pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.44	IUPAC digitized pKa	0	-1	CC(=O)NCCS(=O)(=O)C[C@H]([NH3+])C(=O)[O-]	CC(=O)NCCS(=O)(=O)C[C@H](N)C(=O)[O-]	mol8509	CC(=O)NCCS(=O)(=O)C[C@H](N)C(=O)O