pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.756	IUPAC digitized pKa	0	-1	Cc1cccc([S@@+]([O-])CC(=O)O)c1	Cc1cccc([S@@+]([O-])CC(=O)[O-])c1	mol11025	Cc1cccc([S+]([O-])CC(=O)O)c1
2.75999999046326	QSARToolbox	0	-1	Cc1cccc([S@@+]([O-])CC(=O)O)c1	Cc1cccc([S@@+]([O-])CC(=O)[O-])c1	mol11025	Cc1cccc([S+]([O-])CC(=O)O)c1