pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.08	IUPAC digitized pKa	0	-1	CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	mol5394	CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
7.05	AttenGpKa training set	0	-1	CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	mol5394	CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O