pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.96	Datawarrior	0	-1	O=C(O)c1cccc(S)c1	O=C([O-])c1cccc(S)c1	mol464	O=C(O)c1cccc(S)c1
3.96000003814697	QSARToolbox	0	-1	O=C(O)c1cccc(S)c1	O=C([O-])c1cccc(S)c1	mol464	O=C(O)c1cccc(S)c1
6.32	IUPAC digitized pKa	-1	-2	O=C([O-])c1cccc(S)c1	O=C([O-])c1cccc([S-])c1	mol464	O=C(O)c1cccc(S)c1
6.2	IUPAC digitized pKa	-1	-2	O=C([O-])c1cccc(S)c1	O=C([O-])c1cccc([S-])c1	mol464	O=C(O)c1cccc(S)c1
6.15	IUPAC digitized pKa	-1	-2	O=C([O-])c1cccc(S)c1	O=C([O-])c1cccc([S-])c1	mol464	O=C(O)c1cccc(S)c1
6.3	OCHEM	-1	-2	O=C([O-])c1cccc(S)c1	O=C([O-])c1cccc([S-])c1	mol464	O=C(O)c1cccc(S)c1
6.21	AttenGpKa training set	-1	-2	O=C([O-])c1cccc(S)c1	O=C([O-])c1cccc([S-])c1	mol464	O=C(O)c1cccc(S)c1