-3.67,;.59,-4.44,;2.04,-3.95,;2.95,-5.21,;2.04,-6.45,;.59,-5.98,;-.76,-6.75,;4.49,-5.21,;5.26,-3.86,;5.26,-6.54,;4.49,-7.87,;5.26,-9.2,;6.8,-9.2,;7.57,-10.53,;9.11,-10.53,;9.88,-9.18,;9.11,-7.85,;7.57,-7.85,;6.8,-6.52,;2.53,-2.48,;4.02,-2.18,;4.51,-.71,;3.48,.44,;1.97,.11,;.94,1.23,;-.55,.91,;-1.02,-.57,;.01,-1.69,;1.5,-1.36,)|
COc1ccccc1Cc1c(oc2cc(O)ccc12)C(=O)c1ccc(C)cc1C
Oc1ccc2c(c(oc2c1)C(=O)c1ccc(cc1)-c1ccccc1)-c1cccc2ccccc12 |(3.18,-7.85,;4.53,-7.08,;4.53,-5.53,;5.86,-4.76,;7.2,-5.53,;8.66,-5.05,;9.57,-6.3,;8.66,-7.55,;7.2,-7.07,;5.86,-7.85,;11.11,-6.3,;11.88,-4.96,;11.88,-7.63,;13.4,-7.62,;14.17,-8.95,;13.4,-10.29,;11.86,-10.29,;11.09,-8.96,;14.19,-11.62,;15.72,-11.61,;16.5,-12.94,;15.73,-14.28,;14.19,-14.28,;13.42,-12.95,;9.13,-3.58,;10.64,-3.27,;11.12,-1.8,;10.09,-.66,;8.57,-.99,;7.55,.13,;6.05,-.17,;5.59,-1.66,;6.61,-2.78,;8.11,-2.45,)|
Oc1ccc2c(c(oc2c1)C(=O)c1ccccc1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)|
Oc1ccc2c(c(oc2c1)C(=O)c1ccccc1Cl)-c1ccccc1
Oc1ccc2c(c(oc2c1)C(=O)c1ccc(F)cc1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-7.54,;12.84,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)|
Oc1ccc2c(c(oc2c1)C(=O)c1cccc(F)c1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-4.86,;14.38,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)|
Oc1ccc2c(c(oc2c1)C(=O)c1ccc2OCCCOc2c1)-c1cccc2ccccc12 |(-4.19,-6.1,;-2.85,-5.33,;-2.85,-3.79,;-1.52,-3.02,;-.18,-3.79,;1.28,-3.3,;2.19,-4.56,;1.28,-5.79,;-.18,-5.33,;-1.52,-6.1,;3.73,-4.56,;4.5,-3.2,;4.5,-5.89,;3.72,-7.22,;4.49,-8.55,;6.03,-8.55,;6.59,-9.97,;8.06,-10.41,;9.34,-9.54,;9.43,-8.01,;8.31,-6.96,;6.8,-7.19,;6.03,-5.86,;1.76,-1.83,;3.27,-1.52,;3.74,-.05,;2.71,1.09,;1.2,.76,;.17,1.88,;-1.32,1.56,;-1.79,.09,;-.76,-1.03,;.73,-.71,)|
CCCCCc1c(oc2cc(O)ccc12)C(=O)c1ccccc1Cl
Oc1ccc2c(c(oc2c1)C(=O)c1ccc(OCCN2CCCCC2)cc1)-c1cccc2ccccc12 |(-1.08,-2.25,;.27,-1.48,;.27,.06,;1.6,.83,;2.95,.06,;4.4,.55,;5.32,-.71,;4.4,-1.95,;2.95,-1.48,;1.6,-2.25,;6.86,-.71,;7.63,.63,;7.63,-2.04,;9.17,-2.03,;9.94,-3.35,;9.17,-4.71,;9.95,-6.04,;9.17,-7.37,;9.95,-8.71,;9.17,-10.05,;9.96,-11.39,;9.17,-12.73,;7.62,-12.74,;6.85,-11.39,;7.62,-10.05,;7.62,-4.71,;6.85,-3.37,;4.89,2.01,;6.39,2.33,;6.87,3.8,;5.85,4.95,;4.33,4.61,;3.3,5.74,;1.8,5.42,;1.33,3.94,;2.36,2.82,;3.86,3.15,)|
[#7]-c1ccc(cc1)-[#6](\[#6]-n1ccnc1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](=[#6](\[#6]-n1ccnc1)-c1ccc(-[#8])c(F)c1)\c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](\[#6]-n1cnnc1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](\[#6]-n1ccnc1)=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](=[#6](\[#6]-n1ccnc1)-c1ccccc1)\c1ccc(-[#8])cc1
Oc1ccc(C[C@]2(CCc3cc(O)ccc23)C#N)cc1 |r|
Oc1ccc(C[C@@]2(CCc3cc(O)ccc23)C#N)cc1 |r|
Oc1ccc(C[C@@H]2CCc3cc(O)ccc23)cc1 |r|
Oc1ccc(C[C@H]2CCc3cc(O)ccc23)cc1 |r|
Oc1ccc(CC2(CC#N)CCc3cc(O)ccc23)cc1
Oc1ccc2c(CCC2(Cc2ccc(O)c(F)c2)C#N)c1
Cc1cc(O)ccc1CC1(CCc2cc(O)ccc12)C#N
Oc1ccc2c(CCC2(Cc2ccc(O)cc2Cl)C#N)c1
Oc1ccc2c(CCC2(Cc2ccc(O)cc2F)C#N)c1
Oc1ccc(CC2(CCc3cc(O)ccc23)C#N)cc1
CCCC1(Cc2ccc(O)cc2)CCc2cc(O)ccc12
CCC1(Cc2ccc(O)cc2)CCc2cc(O)ccc12
CC1(Cc2ccc(O)cc2)CCc2cc(O)ccc12
CCC(C1CCc2cc(O)ccc12)c1ccc(O)cc1
Oc1ccc(CC2CCCCc3cc(O)ccc23)cc1
Oc1ccc(CC2CCCc3cc(O)ccc23)cc1
Oc1ccc(CC2CCc3ccc(O)cc23)cc1
Oc1ccc(CC2CCc3c2cccc3O)cc1
Oc1ccc2C(Cc3cccc(O)c3)CCc2c1
Oc1ccc(CC2CCc3cc(O)ccc23)cc1
CCC(Cc1ccc(O)cc1)c1ccc(O)cc1
[#6]-[#6]-[#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccccc1
CC\C(=C(/c1ccccc1)c1ccc(O)cc1)c1ccccc1
[#6]-[#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccccc1
[#8]-c1ccc(cc1)-[#6](=[#6](\[#6]C(F)(F)F)-c1ccccc1)\c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](=[#6]\c1ccccc1)\c1ccc(-[#8])cc1
[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccccc1
CN(C[C@@H]1C[C@H]1c1ccccc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
CN1CCN(CC1)c1nc(NCCCc2ccccc2)nc(NC2CCc3cc(O)ccc3C2)n1
CN(CCCc1ccc(F)c(F)c1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CCO)CC1
CN1CCN(CC1)c1nc(NCCc2ccc(O)cc2)nc(SCCCc2ccccc2)n1
CN1CCN(CC1)c1nc(NCCc2ccc(O)cc2)nc(OCCCc2ccccc2)n1
CN1CCN(CC1)c1nc(NCCCc2ccccc2)nc(n1)N1CCCC(C1)c1ccc(O)cc1
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC(=O)c2ccccc2)CC1
Oc1ccc(CCNc2nc(NCCCc3ccc(Cl)cc3)nc(n2)N2CCNCC2)cc1
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(C)CC1
Oc1ccc(CCNc2nc(NC\C=C\c3ccccc3)nc(n2)N2CCNCC2)cc1
CN(CCCc1ccc(Cl)cc1Cl)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(Cc2csc(C)n2)CC1
Oc1ccc(CCNc2nc(NCCCc3ccccc3)nc(n2)N2CCNCC2)cc1
CN(CCOc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC1)C(=O)Nc1ccc(Cl)cc1
CN(CCCc1ccc2OCOc2c1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
CN1CCN(CC1)c1nc(NCCCc2ccccc2)nc(NC2CCc3ccc(O)cc3C2)n1
Oc1ccc(CCNc2nc(NCCc3ccccc3)nc(n2)N2CCNCC2)cc1
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC1)C(=O)CCc1ccccc1
Oc1ccc(CCNc2nc(SCCOc3ccc(Cl)cc3)nc(n2)N2CCNCC2)cc1
CN1CCN(CC1)c1nc(NCCCc2ccccc2)nc(n1)N1CCc2cc(O)ccc2C1
CN1CCN(CC1)c1nc(NCCc2ccc(O)cc2)nc(NC2CCc3ccccc23)n1
CN(CCCc1ccc(F)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
CN(CCCc1ccc(cc1)C#N)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
CN1CCN(CC1)c1nc(NCCCc2ccccc2)nc(NCCc2cccc(O)c2)n1
CCN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC(=O)C(C)(C)C)CC1
c1cc(ccc1CCNc2nc(nc(n2)SCCCc3ccc(cc3)Cl)N4CCNCC4)O
CC(C)S(=O)(=O)N1CCN(CC1)c1nc(NCCc2ccc(O)cc2)nc(n1)N(C)CCCc1ccc(Cl)cc1
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(Cc2ccccc2)CC1
CN(C[C@@H]1C[C@@H]1c1ccccc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
CN(C)C(=O)CN1CCN(CC1)c1nc(NCCc2ccc(O)cc2)nc(n1)N(C)CCCc1ccc(Cl)cc1
CCN(CC)C(=O)N1CCN(CC1)c1nc(NCCc2ccc(O)cc2)nc(n1)N(C)CCCc1ccc(Cl)cc1
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC1)C(=O)N1CCOCC1
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC1)c1ccccc1
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(Cc2ccccn2)CC1
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(Cc2cccnc2)CC1
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC1)C(=O)COc1ccccc1
C[C@H]1CN(C[C@@H](C)N1)c1nc(NCCc2ccc(O)cc2)nc(n1)N(C)CCCc1ccc(Cl)cc1
CN(CCCc1ccc(cc1)C(F)(F)F)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
CN1CCN(CC1)c1nc(NCCCc2ccccc2)nc(NCCc2ccc(O)cc2)n1
CN(CCCc1ccccc1Cl)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC1)S(=O)(=O)\C=C\c1ccccc1
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(Cc2ccncc2)CC1
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC=C)CC1
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC1)S(=O)(=O)Cc1ccccc1
CN1CCN(CC1)c1nc(NCCCCc2ccccc2)nc(NCCc2ccc(O)cc2)n1
CCC(=O)CCN1CCN(CC1)c1nc(NCCc2ccc(O)cc2)nc(n1)N(C)CCCc1ccc(Cl)cc1
CN(CCCC1CCCCC1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCN(CC1)C1CCCC1
COc1ccc(cc1)C(=O)N1CCN(CC1)c1nc(NCCc2ccc(O)cc2)nc(n1)N(C)CCCc1ccc(Cl)cc1
CN(CCCc1ccc(C)cc1)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
CN1CCN(CC1)c1nc(NCCCc2ccccc2)nc(NCc2ccc(O)cc2)n1
Cc1ccccc1C(OC(c1ccccc1C)c1ccccc1C)c1ccccc1C
CN1c2ccccc2C2(C)CCCC3Cc4cc(Br)cc(Br)c4OC123
Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccccc2C1 |t:8|
Oc1ccc2c(C=C(c3cccc(O)c3)C22Cc3ccccc3C2)c1 |t:6|
CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc12 |c:1|
Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccc(OCCN3CCCCC3)cc2C1 |t:8|
Oc1ccc2C=C(c3cccc(O)c3)C3(Cc4ccccc4C3)c2c1 |t:5|
C1c2ccccc2CC11C(=Cc2ccccc12)c1ccccc1 |c:11|
Oc1ccc2c(C=C(c3ccccc3)C22Cc3ccccc3C2)c1 |t:6|
Oc1ccc2CC3(Cc2c1)C(=Cc1ccccc31)c1ccccc1 |c:12|
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O
[H][C@@]12CC[C@@](O)(c3cn(nn3)-c3ccccc3)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
[H][C@@]12CC[C@@](O)(c3cn(Cc4ccccc4)nn3)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
[H][C@@]12CC[C@@](O)(c3cn(nn3)-c3ccc(O)cc3)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
[H][C@@]12CC[C@@](O)(c3cn(nn3)-c3cccc(O)c3)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
[H][C@@]12CC[C@@](O)(c3cn(CCO)nn3)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1(C#N)c3ccc(O)cc3CC[C@@]21[H] |r|
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1(C#N)c3ccc(O)cc3CC[C@@]21[H] |r|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1(C#N)c3ccc(O)cc3CC[C@@]21[H] |r|
C[C@@H]1Cc2c(cc(F)c3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
C[C@@H]1Cc2c([C@H](N1CC(F)(F)F)c1ccc(NC3CN(CCCF)C3)cn1)c(F)cc1[nH]ncc21 |r|
COc1cc2[nH]ncc2c2C[C@@H](C)N(CC(F)(F)F)[C@H](c3ccc(NC4CN(CCCF)C4)cn3)c12 |r|
C[C@@H]1Cc2c([C@H](N1CC(F)(F)F)c1ccc(NC3CN(CCCF)C3)cn1)c(O)cc1[nH]ncc21 |r|
Oc1ccc-2c(CN(c3ccc(OCCN4CCCCC4)cc3)c3c-2ccc2cc(O)ccc32)c1
Oc1ccc(Sc2oc3cc(O)ccc3c(=O)c2-c2ccc(O)cc2)cc1
Oc1ccc(cc1)-c1c(Sc2ccc(OCCN3CCCCC3)cc2)oc2cc(O)ccc2c1=O
Oc1ccc(cc1)-c1c(oc2cc(O)ccc2c1=O)C(=O)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)-c1c(Oc2ccc(OCCN3CCCCC3)cc2)oc2cc(O)ccc2c1=O
Oc1ccc(Oc2oc3cc(O)ccc3c(=O)c2-c2ccc(O)cc2)cc1
Oc1cccc(c1)C1CCc2cc(O)ccc2N1C(=O)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCC2)cc1
Oc1ccc(cc1)-c1ccc2cc(O)ccc2n1
Oc1ccc2N(C(CCc2c1)c1ccccc1)C(=O)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc2N(Cc3ccc(OCCN4CCCCC4)cc3)C(CCc2c1)c1ccccc1
Oc1cccc(c1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)C1CCc2cc(O)ccc2N1
Oc1ccc(cc1)C1CCc2cc(O)ccc2N1c1ccc(OCCN2CCCC2)cc1
Oc1ccc(cc1)C1CCc2cc(O)ccc2N1c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)C1CCc2cc(O)ccc2N1Cc1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)C1CCc2cc(O)ccc2N1C(=O)c1ccc(OCCN2CCCCC2)cc1
CC1=CC[C@@]2(CO)COC([C@@H]1C2)c1ccc(O)cc1 |t:1|
OC[C@]12CC[C@H]([C@H](C1)C=CC2)c1ccc(O)cc1 |c:9|
Oc1ccc2c(c1)oc1c2oc2cc(O)ccc2c1=O
Oc1ccc2c(c1)oc1c3cc(O)cc(C#N)c3oc1c2=O
Oc1ccc2c(c1)oc1c2oc2ccccc2c1=O
COc1cc(O)c2c(c1)oc1oc3cc(O)ccc3c1c2=O
Oc1ccc2oc3c(oc4cc(O)cc(O)c4c3=O)c2c1
Oc1ccc2oc3c(oc4cc(O)ccc4c3=O)c2c1
Oc1ccc2c(c1)oc1c2oc2cc(O)cc(O)c2c1=O
Oc1cc(Br)c2oc3c(oc4cc(O)cc(O)c4c3=O)c2c1
Oc1cc(O)c2c(c1)oc1c3ccccc3oc1c2=O
Oc1ccc2oc3c(oc4ccc(O)cc4c3=O)c2c1
c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O
Oc1ccc2c(c1)oc1c3ccccc3sc1c2=O
Oc1cc(C#N)c2oc3c(oc4cc(O)cc(O)c4c3=O)c2c1
Oc1ccc2c(c1)oc1c3cc(O)cc(Br)c3oc1c2=O
Oc1ccc2c(c1)oc1c2oc2ccc(O)cc2c1=O
Oc1cc2oc3c4ccccc4sc3c(O)c2c(=O)c1
Oc1ccc2c(c1)oc1c3ccccc3oc1c2=O
CC1C(Oc2ccc(O)cc2C1=O)c1ccc(O)cc1
Oc1ccc(cc1)-c1ccc(cc1)-c1ccc(O)cc1
Oc1ccc(cc1)-c1cc(cc(c1)-c1ccc(O)cc1)-c1ccc(O)cc1
Oc1ccc(cc1)-c1cccc(c1)-c1ccc(O)cc1
COc1ccc(cc1)C1Oc2ccc(O)cc2C(=O)C1C
COc1ccc(cc1)-c1cccc(c1)-c1ccc(OC)cc1
CNc1c(CN=O)ccc(-c2ccccc2)c1-c1ccccc1
O=NCc1ccc(-c2ccccc2)c(c1)-c1ccccc1
CCNc1c(CN=O)ccc(-c2ccccc2)c1-c1ccccc1
Oc1c(CN=O)ccc(-c2ccccc2)c1-c1ccccc1
Nc1c(CN=O)ccc(-c2ccccc2)c1-c1ccccc1
C[C@]12CCc3c(sc4cc(O)ccc34)[C@@H]1CC[C@H]2O
C[C@@]12CCc3c(sc4cc(O)ccc34)[C@@H]1CC[C@H]2O
C[C@]12CCc3c(sc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
C[C@@]12CCc3c(sc4cc(O)ccc34)[C@H]1CC[C@H]2O
C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@H]2O
C[C@]12CCc3c(sc4cc(O)ccc34)[C@H]1CC[C@@H]2O
CN(c1ccccc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:18|
CN(c1ccc(C)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:19|
CN(c1cccc(C)c1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:19|
COc1ccc(cc1)N(C)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:20|
COc1cccc(c1)N(C)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:20|
CN(c1ccc(O)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:19|
CN(c1ccccc1Cl)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:19|
CN(c1ccc(Cl)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:19|
CN(c1cccc2ccccc12)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:23|
CCN(c1ccccc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:19|
CCN(c1ccc(C)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:20|
CCN(c1cccc(C)c1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:20|
CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:21|
CCN(c1cccc(OC)c1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:21|
CCN(c1ccc(O)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:20|
CCN(c1ccccc1Cl)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:20|
CCN(c1ccc(Cl)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:20|
CCN(c1ccccc1Br)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:20|
OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)N(CC(F)(F)F)c1ccccc1)c1ccc(O)cc1 |t:19|
Cc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:23|
Cc1cccc(c1)N(CC(F)(F)F)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:23|
COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:24|
COc1cccc(c1)N(CC(F)(F)F)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:24|
OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)N(Cc1ccccc1)CC(F)(F)F)c1ccc(O)cc1 |t:19|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)N(CC(F)(F)F)c1ccccc1)c1ccc(O)cc1 |t:8|
Cc1cccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(NC(=O)CCCCCCC(O)=O)cc2)c1 |c:16|
OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1cccc2ccccc12)c1ccc(O)cc1 |t:19|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccccc1)c1ccc(O)cc1 |t:8,TLB:24:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
CO[C@@H](COc1ccc(cc1)[N+]([O-])=O)n1c(cc2ccc(OC)c(OC)c2c1=O)-c1ccc2OCOc2c1 |r|
CO[C@H](COc1ccc(cc1)[N+]([O-])=O)n1c(cc2ccc(OC)c(OC)c2c1=O)-c1ccc2OCOc2c1 |r|
OC(=O)c1cc(c2cc(ccc2n1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)CC1)C(F)(F)F |c:20,(46.96,-23.25,;46.47,-24.71,;47.49,-25.87,;44.96,-25.01,;44.46,-26.48,;42.95,-26.78,;41.94,-25.62,;40.43,-25.91,;39.43,-24.74,;39.93,-23.29,;41.43,-22.99,;42.44,-24.16,;43.95,-23.86,;37.92,-25.03,;37.41,-26.48,;35.91,-26.76,;34.9,-25.6,;33.89,-24.44,;32.72,-25.45,;33.74,-26.62,;31.19,-25.35,;30.71,-23.88,;29.16,-23.89,;28.69,-25.36,;29.95,-26.26,;29.96,-27.8,;28.63,-28.57,;27.29,-27.8,;28.63,-30.11,;29.96,-30.88,;31.3,-30.11,;31.29,-28.56,;32.62,-27.79,;31.6,-22.64,;33.01,-22.01,;31.76,-21.1,;35.4,-24.15,;36.91,-23.86,;42.45,-28.23,;43.47,-29.39,;40.97,-27.83,;41.68,-29.57,)|
C[C@@H]1Cc2c([nH]c3cccnc23)[C@H](N1CC(C)(C)F)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
C[C@@H](N1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(OCCN2CC(CF)C2)cc1F)C(O)=O |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1C[C@](C)(F)C#N)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NCCN2CC(CF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC(=O)CN2CC(CF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(OC2CN(CCCO)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCC(F)F)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CC(CF)CF)C2)cc1F |r|
CCCN1CC(C1)Nc1cc(F)c([C@H]2N(CC(F)(F)CO)[C@H](C)Cc3c2[nH]c2ccccc32)c(F)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCO)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
COCC(F)(F)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(NC2CN(CCCF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)cc1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)nc1 |r|
CN(Cc1cccc(O)c1Cl)C(C1CCCC1)C(F)(F)F
CN(Cc1cccc(O)c1Cl)CC1(CCCC1)c1ccccc1F
Oc1cccc(CN(CC2(CCCC2)c2ccccc2F)c2ccccc2)c1Cl
Oc1cccc(CN(CCN2CCCCC2)CC2(CCCC2)c2ccccc2F)c1Cl
Oc1cccc(CN(CCCN2CCCCC2)CC2(CCCC2)c2ccccc2F)c1Cl
Oc1cccc(CN(CCOCCN2CCCCC2)CC2(CCCC2)c2ccccc2F)c1Cl
Oc1cccc(CN(CC2(CCCC2)c2ccccc2F)c2ccc(OCCN3CCCCC3)cc2)c1Cl
CN(Cc1cccc(O)c1Cl)CC1(CCCC1)c1ccccc1OCCN1CCCCC1
CN(Cc1cccc(O)c1Cl)CC1(CCCC1)c1ccc(OCCN2CCCCC2)cc1F
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCn3cc(COCCOc4cccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c45)nn3)cc2)c2ccc(O)cc12
C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCc1cn(CCOc2ccc(Cn3c(c(C)c4cc(O)ccc34)-c3ccc(O)cc3)cc2)nn1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r|
C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCOCc1cn(CCOc2ccc(Cn3c(c(C)c4cc(O)ccc34)-c3ccc(O)cc3)cc2)nn1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r|
C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCOCCOCc1cn(CCOc2ccc(Cn3c(c(C)c4cc(O)ccc34)-c3ccc(O)cc3)cc2)nn1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r|
Cc1ncsc1-c1ccc(CNC(=O)N2C[C@H](O)CC2C(=O)[C@H](NC(=O)C2(F)CC2)C(C)(C)C)c(OCCOCc2cn(CCOc3ccc(Cn4c(c(C)c5cc(O)ccc45)-c4ccc(O)cc4)cc3)nn2)c1 |r|
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OCCOCc2cn(CCOc3ccc(Cn4c(c(C)c5cc(O)ccc45)-c4ccc(O)cc4)cc3)nn2)c1 |r|
CN[C@H](C)C(=O)N[C@@H](C1CCN(CC1)C(=O)COCCOCc1cn(CCOc2ccc(Cn3c(c(C)c4cc(O)ccc34)-c3ccc(O)cc3)cc2)nn1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r|
C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](NC(=O)COCc1cn(CCOc2ccc(cc2)N(Cc2cccc(O)c2Cl)CC2(CCCC2)c2ccccc2F)nn1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r|
C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](NC(=O)COCCOCc1cn(CCOc2ccc(cc2)N(Cc2cccc(O)c2Cl)CC2(CCCC2)c2ccccc2F)nn1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r|
C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](NC(=O)COCCOCCOCc1cn(CCOc2ccc(cc2)N(Cc2cccc(O)c2Cl)CC2(CCCC2)c2ccccc2F)nn1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r|
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)c(OCCOCc2cn(CCOc3ccc(cc3)N(Cc3cccc(O)c3Cl)CC3(CCCC3)c3ccccc3F)nn2)c1 |r|
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)c(OCCOCCOCc2cn(CCOc3ccc(cc3)N(Cc3cccc(O)c3Cl)CC3(CCCC3)c3ccccc3F)nn2)c1 |r|
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)c(OCCOCCOCCOCc2cn(CCOc3ccc(cc3)N(Cc3cccc(O)c3Cl)CC3(CCCC3)c3ccccc3F)nn2)c1 |r|
C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H](NC(=O)COCCOCc1cn(CCOc2ccc(cc2)N(Cc2cccc(O)c2Cl)CC2(CCCC2)c2ccccc2F)nn1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r|
Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11C(=O)c2ccc(OCCN3CCCCC3)cc2C1=O |t:8|
Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11C(=O)c2ccccc2C1=O |t:8|
Oc1ccc2c(C=C(c3cccc(O)c3)C22C(=O)c3ccccc3C2=O)c1 |t:6|
CC(C)[C@@H]1[C@H](Oc2cc(O)ccc2C1=O)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)[C@@H]1Cc2ccc(O)cc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1
CC(C)[C@H]1[C@H](Oc2cc(O)ccc2C1=O)c1ccc(OCCN2CCCCC2)cc1
Cc1cc(cc(C)c1O)[C@H]1[C@H](Oc2cc(O)ccc2C1=O)c1ccc(OCCN2CCCCC2)cc1
O[C@@H]1[C@H]([C@H](Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1
CCCCCc1cc(O)cc2O[C@@H]([C@@H](C(=O)c12)c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)[C@H]1[C@H](Oc2cc(O)cc(F)c2C1=O)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)[C@H]1[C@H](Oc2cc(O)cc(Cl)c2C1=O)c1ccc(OCCN2CCCCC2)cc1
Cc1cc(O)cc2O[C@@H]([C@@H](C(=O)c12)c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)[C@H]1[C@H](Oc2cc(O)ccc2C1N=O)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)[C@H]1[C@H](Oc2cc(O)ccc2C1=O)c1ccc(OCCN2CCCCC2)cc1
COc1cc(ccc1O)[C@H]1[C@H](Oc2cc(O)ccc2C1=O)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)[C@H]1Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(O)cc1
Oc1ccc2C(=O)[C@H]([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
c1cc(ccc1C2=COc3cc(ccc3C2=O)O)O
Oc1ccc(cc1)[C@H]1[C@H](Oc2ccccc2C1=O)c1ccc(OCCN2CCCCC2)cc1
CCc1cc(O)cc2O[C@@H]([C@@H](C(=O)c12)c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1
C[C@H]1[C@H](Oc2cc(O)ccc2C1=O)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)[C@@H]1[C@H](Oc2cc(O)ccc2C1=O)c1ccc(OCCN2CCCCC2)cc1
C[C@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(OCCN2CCCCC2)cc1
COc1cc(O)ccc1[C@H]1[C@H](Oc2cc(O)ccc2C1=O)c1ccc(OCCN2CCCCC2)cc1
CCCc1cc(O)cc2O[C@@H]([C@@H](C(=O)c12)c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1
C[C@@H]1[C@H](Oc2cc(O)ccc2C1=O)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)[C@@H]1Sc2cc(O)ccc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)C1=C(Oc2ccc(O)cc2S1)c1ccc(OCCN2CCCCC2)cc1 |t:8|
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)C1=C(Oc2ccc(O)cc2S1=O)c1ccc(OCCN2CCCCC2)cc1 |t:8|
Oc1ccc(cc1)[C@@H]1Sc2ccc(O)cc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1
Oc1ccc2O[C@@H]([C@@H](Sc2c1)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)[C@H]1[C@H](Oc2ccc(O)cc2S1(=O)=O)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc2O[C@H]([C@H](Sc2c1)c1cccs1)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc2O[C@H]([C@@H](CC3CCCC3)Sc2c1)c1ccc(OCCN2CCCCC2)cc1
CC(C)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1
Oc1ccc2O[C@H]([C@H](Sc2c1)C1CCCC1)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(C[C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCCCC3)cc2)cc1
Oc1ccc2O[C@H]([C@H](Sc2c1)c1cccnc1)c1ccc(OCCN2CCCCC2)cc1
CC(C)C[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1
Oc1ccc2O[C@H]([C@H](Sc2c1)c1ccncc1)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc2O[C@H]([C@@H](Cc3ccccc3)Sc2c1)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc2O[C@H]([C@H](Sc2c1)c1ccco1)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc2O[C@H]([C@@H](CC3CCCCC3)Sc2c1)c1ccc(OCCN2CCCCC2)cc1
CC(C)(C)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1
Oc1ccc2O[C@H]([C@H](Sc2c1)C1CCCCC1)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc2O[C@H]([C@H](Sc2c1)C1CCCCCC1)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)C1CN(Cc2ccccc2)Cc2cc(O)ccc12
CN(C)C(=O)\C=C\c1ccc(cc1)N1CCc2cc(O)ccc2C1c1ccccc1
Oc1ccc2C(N(CCc2c1)c1ccc(\C=C\C(=O)N2CCOCC2)cc1)c1ccccc1
Oc1ccc2C(N(CCc2c1)C(=O)C(F)(F)F)c1ccc(OCCN2CCCC2)cc1
Oc1ccc2C(N(Cc3ccc4OCOc4c3)CCc2c1)c1ccc(OCCN2CCCC2)cc1
Oc1ccc2C(N(CCc2c1)C(=O)C(F)(F)F)c1ccc(Br)cc1
Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1
Oc1ccc2C(C3CCCCC3)N(CCc2c1)c1ccccc1
CC(C)C1N(CCc2cc(O)ccc12)c1ccccc1
Oc1ccc(cc1)C1CN(Cc2cc(O)ccc12)C(=O)C(F)(F)F
Oc1ccc2C(N(CCc2c1)C(=O)C(F)(F)F)c1ccccc1
Oc1ccc2C(N(CCc2c1)S(=O)(=O)c1cccc2ccccc12)c1ccc(OCCN2CCCC2)cc1
Oc1ccc2C(N(CCc2c1)S(=O)(=O)c1ccc2ccccc2c1)c1ccc(OCCN2CCCC2)cc1
CCOC(=O)N1CCc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1
Oc1ccc(cc1)[C@H]1N(CCc2cc(O)ccc12)C(=O)C(F)(F)F
Oc1ccc2C(N(CCc2c1)C(=O)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Oc1ccc2C(N(Cc3ccccc3)CCc2c1)c1ccc(OCCN2CCCC2)cc1
Oc1ccc2C(N(CCc2c1)C(=O)C(F)(F)F)c1cccs1
Oc1ccc(cc1)[C@@H]1N(CCc2cc(O)ccc12)C(=O)C(F)(F)F
Oc1ccc(cc1)C1CN(Cc2cc(O)ccc12)C(=O)c1ccccc1
Oc1ccc2C(CC3CCCCC3)N(CCc2c1)c1ccccc1
Oc1ccc2C(N(CCc2c1)c1ccccc1)c1cccs1
Oc1ccc2C(Cc3ccccc3)N(CCc2c1)c1ccccc1
Oc1ccc(cc1)C1CN(Cc2cc(O)ccc12)S(=O)(=O)c1cccc2ccccc12
Oc1ccc2C(N(CCc2c1)S(=O)(=O)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
c1ccc(cc1)[C@H]2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCC5)O
Oc1ccc(cc1)C1CN(Cc2cc(O)ccc12)S(=O)(=O)c1ccccc1
Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccccc1
CCCc1ccc(cc1)S(=O)(=O)N1CCc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1
Oc1cccc(c1)C1Sc2cc(O)ccc2OC1c1ccc(OCCN2CCCCC2)cc1
CCc1cc(O)cc2O[C@@H]([C@@H](Sc12)c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1
Cc1cc(O)cc2S[C@H]([C@H](Oc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1
Oc1ccc(cc1)[C@@H]1Sc2cc(O)cc(Cl)c2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1
COc1ccc(cc1)C1Sc2cc(O)ccc2OC1c1ccc(OCCN2CCCCC2)cc1
Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCNC2CCCCCC2)cc1
Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)[C@@H]1Sc2cc(O)c(Cl)cc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)[C@@H]1Sc2c(F)c(O)ccc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)[C@@H]1Sc2c(Cl)cc(O)cc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1
Cc1c(O)ccc2S[C@H]([C@H](Oc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1
Oc1ccc(cc1)[C@@H]1Sc2c(Cl)c(O)ccc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1
CC1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2cccc(O)c2)CC1
Oc1ccc(cc1)[C@@H]1Sc2cc(Cl)c(O)cc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1
Cc1cc(O)cc2O[C@@H]([C@@H](Sc12)c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)[C@@H]1Sc2c(F)cc(O)cc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1
Oc1ccc2OC(C(Sc2c1)c1ccc(F)cc1)c1ccc(OCCN2CCCCC2)cc1
Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCOCC2)cc1
Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCC2)cc1
Cc1cc2S[C@H]([C@H](Oc2cc1O)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1
