pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.5	QSARToolbox	0	-1	CC(=O)N1C[S@@+](O)C[C@H]1C(=O)[O-],CC(=O)N1C[S@@+]([O-])C[C@H]1C(=O)O	CC(=O)N1C[S@@+]([O-])C[C@H]1C(=O)[O-]	mol34715	CC(=O)N1C[S+]([O-])C[C@H]1C(=O)O