301 SMILES Strings for Elastase

Compound Name
SMILES String
NC(=O)c3cccc4sc(CNC(=O)C2(CC(=O)O)Cc1ccccc1C2)nc34
O=C(O)CC1(C(=O)NCc2nc3c(C(=O)N4CCCC4)cccc3s2)Cc2ccccc2C1
O=C(O)CC1(C(=O)NCc2nc3c(S(=O)(=O)N4CCCC4)cccc3s2)Cc2ccccc2C1
NS(=O)(=O)c3cccc4sc(CNC(=O)C2(CC(=O)O)Cc1ccccc1C2)nc34
O=C(O)CC5(C(=O)CCc3nc2c(S(=O)(=O)N1CCNCC1)cccc2s3)Cc4ccccc4C5
NC5CCN(S(=O)(=O)c3cccc4sc(CNC(=O)C2(CC(=O)O)Cc1ccccc1C2)nc34)C5
CS(=O)(=O)c3cccc4sc(CNC(=O)C2(CC(=O)O)Cc1ccccc1C2)nc34
COc4cc3sc(CNC(=O)C2(CC(=O)O)Cc1ccccc1C2)nc3cc4OCC(=O)N5CCN(C)CC5
COc4cc3sc(CNC(=O)C2(CC(=O)O)Cc1ccccc1C2)nc3cc4OCCN5CCOCC5
COc4cc3sc(CNC(=O)C2(CC(=O)O)Cc1cc(F)c(F)cc1C2)nc3cc4OCCN5CCOCC5
COc4cc3sc(CNC(=O)C2(CC(=O)O)Cc1cc(F)c(F)cc1C2)nc3cc4OCC5CCN(C)CC5
COc4cc3sc(CNC(=O)C2(CC(=O)O)Cc1cc(F)c(F)cc1C2)nc3cc4OCC(=O)N5CCN(C)CC5
COc1cc2sc(CNC(=O)C3(CC(=O)[O-])Cc4cc(F)c(F)cc4C3)nc2cc1OCC[N+]1(C)CCOCC1
COc1cc2sc(CNC(=O)C3(CC(=O)[O-])Cc4cc(F)c(F)cc4C3)nc2cc1OCC(=O)N1CC[N+](C)(C)CC1
COc1cc2sc(CNC(=O)C3(CC(=O)[O-])Cc4cc(F)c(F)cc4C3)nc2cc1OCCC[N+]1(C)CCOCC1
COc1cc2sc(CNC(=O)C3(CC(=O)[O-])Cc4ccccc4C3)nc2cc1OCCC[N+]1(C)CCOCC1
COc1cc2sc(CNC(=O)C3(CC(=O)[O-])Cc4ccccc4C3)nc2cc1OCC1CC[N+](C)(C)CC1
CC[N+](C)(CC)CCCOc1cc2nc(CNC(=O)C3(CC(=O)[O-])Cc4ccccc4C3)sc2cc1OC
COc1cc2sc(CNC(=O)C3(CC(=O)[O-])Cc4cc(F)c(F)cc4C3)nc2cc1OCCC[N+]1(C)CCCC1
COc1cc2sc(CNC(=O)C3(CC(=O)[O-])Cc4ccccc4C3)nc2cc1OCCC[N+](C)(C)CCO
COc4cc3sc(CNC(=O)C2(CC(=O)[O-])Cc1cc(F)c(F)cc1C2)nc3cc4OCCC[N+](C)(C)CCO
COc4cc3sc(CNC(=O)C2(CC(=O)[O-])Cc1ccccc1C2)nc3cc4OCCC[N+](C)(CCO)CCO
COc4cc3sc(CNC(=O)C2(CC(=O)[O-])Cc1cc(F)c(F)cc1C2)nc3cc4OCCC[N+](C)(CCO)CCO
CN5CCN(C(=O)COc4ccc3sc(CNC(=O)C2(CC(=O)O)Cc1ccccc1C2)nc3c4)CC5
CN5CCN(CCOc4ccc3sc(CNC(=O)C2(CC(=O)O)Cc1ccccc1C2)nc3c4)CC5
CN(C)C1CN(C(=O)c2ccc3nc(CNC(=O)C4(CC(=O)O)Cc5ccccc5C4)sc3c2)C1
CN5CCN(C(=O)c4ccc3sc(CNC(=O)C2(CC(=O)O)Cc1ccccc1C2)nc3c4)CC5
CN(C)CCNC(=O)c4ccc3sc(CNC(=O)C2(CC(=O)O)Cc1ccccc1C2)nc3c4
CN5CCN(C(=O)c4ccc3nc(CNC(=O)C2(CC(=O)O)Cc1ccccc1C2)sc3c4)CC5
CN(C)CCNC(=O)c4ccc3nc(CNC(=O)C2(CC(=O)O)Cc1ccccc1C2)sc3c4
CN(C)CCCN5CCN(C(=O)c4ccc3sc(CNC(=O)C2(CC(=O)O)Cc1ccccc1C2)nc3c4)CC5
CN(C)C5CN(C(=O)c4ccc3sc(CNC(=O)C2(CC(=O)O)Cc1ccccc1C2)nc3c4)C5
COc4cc3sc(CNC(=O)C2(CC(=O)O)Cc1ccccc1C2)nc3cc4C(=O)N5CCN(C)CC5
COc1cc2sc(CNC(=O)C3(CC(=O)O)Cc4cc(F)c(F)cc4C3)nc2cc1C(=O)N1CCN(C)CC1
COc1cc2sc(CNC(=O)C3(CC(=O)[O-])Cc4cc(F)c(F)cc4C3)nc2cc1C(=O)N1CC[N+](C)(C)CC1
COc1cc2sc(CNC(=O)C3(CC(=O)O)Cc4ccccc4C3)nc2cc1C(=O)N1CC(N(C)C)C1
COc1cc2sc(CNC(=O)C3(CC(=O)O)Cc4cc(F)c(F)cc4C3)nc2cc1C(=O)N1CC(N(C)C)C1
COc1cc2sc(CNC(=O)C3(CC(=O)O)Cc4ccccc4C3)nc2cc1C(=O)N1CCC(N(C)C)CC1
COc1cc2sc(CNC(=O)C3(CC(=O)[O-])Cc4ccccc4C3)nc2cc1C(=O)N1CCC([N+](C)(C)C)CC1
COc1cc2sc(CNC(=O)C3(CC(=O)O)Cc4ccccc4C3)nc2cc1C(=O)N1CCOC(CN(C)C)C1
COc1cc2sc(CNC(=O)C3(CC(=O)[O-])Cc4ccccc4C3)nc2cc1C(=O)N1CCOC(C[N+](C)(C)C)C1
COc1cc2sc(CNC(=O)C3(CC(=O)[O-])Cc4ccccc4C3)nc2cc1C(=O)N1CC([N+](C)(C)C)C1
COc1cc2sc(CNC(=O)C3(CC(=O)[O-])Cc4cc(F)c(F)cc4C3)nc2cc1C(=O)N1CC([N+](C)(C)C)C1
