988 SMILES Strings for NAD-dependent protein deacetylase sirtuin-1

Compound Name
SMILES String
Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1
Oc1ccc2ccccc2c1Cc1c([nH]c(=O)[nH]c1=O)-c1ccccc1
Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc(Br)cc1
COc1ccc(cc1)-c1[nH]c(=S)[nH]c(=O)c1Cc1c(O)ccc2ccccc12
Oc1ccc(cc1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1)-c1ccccc1
Cc1ccccc1-c1[nH]c(=S)[nH]c(=O)c1Cc1c(O)ccc2ccccc12
Cc1cccc(c1)-c1[nH]c(=S)[nH]c(=O)c1Cc1c(O)ccc2ccccc12
Cc1ccc(cc1)-c1[nH]c(=S)[nH]c(=O)c1Cc1c(O)ccc2ccccc12
Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc(Cl)cc1
Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc(I)cc1
Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc(cc1)C(F)(F)F
Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1Br
Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1cccc(Br)c1
Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1cccc(Cl)c1
Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1F
Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1cccc(F)c1
Cn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]c1=S
CCn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]c1=S
Oc1ccc2ccccc2c1Cc1c(-c2ccccc2)n(CC=C)c(=S)[nH]c1=O
CCCn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]c1=S
CCCCn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]c1=S
CN(C)CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
CC(C)(C)c1ccc(cc1)C(=O)NC(=S)Nc2ccc(cc2)NC(=O)CCCCN(C)C
CN(C)CCCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
CN(C)CCCCCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
CN(C)CCOCCOCCOCCOCCOCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
CN(C)CCCCC(=O)Nc1ccc(NC(=O)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
Oc1cc(O)c2cc(oc2c1)-c1cc(O)c(O)c(O)c1
Oc1cc(O)c2cc(oc2c1)-c1cc(F)cc(F)c1
Oc1ccc(cc1)-c1coc2cc(O)cc(O)c12
Oc1cc(O)c2c(coc2c1)-c1cc(F)cc(F)c1
Oc1cc(O)c2c(coc2c1)-c1ccc(F)cc1
Oc1cc(O)c2c(c(Br)oc2c1)-c1cc(F)cc(F)c1
NC(=O)c1ccc2NC(C3C4CCC(C4)C3c2c1)c1ccccc1
O=C(NCc1cccnc1)c1ccc2NC(C3C4CCC(C4)C3c2c1)c1ccccc1
CC(=S)NCCCCC(NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1
CCCC(=S)NCCCCC(NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1
CCCCCCC(=S)NCCCCC(NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1
CCCCCCCCCCCCCC(=S)NCCCCC(NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1
CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1
CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc(Br)c2)cc1
CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1
CC(C)c1ccc(cc1)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C)c(Br)c2)cc1
COc1ccc(cc1C(F)(F)F)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1
CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cc(F)c(F)c(F)c2)cc1
COc1c(Cl)cc(cc1Cl)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(c(Br)c2)C(C)(C)C)cc1
COc1c(Br)cc(cc1Br)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
CCCCOc1c(Cl)cc(cc1Cl)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
CCOc1c(Cl)cc(cc1Cl)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
Cc1cc(C)nc(SCC(=O)Nc2cccc(COc3ccc(NC(=O)c4cccs4)cc3)c2)n1
NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
ONC(=O)c1ccc(CNc2cccc3cccnc23)cc1
ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1
c1ccc(cc1)N(c2ccccc2)c3ncc(cn3)C(=O)NCCCCCCC(=O)NO
CCOC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1
CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(Cl)c3)c2c1
CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1
CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)[N+]([O-])=O)c2c1
CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3ccc(cc3)C#N)c2c1
COC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1
CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|
CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
CC1(C)CC(NC(=S)Nc2ccc(cc2)[N+]([O-])=O)c2cc(Cl)ccc2O1
CC(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r|
CCCCCCCCNC(=O)CCCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O |r|
CCCCCCCCCCNC(=O)CCCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O |r|
CCCCCCCCCCCCCNC(=O)CCCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O |r|
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(O)=O |r|
Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccc(cc3)NC(=O)c4cnn(c4)C)C
OC(=O)c1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1O
OC(=O)c1cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1O
OC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1O
OC(=O)c1cc(O)ccc1NC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
c1cc(cnc1)C(=O)N
O=C1N(CCCNCCCCCCCCCNCCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23
CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 |r|
Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCc4cn(CCCCNC(=O)COc5cccc6C(=O)N(C7CCC(=O)NC7=O)C(=O)c56)nn4)c3)s2)n1
Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCC#C)c3)s2)n1
Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc4c3cccc4)C
Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccc(Cl)cc34)s2)n1
Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3)OCc4cn(nn4)Cc5ccccc5)C
Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3)OCc4cn(nn4)CCOC)C
Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCc4cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC5SCC6NC(=O)NC56)nn4)c3)s2)n1
Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3ccccc3)C
Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO
CC(Nc1c(NCCCCCC(=O)NO)c(=O)c1=O)C12CC3CC(CC(C3)C1)C2 |THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
CC(C)(CCCCC(=O)NO)Nc1c(Nc2ccc(cc2)C(F)(F)F)c(=O)c1=O
Cc1c(c2ccccc2[nH]1)CCNCc3ccc(cc3)/C=C/C(=O)NO
COc1ccc(Nc2c(NCCCCCC(=O)NO)c(=O)c2=O)cc1
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(cc1)\N=N\c1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)\N=N\c1ccc(cc1)N(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(cc1)\N=N\c1ccc(cc1)N(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(cc1)\N=N\c1ccc(cc1)N(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(cc1)\N=N\c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(cc1)\N=N\c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(=O)Cc1ccc(cc1)\N=N\c1ccccc1)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(cc1)\N=N\c1ccc(cc1)N(CC)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)Cc1ccc(cc1)\N=N\c1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(C)=O)[C@@H](C)O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)c1ccc(cc1)\N=N\c1ccc(cc1)N(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(C)=O)[C@@H](C)O)C(N)=O |r|
C[C@H](NC(=O)[C@H](CCCCNC(=O)Cc1ccc(cc1)\N=N\c1ccc(OCCc2ccccc2)cc1)NC(=O)OCc1ccccc1)C(N)=O |r|
CC(C(=O)Nc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
CC(=O)NC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(C)=O)C(N)=O |r|
CCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O |r|
CC(=O)NC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](Cc1csc2ccccc12)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r|
CC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CNC(C)=O)C(N)=O |r|
CC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CCCCNC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](Cc1csc2ccccc12)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CCc1ccccc1)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCc1ccccc1)NC(C)=O)C(N)=O |r|
CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CCCCNC(C)=O)C(N)=O |r|
CC(=O)NC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O |r|
CC(=O)NC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CNC(C)=O)NC(C)=O)C(N)=O |r|
CCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CCCCNC(C)=O)C(N)=O |r|
O=c1n(Cc2cccc3cccnc23)cnc2sc3CC(CCc3c12)NCc1ccc(cc1)C#N
COc1ccc(CNC2CCc3c(C2)sc2ncn(Cc4c(OC)ccc5ccccc45)c(=O)c32)cc1
COc1ccc2ccccc2c1Cn1cnc2sc3CC(CCc3c2c1=O)NCc1cccnc1
COc1ccc(Cn2cnc3sc4CC(CCc4c3c2=O)NCc2c(C)noc2C)c2ccccc12
COc1ccc(Cn2cnc3sc4CC(CCc4c3c2=O)NC2CCCC2)c2ccccc12
O=C(NCC(=S)NCCCC[C@@H]1NC(=O)CNC1=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1 |r|
C[C@H](NC(=O)c1nc(sc1C1CC1)-c1ncc(s1)-c1ccccc1)c1ccc(cc1)C(=O)NO |r|
CCCCCCCCCCCCNC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CCC(=O)NCC(=O)NCCCC[C@H](NC1=O)C(N)=O |r|