Oc1ccc(cc1)[C@@H]1Sc2cc(O)c(F)cc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1
Oc1ccc2OC(C(Sc2c1)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc2O[C@@H]([C@@H](Sc2c1)c1ccccc1O)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)[C@@H]1Sc2c(O)cc(O)cc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1
CN(C)CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1cccc(O)c1
CC1CCCC(C)N1CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1cccc(O)c1
CCc1c(O)ccc2S[C@H]([C@H](Oc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1
Oc1ccc(cc1)[C@H]1Sc2c(F)c(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCNC(=O)CNC(=O)c3cc(NC(=O)c4cc(NC(=O)CCS(C)(=O)=O)cn4C)cn3C)[C@@]21[H] |r|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCNC(=O)CCNC(=O)c3cc(NC(=O)c4cc(NC(=O)CCS(C)(=O)=O)cn4C)cn3C)[C@@]21[H] |r|
Cn1cc(NC(=O)c2cc(NC(=O)CCS(C)(=O)=O)cn2C)cc1C(=O)NCCCC(=O)NCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 |r|
C[C@@H]1CC2C(Nc3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
C[C@@H]1CC2C([C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F)N(C)c1ccccc21 |r|
CC(C)(F)CN1[C@H](CF)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r|
CC(C)(F)CN1[C@@H](c2[nH]c3ccccc3c2CC11CC1)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
CC(C)(F)CN1C2CCCC2c2c([nH]c3ccccc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(CC1)C(F)(F)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
CCCCN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1c1ccccc1)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(\C=C\C(O)=O)cn1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ncc(\C=C\C(O)=O)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1cc(F)c(\C=C\C(O)=O)c(F)c1 |r|
COc1cc(\C=C\C(O)=O)cc(F)c1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
COc1cc(\C=C\C(O)=O)cc(OC)c1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(NC2(CC2)C(O)=O)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)N1CC(C1)C(O)=O |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)N1CCC(C1)C(O)=O |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)N1CCC(CC1)C(O)=O |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)N1CC2(CC(C2)C(O)=O)C1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)N1CC(C1)N(C)C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)N1CC(CF)C1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)N1CC2(COC2)C1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)N1CC(C1)C(N)=O |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)N1CC(C1)OCCF |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)N1CC(C1)C#N |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)N1CCOCC1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)N1CCN(CC1)C(=O)C=C |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)N1CCS(=O)(=O)CC1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)N1CCC(F)(F)CC1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(=O)NO)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(N)=O)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)-c1ccc(cc1)C(O)=O |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)-c1cnc(s1)C(O)=O |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(Nc2cnc(s2)C(O)=O)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)-n1ccc(n1)C(O)=O |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)-c1ccc(cn1)C(O)=O |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)-c1cccc(c1)C(O)=O |r|
COc1cc(ccc1-c1cc(F)c([C@H]2N(CC(C)(C)F)[C@H](C)Cc3c2[nH]c2ccccc32)c(F)c1)C(O)=O |r|
COc1cc(ccc1C(O)=O)-c1cc(F)c([C@H]2N(CC(C)(C)F)[C@H](C)Cc3c2[nH]c2ccccc32)c(F)c1 |r|
COc1cc(cc(Cl)c1-c1cc(F)c([C@H]2N(CC(C)(C)F)[C@H](C)Cc3c2[nH]c2ccccc32)c(F)c1)C(O)=O |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)-c1ccc(cc1)C(N)=O |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)-c1ccc(cc1Cl)C(O)=O |r|
COc1cc(ccc1C(O)=O)-c1cc(Cl)c([C@H]2N(CC(C)(C)F)[C@H](C)Cc3c2[nH]c2ccccc32)c(Cl)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(Cl)cc(cc1Cl)-c1ccc(cc1)C(O)=O |r|
COc1cc(ccc1C(O)=O)-c1cc(F)c([C@H]2N(CC(C)(C)F)[C@H](C)Cc3c2[nH]c2ccccc32)c(Cl)c1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1Cl)-c1ccc(cc1)C(O)=O |r|
COc1cc(cc(F)c1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1[nH]c1ccccc21)-c1ccc(cn1)C(O)=O |r|
COc1cc(cc(F)c1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1[nH]c1ccccc21)-c1ccc(cc1)C(O)=O |r|
CC(C)(F)CN1CCc2cc(O)ccc2C1c1ccc(OCCCCCC(=O)NO)cc1
CC(C)(F)CN1CCc2cc(O)ccc2C1c1ccc(OCCCCCCC(=O)NO)cc1
CC(C)(F)CN1CCc2cc(O)ccc2C1c1ccc(OC2CN(CC(=O)NO)C2)cc1
CC(C)(F)CN1CCc2cc(O)ccc2C1c1ccc(OCCCOc2ccc(cc2)C(=O)NO)cc1
CC(C)(F)CN1CCc2cc(O)ccc2C1c1ccc(cc1)C(=O)NO
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1CCCN1CCCCC1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(CCCN2CCCCC2)cc1
CCN1CCN(CC1)c1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(CN2CCCCC2)cc1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)N1CCNCC1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)N1CCCNCC1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)C1=CCNCC1 |t:28|
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(COCCN2CCCCC2)cc1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)C1CCNCC1
CN1CCCN(CC1)c1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1
CN1CCN(CC1)c1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2S[C@H]1c1ccc(OCCN2CCCC2)cc1
Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2S[C@H]1c1ccc(OCCN2CCCCC2)c(Br)c1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2S[C@H]1c1ccc(OCCN2CCCC2)c(Br)c1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2S[C@H]1c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2S[C@H]1c1ccc(OCCN2CCCCC2)c(Br)c1
Oc1cccc(c1)[C@H]1Sc2cc(O)ccc2S[C@H]1c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC[C@@H]3C[C@H]23)cc1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2C3CCC2CCC3)cc1 |TLB:24:25:27.28:31.30.32|
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC3CC2CO3)cc1 |THB:24:25:28:31.30|
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC3CC4CC(C3)CC2C4)cc1 |TLB:35:34:32:29.28.30,THB:35:29:25.34.26.33:32,25:34:27.28.32:30,26:27:34.33.35:30,24:25:32:29.28.30|
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2C[C@@H]3CCC[C@@H]3C2)cc1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2C3CCC2CC3)cc1 |TLB:24:25:27.28:31.30|
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCC3(CCCC3)CC2)cc1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC3CCC2CC3)cc1 |wD:7.7,17.20,(2.33,3.78,;.99,3,;1.01,1.46,;-.33,.7,;-1.64,1.46,;-1.66,2.98,;-.35,3.76,;-2.98,.7,;-4.32,1.46,;-5.66,.67,;-6.97,1.43,;-8.31,.67,;-9.65,1.43,;-8.31,-.87,;-6.97,-1.63,;-5.63,-.87,;-4.32,-1.63,;-2.98,-.87,;-1.64,-1.63,;-.33,-.84,;1.01,-1.63,;1.01,-3.14,;2.35,-3.9,;3.68,-3.14,;3.68,-1.6,;5.07,-.79,;5.85,.55,;7.67,1.46,;9.38,.53,;8.56,-.73,;6.81,.23,;6.75,1.71,;7.59,2.65,;-.32,-3.93,;-1.64,-3.17,)|
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2C[C@H]3CCCC[C@H]3C2)cc1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC3CCC3C2)cc1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC3CC3C2)cc1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC3(CCC3)C2)cc1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC[C@H]3C[C@@H]23)cc1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2C3CCCC2CCC3)cc1 |THB:24:25:28.27.29:32.33.31|
NC(=O)C1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)CC1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCS(=O)(=O)CC2)cc1
OC1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)CC1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCC(F)(F)CC2)cc1
OC[C@H]1CCCN1CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1
OC[C@@H]1CCCN1CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCC(F)CC2)cc1
OCCC1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)CC1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC[C@@H](F)C2)cc1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCC2)cc1
OCC1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)CC1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCC3(CC2)OCCO3)cc1
O[C@@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)C1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCSCC2)cc1
[#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1cccnc1
[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1cccnc1
CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1c[nH]cn1 |(43.14,-9.2,;43.14,-7.66,;41.8,-6.89,;41.8,-5.35,;40.47,-4.58,;39.13,-5.36,;37.8,-4.59,;37.8,-3.04,;36.46,-2.27,;39.13,-2.27,;40.46,-3.03,;43.13,-4.58,;44.46,-5.35,;45.79,-4.58,;45.79,-3.04,;47.12,-2.26,;44.45,-2.27,;43.12,-3.04,;40.48,-7.66,;39.07,-7.04,;38.04,-8.18,;38.81,-9.52,;40.32,-9.19,)|
CC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1c[nH]cn1 |(61.39,-8.48,;60.06,-7.72,;60.06,-6.18,;58.72,-5.41,;57.38,-6.18,;56.05,-5.41,;56.05,-3.87,;54.72,-3.1,;57.38,-3.09,;58.72,-3.86,;61.39,-5.4,;62.72,-6.17,;64.05,-5.4,;64.05,-3.86,;65.38,-3.09,;62.7,-3.09,;61.38,-3.87,;58.73,-8.49,;57.32,-7.86,;56.3,-9.01,;57.07,-10.34,;58.57,-10.02,)|
[#6]-[#6]\[#6](-[#6]-c1cccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#6]\[#6](-[#6]-c1cccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#6]-[#6]\[#6](-[#6]-n1ccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#6]\[#6](-[#6]-n1ccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#6]-[#6]\[#6](-[#6]-[#6]-c1cccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#6]\[#6](-[#6]-[#6]-c1cccnc1)=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
CCC(CCc1c[nH]cn1)=C(c1ccc(O)cc1)c1ccc(O)cc1 |(43.98,-41.54,;43.98,-40,;42.64,-39.23,;41.31,-40,;41.31,-41.54,;39.98,-42.32,;38.57,-41.7,;37.55,-42.85,;38.32,-44.18,;39.82,-43.86,;42.64,-37.69,;41.31,-36.92,;39.97,-37.7,;38.63,-36.93,;38.64,-35.38,;37.3,-34.61,;39.97,-34.61,;41.3,-35.37,;43.97,-36.92,;45.3,-37.69,;46.63,-36.92,;46.63,-35.38,;47.96,-34.6,;45.29,-34.61,;43.96,-35.38,)|
CC(CCc1c[nH]cn1)=C(c1ccc(O)cc1)c1ccc(O)cc1 |(63.34,-40.18,;62,-39.41,;60.67,-40.18,;60.67,-41.72,;59.34,-42.5,;57.93,-41.88,;56.91,-43.02,;57.68,-44.36,;59.18,-44.03,;62,-37.87,;60.67,-37.1,;59.33,-37.88,;57.99,-37.1,;58,-35.56,;56.66,-34.79,;59.32,-34.79,;60.66,-35.55,;63.33,-37.1,;64.66,-37.87,;65.99,-37.1,;65.99,-35.56,;67.32,-34.78,;64.65,-34.79,;63.32,-35.56,)|
CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccccc3
N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
CC(=O)c1cc(O)cc2cc(oc12)-c1ccc(O)cc1
COc1cc(O)c(Cl)c2cc(oc12)-c1ccc(O)cc1
Oc1ccc(cc1)-c1cc2cc(O)cc(CC#N)c2o1
Oc1ccc(cc1)-c1cc2c(Cl)c(O)cc(CC#N)c2o1
Cc1cc(O)cc2cc(oc12)-c1ccc(O)cc1
CCC(=O)c1cc(O)cc2cc(oc12)-c1ccc(O)cc1
COc1cc(O)cc2cc(oc12)-c1ccc(O)c(F)c1
Oc1cc(CC#N)c2oc(cc2c1)-c1ccc(O)c(F)c1
COc1cc(O)cc2cc(oc12)-c1ccc(O)cc1
Oc1ccc(cc1)-c1cc2cc(O)cc(C#N)c2o1
COc1cc(O)c(Br)c2cc(oc12)-c1ccc(O)c(F)c1
Oc1cc(Br)c2oc(cc2c1)-c1ccc(O)c(F)c1
COc1cc(O)c(C#N)c2cc(oc12)-c1ccc(O)cc1
Oc1ccc(cc1)-c1cc2cc(O)cc(Cl)c2o1
COc1cc(O)c(Br)c2cc(oc12)-c1ccc(O)cc1
Oc1ccc(cc1)-c1cc2cc(O)ccc2o1
Oc1ccc(cc1)-c1cc2cc(O)cc(C=O)c2o1
Cc1cc(O)cc2cc(oc12)-c1ccc(O)c(F)c1
Oc1ccc(cc1)-c1cc2c(Br)c(O)cc(CC#N)c2o1
Oc1cc(C#N)c2oc(cc2c1)-c1ccc(O)c(F)c1
Oc1ccc(cc1)-c1cc2cc(O)cc(Br)c2o1
[H][C@@]12CC[C@@](O)(C#Cc3ccc(-c4ccc(cc4)N(c4ccccc4)c4ccccc4)c4nsnc34)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
CCc1cc(O)cc2nc(oc12)-c1ccc(O)cc1
COc1c(Br)c(O)c(Br)c2nc(oc12)-c1ccc(O)c(F)c1
Oc1ccc(cc1)-c1nc2cc(O)cc(C=C)c2o1
Oc1ccc(cc1)-c1nc2ccc(O)cc2o1
COC(=O)c1cc(O)cc2nc(oc12)-c1ccc(O)cc1
Oc1ccc2onc(-c3ccc4cc(O)ccc4c3)c2c1
Oc1ccc(cc1)-c1noc2cc(O)ccc12
Oc1ccc2oc(nc2c1)-c1cccc2cc(O)ccc12
Oc1ccc2c(cccc2c1)-c1nc2cc(F)c(O)cc2o1
Oc1ccc(-c2nc3cc(O)cc(Br)c3o2)c(F)c1
Cc1cc(-c2noc3cc(O)ccc23)c(O)cc1O
Oc1cc(Br)c2oc(nc2c1)-c1ccc(O)c(c1)C(F)(F)F
Oc1ccc(cc1)-c1nc2cc(O)cc(C#N)c2o1
Oc1ccc(-c2nc3ccc(O)cc3o2)c(O)c1
Oc1ccc(cc1F)-c1nc2cc(O)c(Br)cc2o1
Oc1ccc(cc1F)-c1nc2c(Br)c(O)c(Br)c(C=C)c2o1
Oc1cc(C=C)c2oc(nc2c1)-c1ccc(O)c(F)c1
Oc1ccc(cc1)-c1nc2cc(O)cc(-c3nccs3)c2o1
Oc1cc(CC=C)c2oc(nc2c1)-c1ccc(O)c(F)c1
Oc1ccc2nc(oc2c1)-c1ccc(O)c(O)c1
Oc1ccc2nc(oc2c1)-c1ccc(O)c(F)c1
Oc1ccc2nc(oc2c1)-c1cccc2ccccc12
Oc1ccc(cc1)-c1nc2cc(O)ccc2o1
Cc1cc(O)ccc1-c1noc2cc(O)ccc12
Oc1ccc(cc1)-c1nc2cc(O)cc(-c3cccs3)c2o1
Oc1cc(Br)c2oc(nc2c1)-c1ccc(O)c(F)c1
Oc1cc(C=C)c2oc(nc2c1)-c1cc(F)c(O)cc1F
Oc1ccc(cc1F)-c1nc2c(Br)c(O)cc(C=C)c2o1
CCCc1cc(ccc1O)-c1noc2cc(O)ccc12
CC(C)c1cc(O)cc2nc(oc12)-c1ccc(O)cc1
C\C=C/c1cc(O)cc2nc(oc12)-c1ccc(O)cc1F
Cc1cc(O)c2cccc(-c3nc4ccc(O)cc4o3)c2c1
Oc1ccc2c(noc2c1)-c1cccc2cc(O)ccc12
CCOC(=O)c1cc(O)cc2nc(oc12)-c1ccc(O)cc1
CC(C)(C)c1cc(ccc1O)-c1nc2ccc(O)cc2o1
Oc1ccc2oc(nc2c1)-c1ccc2cc(O)ccc2c1
Oc1ccc2c(noc2c1)-c1ccc(O)c(Br)c1
Oc1ccc2nc(oc2c1)-c1cccc(O)c1O
Cc1cc(ccc1O)-c1noc2cc(O)ccc12
Oc1ccc(-c2noc3cc(O)ccc23)c(CN=O)c1
Oc1ccc2nc(oc2c1)-c1ccc(O)c(Cl)c1
Oc1ccc(cc1)-c1nc2cc(O)cc(CC#N)c2o1
Cc1cc(O)ccc1-c1nc2cc(O)cc(C=C)c2o1
Oc1ccc(-c2noc3ccccc23)c(O)c1
Oc1ccc2c(noc2c1)-c1ccc(O)c(Cl)c1
Oc1ccc2c(noc2c1)-c1ccccc1O
Oc1ccc(cc1)-c1nc2cc(O)cc(Br)c2o1
Oc1ccc2nc(oc2c1)-c1ccc2cc(O)ccc2c1
Oc1ccc2nc(oc2c1)-c1cccc2c(Br)c(O)ccc12
Oc1ccc(-c2noc3cc(O)ccc23)c(O)c1
Oc1ccc(cc1)-c1nc2cc(O)cc(-c3ccco3)c2o1
CCCc1cc(-c2noc3cc(O)ccc23)c(CCC)cc1O
Oc1ccc2c(noc2c1)-c1ccc(O)c(F)c1
Oc1ccc(cc1)-c1nc2cc(O)cc(C=O)c2o1
Oc1ccc2nc(oc2c1)-c1ccc(O)c2ccccc12
Oc1ccc(cc1)-c1nc2cc(O)cc(\C=C/Br)c2o1
Oc1ccc(-c2nc3cc(O)cc(\C=C/Br)c3o2)c(F)c1
Oc1ccc(cc1)-c1noc2ccc(O)cc12
Oc1ccc(cc1)-c1nc2cc(O)cc(C3CCCC3)c2o1
CCCc1cc(O)ccc1-c1noc2cc(O)ccc12
CCCc1cc(-c2noc3cc(O)ccc23)c(CC)cc1O
NC(=O)c1cc(O)cc2nc(oc12)-c1ccc(O)cc1
CCCCOc1cc(ccc1O)-c1nc2ccc(O)cc2o1
Oc1ccc(-c2noc3cc(O)ccc23)c(c1)C#N
Oc1ccc2c(noc2c1)-c1ccc2c(Br)c(O)ccc2c1
Oc1ccc(-c2noc3cc(O)ccc23)c(CC#N)c1
Cc1cc(O)ccc1-c1nc2cc(O)cc(Br)c2o1
OC(=O)c1cc(O)cc2nc(oc12)-c1ccc(O)cc1
Oc1cc(-c2ccco2)c2oc(nc2c1)-c1ccc(O)c(F)c1
Oc1ccc(cc1)-c1nc2cc(O)cc(-c3ccccc3)c2o1
Oc1ccc2nc(oc2c1)-c1cccc2c(O)cccc12
Oc1ccc2c(noc2c1)-c1cccc2ccc(O)cc12
Oc1ccc(cc1)-c1nc2cc(O)c(Cl)cc2o1
CCCCc1cc(O)cc2nc(oc12)-c1ccc(O)cc1
COc1cc(O)cc2nc(oc12)-c1ccc(O)cc1
Oc1cc(C=C)c2oc(nc2c1)-c1ccc(O)c(F)c1F
Oc1ccc2c(noc2c1)-c1cc(Br)c(O)cc1O
COc1cc(O)c(Br)c2nc(oc12)-c1ccc(O)c(F)c1
Oc1ccc(-c2nc3cc(O)ccc3o2)c(O)c1
Oc1cc(C=C)c2oc(nc2c1)-c1cc(F)c(O)c(F)c1
Oc1ccc(-c2nc3cc(O)cc(C#N)c3o2)c(F)c1
Oc1ccc(-c2noc3ccc(O)cc23)c(O)c1
Oc1cc(F)c(-c2nc3cc(O)cc(C=C)c3o2)c(F)c1
Oc1ccc(-c2nc3cc(O)ccc3o2)c(Cl)c1
Oc1ccc(cc1)-c1nc2cc(O)cc(C#C)c2o1
Oc1ccc2nc(oc2c1)-c1cccc2cc(O)ccc12
Oc1ccc(cc1F)-c1nc2cc(O)c(Cl)cc2o1
Oc1ccc2c(noc2c1)-c1cccc2c(O)cccc12
Oc1ccc(cc1)-c1nc2cc(O)cc(CBr)c2o1
Oc1ccc(-c2nc3cc(O)cc(C=C)c3o2)c(F)c1
Oc1ccc2oc(nc2c1)-c1cccc(O)c1O
Oc1ccc2c(noc2c1)-c1ccc2cc(O)ccc2c1
Oc1ccc(cc1)-c1nc2cc(O)cc(CC=C)c2o1
CCCc1cc(O)cc2nc(oc12)-c1ccc(O)cc1
Oc1ccc2oc(nc2c1)-c1ccc(O)c(F)c1
C\C=C/c1cc(O)cc2nc(oc12)-c1ccc(O)cc1
Oc1cc(C#N)c2oc(nc2c1)-c1ccc(O)c(F)c1
Cc1c(O)ccc(-c2noc3cc(O)ccc23)c1O
Oc1ccc(cc1)-c1nc2cc(Cl)c(O)cc2o1
Oc1cc(\C=C/F)c2oc(nc2c1)-c1ccc(O)c(F)c1
Oc1ccc2c(noc2c1)-c1cc(Cl)c(O)cc1O
Oc1ccc(-c2nc3cc(O)cc(CC=C)c3o2)c(F)c1
Oc1ccc2c(noc2c1)-c1ccc2c(O)cccc2c1
Oc1ccc2oc(nc2c1)-c1ccc(O)c(Cl)c1
CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCNC(=O)CCCn2c(=S)[nH]c3ccccc3c2=O)cc1)c1ccccc1
CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCNC(=O)CCCCCCCn2c(=S)[nH]c3ccccc3c2=O)cc1)c1ccccc1
CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCNC(=O)c2ccc(cc2)N2CCN(CC2)C(=O)CCCn2c(=S)[nH]c3ccccc3c2=O)cc1)c1ccccc1
CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCNC(=O)c2ccc(cc2)N2CCN(CC2)C(=O)CCCCCCCn2c(=S)[nH]c3ccccc3c2=O)cc1)c1ccccc1
CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCNC(=O)CCc2nc3cc(OC)ccc3[nH]2)cc1)c1ccccc1
CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCNC(=O)CCc2nc3ccc(OC)cc3[nH]2)cc1)c1ccccc1
CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCNC(=O)CCc2nc3cc(OC)ccc3[nH]2)cc1)c1ccccc1
CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCCNC(=O)CCc2nc3ccc(OC)cc3[nH]2)cc1)c1ccccc1
CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCCCNC(=O)CCc2nc3cc(OC)ccc3[nH]2)cc1)c1ccccc1
CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1
CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1
CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1
CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1
CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1
CCC(=C(c1ccc(O)cc1)c1ccc(C=CC(=O)NCCN)cc1)c1ccccc1
CC\C(=C(/c1ccc(O)cc1)c1cccc(OCCN(C)C)c1)c1ccccc1
CCN(CC)CCOc1cccc(c1)C(=C(\CC)c1ccccc1)\c1ccc(O)cc1
CC\C(=C(/c1ccc(O)cc1)c1cccc(OCCN2CCCC2)c1)c1ccccc1
CC\C(=C(/c1ccc(O)cc1)c1cccc(OCCN2CCCCC2)c1)c1ccccc1
CC\C(=C(/c1ccc(O)cc1)c1cccc(OCCCN(C)C)c1)c1ccccc1
CCN(CC)CCCOc1cccc(c1)C(=C(\CC)c1ccccc1)\c1ccc(O)cc1
CC\C(=C(/c1ccc(O)cc1)c1cccc(OCCCN2CCCC2)c1)c1ccccc1
CC\C(=C(/c1ccc(O)cc1)c1cccc(OCCCN2CCCCC2)c1)c1ccccc1
CC\C(=C(/c1ccccc1)c1cccc(OCCN(C)C)c1)c1ccccc1
CCN(CC)CCOc1cccc(c1)C(=C(\CC)c1ccccc1)\c1ccccc1
CC\C(=C(/c1ccccc1)c1cccc(OCCN2CCCC2)c1)c1ccccc1
CC\C(=C(/c1ccccc1)c1cccc(OCCN2CCCCC2)c1)c1ccccc1
CC\C(=C(/c1ccccc1)c1cccc(OCCCN(C)C)c1)c1ccccc1
CCN(CC)CCCOc1cccc(c1)C(=C(\CC)c1ccccc1)\c1ccccc1
CC\C(=C(/c1ccccc1)c1cccc(OCCCN2CCCC2)c1)c1ccccc1
CC\C(=C(/c1ccccc1)c1cccc(OCCCN2CCCCC2)c1)c1ccccc1
CC[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1)N1CCCC1
C[C@H]1CCCN1CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1
CC[C@H](CN1CCCC1)Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1
CC1(C)CCCN1CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1
CC1(C)CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)C1
C[C@H](CN1CCCC1)Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1
CC[C@@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)C1
C[C@H]1CN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)C[C@H]1C
CC(C)[C@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1)N1CCCC1
CC(C)(COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1)N1CCCC1
C[C@@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)C1
CC[C@@H](CN1CCCC1)Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1
C[C@H](COc1ccc(cc1)[C@H]2[C@H](Sc3cc(ccc3O2)O)c4ccc(cc4)O)N5CCCC5
C[C@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)C1
C[C@H]1CN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)C[C@@H]1C
CC(C)[C@@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)C1
C[C@@H](CN1CCCC1)Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1
CC[C@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1)N1CCCC1
CC(C)[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1)N1CCCC1
C[C@@H]1CN(C[C@H]1C)CCOc2ccc(cc2)[C@H]3[C@H](Sc4cc(ccc4O3)O)c5ccc(cc5)O
CC(C)[C@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)C1
C[C@@H]1CCCN1CCOc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCCN2CCCC2)cc1
Oc1ccc(cc1)-c1nn(Cc2ccccc2)c2c(Cl)cccc12
Oc1ccc(cc1)-c1nn(C2CCCC2)c2c(F)cccc12
CC(C)n1nc(-c2ccc(O)cc2)c2cccc(c12)C(F)(F)F
Oc1ccc(-c2n[nH]c3cc(O)ccc23)c(O)c1
CCCn1nc(-c2ccc(O)cc2O)c2ccc(O)cc12
Oc1ccc(cc1)-c1nn(C2CCCC2)c2c(Cl)cccc12
Oc1ccc(-c2nn(-c3cccc(F)c3)c3cc(O)ccc23)c(O)c1
OCCn1nc(-c2ccc(O)cc2)c2cccc(Cl)c12
Oc1ccc(-c2nn(-c3cc(F)ccc3F)c3cc(O)ccc23)c(O)c1
Oc1ccc(-c2nn(CC=C)c3c(cccc23)C(F)(F)F)c(O)c1
Oc1ccc(-c2nn(C3CCCCC3)c3cc(O)ccc23)c(O)c1
CCCCn1nc(-c2ccc(O)cc2O)c2ccc(O)cc12
CCn1nc(-c2ccc(O)cc2O)c2ccc(O)cc12
Oc1ccc(-c2nn(-c3cc(Cl)ccc3Cl)c3cc(O)ccc23)c(O)c1
Oc1ccc(-c2nn(CC(F)(F)F)c3cc(O)ccc23)c(O)c1
Cn1nc(-c2ccc(O)cc2O)c2ccc(O)cc12
CCCCn1nc(-c2ccc(O)cc2)c2cccc(Cl)c12
Cc1ccc(cc1)-n1nc(-c2ccc(O)cc2O)c2ccc(O)cc12
CCCn1nc(-c2ccc(O)cc2)c2cccc(C)c12
CC(C)n1nc(-c2ccc(O)cc2C)c2cccc(c12)C(F)(F)F
CCCn1nc(-c2ccc(O)cc2)c2cccc(Cl)c12
Oc1ccc(cc1)-c1nn(C2CCCCC2)c2c(Cl)cccc12
OCCn1nc(-c2ccc(O)cc2)c2cccc(c12)C(F)(F)F
Cc1cc(O)ccc1-c1nn(CC=C)c2c(cccc12)C(F)(F)F
Oc1ccc(cc1)-c1nn(Cc2ccccc2)c2c(cccc12)C(F)(F)F
Oc1ccc(-c2nn(-c3cccc(Cl)c3)c3cc(O)ccc23)c(O)c1
COc1onc(c1-c1oc2ccccc2c(=O)c1O)-c1ccc(O)cc1 |(-3.02,2.46,;-1.82,3.44,;-.38,2.89,;.86,3.81,;2.11,2.91,;1.64,1.44,;.1,1.43,;-.8,.18,;-2.33,.33,;-3.22,-.91,;-4.76,-.76,;-5.65,-2.02,;-5.02,-3.41,;-3.49,-3.56,;-2.59,-2.32,;-1.06,-2.47,;-.29,-3.81,;-.16,-1.23,;1.38,-1.23,;2.62,.25,;4.14,.5,;5.11,-.69,;4.57,-2.13,;5.65,-3.22,;3.05,-2.38,;2.07,-1.2,)|
CN(C)CCOc1ccc([C@H]2NC=N[C@H]2c2ccc(O)cc2Cl)c(Cl)c1 |c:12|
CCC1=N[C@H]([C@H](N1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 |t:2|
Oc1cc(Cl)c([C@@H]2N=CN[C@@H]2c2ccc(OCCN3CCCCC3)cc2Cl)c(Cl)c1 |c:7|
Oc1ccc([C@@H]2N=CN[C@@H]2c2ccc(OCCN3CCCCC3)cc2Cl)c(Cl)c1 |c:6|
Oc1ccc([C@@H]2N=CN[C@@H]2c2ccc(OCCN3CCCC3)cc2Cl)c(Cl)c1 |c:6|
CN(C)CCOc1ccc(cc1)[C@H]1NC=N[C@H]1c1ccc(O)cc1 |c:15|
Oc1ccc2[C@H]([C@H](SCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
COc1ccc2[C@H]([C@H](SCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Oc1ccc2[C@H]([C@H](OCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
COc1ccc2[C@H]([C@H](OCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
OCC12CC3CC(C1)C(C(C3)C2)c1ccc(O)cc1 |TLB:1:2:5:8.9.10,12:8:5:2.3.7,THB:11:9:5:2.3.7,11:2:5:8.9.10,3:4:8:11.2.7,3:2:8:4.5.10,(4.67,4.29,;3.15,4.05,;2.78,2.55,;4.11,1.87,;3.97,.53,;3.05,-.72,;1.63,-.15,;1.81,1.56,;.11,-.41,;1.02,.84,;2.45,.27,;1.15,2.08,;-1.08,-1.38,;-.84,-2.9,;-2.03,-3.87,;-3.47,-3.32,;-4.67,-4.29,;-3.72,-1.81,;-2.53,-.83,)|
OC1CC2(C1)CCC(CC2)c1ccc(O)cc1
CC1=CC[C@@H]2C[C@H]1[C@@H](OC2(C)C)c1ccc(O)c(C)c1 |t:1|
CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)cc1O |t:1|
CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)cc1 |t:1|
CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)cc3Cl)[C@]1(C)C2 |t:1|
CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)c(C)c1 |t:1|
CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)c(F)c3)[C@]1(C)C2 |t:1|
CC1=CC[C@@H]2C[C@H]1[C@@H](OC2(C)C)c1ccc(O)cc1 |t:1|
CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)cc1C |t:1|
CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)c(F)c1 |t:1|
CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)cc3F)[C@]1(C)C2 |t:1|
CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)c(O)c1 |t:1|
CC1=CC(C)(C)[C@@]2(O)CO[C@H]([C@@H]1C2)c1ccc(O)cc1Cl |t:1|
CC1=CC[C@]2(O)C[C@H]1[C@@H](OC2(C)C)c1ccc(O)cc1F |t:1|
CC1=CC[C@]2(O)C[C@H]1[C@@H](OC2(C)C)c1ccc(O)c(F)c1 |t:1|
CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)c(Br)c1 |t:1|
CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)cc1Cl |t:1|
CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)cc1F |t:1|
CC1=CC[C@@]2(O)CO[C@H]([C@@H]1C2(C)C)c1ccc(O)cc1 |t:1,THB:0:1:10:7.8.6|
CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)cc3)[C@]1(C)C2 |t:1|
CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1ccc(O)c(Cl)c1 |t:1|
CC1=CC[C@]2(O)C[C@H]1[C@@H](OC2(C)C)c1ccc(O)cc1 |t:1|
CC1=CC[C@]2(O)C[C@H]1[C@@H](OC2(C)C)c1ccc(O)cc1Cl |t:1|
COc1cc(ccc1O)[C@@H]1OC[C@]2(CO)CC=C(C)[C@H]1C2 |t:17|
CC1=CC(C)(C)[C@@]2(O)CO[C@H]([C@@H]1C2)c1ccc(O)cc1 |t:1|
CC1=CC[C@@]2(CO)CO[C@H]([C@@H]1C2)c1cc(C)c(O)c(C)c1 |t:1|
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1[N+]([O-])=O
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cccc(Cl)c1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(Cl)cc1
Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccncc1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cccc(O)c1
CC(C)N1CCN(CC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
Cc1cc(C)nc(n1)N1CCN(CC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cl)cc1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C1CCCC1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O
Cc1ccccc1C(=O)N1CCN(CC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1O
CCCN1CCN(CC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccco1
Cc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1Cl
C[C@H]1[C@@H]([C@@H](Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1
C[C@@H]1[C@@H]([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1
C[C@H]1[C@@H]([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1
C[C@H]1[C@@H]([C@@H](Oc2ccc(O)c(F)c12)c1ccc(OCCN2CCCCCC2)cc1)c1ccc(O)cc1
C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CCCC1