COc1cc2sc(CNC(=O)C3(CC(=O)[O-])Cc4cc(F)c(F)cc4C3)nc2cc1OCC1CC[N+](C)(C)CC1
COc1cc2sc(CNC(=O)C3(CC(=O)O)Cc4ccccc4C3)nc2cc1S(=O)(=O)N1CCN(C)CC1
COc1cc2sc(CNC(=O)C3(CC(=O)O)Cc4ccccc4C3)nc2cc1S(=O)(=O)N1CCC(N(C)C)CC1
COc1cc2sc(CNC(=O)C3(CC(=O)[O-])Cc4ccccc4C3)nc2cc1S(=O)(=O)N1CCC([N+](C)(C)C)CC1
N#Cc1ccc2nc(CNC(=O)C3(CC(=O)O)Cc4ccccc4C3)sc2c1
N#Cc1ccc2sc(CNC(=O)C3(CC(=O)O)Cc4ccccc4C3)nc2c1
CC(C)CC(C(=O)NO)C(=O)Nc1ccc(CN=[N+]=[N-])cc1
CC(C)CC(C(=O)NO)C(=O)Nc4ccc(Cn3cc(CNS(=O)(=O)c2ccc(c1ccccc1)cc2)nn3)cc4
CC(=O)Nc1ccccc1OCc3cn(Cc2ccc(NC(=O)C(CC(C)C)C(=O)NO)cc2)nn3
CC(C)CC(C(=O)NO)C(=O)Nc1ccc(Cn2cc(C3CSCN3C(=O)c3ccc(F)cc3)nn2)cc1
CC(C)CC(C(=O)NO)C(=O)Nc4ccc(Cn3cc(CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C)nn3)cc4
CC(C)CC(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CNS(=O)(=O)c1ccc(I)cc1)nn2)cc3
CC(C)CC(C(=O)NO)C(=O)Nc1ccc(Cn2cc(CN(C)S(=O)(=O)c3ccc(I)cc3)nn2)cc1
CC(C)CC(C(=O)NO)C(=O)Nc1ccc(Cn2cc(CN3C(=O)c4ccccc4S3(=O)=O)nn2)cc1
CC(C)CC(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CNC(=O)c1ccc(I)cc1)nn2)cc3
CC(C)CC(C(=O)NO)C(=O)Nc2ccc(Cn1cc(CNC(=O)OC(C)(C)C)nn1)cc2
CC(C)CC(C(=O)NO)C(=O)Nc1ccc(Cn2cc(CN)nn2)cc1
CC(C)CC(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CNc1ccc(I)cc1)nn2)cc3
CC(C)CC(C(=O)NO)C(=O)Nc1ccc(Cn2cc(COc3ccc(Cl)cc3)nn2)cc1
CC(C)CC(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CSc1ccc(Cl)cc1)nn2)cc3
CC(C)CC(C(=O)NO)C(=O)Nc1ccc(Cn2cc(Cc3ccc(Cl)cc3)nn2)cc1
CC(C)CC(C(=O)NO)C(=O)Nc1ccc(Cn2cc(-c3ccc(I)cc3)nn2)cc1
CC(C)CC(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CNS(=O)(=O)c1ccc(F)cc1)nn2)cc3
CC(C)CC(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CNS(=O)(=O)c1ccc(Cl)cc1)nn2)cc3
COc3ccc(S(=O)(=O)NCc2cn(Cc1ccc(NC(=O)C(CC(C)C)C(=O)NO)cc1)nn2)cc3
CC(C)CC(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CNS(=O)(=O)c1ccccc1Cl)nn2)cc3
CC(C)CC(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CNS(=O)(=O)c1cccc(Cl)c1)nn2)cc3
CC(C)CC(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)nn2)cc3
CC(C)CC(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CNS(=O)(=O)Cc1ccc(Cl)cc1)nn2)cc3
CC(C)CC(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CNS(=O)(=O)c1ccccc1)nn2)cc3
CC(C)CC(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CNS(=O)(=O)C1CCCCC1)nn2)cc3
CC(C)CC(C(=O)NO)C(=O)Nc2ccc(Cn1cc(CNS(=O)(=O)CC(C)C)nn1)cc2
CC(C)C(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CNS(=O)(=O)c1ccc(I)cc1)nn2)cc3
O=C(NO)C(CC1CC1)C(=O)Nc4ccc(Cn3cc(CNS(=O)(=O)c2ccc(I)cc2)nn3)cc4
O=C(NO)C(Cc1ccccc1)C(=O)Nc4ccc(Cn3cc(CNS(=O)(=O)c2ccc(I)cc2)nn3)cc4
CC(C)CC(C(=O)NO)C(=O)Nc1ccc(Cn2nncc2CNC(=O)OC(C)(C)C)cc1
CC(C)CC(C(=O)NO)C(=O)Nc1ccc(Cn2nncc2CNS(=O)(=O)c2ccc(I)cc2)cc1
CC(C)CC(C(=O)NO)C(=O)Nc1ccc(Cn2nncc2CNS(=O)(=O)c2ccc(F)cc2)cc1
CC(C)CC(C(=O)NO)C(=O)Nc1ccc(Cn2nncc2CNS(=O)(=O)CC(C)C)cc1
CC(=O)c3ccc(S(=O)(=O)NCc2cn(Cc1ccc(NC(=O)C(CC(C)C)C(=O)NO)cc1)nn2)cc3