CCCCCCCCCCCCNC(=S)NCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CCC(=O)NCC(=O)NCCCC[C@H](NC1=O)C(N)=O |r|
CC(C)c1cc(C(=O)N(C)c2ccc(NC(=O)CCCCCCCC(=O)NO)cc2)c(O)cc1O
CC(C)c1cc(C(=O)N(C)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)c(O)cc1O
COc1cc2ccccc2cc1Cn1cnc2sc3CC(CCc3c2c1=O)NCc1cccnc1
NC(=O)C1CCC2C(C1)Nc1ccc(Cl)cc21
Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccc4ccccc4c3)s2)n1
Clc1ccc2sc3C(N4C(=O)CSC4=Nc3c2c1)c1ccc2ccccc2c1 |c:14|
CCCCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r|
CCCCCCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r|
CCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r|
CCCCCCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1 |r|
CCCCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1 |r|
CCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1 |r|
CCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1 |r|
CNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1 |r|
CCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r|
CCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1 |r|
CCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r|
Nc1c(c2nc3ccccc3nc2n1-c1ccc(F)cc1)S(=O)(=O)c1ccccc1
CCc1ccccc1-n1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc12 |(6.08,-32,;7.15,-33.1,;8.65,-32.73,;9.07,-31.25,;10.57,-30.87,;11.64,-31.98,;11.21,-33.45,;9.72,-33.83,;9.3,-35.31,;10.25,-36.51,;11.79,-36.46,;9.38,-37.79,;9.91,-39.24,;8.93,-40.42,;11.43,-39.5,;12.42,-38.33,;13.94,-38.59,;15.05,-37.51,;16.41,-38.24,;16.14,-39.76,;14.62,-39.97,;7.91,-37.37,;6.59,-38.19,;5.23,-37.46,;3.93,-38.27,;2.58,-37.55,;2.51,-36,;3.82,-35.2,;5.18,-35.92,;6.5,-35.11,;7.85,-35.83,)|
COCCCn1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc12
Cn1nc(-c2cnc3ccccc3c2)c2cc(NCc3cc(F)ccc3S(C)(=O)=O)ccc12
Cn1nc(C(=O)N[C@H]2CC[C@H](O)CC2)c2cc(NCc3cc(F)c(F)cc3S(C)(=O)=O)ccc12 |r,wU:10.10,wD:7.6,(11.17,-18.21,;11.57,-16.73,;10.66,-15.47,;11.57,-14.22,;11.17,-12.73,;12.26,-11.64,;9.69,-12.33,;8.59,-13.42,;7.1,-13.02,;6.02,-14.11,;6.41,-15.6,;5.33,-16.69,;7.9,-16,;8.99,-14.91,;13.04,-14.7,;14.37,-13.93,;15.7,-14.69,;17.03,-13.93,;18.37,-14.69,;19.71,-13.93,;21.05,-14.7,;22.37,-13.92,;23.7,-14.7,;22.37,-12.39,;23.7,-11.62,;21.03,-11.62,;19.71,-12.39,;18.37,-11.62,;18.37,-10.08,;16.83,-11.62,;17.6,-12.95,;15.7,-16.24,;14.38,-17.01,;13.04,-16.25,)|
NC(=O)c1ccccc1Nc1ccccc1
NC(=O)c1ccccc1Nc1ccc(OCc2ccccc2)cc1
O=C1NC(=S)NC(=O)C1=Cc1cc2ccccc2[nH]1 |(8.1,-1.07,;9.64,-1.07,;10.41,-2.41,;11.95,-2.41,;12.72,-3.74,;12.72,-1.07,;11.95,.26,;12.72,1.59,;10.41,.26,;9.64,1.59,;8.1,1.59,;7.2,.35,;5.75,.82,;4.41,.05,;3.08,.82,;3.08,2.36,;4.41,3.13,;5.75,2.36,;7.2,2.83,)|
Clc1cccc(-c2ccc(\C=C3/C(=O)NC(=S)N(CC=C)C3=O)o2)c1Cl
O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]/c1ccc(cc1)-c1ccccc1
CC1=CCC(=CC1=NC(=O)C1=CC=CC(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)N=C1CC(=CC=C1C)C(=O)N=C1/CC=C(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)N=C1/CC=C(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
Oc1c(Br)cc(\C=C2\C(=O)Nc3c2ccc(Cl)c3Cl)cc1Br
O=C1N(CCNCCCNCCCNCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23
C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O |r|
Nc1cc(cc(c1)C(=O)Nc1cccc(c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)Nc1cccc(c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
CCN(CC)c1ccc(\C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1
Oc1ccc(\C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Cl
Clc1ccc(CN2C(=O)N\C(=C/c3ccc(cc3)N3CCCC3)C2=O)cc1
O=C(On1nnc2ccccc12)c1cc[nH]c1
O=C(On1nnc2ccccc12)c1ccc[nH]1
O=C(On1nnc2ccccc12)c1c[nH]c2ccccc12
Cc1ccc2[nH]cc(C(=O)On3nnc4ccccc34)c2c1
Brc1ccc2[nH]cc(C(=O)On3nnc4ncccc34)c2c1
CN1CCN(CC1)c1ccc(c(N)c1)[N+]([O-])=O
O=C(NC(c1ccccc1)c1ccccc1)c1cc(nc2ccccc12)-c1cc2ccccc2o1
[H][C@]1(Cc2ccc(OCCCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N1)cc2)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O |r|
[H][C@]1(Cc2ccc(OCCCCCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N1)cc2)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O |r|
[H][C@]1(Cc2ccc(OCCCCCCCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N1)cc2)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O |r|
[H][C@]1(Cc2ccc(OCCCCCCCCCCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N1)cc2)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O |r|
[H][C@@]1(Cc2ccc(OCCCNC(=O)[C@H](CCSC)NC1=O)cc2)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O |r|
[H][C@@]1(Cc2ccc(OCCCCCNC(=O)[C@H](CCSC)NC1=O)cc2)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O |r|
[H][C@@]1(Cc2ccc(OCCCCCCCNC(=O)[C@H](CCSC)NC1=O)cc2)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O |r|
[H][C@@]1(Cc2ccc(OCCCCCCCCCCNC(=O)[C@H](CCSC)NC1=O)cc2)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O |r|
[H][C@]1(Cc2ccc(OCCCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N1)cc2)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@]1([H])Cc2ccc(OCCCCCNC(=O)[C@H](CCSC)NC1=O)cc2 |r|
c1nn[nH]c1-c1cccnc1
COc1cc(OC)c(C=C2C(=O)OC(C)(OC2=O)c2ccccc2)cc1Br |(69.69,-5.87,;68.35,-6.64,;67.02,-5.86,;67.03,-4.31,;65.7,-3.54,;65.7,-2,;67.04,-1.23,;64.37,-4.3,;63.03,-3.52,;61.69,-4.29,;61.68,-5.84,;63.01,-6.61,;60.36,-6.6,;59.03,-5.84,;58.25,-7.17,;59.03,-4.29,;60.36,-3.51,;60.36,-1.97,;57.49,-5.83,;56.73,-4.49,;55.19,-4.49,;54.41,-5.82,;55.18,-7.16,;56.72,-7.16,;64.35,-5.84,;65.68,-6.62,;65.67,-8.16,)|
Clc1ccc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc1 |(13.94,-6.18,;12.61,-5.41,;11.28,-6.16,;9.95,-5.39,;9.96,-3.85,;8.63,-3.07,;7.3,-3.84,;7.29,-5.39,;8.62,-6.15,;5.97,-6.15,;4.64,-5.39,;4.64,-3.84,;5.97,-3.06,;5.98,-1.53,;3.31,-6.16,;1.97,-5.39,;.64,-6.16,;.64,-7.7,;1.98,-8.47,;3.31,-7.69,;11.29,-3.09,;12.62,-3.86,)|
COc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)ccc1OCc1ccc2OCOc2c1
OC(=O)c1cccc(COc2ccc(C=C3C(=O)OC(OC3=O)c3ccccc3)cc2)c1 |(55.33,-9.67,;54,-8.89,;52.66,-9.65,;54.01,-7.35,;55.35,-6.59,;55.35,-5.04,;54.02,-4.27,;52.7,-5.04,;51.37,-4.26,;50.03,-5.02,;48.71,-4.25,;47.37,-5,;46.04,-4.23,;46.05,-2.69,;44.71,-1.91,;43.38,-2.68,;43.37,-4.23,;44.7,-5,;42.05,-4.99,;40.72,-4.23,;40.72,-2.68,;42.05,-1.9,;42.05,-.36,;39.38,-5,;38.04,-4.23,;36.7,-5,;36.7,-6.55,;38.05,-7.32,;39.38,-6.54,;47.38,-1.93,;48.71,-2.7,;52.68,-6.58,)|
CCOc1cc(C=C2C(=O)OC(C)(OC2=O)c2ccccc2)ccc1O |(74.74,-3.41,;73.4,-4.18,;72.07,-3.4,;70.74,-4.17,;69.41,-3.39,;68.08,-4.16,;66.74,-3.37,;65.4,-4.15,;65.39,-5.69,;66.72,-6.46,;64.07,-6.46,;62.73,-5.69,;61.95,-7.02,;62.73,-4.15,;64.07,-3.36,;64.07,-1.82,;61.19,-5.68,;60.44,-4.35,;58.9,-4.34,;58.12,-5.67,;58.89,-7.01,;60.42,-7.02,;68.06,-5.7,;69.39,-6.47,;70.73,-5.71,;72.06,-6.49,)|
COc1cc(C=C2C(=O)OC(C)(OC2=O)c2ccccc2)ccc1OCc1cccc(c1)C(O)=O |(16.89,-15.2,;15.56,-14.43,;14.22,-15.2,;12.9,-14.42,;11.56,-15.19,;10.23,-14.4,;8.89,-15.17,;8.88,-16.72,;10.21,-17.49,;7.56,-17.48,;6.22,-16.72,;5.44,-18.05,;6.22,-15.17,;7.56,-14.39,;7.56,-12.85,;4.68,-16.71,;3.93,-15.38,;2.39,-15.37,;1.61,-16.7,;2.38,-18.04,;3.91,-18.04,;11.55,-16.73,;12.88,-17.5,;14.22,-16.74,;15.55,-17.52,;16.89,-16.76,;18.22,-17.54,;19.54,-16.77,;20.87,-17.54,;20.87,-19.09,;19.53,-19.85,;18.2,-19.07,;19.52,-21.39,;20.85,-22.17,;18.18,-22.15,)|
COc1ccc(OC)c(C=C2C(=O)OC(C)(OC2=O)c2ccccc2)c1 |(36.16,-22.25,;37.5,-21.49,;37.51,-19.95,;38.85,-19.19,;38.85,-17.64,;37.52,-16.87,;37.53,-15.33,;38.87,-14.57,;36.19,-17.63,;34.86,-16.85,;33.52,-17.62,;33.51,-19.17,;34.84,-19.94,;32.19,-19.93,;30.85,-19.17,;30.08,-20.5,;30.85,-17.62,;32.19,-16.84,;32.19,-15.3,;29.31,-19.16,;28.56,-17.83,;27.02,-17.82,;26.24,-19.15,;27.01,-20.49,;28.55,-20.49,;36.18,-19.17,)|
CCOc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)ccc1O |(57.71,-16.63,;56.37,-17.4,;55.04,-16.62,;53.7,-17.39,;52.37,-16.61,;51.04,-17.38,;49.7,-16.59,;48.37,-17.37,;48.36,-18.91,;49.69,-19.69,;47.04,-19.68,;45.7,-18.91,;45.7,-17.37,;47.04,-16.58,;47.04,-15.04,;44.37,-19.69,;43.04,-18.92,;41.71,-19.69,;41.71,-21.23,;43.05,-22,;44.38,-21.22,;51.03,-18.92,;52.36,-19.69,;53.7,-18.93,;55.03,-19.71,)|
COc1ccccc1C=C1C(=O)OC(C)(OC1=O)c1ccccc1 |(73.56,-14.15,;72.22,-14.91,;72.22,-16.45,;73.54,-17.23,;73.54,-18.77,;72.2,-19.53,;70.87,-18.76,;70.88,-17.22,;69.55,-16.43,;68.21,-17.2,;68.2,-18.75,;69.53,-19.52,;66.88,-19.51,;65.54,-18.75,;64.77,-20.08,;65.54,-17.2,;66.88,-16.42,;66.88,-14.88,;64,-18.74,;63.25,-17.41,;61.71,-17.4,;60.93,-18.73,;61.7,-20.07,;63.24,-20.07,)|
