MonarchInit/C3PO huggingface dataset:
N-(2-naphthyl)carboxamide (CHEBI:88330)
Definition: Any carboxamide resulting from the formal condensation of a carboxylic acid with 2-naphthylamine.
Example SMILES structures:
C(=O)(CN)NC=1C=CC2=C(C1)C=CC=C2
C(=O)([C@H](C)N)NC=1C=CC2=C(C1)C=CC=C2
O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)CCCNC(=N)N
O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)CC(N)=O
C(=O)(C(N)CCSC)NC=1C=CC2=C(C1)C=CC=C2
C(=O)([C@@H](N)CCSC)NC=1C=CC2=C(C1)C=CC=C2
C(=O)([C@H](N)CCSC)NC=1C=CC2=C(C1)C=CC=C2
C(=O)([C@@H](N)CC(O)=O)NC=1C=CC2=C(C1)C=CC=C2
C(=O)([C@@H](N)CS)NC=1C=CC2=C(C1)C=CC=C2
C(=O)([C@@H](N)CSSC[C@@H](C(=O)O)N)NC=1C=CC2=C(C1)C=CC=C2
C(=O)([C@@H](N)CSSC[C@@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)N)NC=3C=CC4=C(C3)C=CC=C4
C(=O)([C@@H](N)CCC(O)=O)NC=1C=CC2=C(C1)C=CC=C2
C(=O)([C@@H](N)CCC(NC=1C=CC2=C(C1)C=CC=C2)=O)O
C(=O)([C@@H](N)CCC(N)=O)NC=1C=CC2=C(C1)C=CC=C2
C=1(N=CNC1)C[C@@H](C(=O)NC=2C=CC3=C(C2)C=CC=C3)N
N1[C@@H](C[C@H](C1)O)C(=O)NC=2C=CC3=C(C2)C=CC=C3
N(C([C@H]([C@H](CC)C)N)=O)C=1C=CC2=C(C1)C=CC=C2
N(C([C@H](CC(C)C)N)=O)C=1C=CC2=C(C1)C=CC=C2
N(C([C@H](CCCCN)N)=O)C=1C=CC2=C(C1)C=CC=C2
N(C([C@H](CCCN)N)=O)C=1C=CC2=C(C1)C=CC=C2
N(C([C@H](CC=1C=CC=CC1)N)=O)C=2C=CC3=C(C2)C=CC=C3
[C@H]1(CCCN1)C(=O)NC=2C=CC3=C(C2)C=CC=C3
[C@H]1(CCC(N1)=O)C(=O)NC=2C=CC3=C(C2)C=CC=C3
N(C([C@H](CO)N)=O)C=1C=CC2=C(C1)C=CC=C2
O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)[C@H](O)C
C1(=CNC2=C1C=CC=C2)C[C@@H](C(=O)NC=3C=CC4=C(C3)C=CC=C4)N
O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)CC=3C=CC(=CC3)O
O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)C(C)C
C(=O)([C@H](C)N)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)C
C(=O)([C@H](C)N)N[C@H](C(N1[C@@H](CCC1)C(=O)NC=2C=CC3=C(C2)C=CC=C3)=O)CC=4C=CC=CC4
N(C(CCN)=O)C=1C=CC2=C(C1)C=CC=C2
C(=O)([C@@H](N)CCC(=O)O)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CCC(=O)O
C(=O)([C@@H](N)CCC(=O)O)NCC(=O)NC=1C=CC2=C(C1)C=CC=C2
C(=O)([C@@H](N)CCC(=O)O)NCC(=O)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CCCNC(=N)N
C(=O)(CCCC(O)=O)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CC=3C=CC=CC3
C(=O)(CN)NCC(=O)NC=1C=CC2=C(C1)C=CC=C2
C(=O)(CN)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CC=3C=CC=CC3
NCC(N1[C@@H](CCC1)C(=O)NC=2C=CC3=C(C2)C=CC=C3)=O
