pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.98	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(S(=O)(=O)CCCO)cc1	[NH-]S(=O)(=O)c1ccc(S(=O)(=O)CCCO)cc1	mol20970	NS(=O)(=O)c1ccc(S(=O)(=O)CCCO)cc1