COC(=O)c3ccc(S(=O)(=O)NCc2cn(Cc1ccc(NC(=O)C(CC(C)C)C(=O)NO)cc1)nn2)cc3
COCCOc3ccc(S(=O)(=O)NCc2cn(Cc1ccc(NC(=O)C(CC(C)C)C(=O)NO)cc1)nn2)cc3
CC(C)CC(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CNS(=O)(=O)c1ccc(OC(C)C)cc1)nn2)cc3
CC(C)CC(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CNS(=O)(=O)c1ccc(C(C)C)cc1)nn2)cc3
CC(C)CC(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CNS(=O)(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)nn2)cc3
CC(C)CC(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CNS(=O)(=O)c1ccc(C(=O)O)cc1)nn2)cc3
CC(C)CC(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CNS(=O)(=O)c1ccc(N)cc1)nn2)cc3
CC(C)CCC(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CNS(=O)(=O)c1ccc(I)cc1)nn2)cc3
CC(C(=O)NO)C(=O)Nc3ccc(Cn2cc(CNS(=O)(=O)c1ccc(I)cc1)nn2)cc3
Cc1c(O)c(=S)ccn1Cc1ccc(cc1)-c1ccc(F)cc1
Cc1ccc(cc1)-c1ccc(Cn2ccc(=S)c(O)c2C)cc1
Cc1c(O)c(=S)ccn1Cc1ccc(cc1)-c1ccc(F)c(F)c1
Cc1c(O)c(=S)ccn1C
ONC(=O)Cc1ccccc1
CCc1c(O)c(=S)ccn1CC
Cc1c(O)c(=S)ccn1Cc1ccc(cc1)-c1ccc2OCOc2c1
CN1C=CC=C(C1=S)O
Cc1c(O)c(=S)ccn1Cc1ccc(cc1)-c1ccc(Cl)cc1
COc1ccc(cc1)-c1ccc(Cn2ccc(=S)c(O)c2C)cc1
ONC(=O)Cc1cccc(F)c1
CCn1ccc(=S)c(O)c1C
Cc1c(O)c(=S)ccn1Cc1ccc(cc1)-c1ccccc1
COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)CC(=O)NO
COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)CC(=O)NCCc1ccc(cc1)S(N)(=O)=O
ONC(=O)CN(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1
ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
ONC(=O)CN(CC(=O)NCCCN1CCN(CC1)c1ccccc1)Cc1ccccc1
NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1
ONC(=O)CN(CC(O)=O)Cc1ccc(cc1)[N+]([O-])=O
ONC(=O)CN(CC(O)=O)Cc1ccc(cc1)-c1ccccc1
ONC(=O)CN(CC(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1
ONC(=O)CN(CC(O)=O)NCCCN1CCN(CC1)c1ccccc1
NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)Cc2ccccc2)cc1
NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
CC(C)[C@@H](N(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)CC(=O)NCCc1ccc(cc1)S(N)(=O)=O
O=C(Cn1cc(nn1)C1CCCC1)N[C@H]1CCOC1=O |r|
O=C(Cn1cc(nn1)C1CC1)N[C@H]1CCOC1=O |r|
[N-]=[N+]=Nc1ccc(cc1)C(=O)N[C@H]1CCOC1=O |r|
O=C(Cn1cc(CSc2ccccc2)nn1)N[C@H]1CCOC1=O |r|
O=Cc1cccc(c1)-n1cc(CCC(=O)N[C@H]2CCOC2=O)nn1 |r|
CCCc1cn(CC(=O)N[C@H]2CCOC2=O)nn1 |r|
O=C(Cn1cc(nn1)C1CCCCC1)N[C@H]1CCOC1=O |r|
O=C(Cn1cc(nn1)-c1ccsc1)N[C@H]1CCOC1=O |r|
CCCCCCc1cn(CC(=O)N[C@H]2CCOC2=O)nn1 |r|
c1cc(c(cc1NC(=O)CS)Cl)Cl
SC1CC(=O)N(C1=O)c1ccccc1
Cc1ccc(cc1)N1C(=O)CC(S)C1=O
Cc1ccc(cc1C)N1C(=O)CC(S)C1=O
SC1CC(=O)N(C1=O)c1ccccc1Cl
SC1CC(=O)N(C1=O)c1cccc(Cl)c1
SC1CC(=O)N(C1=O)c1ccc(Cl)cc1
SC1CC(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
SC1CC(=O)N(C1=O)c1c(Cl)cccc1Cl
Fc1ccc(cc1F)N1C(=O)CC(S)C1=O
Cc1ccc(Cl)cc1N1C(=O)CC(S)C1=O
Cc1ccc(Cl)c(C)c1N1C(=O)CC(S)C1=O
COc1ccccc1N1C(=O)CC(S)C1=O
COc1cccc(c1)N1C(=O)CC(S)C1=O
COc1ccc(cc1)N1C(=O)CC(S)C1=O
COc1ccc(N2C(=O)CC(S)C2=O)c(OC)c1