C(=O)(CN)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CC3=CNC4=C3C=CC=C4
C(=O)([C@@H](N)CC(C)C)NCC(=O)NC=1C=CC2=C(C1)C=CC=C2
C(=O)(C=1C=CC=CC1)N[C@H](C(=O)NC=2C=CC3=C(C2)C=CC=C3)CC(C)C
C(C[C@@H](C(NC=1C=CC2=C(C1)C=CC=C2)=O)NC(=O)C=3C=CC=CC3)CNC(=N)N
N([C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CCCNC(=N)N)C(CNC(=O)CNC(=O)OCC=3C=CC=CC3)=O
N([C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CC=3C=CC(=CC3)O)C([C@@H](N)CO)=O
C=1(CC(C(NC=2C=CC3=C(C2)C=CC=C3)=O)NC(=O)C=4C=CC=CC4)C=CC=CC1
C=1(C[C@@H](C(NC=2C=CC3=C(C2)C=CC=C3)=O)NC(=O)C=4C=CC=CC4)C=CC=CC1
C=1(C[C@H](C(NC=2C=CC3=C(C2)C=CC=C3)=O)NC(=O)C=4C=CC=CC4)C=CC=CC1
C(CC(C(NC=1C=CC2=C(C1)C=CC=C2)=O)NC(=O)C=3C=CC=CC3)CNC(=N)N
C(C[C@H](C(NC=1C=CC2=C(C1)C=CC=C2)=O)NC(=O)C=3C=CC=CC3)CNC(=N)N
N-(naphthyl)carboxamide (CHEBI:88361)
Definition: Any secondary carboxamide resulting from the formal condensation of a carboxylic acid with 1- or 2-naphthylamine.
Example SMILES structures:
OC(=O)c1ccccc1C(=O)Nc1cccc2ccccc12
C(=O)(CN)NC=1C=CC2=C(C1)C=CC=C2
C(=O)([C@H](C)N)NC=1C=CC2=C(C1)C=CC=C2
O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)CCCNC(=N)N
O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)CC(N)=O
C(=O)(C(N)CCSC)NC=1C=CC2=C(C1)C=CC=C2
C(=O)([C@@H](N)CCSC)NC=1C=CC2=C(C1)C=CC=C2
C(=O)([C@H](N)CCSC)NC=1C=CC2=C(C1)C=CC=C2
C(=O)([C@@H](N)CC(O)=O)NC=1C=CC2=C(C1)C=CC=C2
C(=O)([C@@H](N)CS)NC=1C=CC2=C(C1)C=CC=C2
C(=O)([C@@H](N)CSSC[C@@H](C(=O)O)N)NC=1C=CC2=C(C1)C=CC=C2
C(=O)([C@@H](N)CSSC[C@@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)N)NC=3C=CC4=C(C3)C=CC=C4
C(=O)([C@@H](N)CCC(O)=O)NC=1C=CC2=C(C1)C=CC=C2
C(=O)([C@@H](N)CCC(NC=1C=CC2=C(C1)C=CC=C2)=O)O
C(=O)([C@@H](N)CCC(N)=O)NC=1C=CC2=C(C1)C=CC=C2
C=1(N=CNC1)C[C@@H](C(=O)NC=2C=CC3=C(C2)C=CC=C3)N
N1[C@@H](C[C@H](C1)O)C(=O)NC=2C=CC3=C(C2)C=CC=C3
N(C([C@H]([C@H](CC)C)N)=O)C=1C=CC2=C(C1)C=CC=C2
N(C([C@H](CC(C)C)N)=O)C=1C=CC2=C(C1)C=CC=C2
N(C([C@H](CCCCN)N)=O)C=1C=CC2=C(C1)C=CC=C2
N(C([C@H](CCCN)N)=O)C=1C=CC2=C(C1)C=CC=C2
N(C([C@H](CC=1C=CC=CC1)N)=O)C=2C=CC3=C(C2)C=CC=C3
[C@H]1(CCCN1)C(=O)NC=2C=CC3=C(C2)C=CC=C3
[C@H]1(CCC(N1)=O)C(=O)NC=2C=CC3=C(C2)C=CC=C3
N(C([C@H](CO)N)=O)C=1C=CC2=C(C1)C=CC=C2
O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)[C@H](O)C
C1(=CNC2=C1C=CC=C2)C[C@@H](C(=O)NC=3C=CC4=C(C3)C=CC=C4)N
O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)CC=3C=CC(=CC3)O