CC(C)Oc1cccc(C=C2C(=O)OC(OC2=O)c2ccccc2)c1 |(12.36,-35.35,;12.37,-33.81,;11.04,-33.03,;13.71,-33.05,;13.72,-31.51,;15.06,-30.75,;15.06,-29.2,;13.74,-28.43,;12.4,-29.19,;11.07,-28.41,;9.73,-29.18,;9.72,-30.73,;11.05,-31.5,;8.4,-31.49,;7.06,-30.73,;7.06,-29.18,;8.4,-28.4,;8.4,-26.86,;5.73,-31.5,;4.4,-30.73,;3.07,-31.51,;3.07,-33.05,;4.42,-33.81,;5.74,-33.04,;12.39,-30.73,)|
CC1(OC(=O)C(=Cc2ccc(O)cc2)C(=O)O1)c1ccccc1 |(21.33,-32.8,;22.11,-31.47,;23.45,-32.23,;24.77,-31.47,;26.1,-32.24,;24.78,-29.92,;26.11,-29.15,;27.45,-29.94,;27.44,-31.48,;28.77,-32.25,;30.11,-31.49,;31.44,-32.27,;30.11,-29.95,;28.78,-29.17,;23.45,-29.14,;23.45,-27.6,;22.11,-29.92,;20.57,-31.46,;19.81,-30.13,;18.28,-30.12,;17.5,-31.45,;18.27,-32.79,;19.8,-32.79,)|
Oc1ccc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc1
COc1ccc(C=C2C(=O)OC(OC2=O)c2ccccc2)c(OC)c1OC |(64.87,-32.21,;64.87,-30.67,;63.55,-29.89,;62.21,-30.65,;60.88,-29.88,;60.89,-28.34,;59.55,-27.55,;58.21,-28.33,;58.21,-29.87,;59.54,-30.65,;56.88,-30.64,;55.55,-29.87,;55.55,-28.33,;56.88,-27.54,;56.89,-26,;54.22,-30.65,;52.88,-29.88,;51.55,-30.65,;51.56,-32.19,;52.9,-32.96,;54.23,-32.18,;62.22,-27.57,;62.23,-26.03,;63.56,-25.27,;63.55,-28.35,;64.89,-27.58,;66.22,-28.36,)|
COc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc(Cl)c1O
Oc1ccc(C=C2C(=O)OC(OC2=O)c2ccccc2)c(F)c1 |(48.3,-45.28,;46.98,-44.5,;45.64,-45.26,;44.31,-44.49,;44.32,-42.95,;42.98,-42.16,;41.64,-42.94,;41.64,-44.48,;42.97,-45.26,;40.32,-45.25,;38.98,-44.48,;38.98,-42.94,;40.32,-42.15,;40.32,-40.61,;37.65,-45.26,;36.32,-44.49,;34.99,-45.26,;34.99,-46.8,;36.33,-47.57,;37.66,-46.79,;45.65,-42.18,;45.66,-40.64,;46.98,-42.96,)|
Oc1ccc(C=C2C(=O)OC(OC2=O)c2ccccc2)c(Br)c1
Cc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)ccc1O
Oc1ccc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc1F
Oc1ccc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc1Cl
Oc1ccc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc1Br |(66.34,-56.72,;65.01,-55.94,;65.02,-54.4,;63.69,-53.62,;62.36,-54.39,;61.02,-53.6,;59.68,-54.37,;59.68,-55.92,;61.01,-56.69,;58.35,-56.68,;57.02,-55.92,;57.02,-54.37,;58.35,-53.59,;58.36,-52.05,;55.69,-56.7,;54.36,-55.93,;53.03,-56.7,;53.03,-58.24,;54.37,-59.01,;55.7,-58.23,;62.35,-55.93,;63.67,-56.7,;63.66,-58.24,)|
Oc1ccc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc1OCC1CC1
Oc1ccc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc1OCc1ccccc1 |(30.21,-6.5,;28.88,-5.72,;28.89,-4.17,;27.56,-3.4,;26.23,-4.16,;24.89,-3.38,;23.55,-4.15,;23.54,-5.7,;24.87,-6.47,;22.22,-6.46,;20.88,-5.7,;20.88,-4.15,;22.22,-3.37,;22.22,-1.83,;19.56,-6.48,;18.22,-5.71,;16.89,-6.48,;16.89,-8.02,;18.24,-8.79,;19.56,-8.01,;26.21,-5.71,;27.54,-6.48,;27.53,-8.02,;26.19,-8.78,;26.18,-10.32,;24.84,-11.07,;24.83,-12.61,;26.16,-13.39,;27.51,-12.62,;27.51,-11.09,)|
Cc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)c(C)cc1O |(44.6,-8.32,;44.61,-6.78,;43.29,-6.01,;43.3,-4.47,;41.96,-3.68,;40.62,-4.46,;40.61,-6,;41.94,-6.78,;39.29,-6.77,;37.95,-6,;37.95,-4.46,;39.29,-3.67,;39.29,-2.13,;36.63,-6.78,;35.29,-6.01,;33.96,-6.78,;33.96,-8.32,;35.31,-9.09,;36.63,-8.31,;44.63,-3.7,;44.63,-2.16,;45.96,-4.48,;45.95,-6.02,;47.28,-6.8,)|
COc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)c(Br)cc1O
Cc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc(C)c1O
CCc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc(CC)c1O
CC(C)(C)c1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc(c1O)C(C)(C)C
COc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc(OC)c1O
COc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc(Cc2ccccc2)c1O
COc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc(C(=O)OCc2ccccc2)c1O |(28.57,-35.66,;29.9,-34.9,;29.91,-33.36,;28.59,-32.59,;28.6,-31.05,;27.26,-30.26,;25.92,-31.03,;25.92,-32.58,;27.25,-33.35,;24.59,-33.34,;23.26,-32.58,;23.26,-31.03,;24.59,-30.25,;24.59,-28.71,;21.93,-33.36,;20.59,-32.59,;19.26,-33.36,;19.26,-34.9,;20.61,-35.67,;21.93,-34.89,;29.93,-30.28,;31.26,-31.06,;32.6,-30.29,;32.6,-28.75,;33.93,-31.06,;35.26,-30.3,;36.59,-31.07,;36.58,-32.61,;37.91,-33.39,;39.25,-32.62,;39.25,-31.08,;37.92,-30.31,;31.25,-32.6,;32.58,-33.38,)|
CCOc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc(c1O)[N+]([O-])=O |(54.58,-32.08,;53.25,-32.84,;51.91,-32.07,;50.58,-32.84,;49.25,-32.06,;47.92,-32.83,;46.58,-32.04,;45.24,-32.81,;45.24,-34.36,;46.57,-35.13,;43.91,-35.12,;42.58,-34.36,;42.58,-32.81,;43.91,-32.03,;43.91,-30.49,;41.25,-35.14,;39.91,-34.37,;38.58,-35.14,;38.58,-36.68,;39.93,-37.45,;41.25,-36.67,;47.91,-34.37,;49.23,-35.14,;50.57,-34.38,;51.9,-35.16,;49.23,-36.69,;47.89,-37.45,;50.56,-37.47,)|
COc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc(c1O)[N+]([O-])=O |(66.13,-37.61,;67.47,-36.85,;67.48,-35.31,;66.15,-34.54,;66.16,-33,;64.82,-32.21,;63.48,-32.98,;63.48,-34.53,;64.81,-35.3,;62.16,-35.29,;60.82,-34.53,;60.82,-32.98,;62.16,-32.2,;62.16,-30.66,;59.49,-35.31,;58.15,-34.54,;56.82,-35.31,;56.83,-36.85,;58.17,-37.62,;59.5,-36.84,;67.49,-32.23,;68.82,-33.01,;68.82,-34.55,;70.15,-35.33,;70.16,-32.23,;71.49,-33.01,;70.16,-30.69,)|
COc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc(Br)c1O
CCOc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc(Br)c1O
Oc1c(F)cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc1F
Oc1c(Cl)cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc1Cl |(71.33,-46.85,;70,-46.07,;68.66,-46.83,;68.65,-48.37,;67.33,-46.06,;67.34,-44.51,;66.01,-43.73,;64.67,-44.5,;64.66,-46.05,;65.99,-46.82,;63.34,-46.81,;62,-46.05,;62,-44.5,;63.34,-43.72,;63.34,-42.18,;60.67,-46.83,;59.34,-46.06,;58.01,-46.83,;58.01,-48.37,;59.36,-49.14,;60.68,-48.36,;68.68,-43.75,;70.01,-44.52,;71.34,-43.76,)|
Oc1c(Br)cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc1Br
Oc1c(I)cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc1I |(35.39,-58.2,;34.06,-57.42,;34.07,-55.87,;35.4,-55.11,;32.74,-55.1,;31.41,-55.86,;30.07,-55.08,;28.73,-55.85,;28.72,-57.4,;30.05,-58.17,;27.4,-58.16,;26.06,-57.4,;26.06,-55.85,;27.4,-55.07,;27.4,-53.53,;24.74,-58.17,;23.4,-57.4,;22.07,-58.18,;22.07,-59.72,;23.42,-60.48,;24.74,-59.71,;31.39,-57.4,;32.72,-58.18,;32.71,-59.72,)|
Oc1c(Br)cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc1OCc1ccccc1 |(51.25,-57.69,;49.92,-56.91,;48.58,-57.67,;48.57,-59.21,;47.26,-56.89,;47.27,-55.35,;45.93,-54.57,;44.59,-55.34,;44.58,-56.89,;45.92,-57.66,;43.26,-57.65,;41.92,-56.89,;41.92,-55.34,;43.26,-54.56,;43.26,-53.02,;40.6,-57.66,;39.26,-56.89,;37.93,-57.67,;37.93,-59.21,;39.28,-59.97,;40.6,-59.2,;48.6,-54.59,;49.93,-55.36,;51.26,-54.6,;52.6,-55.37,;53.93,-54.61,;55.26,-55.38,;56.6,-54.62,;56.6,-53.08,;55.26,-52.3,;53.93,-53.07,)|
Oc1c(I)cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc1OCc1ccccc1
COc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc(I)c1O |(15.71,-.89,;15.71,-2.43,;14.37,-3.19,;13.04,-2.42,;11.71,-3.18,;10.37,-2.4,;9.04,-3.17,;9.03,-4.72,;10.36,-5.49,;7.71,-5.48,;6.37,-4.72,;6.37,-3.17,;7.71,-2.39,;7.71,-.85,;5.04,-5.5,;3.71,-4.73,;2.38,-5.5,;2.38,-7.04,;3.72,-7.81,;5.05,-7.03,;11.7,-4.73,;13.03,-5.5,;13.02,-7.04,;14.37,-4.74,;15.7,-5.52,)|
Nc1c(Br)cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc1Br |(31.1,-6.52,;29.78,-5.74,;28.43,-6.5,;28.43,-8.04,;27.11,-5.73,;27.12,-4.19,;25.78,-3.4,;24.44,-4.18,;24.44,-5.72,;25.77,-6.5,;23.11,-6.49,;21.78,-5.72,;21.78,-4.18,;23.11,-3.39,;23.12,-1.85,;20.45,-6.5,;19.11,-5.73,;17.78,-6.5,;17.79,-8.04,;19.13,-8.81,;20.46,-8.03,;28.45,-3.42,;29.78,-4.2,;31.12,-3.43,)|
Nc1c(I)cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc1I |(48.43,-6.64,;47.1,-5.86,;45.76,-6.62,;45.75,-8.16,;44.44,-5.85,;44.45,-4.3,;43.11,-3.52,;41.77,-4.29,;41.76,-5.84,;43.1,-6.61,;40.44,-6.6,;39.11,-5.84,;39.11,-4.29,;40.44,-3.51,;40.44,-1.97,;37.78,-6.62,;36.44,-5.85,;35.11,-6.62,;35.11,-8.16,;36.46,-8.93,;37.78,-8.15,;45.78,-3.54,;47.11,-4.31,;48.44,-3.55,)|
NC(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 |r|
CCC(Sc1nnc2c(n1)[nH]c1ccccc21)C(=O)N1c2ccccc2Sc2ccccc12
NC(=O)Cc1cc2cc(Cl)ccc2[nH]1
NC(=O)Cc1[nH]c2ccc(Cl)cc2c1CC(N)=O
Cc1c(CC(N)=O)[nH]c2ccc(Cl)cc12
CCc1c(CC(N)=O)[nH]c2ccc(Cl)cc12
CCCc1c(CC(N)=O)[nH]c2ccc(Cl)cc12
CCCCc1c(CC(N)=O)[nH]c2ccc(Cl)cc12
CCCCCc1c(CC(N)=O)[nH]c2ccc(Cl)cc12