C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CCCC1
C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CC[C@@H](C)C1
C[C@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1
C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CCC[C@H]1C
C[C@H]1[C@@H]([C@@H](Oc2ccc(O)c(F)c12)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1
C[C@@H]1[C@@H]([C@@H](Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1
C[C@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1
C[C@@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1
C[C@@H]1CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)C1
C[C@H]1[C@@H]([C@@H](Oc2ccc(O)c(F)c12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1
C[C@H]1[C@@H]([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1
C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CC[C@H](C)C1
CC[C@H]1[C@@H]([C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1
C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)c(F)c2[C@@H](C)[C@@H]1c1ccc(O)cc1)N1CC[C@@H](C)C1
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
[H][C@@]12CC[C@@](O)(c3ccc4COCc4c3)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
[H][C@@]12CC[C@@](O)(c3ccc4CC(Cc4c3)(C(C)=O)C(=O)OCC)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
OCC1(CC1)c1onc(c1-c1ccccc1)-c1ccc(O)cc1
COc1cc(ccc1O)-c1cc(=O)c2cc(O)ccc2o1
Oc1ccc(cc1)[C@H]1COc2cc(O)ccc2C1 |r|
[H][C@@]12C[C@@]3([H])[C@]4([H])CCc5cc(O)ccc5[C@@]4([H])CC[C@]3(C)[C@]1(O)CC(=O)O2 |r|
CNCCOc1ccc(cc1)N1Nc2cc(O)ccc2-c2c1c1ccc(O)cc1oc2=O
CNCCOc1ccc(cc1)N1Nc2c(-c3ccc(O)cc13)c(=O)oc1cc(O)ccc21
Cc1cc(ccc1OCCN1CCC=C(C1)C(O)=O)N1Nc2cc(O)ccc2-c2c1c1ccc(O)cc1oc2=O |c:14|
Cc1cc(ccc1OCCN1CCC=C(C1)C(O)=O)N1Nc2c(-c3ccc(O)cc13)c(=O)oc1cc(O)ccc21 |c:14|
Oc1ccc-2c(NN(CC(=O)COCN3CCCCC3)c3c-2c(=O)oc2cc(O)ccc32)c1
Oc1ccc-2c(c1)N(CC(=O)COCN1CCCCC1)Nc1c-2c(=O)oc2cc(O)ccc12
Cc1cc(ccc1OCCN1CCC=C(C1)C(O)=O)C(=O)CNc1c(-c2ccc(O)cc2)c(=O)oc2cc(O)ccc12 |c:14|
Nc1ccc(cc1)-c1c(C(=O)c2ccc(OCCN3CC(=CCC3=O)C(O)=O)cc2)c2ccc(O)cc2[nH]c1=O |c:21|
Nc1ccc(cc1)-c1c(C(=O)c2ccc(OCCN3CC(=CCC3=O)C(O)=O)cc2)c2ccc(O)cc2oc1=O |c:21|
Nc1ccc(cc1)-c1c(C(=O)c2ccc(OCCNS(O)(=O)=O)cc2)c2ccc(O)cc2oc1=O
Oc1ccc(cc1)-c1oc(=O)c2cc(O)ccc2c1C(=O)c1ccc(OCCN2Cc3ccccc3C=C2)cc1 |c:40|
Oc1ccc(cc1)-c1oc(=O)c2cc(O)ccc2c1C(=O)c1ccc(OCCN2C(=O)CCC2=O)cc1
Cc1cc(ccc1OCCN1Cc2ncccc2C=C1)C(=O)C1=C(COc2cc(O)ccc12)c1ccc(O)cc1 |c:20,t:25|
Cc1cc(ccc1OCCN1Cc2cccnc2C1)C(=O)C1=C(COc2cc(O)ccc12)c1ccc(O)cc1 |t:24|
CC(CN1CCCC2CCCNC12)OCC(=O)N1Nc2cc(O)ccc2C2COc3cc(O)ccc3C12
CC(CN1CCCC2CCCNC12)OCC(=O)N1NC2C(COc3cc(O)ccc23)c2ccc(O)cc12
CCSC1=C(C(=O)c2ccc(O)cc12)c1ccc(O)cc1 |t:3|
COc1ccc2C(=O)C(=C(Br)c2c1)c1ccc(O)cc1 |t:8|
Oc1ccc(cc1)C1=C(c2cc(O)cc(O)c2C1=O)c1ccccc1 |t:8|
CC1=C(C(=O)c2cc(O)ccc12)c1ccc(O)cc1 |t:1|
Oc1ccc(cc1)C1=C(Br)c2cc(O)ccc2C1=O |c:8|
CSC1=C(C(=O)c2cc(O)cc(O)c12)c1ccc(O)cc1 |t:2|
Oc1ccc(cc1)C1C(=O)c2cc(O)cc(O)c2C1=O
NC1=C(C(=O)c2cc(O)ccc12)c1ccc(O)cc1 |t:1|
CCN=C1C(C(=O)c2cc(O)cc(O)c12)c1ccc(O)cc1 |w:2.1|
Oc1ccc(cc1)C1=C(Br)c2c(cc(O)cc2O)C1=O |c:8|
CCSC1=C(C(=O)c2cc(O)cc(O)c12)c1ccc(O)cc1 |t:3|
CC1=C(C(=O)c2c1cc(O)cc2O)c1ccc(O)cc1 |t:1|
c1cc(ccc1C2=C(c3ccc(cc3C2=O)O)Br)O
Oc1ccc(cc1)C1=C(c2cc(O)ccc2C1=O)c1ccccc1 |t:8|
CC1=C(C(=O)c2ccc(O)cc12)c1ccc(O)cc1 |t:1|
Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1=O)c1ccccc1 |t:8|
CCSC1=C(C(=O)c2cc(O)ccc12)c1ccc(O)cc1 |t:3|
CSC1=C(C(=O)c2ccc(O)cc12)c1ccc(O)cc1 |t:2|
CSC1=C(C(=O)c2cc(O)ccc12)c1ccc(O)cc1 |t:2|
COc1cc(O)cc2C(=O)C(=C(Br)c12)c1ccc(O)cc1 |t:10|
Oc1ccc(cc1)C1=C(c2c(cc(O)cc2O)C1=O)c1ccccc1 |t:8|
Oc1ccc(cc1)C1C(=O)c2ccc(O)cc2C1=O
CN1C2=C(C(NC1=O)c1ccc(cc1)C(F)(F)F)C(=O)c1ccccc21 |c:2|
CN1C2=C(C(NC1=O)c1ccc(O)cc1)C(=O)c1ccccc21 |c:2|
CN(C)CCN1C(C2=C(N(C)C1=O)c1ccccc1C2=O)c1ccc(cc1)C(F)(F)F |c:7|
CN1C2=C(C(N(CCN3CCNCC3)C1=O)c1ccc(cc1)C(F)(F)F)C(=O)c1ccccc21 |c:2|
CN1CCN(CCN2C(C3=C(N(C)C2=O)c2ccccc2C3=O)c2ccc(cc2)C(F)(F)F)CC1 |c:9|
CN(CCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1)N1C(C2=C(N(C)C1=O)c1ccccc1C2=O)c1ccc(cc1)C(F)(F)F |c:26|
CN1C2=C(C(N(CCN(CCO)CCO)C1=O)c1ccc(cc1)C(F)(F)F)C(=O)c1ccccc21 |c:2|
CN(C)CCOc1ccc(cc1)C1NC(=O)N(C)C2=C1C(=O)c1ccccc21 |c:19|
CN1C2=C(C(NC1=O)c1ccc(OCCN3CCNCC3)cc1)C(=O)c1ccccc21 |c:2|
CN1CCN(CCOc2ccc(cc2)C2NC(=O)N(C)C3=C2C(=O)c2ccccc32)CC1 |c:21|
CN(CCOc1ccc(cc1)C1NC(=O)N(C)C2=C1C(=O)c1ccccc21)CCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |c:18|
CN1C2=C(C(NC1=O)c1ccc(OCCN(CCO)CCO)cc1)C(=O)c1ccccc21 |c:2|
CN1C2=C(C(NC1=O)c1ccc(OCCN3CCN(CC(F)(F)F)CC3)cc1)C(=O)c1ccccc21 |c:2|
CN(C)CCOc1ccc(cc1)C1N(CC(F)(F)F)C(=O)N(C)C2=C1C(=O)c1ccccc21 |c:24|
CN1CCN(CCOc2ccc(cc2)C2N(CC(F)(F)F)C(=O)N(C)C3=C2C(=O)c2ccccc32)CC1 |c:26|
CN1C2=C(C(N(CC(F)(F)F)C1=O)c1ccc(OCCN3CCN(CC(F)(F)F)CC3)cc1)C(=O)c1ccccc21 |c:2|
Oc1ccc2c(c1)sc1c3ccccc3n(Cc3ccc(OCCN4CCCCCC4)cc3)c21
Oc1ccc2c(c1)sc1c3ccccc3n(Cc3ccc(OCCN4CCCCC4)cc3)c21
Oc1ccc2c(c1)sc1c3ccccc3n(Cc3ccc(OCCN4CCOCC4)cc3)c21
Oc1ccc2c(c1)sc1c3cc(O)ccc3n(Cc3ccc(OCCN4CCCCC4)cc3)c21
Oc1ccc2c(c1)sc1c3cc(O)ccc3n(Cc3ccc(OCCN4CCCC4)cc3)c21
CCN(CC)CCOc1ccc(Cn2c3ccccc3c3sc4cc(O)ccc4c23)cc1
CN(C)CCOc1ccc(Cn2c3ccc(O)cc3c3sc4cc(O)ccc4c23)cc1
Oc1ccc2c(c1)sc1c3cc(O)ccc3n(Cc3ccc(OCCN4CCOCC4)cc3)c21
CN(C)CCOc1ccc(Cn2c3ccccc3c3sc4cc(O)ccc4c23)cc1
Oc1ccc2c(c1)sc1c3cc(O)ccc3n(Cc3ccc(OCCN4CCCCCC4)cc3)c21
CCN(CC)CCOc1ccc(Cn2c3ccc(O)cc3c3sc4cc(O)ccc4c23)cc1
Oc1ccc2c(c1)sc1c3ccccc3n(Cc3ccc(OCCN4CCCC4)cc3)c21
C[C@H]1C[C@H](C)O[C@@]2(CCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O1 |t:9|
C[C@H]1OC2(CCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O[C@@H]1C |t:6|
C[C@]12Cc3cnn(c3C=C1CCC21O[C@H](C=C)[C@H](O1)C=C)-c1ccc(F)cc1 |c:9|
C[C@]12Cc3cnn(c3C=C1CCCC21OCCO1)-c1ccc(F)cc1 |c:9|
C[C@]12Cc3cnn(c3C=C1CCCC21O[C@H](C=C)[C@H](O1)C=C)-c1ccc(F)cc1 |c:9|
C[C@]12Cc3cnn(c3C=C1CCC21OCCO1)-c1ccc(F)cc1 |c:9|
Oc1ccc(CNc2nc(Cl)nc3scc(-c4ccccc4)c23)cc1
Cc1csc2nc(Cl)nc(NCc3ccc(O)cc3)c12
CC(C)c1csc2nc(Cl)nc(NCc3ccc(O)cc3)c12
CC(C)Cc1csc2nc(Cl)nc(NCc3ccc(O)cc3)c12
CC(C)(C)c1csc2nc(Cl)nc(NCc3ccc(O)cc3)c12
Oc1ccc(CNc2nc(Cl)nc3scc(C4CCCCC4)c23)cc1
Oc1ccc(CNc2nc(Cl)nc3scc(-c4ccccc4Cl)c23)cc1
Nc1ccc(CNc2nc(Cl)nc3scc(-c4ccccc4)c23)cc1
Oc1cccc(CNc2nc(Cl)nc3scc(-c4ccccc4)c23)c1
Oc1ccc(CNc2nc(Cl)nc3scc(-c4ccccc4)c23)cc1O
Clc1nc(NCc2ccccc2)c2c(csc2n1)-c1ccccc1
Oc1ccc(CCNc2nc(Cl)nc3scc(-c4ccccc4)c23)cc1
COc1sc2nc(Cl)nc(NCc3ccc(O)cc3)c2c1-c1ccccc1
Oc1ccc(CNc2nc(Cl)nc3SC(=O)C(c23)c2ccccc2)cc1
CC(C)Cc1csc2nc(C)nc(NCc3ccc(O)cc3)c12
[#6]-c1cc(F)ccc1-[#6]-1=[#6](-c2ccc(\[#6]=[#6]-3\[#6]-[#7](-[#6]-[#6]-[#6](F)F)-[#6]-3)cc2)-c2ccc(cc2-[#6]-[#6]-[#6]-1)-[#6](-[#8])=O |c:9|
[#6]-c1cc(ccc1-[#6]-1=[#6](-c2ccc(\[#6]=[#6]-3\[#6]-[#7](-[#6]-[#6]-[#6]F)-[#6]-3)cc2)-c2ccc(cc2-[#6]-[#6]-[#6]-1)-[#6](-[#8])=O)-[#6]-1-[#6]-[#6]-1 |c:8|
[#8]-[#6](=O)-c1ccc-2c(-[#6]-[#6]-[#6]-[#6](-c3ccc(cc3Cl)C(F)(F)F)=[#6]-2-c2ccc(\[#6]=[#6]-3\[#6]-[#7](-[#6]-[#6]-[#6]F)-[#6]-3)cc2)c1 |c:23|
[#8]-[#6](=O)-c1ccc-2c(-[#6]-[#6]-[#6]-[#6](-c3ccc(Cl)cc3Cl)=[#6]-2-c2cc(F)c([#6]=[#6]-3[#6]-[#7](-[#6]-[#6]-[#6]F)-[#6]-3)c(F)c2)c1
[#8]-[#6](=O)-c1ccc-2c(-[#6]-[#6]-[#6]-[#6](-c3cc(ccc3C(F)(F)F)C(F)(F)F)=[#6]-2-c2ccc(\[#6]=[#6]-3\[#6]-[#7](-[#6]-[#6]-[#6]F)-[#6]-3)cc2)c1 |c:26|
[#8]-c1ccc-2c(-[#6]-[#6]-[#6]-[#6](-c3ccc(Cl)cc3Cl)=[#6]-2-c2ccc(\[#6]=[#6]-3\[#6]-[#7](-[#6]-[#6]-[#6]F)-[#6]-3)cc2)c1 |c:18|
Oc1ccc(cc1)-c1ccc2c(O)cccc2c1
Oc1ccc(cc1)-c1cc(Cl)c2c(Cl)c(O)ccc2c1
Oc1ccc(cc1F)-c1ccc2c(Cl)c(O)ccc2c1
Oc1ccc2cc(ccc2c1Cl)-c1cc(F)c(O)c(F)c1
Oc1ccc(cc1F)-c1ccc2c(Cl)c(O)cc(C#N)c2c1
Oc1ccc(cc1)-c1ccc2ccc(O)cc2c1
Oc1ccc2cc(cc(C#C)c2c1)-c1ccc(O)c(F)c1
Oc1ccc2cc(ccc2c1)-c1c(F)cc(O)cc1F
Oc1ccc(cc1)-c1ccc2cc(O)cc(C#N)c2c1
Oc1ccc(cc1F)-c1cc(C#N)c2c(F)c(O)ccc2c1
Oc1ccc(cc1F)-c1cc(F)c2c(Cl)c(O)ccc2c1
CCc1cc(cc2ccc(O)cc12)-c1ccc(O)c(F)c1
Oc1ccc2cc(cc(C=C)c2c1)-c1ccc(O)c(F)c1
CC#Cc1cc(cc2ccc(O)cc12)-c1ccc(O)c(F)c1
CC#Cc1cc(O)cc2ccc(cc12)-c1ccc(O)c(F)c1
COc1c(O)ccc2cc(ccc12)-c1ccc(O)cc1
Oc1ccc2cc(cc(C#N)c2c1)-c1ccc(O)c(F)c1
Oc1ccc2cc(cc(C#N)c2c1)-c1cc(F)c(O)c(F)c1
Oc1ccc(cc1)-c1cc(F)c2cc(O)ccc2c1
Oc1ccc(cc1)-c1cc(C#N)c2c(Cl)c(O)ccc2c1
Oc1ccc2cc(ccc2c1)-c1cc(F)c(O)cc1F
Oc1ccc(cc1)-c1ccc2c(Br)c(O)ccc2c1
Oc1ccc2ccc(cc2c1)-c1ccccc1
Oc1ccc(cc1)-c1cc(C#N)c2cc(O)ccc2c1
Oc1ccc(c(F)c1)-c1ccc2cc(O)ccc2c1
Oc1ccc(cc1F)-c1ccc2c(C#N)c(O)cc(C#N)c2c1
Oc1ccc(cc1)-c1ccc2c(Cl)c(O)cc(C#N)c2c1
Oc1cccc(c1)-c1ccc2ccc(O)cc2c1
Oc1ccc(cc1)-c1ccc2c(c(O)ccc2c1)-c1ccccc1
Oc1cc(C=O)c2cc(ccc2c1)-c1ccc(O)c(F)c1
Oc1ccc(cc1)-c1cc(F)c2c(Cl)c(O)ccc2c1
Cc1cc(O)ccc1-c1ccc2c(Cl)c(O)ccc2c1
Oc1ccc2cc(ccc2c1)-c1ccc(O)c(F)c1
Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Cc1c(O)cc(C#N)c2cc(ccc12)-c1ccc(O)c(F)c1
Oc1ccc(cc1)-c1ccc2c(c(O)ccc2c1)[N+]([O-])=O
CCc1cc(O)cc2ccc(cc12)-c1ccc(O)c(F)c1
Oc1ccc(cc1F)-c1ccc2c(Br)c(O)cc(C#N)c2c1
Oc1ccc(cc1Cl)-c1ccc2c(Cl)c(O)ccc2c1
Oc1ccc2cc(cc(C#N)c2c1)-c1c(F)cc(O)cc1F
Oc1ccc(c(F)c1)-c1ccc2c(Cl)c(O)ccc2c1
Oc1cc(C#C)c2cc(ccc2c1)-c1ccc(O)c(F)c1
Oc1ccc2cc(ccc2c1)-c1ccccc1O
Oc1ccc(cc1)-c1ccc2c(F)c(O)ccc2c1
Oc1ccc(cc1)-c1ccc2cc(O)ccc2c1
Oc1ccc(c(Cl)c1)-c1ccc2c(Cl)c(O)ccc2c1
Oc1cccc(c1)-c1ccc2c(O)cccc2c1
Oc1ccc2cc(cc(C#N)c2c1)-c1cc(F)c(O)cc1F
Oc1ccc(c(Cl)c1)-c1ccc2cc(O)ccc2c1
Oc1ccc(cc1)-c1cc(Cl)c2cc(O)ccc2c1
Oc1ccc2cc(ccc2c1)-c1cc(F)c(O)c(F)c1
Oc1cc(C=C)c2cc(ccc2c1)-c1ccc(O)c(F)c1
Oc1ccc2cc(ccc2c1)-c1ccccc1
Oc1ccc(cc1)-c1cc(C#N)c2c(Br)c(O)ccc2c1
Cc1cc(O)ccc1-c1ccc2cc(O)ccc2c1
Oc1ccc2cc(cc(C=O)c2c1)-c1ccc(O)c(F)c1
Oc1cc(F)c(cc1F)-c1ccc2c(Cl)c(O)ccc2c1
Oc1cc(C#N)c2cc(ccc2c1)-c1ccc(O)c(F)c1
Oc1ccc(cc1)-c1ccc2ccccc2c1
Oc1ccc(cc1)-c1ccc2c(C#N)c(O)ccc2c1
Cc1c(O)ccc2cc(ccc12)-c1ccc(O)cc1
Oc1ccc(c(F)c1)-c1cc(C#N)c2cc(O)ccc2c1
Oc1cc(F)c(c(F)c1)-c1ccc2c(Cl)c(O)ccc2c1
Oc1ccc2cc(cc(F)c2c1)-c1ccc(O)c(F)c1
Oc1ccc(cc1)-c1ccc2c(Cl)c(O)ccc2c1
Oc1ccc2cc(ccc2c1)-c1ccc(O)c(Cl)c1
Oc1ccc(cc1F)-c1cc(C#N)c2c(Cl)c(O)ccc2c1
COc1cc(O)ccc1-c1ccc2cc(O)ccc2c1
CC(O)c1cc(nc2ccc(O)cc12)-c1ccc(O)c(F)c1
Oc1ccc2nc(cc(C=C)c2c1)-c1ccc(O)c(F)c1
Oc1ccc2nc(cc(Cl)c2c1)-c1ccc(O)c(F)c1
Oc1ccc2nc(cc(C#C)c2c1)-c1ccc(O)c(F)c1
Oc1ccc2nc(cc(Br)c2c1)-c1cc(F)c(O)c(F)c1
Oc1ccc2nc(cc(C#N)c2c1)-c1ccc(O)c(F)c1
CC(=O)c1cc(nc2ccc(O)cc12)-c1ccc(O)cc1
COc1cc(nc2ccc(O)cc12)-c1ccc(O)cc1
CCc1cc(nc2ccc(O)cc12)-c1ccc(O)cc1
CC(=O)c1cc(nc2ccc(O)cc12)-c1ccc(O)c(F)c1
Oc1ccc(cc1)-c1cc(Br)c2cc(O)ccc2n1
Oc1ccc2nc(cc(C#C)c2c1)-c1cc(F)c(O)c(F)c1
Oc1ccc(cc1)-c1ccc2c(Br)c(O)ccc2n1
CCc1cc(nc2ccc(O)cc12)-c1ccc(O)c(F)c1
Oc1ccc(cc1)-c1cc(Cl)c2cc(O)ccc2n1
Oc1ccc(cc1)-c1ccc2c(Cl)c(O)ccc2n1
Oc1ccc(cc1)-c1cc(C#C)c2cc(O)ccc2n1
Oc1ccc(cc1)-c1cc(C=C)c2cc(O)ccc2n1
Oc1ccc(cc1)-c1cc(C#N)c2cc(O)ccc2n1
Oc1ccc2nc(cc(-c3ccccc3)c2c1)-c1ccc(O)c(F)c1
Oc1ccc2nc(cc(Br)c2c1)-c1ccc(O)c(F)c1
CCC1=C(C(C(O)=O)c2cc(O)ccc12)c1ccc(O)cc1 |t:2|
CCC1=C(C(C(=O)Nc2ccc(O)cc2)c2cc(O)ccc12)c1ccc(O)cc1 |t:2|
Nc1ccc(cc1)C1=C(Cc2cc(O)ccc12)c1ccc(O)cc1 |t:8|
Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(CBr)cc1 |t:8|
CC(=O)c1ccc(cc1)C1=C(Cc2cc(O)ccc12)c1ccc(O)cc1 |t:10|
Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(OCCN2CCCCC2)cc1 |t:8|
Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(O)cc1 |t:8|
CCC1C(=C(CC)c2ccc(O)cc12)c1ccc(O)cc1 |t:3|
Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(Cl)cc1 |t:8|
Oc1ccc(cc1)C1=C(Cc2ccccc2)c2ccc(O)cc2C1 |c:8|
NC(=O)c1ccc(cc1)C1=C(Cc2cc(O)ccc12)c1ccc(O)cc1 |t:10|
Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccccc1 |t:8|
CCC1=C(C(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c2cc(O)ccc12)c1ccc(O)cc1 |t:2|
Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(cc1)C(F)(F)F |t:8|
Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(F)cc1 |t:8|
CCC1=C(C(C(=O)Nc2ccc(OCCN(C)C)cc2)c2cc(O)ccc12)c1ccc(O)cc1 |t:2|
Cc1ccc(cc1)C1=C(Cc2cc(O)ccc12)c1ccc(O)cc1 |t:8|
CCC1=C(Cc2cc(O)ccc12)c1ccc(O)cc1 |t:2|
C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1)N1CC[C@@H](C)C1
C[C@@H](COc1ccc(cc1)[C@H]1[C@H](CCc2cc(O)ccc12)c1ccccc1)N1CCCC1
C[C@@H]1CCN(CCOc2ccc(cc2)[C@H]2[C@H](CCc3cc(O)ccc23)c2ccccc2)C1
C[C@@H]1CCN(CCOc2ccc(cc2)C(=O)c2c(sc3cc(O)ccc23)-c2ccc(O)cc2)C1
C[C@@H](COc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1)N1CCCC1
C[C@@H](COc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1)N1CCCC1
C[C@@H](COc1ccc(Cn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)cc1)N1CCCC1
C[C@@H]1CCN(CCOc2ccc(Cn3c(c(C)c4cc(O)ccc34)-c3ccc(O)cc3)cc2)C1
Cn1cccc1-c1nc2ccccc2n1-c1ccc(O)cc1
c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccccc1
Oc1ccc(cc1)-c1noc(c1-c1ccccc1)C(F)(F)F
Oc1ccc(cc1)-n1c(nc2ccccc12)-c1ccccc1
Oc1ccc(cc1)-n1c(nc2ccccc12)-c1cccs1
Oc1ccc(cc1)-c1[nH]c(nc1-c1ccccc1)C(F)(F)F
Oc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccccc1
Cc1nocc1-c1nc2ccccc2n1-c1ccc(O)cc1
Oc1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccccc1
Oc1ccc(cc1)-n1c(nc2ccccc12)-c1ccccc1Cl
Oc1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccc(O)cc1
Oc1ccc(cc1)S(=O)(=O)N(CC=C)c1ccccc1
CCCN(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(O)cc1
CCCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(O)c(C)c1
CC(C)N(c1ccccc1)S(=O)(=O)c1ccc(O)cc1
Oc1ccc(cc1)S(=O)(=O)N(c1ccccc1)c1ccccc1
CCCN(c1c(C)cccc1CC)S(=O)(=O)c1ccc(O)c(C)c1
CCN(c1ccccc1OC)S(=O)(=O)c1ccc(O)cc1
CCCN(c1ccccc1)S(=O)(=O)c1ccc(O)cc1
CC1CCc2ccccc2N1S(=O)(=O)c1ccc(O)cc1
CCCN(c1ccccc1Br)S(=O)(=O)c1ccc(O)cc1
CCN(c1ccc(O)cc1)S(=O)(=O)c1ccc(O)cc1
CCCN(c1ccccc1Cl)S(=O)(=O)c1ccc(O)c(C)c1
Oc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc1
CCCN(c1c(C)cccc1Cl)S(=O)(=O)c1ccc(O)c(C)c1
CCCN(c1ccccc1Br)S(=O)(=O)c1ccc(O)c(C)c1
Oc1ccc(cc1)S(=O)(=O)N(C1CCCCC1)c1ccccc1
CCN(c1ccccc1)S(=O)(=O)c1ccc(O)c(C)c1
CCCN(c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(O)c(C)c1
CCCN(c1ccccc1C)S(=O)(=O)c1ccc(O)c(C)c1
CCCN(c1ccccc1F)S(=O)(=O)c1ccc(O)cc1
CCCN(c1c(CC)cccc1CC)S(=O)(=O)c1ccc(O)c(C)c1
CCCCN(c1ccccc1)S(=O)(=O)c1ccc(O)cc1
CCCN(c1ccccc1Cl)S(=O)(=O)c1ccc(O)cc1
CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(O)cc1
CCCN(c1ccccc1Br)S(=O)(=O)c1ccc(O)c(c1)C(F)(F)F
CC(C)(C)CN(c1ccccc1)S(=O)(=O)c1ccc(O)cc1
CCN(c1ccccc1)S(=O)(=O)c1ccc(O)cc1
CCN(c1ccccc1Br)S(=O)(=O)c1ccc(O)cc1
CCCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(O)c(C)c1
CCCN(c1c(C)cccc1Cl)S(=O)(=O)c1ccc(O)cc1
Oc1ccc2c(CCN(c3ccccc3Cl)S2(=O)=O)c1
Cc1cc(O)c(C)c2oc(=O)c3c(C)c(O)ccc3c12
Cc1cc(C)c2c3ccc(O)c(C)c3oc(=O)c2c1
CCC1Oc2c(C)c(O)ccc2-c2c(C)cc(O)cc12
CC1Oc2c(C)c(O)ccc2-c2c(C)cc(O)c(C)c12
Cc1cc(O)cc2oc(=O)c3c(C)c(O)ccc3c12
CCc1c(O)ccc2c3ccc(O)c(F)c3oc(=O)c12
Cc1cc2c3ccc(O)c(C)c3oc(=O)c2cc1Br
Cc1c(O)ccc-2c1OC(C)(C)c1c(C)c(O)ccc-21
Cc1c(O)ccc2c1oc(=O)c1c(O)c(O)ccc21
Cc1cc(O)c(C)c2c1-c1ccc(O)c(C)c1OC2(C)CC=C
Cc1cc(O)cc2COc3c(C)c(O)ccc3-c12
Cc1cc(CC=C)c2c3ccc(O)c(C)c3oc(=O)c2c1
COc1ccc2c3ccc(O)c(C)c3oc(=O)c2c1C
Cc1c(O)ccc2c3ccc(O)c(Br)c3oc(=O)c12
COc1cc(C=C)c2c3ccc(O)c(C)c3oc(=O)c2c1
Cc1c(O)ccc-2c1COc1c(C)c(O)ccc-21
Cc1ccc(C)c2c1c1ccc(O)c(C)c1oc2=O
Cc1c(Cl)c(O)c(C)c2c1c1ccc(O)c(Cl)c1oc2=O
Cc1c(O)ccc2c1oc(=O)c1c(C)c(NS(C)(=O)=O)ccc21
Cc1c(O)ccc2c1oc(=O)c1c(C)c(O)ccc21
CCC1Oc2c(C)c(O)ccc2-c2ccc(O)c(C)c12
Cc1cc(C)c2c3ccc(O)cc3oc(=O)c2c1
Cc1cc(O)c(Cl)c2c1c1ccc(O)c(Cl)c1oc2=O
Cc1c(O)c(Cl)cc2c3ccc(O)c(Cl)c3oc(=O)c12
Cc1cc(O)c(C)c2c1c1ccc(O)c(C)c1oc2=O
CCc1cc(O)cc2c1c1ccc(O)c(C)c1oc2=O
CCc1c(O)ccc2c3ccc(Br)cc3c(=O)oc12
Cc1c(N)ccc2c3ccc(O)c(C)c3oc(=O)c12
Cc1c(O)ccc2c1oc(=O)c1cccc(C=C)c21
Cc1c(O)ccc2c1oc(=O)c1cc(Br)ccc21
Cc1cc(O)cc2c1c1ccc(O)c(C)c1oc2=O
CCc1cc(OC)cc2c1c1ccc(O)c(C)c1oc2=O
Cc1cc(C=C)c2c3ccc(O)c(C)c3oc(=O)c2c1
CCCC1Oc2c(C)c(O)ccc2-c2c(C)cc(O)cc12
Cc1cccc2c1c1ccc(O)c(C)c1oc2=O
C\C=C\c1cccc2c1c1ccc(O)c(C)c1oc2=O
Oc1ccc2c(oc(=O)c3c(Cl)c(O)c(F)cc23)c1Cl
Cc1c(O)ccc2c1oc(=O)c1ccccc21
COc1ccc2c3ccc(O)c(C)c3oc(=O)c2c1
CCc1c(O)ccc2c3ccc(O)c(C)c3oc(=O)c12
Cc1c(O)ccc2c3ccc(O)cc3oc(=O)c12
CC\C=C\c1cc2c3ccc(O)c(C)c3oc(=O)c2cc1Br
COc1cc2c(cc1Br)c1ccc(O)c(C)c1oc2=O
Cc1c(O)ccc2c3ccc(O)c(F)c3oc(=O)c12
Cc1c(O)ccc2c3ccc(NC=O)c(C)c3c(=O)oc12
CCc1c(O)ccc2c1oc(=O)c1c(C)c(O)ccc21
COc1c(C)c(Br)c2c(c1C)c1ccc(O)c(C)c1oc2=O
CC1Oc2c(C)c(O)ccc2-c2c(C)cc(O)cc12
Cc1cc2c(c(C)c1Br)c1ccc(O)c(C)c1oc2=O
CCC1Oc2c(C)c(O)ccc2-c2c(C)cc(O)c(C)c12
COc1c(C)cc2c(c1C)c1ccc(O)c(C)c1oc2=O
Cc1c(O)ccc2c1oc(=O)c1cc(O)ccc21
Cc1cc(Br)c2c3ccc(O)c(C)c3oc(=O)c2c1
CC(C)CC1Oc2c(C)c(O)ccc2-c2c(C)cc(O)cc12
Cc1c(O)ccc2c1oc(=O)c1c(Br)cc(Br)cc21
Cc1cccc2c3ccc(O)c(C)c3oc(=O)c12
Cc1cc(O)c(C)c2oc(=O)c3cc(O)ccc3c12
Cc1c(O)ccc2c3ccc(C=C)cc3c(=O)oc12
Cc1c(O)ccc-2c1CCc1cc(O)cc(C=C)c-21
CC1Oc2c(C)c(O)ccc2-c2ccc(O)c(C)c12
OC(=O)c1ccc2c(CCCC(c3ccc(Cl)c(F)c3Cl)=C2c2ccc(CC3CN(CCCF)C3)cc2)c1
Cc1c(Cl)cccc1C1=C(c2ccc(CC3CN(CCCF)C3)cc2)c2ccc(cc2CCC1)C(O)=O
OC(=O)c1ccc2c(CCCC(c3cccc(Cl)c3C(F)(F)F)=C2c2ccc(CC3CN(CCCF)C3)cc2)c1 |c:23|
OC(=O)c1ccc2c(CCCC(c3cccc(F)c3C(F)(F)F)=C2c2ccc(CC3CN(CCCF)C3)cc2)c1 |c:23|
OC(=O)c1ccc2c(CCCC(c3cccc(F)c3C(F)(F)F)=C2c2ccc(CC3CN(CCC(F)F)C3)cc2)c1 |c:23|
OC(=O)c1ccc2c(CCCC(CC3CCC3)=C2c2ccc(CC3CN(CCCF)C3)cc2)c1 |c:17|
OC(=O)c1ccc2CC3(CC3)c3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1 |(-9.4,1.33,;-7.91,1.73,;-7.52,3.22,;-6.83,.64,;-7.18,-.85,;-6.06,-1.91,;-4.59,-1.47,;-3.64,-2.69,;-2.1,-2.69,;-2.1,-4.23,;-.77,-3.46,;-1.13,-1.51,;.34,-1.97,;1.47,-.93,;2.96,-1.33,;4.05,-.24,;5.53,-.64,;6.08,-2.07,;7.62,-1.99,;8.02,-.51,;6.73,.33,;6.73,1.87,;8.07,2.64,;9.4,1.88,;8.06,4.18,;6.73,4.95,;5.4,4.18,;5.4,2.64,;4.06,1.87,;5.31,-3.41,;3.98,-4.18,;5.31,-4.95,;1.13,.56,;-.33,1.02,;-1.46,-.01,;-2.84,.67,;-4.23,.03,;-5.35,1.09,)|
CCCCC12Cc3cc(O)ccc3C1=C(c1ccco1)C(=O)CC2 |t:15|
CC1=C2c3ccc(O)cc3CC2(CCO)CCC1=O |c:1|
CCCC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:14|
CCCCC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:15|
CC(C)C12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:14|
CCCC[C@]12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:15|
CC1=C2c3ccc(O)cc3CC2(CCC1=O)c1ccccc1 |c:1|
CCCC[C@@]12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:15|
CCCC[C@@]12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:15|
Oc1ccc2C3=CC(=O)CCC3Cc2c1 |t:5|
Oc1ccc2C3=C(Br)C(=O)CCC3(Cc2c1)c1ccccc1 |c:5|
CCCC[C@]12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:15|
CCCC12Cc3cc(O)ccc3C1=CC(=O)CC2 |c:14|
CCCCC12Cc3cc(O)ccc3C1=CC(=O)CC2 |c:15|
CCCCC1=C2c3ccc(O)cc3CC2(CCCC)CCC1=O |c:4|
CCCCC12Cc3cc(O)ccc3C1=C(CCC)C(=O)CC2 |t:15|
CCCC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:14|
Oc1ccc2C3=C(C#N)C(=O)CCC3(Cc2c1)c1ccccc1 |c:5|
CC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:12|
CCCC[C@@]12CCC(=O)C(=C1c3ccc(cc3C2)O)Br
CC12Cc3cc(O)ccc3C1=CC(=O)CC2 |c:12|
CCCCC12Cc3cc(O)ccc3C1=C(C(=O)CC2)c1ccccc1 |c:15|
CCCCC12Cc3cc(O)ccc3C1=C(CC)C(=O)CC2 |t:15|
CCCCC12Cc3cc(O)ccc3C1=C(Cl)C(=O)CC2 |t:15|
CCCCC12Cc3cc(O)ccc3C1=C(C#N)C(=O)CC2 |t:15|
CCCCC12Cc3cc(O)ccc3C1=C(c1cccs1)C(=O)CC2 |t:15|
CCCCCC12Cc3cc(O)ccc3C1=CC(=O)CC2 |c:16|
CCCCC12Cc3cc(O)ccc3C1=C(I)C(=O)CC2 |t:15|
Oc1ccc2C3=C(c4ccco4)C(=O)CCC3(Cc2c1)c1ccccc1 |c:5|
CCC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:13|
CC1=C2c3ccc(O)cc3CC2(C)CCC1=O |c:1|
CCC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:13|
CCCCC12Cc3cc(O)ccc3C1=C(C(=O)CC2)C(F)(F)F |c:15|
CC(C)CC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:15|
CCC12Cc3cc(O)ccc3C1=CC(=O)CC2 |c:13|
Oc1ccc2C3=CC(=O)CCC3(Cc3ccccc3)Cc2c1 |t:5|
CC(F)(F)c1cc(F)ccc1-c1sc2cc(ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1)B(O)O
CC(F)(F)c1cc(F)ccc1-c1sc2cc(ccc2c1Oc1ccc(OCCN2CC[C@@H](CF)C2)cc1)B(O)O |r|
CC(F)(F)c1cc(F)ccc1-c1sc2c3cn[nH]c3ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1
CC(F)(F)c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(OCCN2CC(CC#N)C2)cc1
CC(F)(F)c1cc(F)ccc1-c1sc2c3cn[nH]c3ccc2c1Oc1ccc(OCCN2CC3C(C2)C3(F)F)cc1
CC(F)(F)c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(cc1)S(=O)(=O)CCN1CC(CF)C1
CC(F)(F)c1cc(F)ccc1-c1sc2c3cn[nH]c3ccc2c1Oc1ccc(COCCN2CC(CF)C2)cc1
CC(F)(F)c1cc(Cl)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(OC2CN(CCCF)C2)cc1
CC(F)(F)c1cc(Cl)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(O[C@@H]2CCN(CCCF)C2)cc1 |r|
CC(F)(F)c1cc(Cl)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(OC[C@H]2CCCN2CCCF)cc1 |r|
CC(F)(F)c1cc(Cl)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(NC2CN(CCCF)C2)cc1
CC(F)(F)c1cc(Cl)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(N[C@@H]2CCN(CCCF)C2)cc1 |r|
CC(F)(F)c1cc(Cl)ccc1-c1sc2cc(ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1)C(O)=O
CC(F)(F)c1cc(Cl)ccc1-c1sc2cc(ccc2c1Oc1ccc(O[C@@H]2CCN(CCCF)C2)cc1)C(O)=O |r|
CC(F)(F)c1cc(Cl)ccc1-c1sc2cc(ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1)C(O)=O
CC(F)(F)c1cc(Cl)ccc1-c1sc2cc(ccc2c1Oc1ccc(NC2CN(CCCF)C2)cc1)C(O)=O
CC(c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(OC2CN(CCCF)C2)cc1)C(F)(F)F
FCCCN1CC(C1)Nc1ccc(Oc2c(sc3c4cn[nH]c4ccc23)-c2ccc(F)cc2CC(F)(F)F)cc1
CC(C)(F)c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(NC2CN(CCCF)C2)cc1
CC(F)(F)c1cc(F)c(F)cc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(NC2CN(CCCF)C2)cc1
CC(F)(c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(NC2CN(CCCF)C2)cc1)C(F)(F)F
COc1cc(Oc2c(sc3c2ccc2[nH]ncc32)-c2ccc(F)cc2C(C)(F)F)ccc1NC1CN(CCCF)C1
CC(F)(F)c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(NC2CN(CCCF)C2)c(F)c1
COc1cc(Oc2c(sc3c2ccc2[nH]ncc32)-c2cc(F)c(F)cc2C(C)(F)F)ccc1NC1CN(CCCF)C1
COc1cc(Oc2c(sc3c2ccc2[nH]ncc32)-c2ccc(F)cc2CC(F)(F)F)ccc1NC1CN(CCCF)C1
COc1cc(Oc2c(sc3c2ccc2[nH]ncc32)-c2ccc(F)cc2C(C)(C)F)ccc1NC1CN(CCCF)C1
CC(F)(F)c1cc(F)c(F)cc1-c1sc2c3cn[nH]c3ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1
COc1cc(Oc2c(sc3c4cn[nH]c4ccc23)-c2ccc(F)cc2C(C)(F)F)ccc1OC1CN(CCCF)C1
COc1cc(Oc2c(sc3c4cn[nH]c4ccc23)-c2cc(F)c(F)cc2C(C)(F)F)ccc1OC1CN(CCCF)C1
COc1cc(Oc2c(sc3c4cn[nH]c4ccc23)-c2ccc(F)cc2CC(F)(F)F)ccc1OC1CN(CCCF)C1
COc1cc(Oc2c(sc3c4cn[nH]c4ccc23)-c2ccc(F)cc2C(C)(C)F)ccc1OC1CN(CCCF)C1
CC(F)(F)c1cc(F)ccc1-c1sc2c3cn[nH]c3ccc2c1Oc1ccc(OC2CN(CCCF)C2)c(F)c1
CC(F)(F)c1cc(F)c(F)cc1-c1sc2c3cn[nH]c3ccc2c1Oc1ccc(OC2CN(CCCF)C2)c(F)c1
FCCCN1CC(C1)Oc1ccc(Oc2c(sc3c2ccc2[nH]ncc32)-c2ccc(F)cc2CC(F)(F)F)cc1F
CC(C)(F)c1cc(F)ccc1-c1sc2c3cn[nH]c3ccc2c1Oc1ccc(OC2CN(CCCF)C2)c(F)c1
CC(F)(F)c1cc(ccc1F)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
CC(C)(C)C(=O)Oc1ccc2C3=C(COc2c1)c1ccc(OC(=O)C(C)(C)C)cc1O[C@@H]3c1ccc(OCCN2CCCCC2)cc1 |c:11|
Oc1ccc2C3=C(COc2c1)c1ccc(O)cc1O[C@@H]3c1ccc(OCCN2CCCCC2)cc1 |c:5|
CC(C)(C)C(=O)Oc1ccc2C3=C(COc2c1)c1ccc(OC(=O)C(C)(C)C)cc1O[C@H]3c1ccc(OCCN2CCCCC2)cc1 |c:11|
Oc1ccc2C3=C(COc2c1)c1ccc(O)cc1O[C@H]3c1ccc(OCCN2CCCCC2)cc1 |c:5|
CC12Cc3c(ccc4[nH]ncc34)C1=C(Br)C(=O)CC2 |t:15|
CCCCC12Cc3c(ccc4[nH]ncc34)C1=CC(=O)CC2 |c:18|
CC[C@@]12CCC(=O)C(=C1c1ccc3[nH]ncc3c1C2=O)C(F)(F)F |c:7|
CC[C@]12Cc3c(ccc4[nH]nc(F)c34)C1=C(Cl)C(=O)CC2 |t:17|
CCCCC12Cc3c(ccc4[nH]ncc34)C1=C(C1CC1)C(=O)CC2 |t:18|
CCCC12Cc3c(ccc4[nH]ncc34)C1=C(C)C(=O)CC2 |t:17|
C[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)CC2)C(F)(F)F |c:15|
CCC12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)OC)C(=O)CC2 |t:16|
CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(Br)C(=O)CC2 |t:16|
CCCC[C@@]12CCC(=O)C(=C1c1ccc3[nH]ncc3c1C2=O)C(F)(F)F |c:9|
CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C)C(=O)CC2 |t:16|
CCC12CCC(=O)C(Br)=C1c1ccc3[nH]ncc3c1C2=O |c:8|
CCC12Cc3c(ccc4[nH]nc(Br)c34)C1=C(C)C(=O)CC2 |t:17|
CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)CC2)c1ccccc1 |c:16|
CC[C@]12Cc3c(ccc4n[nH]c(F)c34)C1=C(C(=O)CC2)C(F)(F)F |c:17|
BrC1=C2c3ccc4[nH]ncc4c3C[C@]2(CC2CC2)CCC1=O |c:1|
BrC1=C2c3ccc4[nH]ncc4c3C[C@]2(CCC2CC2)CCC1=O |c:1|
CCC12Cc3c(ccc4[nH]nc(F)c34)C1=C(Br)C(=O)CC2 |t:17|
CCC1=C2c3ccc4[nH]ncc4c3CC2(CC)CCC1=O |c:2|
CCC12Cc3c(ccc4[nH]ncc34)C1=CC(=O)CC2 |c:16|
CCC12CCC(=O)C(C)=C1c1ccc3[nH]ncc3c1C2=O |c:8|
CC[C@@]12Cc3c(ccc4[nH]ncc34)C1=C(C)C(=O)CC2 |t:16|
CCCC12Cc3c(ccc4[nH]ncc34)C1=C(Br)C(=O)CC2 |t:17|
CCCC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)CC2)C(F)(F)F |c:18|
CCCC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(CC)C(=O)CC2 |t:18|
CC1=C2c3ccc4[nH]ncc4c3CC2(C)CCC1=O |c:1|
CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)CC2)C(F)(F)F |c:16|
CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(Cl)C(=O)CC2 |t:16|
CCCC[C@]12Cc3c(ccc4n[nH]c(F)c34)C1=C(C(=O)CC2)C(F)(F)F |c:19|
CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C1CC1)C(=O)CC2 |t:16|
