pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	IUPAC digitized pKa	0	-1	Cc1cc(O)c2ncccc2c1S(=O)(=O)O,Cc1cc(O)c2[nH+]cccc2c1S(=O)(=O)[O-]	Cc1cc(O)c2ncccc2c1S(=O)(=O)[O-]	mol4423	Cc1cc(O)c2ncccc2c1S(=O)(=O)O
8.7	IUPAC digitized pKa	-1	-2	Cc1cc(O)c2ncccc2c1S(=O)(=O)[O-]	Cc1cc([O-])c2ncccc2c1S(=O)(=O)[O-]	mol4423	Cc1cc(O)c2ncccc2c1S(=O)(=O)O