NC(=O)Cc1[nH]c2ccc(Cl)cc2c1Cc1ccccc1
CC(C)c1c(CC(N)=O)[nH]c2ccc(Cl)cc12
CC(C)(C)c1c(CC(N)=O)[nH]c2ccc(Cl)cc12
CC(C)c1c(CC(N)=O)[nH]c2ccc(Br)cc12
CCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)C |r|
CCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)C |r|
CC(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(N)=S)NC(=O)OCc1ccccc1 |r|
CCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)C |r|
CCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)C |r|
CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r|
CCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r|
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)CCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)C(=O)Nc1ccccc1 |r|
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)CCOCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)C(=O)Nc1ccccc1 |r|
CCOC(=O)c1cnc(NCc2ccccc2)nc1NCCCNC(=S)NCCC(O)=O
CCOC(=O)c1cnc(CCc2c[nH]c3ccccc23)nc1NCCCNC(=S)NCCC(O)=O
OC(=O)CCNC(=S)NCCCNc1nc(CCc2c[nH]c3ccccc23)ncc1C(O)=O
CCOC(=O)C1CNc2ccccc2O1
OC(=O)C1CNc2ccccc2O1
NC(=O)C1CNc2ccccc2O1
CC(C)(C)OC(=O)Nc1nc(CN2CC(Oc3ccccc23)C(N)=O)cs1
COc1ccc(CN2CC(Oc3ccccc23)C(N)=O)cc1
NC(=O)C1CN(Cc2ccc(cc2)C(F)(F)F)c2ccccc2O1
NC(=O)C1CN(Cc2ccccc2O)c2ccccc2O1
COC(=O)c1ccc(CN2CC(Oc3ccccc23)C(N)=O)cc1
CC(C)(C)OC(=O)c1ccc(CN2CC(Oc3ccccc23)C(N)=O)cc1
NC(=O)C1CN(Cc2ccccn2)c2ccccc2O1
NC(=O)C1CN(Cc2cccnc2)c2ccccc2O1
NC(=O)C1CN(CC#C)c2ccccc2O1
NC(=O)C1CN(Cc2cn(Cc3ccccc3)nn2)c2ccccc2O1
NC(=O)C1CN(Cc2cnnn2Cc2ccccc2)c2ccccc2O1
NC(=O)C1CN(Cc2csc(N)n2)c2ccccc2O1
NC(=O)C1CN(Cc2cccc(c2)[N+]([O-])=O)c2ccccc2O1
NC(=O)C1CN(Cc2ccccc2[N+]([O-])=O)c2ccccc2O1
NC(=O)C1CN(Cc2ccccc2N)c2ccccc2O1
CC(=O)Nc1ccccc1CN1CC(Oc2ccccc12)C(N)=O
CC(=O)Nc1ccc(CN2CC(Oc3ccccc23)C(N)=O)cc1
CC(=O)Nc1cccc(CN2CC(Oc3ccccc23)C(N)=O)c1
NC(=O)C1CN(Cc2ccccc2C#N)c2ccccc2O1
NC(=O)C1CN(Cc2cccc(c2)C#N)c2ccccc2O1
NC(=O)C1CN(Cc2ccc3OCOc3c2)c2ccccc2O1
CC(=O)Nc1nc(CN2CC(Oc3ccccc23)C(N)=O)cs1
NC(=O)C1CN(Cc2ccc3nonc3c2)c2ccccc2O1
NC(=O)C1CN(Cc2ccccc2F)c2ccccc2O1
NC(=O)C1CN(Cc2ccccc2Cl)c2ccccc2O1
NC(=O)C1CN(Cc2ccccc2Br)c2ccccc2O1
NC(=O)C1CN(Cc2ccccc2I)c2ccccc2O1
NC(=O)C1CN(Cc2ccccc2C(F)(F)F)c2ccccc2O1
Cc1ccccc1CN1CC(Oc2ccccc12)C(N)=O
Cc1cccc(C)c1CN1CC(Oc2ccccc12)C(N)=O
NC(=O)C1CN(Cc2ccc(cc2)-c2ccccc2)c2ccccc2O1
COC(=O)c1ccccc1CN1CC(Oc2ccccc12)C(N)=O
CN1CC(Oc2ccccc12)C(N)=O
NC(=O)C1CN(Cc2ccccc2C(O)=O)c2ccccc2O1
NC(=O)C1CN(Cc2ccccc2)c2ccccc2O1
NC(=O)C1CN(Cc2cccc(Br)c2)c2ccccc2O1
COc1cccc(CN2CC(Oc3ccccc23)C(N)=O)c1
NC(=O)C1CN(Cc2ccc(cc2)[N+]([O-])=O)c2ccccc2O1
NC(=O)C1CN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccccc2O1
CC(=O)N1CC(Oc2ccccc12)C(N)=O
CC(C)CC(=O)N1CC(Oc2ccccc12)C(N)=O
NC(=O)C1CN(C(=O)c2ccccc2)c2ccccc2O1
NC(=O)C1CN(C(=O)c2cccnc2)c2ccccc2O1
COc1ccc(cc1)C(=O)N1CC(Oc2ccccc12)C(N)=O
NC(=O)C1CN(C(=O)c2ccc(CCl)cc2)c2ccccc2O1
CS(=O)(=O)N1CC(Oc2ccccc12)C(N)=O
Cc1ccc(cc1)S(=O)(=O)N1CC(Oc2ccccc12)C(N)=O
NC(=O)C1CN(c2ccccc2O1)S(=O)(=O)c1cccc2ccccc12
Cc1ccc(NC(=O)N2CC(Oc3ccccc23)C(N)=O)cc1
COc1ccc(NC(=O)N2CC(Oc3ccccc23)C(N)=O)cc1
NC(=O)C1CN(C(=O)Nc2cccc(c2)C#N)c2ccccc2O1
CCOC(=O)C1CN(Cc2ccccc2)c2ccccc2O1
OC(=O)C1CN(Cc2ccccc2)c2ccccc2O1
CNC(=O)C1CN(Cc2ccccc2)c2ccccc2O1
CN(C)C(=O)C1CN(Cc2ccccc2)c2ccccc2O1
O=C(C1CN(Cc2ccccc2)c2ccccc2O1)N1CCCCC1
CC(C)(C)OC(=O)CN1CC(Oc2ccccc12)C(N)=O
O=C(CNCc1ccc(CNC(=O)C2CC(=O)c3ccccc23)cc1)C1CC2CCC1C2
O=C(CNCCCNC(=O)C1CC(=O)c2ccccc12)C1CC2CCC1C2
O=C(CNCCCCCCNC(=O)C1CC(=O)c2ccccc12)C1CC2CCC1C2
O=C(CNCCOCCOCCNC(=O)C1CC(=O)c2ccccc12)C1CC2CCC1C2
O=C(CNCCOCCOCCOCCNC(=O)C1CC(=O)c2ccccc12)C1CC2CCC1C2
O=C(NCCCCCCNC(=O)c1cccc(c1)-c1cccnc1)c1cccc(c1)-c1cccnc1
COc1cc(CC(=O)NCCCCCCNC(=O)c2cccc(c2)-c2cccnc2)cc(OC)c1OC
O=C(NCCOCCOCCOCCNC(=O)c1cccc(c1)-c1cccnc1)c1cccc(c1)-c1cccnc1
OC(=O)CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r|
CCn1c2nc(SSc3nc4n(CC)c(=O)n(CC)c(=O)c4[nH]3)[nH]c2c(=O)n(CC)c1=O
CCCn1c2nc(SSc3nc4n(CCC)c(=O)n(CCC)c(=O)c4[nH]3)[nH]c2c(=O)n(CCC)c1=O
CCn1c2nc(SSc3nc4n(CC)c(=O)n(CCc5ccc(OC)cc5)c(=O)c4[nH]3)[nH]c2c(=O)n(CCc2ccc(OC)cc2)c1=O
CCn1c2nc(SSc3nc4n(CC)c(=O)n(CC(C)C)c(=O)c4[nH]3)[nH]c2c(=O)n(CC(C)C)c1=O
CCn1c2nc(SSc3nc4n(CC)c(=O)n(CC5CCOCC5)c(=O)c4[nH]3)[nH]c2c(=O)n(CC2CCOCC2)c1=O
CCn1c2nc(SSc3nc4n(CC)c(=O)n(CCc5ccccc5)c(=O)c4[nH]3)[nH]c2c(=O)n(CCc2ccccc2)c1=O
N[C@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)O[C@H]1[n+]1cccc(c1)C(N)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCCCCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNC(=S)NCCC(O)=O)C(=O)N1)C(N)=O |r|
CC(NC(=O)c1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
C[C@@H](NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
C[C@H](NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
CC(NC(=O)c1ccc(cc1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
NC(=O)C1NCCc2c1[nH]c1ccc(Cl)cc21
NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21
CCOC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
CCNC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
NC(=O)C1CCCc2c1[nH]c1ccc(O)cc21
NC(=O)C1CCc2c1[nH]c1ccccc21
NC(=O)C1CCCc2c1[nH]c1ccccc21
c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCCC3)C(=O)N
NC(=O)[C@@H]1CCCCc2c1[nH]c1ccc(Cl)cc21
Cc1ccc2[nH]c3C(CN)CCCc3c2c1
NC(=O)C1NCCc2c1[nH]c1ccc(Br)cc21
OC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
Cc1ccc2n(C)c3C(CCCc3c2c1)C(N)=O
NC(=O)CNC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
CC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1C(N)=O
NC(=O)C1CCCC2C1Nc1ccc(Cl)cc21
Cc1ccc2[nH]c3c(CCCC3(C)C(N)=O)c2c1
NC(=O)C1CCc2c1[nH]c1ccc(Cl)cc21
Cc1ccc2[nH]c3C(CCCc3c2c1)C(N)=O
NC(=O)C1CCc2c(C1)[nH]c1ccc(Br)cc21
CCN(CC)C(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
NC(=O)C1CCc2c(C1)[nH]c1ccc(Cl)cc21
ONC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN=C(C)S)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(/N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(O)=O
CCCCCCCCCCCCNC(=O)[C@H](CCCCN)NC(C)=O |r|
O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1
C[n+]1c(CCc2c[nH]c3ccccc23)cc(N)c2ccccc12
O=c1nc2oc3ccc4ccccc4c3cc2c(=O)n1-c1ccccc1
O=c1nc2oc3ccccc3cc2c(=O)[nH]1
O=C1N=C2Oc3ccccc3CC2C(=O)N1c1ccccc1 |t:2|
CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4|
CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|
Brc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1
[H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C
Fc1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12
Clc1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12
Cc1ccc(cc1)C(=O)NCCc1c[nH]c2ccccc12
O=C(NCCc1c[nH]c2ccccc12)c1n[nH]c2ccccc12
Oc1ccccc1C(=O)NCCc1c[nH]c2ccccc12
O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccccc2)c1
COc1ccc(cc1)N1CCN(CC1)c1nc(nc2ccccc12)-c1ccccc1
O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccccc2)cc1
Oc1cc2ccccc2cc1C(=O)NCCc1c[nH]c2ccccc12
OC(=O)CCNC(=S)NCCCNc1nc(Nc2ccccc2Cl)ncc1C(=O)N1CC[C@@H](C1)c1ccccc1 |r|
OC(=O)CCNC(=S)NCCCNc1nc(Nc2ccccc2)nc(Nc2ccccc2Cl)n1
COc1cc(Nc2nc(NCCCNC(=S)NCCC(O)=O)nc(Nc3ccccc3Cl)n2)cc(OC)c1
FC(F)(F)c1cccc(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1
Clc1cccc(-c2ccc(\C=C(/C#N)C(=O)Nc3cccc4cccnc34)o2)c1Cl
Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1
FC(F)(F)c1cccc(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Clc1ccccc1-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1
[O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)c2ccc(Cl)cc2)c2cccnc12
Clc1cccc(-c2ccc(\C=C(/C#N)C(=O)Nc3cccc4ncccc34)o2)c1Cl
Clc1ccccc1-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
CC(C)(C)c1ccc(C(=O)c2ccc(O)c(O)c2)cc1
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(O)c1
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)OC
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(N)=O
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCN1CCOCC1
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCN1CCNCC1
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC[N+](CC)(CC)CC
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCC[N+](CC)(CC)CC
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCCC[N+](CC)(CC)CC
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCCN(CC)CC
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCC[N+](CC)(CC)CC
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCC[N+](CC)(CC)Cc1ccccc1
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCCN
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCN
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCCNC(=N)N
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(C[N+](CC)(CC)CC)c1
CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(CN)c1
CCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCC[N+](CC)(CC)CC
CCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCCN(CC)CC
NC(=O)c1cc2ncnc(N3[C@@H]4CC[C@H]3CN(C(=O)Nc3ccc(C(F)(F)F)cc3)C4)c2s1
CCNC(=S)c1ccc(C(=O)NCCC2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)s1
CCCCCCCCCCCCCC(=S)NCCCCC(NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1
CCCCCCCCCCCCCC(=O)NCCCCC(NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3c(-[#8])ccc(-[#8])c3c(=O)c2c1-[#8]
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]
c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O
CC(C)(C)OC(=O)Nc1cccc(c1)-c1noc(n1)C(=O)NNC(=S)Nc1ccc(cc1)C(F)(F)F
FC(F)(F)c1ccc(NC(=S)NNC(=O)c2nc(no2)-c2cccc3ccccc23)cc1
FC(F)(F)c1cccc(NC(=S)NNC(=O)c2nc(no2)-c2cccc3ccccc23)c1
CC(C)(C)c1ccc(cc1)-c1noc(n1)C(=O)NNC(=S)Nc1ccc(cc1)C(F)(F)F
CC(C)(C)c1ccc(cc1)-c1noc(n1)C(=O)NNC(=S)Nc1cccc(c1)C(F)(F)F
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(O)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CO)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(O)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H](N)CC(O)=O)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(O)=O |r|
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CO)C(O)=O |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(O)=O |r|
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CO)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)N)[C@@H](C)O)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CO)C(O)=O |r|
C[C@@H](O)[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(O)=O |r|
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(O)=O |r|
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(O)=O |r|
CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(O)=O |r|
COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1
Cc1cccc(Nc2ccccc2C(N)=O)c1
NC(=O)c1ccccc1Nc1cccc(c1)-c1ccccc1
NC(=O)c1ccccc1Nc1cccc(Sc2ccccc2)c1
NC(=O)c1ccccc1Nc1cccc(Oc2ccccc2)c1
COC(=O)\C=C\c1cccc(Nc2ccccc2C(N)=O)c1
NC(=O)c1ccccc1Nc1cccc(\C=C\C(O)=O)c1
NC(=O)c1ccccc1Nc1cccc(CO)c1
NC(=O)c1ccccc1Nc1cccc(CCO)c1
NC(=O)c1ccccc1Sc1ccccc1
CC(NS(=O)(=O)c1ccc(cc1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
CC(CSc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
O=C1CCc2c(O1)ccc1ccccc21
Clc1ccccc1C(=O)C1Cc2c(OC1=O)ccc1ccccc21
c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N
C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(C)=O)C(O)=O |r|
CC(C)CC(=S)NCCCC[C@H](NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](C)C(O)=O |r|
C[C@H](NC(=O)[C@H](CCCCNC(C)=[Se])NC(=O)[C@H](C)NC(C)=O)C(O)=O |r|
CC(=[Se])NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r|
[#6]-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O |r|
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r|
CC(C)CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](C)C(O)=O |r|
CNC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)C(C)(C)C)NC(=O)[C@H](C)NC(C)=O |r|
[#6]-[#8]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O |r|
CNC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](C)NC(C)=O |r|
C[C@H](NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](C)NC(C)=O)C(O)=O |r|
COC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)C(C)(C)C)NC(=O)[C@H](C)NC(C)=O |r|
COC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](C)NC(C)=O |r|
COC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CBr)NC(=O)[C@H](C)NC(C)=O |r|
Nc1ncnc2n([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(nc12)-c1ccccc1 |r|
Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc2ccccc2c1
Oc1ccc2ccccc2c1Cc1c(CCc2ccccc2)[nH]c(=S)[nH]c1=O
O=C(C1Cc2c(OC1=O)ccc1ccccc21)c1ccccc1
S=c1[nH]c2ccc3ccccc3c2[nH]1
Cc1ccc(cc1)C1CC(=O)Nc2ccc3cc(C)ccc3c12
OC(=O)c1ccc2[nH]c(=S)[nH]c2c1
COc1ccc2[nH]c(=S)[nH]c2n1
[NH3+]CCn1c2ccc(cc2[nH]c1=S)[N+]([O-])=O
Clc1ccc2[nH]c(=S)[nH]c2n1
CC(=O)NCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCCC(N)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCC[C@H](NC(=O)[C@H](CCCCNC(N)=S)NC(=O)[C@H](CCCNC(C)=O)NC(C)=O)C(N)=O |r|
CNC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(C)=O |r|
COC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(C)=O |r|
C[C@H](N)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](C)C(O)=O |r|
C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H]1CCCN1C(C)=O)C(O)=O |r|
COC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(C)=O |r|
C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(O)=O |r|
C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](N)Cc1ccccc1)C(O)=O |r|
C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc1ccccc1)C(O)=O |r|
C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)CCc1ccccc1)C(O)=O |r|
C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)CCc1ccccc1F)C(O)=O |r|
C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H]1CCCN(C1)C(=O)OC(C)(C)C)C(O)=O |r|
C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)CCc1ccccc1O)C(O)=O |r|
CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCC1 |r|
CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1F |r|
CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1O |r|
CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1 |r|
CN(C)CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
CCCc1ccc(cc1)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
CCCCc1ccc(cc1)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
CCCCCc1ccc(cc1)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2)cc1
CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1
COc1ccc(cc1)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1
CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1
CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1
CN(C)CCCCNC(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
O=C(NC1(CCNCC1)C(=O)NCCc1c[nH]c2ccccc12)\C=C\c1ccc(OCc2ccccc2)cc1
Fc1ccc(COc2ccc(\C=C\C(=O)NC3(CCNCC3)C(=O)NCCc3c[nH]c4ccc(F)cc34)cc2)cc1
O[C@@H]1CCN(Cc2csc3nc(cn23)-c2ccccc2NC(=O)c2ccc3ccccc3c2)C1
c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
Oc1c(Br)cc(\C=C2/C(=O)Nc3c2ccc(Cl)c3Cl)cc1Br
OC1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1
COCC#CC1N(C)CCc2cc(OC)c(O)cc12
OC(=O)CCN1Cc2ccccc2C1=O
Cc1cc(Cl)c(O)c(Cc2c(O)c(Cl)cc(Cl)c2Cl)c1Cl
CCc1ccc(OCCCC(O)Oc2ccc3c(c2)oc(=O)c2ccccc32)cc1
Cc1ccc2[nH]c3C(CCCCc3c2c1)C(N)=O
CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C1=C(C2c2ccccc2OCc2ccccc2)C(=O)CC(C)(C)C1 |c:6,19|
CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C1=C(C2c2cccc(OCc3ccccc3)c2)C(=O)CC(C)(C)C1 |c:6,19|
CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C1=C(C2c2ccc(OCc3ccccc3)cc2)C(=O)CC(C)(C)C1 |c:6,19|
CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C1=C(C2c2ccccc2OCc2ccccc2)C(=O)CC(C)(C)C1 |c:6,25|
CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C1=C(C2c2ccc(OCc3ccccc3)cc2)C(=O)CC(C)(C)C1 |c:6,25|
CC1(C)CC(=O)C2=C(C1)N(NC(=O)c1ccccc1)C1=C(C2c2ccc(OCc3ccccc3)cc2)C(=O)CC(C)(C)C1 |c:6,21|
COc1ccc(C(=O)NN2C3=C(C(C4=C2CC(C)(C)CC4=O)c2ccc(OCc4ccccc4)cc2)C(=O)CC(C)(C)C3)c(OC)n1 |c:10,13|
Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(c2)C(F)(F)F)c1
NC(=O)c1ccccc1Nc1cccc(OCCc2ccc(cc2)C(F)(F)F)c1
NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2F)c1
NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(F)c2)c1
NC(=O)c1ccccc1Nc1cccc(OCCc2ccc(F)cc2)c1
NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2Cl)c1
NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(Cl)c2)c1
NC(=O)c1ccccc1Nc1cccc(OCCc2ccc(Cl)cc2)c1
NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2Br)c1
NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(Br)c2)c1
NC(=O)c1ccccc1Nc1cccc(OCCc2ccc(Br)cc2)c1
COC(=O)c1cccc(Nc2ccccc2C(N)=O)c1
NC(=O)c1ccccc1Nc1cccc(c1)C(O)=O
NC(=O)c1ccccc1Nc1cccc(CCC(O)=O)c1
c1ccc(c(c1)C(=O)N)Nc2ccc(cc2)Cl
Cc1ccc(Nc2ccccc2C(N)=O)cc1
NC(=O)c1ccccc1Nc1ccc(cc1)-c1ccccc1
COc1ccc(Nc2ccccc2C(N)=O)cc1
COC(=O)c1ccc(Nc2ccccc2C(N)=O)cc1
NC(=O)c1ccccc1Nc1ccc(Oc2ccccc2)cc1
NC(=O)c1ccccc1Nc1ccc2ccccc2c1
c1ccc(cc1)Nc2ccccc2C(=O)O
CNC(=O)c1ccccc1Nc1ccccc1
CN(C)C(=O)c1ccccc1Nc1ccccc1
