pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3	AttenGpKa training set	0	-1	[NH3+]CCC(=O)N[C@@H](CO)C(=O)[O-]	NCCC(=O)N[C@@H](CO)C(=O)[O-]	mol29435	NCCC(=O)N[C@@H](CO)C(=O)O