CNCC(=O)N[C@@H](CC(C)C)C(=O)O    mol38526    0_1
C[NH2+]CC(=O)N[C@@H](CC(C)C)C(=O)[O-]    mol38526    0_2
C[NH2+]CC(=O)N[C@@H](CC(C)C)C(=O)O    mol38526    1_1
CNCC(=[OH+])N[C@@H](CC(C)C)C(=O)O    mol38526    1_2
CNCC(=O)N[C@@H](CC(C)C)C(O)=[OH+]    mol38526    1_3