pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.76	IUPAC digitized pKa	0	-1	O=[S@@](O)c1ccc(Cl)cc1	O=[S@@]([O-])c1ccc(Cl)cc1	mol9873	O=S(O)c1ccc(Cl)cc1
1.81	IUPAC digitized pKa	0	-1	O=[S@@](O)c1ccc(Cl)cc1	O=[S@@]([O-])c1ccc(Cl)cc1	mol9873	O=S(O)c1ccc(Cl)cc1
1.14999997615814	QSARToolbox	0	-1	O=[S@@](O)c1ccc(Cl)cc1	O=[S@@]([O-])c1ccc(Cl)cc1	mol9873	O=S(O)c1ccc(Cl)cc1
1.80999994277954	QSARToolbox	0	-1	O=[S@@](O)c1ccc(Cl)cc1	O=[S@@]([O-])c1ccc(Cl)cc1	mol9873	O=S(O)c1ccc(Cl)cc1