Compound Name

SMILES String

CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N

N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccnc(c2)-c2cc(ccn2)C(O)=O)cc1

N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(O)c3ncccc23)cc1

c1cn(nn1)C2=CNN(C2=O)c3cc(ncn3)N4CCOCC4

Cc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccccc3

CC(C)(C)OC(=O)c1ccc(nc1)-n1[nH]cc(-n2ccnn2)c1=O

OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1

C1CCC(CC1)N2C(=C(C(=O)N(C2=O)C3CCCCC3)C(=O)NCC(=O)O)O

OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(O)=O |r|

OC(=O)c1c[nH]c(=S)[nH]c1=O

CSc1ncc(C(O)=O)c(=O)[nH]1

CCCCSc1ncc(C(O)=O)c(=O)[nH]1

CCCCCSc1ncc(C(O)=O)c(=O)[nH]1

CCCCCCCCCSc1ncc(C(O)=O)c(=O)[nH]1

OC(=O)c1cnc(SCC2CCCCC2)[nH]c1=O

OC(=O)c1cnc(SCc2ccccc2)[nH]c1=O

c1ccc(cc1)C(=O)CSC2=NC=C(C(=O)N2)C(=O)O

OC(=O)c1cnc(SCCc2ccccc2)[nH]c1=O

OC(=O)c1cnc(SCCCc2ccccc2)[nH]c1=O

OC(=O)c1cnc(SCCCCc2ccccc2)[nH]c1=O

CCOC(=O)\C=C/Sc1ncc(C(O)=O)c(=O)[nH]1

OC(=O)\C=C/Sc1ncc(C(O)=O)c(=O)[nH]1

C(C(=O)O)NC(=O)C(=O)O

O[C@H](CCC(O)=O)C(O)=O |r|

O[C@@H](CCC(O)=O)C(O)=O |r|

OC(=O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O

c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+](=O)[O-]

OC(=O)CNC(=O)c1nc(Nc2ccc(cn2)[N+]([O-])=O)ccc1O

Nc1ccc(Nc2ccc(O)c(n2)C(=O)NCC(O)=O)cc1

OC(=O)CNC(=O)c1nc(Nc2ccc3ccccc3c2)ccc1O

OC(=O)CNC(=O)c1nc(Nc2ccc(cc2)C(O)=O)ccc1O

COC(=O)c1ccc(Nc2ccc(O)c(n2)C(=O)NCC(O)=O)cc1

CNC(=O)c1ccc(Nc2ccc(O)c(n2)C(=O)NCC(O)=O)cc1

CN(C)C(=O)c1ccc(Nc2ccc(O)c(n2)C(=O)NCC(O)=O)cc1

C(C(=O)O)C(CC(=O)O)(C(=O)O)O

C(CC(=O)O)C(=O)O

OC(=O)CC(C(O)=O)C(O)=O

C(=C/C(=O)O)\C(=O)O

C([C@@H](C(=O)O)O)C(=O)O

c1cnc(cc1C(=O)O)C(=O)O

COc1ccc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)cc1OCCN1CCC(C)CC1 |c:18|

COc1ccc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)cc1OCCN1CCOCC1 |c:18|

COc1ccc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)cc1OCCN1CCN(C)CC1 |c:18|

COc1ccc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)cc1OCCN1CCCC1 |c:18|

COc1ccc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)cc1OCCCN1CCCCC1 |c:18|

COc1ccc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)cc1OCCCN1CCC(C)CC1 |c:18|

COc1ccc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)cc1OCCCN1CCOCC1 |c:18|

COc1ccc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)cc1OCCCN1CCN(C)CC1 |c:18|

COc1ccc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)cc1OCCCN1CCCC1 |c:18|

CCN(CC)CCCOc1cc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)ccc1OC |c:24|

COc1cc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)ccc1OCCN1CCCCC1 |c:17|

COc1cc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)ccc1OCCN1CCC(C)CC1 |c:17|

COc1cc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)ccc1OCCN1CCOCC1 |c:17|

COc1cc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)ccc1OCCN1CCN(C)CC1 |c:17|

COc1cc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)ccc1OCCN1CCCC1 |c:17|

CCN(CC)CCOc1ccc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)cc1OC |c:24|

COc1cc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)ccc1OCCCN1CCCCC1 |c:17|

COc1cc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)ccc1OCCCN1CCC(C)CC1 |c:17|

COc1cc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)ccc1OCCCN1CCOCC1 |c:17|

COc1cc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)ccc1OCCCN1CCN(C)CC1 |c:17|

COc1cc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)ccc1OCCCN1CCCC1 |c:17|

CCN(CC)CCCOc1ccc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)cc1OC |c:25|

COc1ccc(\C=C\C(=O)c2ccc3OC(C)(C)C=Cc3c2O)cc1O |c:18|

c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O

COc1ccccc1\C=C1/SC(=S)N(CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)C1=O

OC(=O)CCN1C(=S)S\C(=C\c2ccc(o2)-c2ccc(Cl)cc2)C1=O

CCSc1ccc(cc1)-c1nn(cc1\C=C1\SC(=S)N(CC(O)=O)C1=O)-c1ccccc1

O=C(CCN1C(=S)S\C(=C\C=C\c2ccco2)C1=O)Nc1cccc2nonc12

COc1cccc(\C=C2/SC(=S)N(CC(=O)Nc3cccc4nonc34)C2=O)c1

COc1cccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc4nonc34)C2=O)c1

COc1ccccc1\C=C\c1cn2c(nnc2s1)-c1ccc2ccccc2n1

COc1ccccc1OCc1cn2c(nnc2s1)-c1ccc2ccccc2n1

OC(=O)[C@@H](CCc1ccccc1)NC(=O)C(O)=O |r|

c1cc2c(ccnc2c(c1)O)C(=O)O

ON(CCCCNCc1ccc(COC(=O)Nc2cccc3ccccc23)cc1)C(=O)C=CC(O)=O |w:31.33|

CN(C)NC(=O)CCC(=O)NN(C)C

C[N+](C)(C)NC(=O)CCC(O)=O

CN(C)NC(=O)CCC(=O)O

CN(C)OC(=O)CCC(O)=O

CC(=O)CC(=O)CCC(=O)O

CC(C)NC(=O)CCC(O)=O

CN(C)N(C)C(=O)CCC(O)=O

ONC(=O)CCC(O)=O

C(CC(=O)O)C(=O)NN

CNNC(=O)CCC(O)=O

OC(=O)c1ccnc(c1)-c1cc(NC(=O)c2ccc(O)cc2)ccc1O

Cc1cc(no1)C(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O

COc1cccc(CC(=O)Nc2ccc(O)c(c2)-c2cc(ccn2)C(O)=O)c1

COCC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O

CC(=O)Nc1ccc(O)c(c1)-c1cc(ccn1)C(O)=O