CCCCC12Cc3c(ccc4[nH]ncc34)C1=C(C)C(=O)CC2 |t:18|
CCCC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)OC)C(=O)CC2 |t:18|
CCCCC12Cc3c(ccc4[nH]ncc34)C1=C(Br)C(=O)CC2 |t:18|
CCC12Cc3c(ccc4[nH]nc(Cl)c34)C1=C(C)C(=O)CC2 |t:17|
CCCC[C@]12Cc3c(ccc4n[nH]c(F)c34)C1=C(CC)C(=O)CC2 |t:19|
CC[C@@]12CCC(=O)C(Cl)=C1c1ccc3[nH]ncc3c1C2=O |c:8|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccc2ccccc12)c1ccc([Se]c2ccccc2)cc1 |t:8,TLB:28:8:10:13.12,THB:4:7:10:13.12,14:13:10:7.8|
CCCC[C@]12Cc3c(ccc4nn[nH]c34)C1=C(C(=O)CC2)C(F)(F)F |c:18|
CCCC12Cc3c(ccc4nn[nH]c34)C1=C(C)C(=O)CC2 |t:17|
CCC12Cc3c(ccc4nn[nH]c34)C1=CC(=O)CC2 |c:16|
CCC12Cc3c(ccc4nn[nH]c34)C1=C(Br)C(=O)CC2 |t:16|
CCC1=C2c3ccc4nn[nH]c4c3C[C@@]2(CC)CCC1=O |c:2|
CCCC12Cc3c(ccc4nn[nH]c34)C1=C(CC)C(=O)CC2 |t:17|
CCC1=C2c3ccc4nn[nH]c4c3C[C@]2(CC)CCC1=O |c:2|
CCCCC12Cc3c(ccc4nn[nH]c34)C1=C(c1ccco1)C(=O)CC2 |t:18|
CCC12Cc3c(ccc4nn[nH]c34)C1=C(C(=O)CC2)c1ccc(O)cc1 |c:16|
CCCC[C@]12Cc3c(ccc4nn[nH]c34)C1=C(Br)C(=O)CC2 |t:18|
CCCCC1=C2c3ccc4nn[nH]c4c3CC2(CC)CCC1=O |c:4|
CCCC[C@]12Cc3c(ccc4nn[nH]c34)C1=C(c1cccs1)C(=O)CC2 |t:18|
CC[C@]12Cc3c(ccc4nn[nH]c34)C1=C(C(=O)CC2)C(F)(F)F |c:16|
CCCCC12Cc3c(ccc4nn[nH]c34)C1=C(Br)C(=O)CC2 |t:18|
CCCC1=C2c3ccc4nn[nH]c4c3CC2(CC)CCC1=O |c:3|
CCCC[C@]12Cc3c(ccc4nn[nH]c34)C1=C(CC)C(=O)CC2 |t:18|
CCCCC12Cc3c(ccc4nn[nH]c34)C1=C(CCC)C(=O)CC2 |t:18|
CCCC[C@@]12Cc3c(ccc4nn[nH]c34)C1=C(CC)C(=O)CC2 |t:18|
CCC12Cc3c(ccc4nn[nH]c34)C1=C(C)C(=O)CC2 |t:16|
CCCC1=C2c3ccc4nn[nH]c4c3CC2(CCC)CCC1=O |c:3|
CCC1=C2c3ccc4nn[nH]c4c3CC2(CC)CCC1=O |c:2|
CCCCC12Cc3c(ccc4nn[nH]c34)C1=C(C)C(=O)CC2 |t:18|
CCCC12Cc3c(ccc4nn[nH]c34)C1=C(Br)C(=O)CC2 |t:17|
COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)N(C)CCOc1ccc(cc1)C(=C1CCC(C)CC1)c1ccc(O)cc1 |(-4.67,-.77,;-6,-0,;-6,1.54,;-7.33,2.3,;-7.34,3.84,;-6,4.62,;-6,6.16,;-7.34,6.93,;-8.67,6.16,;-8.67,4.62,;-9.99,3.85,;-9.99,2.31,;-8.66,1.54,;-11.33,4.61,;-12.67,3.84,;-12.67,2.3,;-11.33,6.16,;-12.67,6.93,;-14,6.16,;-10,6.92,;-4.67,3.85,;-4.67,2.31,;-3.34,1.54,;-2,2.31,;-2,3.85,;-.67,1.54,;-.67,,;.67,2.31,;2,1.54,;3.33,2.31,;4.67,1.54,;6,2.31,;7.33,1.54,;7.33,0,;6,-.77,;4.67,-.01,;8.66,-.77,;10,0,;10,1.54,;11.33,2.31,;12.67,1.54,;14,2.31,;12.67,0,;11.33,-.77,;8.66,-2.31,;10,-3.08,;10,-4.62,;8.66,-5.39,;8.66,-6.93,;7.33,-4.62,;7.32,-3.08,)|
CC[C@@H]1CC[C@@H]2C[C@]11Cc3cc(O)ccc3C1=C(C)C2=O |t:19|
CCC[C@@H]1C[C@@H]2C[C@]11Cc3cc(O)ccc3C1=C(C)C2=O |t:19|
CCC[C@]12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:14|
CC[C@H]1CC[C@@H]2C[C@]11Cc3cc(O)ccc3C1=C(C)C2=O |t:19|
CCC[C@H]1CC[C@@H]2C[C@]11Cc3cc(O)ccc3C1=C(C)C2=O |t:20|
CC1=C2c3ccc(O)cc3C[C@@]22CCC[C@H](C2)C1=O |c:1|
CC[C@]12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:13|
CCC[C@@H]1CC[C@@H]2C[C@]11Cc3cc(O)ccc3C1=C(C)C2=O |t:20|
CC1=C2c3ccc(O)cc3C[C@@]22CC[C@H](C2)C1=O |c:1|
CNc1c(CN=O)ccc(-c2ccc(O)cc2)c1-c1ccccc1
Oc1ccc2C3=C(C(=O)CCC3(Cc3ccc(Cl)cc3)Cc2c1)c1ccc(OCCN2CCCCC2)cc1 |t:5|
O=C1CCC2(Cc3ccccc3)Cc3c(ccc4[nH]ncc34)C2=C1 |c:26|
CC1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:1|
O=C1CCC2(Cc3ccccc3)Cc3c(ccc4n[nH]cc34)C2=C1c1ccc(OCCN2CCCCC2)cc1 |c:26|
CC1=C2c3ccc(O)cc3CC2(Cc2ccc(Cl)cc2)CCC1=O |c:1|
CC1=C2c3ccc4nn[nH]c4c3CC2(Cc2ccc(F)cc2)CCC1=O |c:1|
Oc1ccc(cc1)C1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:8|
CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccc3ccccc3c2)CCC1=O |c:1|
CCCCC1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:4|
CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccc(F)cc2)CCC1=O |c:1|
CC1=C2c3ccc4nn[nH]c4c3CC2(Cc2ccccc2)CCC1=O |c:1|
Oc1ccc2C3=C(C(=O)CCC3(Cc3ccccc3)Cc2c1)c1ccc(OCCN2CCCCC2)cc1 |t:5|
CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2cccc(F)c2)CCC1=O |c:1|
Oc1ccc2C3=C(C(=O)CCC3(Cc3ccccc3)Cc2c1)c1ccc(OCCN2CCOCC2)cc1 |t:5|
CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccccc2)CCC1=O |c:1|
CN(C)CCOc1ccc(cc1)C1=C2c3ccc(O)cc3CC2(Cc2ccccc2)CCC1=O |c:13|
CC1=C2c3ccc4[nH]ncc4c3CC2(Cc2ccccc2F)CCC1=O |c:1|
C[C@]12CCC3C(C1CCC2=O)[C@H](CCCCCCCC[C@H](CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)=O)Cc1cc(O)ccc31
[H][C@@]1([#6]-[#6][C@]2([#6])[C@]1([H])[#6@H](-[#8])-[#6][C@]1([H])[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[C@]3([H])[#6]-[#6][C@@]21[#6])[C@@]([#6])([#8])[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
COc1ccc(N2C(=O)c3ccc(O)cc3C2=O)c(OC)c1
Oc1ccc2C(=O)N(C(=O)c2c1)c1cccc(O)c1
Oc1ccc2C(=O)N(C(=O)c2c1)c1ccc(O)cc1F
Oc1ccc2C(=O)N(C(=O)c2c1)c1ccc(O)cc1[N+]([O-])=O
COc1ccc(cc1)N1C(=O)c2ccc(O)cc2C1=O
O[C@H]1CC[C@@H](CC1)N1C(=O)c2ccc(O)cc2C1=O |wU:4.7,wD:1.0,(7.28,-26.5,;8.6,-27.3,;8.57,-28.84,;9.88,-29.64,;11.24,-28.9,;11.27,-27.34,;9.94,-26.55,;12.78,-28.81,;13.63,-30.09,;13.1,-31.54,;15.11,-29.67,;16.41,-30.49,;17.77,-29.79,;17.83,-28.24,;19.2,-27.52,;16.53,-27.42,;15.18,-28.13,;13.74,-27.6,;13.31,-26.11,)|
Oc1ccc(cc1)N1C(=O)c2cc(O)cc(Br)c2C1=O
Oc1ccc(cc1)N1C(=O)c2ccc(O)cc2C1=O
COc1ccc(N2C(=O)c3ccc(O)cc3C2=O)c(c1)[N+]([O-])=O
Cc1cc(O)ccc1N1C(=O)c2ccc(O)cc2C1=O
Oc1ccc2C(=O)N(C(=O)c2c1)c1ccc(O)c2ccccc12
COc1cc2C(=O)N(C(=O)c2c(Br)c1)c1ccc(O)cc1
Oc1ccc2C(=O)N(C(=O)c2c1)c1cccc2c(O)cccc12
Oc1ccc2C(=O)N(C(=O)c2c1)c1ccccc1
Oc1ccc2C(=O)N(C(=O)c2c1)c1cc(O)cc(O)c1
Oc1ccc(cc1)N1C(=O)c2ccccc2C1=O
Oc1ccc(cc1)-c1ccc(CN=O)c2ccoc12
Oc1ccc(cc1)-c1ccc(CN=O)c2sccc12
Cc1c(CN=O)c2ccccc2n1-c1ccc(O)cc1
Oc1ccc(cc1F)-c1ccc(CN=O)c2ccccc12
Oc1ccc(cc1)-c1ccc(CN=O)c2ccsc12
Oc1ccc(cc1)-n1cc(CN=O)c2ccccc12
Oc1ccc(cc1)-c1ccc(CN=O)c2occc12
Oc1ccc(cc1)-c1ccc(CN=O)c2ccccc12
Oc1ccc(cc1F)-c1cc(Cl)c(CN=O)c(Cl)c1
Cc1c(CN=O)c2ccccc2n1-c1ccc(O)c(F)c1
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(cc1)-n1cncn1)c1ccc(O)cc1 |t:8,TLB:29:8:10:12.13,THB:14:13:10:8.7,4:7:10:12.13|
Cn1cc(cn1)-c1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(O)cc2)cc1 |c:21,TLB:11:14:17:19.20,21:20:17:15.14,THB:28:19:17:15.14|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccccc1)c1ccc(cc1)-n1ccnc1 |t:8,TLB:24:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccccc1C(F)(F)F)c1ccc(cc1)-n1ccnc1 |t:8,TLB:28:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccc(c1)C(F)(F)F)c1ccc(cc1)-n1ccnc1 |t:8,TLB:28:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(cc1)C(F)(F)F)c1ccc(cc1)-n1ccnc1 |t:8,TLB:28:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccccc1Br)c1ccc(cc1)-n1ccnc1 |t:8,TLB:25:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccc(Br)c1)c1ccc(cc1)-n1ccnc1 |t:8,TLB:25:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1cccc(Br)c1)c1ccc(cc1)-n1ccnc1 |t:8,TLB:25:8:13:10.11,THB:4:7:13:10.11,14:11:13:7.8|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(Br)cc1)c1ccc(cc1)-n1ccnc1 |t:8,TLB:25:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1cccc2ccccc12)c1ccc(cc1)-n1ccnc1 |t:8,TLB:28:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc2ccccc2c1)c1ccc(cc1)-n1ccnc1 |t:8,TLB:28:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
COc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(cc2)-n2ccnc2)cc1 |c:16,TLB:17:16:13:11.10,7:10:13:15.16,THB:24:15:13:11.10|
Cc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(cc2)-n2ccnc2)cc1 |c:15,TLB:16:15:12:10.9,6:9:12:14.15,THB:23:14:12:10.9|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(F)cc1)c1ccc(cc1)-n1ccnc1 |t:8,TLB:25:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(F)cc1)c1ccc(cc1)-n1ccnc1 |t:8,TLB:25:8:13:10.11,THB:4:7:13:10.11,14:11:13:7.8|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(cc1)C(F)(F)F)c1ccc(cc1)-n1cncn1 |t:8,TLB:28:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(Br)cc1)c1ccc(cc1)-n1cncn1 |t:8,TLB:25:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(Cl)cc1)c1ccc(cc1)-n1cncn1 |t:8,TLB:25:8:10:12.13,THB:4:7:10:12.13,14:13:10:8.7|
COc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(cc2)-n2cncn2)cc1 |c:16,TLB:17:16:13:11.10,7:10:13:15.16,THB:24:15:13:11.10|
Cc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(cc2)-n2cncn2)cc1 |c:15,TLB:16:15:12:10.9,6:9:12:14.15,THB:23:14:12:10.9|
Cn1cc(cn1)-c1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(cc1)C(F)(F)F)c1ccc(O)cc1 |t:14,TLB:33:13:18:15.16,THB:19:16:18:12.13,9:12:18:15.16|
Cn1cc(cn1)-c1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(Br)cc1)c1ccc(O)cc1 |t:14,TLB:30:13:18:15.16,THB:19:16:18:12.13,9:12:18:15.16|
COc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(cc2)-c2cnn(C)c2)cc1 |c:16,TLB:7:10:13:15.16,17:16:13:11.10,THB:24:15:13:11.10|
CN(c1ccccc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-n1ccnc1 |c:18,TLB:18:17:14:12.11,8:11:14:16.17,THB:25:16:14:12.11|
COc1ccc(cc1)N(C)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-n1ccnc1 |c:20,TLB:20:19:16:14.13,10:13:16:18.19,THB:27:18:16:14.13|
CCN(c1ccccc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-n1ccnc1 |c:19,TLB:19:18:15:13.12,9:12:15:17.18,THB:26:17:15:13.12|
CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-n1ccnc1 |c:21,TLB:21:20:17:15.14,11:14:17:19.20,THB:28:19:17:15.14|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)N(CC(F)(F)F)c1ccccc1)c1ccc(cc1)-n1ccnc1 |t:8,TLB:29:8:10:12.13,THB:14:13:10:8.7,4:7:10:12.13|
COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-n1ccnc1 |c:24,TLB:24:23:20:18.17,14:17:20:22.23,THB:31:22:20:18.17|
CN(c1ccccc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-c1cnn(C)c1 |c:18,TLB:8:11:14:16.17,18:17:14:12.11,THB:25:16:14:12.11|
COc1ccc(cc1)N(C)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-c1cnn(C)c1 |c:20,TLB:10:13:16:18.19,20:19:16:14.13,THB:27:18:16:14.13|
CCN(c1ccccc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-c1cnn(C)c1 |c:19,TLB:9:12:15:17.18,19:18:15:13.12,THB:26:17:15:13.12|
CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-c1cnn(C)c1 |c:21,TLB:11:14:17:19.20,21:20:17:15.14,THB:28:19:17:15.14|
Cn1cc(cn1)-c1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)N(CC(F)(F)F)c1ccccc1)c1ccc(O)cc1 |t:14,TLB:34:13:18:15.16,THB:19:16:18:12.13,9:12:18:15.16|
COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-c1cnn(C)c1 |c:24,TLB:14:17:20:22.23,24:23:20:18.17,THB:31:22:20:18.17|
CN(c1ccccc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-n1cncn1 |c:18,TLB:18:17:14:12.11,8:11:14:16.17,THB:25:16:14:12.11|
COc1ccc(cc1)N(C)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-n1cncn1 |c:20,TLB:20:19:16:14.13,10:13:16:18.19,THB:27:18:16:14.13|
CCN(c1ccccc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-n1cncn1 |c:19,TLB:19:18:15:13.12,9:12:15:17.18,THB:26:17:15:13.12|
CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-n1cncn1 |c:21,TLB:21:20:17:15.14,11:14:17:19.20,THB:28:19:17:15.14|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)N(CC(F)(F)F)c1ccccc1)c1ccc(cc1)-n1cncn1 |t:8,TLB:29:8:10:12.13,THB:14:13:10:8.7,4:7:10:12.13|
COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(cc1)-n1cncn1 |c:24,TLB:24:23:20:18.17,14:17:20:22.23,THB:31:22:20:18.17|
CCN(c1ccccc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1cnn(C)c1 |c:19,TLB:9:12:15:18.17,19:18:15:12.13,THB:26:17:15:12.13|
CCN(c1ccccc1)S(=O)(=O)C1CC2OC1C(=C2c1cnn(C)c1)c1ccc(O)cc1 |c:19,TLB:19:18:12.13:15,9:12:18.17:15,THB:25:17:12.13:15|
CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1cnn(C)c1 |c:21,TLB:11:14:17:19.20,21:20:17:15.14,THB:28:19:17:15.14|
CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(=C2c1cnn(C)c1)c1ccc(O)cc1 |c:21,TLB:11:14:17:19.20,21:20:17:15.14,THB:27:19:17:15.14|
COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1 |c:24,TLB:24:23:17.18:20,14:17:23.22:20,THB:31:22:17.18:20|
CCCCCCCCCCCCNc1c(Cc2ccccc2C)c(=O)oc2ccccc12
C[C@H](NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1)c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CC[C@H](C)C2)cc1
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCN3CCCCC3)ccc12)-c1ccccc1
CC(CCc1ccccc1)NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1 |w:1.0|
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2c(OCCN3CCCCC3)cccc12)-c1ccccc1
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2c(OCCCN3CCCCC3)cccc12)-c1ccccc1
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccc(OCCCCCN3CCCCC3)cc12)-c1ccccc1
C[C@@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)n(C(=O)c2ccc(OCCN3CCCCC3)cc2)c2ccccc12
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cccc(OCCN3CCCCC3)c12)-c1ccccc1
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccc(OCCCN3CCCCC3)cc12)-c1ccccc1
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCCCN3CCCCC3)ccc12)-c1ccccc1
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccc(OCCCCN3CCCCC3)cc12)-c1ccccc1
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
C[C@H](NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1)c1c(C)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCCN3CCCCC3)ccc12)-c1ccccc1
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)n(Cc2ccc(OCCCN3CCCCC3)cc2)c2ccccc12
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCCN3CCCC3)ccc12)-c1ccccc1
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2cc(OCCN3CCCC3)ccc12)-c1ccccc1
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2c(OCCCCCN3CCCCC3)cccc12)-c1ccccc1
CC(CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1 |w:1.0|
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)n(Cc2ccc(OCCCCN3CCCCC3)cc2)c2ccccc12
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2ccc(OCCN3CCCCC3)cc12)-c1ccccc1
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c([nH]c2c(OCCCCN3CCCCC3)cccc12)-c1ccccc1
Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccc(F)cc1 |r,t:7,13|
NS(=O)(=O)Oc1ccc(cc1)-c1sc2cc(OS(N)(=O)=O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
NS(=O)(=O)Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(O)cc1
OC(=O)Cc1ccc(cc1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(-8.72,6.29,;-7.62,5.2,;-8.01,3.71,;-6.14,5.59,;-5.04,4.5,;-3.56,4.89,;-2.46,3.79,;-2.85,2.31,;-4.34,1.92,;-5.43,3.01,;-1.76,1.21,;-.27,1.6,;.82,.51,;.43,-.98,;1.52,-2.07,;3.01,-1.6,;4.18,-2.62,;4.03,-4.18,;5.43,-4.81,;6.45,-3.64,;5.67,-2.31,;6.29,-.9,;5.36,.35,;3.87,.2,;5.98,1.76,;7.54,1.92,;8.48,.66,;7.86,-.74,;8.72,-1.99,;2.62,-4.96,;1.92,-6.29,;1.13,-4.96,;-1.06,-1.37,;-2.15,-.27,)|
OC(=O)C1(CC1)c1cccc(c1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(-8.73,1.33,;-7.24,1.73,;-6.15,.64,;-6.84,3.22,;-7.24,4.71,;-8.33,3.62,;-5.35,3.62,;-4.96,5.17,;-3.49,5.56,;-2.4,4.47,;-2.79,2.99,;-4.26,2.53,;-1.7,1.91,;-.22,2.29,;.87,1.21,;.48,-.27,;1.57,-1.36,;3.05,-.89,;4.14,-1.98,;3.98,-3.46,;5.38,-4.08,;6.47,-2.99,;5.69,-1.59,;6.32,-.19,;5.38,1.05,;3.83,.89,;6,2.45,;7.56,2.61,;8.42,1.36,;7.79,-.04,;8.73,-1.28,;2.66,-4.24,;1.88,-5.56,;1.1,-4.24,;-1,-.74,;-2.09,.35,)|
CCN(c1ccc(OCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1 |r,c:59,TLB:56:55:52:50.49,THB:46:49:52:55.54,63:54:52:50.49|
CCN(c1ccc(OCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1 |r,c:60,TLB:57:56:53:51.50,THB:47:50:53:56.55,64:55:53:51.50|
CCN(c1ccc(OCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1 |r,c:61,TLB:58:57:54:52.51,THB:65:56:54:52.51,48:51:54:57.56|
CCN(c1ccc(OCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1 |r,c:62,TLB:59:58:55:53.52,THB:66:57:55:53.52,49:52:55:58.57|
CCN(c1ccc(OCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1 |r,c:63,TLB:60:59:56:54.53,THB:67:58:56:54.53,50:53:56:59.58|
CCN(c1ccc(OCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1 |r,c:64,TLB:61:60:54.55:57,THB:51:54:60.59:57,68:59:54.55:57|
CCN(c1ccc(OCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1 |r,c:60,TLB:57:56:53:51.50,THB:47:50:53:56.55,64:55:53:51.50|
CCN(c1ccc(OCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1 |r,c:61,TLB:58:57:54:52.51,THB:48:51:54:57.56,65:56:54:52.51|
CCN(c1ccc(OCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1 |r,c:62,TLB:59:58:55:53.52,THB:66:57:55:53.52,49:52:55:58.57|
CCN(c1ccc(OCCCCCC(=O)Nc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1 |c:50,TLB:37:40:43:46.45,47:46:43:40.41,THB:54:45:43:40.41|
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOc2ccc(cc2)N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(O)cc2)C(C)(C)C)cc1 |r,c:56,TLB:54:53:50:47.48,THB:44:47:50:53.52,61:52:50:47.48|
C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCOc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,c:46,TLB:45:44:41:38.39,THB:35:38:41:44.43,52:43:41:38.39|
COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(OCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1 |r,c:24,TLB:24:23:20:17.18,THB:14:17:20:23.22,31:22:20:17.18|
COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(OCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1 |r,c:24,TLB:24:23:20:17.18,THB:14:17:20:23.22,31:22:20:17.18|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)N(CC(F)(F)F)c1ccc(OCCCCNC(=O)COc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1)c1ccc(O)cc1 |t:8,TLB:14:13:10:7.8,58:8:10:13.12,THB:4:7:10:13.12|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)N(CC(F)(F)F)c1ccc(OCCCCCCNC(=O)COc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1)c1ccc(O)cc1 |t:8,TLB:14:13:10:7.8,60:8:10:13.12,THB:4:7:10:13.12|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)N(CC(F)(F)F)c1ccc(OCCCCCCCCNC(=O)COc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1)c1ccc(O)cc1 |t:8,TLB:14:13:10:7.8,62:8:10:13.12,THB:4:7:10:13.12|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)N(CC(F)(F)F)c1ccc(OCC(=O)NCCNC(=O)COc2ccc(cc2)C2CCC(=O)NC2=O)cc1)c1ccc(O)cc1 |t:8,TLB:55:8:10:13.12,14:13:10:7.8,THB:4:7:10:13.12|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)N(CC(F)(F)F)c1ccc(OCC(=O)NCCCCNC(=O)COc2ccc(cc2)C2CCC(=O)NC2=O)cc1)c1ccc(O)cc1 |t:8,TLB:57:8:10:13.12,14:13:10:7.8,THB:4:7:10:13.12|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)N(CC(F)(F)F)c1ccc(OCC(=O)NCCCCCCNC(=O)COc2ccc(cc2)C2CCC(=O)NC2=O)cc1)c1ccc(O)cc1 |t:8,TLB:59:8:10:13.12,14:13:10:7.8,THB:4:7:10:13.12|
CCN(c1ccc(OCCCCCC(=O)N[C@H](C(=O)N2C[C@@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1 |r,c:61,TLB:58:57:54:51.52,THB:48:51:54:57.56,65:56:54:51.52|
C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCOc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,c:46,TLB:45:44:41:38.39,THB:35:38:41:44.43,52:43:41:38.39|
CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1 |c:21,TLB:11:14:20.19:17,21:20:14.15:17,THB:28:19:14.15:17|
Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(cc1)N1CCC(CN2CCN(CC2)c2ccc3C(=O)N(Cc3c2)[C@H]2CCC(=O)NC2=O)CC1 |r|
CC1=C([C@@H](Oc2cc(O)ccc12)c1ccc(\C=C\CN2CC(CF)C2)cc1)c1cc(F)cc(F)c1 |r,t:1|
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#Cc1c(oc2ccccc2c1=O)-c1ccccc1
Cc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C#C[C@]3(O)CC[C@H]4[C@@H]5CCc6cc(O)ccc6[C@H]5CC[C@]34C)c(oc2c1)-c1ccc(OCc2ccccc2)cc1
Cc1ccc(cc1)S(=O)(=O)Oc1ccc2c(C#CCCCCC#C[C@]3(O)CC[C@H]4[C@@H]5CCc6cc(O)ccc6[C@H]5CC[C@]34C)c(oc2c1)-c1ccc(OCc2ccccc2)cc1
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#Cc1c([nH]c2ccccc12)-c1ccccc1O
COc1ccccc1-c1[nH]c2ccccc2c1C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#Cc1cccc2c1oc(cc2=O)-c1ccccc1
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#CCCCCC#Cc1c(oc2ccccc2c1=O)-c1ccccc1
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#CCCCCC#Cc1cccc2c1oc(cc2=O)-c1ccccc1
CC[P+](Bc1ccc(O)cc1)(CC)CC
C[P+](C)(Bc1cccc(O)c1)c1ccccc1
CC[P+](Bc1cccc(O)c1)(CC)CC
CC[P+](Bc1cccc(O)c1)(CC)c1ccccc1
CC(C)(C)Cc1ccc(O)cc1
C[Si](C)(C)Cc1ccc(O)cc1
CC(C)[P+](Bc1ccc(O)cc1)(C(C)C)C(C)C
CC(C)[P+](Bc1ccc(O)cc1)(C(C)C)c1ccccc1
Oc1ccc(B[P+](C2CC2)(C2CC2)C2CC2)cc1
CC(C)[P+](Bc1cccc(O)c1)(C(C)C)c1ccccc1
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccccc1F)c1ccc(NC(=O)CCCCC[Se]C#N)cc1 |t:8,TLB:25:8:12.13:10,THB:4:7:12.13:10,14:13:8.7:10|
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)N(CC(F)(F)F)c1ccccc1F)c1ccc(NC(=O)CCCCC[Se]C#N)cc1 |t:8,TLB:30:8:12.13:10,THB:14:13:8.7:10,4:7:12.13:10|
Oc1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
CC(C)S(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
CCS(=O)(=O)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)C1=CCS(=O)(=O)CC1 |t:31|
Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)C1CCS(=O)(=O)CC1
CS(=O)(=O)C1CCC(=CC1)c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 |w:4.3,c:7|
Oc1cccc(c1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(F)c1
Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)c(F)c1
Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(c1)C#N
CN(C)C(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
CCS(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
CC(C)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
CN(C)S(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(N)=O)cc1)c1ccccc1
CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(C)=O)cc1)c1ccccc1
COC(=O)C(CC1(C)CC2CCC1CC2C(C)(C)CCNC(=O)CCC(C)C)C(=O)OC |w:9.9,6.6,14.16,12.13,TLB:5:6:13.14:11.10,TEB:15:14:6.8:11.10,7:6:13.14:11.10|
COC(=O)C(N)CC1(C)CC2CCC1CC2C(C)(C)CCNC(=O)CCC(C)C |w:4.4,15.17,10.10,7.7,13.14,TLB:6:7:14.15:12.11,TEB:16:15:7.9:12.11,8:7:14.15:12.11|
COC(=O)C(CC1(C)CC2CCC1CC2C(C)(C)CCNC(=O)CCC(C)C)C(O)=O |w:9.9,14.16,6.6,4.4,12.13,TLB:5:6:13.14:11.10,TEB:15:14:6.8:11.10,7:6:13.14:11.10|
COC(=O)C(CC1(C)CC2CCC1CC2C(C)(C)CCNC(=O)CCC(C)C)NC(=O)OCc1ccccc1 |TLB:5:6:13.14:11.10,THB:15:14:6.8:11.10,7:6:13.14:11.10|
[#6]-[#8]-[#6](=O)-[#6](=[#6]\C1([#6])[#6]-[#6]-2-[#6]=[#6]-[#6]1-[#6]-[#6]-2C([#6])([#6])[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](-[#6])-[#6])\[#6](=O)-[#8]-[#6] |w:9.9,6.6,14.16,12.13,c:10,TLB:5:6:13.14:11.10,TEB:15:14:6.8:11.10,7:6:13.14:11.10|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N3CCCC3C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O |w:139,142|
CCN1CC(Cc2ccc(O)cc12)c1ccc(O)cc1 |w:4.14|
CN1CC(Cc2ccc(O)cc12)c1ccc(O)cc1 |w:3.13|
CCCN1CC(Cc2ccc(O)cc12)c1ccc(O)cc1 |w:5.15|
Oc1ccc(cc1)-c1cnc2cc(O)ccc2c1
Oc1ccc(cc1)C1CN(CC2CC2)c2cc(O)ccc2C1 |w:7.7|
Oc1ccc(cc1)C1CNc2cc(O)ccc2C1 |w:7.7|
CS(=O)(=O)N1CC(Cc2ccc(O)cc12)c1ccc(O)cc1 |w:6.16|
Clc1ccc(Cn2nnc(n2)-c2cn(Cc3ccccc3)c3ccccc23)cc1Cl
Clc1ccc(Cn2nnc(n2)-c2cn(Cc3ccccc3)c3ccccc23)cc1
CCC(Cc1ccc(OC)cc1)=C(c1ccc(O)cc1)c1ccc(OCCCN(C)C)cc1
O=C(C1=C(O)C(=O)N(c2ccccc2O)C1c1ccc([N+](=O)[O-])cc1)c1ccccc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5cncn5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@@H](C)NC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@H](NC(=O)COCCOCCOCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOc2ccc(N(CC(F)(F)F)S(=O)(=O)C3CC4OC3C(c3ccc(-n5ccnc5)cc3)=C4c3ccc(O)cc3)cc2)C(C)(C)C)cc1
O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCOc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(-n4ccnc4)cc2)=C3c2ccc(O)cc2)cc1
O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCOc1ccc(N(CC(F)(F)F)S(=O)(=O)C2CC3OC2C(c2ccc(-n4ccnc4)cc2)=C3c2ccc(O)cc2)cc1
COc1ccccc1[C@H](c1cccc2ccccc12)[C@@](C)(C#N)C(=O)N1CCC(CC1)c1cccc(c1)C(F)(F)F
COC(=O)C1C(c2ccc(OCc3ccccc3F)cc2)c2ccc(O)cc2OC1=N
COC(=O)C1C(c2ccc(OCc3ccc(C)cc3)cc2)c2ccc(O)cc2OC1=N
COc1cc(ccc1O)C1Nc2ccccc2C(=O)N1Cc1ccccc1 |w:9.9|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CC[S+]([O-])CCCC(F)(F)C(F)(F)F)C3)cc2F)N1CC(F)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCS(=O)(=O)CCCC(F)(F)C(F)(F)F)C3)cc2F)N1CC(F)(F)CO
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CC[S+]([O-])CCCC(F)(F)C(F)(F)F)C3)cc2F)N1CC(F)(F)F
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CC[S+]([O-])CCCC(F)(F)C(F)(F)F)C3)cc2F)N1CC(F)(F)F
C[C@](O)(CN1CC2CC(C1)N2c1ccc(C#N)cc1)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1
CCC(=C(c1ccc(O)cc1)c1ccc(OCCNCCCCCCN)cc1)c1ccccc1
CCC(=C(c1ccc(O)cc1)c1ccc(OCCNCCCCCCNC(=O)CCC2=[N+]3C(C=C2)Cc2c(C)cc(C)n2[B-]3(F)F)cc1)c1ccccc1
CCC(=C(c1ccc(O)cc1)c1ccc(OCCNCCCCCCNC(=O)CCCCCNC(=O)CSc2c(Cl)c(Cl)c(C(=O)O)c(C3=c4cc5c(c(S(=O)(=O)O)c4Oc4c3cc3c(c4S(=O)(=O)O)NC(C)(C)CC3C)=NC(C)(C)CC5C)c2Cl)cc1)c1ccccc1
CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)/C(=C/c2ccc(OC)c(O)c2)c2cc(OC)c(OC)c(OC)c2)cc1)c1ccc(O)cc1
