CID Name SMILES Class Subclass Hit Ratio
674 Dimethylamine CNC Aliphatic (noncyclic) Short amine (heavy atoms < 5) 0/44
1146 Trimethylamine CN(C)C Aliphatic (noncyclic) Short amine (heavy atoms < 5) 0/44
1390 1-Methylimidazole Cn1ccnc1 Heterocyclic aromatic Imidazole 0/28
24874 2-Butanamine CCC(C)N Aliphatic (noncyclic) Branched monoamine 1/45
10009 3-Aminopyridine Nc1cccnc1 Heterocyclic aromatic Pyridine 1/44
31018 3-(Aminomethyl)pyridine NCc1cccnc1 Heterocyclic aromatic Pyridine 1/44
774 Histamine NCCc1cnc[nH]1 Heterocyclic aromatic Pyrrole 1/44
7515 N-Methylaniline CNc1ccccc1 Aniline Aniline 2/48
9257 1,2,4-Triazole c1nc[nH]n1 Heterocyclic aromatic Pyrrole 2/44
4091 Metformin CN(C)C(=N)N=C(N)N Aliphatic (noncyclic) Multi-amine 2/44