NC(=O)c1ccccc1Oc1ccccc1
CN(c1ccccc1)c1ccccc1C(N)=O
NC(=O)c1ccccc1Nc1ccc(\C=C/c2ccccc2)cc1
NC(=O)c1ccccc1Nc1ccc(\C=C\c2ccccc2)cc1
NC(=O)c1ccccc1Nc1ccc(CCc2ccccc2)cc1
CN(C(=O)c1ccc(Nc2ccccc2C(N)=O)cc1)c1ccccc1
NC(=O)c1ccccc1Nc1ccc(cc1)C(=O)Nc1ccccc1
CN(C(=O)c1ccccc1)c1ccc(Nc2ccccc2C(N)=O)cc1
NC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccc2)cc1
CC(=O)Nc1ccc(Nc2ccccc2C(N)=O)cc1
CC(C)C(=O)Nc1ccc(Nc2ccccc2C(N)=O)cc1
NC(=O)c1ccccc1Nc1ccc(NC(=O)C2CCCCC2)cc1
NC(=O)c1ccccc1Nc1ccc(NC(=O)C2CCNCC2)cc1
NC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccn2)cc1
NC(=O)c1ccccc1Nc1ccc(NC(=O)c2cccnc2)cc1
NC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccncc2)cc1
NC(=O)c1ccccc1Nc1cccc(c1)C(=O)Nc1ccccc1
CN(C(=O)c1cccc(Nc2ccccc2C(N)=O)c1)c1ccccc1
NC(=O)c1ccccc1Nc1cccc(c1)C(=O)NCc1ccccc1
CN(Cc1ccccc1)C(=O)c1cccc(Nc2ccccc2C(N)=O)c1
NC(=O)c1ccccc1Nc1cccc(NC(=O)c2ccccc2)c1
CN(C(=O)c1ccccc1)c1cccc(Nc2ccccc2C(N)=O)c1
NC(=O)c1ccccc1Nc1cccc(NC(=O)Cc2ccccc2)c1
CN(C(=O)Cc1ccccc1)c1cccc(Nc2ccccc2C(N)=O)c1
NC(=O)c1ccccc1Nc1cccc(OCC2CCCCC2)c1
CC(C)COc1cccc(Nc2ccccc2C(N)=O)c1
NC(=O)c1ccccc1Nc1cccc(OCc2ccccc2)c1
c1ccc(cc1)CCOc2cccc(c2)Nc3ccccc3C(=O)N
NC(=O)c1ccccc1Nc1cccc(OCCCc2ccccc2)c1
Cc1ccccc1CCOc1cccc(Nc2ccccc2C(N)=O)c1
Cc1cccc(CCOc2cccc(Nc3ccccc3C(N)=O)c2)c1
Cc1ccc(CCOc2cccc(Nc3ccccc3C(N)=O)c2)cc1
NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2C(F)(F)F)c1
O=C(Nc1ccc(CN2CCNCC2)cc1-c1nc2ccccc2[nH]1)c1cnc2ccccc2n1
O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cnc2ccccc2n1
CN(C)c1cccc(c1)C(=O)Nc1ccccc1-c1nc2ncccc2o1
COc1ccc(cc1OC)C(=O)Nc1ccccc1-c1nc2ncccc2o1
CN(C)c1cccc(c1)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
COc1ccc(cc1OC)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]\c1cccc2ccccc12
Cc1ccc2[nH]c(=O)c(C=C3C(=O)NC(=S)NC3=O)cc2c1 |(7.63,2.39,;6.3,3.16,;6.3,4.7,;4.97,5.47,;3.63,4.7,;2.3,5.47,;.97,4.7,;-.37,5.47,;.97,3.16,;-.37,2.39,;-.37,.85,;-1.7,.08,;-3.04,.85,;-1.7,-1.46,;-.37,-2.23,;-.37,-3.77,;.97,-1.46,;.97,.08,;2.3,.85,;2.3,2.39,;3.63,3.16,;4.97,2.39,)|
CCOC(=O)CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r|
Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
O=c1nc2oc3ccc4ccccc4c3cc2c(=O)n1Cc1ccccc1
O=c1nc2oc3ccc4ccccc4c3cc2c(=O)n1C1CCCCC1
CCCCn1c(=O)nc2oc3ccc4ccccc4c3cc2c1=O
C=CCn1c(=O)nc2oc3ccc4ccccc4c3cc2c1=O
CCCn1c(=O)nc2oc3ccc4ccccc4c3cc2c1=O
CCn1c(=O)nc2oc3ccc4ccccc4c3cc2c1=O
Cn1c(=O)nc2oc3ccc4ccccc4c3cc2c1=O
CCCCn1c(=O)nc2oc3ccccc3cc2c1=O
CCCn1c(=O)nc2oc3ccccc3cc2c1=O
CCn1c(=O)nc2oc3ccccc3cc2c1=O
Cn1c(=O)nc2oc3ccccc3cc2c1=O
Oc1ccc(Br)cc1\C=C1/Oc2ccccc2C1=O
CC(C(=O)Nc1ccc(cc1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
CC(NS(=O)(=O)c1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
CC(CSc1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
CC(CSc1ccc(cc1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
CC(CS(=O)c1ccccc1N=Cc1c(O)ccc2ccccc12)c1ccccc1 |w:11.11|
CC(CS(=O)c1cccc(c1)N=Cc1c(O)ccc2ccccc12)c1ccccc1 |w:11.11|
CC(CS(=O)c1ccc(cc1)N=Cc1c(O)ccc2ccccc12)c1ccccc1 |w:11.11|
CC(CS(=O)(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
CC(CS(=O)(=O)c1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
CC(C(=O)Nc1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
[#6]-[#6](-[#6])-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)cc1
O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]\c1ccc(-[#8]-[#6]-c2ccccc2)cc1
Brc1ccc(-[#6]-[#8]-c2ccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)cc2)cc1
[#6]-[#8]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)ccc1-[#8]-[#6]-c1ccccc1Cl
[#6]-[#8]-c1ccc2c(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)cccc2c1
O=C1NC(=S)NC(=O)C1=Cc1c[nH]c2ccccc12 |(.91,-.4,;.44,-1.87,;-1.07,-2.19,;-1.55,-3.65,;-3.05,-3.97,;-.51,-4.8,;.99,-4.48,;2.02,-5.62,;1.47,-3.01,;2.97,-2.69,;3.45,-1.23,;2.54,.02,;3.45,1.26,;4.91,.79,;6.25,1.56,;7.58,.79,;7.58,-.75,;6.25,-1.52,;4.91,-.75,)|
[H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C
Clc1cccc(-c2ccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)o2)c1Cl
CN1C(=S)NC(=O)\C(=C/c2c[nH]c3ccccc23)C1=O
C=CCN1C(=S)NC(=O)\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O
O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]/c1cn(-[#6]-c2ccccc2)c2ccccc12
CCN1C(=S)NC(=O)\C(=C/c2c[nH]c3ccccc23)C1=O
CN1C(=S)NC(=O)\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O
CCN1C(=S)NC(=O)\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O
CC[C@@H]1CC(=O)[C@@H]2[C@@H](O)C(C)=CC[C@H]2[C@]1(C)C(=O)c1c(O)c[nH]c1O |r,c:10|
Oc1ccc(O)c(c1)C(=O)c1coc2ccc(O)cc12
COc1ccc(O)cc1C(=O)c1coc2ccc(O)cc12
COc1ccc(O)c(c1)C(=O)c1coc2ccc(O)cc12
COc1ccc(OC)c(c1)C(=O)c1coc2ccc(O)cc12
Oc1cccc(c1)C(=O)c1coc2ccc(O)cc12
Oc1ccc2occ(C(=O)c3ccccc3O)c2c1
COc1cc2c(C(=O)c3ccc(Br)cc3)c(C)oc2c2ccccc12
COc1ccc(cc1)C(=O)c1coc2c1cc(O)c1ccccc21
Oc1cc2c(coc2c2ccccc12)C(=O)c1ccc(Br)cc1
Cc1ccc(cc1)C(=O)c1coc2c1cc(O)c1ccccc21
Cc1cc2occ(C(=O)c3ccc(Cl)cc3)c2cc1O
Oc1cc2c(coc2c2ccccc12)C(=O)c1ccccc1
COc1ccc(OC)c(c1)C(=O)c1coc2cc(Br)c(O)c(Br)c12
Oc1c(Br)cc2occ(C(=O)c3ccc(OCc4ccccc4)cc3)c2c1Br
Oc1c(Br)cc2occ(C(=O)c3ccccc3)c2c1Br
CC(=O)Oc1ccc2occ(C(=O)c3ccccc3)c2c1
COc1ccc(OC)c(c1)C(=O)c1coc2ccc(OC(C)=O)cc12
COc1ccc(OC)c(c1)C(=O)c1coc2ccc(O)c(CN3CCOCC3)c12
Oc1ccc2occ(C(=O)c3ccccc3)c2c1CN1CCOCC1
Cc1oc2ccc(O)cc2c1C(=O)c1ccc(Br)cc1
Oc1ccc2occ(C(=O)c3ccc(Br)cc3)c2c1
O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccc2occc2c1
O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cc2ccccc2o1
O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cccc2cccnc12
O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2c1
O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccc2ccccc2n1
O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccncn1
O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccccc1
COc1ccc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)c(OC)c1
COc1cccc(c1)C(=O)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1
O=C(Cc1ccccc1)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1
O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)C1CCCC1
Oc1c(Br)cc(\C=N\NC(=O)c2ccc3cc(ccc3c2)-c2ccccc2)c(O)c1Br
Oc1c(Br)cc(\C=N\NC(=O)c2ccc3cc(ccc3c2)-c2ccco2)c(O)c1Br
COc1ccc2cc(ccc2c1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O
Oc1c(Br)cc(\C=N\NC(=O)c2ccc3cc(ccc3c2)C#N)c(O)c1Br
CS(=O)(=O)c1ccc2cc(ccc2c1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O
COc1c(Br)c(O)c(Br)cc1\C=N\NC(=O)c1ccc2cc(Br)ccc2c1
Oc1c(Br)cc(C=NNC(=O)c2ccc3cc(Br)ccc3c2)c(O)c1Br |w:6.5|
Oc1c(Br)cc(\C=N\NC(=O)c2ccc3ncccc3c2)c(O)c1Br
Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)C(F)(F)F)c(O)c1Br
Cc1ccc(cc1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O
Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccccn2)c(O)c1Br
Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2cccnc2)c(O)c1Br
Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccncc2)c(O)c1Br
Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccco2)c(O)c1Br
COc1c(Br)c(O)c(Br)cc1\C=N\NC(=O)c1ccc(cc1)-c1ccccc1
COc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccccc2)c(O)c1Br
Oc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2ccccc2)c(O)c1
Oc1c(Br)cc(\C=N\NC(=O)c2cccc(c2)-c2ccccc2)c(O)c1Br
Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccc3OCOc3c2)c(O)c1Br
Oc1ccc(cc1-c1ccc(cc1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O)C#N
Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccccc2C(F)(F)F)c(O)c1Br
c1ccc2cc(ccc2c1)C(=O)N/N=C/c3cc(c(c(c3O)Br)O)Br
Oc1cc2ccccc2cc1C(=O)NN=Cc1cc(Br)c(O)c(Br)c1O |w:15.17|
c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Cl
Oc1c(Br)cc(C=NNC(=O)c2ccc(cc2)-c2ccccc2)c(O)c1Br |w:6.5|
Oc1c(Br)cc(C=NNC(=O)c2ccc-3c(Cc4ccccc-34)c2)c(O)c1Br |w:6.5|
NC(=O)c1cc2ncnc(N3CCN(CCN4CCCC4)CC3)c2s1
NC(=O)c1cc2ncnc(N3CCC(CCN4CCCC4)CC3)c2s1
NC(=O)c1cc2ncnc(N3CCC(CN4CCCC4)CC3)c2s1
CS(=O)(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
CS(=O)(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2
CC(C)(C)C(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
CC(C)(C)C(=O)NCCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
CC(C)(C)C(=O)NCCC1CCN(CC1)c1ncnc2ccsc12
CNC(=O)c1cc2ncnc(N3CCC(CCNC(=O)C(C)(C)C)CC3)c2s1
CC(C)(C)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(O)=O
Cc1c(sc2c(ncnc12)N1CCC(CCNC(=O)C(C)(C)C)CC1)C(N)=O
CC(C)(C)C(=O)NCCC1CCN(CC1)c1nccc2cc(sc12)C(N)=O