CC/C(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)CCC(=O)Oc2cc(/C=Cc3cc(OC)c(OC)c(OC)c3)ccc2OC)cc1)c1ccccc1
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N |w:5.4,c:9|
CCOC(=O)/C=C/C(=O)NCCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1
CCOC(=O)/C=C/C(=O)OCc1cn(CCC2CCN(CCOc3ccc(C(=O)c4c(-c5ccc(O)cc5)sc5cc(O)ccc45)cc3)CC2)nn1
C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |r,t:6|
C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1F
C[C@@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2[C@@H]3O[C@@H]3[C@@]3(C)C(CC[C@@]33CCC(=O)O3)C12 |t:6|
O=C(CCCCc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1)NO
O=C(CCCCCc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1)NO
O=C(CCCCCCc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1)NO
O=C(CCCCOc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1)NO
O=C(CCCCCOc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1)NO
C[C@@H]1Cc2c(n(C)c3ccccc23)[C@@H](c2cnc(N3CCC(CCN4CCN(c5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)nc2)N1CC(C)(C)F
Oc1ccc(cc1)C(=O)N\N=C\c1ccc2ccccc2c1
O=C(Nc1ccccc1F)c1ccc(-c2ccc(O)cc2)s1
O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(O)cc2)s1
O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc(O)cc2)s1
O=C(Nc1ccccc1Cl)c1ccc(-c2ccc(O)cc2)s1
O=C(NC1CCCCC1)c1ccc(-c2ccc(O)cc2)s1
CS(=O)(=O)c1ccc(-c2ccc(C(=O)Nc3cccc(F)c3)s2)cc1
O=C(O)c1cccc(-c2ccc(C(=O)Nc3cccc(F)c3)s2)c1
O=C(Nc1cccc(O)c1)c1ccc(-c2ccsc2)s1
O=C(Nc1cccc(B(O)O)c1)c1ccc(-c2ccc(F)cc2)s1
Cc1ccc(NC(=O)c2ccc(-c3cccc(O)c3)s2)cc1
O=C(Nc1cccc(Cl)c1)c1ccc(-c2cccc(O)c2)s1
Nc1cccc(-c2ccc(C(=O)Nc3cccc(F)c3)s2)c1
Nc1cccc(-c2ccc(C(=O)Nc3cccc(Cl)c3)s2)c1
O=C(Nc1cccc(F)c1)c1ccc(-c2cccc(B(O)O)c2)s1
O=C(Nc1cccc(F)c1)c1ccc(-c2ccc(B(O)O)cc2)s1
O=C(Nc1ccccc1F)c1ccc(-c2cccc(B(O)O)c2)s1
CC(C)CN(c1ccc(-c2ccc(OCC(=O)O)c(F)c2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
COc1cc2oc(cc2cc1O)-c1ccc(O)cc1O
COc1cc(O)c2c(C=O)c(oc2c1)-c1ccc(O)cc1O
Cc1c(O)c(C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]-[#6](-[#8])-[#6](-[#6])=[#6])c(-[#8])c2c1occ(-c1ccc(-[#8])c(-[#8])c1)c2=O
[#6]\[#6](-[#6])=[#6]/[#6]-c1c2-[#8]-[#6](-[#6]-c2c2occ(-c3ccc(-[#8])c(-[#8])c3)c(=O)c2c1-[#8])C([#6])([#6])[#8]
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]-[#6](-[#8])-[#6](-[#6])=[#6])c2occ(-c3ccc(-[#8])c(-[#8])c3)c(=O)c2c1-[#8]
COc1cc(cc2OCOc12)[C@@H]1O[C@@H]([C@@H](COC(C)=O)[C@@H]1CO)c1cc2OCOc2c(OC)c1 |r|
CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1
CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccc(F)cc1
CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccc(OC)cc1
CCCCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccc(O)cc1
OC(=O)\C=C\c1ccc(Oc2c(-c3ccccc3)c(cc3cc(O)ccc23)C2CC2)cc1
CCCCc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1
CC(C)Cc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1
CCCCCc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1
CCCCCCCCc1cc2cc(O)ccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1
COCc1cc2ccccc2c(Oc2ccc(\C=C\C(O)=O)cc2)c1-c1ccccc1
CC(C)CCc1cc(SCC(C)C)nc(SCC(C)C)n1
CC(C)CCc1cc(OCc2ccccc2)nc(OCc2ccccc2)n1
CC(C)CCc1cc(OCC(C)C)nc(OCC(C)C)n1
CC(C)CCc1cc(NCc2cccc3ccccc23)nc(NCc2cccc3ccccc23)n1
C(Cc1cc(NCc2cccc3ccccc23)nc(NCc2ccccc2)n1)c1ccccc1
CC(C)CNc1nc(CCc2ccccc2)cc(NCc2cccc3ccccc23)n1
C(Cc1cc(NCc2ccccc2)nc(NCc2cccc3ccccc23)n1)c1ccccc1
CC(C)CNc1cc(CCc2ccccc2)nc(NCc2cccc3ccccc23)n1
C(Nc1cc(\C=C\c2ccccc2)nc(NCc2cccc3ccccc23)n1)c1cccc2ccccc12
C(Nc1cc(\C=C\c2ccccc2)nc(NCc2cccc3ccccc23)n1)c1ccccc1
CC(C)CNc1cc(\C=C\c2ccccc2)nc(NCc2cccc3ccccc23)n1
CC(C)CNc1cc(\C=C\c2ccccc2)nc(NCc2ccccc2)n1
CC(C)(C)OC(=O)N(Cc1cccc2ccccc12)c1cc(CCc2ccccc2)nc(NCc2cccc3ccccc23)n1
CC(C)CNc1nc(CCc2ccccc2)cc(n1)N(Cc1ccccc1)C(=O)OC(C)(C)C
CC(C)CN(C(=O)OC(C)(C)C)c1cc(CCc2ccccc2)nc(NCc2ccccc2)n1
CC(C)(C)OC(=O)N(Cc1cccc2ccccc12)c1cc(\C=C\c2ccccc2)nc(NCc2cccc3ccccc23)n1
CC(C)CNc1nc(\C=C\c2ccccc2)cc(n1)N(Cc1ccccc1)C(=O)OC(C)(C)C
O=S(=O)(Cc1ccccc1)c1cc(CCc2ccccc2)nc(n1)S(=O)(=O)Cc1ccccc1
CC(C)CS(=O)(=O)c1cc(CCc2ccccc2)nc(n1)S(=O)(=O)CC(C)C
C(Cc1cc(SCc2ccccc2)nc(SCc2ccccc2)n1)c1ccccc1
CC(C)CSc1cc(CCc2ccccc2)nc(SCC(C)C)n1
C(Cc1cc(OCc2ccccc2)nc(OCc2ccccc2)n1)c1ccccc1
CC(C)COc1cc(CCc2ccccc2)nc(OCC(C)C)n1
C(Cc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1)c1ccccc1
C(Oc1cc(\C=C\c2ccccc2)nc(OCc2ccccc2)n1)c1ccccc1
CC(C)COc1cc(\C=C\c2ccccc2)nc(OCC(C)C)n1
CC(C)CCc1nc(NCC(C)C)cc(NCc2ccccc2)n1
CC(C)CNc1cc(NCC(C)C)nc(CCc2cccc3ccccc23)n1
CC(C)CCc1nc(NCC(C)C)cc(NCC(C)C)n1
C(Cc1cccc2ccccc12)c1cc(NCc2cccc3ccccc23)nc(NCc2ccccc2)n1
CC(C)CNc1nc(CCc2cccc3ccccc23)cc(NCc2cccc3ccccc23)n1
C(Cc1cccc2ccccc12)c1cc(NCc2ccccc2)nc(NCc2cccc3ccccc23)n1
CC(C)CNc1nc(CCc2cccc3ccccc23)cc(NCc2ccccc2)n1
CC(C)CNc1cc(CCc2cccc3ccccc23)nc(NCc2cccc3ccccc23)n1
CC(C)CNc1cc(CCc2cccc3ccccc23)nc(NCc2ccccc2)n1
CC(C)CCc1cc(NCc2cccc3ccccc23)nc(NCc2ccccc2)n1
CC(C)CCc1cc(NCc2ccccc2)nc(NCc2cccc3ccccc23)n1
CC(C)(C)OC(=O)N(Cc1cccc2ccccc12)c1cc(CCc2cccc3ccccc23)nc(NCc2ccccc2)n1
CC(C)CNc1nc(CCc2cccc3ccccc23)cc(n1)N(Cc1cccc2ccccc12)C(=O)OC(C)(C)C
CC(C)(C)OC(=O)N(Cc1ccccc1)c1cc(CCc2cccc3ccccc23)nc(NCc2cccc3ccccc23)n1
C(Cc1cc(NCc2cccc3ccccc23)nc(NCc2cccc3ccccc23)n1)c1ccccc1
CC(C)CNc1nc(\C=C\c2ccccc2)cc(n1)N(C)CC(C)C
CC(C)CNc1cc(CCc2cccc3ccccc23)nc(n1)N(C)CC(C)C
C(Sc1cc(SCc2ccccc2)nc(SCc2ccccc2)n1)c1ccccc1
CC(C)CSc1cc(SCC(C)C)nc(SCC(C)C)n1
C(Oc1cc(OCc2ccccc2)nc(OCc2ccccc2)n1)c1ccccc1
CC(C)COc1cc(OCC(C)C)nc(OCC(C)C)n1
C(Cc1cc(CCc2ccccc2)nc(NCc2cccc3ccccc23)n1)c1ccccc1
CC(C)CNc1nc(CCc2ccccc2)cc(CCc2ccccc2)n1
C(Nc1nc(\C=C\c2ccccc2)cc(\C=C\c2ccccc2)n1)c1ccccc1
CC(C)CNc1nc(\C=C\c2ccccc2)cc(\C=C\c2ccccc2)n1
CC(C)CCc1cc(CCC(C)C)nc(NCc2ccccc2)n1
CC(C)CCc1nc(NCC(C)C)cc(NCc2cccc3ccccc23)n1
CC(C)CNc1nc(CCc2cccc3ccccc23)cc(n1)N(CC(C)C)C(=O)OC(C)(C)C
C(Cc1cccc2ccccc12)c1cc(NCc2cccc3ccccc23)nc(NCc2cccc3ccccc23)n1
CC(C)CNc1cc(CCc2ccccc2)nc(NCC(C)C)n1
C(Nc1cc(\C=C\c2ccccc2)nc(NCc2ccccc2)n1)c1ccccc1
CC(C)CNc1nc(CCc2ccccc2)cc(n1)N(C)CC(C)C
CC(C)CNc1nc(CCc2cccc3ccccc23)cc(n1)N(C)CC(C)C
CC(C)CCc1cc(NCC(C)C)nc(n1)N(C)CC(C)C
CC(C)CNc1cc(NCC(C)C)nc(Cl)n1
CC(C)CNc1cc(NCC(C)C)nc(NCC(C)C)n1
CC(C)CCc1cc(NCc2cccc3ccccc23)nc(NCC(C)C)n1
CC(C)CCc1cc(NCc2ccccc2)nc(NCC(C)C)n1
CC(C)CCc1cc(NCC(C)C)nc(NCc2cccc3ccccc23)n1
CC(C)CCc1cc(NCC(C)C)nc(NCc2ccccc2)n1
CCc1cc(NCC(C)C)nc(NCC(C)C)n1
CC(C)CNc1cc(CCc2cccc3ccccc23)nc(NCC(C)C)n1
CC(C)CCc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1
CCCCc1cc(NCCC)nc(NCCC)n1
CC(C)CNc1nc(CCc2ccccc2)cc(NCc2ccccc2)n1
CC(C)CNc1cc(CCc2ccccc2)nc(NCc2ccccc2)n1
CC(C)CNc1nc(NCc2ccccc2)cc(\C=C\c2ccccc2)n1
CC(C)CCc1cc(NCC(C)C)nc(n1)S(=O)(=O)CC(C)C
CC(C)CCc1cc(NCC(C)C)nc(SCC(C)C)n1
CC(C)CCc1cc(NCC(C)C)nc(OCC(C)C)n1
CC(C)CCc1cc(nc(NCC(C)C)n1)N(C)CC(C)C
CC(C)CNc1cc(CCc2ccccc2)nc(n1)N(C)CC(C)C
CC(C)CNc1cc(\C=C\c2ccccc2)nc(n1)N(C)CC(C)C
CC(C)CN(C)c1cc(CCc2ccccc2)nc(n1)N(C)CC(C)C
CC(C)CN(C)c1cc(CCc2cccc3ccccc23)nc(n1)N(C)CC(C)C
CC(C)CN(C)c1cc(\C=C\c2ccccc2)nc(n1)N(C)CC(C)C
CC(C)CCc1cc(nc(n1)N(C)CC(C)C)N(C)CC(C)C
CC(C)CNc1cc(nc(NCC(C)C)n1)S(=O)(=O)CC(C)C
CC(C)CNc1cc(NCC(C)C)ncn1
CC(C)CNc1cc(SCC(C)C)nc(NCC(C)C)n1
CC(C)CNc1cc(OCC(C)C)nc(NCC(C)C)n1
CC(C)CNc1cc(NCc2ccccc2)nc(NCC(C)C)n1
C(Nc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1)c1ccccc1
C(Cc1cc(CCc2ccccc2)nc(NCc2ccccc2)n1)c1ccccc1
C(Nc1nc(\C=C\c2ccccc2)cc(\C=C\c2ccccc2)n1)c1cccc2ccccc12
CC(C)CCc1cc(CCC(C)C)nc(NCc2cccc3ccccc23)n1
CC(C)CCc1cc(CCC(C)C)nc(NCC(C)C)n1
CC(C)CNc1nc(CCc2cccc3ccccc23)cc(n1)N(Cc1ccccc1)C(=O)OC(C)(C)C
CC(C)CN(C(=O)OC(C)(C)C)c1cc(CCc2cccc3ccccc23)nc(NCc2cccc3ccccc23)n1
CC(C)CN(C(=O)OC(C)(C)C)c1cc(CCc2cccc3ccccc23)nc(NCc2ccccc2)n1
CC(C)CCc1cc(nc(NCc2ccccc2)n1)N(Cc1cccc2ccccc12)C(=O)OC(C)(C)C
CC(C)CCc1cc(nc(NCC(C)C)n1)N(Cc1cccc2ccccc12)C(=O)OC(C)(C)C
CC(C)CCc1cc(nc(NCc2cccc3ccccc23)n1)N(Cc1ccccc1)C(=O)OC(C)(C)C
CC(C)CCc1cc(nc(NCC(C)C)n1)N(Cc1ccccc1)C(=O)OC(C)(C)C
CC(C)CCc1cc(nc(NCc2cccc3ccccc23)n1)N(CC(C)C)C(=O)OC(C)(C)C
CC(C)CCc1cc(nc(NCc2ccccc2)n1)N(CC(C)C)C(=O)OC(C)(C)C
CC(C)CCc1cc(nc(n1)S(=O)(=O)Cc1ccccc1)S(=O)(=O)Cc1ccccc1
CC(C)CCc1cc(nc(n1)S(=O)(=O)CC(C)C)S(=O)(=O)CC(C)C
C(Cc1cccc2ccccc12)c1cc(NCc2ccccc2)nc(NCc2ccccc2)n1
CC(C)CCc1cc(SCc2ccccc2)nc(SCc2ccccc2)n1
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Cl)-c2ccccc2-[#6]-[#6]-1 |w:5.5,c:6|
CC(C)CNc1cc(\C=C\c2ccccc2)nc(NCC(C)C)n1
C(CN1CCC1)Oc1ccc(cc1)C1=C(CCOc2ccccc12)c1ccccc1 |t:15|
Oc1ccc(cc1)C1=C(c2ccc(OCCN3CCC3)cc2)c2ccccc2OCC1 |c:8|
COc1ccc2c(OCCC(c3ccc(O)cc3)=C2c2ccc(OCCN3CCC3)cc2)c1 |c:18|
COc1ccc2c(OCCC(c3ccc(O)cc3)=C2c2ccc(OCCN3CCCC3)cc2)c1 |c:18|
Oc1ccc(cc1)C1=C(c2ccc(OCCN3CCCC3)cc2)c2ccc(O)cc2OCC1 |c:8|
Fc1ccc2c(OCCC(c3ccccc3)=C2c2ccc(OCCN3CCCC3)cc2)c1 |c:16|
Oc1ccc(cc1)C1=C(c2ccc(OCCN3CCCC3)cc2)c2ccc(F)cc2OCC1 |c:8|
Oc1cccc(c1)C1=C(c2ccc(OCCN3CCCC3)cc2)c2ccc(F)cc2OCC1 |c:8|
Fc1ccc(cc1)C1=C(c2ccc(OCCN3CCCC3)cc2)c2ccc(F)cc2OCC1 |c:8|
CS(=O)(=O)c1ccc(cc1)C1=C(c2ccc(OCCN3CCCC3)cc2)c2ccc(F)cc2OCC1 |c:11|
Oc1ccc(cc1)C1=C(c2ccc(OCCN3CCCCC3)cc2)c2ccc(F)cc2OCC1 |c:8|
Oc1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(OCCN2CCCC2)cc1 |t:8|
CN(C)CCOc1ccc(cc1)C1=C(CCOc2ccccc12)c1cccs1 |t:13|
Cc1ccc(CC2=C(c3ccc(OCCN4CCCC4)cc3)c3ccccc3OCC2)cc1 |c:6|
Oc1ccc(C2N=CN(CC#C)C2c2ccc(O)cc2Cl)c(Cl)c1 |c:6|
Oc1ccc([C@H]2NC=N[C@H]2c2ccc(O)cc2Cl)c(Cl)c1 |r,c:7|
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Cl)-c2ccccc2-[#6]-[#6]-[#6]-1 |w:5.5,c:6|
[#6]-[#6](-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])=[#6](Cl)-c1ccccc1 |w:2.1,1.0|
Cc1c(nn(c1-c1ccc(CCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1
Cc1c(nn(c1-c1ccc(\C=C\C(=O)N2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1
Oc1ccc(cc1F)-c1ccc(CN=O)c(O)c1Cl
Oc1ccc(cc1)-c1ccc(O)c(CN=O)c1
Oc1ccc(cc1)-c1ccc(CN=O)c(O)c1Cl
CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)c1ccccc1 |r|
CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1 |r|
CC[C@@]12[C@H](O)C[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC |r|
CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC |r|
CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC |r|
CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC |r|
CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3ccncc3)ccc21)C#CC |r|
CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC |r|
CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1 |r|
CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccccc1)c1ccc(cc1F)-c1ccc(O)cc1 |r|
Oc1ccc(cc1)-c1ccc(CN=O)c(F)c1
CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cncnc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|
CC(Cc1ccc(O)cc1)c1ccc(O)cn1
CCC(Cc1ccc(O)cc1)c1ccc(O)cn1
CC(Cc1ccc(O)cn1)c1ccc(O)cc1
CC[C@@H]([C@@H](C)c1ccc(O)cc1)c1ccc(O)cn1 |r|
CC[C@@H]([C@H](CC)c1ccc(O)cn1)c1ccc(O)cc1 |r|
CC[C@H]([C@H](CC)c1ccc(O)cn1)c1ccc(O)cc1 |r|
CC(Cc1ccc(O)cc1)c1ccc(O)cc1
CC\C(=C/c1ccc(O)cc1)c1ccc(O)cc1
Oc1ccc(CCc2ccc(O)cc2)cc1
CCCC(C)(Cc1ccc(O)cc1)c1ccc(O)cc1
CC(C)(Cc1ccc(O)cc1)c1ccc(O)cc1
C\C(=C/c1ccc(O)cc1)c1ccc(O)cc1
CCC(C)(Cc1ccc(O)cc1)c1ccc(O)cc1
CCCC(Cc1ccc(O)cc1)c1ccc(O)cc1
Oc1ccc2c(c(Cc3ccccc3)c(=O)oc2c1)C(F)(F)F
Cc1cccc(SCc2cc(=O)oc3cc(O)ccc23)n1
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#Cc1ccc(CO)cc1 |r|
Cn1cc(nn1)[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C |r|
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)c1cn(C[C@H]2O[C@@H]3O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]2[C@H](O)[C@H]3O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn1 |r|
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)c1cn(CC[C@H]2O[C@@H]3O[C@@H]4[C@@H](Cn5cc(nn5)[C@]5(O)CC[C@H]6[C@@H]7CCc8cc(O)ccc8[C@H]7CC[C@]56C)O[C@H](O[C@@H]5[C@@H](Cn6cc(nn6)[C@]6(O)CC[C@H]7[C@@H]8CCc9cc(O)ccc9[C@H]8CC[C@]67C)O[C@H](O[C@@H]6[C@@H](Cn7cc(nn7)[C@]7(O)CC[C@H]8[C@@H]9CCc%10cc(O)ccc%10[C@H]9CC[C@]78C)O[C@H](O[C@@H]7[C@@H](Cn8cc(nn8)[C@]8(O)CC[C@H]9[C@@H]%10CCc%11cc(O)ccc%11[C@H]%10CC[C@]89C)O[C@H](O[C@@H]8[C@@H](Cn9cc(nn9)[C@]9(O)CC[C@H]%10[C@@H]%11CCc%12cc(O)ccc%12[C@H]%11CC[C@]9%10C)O[C@H](O[C@@H]9[C@@H](Cn%10cc(nn%10)[C@]%10(O)CC[C@H]%11[C@@H]%12CCc%13cc(O)ccc%13[C@H]%12CC[C@]%10%11C)O[C@H](O[C@H]2[C@H](O)[C@H]3O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn1 |r|
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#Cc1ccc(CNC[C@H]2O[C@@H]3O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]2[C@H](O)[C@H]3O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)cc1 |r|
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#Cc5ccc(cc5)N)O)O
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#Cc1ccc(CNC[C@H]2O[C@@H]3O[C@@H]4[C@@H](CNCc5ccc(cc5)C#C[C@]5(O)CC[C@H]6[C@@H]7CCc8cc(O)ccc8[C@H]7CC[C@]56C)O[C@H](O[C@@H]5[C@@H](CNCc6ccc(cc6)C#C[C@]6(O)CC[C@H]7[C@@H]8CCc9cc(O)ccc9[C@H]8CC[C@]67C)O[C@H](O[C@@H]6[C@@H](CNCc7ccc(cc7)C#C[C@]7(O)CC[C@H]8[C@@H]9CCc%10cc(O)ccc%10[C@H]9CC[C@]78C)O[C@H](O[C@@H]7[C@@H](CNCc8ccc(cc8)C#C[C@]8(O)CC[C@H]9[C@@H]%10CCc%11cc(O)ccc%11[C@H]%10CC[C@]89C)O[C@H](O[C@@H]8[C@@H](CNCc9ccc(cc9)C#C[C@]9(O)CC[C@H]%10[C@@H]%11CCc%12cc(O)ccc%12[C@H]%11CC[C@]9%10C)O[C@H](O[C@@H]9[C@@H](CNCc%10ccc(cc%10)C#C[C@]%10(O)CC[C@H]%11[C@@H]%12CCc%13cc(O)ccc%13[C@H]%12CC[C@]%10%11C)O[C@H](O[C@H]2[C@H](O)[C@H]3O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)cc1 |r|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C |r|
[#6]-[#7](-[#6])-[#6](\[#6])=[#6]\[#6]-1=[#6](-[#6]-c2cc(-[#7](-[#6])-[#6])c(-[#6])cc2-[#6]1-c1cccc(-[#6](=O)-[#8]-c2ccc3-[#6@H]-4-[#6]-[#6][C@@]5([#6])[#6@@H](-[#6]-[#6][C@@]5([#8])c5cn(-[#6]-[#6@H]-6-[#8]-[#6@@H]-7-[#8]-[#6@@H]-8-[#6@@H](-[#6]-n9cc(nn9)[C@]9([#8])[#6]-[#6]-[#6@H]%10-[#6@@H]-%11-[#6]-[#6]-c%12cc(-[#8]-[#6](=O)-c%13cccc(-[#6]-%14-c%15cc(-[#6])c(cc%15-[#6]-c%15cc(-[#7](-[#6])-[#6])c(-[#6])cc-%14%15)-[#7](-[#6])-[#6])c%13-[#6](-[#8])=O)ccc%12-[#6@H]-%11-[#6]-[#6][C@]9%10[#6])-[#8]-[#6@H](-[#8]-[#6@@H]-9-[#6@@H](-[#6]-n%10cc(nn%10)[C@]%10([#8])[#6]-[#6]-[#6@H]%11-[#6@@H]-%12-[#6]-[#6]-c%13cc(-[#8]-[#6](=O)-c%14cccc(-[#6]-%15-c%16cc(-[#6])c(cc%16-[#6]-c%16cc(-[#7](-[#6])-[#6])c(-[#6])cc-%15%16)-[#7](-[#6])-[#6])c%14-[#6](-[#8])=O)ccc%13-[#6@H]-%12-[#6]-[#6][C@]%10%11[#6])-[#8]-[#6@H](-[#8]-[#6@@H]-%10-[#6@@H](-[#6]-n%11cc(nn%11)[C@]%11([#8])[#6]-[#6]-[#6@H]%12-[#6@@H]-%13-[#6]-[#6]-c%14cc(-[#8]-[#6](=O)-c%15cccc(-[#6]-%16-c%17cc(-[#6])c(cc%17-[#6]-c%17cc(-[#7](-[#6])-[#6])c(-[#6])cc-%16%17)-[#7](-[#6])-[#6])c%15-[#6](-[#8])=O)ccc%14-[#6@H]-%13-[#6]-[#6][C@]%11%12[#6])-[#8]-[#6@H](-[#8]-[#6@@H]-%11-[#6@@H](-[#6]-n%12cc(nn%12)[C@]%12([#8])[#6]-[#6]-[#6@H]%13-[#6@@H]-%14-[#6]-[#6]-c%15cc(-[#8]-[#6](=O)-c%16cccc(-[#6]-%17-c%18cc(-[#6])c(cc%18-[#6]-c%18cc(-[#7](-[#6])-[#6])c(-[#6])cc-%17%18)-[#7](-[#6])-[#6])c%16-[#6](-[#8])=O)ccc%15-[#6@H]-%14-[#6]-[#6][C@]%12%13[#6])-[#8]-[#6@H](-[#8]-[#6@@H]-%12-[#6@@H](-[#6]-[#6]-n%13cc(nn%13)[C@]%13([#8])[#6]-[#6]-[#6@H]%14-[#6@@H]-%15-[#6]-[#6]-c%16cc(-[#8])ccc%16-[#6@H]-%15-[#6]-[#6][C@]%13%14[#6])-[#8]-[#6@H](-[#8]-[#6@@H]-%13-[#6@@H](-[#6]-n%14cc(nn%14)[C@]%14([#8])[#6]-[#6]-[#6@H]%15-[#6@@H]-%16-[#6]-[#6]-c%17cc(-[#8]-[#6](=O)-c%18cccc(-[#6]-%19-[#6](\[#6]=[#6](\[#6])-[#6])=[#6](-[#6]-c%20cc(-[#7](-[#6])-[#6])c(-[#6])cc-%19%20)-[#6]=[#6])c%18-[#6](-[#8])=O)ccc%17-[#6@H]-%16-[#6]-[#6][C@]%14%15[#6])-[#8]-[#6@H](-[#8]-[#6@H]-6-[#6@H](-[#8])-[#6@H]-7-[#8])-[#6@H](-[#8])-[#6@H]-%13-[#8])-[#6@H](-[#8])-[#6@H]-%12-[#8])-[#6@H](-[#8])-[#6@H]-%11-[#8])-[#6@H](-[#8])-[#6@H]-%10-[#8])-[#6@H](-[#8])-[#6@H]-9-[#8])-[#6@H](-[#8])-[#6@H]-8-[#8])nn5)-[#6@@H]-4-[#6]-[#6]-c3c2)c1-[#6](-[#8])=O)-[#6]=[#6] |r,c:415,t:6|
[#6]-[#6]-[#7]-c1cc2-[#6]-[#6](-[#6]-[#6]=[#7]-[#6]-[#6])=[#6](\[#6]=[#6](/[#6])-[#6])-[#6](-c2cc1-[#6])-c1ccccc1-[#6](=O)-[#8]-c1ccc2-[#6@H]-3-[#6]-[#6][C@@]4([#6])[#6@@H](-[#6]-[#6][C@@]4([#8])c4cn(-[#6]-[#6@H]-5-[#8]-[#6@@H]-6-[#8]-[#6@@H]-7-[#6@@H](-[#6]-n8cc(nn8)[C@]8([#8])[#6]-[#6]-[#6@H]9-[#6@@H]-%10-[#6]-[#6]-c%11cc(-[#8]-[#6](=O)-c%12ccccc%12-[#6]-%12-c%13cc(-[#6])c(-[#7]-[#6]-[#6])cc%13-[#6]-c%13cc(-[#7]-[#6]-[#6])c(-[#6])cc-%12%13)ccc%11-[#6@H]-%10-[#6]-[#6][C@]89[#6])-[#8]-[#6@H](-[#8]-[#6@@H]-8-[#6@@H](-[#6]-n9cc(nn9)[C@]9([#8])[#6]-[#6]-[#6@H]%10-[#6@@H]-%11-[#6]-[#6]-c%12cc(-[#8]-[#6](=O)-c%13ccccc%13-[#6]-%13-c%14cc(-[#6])c(-[#7]-[#6]-[#6])cc%14-[#6]-c%14cc(-[#7]-[#6]-[#6])c(-[#6])cc-%13%14)ccc%12-[#6@H]-%11-[#6]-[#6][C@]9%10[#6])-[#8]-[#6@H](-[#8]-[#6@@H]-9-[#6@@H](-[#6]-n%10cc(nn%10)[C@]%10([#8])[#6]-[#6]-[#6@H]%11-[#6@@H]-%12-[#6]-[#6]-c%13cc(-[#8]-[#6](=O)-c%14ccccc%14-[#6]-%14-c%15cc(-[#6])c(-[#7]-[#6]-[#6])cc%15-[#6]-c%15cc(-[#7]-[#6]-[#6])c(-[#6])cc-%14%15)ccc%13-[#6@H]-%12-[#6]-[#6][C@]%10%11[#6])-[#8]-[#6@H](-[#8]-[#6@@H]-%10-[#6@@H](-[#6]-n%11cc(nn%11)[C@]%11([#8])[#6]-[#6]-[#6@H]%12-[#6@@H]-%13-[#6]-[#6]-c%14cc(-[#8]-[#6](=O)-c%15ccccc%15-[#6]-%15-c%16cc(-[#6])c(-[#7]-[#6]-[#6])cc%16-[#6]-c%16cc(-[#7]-[#6]-[#6])c(-[#6])cc-%15%16)ccc%14-[#6@H]-%13-[#6]-[#6][C@]%11%12[#6])-[#8]-[#6@H](-[#8]-[#6@@H]-%11-[#6@@H](-[#6]-[#6]-n%12cc(nn%12)[C@]%12([#8])[#6]-[#6]-[#6@H]%13-[#6@@H]-%14-[#6]-[#6]-c%15cc(-[#8]-[#6](=O)-c%16ccccc%16-[#6]-%16-c%17cc(-[#6])c(-[#7]-[#6]-[#6])cc%17-[#6]-c%17cc(-[#7]-[#6]-[#6])c(-[#6])cc-%16%17)ccc%15-[#6@H]-%14-[#6]-[#6][C@]%12%13[#6])-[#8]-[#6@H](-[#8]-[#6@@H]-%12-[#6@@H](-[#6]-n%13cc(nn%13)[C@]%13([#8])[#6]-[#6]-[#6@H]%14-[#6@@H]-%15-[#6]-[#6]-c%16cc(-[#8]-[#6](=O)-c%17ccccc%17-[#6]-%17-c%18cc(-[#6])c(-[#7]-[#6]-[#6])cc%18-[#6]-c%18cc(-[#7]-[#6]-[#6])c(-[#6])cc-%17%18)ccc%16-[#6@H]-%15-[#6]-[#6][C@]%13%14[#6])-[#8]-[#6@H](-[#8]-[#6@H]-5-[#6@H](-[#8])-[#6@H]-6-[#8])-[#6@H](-[#8])-[#6@H]-%12-[#8])-[#6@H](-[#8])-[#6@H]-%11-[#8])-[#6@H](-[#8])-[#6@H]-%10-[#8])-[#6@H](-[#8])-[#6@H]-9-[#8])-[#6@H](-[#8])-[#6@H]-8-[#8])-[#6@H](-[#8])-[#6@H]-7-[#8])nn4)-[#6@@H]-3-[#6]-[#6]-c2c1 |r,w:9.8,t:12|
Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5|
Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5|
Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCSCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5|
Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCOCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5|
Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5|
Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5|
Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5|
Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCCN2C(=O)CCC2=O)cc1)c1ccc(O)cc1OCC3 |r,c:5|
CN(C)CCOc1ccc(cc1)[C@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2 |r,c:23|
Oc1ccc2C3=C(CCOc2c1)c1ccc(F)cc1O[C@@H]3c1ccc(OCCN2CCCCCC2)cc1 |r,c:5|
Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5|
Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@H]3c1ccc(OCCN2CCCCC2)cc1 |r,c:5|
COc1ccc2C3=C(CCOc2c1)c1ccc(O)cc1O[C@H]3c1ccc(OCCN2CCCCC2)cc1 |r,c:6|
Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@H]3c1ccc(OCCN2CCCCCC2)cc1 |r,c:5|
Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2C(=O)CCC2=O)cc1)c1ccc(O)cc1OCC3 |r,c:5|
COC(=O)COc1ccc(cc1)C1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2 |c:23|
CCN(CC)CCOc1ccc(cc1)[C@H]1Oc2ccccc2C2=C1c1ccc(O)cc1OCC2 |r,c:24|
CCN(CC)CCOc1ccc(cc1)[C@H]1Oc2cc(F)ccc2C2=C1c1ccc(O)cc1OCC2 |r,c:25|
Oc1ccc2C3=C(CCOc2c1)c1ccc(F)cc1O[C@H]3c1ccc(OCCN2CCCCCC2)cc1 |r,c:5|
CC(C)N(CCOc1ccc(cc1)[C@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2)C(C)C |r,c:24|
CC(C)N(CCOc1ccc(cc1)[C@@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2)C(C)C |r,c:24|
Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@@H]3c1ccc(OCCN2CCCCC2)cc1 |r,c:5|
Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5|
COc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(OC)cc1OCC3 |r,c:6|
Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccccc1OCC3 |r,c:5|
Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1OCC3 |r,c:5|
Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCSCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5|
OC(=O)CCOc1ccc(cc1)[C@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2 |r,c:23|
Oc1ccc2C3=C([C@H](Oc2c1)c1cccc(OCCN2CCCCC2)c1)c1ccc(O)cc1OCC3 |r,c:5|
CN(C)CCOc1ccc(cc1)[C@H]1Oc2cc(O)ccc2C2=C1c1ccccc1OCC2 |r,c:23|
Oc1ccc2C3=C([C@@H](Oc2c1)c1cccc(OCCN2CCCCC2)c1)c1ccc(O)cc1OCC3 |r,c:5|
OCCOc1ccc(cc1)C1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2 |c:21|
CN1CCN(CCOc2ccc(cc2)[C@@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)CC1 |r,c:25|
OCCCOc1ccc(cc1)C1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2 |c:22|
OC(=O)CCOc1ccc(cc1)[C@@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2 |r,c:23|
COc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(OC)cc1OCC3 |r,c:6|
CN1CCN(CCOc2cccc(c2)[C@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)CC1 |r,c:25|
Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccccc1OCC3 |r,c:5|
Oc1ccc2C3=C(C(Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCCC3 |c:5|
CN1CCN(CCOc2cccc(c2)[C@@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)CC1 |r,c:25|
Oc1ccc2C3=C([C@H](Oc2c1)c1cccc(OCCN2CCSCC2)c1)c1ccc(O)cc1OCC3 |r,c:5|
Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1OCC3 |r,c:5|
COc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3 |r,c:6|
COc1ccc2C3=C(CCOc2c1)c1ccc(O)cc1O[C@@H]3c1ccc(OCCN2CCCCC2)cc1 |r,c:6|
CN1CCN(CCOc2ccc(cc2)[C@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)CC1 |r,c:25|
CCN(CC)CCOc1ccc(cc1)[C@@H]1Oc2cc(F)ccc2C2=C1c1ccc(O)cc1OCC2 |r,c:25|
CCN(CC)CCOc1ccc(cc1)[C@@H]1Oc2ccccc2C2=C1c1ccc(O)cc1OCC2 |r,c:24|
CN(C)CCOc1ccc(cc1)[C@H]1Oc2ccccc2C2=C1c1ccc(O)cc1OCC2 |r,c:22|
CN(C)CCOc1ccc(cc1)[C@@H]1Oc2cc(O)ccc2C2=C1c1ccccc1OCC2 |r,c:23|
CN(C)CCOc1ccc(cc1)[C@@H]1Oc2ccccc2C2=C1c1ccc(O)cc1OCC2 |r,c:22|
COc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3 |r,c:6|
Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@@H]3c1ccc(OCCN2CCCCCC2)cc1 |r,c:5|
CN(C)CCOc1ccc(cc1)[C@@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2 |r,c:23|
Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5|
Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCOCC2)cc1)c1ccc(O)cc1OCC3 |r,c:5|
Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2C(=O)CCC2=O)cc1)c1ccc(O)cc1OCC3 |r,c:5|
Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCCN2C(=O)CCC2=O)cc1)c1ccc(O)cc1OCC3 |r,c:5|
Oc1ccc2C3=C([C@@H](Oc2c1)c1cccc(OCCN2CCSCC2)c1)c1ccc(O)cc1OCC3 |r,c:5|
CC(C)CNc1cc(CC(C)C)nc(NCC(C)C)n1
CC(C)Cc1cc(O)c(=O)n(Cc2ccc3ccccc3c2)c1-c1ccnc(Cc2ccccc2)c1
CC(C)CCN1Cc2cc(CC(C)C)c(N)cc2N[C@@H](CC(C)C)C1=O |r|
[#6]-[#6](-[#6])-[#6]-[#6]-[#7]-1-[#6]-c2cc(\[#6]=[#6](/[#6])-[#6])c(-[#7])cc2-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6]-1=O |r|
CCOC(=O)C1(Cc2ccc(cc2C1)[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)C#N |r|
CC1=NC(C)=C([C@@H](C1C#N)c1ccc(F)cc1Cl)C(=O)OC(C)(C)C |r,c:4,t:1|
CCCC1=C([C@@H](C(C#N)C(C)=N1)c1ccnc2ccccc12)C(=O)OCC |r,c:10,t:3|
CCc1cn(CCO)c(CC)c1Oc1ccc(cc1)C#N
CNC(=O)Cn1cc(C2CC2)c(Oc2ccc(cc2)C#N)c1C1CC1
CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|
COc1ccc(CCCc2ccc(O)cc2)c(O)c1
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#8])cc(-[#6@H]-2-[#6]-[#6]-c3ccc(-[#8])cc3-[#8]-2)c1-[#6]\[#6]=[#6](\[#6])-[#6] |r|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#8])ccc1-[#6@H]-1-[#6]-[#6]-c2ccc(-[#8])cc2-[#8]-1 |r|
Oc1ccc(cc1)[C@H]1CCc2ccc(O)cc2O1 |r|
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,)|
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,)|
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,)|
c1cc2c(cc1O)CCN(C2)C(=O)C(F)(F)F
CC\C(=C(/c1ccccc1)c1ccc(OCC[N+](C)(C)C)cc1)c1ccccc1
CC\C(=C(/c1ccccc1)c1ccc(OCC[N+](C)(C)CC)cc1)c1ccccc1
CC\C(=C(/c1ccccc1)c1ccc(OCC[N+](C)(C)C(C)C)cc1)c1ccccc1
CCCC[N+](C)(C)CCOc1ccc(cc1)C(=C(\CC)c1ccccc1)\c1ccccc1
CC(=O)c1ccc2N[C@@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11|
OC(=O)\C=C\c1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(O)cc1
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
OCc1nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)c3cc2c(=O)[nH]1 |r|
CC(=O)Oc1cc2CCCCCCCCCCOC(=O)c2c(OC(C)=O)c1
C[C@@H]1CCCCCCCc2cc(OC(C)=O)cc(OC(C)=O)c2C(=O)O1 |r|
c1cc2c(cc1O)CC[N@](C2)S(=O)(=O)C(F)(F)F