COc1ccc(cc1OC)N1C(=O)CC(S)C1=O
FC(F)(F)Oc1ccc(cc1Cl)N1C(=O)CC(S)C1=O
[O-][N+](=O)c1cccc(c1)N1C(=O)CC(S)C1=O
CC(=O)c1ccc(cc1)N1C(=O)CC(S)C1=O
SC1CC(=O)N(C1=O)c1cccc(c1)-c1ccccc1
SC1CC(=O)N(C1=O)c1ccc(cc1)-c1ccccc1
COc1ccc(cc1)N1C(=O)CC(SC(C)=O)C1=O
CC(=O)SC1CC(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
CC(=O)SC1CC(=O)N(C1=O)c1ccc(OC(F)(F)F)c(Cl)c1
CC(=O)SCC1CC(=O)N(C1=O)c1ccccc1
CC(=O)SCC1CC(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
CC(=O)SCC1CC(=O)N(C1=O)c1ccc(cc1)C(C)=O
COc1ccc(cc1)N1C(=O)CC(CSC(C)=O)C1=O
SCC1CC(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Fc1ccc(cc1F)N1C(=O)CC(CS)C1=O
CC(=O)c1ccc(cc1)N1C(=O)CC(CS)C1=O
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS |r|
SCC(=O)Nc1ccccc1
SCC(=O)Nc1ccccc1Cl
c1cc(cc(c1)Cl)NC(=O)CS
SCC(=O)Nc1ccc(Cl)cc1
Cc1ccccc1NC(=O)CS
Cc1cccc(NC(=O)CS)c1
Cc1ccc(NC(=O)CS)cc1
COc1ccc(NC(=O)CS)cc1
OCCc1ccc(NC(=O)CS)cc1
NS(=O)(=O)c1ccc(NC(=O)CS)cc1
CC(=O)c1ccc(cc1)NC(=O)CS
Cc1ccc(Cl)c(C)c1NC(=O)CS
NC(=O)SCC(=O)Nc1ccc(Cl)c(Cl)c1
NC(=O)SCC(=O)Nc1ccccc1Cl
NC(=O)SCC(=O)Nc1cccc(Cl)c1
NC(=O)SCC(=O)Nc1ccc(Cl)cc1
Cc1cccc(NC(=O)CSC(N)=O)c1
Cc1ccc(NC(=O)CSC(N)=O)cc1
COc1ccc(NC(=O)CSC(N)=O)cc1
CC(=O)c1ccc(NC(=O)CSC(N)=O)cc1
CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Oc1ccc(NC(=O)Nc2cccc3ccccc23)ccc1=O
CC(=O)SCC(=O)Nc1cc(C)c(Br)cc1Cl
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CS |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6]-[#16])-[#6](-[#7])=O |r|
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CS |r|
CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)CS)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CS)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CS)C(N)=O |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#16])-[#6](-[#7])=O |r|
NC(=O)CC[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CS)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CS)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CS)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CS)C(N)=O |r|
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CS |r|
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CS |r|
CC(C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CS)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CS)C(N)=O |r|
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#16])-[#6](-[#7])=O |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
NC(N)=NCCC[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:7.7,wD:16.15,(-1.26,-7.05,;-2.59,-7.82,;-3.93,-7.05,;-2.59,-9.36,;-3.93,-10.13,;-3.93,-11.67,;-5.26,-12.44,;-5.26,-13.98,;-6.6,-14.75,;-7.93,-13.98,;-7.93,-12.44,;-9.26,-14.75,;-10.6,-13.98,;-3.93,-14.75,;-3.93,-16.29,;-2.59,-13.98,;-1.26,-14.75,;-1.26,-16.29,;.07,-17.06,;.24,-18.6,;1.75,-18.92,;2.51,-17.59,;4.01,-17.27,;4.49,-15.81,;3.45,-14.67,;1.96,-14.99,;1.49,-16.44,;.07,-13.98,;1.41,-14.75,;.07,-12.44,)|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](-[#7])=O |r|
NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CS)C(N)=O |r|
NCCCC[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CS)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CS)C(N)=O |r|
NCCCC[C@H](NC(=O)CS)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
CC[C@@H](C)[C@H](NC(=O)CS)C(=O)N[C@@H](CCCCN)C(N)=O |r|
CC[C@@H](C)[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
CC[C@@H](C)[C@H](NC(=O)CS)C(=O)N[C@@H](C(C)C)C(N)=O |r|
CC[C@@H](C)[C@H](NC(=O)CS)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
CC[C@@H](C)[C@H](NC(=O)CS)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CS)C(N)=O |r|
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CS |r|
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CS |r|
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CS)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CS)C(N)=O |r|
CC(C)C[C@H](NC(=O)CS)C(=O)N[C@@H](CCCCN)C(N)=O |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
CC(C)C[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CS)C(N)=O |r|
CC(C)C[C@H](NC(=O)CS)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS)C(N)=O |r|
NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS)C(N)=O |r,wU:11.23,wD:7.7,(23.21,-8.56,;21.88,-7.79,;20.54,-8.56,;21.88,-6.25,;20.54,-5.48,;20.54,-3.94,;19.21,-3.17,;19.21,-1.63,;17.88,-.86,;16.54,-1.63,;16.54,-3.17,;15.21,-.86,;15.21,.68,;16.54,1.45,;17.94,.83,;18.97,1.98,;18.2,3.3,;18.68,4.76,;17.66,5.91,;16.15,5.59,;15.67,4.13,;16.7,2.99,;13.88,-1.63,;12.54,-.86,;12.54,.68,;11.21,-1.63,;9.87,-.86,;20.54,-.86,;21.88,-1.63,;20.54,.68,)|
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS |r|
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS |r|
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS)C(N)=O |r|
NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS |r|
CC(=O)CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS)C(N)=O |r|
C[C@H](NC(=O)CS)C(=O)N[C@@H](CCCCN)C(N)=O |r|
[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
C[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)CS)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CS)C(N)=O |r|
C[C@H](NC(=O)CS)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
CSCC[C@H](NC(=O)CS)C(=O)N[C@@H](CCCCN)C(N)=O |r|
[#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
CSCC[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CSCC[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
CSCC[C@H](NC(=O)CS)C(=O)N[C@@H](C(C)C)C(N)=O |r|
CSCC[C@H](NC(=O)CS)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CS)C(N)=O |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#16])-[#6](-[#7])=O |r|
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CS |r|
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CS)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CS)C(N)=O |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6]-[#16])-[#6](-[#7])=O |r|
