pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.17	IUPAC digitized pKa	0	-1	COC(=O)[C@@H](N)C(C)(C)S	COC(=O)[C@@H](N)C(C)(C)[S-]	mol8566	COC(=O)[C@@H](N)C(C)(C)S
6.3	IUPAC digitized pKa	1	0	COC(=O)[C@@H]([NH3+])C(C)(C)S	COC(=O)[C@@H](N)C(C)(C)S	mol8566	COC(=O)[C@@H](N)C(C)(C)S