pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.27	IUPAC digitized pKa	-1	-2	O=C(CC(=O)c1ccc(S(=O)(=O)[O-])cc1)c1ccccc1	O=C([CH-]C(=O)c1ccc(S(=O)(=O)[O-])cc1)c1ccccc1	mol12031	O=C(CC(=O)c1ccc(S(=O)(=O)O)cc1)c1ccccc1