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)CS |r|
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)CS |r|
CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)CS)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CS)C(N)=O |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#16])-[#6](-[#7])=O |r|
NC(=O)C[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
NC(=O)C[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CS)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CS)C(N)=O |r|
CC(C)[C@H](NC(=O)CS)C(=O)N[C@@H](CCCCN)C(N)=O |r|
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
CC(C)[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)CS)C(C)C)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CS)C(C)C)C(N)=O |r|
NCCCC[C@H](NC(=O)CNC(=O)CS)C(N)=O |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#16])-[#6](-[#7])=O |r|
NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CS |r|
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CS |r|
CC(C)[C@H](NC(=O)CNC(=O)CS)C(N)=O |r|
CC(C)C[C@H](NC(=O)CNC(=O)CS)C(N)=O |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6]-[#16])-[#6](-[#7])=O |r|
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CS |r|
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CS |r|
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CS)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CS)C(N)=O |r|
NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CS |r|
CC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CS)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CS)C(N)=O |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#16])-[#6](-[#7])=O |r|
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)CS |r|
CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CS)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CS)C(N)=O |r|
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CS |r|
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)CS |r|
CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CS)C(N)=O |r|
[#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
C[C@@H](O)[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
C[C@@H](O)[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)CS)[C@@H](C)O)C(N)=O |r|
NCCCC[C@H](NC(=O)[C@H](CS)NC(=O)CS)C(N)=O |r|
COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:19:20:23:27.18.26,19:18:21.20.25:23,17:18:21.20.25:23|
CCCCC(NOCc1ccccc1)C(=O)NO
CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(Br)s1
ONC(=O)[C@@H](CCN1C(=O)c2ccccc2C1=O)NC(=O)c1ccc(Oc2ccccc2)cc1 |r|
ONC(=O)Cc1ccccc1S(=O)(=O)c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1
COc1ccc(cc1)S(=O)(=O)c1ccccc1CC(=O)NO
ONC(=O)CCNS(=O)(=O)c1ccc(cc1)-c1ccccc1
CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](C(C)C)C(=O)NO |r|
CC(C)ON([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1