Oc1ccc2CCN(Cc2c1)S(=O)(=O)c1cccc2ccccc12
Oc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc2ccccc12
CS(=O)(=O)N1CCc2cc(O)ccc2C1
Oc1ccc2CN(CCc2c1)C(=O)C(Cl)(Cl)Cl
Oc1ccc2CN(CCc2c1)C(=O)C(F)(F)Cl
c1cc2c(cc1O)CN(CC2)C(=O)C(F)(F)F
COc1ccc2CN(CCc2c1)C(=O)C(F)(F)F
COc1cc(O)c(C=CC(C)(C)O)c2O[C@@H](CC(=O)c12)c1ccccc1 |r,w:7.6|
COc1cc(O)c(C=CC(C)(C)O)c2OC(CC(=O)c12)c1ccc(O)cc1 |w:7.6|
COc1cc(O)c(\C=C/C(C)(C)O)c(O)c1C(=O)\C=C\c1ccc(O)cc1
CC(C)[C@]1(O)CC[C@@]2(C)[C@H](O)CCC(=C)[C@@H]2[C@H]1O |r|
COc1ccc2[C@H]3Oc4cc5OCOc5cc4[C@@]3(O)COc2c1 |r|
Oc1ccc(cc1)-c1ccc(O)c(CN=O)c1-c1ccc(O)cc1
Oc1ccc(cc1)-c1ccc(O)c(CN=O)c1Cl
Oc1ccc(cc1F)-c1ccc(O)c(CN=O)c1Cl
Oc1ccc(cc1)N(CCC(F)(F)F)S(=O)(=O)c1ccc(O)cc1
OC[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(O)cc1 |r,THB:10:9:8.2.3:5.6|
CN(CC(C)(O)c1ccccc1)S(=O)(=O)c1ccc(O)cc1
CC(C)N(CC(C)(O)c1ccccc1)S(=O)(=O)c1ccc(O)cc1
CCCCN(CC(C)(O)c1ccccc1)S(=O)(=O)c1ccc(O)cc1
CC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1
C[C@](CN(C1CC1)S(=O)(=O)c2ccc(cc2)O)(c3ccccc3)O
C[C@@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1 |r|
Oc1ccc(cc1)S(=O)(=O)N(CC(O)(c1ccccc1)C(F)(F)F)C1CC1
CCCCC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1
CC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1F
CC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1c(F)cccc1F
CC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccn[nH]1
CC(O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccc(O)cc1
CN(C)C(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
CCN(C)C(=O)c1ccc(cc1F)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
CN(C)C(=O)c1ccc(cc1F)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nncs1 |r|
CC(C)([C@@H](c1ccccc1)c1ccc(O)cc1)C(=O)Nc1nccs1 |r|
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C
C[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O
CCc1c(-c2ccc(O)cc2)c2ccc3cccc1n23
c1cc(ccc1C[C@H](C#N)c2ccc(cc2)O)O
Oc1ccc(C[C@@H](C#N)c2ccc(O)cc2)cc1
CCCCN(C)C(=O)CCCCCCCCCCS[C@H]1[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2c2ccc(O)cc2C1=O
CCCCN(C)C(=O)CCCCCCCCCCS[C@@H]1[C@H](O)c2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](Cc1cc(O)ccc31)Sc1ccc(\C=C\C(O)=O)cc1
CN(C)C(=O)\C=C\c1ccc(S[C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23)cc1
CCCCN(C)C(=O)CCCCCCCCCCS[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](Sc1ccc(Br)cc1)C(O)c1cc(O)ccc31
COc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3[C@@H](Cc2c1)Sc1ccc(OCCN2CCCCC2)cc1
CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)c1ccc(O)cc1C(=O)[C@H]3Sc1ccc(Br)cc1
Cc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3C(=O)c2c1 |r|
Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1
Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O
NS(=O)(=O)Oc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)oc2c1 |TLB:21:20:18:15.14.16,THB:21:15:12.20.19:18,16:15:12:17.19.18,16:17:12:15.14.21,11:12:18:15.14.16,(-1.25,-4.19,;.08,-3.42,;-.69,-2.08,;.85,-2.08,;1.41,-4.19,;2.76,-3.42,;2.76,-1.87,;4.09,-1.1,;5.42,-1.86,;6.91,-1.38,;7.82,-2.63,;9.36,-2.63,;10.13,-1.29,;9.45,.09,;10.55,1.03,;11.96,1.18,;12.47,2.87,;11.3,1.82,;9.8,1.7,;12.03,.4,;11.65,-1.18,;12.63,-.14,;6.91,-3.9,;5.42,-3.42,;4.09,-4.19,)|
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OS(=O)(=O)N
COc1cccc2OC(c3cccc(F)c3)c3cc(NS(C)(=O)=O)ccc3-c12
COc1cccc2OC(c3ccc(C)cc3)c3cc(NS(C)(=O)=O)ccc3-c12
COc1cccc2OC(c3ccccc3)c3c(Br)c(NS(C)(=O)=O)ccc3-c12
COc1cccc2OC(c3ccccc3)c3cc(NS(C)(=O)=O)ccc3-c12
CS(=O)(=O)Nc1ccc-2c(c1)C(Oc1cccc(OC(F)F)c-21)c1ccccc1
COc1cccc2OC(c3cccc(Cl)c3)c3cc(NS(C)(=O)=O)ccc3-c12
COc1cccc2OC(c3cccs3)c3cc(NS(C)(=O)=O)ccc3-c12
CCOc1cccc2OC(c3ccccc3)c3cc(NS(C)(=O)=O)ccc3-c12
COc1cccc2OC(c3ccc(F)cc3)c3cc(NS(C)(=O)=O)ccc3-c12
CC1Oc2cc(O)cc(O)c2N=C1c1ccc(O)cc1 |c:12|
Oc1ccc(cc1)C1=Nc2ccc(O)cc2OC1 |t:8|
CCCC1Oc2cc(O)ccc2N=C1c1ccc(O)cc1 |c:13|
Oc1ccc2C3=Nc4ccc(O)cc4OC3CCc2c1 |t:5|
CC1Oc2cc(O)cc(C)c2N=C1c1ccc(O)c(Br)c1 |c:12|
CCC1Oc2cc(O)cc(C)c2N=C1c1ccc(O)c(Br)c1 |c:13|
CC1(C)Oc2cc(O)cc(O)c2N=C1c1ccc(O)c(Br)c1 |c:13|
CCC1Oc2cc(O)cc(O)c2N=C1c1ccc(O)c(Br)c1 |c:13|
CCC1Oc2cc(O)ccc2N=C1c1ccc(O)cc1 |c:12|
CC1Oc2cc(O)ccc2N=C1c1ccc(O)cc1 |c:11|
Oc1ccc(cc1)C1=Nc2c(O)cc(O)cc2OC1 |t:8|
CCC1Oc2cc(O)cc(O)c2N=C1c1ccc(O)cc1 |c:13|
CC1(C)Oc2cc(O)ccc2N=C1c1ccc(O)cc1 |c:12|
Oc1ccc2C3=Nc4ccc(O)cc4OC3Cc2c1 |t:5|
COc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1 |t:9|
CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C |c:29,t:11|
CC(O)c1ccc2c(c1)c(cc1cc(O)cc(C)c21)-c1ccc(OCCN2CCCCC2)cc1
CCc1ccc-2c(c1)C(Cc1cc(O)cc(C)c-21)c1ccc(OCCN2CCCCC2)cc1
CC(=O)c1ccc2c(c1)c(cc1cc(O)cc(C)c21)-c1ccc(OCCN2CCCCC2)cc1
CC(C)C(=O)c1ccc2c(c1)c(cc1cc(O)cc(C)c21)-c1ccc(OCCN2CCCCC2)cc1
[#6]\[#6](-[#6])=[#6](\[#6])-c1ccc2c(c1)c(cc1cc(-[#8])cc(-[#6])c21)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
CC(=C)c1ccc2c(c1)c(cc1cc(O)cc(C)c21)-c1ccc(OCCN2CCCCC2)cc1
C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:65,72|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N(C)S(=O)(=O)CCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:64,71|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC(O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:59,66|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|
CN(C(C)=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N(C)C(=O)NCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:60,67|
C[C@H](CCC(=O)N[C@@H](CCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:36,43|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N(C)C(=O)CCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4[C@@H](CCCN(C)c5ccc(cc5)[C@H]5C[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]6CCC7=CC(=O)CCC7=C56)[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:44,51|
Oc1ccc2c(Cc3ccccc3)c(-c3ccc(Cl)cc3)c(=O)oc2c1
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:10|
Oc1ccc2c3[C@H](Oc4c(F)cc(F)cc4-c3ccc2c1)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc2c3[C@@H](Oc4c(F)cc(F)cc4-c3ccc2c1)c1ccc(OCCN2CCCCC2)cc1
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C#C)C1CC[C@@H]2O |t:7|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C=C)C1CC[C@@H]2O |t:7|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C/F)C1CC[C@@H]2O |t:7|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CC=O)C1CC[C@@H]2O |t:7|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C/Cl)C1CC[C@@H]2O |t:7|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2O |t:7|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C\Br)C1CC[C@@H]2O |t:7|
CC\C=C/[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:11|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C=O)C1CC[C@@H]2O |t:7|
C[C@]1(O)CCC2C3CC=C4C[C@@H](O)CC[C@]4(C=C)C3CC[C@]12C |t:8|
CC#C[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:10|
C\C=C/[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:10|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CO)C1CC[C@@H]2O |t:7|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C\F)C1CC[C@@H]2O |t:7|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C/Br)C1CC[C@@H]2O |t:7|
CO\C=C/[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:11|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C\Cl)C1CC[C@@H]2O |t:7|
CCC[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:10|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CC#C)C1CC[C@@H]2O |t:7|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C=C)C1CC[C@@H]2O |t:8|
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C=C)C1CC[C@@]2(O)C#C |t:7|
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CC=C)C1CC[C@@H]2O |t:7|
CO\C=C\[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:11|
C\C=C\[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:10|
CC[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:9|
C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5[C@H](O)C[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC=C[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O |c:11,t:7|
CC[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 |c:9|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H]5CC[C@]34CCO5)[C@@H]1CC[C@@H]2O |t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CC[C@H]5O)[C@@H]1CC[C@@H]2O |t:7|
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:8|
C\C=C/[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 |c:10|
C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O |t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5[C@@H](O)C[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7|
C[C@]12CC[C@H]3[C@@H](CC4[C@H](O)C[C@@]33CCC(=O)C=C43)[C@@H]1CC[C@@H]2O |t:17,TLB:16:17:6.4.5:10.8|
C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@H]5CCC[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](CC=C)[C@@H](O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H]5CC[C@]34CC(=O)O5)[C@@H]1CC[C@@H]2O |t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C=C)[C@@H]1CC[C@@]2(O)C#C |t:7|
CCC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:2,4|
CC1=CC2=CC[C@H]3[C@@H]4CC[C@@](O)(C#C)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:1,3|
CC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 |t:1,3|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@](C)(O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@](C)(O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7|
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=C)CC[C@]34C)[C@@H]1CC[C@@H]2O |t:8|
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=C)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:8|
CC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:1,3|
C[C@]12CC[C@H]3[C@@H](CC=C4C=C(Cl)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7,9|
C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@]34C=C)c3ccccc3)[C@@H]1CC[C@@H]2O |c:9,t:7|
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O |t:7|
CC1=CC2=CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:1,3|
C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=C)[C@H]3CC[C@]12C |t:8|
COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC |r,c:17,t:10|
[#6]-[#8]-c1cc(-[#8])c(-[#6]-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#6])=[#6])c2-[#8]-[#6@@H](-[#6]-[#6](=O)-c12)-c1ccc(-[#8])cc1-[#8] |r|
Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccsc3)c2c1)C#N
Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccco3)c2c1)C#N
Cn1c(ccc1-c1ccc2NC(=O)COC(c3cccs3)(c3cccs3)c2c1)C#N
Cn1c(ccc1-c1ccc2NC(=O)COC(c3ccco3)(c3ccco3)c2c1)C#N
C[C@]1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |r,wU:1.0,wD:1.20,TLB:0:1:4.9:11.16,8:9:2.1:11.16,12:11:4.9:2.1,THB:17:1:4.9:11.16,(7.07,-47.06,;8.41,-47.83,;8.92,-48.6,;8.93,-50.8,;7.06,-51.32,;5.71,-52.09,;4.38,-51.32,;4.38,-49.77,;5.71,-49,;7.02,-49.92,;8.41,-49.25,;9.95,-50.15,;11.22,-49.41,;12.5,-50.14,;12.51,-51.63,;11.23,-52.37,;9.95,-51.63,;9.17,-46.49,;8.38,-45.16,;10.71,-46.47,;11.47,-45.13,;13.01,-44.95,;13.31,-43.44,;11.97,-42.68,;10.83,-43.72,)|
Cc1cnc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc32)s1 |TLB:9:8:12.17:19.24,16:17:10.8:19.24,20:19:12.17:10.8,THB:6:8:12.17:19.24,(10.12,-9.32,;10.3,-10.85,;11.64,-11.6,;11.34,-13.12,;9.8,-13.3,;9.05,-14.64,;7.5,-14.66,;6.72,-13.33,;6.75,-16,;5.41,-15.22,;7.26,-16.77,;7.26,-18.96,;5.4,-19.48,;4.05,-20.25,;2.72,-19.48,;2.72,-17.93,;4.05,-17.16,;5.36,-18.08,;6.75,-17.41,;8.28,-18.31,;9.55,-17.57,;10.83,-18.3,;10.84,-19.79,;9.56,-20.53,;8.28,-19.79,;9.17,-11.89,)|
C[C@]1(CC2(C#N)c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |r,wU:1.0,wD:1.22,TLB:0:1:6.11:13.18,10:11:2.1:13.18,14:13:6.11:2.1,THB:19:1:6.11:13.18,(17.34,-30.79,;18.69,-31.57,;19.19,-32.33,;19.2,-34.53,;19.19,-36.06,;19.17,-37.6,;17.33,-35.05,;15.99,-35.82,;14.65,-35.05,;14.65,-33.5,;15.98,-32.73,;17.3,-33.65,;18.69,-32.98,;20.22,-33.88,;21.5,-33.14,;22.78,-33.87,;22.78,-35.36,;21.5,-36.1,;20.22,-35.36,;19.44,-30.22,;18.66,-28.9,;20.99,-30.21,;21.74,-28.86,;23.28,-28.68,;23.59,-27.17,;22.24,-26.41,;21.11,-27.46,)|
CC1(CC2(C)c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |TLB:0:1:5.10:12.17,9:10:2.1:12.17,13:12:5.10:2.1,THB:18:1:5.10:12.17,(17.67,-16.57,;19.01,-17.35,;19.52,-18.11,;19.53,-20.31,;19.51,-21.84,;17.66,-20.83,;16.31,-21.6,;14.98,-20.83,;14.98,-19.28,;16.31,-18.51,;17.62,-19.43,;19.01,-18.76,;20.55,-19.66,;21.82,-18.92,;23.1,-19.65,;23.11,-21.14,;21.82,-21.88,;20.54,-21.14,;19.77,-16,;18.98,-14.68,;21.31,-15.99,;22.07,-14.64,;23.61,-14.46,;23.91,-12.95,;22.57,-12.19,;21.43,-13.24,)|
CC1(CC2(C)c3ccccc3C1c1ccccc21)C(=O)Nc1nncs1 |TLB:0:1:5.10:12.17,9:10:2.1:12.17,13:12:5.10:2.1,THB:18:1:5.10:12.17,(4.76,-30.1,;6.1,-30.88,;6.61,-31.65,;6.62,-33.85,;6.6,-35.38,;4.75,-34.37,;3.4,-35.14,;2.06,-34.37,;2.07,-32.82,;3.4,-32.04,;4.71,-32.97,;6.1,-32.3,;7.64,-33.2,;8.92,-32.46,;10.2,-33.19,;10.2,-34.68,;8.92,-35.42,;7.64,-34.68,;6.86,-29.54,;6.07,-28.21,;8.41,-29.52,;9.16,-28.17,;10.71,-27.99,;11.01,-26.48,;9.66,-25.72,;8.53,-26.77,)|
CCCSC1=C(CCc2c1sc1nc3CCCCCn3c(=O)c21)C=O |t:4|
CC(C)(C)SC1=C(CCc2c1sc1nc3CCCCCn3c(=O)c21)C=O |t:5|
O=CC1=C(SC2CCCC2)c2sc3nc4CCCCCn4c(=O)c3c2CC1 |c:2|
O=CC1=C(SC2CCCCC2)c2sc3nc4CCCCCn4c(=O)c3c2CC1 |c:2|
O=CC1=C(Sc2ccccc2)c2sc3nc4CCCCCn4c(=O)c3c2CC1 |c:2|
Oc1cccc(SC2=C(CCc3c2sc2nc4CCCCCn4c(=O)c32)C=O)c1 |t:7|
CCCSC1=C(CCc2c1sc1nc3CCCCCCn3c(=O)c21)C=O |t:4|
O=Cc1ccc2c(sc3nc4CCCCCn4c(=O)c23)c1Sc1ccccc1
ClC1=C(CCCc2c1sc1nc3CCCCCn3c(=O)c21)C=O |t:1|
COc1cc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2cc1O |r|
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(Cl)cc34)[C@@H]1CCCC2=O |r|
COc1cc2[C@H]3CC[C@@]4(C)[C@@H](CCCC4=O)[C@@H]3CCc2cc1O |r|
C[C@@]12[C@H](Cc3c1[nH]c1ccccc31)CC[C@@]1(O)C(C)(C)[C@H](O)CC[C@]21C |r|
C[C@@]12[C@H](Cc3c1[nH]c1ccccc31)CC[C@@]1(O)C(C)(C)C(=O)CC[C@]21C |r|
Cc1cccc(Oc2c(oc3cc(O)ccc3c2=O)C(F)(F)F)c1
Oc1ccc2c(c1)oc(c(-c1ccc(F)cc1)c2=O)C(F)(F)F
COc1cccc2oc3cc(O)ccc3c(=O)c12
Oc1cccc2c(OC(=O)c3ccc(Cl)cc3Cl)cccc12
COc1ccc(cc1)C(=O)Oc1cccc2c(O)cccc12
COC(=O)C(C)N1C(=O)S\C(=C\c2ccc(O)c(Cl)c2)C1=O
Oc1cccc(c1)C(=O)OCC(=O)c1ccc(Cl)cc1
Oc1ccc(cc1)-c1cc2ccccc2oc1=O
Cc1ccc(cc1)C(=O)C1C(N(C(=O)C1=O)c1ccc(O)cc1)c1ccc(Br)cc1
Oc1ccc(NCc2ccccc2OCc2ccccc2F)cc1
Oc1ccc(cc1)N1C(=O)c2ccc(Br)cc2C1=O
Oc1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
Cc1ccc(cc1)C(=O)Oc1cccc2c(O)cccc12
Oc1ccc(\C=C2/C(=O)c3ccccc3S2(=O)=O)cc1
CCOC(=O)C1C(c2ccc(F)cc2F)c2ccc(O)cc2OC1=N
Oc1ccc2c(oc(c(Oc3ccc(F)cc3)c2=O)C(F)(F)F)c1O
Oc1ccc2c(c1)oc(c(-c1ccccc1Cl)c2=O)C(F)(F)F |(-9.43,-6.02,;-8.09,-6.79,;-8.09,-8.33,;-6.76,-9.11,;-5.42,-8.33,;-5.43,-6.78,;-6.76,-6.02,;-4.1,-6.01,;-2.76,-6.77,;-2.75,-8.32,;-1.41,-9.08,;-.09,-8.3,;1.24,-9.06,;1.25,-10.61,;-.08,-11.38,;-1.41,-10.62,;-2.75,-11.39,;-4.09,-9.09,;-4.08,-10.63,;-1.43,-5.99,;-.09,-6.76,;-1.44,-4.45,;-.1,-5.21,)|
Cc1ccccc1-c1c(oc2cc(O)ccc2c1=O)C(F)(F)F |(11.68,-10.96,;13.01,-10.19,;14.35,-10.95,;15.68,-10.18,;15.67,-8.63,;14.33,-7.87,;13.02,-8.66,;11.68,-7.89,;11.67,-6.34,;10.33,-5.58,;9,-6.36,;7.67,-5.59,;6.34,-6.36,;5,-5.59,;6.33,-7.91,;7.67,-8.68,;9.01,-7.9,;10.34,-8.67,;10.35,-10.21,;13,-5.57,;14.34,-6.33,;12.99,-4.03,;14.33,-4.78,)|
Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1
COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:12|
CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:13|
OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7|
C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC
Oc1ccc2nc(-c3ccccc3)n(Cc3ccc(OCCN4CCCCC4)cc3)c2c1
Oc1ccc(cc1)-c1nc2ccccc2n1Cc1ccc(OCCN2CCCCC2)cc1
CC(C)([C@@H](c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nccs1 |r|
CC(C)([C@@H](c1ccccc1)c1ccc(O)c(Br)c1)C(=O)Nc1nccs1 |r|
CC(C)([C@@H](c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nncs1 |r|
CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nccs1 |r|
C[C@H]1CCN(CCOc2ccc(cc2)C(=O)c2c(sc3cc(O)ccc23)-c2ccc(O)cc2)C1 |r|
C[C@H](COc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1)N1CCCC1 |r|
Cc1ccc(cc1)C1=C([C@H]2[C@H](C[C@@H]1S2=O)S(=O)(=O)Oc1ccc(O)cc1)c1ccc(C)cc1 |r,t:8,TLB:4:7:10.11:13,26:8:10.11:13|
Cc1cc(ccc1O)C1=C([C@H]2[C@H](C[C@@H]1S2=O)S(=O)(=O)Oc1cccc2ccccc12)c1ccc(O)c(C)c1 |r,t:9,TLB:3:8:11.12:14,30:9:11.12:14|
Cc1cc(ccc1O)C1=C([C@H]2[C@H](C[C@@H]1S2=O)S(=O)(=O)Oc1ccccc1Br)c1ccc(O)c(C)c1 |r,t:9,TLB:3:8:11.12:14,27:9:11.12:14|
Cc1cc(ccc1O)C1=C([C@H]2[C@H](C[C@@H]1S2=O)S(=O)(=O)Oc1ccccc1Cl)c1ccc(O)c(C)c1 |r,t:9,TLB:3:8:11.12:14,27:9:11.12:14|
Cc1cc(ccc1O)C1=C([C@H]2[C@H](C[C@@H]1S2=O)S(=O)(=O)Oc1ccccc1F)c1ccc(O)c(C)c1 |r,t:9,TLB:3:8:11.12:14,27:9:11.12:14|
Cc1cc(ccc1O)C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(c(c5)C)O
Cc1cc(O)ccc1C1=C([C@@H]2c3c(O)n(c(O)c3[C@H]1S2=O)-c1ccccc1)c1ccc(O)cc1C |r,t:9,THB:20:19:9.8:11.17|
Cc1cc(ccc1C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccc(cc4)O)c5ccc(cc5C)O)O
Cc1cc(O)ccc1C1=C([C@H]2[C@H](C[C@@H]1S2=O)S(=O)(=O)Oc1cccc2ccccc12)c1ccc(O)cc1C |r,t:9,TLB:7:8:11.12:14,30:9:11.12:14|
Cc1cc(O)ccc1C1=C([C@H]2[C@H](C[C@@H]1S2=O)S(=O)(=O)Oc1ccc(Br)cc1)c1ccc(O)cc1C |r,t:9,TLB:7:8:11.12:14,27:9:11.12:14|
Cc1cc(O)ccc1C1=C([C@H]2[C@H](C[C@@H]1S2=O)S(=O)(=O)Oc1ccc(Cl)cc1)c1ccc(O)cc1C |r,t:9,TLB:7:8:11.12:14,27:9:11.12:14|
Cc1cc(O)ccc1C1=C([C@H]2[C@H](C[C@@H]1S2=O)S(=O)(=O)Oc1ccc(F)cc1)c1ccc(O)cc1C |r,t:9,TLB:7:8:11.12:14,27:9:11.12:14|
Cc1cc(O)ccc1C1=C([C@H]2[C@H](C[C@@H]1S2=O)S(=O)(=O)Oc1ccccc1Br)c1ccc(O)cc1C |r,t:9,TLB:7:8:11.12:14,27:9:11.12:14|
Cc1cc(O)ccc1C1=C([C@H]2[C@H](C[C@@H]1S2=O)S(=O)(=O)Oc1ccccc1Cl)c1ccc(O)cc1C |r,t:9,TLB:7:8:11.12:14,27:9:11.12:14|
Cc1cc(O)ccc1C1=C([C@H]2[C@H](C[C@@H]1S2=O)S(=O)(=O)Oc1ccccc1F)c1ccc(O)cc1C |r,t:9,TLB:7:8:11.12:14,27:9:11.12:14|
COc1ccc(OS(=O)(=O)[C@H]2C[C@H]3C(=C([C@@H]2S3=O)c2ccc(O)cc2C)c2ccc(O)cc2C)cc1 |r,c:13,TLB:26:13:10.11:16,18:14:10.11:16|
Cc1cc(ccc1C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(cc5C)O)O
Oc1c2[C@@H]3C(=C([C@H](c2c(O)n1-c1ccccc1)S3=O)c1ccc(O)cc1)c1ccc(O)cc1 |r,c:4,THB:19:5:17:7.2,26:4:17:7.2|
Oc1ccc(OS(=O)(=O)[C@H]2C[C@H]3C(=C([C@@H]2S3=O)c2ccc(O)cc2)c2ccc(O)cc2)cc1 |r,c:12,TLB:24:12:9.10:15,17:13:9.10:15|
Oc1ccc(cc1)C1=C([C@H]2[C@H](C[C@@H]1S2=O)S(=O)(=O)Oc1ccccc1)c1ccc(O)cc1 |r,t:8,TLB:4:7:10.11:13,25:8:10.11:13|
COc1ccc(OS(=O)(=O)[C@H]2C[C@H]3C(=C([C@@H]2S3=O)c2ccc(O)c(C)c2)c2ccc(O)c(C)c2)cc1 |r,c:13,TLB:26:13:10.11:16,18:14:10.11:16|
C[C@]12C[C@@H]([C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O)c1ccc(OCCCCCS(=O)(=O)C(F)(F)C(F)(F)F)cc1 |r|
C[C@]12C[C@@H]([C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O)c1ccc(OCCOCCOCCn2cc(C=Nc3cc(O)c4ccccc4c3O)nn2)cc1 |r,w:36.39|
C[C@]12C[C@@H]([C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O)c1ccc(OCCOCCOCCN=[N+]=[N-])cc1 |r|
C[C@]12C[C@@H]([C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)c5ccc(cc5)OCCN(C)C
CCCCc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc(cc1)C(=O)OC(c1ccccc1)c1ccccc1
Cc1cccc(c1)C(=O)Oc1ccc2ccc(O)cc2c1
COc1ccccc1C(=O)Oc1ccc2ccc(O)cc2c1
Oc1cccc2c(OC(=O)\C=C\c3ccccc3)cccc12
Oc1cccc2c(OC(=O)c3ccc(Br)cc3)cccc12
CCC(C)C(=O)Nc1nc2ccc(OC)cc2s1
CCOc1ccccc1C(=O)Oc1ccc2ccc(O)cc2c1
COc1cccc(c1)C(=O)Oc1cccc(O)c1
Oc1ccc2ccc(OC(=O)c3ccccc3F)cc2c1
COc1ccccc1C(=O)Oc1cccc2c(O)cccc12
Oc1cccc2c(OC(=O)c3ccccc3)cccc12
Cc1ccc(cc1)S(=O)(=O)Oc1cccc2c(O)cccc12
Oc1cccc2c(OC(=O)C3CCCCC3)cccc12
Oc1ccc2ccc(OC(=O)c3ccccc3Cl)cc2c1
Cc1ccccc1S(=O)(=O)Oc1cccc2c(O)cccc12
Oc1cccc2c(OC(=O)c3ccccc3Cl)cccc12
Cc1ccccc1S(=O)(=O)Oc1ccc2ccc(O)cc2c1
[#7]S(=O)(=O)c1ccc(-[#7]\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#6](=O)-[#7](-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#6]-2=O)cc1
COc1ccc(cc1)C(=O)COC(=O)c1ccc(O)cc1
OC(=O)c1ccc(O)cc1OC(=O)c1ccccc1
Oc1cccc(OC(=O)c2cccc(F)c2)c1
Oc1ccc(cc1O)C(=O)OCC(=O)c1ccccc1
Oc1ccc(cc1)C(=O)OCCc1ccccc1
Cn1c(cc(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1F
CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1 |(37.4,-10.26,;37.07,-8.76,;38.21,-7.72,;37.89,-6.22,;36.48,-5.59,;36.63,-4.06,;38.14,-3.74,;38.91,-5.07,;40.44,-5.22,;41.33,-3.98,;42.86,-4.12,;43.5,-5.53,;45.03,-5.69,;42.6,-6.78,;41.07,-6.63,;40.17,-7.88,;38.76,-2.33,;40.29,-2.17,;40.91,-.76,;40,.5,;40.62,1.9,;38.46,.31,;37.85,-1.1,;35.14,-6.37,;33.8,-5.61,;32.48,-6.38,;32.47,-7.92,;31.14,-8.69,;33.81,-8.69,;35.14,-7.92,)|
Cn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1 |(23.78,-8.43,;23.45,-6.92,;22.04,-6.3,;22.2,-4.77,;23.7,-4.44,;24.48,-5.77,;26,-5.93,;26.9,-4.68,;28.43,-4.83,;29.07,-6.24,;30.6,-6.4,;28.17,-7.49,;26.63,-7.34,;25.73,-8.58,;24.32,-3.04,;25.86,-2.88,;26.48,-1.47,;25.57,-.23,;26.19,1.2,;24.03,-.4,;23.41,-1.81,;20.71,-7.08,;19.37,-6.31,;18.04,-7.09,;18.04,-8.63,;16.7,-9.4,;19.37,-9.4,;20.71,-8.63,)|
CCCn1c(cc(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1
CCCc1c(cn(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1
CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1F)-c1ccc(O)cc1F |(56.08,-39.94,;55.75,-38.44,;56.89,-37.4,;56.56,-35.9,;55.15,-35.28,;55.31,-33.74,;56.81,-33.42,;57.59,-34.75,;59.12,-34.9,;60.01,-33.66,;61.54,-33.81,;62.18,-35.21,;63.71,-35.37,;61.28,-36.46,;59.75,-36.31,;58.84,-37.56,;57.44,-32.01,;58.97,-31.85,;59.59,-30.44,;58.68,-29.2,;59.3,-27.79,;57.14,-29.37,;56.53,-30.78,;55,-30.95,;53.82,-36.05,;52.48,-35.29,;51.15,-36.06,;51.15,-37.6,;49.82,-38.37,;52.48,-38.37,;53.82,-37.6,;55.16,-38.37,)|
CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1F |(39.48,-40.05,;39.15,-38.54,;40.29,-37.51,;39.96,-36,;38.56,-35.38,;38.71,-33.85,;40.22,-33.52,;40.99,-34.86,;42.52,-35.01,;43.41,-33.76,;44.94,-33.91,;45.58,-35.32,;47.11,-35.48,;44.68,-36.57,;43.15,-36.42,;42.25,-37.67,;40.84,-32.12,;42.37,-31.96,;42.99,-30.55,;42.08,-29.31,;42.7,-27.9,;40.54,-29.48,;39.93,-30.89,;37.22,-36.16,;35.88,-35.4,;34.55,-36.17,;34.55,-37.71,;33.22,-38.48,;35.89,-38.48,;37.22,-37.71,;38.56,-38.48,)|
Cn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1F |(23.88,-38.17,;23.55,-36.66,;22.14,-36.04,;22.3,-34.51,;23.8,-34.18,;24.58,-35.52,;26.1,-35.67,;27,-34.42,;28.53,-34.57,;29.17,-35.98,;30.7,-36.14,;28.27,-37.23,;26.73,-37.08,;25.83,-38.32,;24.42,-32.78,;25.96,-32.62,;26.58,-31.21,;25.67,-29.97,;26.29,-28.56,;24.13,-30.14,;23.52,-31.55,;20.81,-36.82,;19.47,-36.05,;18.14,-36.83,;18.14,-38.37,;16.81,-39.14,;19.47,-39.14,;20.81,-38.37,;22.15,-39.14,)|
CCCn1c(cc(c1-c1ccc(O)cc1)-c1ccc(O)cc1F)-c1ccc(O)cc1
CCCn1c(cc(c1-c1ccc(O)cc1Cl)-c1ccc(O)cc1)-c1ccc(O)cc1 |(31.93,-24.98,;31.61,-23.47,;32.75,-22.44,;32.42,-20.93,;31.01,-20.31,;31.17,-18.78,;32.67,-18.45,;33.45,-19.78,;34.97,-19.94,;35.87,-18.69,;37.4,-18.84,;38.04,-20.25,;39.57,-20.4,;37.13,-21.5,;35.6,-21.34,;34.7,-22.59,;33.29,-17.05,;34.82,-16.88,;35.45,-15.48,;34.54,-14.23,;35.15,-12.82,;33,-14.41,;32.38,-15.81,;29.67,-21.09,;28.34,-20.32,;27.01,-21.09,;27.01,-22.64,;25.67,-23.41,;28.34,-23.41,;29.68,-22.64,)|
Cn1c(cc(c1-c1ccc(O)cc1Cl)-c1ccc(O)cc1)-c1ccc(O)cc1 |(16.91,-23.7,;16.58,-22.2,;15.18,-21.58,;15.33,-20.05,;16.84,-19.72,;17.61,-21.05,;19.14,-21.2,;20.03,-19.96,;21.56,-20.11,;22.2,-21.52,;23.73,-21.67,;21.3,-22.77,;19.77,-22.61,;18.87,-23.86,;17.46,-18.32,;18.99,-18.15,;19.61,-16.74,;18.7,-15.5,;19.32,-14.09,;17.16,-15.67,;16.55,-17.08,;13.84,-22.35,;12.5,-21.59,;11.17,-22.36,;11.17,-23.9,;9.84,-24.67,;12.51,-24.68,;13.84,-23.9,)|
CCCn1c(cc(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1F
CCCn1c(cc(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1Cl
Cn1c(cc(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1Cl
Oc1ccc([C@H]2NC=N[C@H]2c2ccc(O)cc2I)c(I)c1 |c:7|
Oc1ccc([C@@H]2N=CN[C@@H]2c2c(Cl)cc(O)cc2Cl)c(F)c1 |c:6|
Oc1ccc([C@@H]2N=CN[C@@H]2c2c(Cl)cc(O)cc2Cl)c(Cl)c1 |c:6|
Oc1ccc([C@H]2N[Pt](I)(I)N[C@H]2c2c(Cl)cc(O)cc2Cl)c(Cl)c1
N[C@@H]([C@@H](N)c1ccc(O)cc1Cl)c1ccc(O)cc1Cl
CN1C=N[C@H]([C@H]1c1ccc(O)cc1Cl)c1ccc(O)cc1Cl |c:2|
CN1C=[N+](C)[C@H]([C@H]1c1ccc(O)cc1Cl)c1ccc(O)cc1Cl |t:2|
CCCN1C=N[C@H]([C@H]1c1ccc(O)cc1Cl)c1ccc(O)cc1Cl |c:4|
CCN1C=[N+](CC)[C@H]([C@H]1c1ccc(O)cc1Cl)c1ccc(O)cc1Cl |t:3|
CCN1C=N[C@H]([C@H]1c1ccc(O)cc1Cl)c1ccc(O)cc1Cl |c:3|
Oc1ccc([C@H]2NC=N[C@H]2c2c(Cl)cc(O)cc2Cl)c(Cl)c1 |c:7|
