pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	Organic Oxygen Acids and Nitrogen Bases	0	-1	NS(=O)(=O)c1cc2cc(CN3CCOCC3)sc2o1	[NH-]S(=O)(=O)c1cc2cc(CN3CCOCC3)sc2o1	mol16121	NS(=O)(=O)c1cc2cc(CN3CCOCC3)sc2o1
5.32	Baltruschat ChEMBL	1	0	NS(=O)(=O)c1cc2cc(C[NH+]3CCOCC3)sc2o1	NS(=O)(=O)c1cc2cc(CN3CCOCC3)sc2o1	mol16121	NS(=O)(=O)c1cc2cc(CN3CCOCC3)sc2o1