pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.08	IUPAC digitized pKa	0	-1	O=[S@@](O)c1ccc(Br)cc1	O=[S@@]([O-])c1ccc(Br)cc1	mol9875	O=S(O)c1ccc(Br)cc1
1.89	IUPAC digitized pKa	0	-1	O=[S@@](O)c1ccc(Br)cc1	O=[S@@]([O-])c1ccc(Br)cc1	mol9875	O=S(O)c1ccc(Br)cc1
1.88999998569489	QSARToolbox	0	-1	O=[S@@](O)c1ccc(Br)cc1	O=[S@@]([O-])c1ccc(Br)cc1	mol9875	O=S(O)c1ccc(Br)cc1