CC(C)(C)C(=O)NCCC1CCN(CC1)c1ccnc2cc(sc12)C(N)=O
CC(C)(C)C(=O)NCCC1CCN(CC1)c1ncnc2cc(oc12)C(N)=O
CC(C)(C)C(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2
CC(C)(C)C(=O)NCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
CC(=S)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
CC(=S)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
CC(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
CC(=O)NCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
NC(=O)c1cc2ncnc(Cl)c2s1
CCNc1ncnc2cc(sc12)C(N)=O
NC(=O)c1cc2ncnc(N3CCCCC3)c2s1
NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
CC(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
CC(C)(C)OC(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
NC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4cccs4)CC3)c2s1
NC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4ccc(s4)C(O)=O)CC3)c2s1
CC(C)(C)OC(=O)c1ccc(s1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
CCNC(=O)c1ccc(s1)C(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
CCNC(=O)c1ccc(s1)C(=O)NCCC2CCN(CC2)c3c4c(cc(s4)C(=O)N)ncn3
CCNC(=O)c1cccc(c1)C(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
CCNC(=O)c1cccc(c1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
CCCCC[C@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 |r|
COc1ccc2[nH]cc(CCNC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc3ccccc3)c2c1 |r|
COc1ccc(cc1)C(=O)CNC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc1ccccc1 |r|
CC(=S)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1 |r|
CC(C)(C)c1ccc(cc1)C(=O)O
CCOC(=O)c1ccc2n(CCO)c(nc2c1)-c1ccc2OCOc2c1
CCOC(=O)c1ccc2n(CCO)c(nc2c1)-c1ccc(cc1)N1CCCCC1
CCOC(=O)c1ccc2n(CCO)c(nc2c1)-c1ccc(cc1)N(C)C
NC(=O)c1ccccc1Nc1cccc(c1)-c1cn(CCC2CCCC2)nn1
NC(=O)c1ccccc1Nc1ccc(cc1)-c1cn(Cc2ccccc2)nn1
Cc1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2cc(ccc12)-c1ccccc1
Cc1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2cc(Br)ccc12
COc1cc2ccccc2c(Cc2c([nH][nH]c2=O)-c2ccc(C)cc2)c1O
CC(C)c1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2nc(Cl)ccc12
Cc1ccc(cc1)-c1[nH]oc(=O)c1Cc1c(O)ccc2cc(Br)ccc12
O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1
O=C(NCc1nc(n[nH]1)-c1cccnc1)c1cnccn1
OC(=O)c1ccc(cc1)N1C(=O)CC(SC(=N)Nc2ccccc2)C1=O
CCOC(=O)c1ccc2n(CCCN3CCCC3=O)c(nc2c1)-c1ccc(cc1)N(C)C
CCOC(=O)c1ccc2n(c(nc2c1)-c1ccc(cc1)N(C)C)-c1ccccc1
CCOC(=O)c1ccc2n(c(nc2c1)-c1ccc(C)cc1)-c1ccccc1
NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccccc4)cccc23)c1
NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccncc4)cccc23)c1
NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4cccnc4)cccc23)c1
NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4cccc(c4)[N+]([O-])=O)cccc23)c1
Cc1ccc(cc1)C(=O)Nc1cccc2c(Oc3cncc(c3)C(N)=O)cccc12
Cc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc2c(Oc3cncc(c3)C(N)=O)cccc12
NC(=O)c1cncc(Oc2ccc3c(NC(=O)c4cccc(c4)[N+]([O-])=O)cccc3c2)c1
Cc1ccc(cc1)C(=O)Nc1cccc2cc(Oc3cncc(c3)C(N)=O)ccc12
Cc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc2cc(Oc3cncc(c3)C(N)=O)ccc12
NC(=O)c1cncc(Oc2ccc3c(NC(=O)c4ccccc4)cccc3c2)c1
NC(=O)c1cncc(Sc2cccc3ccccc23)c1
NC(=O)c1cncc(Oc2cccc3ccccc23)c1
NC(=O)c1cncc(Nc2cccc3ccccc23)c1
NC(=O)c1cncc(Sc2ccc3ccccc3c2)c1
NC(=O)c1cncc(Nc2ccc3ccccc3c2)c1
NC(=O)c1cncc(Oc2ccc3ccccc3c2)c1
Brc1ccncc1NC(=O)c1cccc(c1)-c1ccc2ccccc2c1
Brc1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCCC2)c1
C1Oc2ccc(cc2O1)-c1nn2c(nnc2s1)-c1ccco1
c1coc(c1)-c1nnc2sc(nn12)-c1cc2ccccc2o1
Fc1ccc(cc1)-c1ccc(o1)-c1nn2c(nnc2s1)-c1ccco1
C=CCOc1cccc(c1)-c1nn2c(nnc2s1)-c1ccco1
C=CCOc1ccc(cc1)-c1nn2c(nnc2s1)-c1ccco1
CCOc1cc(cc(OCC)c1OCC)-c1nn2c(nnc2s1)-c1ccco1
CCOc1ccccc1-c1nn2c(nnc2s1)-c1ccco1
CCOc1cccc(c1)-c1nn2c(nnc2s1)-c1ccco1
CCOc1ccc(cc1)-c1nn2c(nnc2s1)-c1ccco1
COc1cc(cc(OC)c1OC)-c1nn2c(nnc2s1)-c1ccco1
COc1ccc(cc1OC)-c1nn2c(nnc2s1)-c1ccco1
COc1cccc(c1)-c1nn2c(nnc2s1)-c1ccco1
COc1ccc(cc1)-c1nn2c(nnc2s1)-c1ccco1
Cc1cccc(c1)-c1nn2c(nnc2s1)-c1ccco1
Cc1ccc(cc1)-c1nn2c(nnc2s1)-c1ccco1
c1coc(c1)-c1nn2c(nnc2s1)-c1ccco1
c1coc(c1)-c1nnc2sc(nn12)-c1cccs1
c1coc(c1)-c1nnc2sc(nn12)-c1cnccn1
COc1ccc(OCc2nn3c(nnc3s2)-c2ccco2)cc1
Cc1ccc(OCc2nn3c(nnc3s2)-c2ccco2)cc1C
Cc1ccccc1OCc1nn2c(nnc2s1)-c1ccco1
Cc1cccc(OCc2nn3c(nnc3s2)-c2ccco2)c1
Cc1ccc(OCc2nn3c(nnc3s2)-c2ccco2)cc1
CCC(Oc1ccccc1)c1nn2c(nnc2s1)-c1ccco1
CC(Oc1ccccc1)c1nn2c(nnc2s1)-c1ccco1
C(Oc1ccccc1)c1nn2c(nnc2s1)-c1ccco1
C(Cc1ccccc1)c1nn2c(nnc2s1)-c1ccco1
C(c1nn2c(nnc2s1)-c1ccco1)c1ccc2OCCOc2c1
COc1ccc(Cc2nn3c(nnc3s2)-c2ccco2)cc1OC
COc1ccc(Cc2nn3c(nnc3s2)-c2ccco2)cc1
Clc1ccc(Cc2nn3c(nnc3s2)-c2ccco2)cc1
CCC(c1nn2c(nnc2s1)-c1ccco1)c1ccccc1
C(c1nn2c(nnc2s1)-c1ccco1)c1ccccc1
C1Oc2ccccc2OC1c1nn2c(nnc2s1)-c1ccco1
C1COc2cc(ccc2O1)-c1nn2c(nnc2s1)-c1ccco1
c1coc(c1)-c1nnc2sc(nn12)-c1ccccn1
c1coc(c1)-c1nnc2sc(nn12)-c1cccnc1
c1coc(c1)-c1nnc2sc(nn12)-c1ccncc1
c1coc(c1)-c1nnc2sc(nn12)-c1ccccc1
C(Cc1nn2c(nnc2s1)-c1ccco1)Cc1ccccc1
CCOc1ccccc1OCc1nn2c(nnc2s1)-c1ccco1
COc1ccccc1OCc1nn2c(nnc2s1)-c1ccco1
COc1cccc(OCc2nn3c(nnc3s2)-c2ccco2)c1
CCCCCCCCn1c2CCNCc2c2cc(ccc12)-c1cccc(C)c1
CCCCCCCCn1c2CCN(Cc3ccccc3)Cc2c2cc(ccc12)-c1cccc(C)c1
CCCCCCCCn1c2CCN(C)Cc2c2cc(ccc12)-c1cccc(C)c1
CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1cccc(C)c1)C(C)C
CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1cccc(C)c1)C(N)=O
CCCCCCCCn1c2CCNCc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
CCCCCCCCn1c2CCN(C)Cc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
CCCCCCCCn1c2CCNCc2c2cc(ccc12)-c1cnc(N)nc1
CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1cnc(N)nc1)C(N)=O
CCCCCCCCn1c2CCN(C)Cc2c2cc(ccc12)-c1cnc(N)nc1
CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1cnc(N)nc1)C(C)C
CC1(C)CC(C(N)=O)c2[nH]nc(c2C1)-c1ccc(Cl)cc1
NC(=O)C1CCCCc2c1[nH]nc2-c1ccc(Cl)cc1
Cn1c(cc2ccccc12)-c1n[nH]c2C(CCCc12)C(N)=O
NC(=O)C1CCCc2c1[nH]nc2-c1nc2ccccc2s1
NC(=O)C1CCCc2c1[nH]nc2-c1cc2ccccc2o1
NC(=O)C1CCCc2c1[nH]nc2-c1cc2ccccc2s1
NC(=O)C1CCCc2c1[nH]nc2-c1cc(Br)cs1
Cc1ccc(cc1)-c1n[nH]c2C(CCCc12)C(N)=O
NC(=O)C1CCCc2c1[nH]nc2-c1ccc(Br)cc1
NC(=O)C1CCCc2c1[nH]nc2-c1ccc(Cl)c(F)c1
NC(=O)C1CCCc2c1[nH]nc2-c1ccc(Cl)c(Cl)c1
NC(=O)C1CCCc2c1[nH]nc2-c1ccc(Cl)cc1
Cn1c(COCc2ccc(cc2)C(F)(F)F)c(\C=C2\C(=O)ON=C2C(F)(F)F)c2cc(F)ccc12 |c:23|
CC1=NOC(=O)\C1=C\c1c(COCc2ccc(cc2)C(F)(F)F)n(C)c2ccc(F)cc12 |t:1|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=S)NCCC(O)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=S)Nc1ccccc1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(C)NC(=S)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(N)=O |r|
CCNC(=S)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(N)=O |r|
CNC(=S)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(N)=S)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1ccc(Cn2ccnc2)cc1
O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1cccc(CCc2ccncc2)c1
Cn1c2ccc(cc2c(=O)n(C)c1=O)S(=O)(=O)Nc1ccc(Cc2ccncc2)cc1
CNCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC)c2occc12
Clc1ccc(Cl)c(c1)-c1ccc(\C=C(\C#N)C(=O)Nc2cccc3ncccc23)o1
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(N)=O |r|
CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CNC(=O)CCC(=O)NCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O |r|
CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CNC(=O)CCCCC(=O)NCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O |r|
CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CNC(=O)CCCCCCC(=O)NCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O |r|
CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O |r|
CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCCCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O |r|
CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O |r|
[H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC1=O)C(N)=O)[C@@H](C)CC |r|
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3ccncc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3cccnc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3ccccn3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-n3cnnc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-n3ccnc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-n3cccn3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-n3cccc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3nccs3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3cccs3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)C3CCCCC3)c2)c1