O=C(NC=1C=CC2=C(C1)C=CC=C2)[C@@H](N)C(C)C
C(=O)([C@H](C)N)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)C
C(=O)([C@H](C)N)N[C@H](C(N1[C@@H](CCC1)C(=O)NC=2C=CC3=C(C2)C=CC=C3)=O)CC=4C=CC=CC4
N(C(CCN)=O)C=1C=CC2=C(C1)C=CC=C2
C(=O)([C@@H](N)CCC(=O)O)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CCC(=O)O
C(=O)([C@@H](N)CCC(=O)O)NCC(=O)NC=1C=CC2=C(C1)C=CC=C2
C(=O)([C@@H](N)CCC(=O)O)NCC(=O)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CCCNC(=N)N
C(=O)(CCCC(O)=O)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CC=3C=CC=CC3
C(=O)(CN)NCC(=O)NC=1C=CC2=C(C1)C=CC=C2
C(=O)(CN)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CC=3C=CC=CC3
NCC(N1[C@@H](CCC1)C(=O)NC=2C=CC3=C(C2)C=CC=C3)=O
C(=O)(CN)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CC3=CNC4=C3C=CC=C4
C(=O)([C@@H](N)CC(C)C)NCC(=O)NC=1C=CC2=C(C1)C=CC=C2
C(=O)(C=1C=CC=CC1)N[C@H](C(=O)NC=2C=CC3=C(C2)C=CC=C3)CC(C)C
C(C[C@@H](C(NC=1C=CC2=C(C1)C=CC=C2)=O)NC(=O)C=3C=CC=CC3)CNC(=N)N
N([C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CCCNC(=N)N)C(CNC(=O)CNC(=O)OCC=3C=CC=CC3)=O
N([C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CC=3C=CC(=CC3)O)C([C@@H](N)CO)=O
C=1(CC(C(NC=2C=CC3=C(C2)C=CC=C3)=O)NC(=O)C=4C=CC=CC4)C=CC=CC1
C=1(C[C@@H](C(NC=2C=CC3=C(C2)C=CC=C3)=O)NC(=O)C=4C=CC=CC4)C=CC=CC1
C=1(C[C@H](C(NC=2C=CC3=C(C2)C=CC=C3)=O)NC(=O)C=4C=CC=CC4)C=CC=CC1
C(CC(C(NC=1C=CC2=C(C1)C=CC=C2)=O)NC(=O)C=3C=CC=CC3)CNC(=N)N
C(C[C@H](C(NC=1C=CC2=C(C1)C=CC=C2)=O)NC(=O)C=3C=CC=CC3)CNC(=N)N
dipeptide zwitterion (CHEBI:90799)
Definition: Any peptide zwitterion comprising two amino acid residues. Major structure at pH 7.3.
Example SMILES structures:
[NH3+]CC(=O)N[C@H](C(=O)[O-])CC=1C=CC=CC1
C(=O)([C@@H]([NH3+])CC1=CC=CC=C1)N[C@H](C(=O)[O-])C
C(=O)([C@@H]([NH3+])C(C)C)NCC(=O)[O-]
[NH3+][C@H](C(=O)N[C@H](C(=O)[O-])C)CC=1N=CNC1
[NH3+][C@H](C(=O)NCC(=O)[O-])[C@@H](C)CC
[NH3+][C@H](C(=O)NCC(=O)[O-])CC(C)C
[C@@H](NC([C@H]1[NH2+]CCC1)=O)(C(=O)[O-])C
O[C@@H]1C[C@H](N(C1)C(=O)[C@H]2[NH2+]CCC2)C([O-])=O
[NH3+][C@@H](CS/C(=N\O)/CC=1C=CC=CC1)C(=O)NCC(=O)[O-]
[NH3+][C@@H](CS/C(=N/O)/CC=1C=2C=CC=CC2NC1)C(=O)NCC(=O)[O-]
[NH3+][C@@H](CSC(C#N)C1=CNC2=C1C=CC=C2)C(=O)NCC(=O)[O-]
[NH3+][C@H](C(=O)[O-])CC(N[C@@H](CCCNC(=[NH2+])N)C([O-])=O)=O
S(CCNC(CC[C@@H](C([O-])=O)[NH3+])=O)(O)(=O)=O
C([C@@H](NC(CCC[NH3+])=O)CC1=CNC=N1)([O-])=O