CC1=N[C@H]([C@H](N1)c1ccc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl |t:1|
N[C@@H]([C@@H](NC=O)c1ccc(O)cc1Cl)c1ccc(O)cc1Cl
CN(C)c1cccc(c1)N1CCc2cc(O)ccc2C1c1ccc(OCCN2CCCCC2)cc1
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)\C=C\CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r|
COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C\C=C\CC(F)(F)C(F)(F)C(F)(F)F)[C@@H]3CCc2c1 |r|
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)\C=C\CC(F)(F)C(F)(F)C(F)(F)F |r|
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C\C=C\CC(F)(C(F)(F)F)C(F)(F)F |r|
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C\C=C\CC(F)(F)C(F)(F)C(F)(F)F |r|
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)\C=C\CC(F)(C(F)(F)F)C(F)(F)F |r|
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C\C=C\CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r|
COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)\C=C\CC(F)(F)C(F)(F)C(F)(F)F)[C@@H]3CCc2c1 |r|
Oc1ccc(cc1)C1=Cc2ccc(O)cc2OC1 |t:8|
Oc1ccc(cc1)C1=COc2cc(O)ccc2C1 |t:8|
Oc1ccc(cc1)C1COc2ccccc2C1
Oc1ccc2CC(COc2c1)c1ccccc1
Oc1ccc(Br)cc1\C=N\NC(=O)c1cc2ccccc2cc1O
COc1cc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc(OC)c1O
Oc1ccc(-c2cocc2-c2ccc(O)cc2Cl)c(Cl)c1
Oc1ccc(-c2cocc2-c2ccc(O)cc2F)c(F)c1
Cc1cc(O)ccc1-c1cocc1-c1ccc(O)cc1C
Oc1ccc(cc1)-c1cocc1-c1ccc(O)cc1
Oc1ccc(-c2ccc(o2)-c2ccc(O)cc2Cl)c(Cl)c1
Cc1cc(O)ccc1-c1ccc(o1)-c1ccc(O)cc1C
Oc1ccc(-c2cc(c(s2)-c2ccc(O)cc2Cl)-c2ccc(O)cc2Cl)c(Cl)c1
Oc1ccc(-c2cc(c(s2)-c2ccc(O)cc2F)-c2ccc(O)cc2F)c(F)c1
Oc1ccc(cc1)-c1cc(c(s1)-c1ccc(O)cc1)-c1ccc(O)cc1
Oc1ccc(-c2cc(c(s2)-c2ccc(O)cc2Cl)-c2ccccc2)c(Cl)c1
Oc1ccc(-c2cc(c(s2)-c2ccc(O)cc2F)-c2ccccc2)c(F)c1
Cc1cc(sc1-c1ccc(O)cc1Cl)-c1ccc(O)cc1Cl
Cc1cc(sc1-c1ccc(O)cc1F)-c1ccc(O)cc1F
Cc1cc(sc1-c1ccc(O)cc1C)-c1ccc(O)cc1C
Cc1cc(sc1-c1ccc(O)cc1)-c1ccc(O)cc1
Oc1ccc(-c2ccsc2-c2ccc(O)cc2Cl)c(Cl)c1
Oc1ccc(-c2ccsc2-c2ccc(O)cc2F)c(F)c1
Oc1ccc(-c2csc(c2)-c2ccc(O)cc2Cl)c(Cl)c1
Oc1ccc(-c2csc(c2)-c2ccc(O)cc2F)c(F)c1
Oc1ccc(-c2cscc2-c2ccc(O)cc2Cl)c(Cl)c1
Oc1ccc(-c2cscc2-c2ccc(O)cc2F)c(F)c1
Cc1cc(O)ccc1-c1cscc1-c1ccc(O)cc1C
Oc1ccc(cc1)-c1cscc1-c1ccc(O)cc1
Cc1cc(O)ccc1-c1ccc(s1)-c1ccc(O)cc1Cl
Cc1cc(O)ccc1-c1ccc(s1)-c1ccc(O)cc1F
Oc1ccc(-c2ccc(s2)-c2ccc(O)cc2Cl)c(Cl)c1
Oc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1
CC[Si](CC)(c1ccc(O)cc1)c1ccc(O)cc1
CC[Si](CC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
CCC[Si](CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
[#8]-c1ccc(cc1)-[#6](=[#7]/c1ccccc1)\c1ccc(-[#8])cc1
[#6]-c1ccccc1\[#7]=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#6]-c1cccc(c1)\[#7]=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](=[#7]/c1ccccc1Cl)\c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](=[#7]/c1cccc(Cl)c1)\c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](=[#7]/c1ccc(Cl)cc1)\c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](=[#7]/c1cccc(c1)C(F)(F)F)\c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](=[#7]/c1ccc(F)cc1)\c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](=[#7]/c1ccc(Br)cc1)\c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)\[#7]=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
Oc1ccc(cc1)C(=N/c1ccccc1)\c1ccc(O)cc1O
Cc1cccc(c1)\N=C(/c1ccc(O)cc1)c1ccc(O)cc1O
Cc1ccc(cc1)\N=C(/c1ccc(O)cc1)c1ccc(O)cc1O
Oc1ccc(cc1)C(=N/c1ccccc1Cl)\c1ccc(O)cc1O
Oc1ccc(cc1)C(=N/c1cccc(Cl)c1)\c1ccc(O)cc1O
Oc1ccc(cc1)C(=N/c1ccc(Cl)cc1)\c1ccc(O)cc1O
Oc1ccc(cc1)C(=N/c1cccc(c1)C(F)(F)F)\c1ccc(O)cc1O
Oc1ccc(cc1)C(=N/c1ccc(F)cc1)\c1ccc(O)cc1O
Oc1ccc(cc1)C(=N/c1ccc(Br)cc1)\c1ccc(O)cc1O
COc1ccc(cc1)\N=C(/c1ccc(O)cc1)c1ccc(O)cc1O
Oc1ccc(cc1)\N=C(/c1ccc(O)cc1)c1ccc(O)cc1O
COc1cc(OC)cc(c1)-c1nnc(o1)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O |r|
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)C1(CC1)c1ccccc1)c1ccccc1 |r|
COc1ccc(cc1)C1=C(C(=O)c2ccc(OCCN3CCCC3)cc2)c2ccccc2CC1
COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12|
C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)nc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C |r|
[H][C@@]12CC[C@H](OC(=O)Cc3ccc(cc3)N(CCCl)CCCl)[C@@]1(C)CC[C@]1([H])c3ccc(OC(=O)Cc4ccc(cc4)N(CCCl)CCCl)cc3CC[C@@]21[H] |r|
COc1ccc(cc1)C1=C(CCCc2cc(O)ccc12)c1ccccc1 |t:9|
CCOc1ccc(cc1)C1=C(CCCc2cc(O)ccc12)c1ccccc1 |t:10|
CN(C)CCOc1ccc2c(CCCC(c3ccccc3)=C2c2ccc(O)cc2)c1 |c:21|
COc1ccc2c(CCCC(c3ccccc3)=C2c2ccc(O)cc2)c1 |c:17|
CCOc1ccc2c(CCCC(c3ccccc3)=C2c2ccc(O)cc2)c1 |c:18|
CNCCOc1ccc2c(CCCC(c3ccccc3)=C2c2ccc(O)cc2)c1 |c:20|
[#6]-[#6]\[#6](=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
CCOc1ccc2c(CCCC(c3ccccc3)=C2c2ccc(OCCN(C)C)cc2)c1 |c:18|
CNCCOc1ccc(cc1)C1=C(CCCc2cc(O)ccc12)c1ccccc1 |t:12|
CN(C)CCOc1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(O)cc1)C2 |TLB:21:18:15:28.12.13,THB:9:12:15:19.17.18,17:16:13:19.18.20,17:18:15.16.28:13,20:18:15:28.12.13,20:12:15:19.17.18|
Oc1ccc(cc1)[C@H]1[C@@H](C(=O)N1c1ccc(O)cc1)c1ccc(O)cc1 |r|
Oc1ccc(cc1)[C@H]1[C@@H](C(=O)N1c1ccc(O)cc1)c1ccccc1 |r|
Oc1ccc(cc1)[C@H]1[C@H](Oc2ccccc2)C(=O)N1c1ccc(O)cc1 |r|
Oc1ccc(cc1)[C@H]1[C@@H](C(=O)N1c1ccc(O)cc1)c1ccc2ccccc2c1 |r|
Oc1ccc(cc1)[C@@H]1N(C(=O)C1(c1ccccc1)c1ccccc1)c1ccc(O)cc1 |r|
COc1cc(cc(OC)c1OC)[C@H]1[C@@H](N(C1=O)c1ccc(O)cc1)c1ccc(O)cc1 |r|
COc1cc(cc(OC)c1OC)[C@H]1[C@@H](C(=O)N1c1ccc(O)cc1)c1ccc(O)cc1 |r|
[H][C@]1(C(O)c2ccc(O)cc2)[C@@H](N(C1=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)cc1 |r|
Oc1ccc(cc1)[C@H]1CC(=O)N1c1ccc(O)cc1 |r|
CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r|
CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)Nc1nncs1 |r|
Cc1c(ccc(c1Cl)C#N)C2=NN3CC[C@@H]([C@H]3[C@@H]2OC)O
C\C(=N/O)c1cc(ccc1O)-c1ccc(O)cc1
C\C(=N/O)c1cc(ccc1O)-c1ccc(O)c(F)c1
[H][C@]12CCc3cc(O)ccc3[C@]1(CC)C[C@@](C)(O)[C@@](O)(C2)c1ccccc1 |r|
Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12
CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(F)cc1
[#6]-[#6]\[#6](-[#6]-[#6])=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7])cc1
CC\C(=C(\c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccccc1
CC\C(=C(\c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
NCCOc1ccc(cc1)C(=C\c1ccccc1)\c1ccc(O)cc1
C\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
NCCOc1ccc(cc1)C(=C(/CCCl)c1ccccc1)\c1ccc(O)cc1
CCC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
[#7]-[#6]-[#6]-[#8]-c1ccc(cc1)-[#6](=[#6](\c1ccccc1)-c1ccccc1)\c1ccc(-[#8])cc1
NCCOc1ccc(cc1)C(=C(/Cn1cncn1)c1ccccc1)\c1ccc(O)cc1
NCCOc1ccc(cc1)C(=C(\Cn1cnnc1)c1ccccc1)\c1ccc(O)cc1
NCCOc1ccc(cc1)C(=C(/Cn1cnnc1)c1ccccc1)\c1ccc(O)cc1
NCCOc1ccc(cc1)C(=C1/CCc2ccccc12)\c1ccc(O)cc1
CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCCN)cc1)c1ccccc1
CC\C(=C(\c1ccc(O)cc1)c1ccc(CCCN)cc1)c1ccccc1
CC\C(=C(\c1ccc(O)cc1)c1ccc(CCCN)cc1)c1ccc(O)cc1
CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Cc1cc(F)ccc1-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2ccc(N)cc2oc1=O |(5.33,.46,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;7.73,-3.7,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,)|
OC(=O)\C=C\c1ccc(Cc2c(-c3ccc(F)cc3)c(=O)oc3cc(O)ccc23)cc1
OC(=O)\C=C\c1ccc(Cc2c(-c3cccc(OC(F)(F)F)c3)c(=O)oc3cc(O)ccc23)cc1
COc1cccc(c1)-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O
Cc1cccc(c1)-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O
OC(=O)\C=C\c1ccc(Cc2c(-c3ccccc3)c(=O)oc3cc(O)ccc23)cc1
OC(=O)\C=C\c1ccc(Cc2c(-c3ccc(Cl)cc3)c(=O)oc3cc(O)ccc23)cc1
OC(=O)\C=C\c1ccc(Cc2c(-c3ccc(cc3)C(F)(F)F)c(=O)oc3cc(O)ccc23)cc1
COc1ccc(cc1)-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O
OC(=O)\C=C\c1ccc(Cc2c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc3cc(O)ccc23)cc1
OC(=O)\C=C\c1ccc(Cc2c(-c3ccc(F)cc3F)c(=O)oc3cc(O)ccc23)cc1 |(-6.67,7.39,;-6.67,6.16,;-7.74,5.54,;-5.33,5.39,;-4,6.16,;-2.66,5.39,;-1.33,6.16,;0,5.39,;0,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;4,1.54,;3.99,3.08,;5.33,3.85,;6.66,3.08,;7.73,3.7,;6.66,1.54,;5.33,.77,;5.33,-.46,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-3.75,-1.39,;-2.68,.77,;-1.33,1.54,;,.77,;-1.33,3.08,;-2.67,3.85,)|
OC(=O)\C=C\c1ccc(Cc2c(-c3ccc(F)cc3Cl)c(=O)oc3cc(O)ccc23)cc1 |(-6.67,7.39,;-6.67,6.16,;-7.74,5.54,;-5.33,5.39,;-4,6.16,;-2.66,5.39,;-1.33,6.16,;0,5.39,;0,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;4,1.54,;3.99,3.08,;5.33,3.85,;6.66,3.08,;7.73,3.7,;6.66,1.54,;5.33,.77,;5.33,-.46,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-3.75,-1.39,;-2.68,.77,;-1.33,1.54,;,.77,;-1.33,3.08,;-2.67,3.85,)|
COc1cc(F)ccc1-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(6.41,-1.38,;5.34,-.77,;5.33,.77,;6.66,1.54,;6.66,3.08,;7.73,3.7,;5.33,3.85,;3.99,3.08,;4,1.54,;2.66,.77,;1.33,1.54,;1.33,3.08,;0,3.85,;0,5.39,;-1.33,6.16,;-2.66,5.39,;-4,6.16,;-5.33,5.39,;-6.67,6.16,;-6.67,7.39,;-7.74,5.54,;-2.67,3.85,;-1.33,3.08,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-3.75,-1.39,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,)|
Cc1cc(ccc1C2=C(c3ccc(cc3OC2=O)O)Cc4ccc(cc4)/C=C/C(=O)O)F
Cc1cc(Cl)ccc1-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(5.33,-.46,;5.33,.77,;6.66,1.54,;6.66,3.08,;7.73,3.7,;5.33,3.85,;3.99,3.08,;4,1.54,;2.66,.77,;1.33,1.54,;1.33,3.08,;0,3.85,;0,5.39,;-1.33,6.16,;-2.66,5.39,;-4,6.16,;-5.33,5.39,;-6.67,6.16,;-6.67,7.39,;-7.74,5.54,;-2.67,3.85,;-1.33,3.08,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-3.75,-1.39,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,)|
Cc1cc(OC(F)(F)F)ccc1-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(2.93,3.7,;4,3.08,;5.33,3.85,;6.67,3.07,;8,3.84,;9.34,3.07,;10.4,3.68,;9.33,1.83,;10.4,2.45,;6.66,1.53,;5.33,.77,;4,1.54,;2.66,.77,;1.33,1.54,;1.33,3.08,;0,3.85,;0,5.39,;-1.33,6.16,;-2.66,5.39,;-4,6.16,;-5.33,5.39,;-6.67,6.16,;-6.67,7.39,;-7.74,5.54,;-2.67,3.85,;-1.33,3.08,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-3.75,-1.39,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,)|
Cc1cc(F)ccc1-c1c(-c2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(5.33,-.46,;5.33,.77,;6.66,1.54,;6.66,3.08,;7.73,3.7,;5.33,3.85,;3.99,3.08,;4,1.54,;2.66,.77,;1.33,1.54,;1.33,3.08,;-0,3.85,;0,5.39,;1.34,6.16,;1.34,7.7,;2.68,8.47,;2.68,10.01,;1.62,10.63,;3.75,10.62,;2.67,5.39,;2.67,3.85,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-3.75,-1.39,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,)|
Cc1cc(F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(-5.36,-.45,;-5.35,.78,;-6.68,1.56,;-6.67,3.1,;-7.73,3.72,;-5.33,3.86,;-4,3.08,;-4.01,1.54,;-2.68,.77,;-1.33,1.54,;-1.33,3.08,;.01,3.84,;1.34,3.07,;2.68,3.83,;2.69,5.37,;4.02,6.14,;4.03,7.68,;5.37,8.44,;6.43,7.82,;5.37,9.68,;1.36,6.15,;.02,5.38,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-3.75,-1.39,)|
Cc1cc(OC(F)(F)F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(5.33,.26,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;8,-3.85,;9.33,-3.08,;9.33,-2.06,;10.4,-2.47,;10.22,-3.6,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,)|
Cc1cc(F)ccc1-c1c(Nc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(5.33,.46,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;7.73,-3.7,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,)|
CN(c1ccc(\C=C\C(O)=O)cc1)c1c(-c2ccc(F)cc2C)c(=O)oc2cc(O)ccc12 |(2.4,-3.69,;1.33,-3.08,;0,-3.85,;-1.33,-3.08,;-2.67,-3.85,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-1.33,-6.16,;0,-5.39,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;7.73,-3.7,;6.66,-1.54,;5.33,-.77,;5.33,.46,;2.66,.77,;3.73,1.38,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-3.75,1.39,;-2.68,-.77,;-1.33,-1.54,;,-.77,)|
Cc1cc(F)ccc1-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2c(F)cc(O)cc2oc1=O |(5.33,.46,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;7.73,-3.7,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.86,-2.98,;.87,-4.17,;1.4,-5.61,;.41,-6.79,;-1.1,-6.53,;-2.1,-7.71,;-3.61,-7.44,;-4.61,-8.62,;-4.19,-9.78,;-5.82,-8.4,;-1.63,-5.08,;-.64,-3.9,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,)|
Cc1cc(F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2cc(F)c(O)cc2oc1=O |(5.33,.46,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;7.73,-3.7,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-3.75,-1.39,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,)|
Cc1cc(F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)c(F)c2oc1=O |(5.33,.46,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;7.73,-3.7,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;-1.33,2.77,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,)|
Cc1cc2c(Cc3ccc(\C=C\C(O)=O)cc3)c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2cc1O
Cc1c(O)ccc2c(Cc3ccc(\C=C\C(O)=O)cc3)c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc12
OC(=O)\C=C\c1ccc(Cc2c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc3ccccc23)cc1
Cc1cc(F)ccc1-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2ccc(CO)cc2oc1=O |(5.33,.46,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;7.73,-3.7,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-4.02,1.54,;-5.08,.92,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,)|
Cc1cc(F)ccc1-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2ccc(cc2oc1=O)C(F)F |(5.33,.46,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;7.73,-3.7,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,;-4.02,1.54,;-5.08,.92,;-4.02,2.77,)|
COc1ccc2c(Cc3ccc(\C=C\C(O)=O)cc3)c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2c1
OC(=O)\C=C\c1ccc(Cc2c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc3cc(F)ccc23)cc1
Cc1cc(F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccccc2oc1=O |(5.33,.46,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;7.73,-3.7,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,)|
Cc1cc(OC(F)(F)F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccccc2oc1=O |(5.33,.26,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;8,-3.85,;9.33,-3.08,;10.22,-3.6,;9.33,-2.06,;10.4,-2.47,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,)|
Cc1cc(OC(F)(F)F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(cc2oc1=O)C(F)F |(5.33,.26,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;8,-3.85,;9.33,-3.08,;10.22,-3.6,;9.33,-2.06,;10.4,-2.47,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,;-4.02,1.54,;-5.08,.92,;-4.02,2.77,)|
CCOc1ccc2c(Oc3ccc(\C=C\C(O)=O)cc3)c(-c3ccc(OC(F)(F)F)cc3C)c(=O)oc2c1 |(-6.42,1.38,;-5.35,.76,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;8,-3.85,;9.33,-3.08,;10.22,-3.6,;9.33,-2.06,;10.4,-2.47,;6.66,-1.54,;5.33,-.77,;5.33,.26,;2.66,.77,;3.73,1.38,;1.33,1.54,;,.77,;-1.33,1.54,)|
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1 |r|
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)C(F)(F)F)c1ccc(F)cc1 |r|
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ccc(F)cc1 |r|
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cc[nH]n1)c1ccc(F)cc1 |r|
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1conc1C)c1ccc(F)cc1 |r|
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)N1CCOCC1)c1ccc(F)cc1 |r|
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cccnc1)c1ccc(F)cc1 |r|
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(NS(C)(=O)=O)cccc2[nH]1)c1ccc(F)cc1 |r|
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1cccc2[nH]ncc12)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2cn[nH]c2c1)c1ccccc1
CC\C(=C(/c1ccc2[nH]ncc2c1)c1ccc(\C=C\C(O)=O)cc1C)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)c(C)c1)c1ccc2[nH]ncc2c1)c1ccccc1
CC\C(=C(/c1ccc2[nH]ncc2c1)c1ccc(\C=C\C(O)=O)cc1OC)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)c(OC)c1)c1ccc2[nH]ncc2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)nc1)c1ccc2[nH]ncc2c1)c1ccccc1
CC\C(=C(\c1csc(\C=C\C(O)=O)c1)c1ccc2[nH]ncc2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1cccnc1C
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccncc1C
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1cnccc1C
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccncc1Cl
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1cscc1C
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1Cl
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1cccc(Cl)c1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1C#N
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1cccc(c1)C#N
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(cc1)C#N
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1C
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1S(C)(=O)=O
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1OC
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(cc1C)C#N
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(cc1Cl)C#N
CC\C(=C(/c1ccccc1)c1ccc(\C=C\C(O)=O)cc1)c1ccc(O)cc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc(O)nc1)c1ccccc1
CC\C(=C(/c1ccc(NS(C)(=O)=O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]c(=O)sc2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]c(=O)oc2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ccc2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]cnc2c1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]nnc2c1)c1ccccc1
CCCCCCNCCOc1ccc(cc1)C(=C(\CC)c1ccccc1)\c1ccc(O)cc1
CCCCCCCCNCCOc1ccc(cc1)C(=C(\CC)c1ccccc1)\c1ccc(O)cc1
CCCCCCCCCCNCCOc1ccc(cc1)C(=C(\CC)c1ccccc1)\c1ccc(O)cc1
CCCCCCCCCCCCNCCOc1ccc(cc1)C(=C(\CC)c1ccccc1)\c1ccc(O)cc1
CCCCCCCCCCCCCCNCCOc1ccc(cc1)C(=C(\CC)c1ccccc1)\c1ccc(O)cc1
CCCCCCCCCCCCCCCCNCCOc1ccc(cc1)C(=C(\CC)c1ccccc1)\c1ccc(O)cc1
CCCCCCCCCCCCCCCCCCNCCOc1ccc(cc1)C(=C(\CC)c1ccccc1)\c1ccc(O)cc1
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCNCCCCCCCCCCO)cc1)c1ccccc1
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCNCCCCCCCCCCF)cc1)c1ccccc1
[H][C@]12C[C@@H]([C@]([H])(O1)C(=C2c1ccc(O)cc1)c1ccc(O)cc1)S(=O)(=O)Oc1ccccc1 |r,c:8,TLB:23:3:7.8:6,THB:9:8:2.3:6,16:7:2.3:6|
COC(=O)CCCCCCC(=O)Nc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(O)cc2)cc1 |c:27|
OC(=O)CCCCCCC(=O)Nc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(O)cc2)cc1 |c:26|
OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccccc1)c1ccc(O)cc1 |t:19|
Cc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(NC(=O)CCCCCCC(O)=O)cc2)cc1 |c:15|
COc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(NC(=O)CCCCCCC(O)=O)cc2)cc1 |c:16|
Cc1ccccc1OS(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:18|
OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccccc1O)c1ccc(O)cc1 |t:19|
OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(Br)cc1)c1ccc(O)cc1 |t:19|
OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(cc1)C(F)(F)F)c1ccc(O)cc1 |t:19|
OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccccc1C(F)(F)F)c1ccc(O)cc1 |t:19|
OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc2ccccc2c1)c1ccc(O)cc1 |t:19|
ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc2ccccc2c1)c1ccc(O)cc1 |t:20|
COC(=O)CCCCCCC(=O)Nc1cccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(O)cc2)c1 |c:28|
OC(=O)CCCCCCC(=O)Nc1cccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(O)cc2)c1 |c:27|
ONC(=O)CCCCCCC(=O)Nc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(O)cc2)cc1 |c:27|
COc1cccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(NC(=O)CCCCCCC(O)=O)cc2)c1 |c:17|
OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1cccc(O)c1)c1ccc(O)cc1 |t:19|
OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(O)cc1)c1ccc(O)cc1 |t:19|
COc1ccccc1OS(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:19|
OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(F)cc1)c1ccc(O)cc1 |t:19|
OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(Cl)cc1)c1ccc(O)cc1 |t:19|
Cc1cccc(C)c1OS(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:19|
ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccccc1)c1ccc(O)cc1 |t:20|
Cc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1 |c:15|
Cc1cccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)c1 |c:16|
Cc1ccccc1OS(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |c:18|
COc1ccccc1OS(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |c:19|
ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(F)cc1)c1ccc(O)cc1 |t:20|
ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(Br)cc1)c1ccc(O)cc1 |t:20|
ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1cccc2ccccc12)c1ccc(O)cc1 |t:20|
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
[H][C@]1(NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC |r|
[H][C@]1(NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC |r|
[H][C@]1(NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r|
[H][C@]1(NC(=O)[C@@H](CCCC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC |r|
[H][C@]1(NC(=O)[C@@H](C\C=C/C[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC |r,c:7|
[H][C@]1(NC(=O)[C@@H](C\C=C\C[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC |r,t:7|
CC[C@H](C)[C@H](NC(=O)[C@@H](CC=C)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)C(CC)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)C(CC)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r|
[H][C@]1(NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC |r|
[H][C@]1(NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC |r|
CCN(Cc1ccc(cc1)C(=O)N1CCc2ccc(OS(N)(=O)=O)cc2C1)Cc1ccccn1
CCN(Cc1ccc(cc1)C(=O)N1CCc2ccc(O)cc2C1)Cc1ccccn1
CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r|
CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r|
C[C@@H](CO)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r|
C[C@H](CO)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCO)c1ccc(\C=C\C(O)=O)cc1 |r|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1)C(O)=O |r|
C[C@@H]1Cc2c([nH]c3ccc(O)cc23)[C@H](N1CCO)c1ccc(Cl)cc1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCC(O)=O)c1ccc(Cl)cc1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCO)c1ccc(Cl)cc1 |r|
OC(=O)CCN1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1
OCCN1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1
CC(C)C[C@H](NC(=O)[C@]1(C)CCCCCCCC[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r|
Cc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
Oc1ccc2c(C(=O)c3ccc(cc3)C(F)(F)F)c(sc2c1)-c1ccc(F)cc1
Oc1ccc2c(C(=O)c3ccc(cc3)C(F)(F)F)c(sc2c1)-c1ccc(Cl)cc1
Oc1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(F)cc2)cc1
CS(=O)(=O)c1ccc(cc1)C(=O)c1sc2cc(O)ccc2c1-c1ccc(F)cc1
Oc1ccc(cc1)C(=O)c1sc2cc(O)ccc2c1-c1ccc(F)cc1
CN(C)c1ccc(cc1)C(=O)c1sc2cc(O)ccc2c1-c1ccc(F)cc1
Cc1ccc(cc1)C(=O)c1sc2cc(O)ccc2c1-c1ccc(F)cc1
Oc1ccc2c(c(sc2c1)C(=O)c1ccc(F)cc1)-c1ccc(F)cc1
Oc1ccc2c(c(sc2c1)C(=O)C1CC1)-c1ccc(F)cc1
Oc1ccc2c(c(sc2c1)C(=O)C1CCCCC1)-c1ccc(F)cc1
Oc1ccc2c(c(sc2c1)C(=O)c1ccc(cc1)C#C)-c1ccc(F)cc1
Oc1ccc2c(c(sc2c1)C(=O)c1ccc(cc1)C(F)(F)F)-c1ccc(F)cc1
Oc1ccc2c(c(sc2c1)C(=O)c1ccc(cc1)C#N)-c1ccc(F)cc1
Oc1ccc(Oc2sc3cc(O)ccc3c2-c2ccc(F)cc2)cc1
Oc1ccc2c(c(Oc3ccc(Cl)cc3)sc2c1)-c1ccc(F)cc1
Oc1ccc2c(c(Oc3ccc(F)cc3)sc2c1)-c1ccc(F)cc1
Oc1ccc2c(c(Oc3ccc(F)c(F)c3)sc2c1)-c1ccc(F)cc1
CC(C)CN1CCc2cc(O)ccc2[C@]1(C)c1ccc(\C=C\C(O)=O)cc1 |r|
CC(C)(F)CN1[C@H](c2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2CC1(C)C |r|
C[C@H](CF)CN1[C@@H](c2ccc(O)cc2CC1(C)C)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
C[C@H](CF)CN1[C@H](c2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2CC1(C)C |r|
COC[C@H](C)CN1[C@@H](c2ccc(O)cc2CC1(C)C)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
CC(C)CN1[C@@H](c2ccc(O)cc2CC1(C)C)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
C[C@@H]1Cc2cc(O)ccc2[C@H](N1c1ccc(OC(F)(F)F)cc1)c1ccc(\C=C\C(O)=O)cc1 |r|
C[C@@H]1Cc2cc(O)ccc2[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
C[C@H](CF)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r|
C[C@H](CF)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r|
COC[C@H](C)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r|
COC[C@H](C)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r|
COc1ccc2[C@H](N(CC(C)C)[C@H](C)Cc2c1)c1ccc(\C=C\C(O)=O)cc1 |r|