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
CC(C)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
CCc1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(F)c(F)c3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(F)cc3F)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccc(F)c3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccccc3F)c2)c1
Cc1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
Cc1cccc(c1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
Cc1ccccc1C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc4cn[nH]c4c3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc4cc[nH]c4c3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3c[nH]c4ccccc34)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3csc4ccccc34)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3nc4ccccc4s3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3cc4ccccc4o3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3cc4ccccc4s3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc4ccccc4c3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccc4ccccc34)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)\C=C\c3ccccc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)CCc3ccccc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)Cc3ccccc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccs3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccccc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)C3=CCCCC3)c2)c1 |t:18|
NC(=O)c1cncc(OCc2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)c1 |TLB:25:20:27:24.26.23,25:24:27:19.20.21,THB:23:22:19:25.24.26,23:24:19:27.21.22|
NC(=O)c1cncc(OCc2cccc(NC(=O)C3CCCCC3)c2)c1
CC(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
Cc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)N3CCOCC3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccnc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccncc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(nc3)-c3ccccc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)\C=C\c3ccncc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)\C=C\c3cccnc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)\C=C\c3ccccn3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccnn3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3cnccn3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccnnc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccncn3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccccn3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)N3CCNCC3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)N3CCCCC3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)N3CCCC3)c2)c1
CCN(CC)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
CCNc1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
CNc1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(nc3)-c3cccs3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(nc3)-c3ccco3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(nc3)-n3cccc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(nc3)-n3cccn3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(c(F)c3)-c3ccccc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(c(F)c3)-c3cccnc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(c(F)c3)-c3ccncc3)c2)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(Oc4ccccc4)cc3)c2)c1
CC(=O)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
CN(C)C(=O)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
CNC(=O)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
NC(=O)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)C(O)=O)c2)c1
COC(=O)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)C#C)c2)c1
O=C1CC(=S)NC(=O)\C1=C\c1cc2ccccc2[nH]1
Oc1ccccc1-c1nc2ccc(Cl)cn2c1NCc1ccc2OCOc2c1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](-[#8])=[#6](-[#6]-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]2=O)[C@@]1([#6])[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r,t:19,TLB:39:38:40.11.10:18.20.30|
CCCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
NC(=O)c1cccc(Nc2ccccc2)c1
[#7]-[#6]-1=[#6](C#N)\[#6](=[#6]-2\[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)-[#6](C#N)=[#6](-[#7]-1)-[#16]-[#6]-[#6](=O)-c1ccc(-[#8])c(-[#8])c1 |c:1,7,11,16|
CN(C)\C=N\C(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
Cc1ccc2[nH]c3C(CCCc3c2c1)C(O)=O
Cn1ncnc2c1nc(=O)n(C)c2=O
Fc1cccc(c1)-n1cc(CSC(=S)N2CCN(CC2)C(=S)SCc2cn(nn2)-c2ccccc2F)nn1
[#6]-[#6](-[#6])-[#6](=O)[C@@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])=[#6](-[#8]-[#6]-[#6](-[#8])=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,t:13,TLB:42:41:8.14.6:26.27.33|
Cc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1
CC(C)C(=O)[C@@]12C(O)=C(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O |t:7,TLB:24:23:37:6.14.8,9:8:37:29.23.22,THB:30:29:37:6.14.8,7:6:37:29.23.22,15:14:37:29.23.22,31:29:37:6.14.8|
Nc1cc(NC(=O)Nc2cccc(c2)C(=O)Nc2cccc(c2)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc(c1)C(=O)Nc1cccc(c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)\C=C\c1ccc(O)c(O)c1
COc1ccc2[nH]c3C(CCCc3c2c1)C(O)=O |w:8.17|
Brc1ccc2c3CC(C(=O)Oc3ccc2c1)c1ccccc1
[#6]-[#8]-[#6]1=[#6](-[#6](=O)-c2ccccc2)-[#6](=O)[C@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6]-[#6@@H](-[#6](-[#8])=O)C([#6])([#6])[C@@]1([#6]\[#6]=[#6](\[#6])-[#6])[#6]2=O |r,c:2,TLB:35:34:25.20.21:2.12.3|
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](-[#8])=[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]2=O)[C@@]1([#6])[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r,t:19,THB:40:39:20.18.31:41.11.10|
CC(=S)NCCCC[C@@H]1NC(=O)CNC(=O)CCCCCCC(=O)NCCCC[C@H](NC1=O)C(N)=O |r|
CC(=S)NCCCC[C@@H]1NC(=O)[C@H](Cc2csc3ccccc23)NC(=O)CCCCCCC(=O)NCCCC[C@H](NC1=O)C(N)=O |r|
CC(=S)NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCCCCCC(=O)NCCC[C@H](NC1=O)C(N)=O |r|
CC(=S)NCCCC[C@@H]1NC(=O)[C@H](Cc2csc3ccccc23)NC(=O)CCCCCCC(=O)NC[C@H](NC1=O)C(N)=O |r|
CC(=S)NCCCC[C@@H]1NC(=O)[C@H](Cc2csc3ccccc23)NC(=O)CCCCCCC(=O)NCCC[C@H](NC1=O)C(N)=O |r|
CCCC[C@@H]1NC(=O)CCCCCCC(=O)NC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC1=O)C(N)=O |r|
CCCC[C@@H]1NC(=O)CCCCCCC(=O)NCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC1=O)C(N)=O |r|
CC(=S)NCCCC[C@@H]1NC(=O)CNCCC(=O)NCCCC[C@H](NC1=O)C(N)=O |r|
CC(=S)NCCCC[C@@H]1NC(=O)[C@H](Cc2csc3ccccc23)NC(=O)CCCCCCC(=O)NCC[C@H](NC1=O)C(N)=O |r|
CC(=S)NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCCCCCC(=O)NCC[C@H](NC1=O)C(N)=O |r|
CCCC[C@@H]1NC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC1=O)C(N)=O |r|
CC(=S)NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCCCCCC(=O)NCCCC[C@H](NC1=O)C(N)=O |r|
CCCC[C@@H]1NC(=O)CCCCCCC(=O)NCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC1=O)C(N)=O |r|
CC(=S)NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCCCCCC(=O)NC[C@H](NC1=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCSCc1ccccc1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CNC(=O)CI)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCSc1cccc2ccccc12)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CSc1nc2ccccc2s1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCSc1nc2ccccc2o1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCCCSc1nc2c(N)ncnc2[nH]1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCSc1ccc2ccccc2c1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CI)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCCCSc1nc2ccccc2s1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCCSc1nc2ccccc2s1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CSc1ncc(s1)-c1ccccc1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CSCc1ccccc1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCSc1nc2ccccc2s1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCSc1nc2ccccc2s1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CSc1nnc(\C=C\c2ccccc2)[nH]1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CNC(=O)CNC(=O)CSc1nc2ccccc2s1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCSc1nc2c(N)ncnc2[nH]1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCSc1ncc(s1)-c1ccccc1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)CCCCCSc1nc2ccccc2[nH]1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|