pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.121	IUPAC digitized pKa	0	-1	Nc1cc(S(=O)(=O)O)ccc1O	Nc1cc(S(=O)(=O)[O-])ccc1O	mol3364	Nc1cc(S(=O)(=O)O)ccc1O
4.12099981307983	QSARToolbox	0	-1	Nc1cc(S(=O)(=O)O)ccc1O	Nc1cc(S(=O)(=O)[O-])ccc1O	mol3364	Nc1cc(S(=O)(=O)O)ccc1O
9.146	IUPAC digitized pKa	-1	-2	Nc1cc(S(=O)(=O)[O-])ccc1O	Nc1cc(S(=O)(=O)[O-])ccc1[O-]	mol3364	Nc1cc(S(=O)(=O)O)ccc1O
9.14599990844727	QSARToolbox	-1	-2	Nc1cc(S(=O)(=O)[O-])ccc1O	Nc1cc(S(=O)(=O)[O-])ccc1[O-]	mol3364	Nc1cc(S(=O)(=O)O)ccc1O