pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.54	IUPAC digitized pKa	0	-1	O=C(O)c1ccccc1S	O=C([O-])c1ccccc1S	mol10115	O=C(O)c1ccccc1S
3.50999999046326	QSARToolbox	0	-1	O=C(O)c1ccccc1S	O=C([O-])c1ccccc1S	mol10115	O=C(O)c1ccccc1S
3.45	AttenGpKa training set	0	-1	O=C(O)c1ccccc1S	O=C([O-])c1ccccc1S	mol10115	O=C(O)c1ccccc1S
8.6	IUPAC digitized pKa	-1	-2	O=C([O-])c1ccccc1S	O=C([O-])c1ccccc1[S-]	mol10115	O=C(O)c1ccccc1S
8.88	IUPAC digitized pKa	-1	-2	O=C([O-])c1ccccc1S	O=C([O-])c1ccccc1[S-]	mol10115	O=C(O)c1ccccc1S
8.2	IUPAC digitized pKa	-1	-2	O=C([O-])c1ccccc1S	O=C([O-])c1ccccc1[S-]	mol10115	O=C(O)c1ccccc1S
7.79	IUPAC digitized pKa	-1	-2	O=C([O-])c1ccccc1S	O=C([O-])c1ccccc1[S-]	mol10115	O=C(O)c1ccccc1S
7.6	Datawarrior	-1	-2	O=C([O-])c1ccccc1S	O=C([O-])c1ccccc1[S-]	mol10115	O=C(O)c1ccccc1S
7.5999999	OCHEM	-1	-2	O=C([O-])c1ccccc1S	O=C([O-])c1ccccc1[S-]	mol10115	O=C(O)c1ccccc1S
7.59999990463257	QSARToolbox	-1	-2	O=C([O-])c1ccccc1S	O=C([O-])c1ccccc1[S-]	mol10115	O=C(O)c1ccccc1S
8.456666667	AttenGpKa training set	-1	-2	O=C([O-])c1ccccc1S	O=C([O-])c1ccccc1[S-]	mol10115	O=C(O)c1ccccc1S