pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.35	IUPAC digitized pKa	0	-1	C[C@H](C#N)C[NH2+][C@@H](CC(=O)[O-])c1ccccc1	C[C@H](C#N)CN[C@@H](CC(=O)[O-])c1ccccc1	mol8569	CC(C#N)CNC(CC(=O)O)c1ccccc1