CC(C)CN1[C@H](C)Cc2ccccc2[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r|
Cc1cc2c(cc1O)CCN([C@@H]2c3ccc(cc3)/C=C/C(=O)O)CC(C)C
Cc1c(ccc2c1CCN([C@@H]2c3ccc(cc3)/C=C/C(=O)O)CC(C)C)O
CC(C)CN1[C@H](c2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2CC1(C)C |r|
CC(C)CN1[C@H](C)Cc2cc(O)ccc2[C@@]1(C)c1ccc(\C=C\C(O)=O)cc1 |r|
C[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)C)c3ccc(cc3)/C=C/C(=O)O)O
CC(C)CN1CCc2cc(ccc2[C@@]1(C)c3ccc(cc3)/C=C/C(=O)O)O
CC(C)CN1CCc2cc(O)ccc2[C@@H]1c1ccc(\C=C\C(O)=O)cc1 |r|
OC(=O)\C=C\c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccc(OC(F)(F)F)cc1
OC(=O)\C=C\c1ccc(cc1)C1N(Cc2ccccc2)CCc2cc(O)ccc12
OC(=O)\C=C\c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
CC(C)CN1[C@@H](c2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2CC1(C)C |r|
C\C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1
CCCCCCCCCC(=O)Oc1ccc(cc1)C(=C(\C)c1ccccc1)\c1ccc(OCCN2CCCCC2)cc1
CC(=O)Oc1ccc(cc1)C(=C(\C)c1ccccc1)\c1ccc(OCCN2CCCCC2)cc1
CCCC(=O)Oc1ccc(cc1)C(=C(\C)c1ccccc1)\c1ccc(OCCN2CCCCC2)cc1
CN(C)CCOc1ccc(cc1)C(=C(\C)c1ccccc1)\c1ccc(OC(C)=O)cc1
CCCC(=O)Oc1ccc(cc1)C(=C(\C)c1ccccc1)\c1ccc(OCCN(C)C)cc1
CCCCCCCCCC(=O)Oc1ccc(cc1)C(=C(\C)c1ccccc1)\c1ccc(OCCN(C)C)cc1
CC(=O)Oc1ccc(cc1)C(=C(\C)c1ccccc1)\c1ccc(OCCN2CCCC2)cc1
CCCC(=O)Oc1ccc(cc1)C(=C(\C)c1ccccc1)\c1ccc(OCCN2CCCC2)cc1
CCCCCCCCCC(=O)Oc1ccc(cc1)C(=C(\C)c1ccccc1)\c1ccc(OCCN2CCCC2)cc1
CN(C)CCOc1ccc(cc1)C(=C(/C)c1ccccc1)\c1ccc(O)cc1
C\C(=C(\c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1
C[N+]1([O-])CCC2(CC1)C(=O)Nc1cc(\C=C3/c4ccccc4COc4cc(F)ccc34)ccc21 |(-8.11,-5.82,;-7.33,-6.77,;-7.71,-7.95,;-6.31,-7.93,;-4.8,-7.72,;-4.32,-6.26,;-5.33,-5.09,;-6.81,-5.34,;-3.66,-7.61,;-4.28,-8.67,;-2.15,-7.51,;-1.85,-6.02,;-.49,-5.27,;-.46,-3.7,;.88,-2.95,;.89,-1.41,;-.48,-.72,;-1.65,-1.74,;-3.13,-1.26,;-3.43,.19,;-2.28,1.22,;-.82,.76,;.17,2,;1.73,1.96,;2.65,.75,;4.13,1.16,;5.24,.07,;6.42,.4,;4.89,-1.36,;3.39,-1.84,;2.28,-.76,;-1.82,-2.91,;-3.2,-3.7,;-3.18,-5.26,)|
OC(=O)CCN1CCC2(CC1)C(=O)Nc1cc(\C=C3/c4ccccc4COc4cc(F)ccc34)ccc21
CN(C)CC(=O)N1CCC2(CC1)C(=O)Nc1cc(\C=C3/c4ccccc4COc4cc(F)ccc34)ccc21
CC1(C)OC(=S)Nc2ccc(cc12)S(=O)(=O)N1c2ccccc2COc2cc(F)ccc12
[H][C@]12C[C@H](CN1CCOC2)n1c2ccc(\C=C3/c4ccccc4COc4cc(F)ccc34)cc2[nH]c1=O |r|
[#6]-[#6](-[#6])-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
[#8]-c1ccc(cc1)-[#6](=[#7]\[#8]-[#6]-[#6]-[#6]-[#6]=[#6])\c1ccc(-[#8])cc1
[#6]-[#6]-[#6]-[#6]-[#8]\[#7]=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
CCCCCCNCCOc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
CCCCCCCCNCCOc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
CCCCCCCCCCNCCOc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
CCCCCCCCCCCCNCCOc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
CCCCCCCCCCCCCCNCCOc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
CCCCCCCCCCCCCCCCNCCOc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
CCCCCCCCCCCCCCCCCCNCCOc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
CCc1ccc-2c(c1)C(Cc1cc(O)cc(C)c-21)c1ccc(OCCN2CCOCC2)cc1
CNCCCCCCCCCCCCn1c(c(C)c2cc(O)ccc12)-c1ccc(O)cc1
Cc1c(-c2ccc(O)cc2)n(CCCCn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)c2ccc(O)cc12
COc1ccc(\C=C(\C(=O)N(C)CCCCCCCCCCCCn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)c2cc(OC)c(OC)c(OC)c2)cc1O
COc1ccc-2c(c1)C(=O)c1c-2n(-c2ccc(OCCCN3CCN(C)CC3)cc2)c(=O)c2cc(OC)ccc12
COc1ccc-2c(c1)C(=O)c1c-2n(-c2ccc(OCCCN3CCOCC3)cc2)c(=O)c2cc(OC)ccc12
COc1ccc-2c(c1)C(=O)c1c-2n(-c2ccc(OCCCN3CCCCC3)cc2)c(=O)c2cc(OC)ccc12
COc1ccc-2c(c1)C(=O)c1c-2n(-c2ccc(OCCCN3CCCC3)cc2)c(=O)c2cc(OC)ccc12
CCN(CC)CCCOc1ccc(cc1)-n1c2-c3ccc(OC)cc3C(=O)c2c2ccc(OC)cc2c1=O
COc1ccc-2c(c1)C(=O)c1c-2n(-c2ccc(OCCCN(C)C)cc2)c(=O)c2cc(OC)ccc12
COc1ccc-2c(c1)C(=O)c1c-2n(-c2ccc(OCCN3CCN(C)CC3)cc2)c(=O)c2cc(OC)ccc12
COc1ccc-2c(c1)C(=O)c1c-2n(-c2ccc(OCCN3CCOCC3)cc2)c(=O)c2cc(OC)ccc12
COc1ccc-2c(c1)C(=O)c1c-2n(-c2ccc(OCCN3CCCCC3)cc2)c(=O)c2cc(OC)ccc12
COc1ccc-2c(c1)C(=O)c1c-2n(-c2ccc(OCCN3CCCC3)cc2)c(=O)c2cc(OC)ccc12
CCN(CC)CCOc1ccc(cc1)-n1c2-c3ccc(OC)cc3C(=O)c2c2ccc(OC)cc2c1=O
COc1ccc-2c(c1)C(=O)c1c-2n(-c2ccc(OCCN(C)C)cc2)c(=O)c2cc(OC)ccc12
CN1CCN(CCOc2ccc(cc2)-n2c3-c4ccc(O)cc4C(=O)c3c3ccc(O)cc3c2=O)CC1
Oc1ccc-2c(c1)C(=O)c1c-2n(-c2ccc(OCCN3CCOCC3)cc2)c(=O)c2cc(O)ccc12
Oc1ccc-2c(c1)C(=O)c1c-2n(-c2ccc(OCCN3CCCCC3)cc2)c(=O)c2cc(O)ccc12
Oc1ccc-2c(c1)C(=O)c1c-2n(-c2ccc(OCCN3CCCC3)cc2)c(=O)c2cc(O)ccc12
CCN(CC)CCOc1ccc(cc1)-n1c2-c3ccc(O)cc3C(=O)c2c2ccc(O)cc2c1=O
CN(C)CCOc1ccc(cc1)-n1c2-c3ccc(O)cc3C(=O)c2c2ccc(O)cc2c1=O
CN(C)CCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(Br)cc1
CCN(CC)CCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CN(C)CCOc1ccc(cc1)C(=C(CCCF)c1ccccc1)c1ccc(O)cc1
CN(C)CCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(C)cc1
CNCCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CN(C)CCOc1ccc(cc1)C(=C(CCC(F)F)c1ccccc1)c1ccc(O)cc1
CN(C)CCCOc1ccc(cc1)C(=C(CCCO)c1ccccc1)c1ccc(O)cc1
CCC(=C(c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
CC(=C(c1ccc(N)cc1)c1ccc(NCC(N)=O)cc1)c1ccc(cc1)[N+]([O-])=O
CCC(=C(c1ccc(N)cc1)c1ccc(NCC(N)=O)cc1)c1ccc(cc1)[N+]([O-])=O
[#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccc(-[#7])cc1
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
[#6]-[#6]\[#6](=[#6](\c1ccc(-[#7])cc1)-c1ccc(-[#7])cc1)-c1ccc(cc1)-[#7+](-[#8-])=O
[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccc(-[#7])cc1
[#6]\[#6](=[#6](\c1ccc(-[#7])cc1)-c1ccc(-[#7])cc1)-c1ccc(cc1)-[#7+](-[#8-])=O
N#C[#6](=[#6](c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)cc1)-c1ccccc1
CN(C)CCOc1ccc(cc1)C(=C(C#N)c1ccccc1)c1ccccc1
N#C/C(=C(c1ccccc1)/c3ccc(OCCN2CCOCC2)cc3)c4ccccc4
[#6]-[#7](-[#6])-[#6]-[#6]-[#8]-c1ccc(cc1)-[#6](=[#6](/C#N)-c1cccs1)\c1ccc(-[#8]-[#6]-[#6]-[#7](-[#6])-[#6])cc1
N#CC(=C(/c1ccccc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1
[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-c2ccc(cc2)-[#6](=[#6](C#N)-c2ccccc2)c2ccc(-[#8]-[#6]-[#6]-[#7]-3-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-3)cc2)-[#6]-[#6]-1
FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2ccccc2c1 |r|
C[C@H](NC(=O)CO)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc(cc1)S(C)(=O)=O |r|
C[C@H](NS(=O)(=O)C1CC1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc(cc1)S(C)(=O)=O |r|
CSc1ccc(cc1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NS(=O)(=O)C1CC1 |r|
C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r|
COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C1CC1 |r|
C[C@H](NS(=O)(=O)C1CC1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r|
CCC(=C(c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1)B(O)O)c1ccccc1
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)CN1CC[S+]([O-])CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)CN1CCSCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Cc1cccc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Cc1cc(Cl)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Cc1cc(F)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Cc1ccc(C(=O)c2sc3cc(O)ccc3c2Oc2ccc(\C=C\C(O)=O)cc2)c(C)c1
CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(\C=C\C(=O)NCC(F)F)cc1
CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(CCC(O)=O)cc1
CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(\C=C\C(O)=O)cc1
CC(C)(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
Cc1ccc(cc1F)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
CCCCc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
CC1(N(CCc2cc(O)ccc12)c1ccc(cc1)C1CC1)c1ccc(\C=C\C(O)=O)cc1
CC1(N(CCc2cc(O)ccc12)c1ccc(cc1)C1CCC1)c1ccc(\C=C\C(O)=O)cc1
CC(C)Cc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
CC(C)c1cccc(c1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
CC(C)c1ccccc1N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(\C=C\C(O)=O)cc1
CCCc1nnc(\C=C\c2ccc(cc2)C2(C)N(CCc3cc(O)ccc23)c2ccc(F)cc2)o1
Cc1nnc(\C=C\c2ccc(cc2)C2(C)N(CCc3cc(O)ccc23)c2ccc(F)cc2)o1
Cn1nnc(\C=C\c2ccc(cc2)C2(C)N(CCc3cc(O)ccc23)c2ccc(F)cc2)n1
CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(\C=C\c2nn[nH]n2)cc1
Cn1cncc1\C=C\c1ccc(cc1)C1(C)N(CCc2cc(O)ccc12)c1ccc(F)cc1
CC1(N(CCc2cc(O)ccc12)c1ccc(cc1)C(F)(F)F)c1ccc(\C=C\C(O)=O)cc1
CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(\C=C\C(=O)NCCC(F)(F)F)cc1
CC1(N(CCc2cc(O)ccc12)c1ccc(CC(F)(F)F)cc1)c1ccc(\C=C\C(O)=O)cc1
CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(\C=C\c2cnc[nH]2)cc1
CC(C)c1ccc(cn1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
CC(C)c1ccc(cc1F)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
CC(C)c1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(\C=C\C(O)=O)cc2)c(F)c1
CC(C)Cc1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(\C=C\C(O)=O)cc2)c(F)c1
CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2[C@]1(c1ccc(\C=C\C(O)=O)cc1)C(F)(F)F |r|
CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2[C@@]1(c1ccc(\C=C\C(O)=O)cc1)C(F)(F)F |r|
CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C(F)F)c1ccc(\C=C\C(O)=O)cc1
CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2[C@]1(C(F)F)c1ccc(\C=C\C(O)=O)cc1 |r|
CC(C)c1ccc(cc1)N2CCc3cc(ccc3[C@@]2(C)c4ccc(cc4)/C=C/C(=O)O)O
CCCCCc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
CCC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
CNC(=O)\C=C\c1ccc(cc1)C1(C)N(CCc2cc(O)ccc12)c1ccc(F)cc1
Cc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(\C=C\C(O)=O)cc1
CC1(N(CCc2cc(O)ccc12)c1ccc(CC2CC2)cc1)c1ccc(\C=C\C(O)=O)cc1
CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(c1ccc(\C=C\C(O)=O)cc1)C(F)(F)F
CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2[C@@]1(C(F)F)c1ccc(\C=C\C(O)=O)cc1 |r|
CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2[C@]1(C)c1ccc(\C=C\C(O)=O)cc1 |r|
CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(\C=C\c2nnc(CO)o2)cc1
CC1(N(CCc2cc(O)ccc12)c1cccc(F)c1)c1ccc(\C=C\C(O)=O)cc1
Cn1nnnc1\C=C\c1ccc(cc1)C1(C)N(CCc2cc(O)ccc12)c1ccc(F)cc1
Cn1cnc(\C=C\c2ccc(cc2)C2(C)N(CCc3cc(O)ccc23)c2ccc(F)cc2)c1
CCCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:16:17:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.26:17,24:22:19:26.25.17,24:25:19:23.21.22,(49.38,-23.42,;50.72,-22.66,;52.05,-23.43,;53.39,-22.67,;54.72,-23.44,;56.05,-22.68,;57.38,-23.45,;57.38,-24.99,;58.73,-22.68,;60.06,-23.45,;61.39,-22.68,;61.39,-21.14,;62.72,-20.37,;64.06,-21.13,;64.06,-22.68,;62.73,-23.46,;65.39,-20.36,;66.73,-21.12,;66.73,-22.62,;65.54,-23.88,;67.03,-23.47,;68.44,-24.03,;69.45,-22.75,;68.05,-23.1,;69.47,-21.22,;68.07,-20.65,;67.03,-21.88,;65.38,-18.82,;66.72,-18.05,;66.71,-16.51,;65.38,-15.75,;65.37,-14.21,;64.04,-16.53,;64.05,-18.07,)|
CCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,(51.08,-9.16,;52.42,-9.94,;53.75,-9.17,;55.08,-9.95,;56.42,-9.18,;57.75,-9.96,;57.74,-11.5,;59.09,-9.19,;60.42,-9.96,;61.76,-9.19,;61.76,-7.65,;63.09,-6.88,;64.42,-7.64,;64.43,-9.19,;63.09,-9.96,;65.76,-6.86,;67.09,-7.63,;67.1,-9.12,;65.9,-10.39,;67.4,-9.98,;68.81,-10.53,;69.82,-9.26,;68.42,-9.6,;69.84,-7.73,;68.43,-7.16,;67.39,-8.39,;65.75,-5.32,;67.08,-4.56,;67.08,-3.02,;65.74,-2.25,;65.73,-.71,;64.41,-3.04,;64.42,-4.57,)|
NC(=O)C=Cc1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:11:12:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.21:12,19:17:14:21.20.12,19:20:14:18.16.17|
CCCNS(=O)(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,(27.89,-11.31,;29.23,-10.54,;30.56,-11.31,;31.89,-10.54,;33.22,-11.31,;33.98,-12.64,;32.45,-12.63,;34.56,-10.54,;35.89,-11.31,;37.23,-10.54,;37.23,-9,;38.56,-8.23,;39.89,-8.99,;39.9,-10.54,;38.56,-11.31,;41.23,-8.22,;42.56,-8.98,;42.57,-10.47,;41.37,-11.74,;42.87,-11.33,;44.28,-11.89,;45.29,-10.61,;43.89,-10.96,;45.31,-9.08,;43.9,-8.51,;42.86,-9.74,;41.22,-6.68,;42.55,-5.91,;42.55,-4.37,;41.21,-3.61,;41.2,-2.07,;39.88,-4.39,;39.89,-5.93,)|
OCCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:16:17:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.26:17,24:22:19:26.25.17,24:25:19:23.21.22,(2.78,-26.63,;4.11,-25.87,;5.45,-26.64,;6.78,-25.88,;8.11,-26.65,;9.45,-25.89,;10.78,-26.66,;10.77,-28.2,;12.12,-25.89,;13.45,-26.67,;14.79,-25.9,;14.79,-24.35,;16.12,-23.58,;17.45,-24.35,;17.46,-25.9,;16.12,-26.67,;18.79,-23.57,;20.12,-24.34,;20.13,-25.83,;18.93,-27.1,;20.43,-26.68,;21.84,-27.24,;22.85,-25.96,;21.45,-26.31,;22.87,-24.44,;21.46,-23.86,;20.42,-25.09,;18.78,-22.03,;20.11,-21.26,;20.11,-19.73,;18.77,-18.96,;18.76,-17.42,;17.44,-19.74,;17.45,-21.28,)|
CN(CCO)C(=O)C=Cc1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21|
OCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,(3.37,-11.66,;4.7,-12.43,;6.04,-11.67,;7.37,-12.44,;8.7,-11.68,;10.03,-12.45,;10.03,-13.99,;11.37,-11.68,;12.71,-12.46,;14.04,-11.69,;14.04,-10.14,;15.37,-9.37,;16.71,-10.14,;16.71,-11.69,;15.38,-12.46,;18.04,-9.36,;19.38,-10.13,;19.38,-11.62,;18.19,-12.89,;19.68,-12.47,;21.09,-13.03,;22.1,-11.75,;20.7,-12.1,;22.12,-10.23,;20.71,-9.65,;19.68,-10.88,;18.03,-7.82,;19.37,-7.05,;19.36,-5.52,;18.02,-4.75,;18.02,-3.21,;16.69,-5.53,;16.7,-7.07,)|
NCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:14:15:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.24:15,22:20:17:24.23.15,22:23:17:21.19.20,(28.05,-10.91,;29.38,-10.14,;30.71,-10.92,;32.05,-10.15,;33.38,-10.93,;33.38,-12.47,;34.72,-10.16,;36.06,-10.93,;37.39,-10.16,;37.39,-8.62,;38.72,-7.85,;40.06,-8.61,;40.06,-10.16,;38.72,-10.93,;41.39,-7.84,;42.72,-8.6,;42.73,-10.09,;41.54,-11.36,;43.03,-10.95,;44.44,-11.51,;45.45,-10.23,;44.05,-10.58,;45.47,-8.7,;44.06,-8.13,;43.02,-9.36,;41.38,-6.3,;42.72,-5.53,;42.71,-3.99,;41.37,-3.22,;41.37,-1.68,;40.04,-4.01,;40.05,-5.54,)|
OCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:14:15:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.24:15,22:20:17:24.23.15,22:23:17:21.19.20,(52.34,-39.29,;53.68,-38.52,;55.01,-39.3,;56.35,-38.53,;57.68,-39.31,;57.67,-40.85,;59.02,-38.54,;60.35,-39.31,;61.69,-38.54,;61.69,-37,;63.02,-36.23,;64.35,-36.99,;64.36,-38.54,;63.02,-39.31,;65.69,-36.22,;67.02,-36.98,;67.03,-38.47,;65.83,-39.74,;67.33,-39.33,;68.74,-39.89,;69.75,-38.61,;68.35,-38.96,;69.76,-37.08,;68.36,-36.51,;67.32,-37.74,;65.68,-34.68,;67.01,-33.91,;67.01,-32.37,;65.67,-31.61,;65.66,-30.07,;64.34,-32.39,;64.35,-33.93,)|
OCCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,(3.61,-12.53,;4.95,-13.3,;6.28,-12.54,;7.61,-13.31,;8.95,-12.54,;10.28,-13.31,;10.28,-14.85,;11.62,-12.54,;12.95,-13.31,;14.28,-12.54,;14.29,-11,;15.61,-10.23,;16.95,-10.99,;16.95,-12.54,;15.62,-13.31,;18.28,-10.22,;19.62,-10.98,;19.62,-12.47,;18.43,-13.74,;19.92,-13.33,;21.33,-13.89,;22.34,-12.61,;20.95,-12.96,;22.36,-11.08,;20.96,-10.51,;19.92,-11.74,;18.27,-8.68,;19.61,-7.91,;19.6,-6.37,;18.27,-5.6,;18.26,-4.06,;16.93,-6.39,;16.94,-7.92,)|
CCCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,(43.4,-9.83,;44.73,-10.6,;46.06,-9.83,;47.4,-10.6,;48.73,-9.83,;50.06,-10.6,;50.06,-12.14,;51.4,-9.83,;52.73,-10.6,;54.07,-9.84,;54.07,-8.29,;55.4,-7.52,;56.73,-8.28,;56.74,-9.83,;55.4,-10.61,;58.06,-7.51,;59.4,-8.27,;59.41,-9.77,;58.21,-11.04,;59.71,-10.62,;61.12,-11.18,;62.12,-9.9,;60.73,-10.25,;62.14,-8.37,;60.74,-7.8,;59.7,-9.03,;58.06,-5.97,;59.39,-5.2,;59.39,-3.66,;58.05,-2.9,;58.04,-1.36,;56.71,-3.68,;56.73,-5.22,)|
Oc1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(\C=C\C(=O)NCC(F)(F)F)cc1 |TLB:7:8:10:14.12.13,THB:12:11:8:14.13.15,12:13:10.11.17:8,15:13:10:17.16.8,15:16:10:14.12.13,(63.74,-14.98,;63.75,-16.52,;65.09,-17.29,;65.09,-18.83,;63.76,-19.6,;62.43,-18.84,;62.41,-17.31,;63.76,-21.14,;65.1,-21.9,;65.11,-23.39,;63.91,-24.66,;65.41,-24.25,;66.82,-24.81,;67.83,-23.53,;66.43,-23.88,;67.84,-22,;66.44,-21.43,;65.4,-22.66,;62.43,-21.91,;61.1,-21.15,;59.77,-21.92,;59.77,-23.46,;58.43,-24.23,;57.1,-23.46,;55.76,-24.23,;55.75,-25.77,;54.43,-23.45,;53.09,-24.22,;51.76,-23.44,;51.77,-21.9,;50.42,-24.21,;50.42,-22.67,;61.1,-24.23,;62.44,-23.46,)|
NCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,(26.16,-25.06,;27.49,-25.83,;28.82,-25.07,;30.15,-25.84,;31.49,-25.08,;32.82,-25.85,;32.82,-27.39,;34.16,-25.09,;35.5,-25.86,;36.83,-25.09,;36.83,-23.54,;38.16,-22.77,;39.5,-23.54,;39.5,-25.09,;38.16,-25.86,;40.83,-22.76,;42.16,-23.53,;42.17,-25.02,;40.98,-26.29,;42.47,-25.87,;43.88,-26.43,;44.89,-25.16,;43.49,-25.5,;44.91,-23.63,;43.5,-23.06,;42.46,-24.28,;40.82,-21.22,;42.16,-20.46,;42.15,-18.92,;40.81,-18.15,;40.81,-16.61,;39.48,-18.93,;39.49,-20.47,)|
CC(C)CCCCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:19:20:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.29:20,27:25:22:29.28.20,27:28:22:26.24.25,(41.54,-24.01,;42.88,-23.24,;42.88,-21.7,;44.21,-24.01,;45.54,-23.24,;46.88,-24.01,;48.21,-23.25,;49.54,-24.02,;50.88,-23.25,;52.21,-24.02,;52.21,-25.56,;53.55,-23.25,;54.88,-24.02,;56.21,-23.25,;56.21,-21.71,;57.54,-20.94,;58.88,-21.7,;58.88,-23.25,;57.55,-24.02,;60.21,-20.93,;61.55,-21.69,;61.55,-23.18,;60.36,-24.45,;61.85,-24.04,;63.26,-24.6,;64.27,-23.32,;62.87,-23.67,;64.29,-21.79,;62.89,-21.22,;61.85,-22.45,;60.2,-19.39,;61.54,-18.62,;61.53,-17.08,;60.2,-16.31,;60.19,-14.77,;58.86,-17.1,;58.87,-18.63,)|
CCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:14:15:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.24:15,22:20:17:24.23.15,22:23:17:21.19.20,(26.38,-40.99,;27.71,-40.23,;29.04,-41,;30.38,-40.24,;31.71,-41.01,;31.7,-42.55,;33.05,-40.24,;34.38,-41.02,;35.72,-40.25,;35.72,-38.7,;37.05,-37.93,;38.38,-38.7,;38.39,-40.25,;37.05,-41.02,;39.72,-37.92,;41.05,-38.69,;41.06,-40.18,;39.86,-41.45,;41.36,-41.03,;42.77,-41.59,;43.78,-40.31,;42.38,-40.66,;43.8,-38.79,;42.39,-38.21,;41.35,-39.44,;39.71,-36.38,;41.04,-35.61,;41.04,-34.08,;39.7,-33.31,;39.69,-31.77,;38.37,-34.09,;38.38,-35.63,)|
COC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:12:13:15:19.17.18,THB:17:16:13:19.18.20,17:18:15.16.22:13,20:18:15:22.21.13,20:21:15:19.17.18,(24.09,-23.74,;25.42,-22.97,;26.76,-23.74,;26.75,-25.28,;28.09,-22.97,;29.42,-23.74,;30.76,-22.97,;30.76,-21.43,;32.09,-20.66,;33.42,-21.42,;33.43,-22.97,;32.09,-23.74,;34.76,-20.65,;36.09,-21.41,;36.1,-22.9,;34.9,-24.17,;36.4,-23.76,;37.81,-24.32,;38.82,-23.04,;37.42,-23.39,;38.84,-21.51,;37.43,-20.94,;36.39,-22.17,;34.75,-19.11,;36.08,-18.34,;36.08,-16.8,;34.74,-16.04,;34.73,-14.5,;33.41,-16.82,;33.42,-18.36,)|
CCCCN(C)C(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:16:17:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.26:17,24:22:19:26.25.17,24:25:19:23.21.22,(50.49,-39.11,;51.82,-39.89,;53.15,-39.12,;54.48,-39.9,;55.82,-39.13,;55.83,-37.59,;57.15,-39.91,;57.15,-41.45,;58.49,-39.14,;59.83,-39.91,;61.16,-39.14,;61.16,-37.6,;62.49,-36.83,;63.83,-37.59,;63.83,-39.14,;62.49,-39.91,;65.16,-36.82,;66.49,-37.58,;66.5,-39.07,;65.3,-40.34,;66.8,-39.93,;68.21,-40.49,;69.22,-39.21,;67.82,-39.56,;69.24,-37.68,;67.83,-37.11,;66.79,-38.34,;65.15,-35.28,;66.48,-34.51,;66.48,-32.97,;65.14,-32.2,;65.13,-30.66,;63.81,-32.99,;63.82,-34.52,)|
NCCCCNC(=O)C=Cc1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:16:17:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.26:17,24:22:19:26.25.17,24:25:19:23.21.22|
OCCCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:16:17:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.26:17,24:22:19:26.25.17,24:25:19:23.21.22,(2.92,-25.43,;4.26,-24.66,;5.59,-25.43,;6.93,-24.66,;8.26,-25.43,;9.59,-24.66,;10.93,-25.43,;10.93,-26.97,;12.26,-24.67,;13.59,-25.44,;14.93,-24.67,;14.93,-23.12,;16.26,-22.35,;17.59,-23.12,;17.6,-24.67,;16.26,-25.44,;18.93,-22.34,;20.26,-23.11,;20.27,-24.6,;19.07,-25.87,;20.57,-25.46,;21.98,-26.01,;22.99,-24.74,;21.59,-25.08,;23.01,-23.21,;21.6,-22.64,;20.56,-23.86,;18.92,-20.8,;20.25,-20.04,;20.25,-18.5,;18.91,-17.73,;18.9,-16.19,;17.58,-18.51,;17.59,-20.05,)|
OC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:11:12:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.21:12,19:17:14:21.20.12,19:20:14:18.16.17,(2.75,-38.67,;4.08,-39.44,;4.08,-40.98,;5.42,-38.67,;6.75,-39.45,;8.08,-38.68,;8.09,-37.13,;9.42,-36.36,;10.75,-37.13,;10.76,-38.68,;9.42,-39.45,;12.08,-36.35,;13.42,-37.11,;13.43,-38.61,;12.23,-39.88,;13.72,-39.46,;15.14,-40.02,;16.14,-38.74,;14.75,-39.09,;16.16,-37.22,;14.76,-36.64,;13.72,-37.87,;12.08,-34.81,;13.41,-34.04,;13.4,-32.51,;12.07,-31.74,;12.06,-30.2,;10.73,-32.52,;10.74,-34.06,)|
OCCN(CCO)C(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:17:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(4,-23.69,;5.34,-22.92,;6.67,-23.7,;8,-22.93,;8.01,-21.39,;6.68,-20.62,;6.68,-19.08,;9.33,-23.71,;9.33,-25.25,;10.67,-22.94,;12.01,-23.71,;13.34,-22.94,;13.34,-21.4,;14.67,-20.63,;16.01,-21.39,;16.01,-22.94,;14.68,-23.71,;17.34,-20.61,;18.68,-21.38,;18.68,-22.87,;17.49,-24.14,;18.98,-23.73,;20.39,-24.29,;21.4,-23.01,;20,-23.35,;21.42,-21.48,;20.01,-20.91,;18.98,-22.14,;17.33,-19.07,;18.67,-18.31,;18.66,-16.77,;17.32,-16,;17.32,-14.46,;15.99,-16.79,;16,-18.32,)|
CN(C)CCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:16:17:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.26:17,24:22:19:26.25.17,24:25:19:23.21.22,(51.58,-12.21,;51.58,-10.67,;50.25,-9.9,;52.92,-9.91,;54.25,-10.68,;55.59,-9.92,;56.92,-10.69,;56.91,-12.23,;58.26,-9.93,;59.59,-10.7,;60.93,-9.93,;60.93,-8.38,;62.26,-7.61,;63.59,-8.38,;63.6,-9.93,;62.26,-10.7,;64.92,-7.6,;66.26,-8.37,;66.27,-9.86,;65.07,-11.13,;66.57,-10.72,;67.98,-11.27,;68.98,-10,;67.59,-10.34,;69,-8.47,;67.6,-7.9,;66.56,-9.12,;64.92,-6.06,;66.25,-5.3,;66.25,-3.76,;64.91,-2.99,;64.9,-1.45,;63.57,-3.77,;63.59,-5.31,)|
Oc1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(C=CC#N)cc1 |TLB:7:8:10:14.12.13,THB:12:11:8:14.13.15,12:13:10.11.17:8,15:13:10:17.16.8,15:16:10:14.12.13|
OCCCCCNC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:17:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(2.2,-41.25,;3.53,-42.02,;4.87,-41.26,;6.2,-42.03,;7.54,-41.27,;8.87,-42.04,;10.2,-41.28,;11.53,-42.05,;11.53,-43.59,;12.88,-41.29,;14.21,-42.06,;15.54,-41.29,;15.55,-39.74,;16.87,-38.97,;18.21,-39.74,;18.21,-41.29,;16.88,-42.06,;19.54,-38.96,;20.88,-39.73,;20.88,-41.22,;19.69,-42.49,;21.18,-42.08,;22.59,-42.63,;23.6,-41.36,;22.21,-41.7,;23.62,-39.83,;22.22,-39.26,;21.18,-40.48,;19.53,-37.42,;20.87,-36.66,;20.86,-35.12,;19.53,-34.35,;19.52,-32.81,;18.19,-35.13,;18.2,-36.67,)|
CCCCCC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,(20.65,-10.04,;21.99,-10.82,;23.32,-10.05,;24.66,-10.82,;25.99,-10.05,;27.32,-10.82,;27.32,-12.36,;28.66,-10.05,;29.99,-10.82,;31.32,-10.05,;31.33,-8.51,;32.65,-7.74,;33.99,-8.5,;34,-10.05,;32.66,-10.82,;35.32,-7.73,;36.66,-8.49,;36.67,-9.98,;35.47,-11.25,;36.96,-10.84,;38.38,-11.4,;39.38,-10.12,;37.99,-10.47,;39.4,-8.59,;38,-8.02,;36.96,-9.25,;35.32,-6.19,;36.65,-5.42,;36.64,-3.88,;35.31,-3.12,;35.3,-1.58,;33.97,-3.9,;33.98,-5.44,)|
CCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:13:14:16:20.18.19,THB:18:17:14:20.19.21,18:19:16.17.23:14,21:19:16:23.22.14,21:22:16:20.18.19,(22.69,-38.82,;24.03,-39.59,;25.36,-38.82,;26.69,-39.59,;26.69,-41.13,;28.03,-38.82,;29.36,-39.59,;30.7,-38.83,;30.7,-37.28,;32.03,-36.51,;33.36,-37.27,;33.37,-38.82,;32.03,-39.6,;34.69,-36.5,;36.03,-37.26,;36.04,-38.76,;34.84,-40.03,;36.33,-39.61,;37.75,-40.17,;38.75,-38.89,;37.36,-39.24,;38.77,-37.36,;37.37,-36.79,;36.33,-38.02,;34.69,-34.96,;36.02,-34.19,;36.02,-32.65,;34.68,-31.89,;34.67,-30.35,;33.34,-32.67,;33.36,-34.21,)|
OCCOC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:14:15:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.24:15,22:20:17:24.23.15,22:23:17:21.19.20,(47.7,-37.95,;49.03,-37.19,;50.36,-37.96,;51.7,-37.19,;53.03,-37.96,;53.03,-39.5,;54.36,-37.19,;55.7,-37.96,;57.03,-37.19,;57.03,-35.65,;58.36,-34.88,;59.7,-35.64,;59.7,-37.19,;58.37,-37.96,;61.03,-34.87,;62.37,-35.63,;62.37,-37.12,;61.18,-38.39,;62.67,-37.98,;64.08,-38.54,;65.09,-37.26,;63.69,-37.61,;65.11,-35.73,;63.71,-35.16,;62.67,-36.39,;61.02,-33.33,;62.36,-32.56,;62.35,-31.02,;61.01,-30.25,;61.01,-28.71,;59.68,-31.04,;59.69,-32.57,)|