C(=O)(C[NH3+])N[C@H](C(=O)[O-])CC(C)C
C(=O)(CCN)N[C@@H](CCCCN)C(=O)[O-].[H+]
[NH3+]CC(=O)NC(C(=O)[O-])=CC=1C=CC=CC1
C(=O)([C@@H]([NH3+])CC1=CC=CC=C1)N[C@H](C(=O)[O-])CC=2NC=NC2
[NH3+][C@H](C(=O)N1[C@H](C(=O)[O-])CCC1)CC=2N=CNC2
[NH3+][C@H](C(=O)N[C@H](C(=O)[O-])CC(C)C)CC=1N=CNC1
[O-]C(=O)CN(C(C[NH3+])=O)C
C(=O)([C@@H]([NH3+])CC(C)C)N1[C@H](C(=O)[O-])CCC1
C(=O)([C@@H]([NH3+])C)N1[C@H](C(=O)[O-])CCC1
[NH3+][C@@H](CSC/C=C(/CC\C=C(\CC/C=C(\C)/CCC=C(C)C)/C)\C)C(=O)NCC(=O)[O-]
C[C@@H](O)[C@H]([NH3+])C(=O)N[C@@H]([C@@H](C)O)C([O-])=O
C[C@@H](O)[C@H]([NH3+])C(=O)N[C@@H](CO)C([O-])=O
C[C@@H](O)[C@H](NC(=O)[C@@H]([NH3+])CO)C([O-])=O
[NH3+]CC(=O)N[C@@H](CC1=CNC=N1)C([O-])=O
C[C@H]([NH3+])C(=O)N[C@@H](CS)C([O-])=O
CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C([O-])=O
CSCC[C@H](NC(=O)[C@@H]([NH3+])CC1=CC=CC=C1)C([O-])=O
CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CC1=CC=CC=C1)C([O-])=O
[NH3+][C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C([O-])=O
CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C([O-])=O
[NH3+][C@@H](CC1=CC=C(O)C=C1)C(=O)NCC([O-])=O
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C([O-])=O
C[C@H]([NH3+])C(=O)N[C@@H](C)C([O-])=O
COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]([NH3+])CC([O-])=O
[NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])CC([O-])=O)C([O-])=O
[NH3+][C@@H](CC1=CNC=N1)C(=O)NCC([O-])=O
[NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](CC([O-])=O)C([O-])=O
C1([C@@H](NC([C@@H](N1)CCCNC(N)=[NH2+])=O)CC([O-])=O)=O
C1([C@@H](NC([C@@H](N1)CCCNC(N)=[NH2+])=O)CCC([O-])=O)=O
[O-]C(=O)[C@@H](NC(=O)CC[NH3+])CC=1N=CN(C1)C
[NH3+]CC(=O)NCC([O-])=O
C[C@@H]([NH3+])C(=O)N[C@H](C)C([O-])=O
C[C@@H]([NH3+])C(=O)N[C@H](CO)C([O-])=O
[NH3+][C@@H](CS)C(=O)NCC([O-])=O
[O-]C(=O)CNC(=O)[C@@H]1CCC[NH2+]1
[NH3+]CC(=O)N1CCC[C@H]1C([O-])=O
C[C@H]([NH3+])C(=O)NCC([O-])=O
C[C@H]([NH3+])C(=O)N[C@@H](CCC(N)=O)C([O-])=O
C[C@H]([NH3+])C(=O)N[C@@H](Cc1cnc[nH]1)C([O-])=O
CC(C)C[C@H](NC(=O)[C@H](C)[NH3+])C([O-])=O
C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH3+])C([O-])=O
NC(=O)C[C@H](NC(=O)C[NH3+])C([O-])=O
NC(=O)CC[C@H](NC(=O)C[NH3+])C([O-])=O
CSCC[C@H](NC(=O)C[NH3+])C([O-])=O
CSCC[C@H]([NH3+])C(=O)N[C@@H](C)C([O-])=O
C[C@H]([NH3+])C(=O)N[C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C([O-])=O