pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1ccc(SCCCCO)s1	[NH-]S(=O)(=O)c1ccc(SCCCCO)s1	mol20947	NS(=O)(=O)c1ccc(SCCCCO)s1