pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.62	IUPAC digitized pKa	1	0	C[S@@+]([O-])c1ccc[nH+]n1,C[S@@+]([O-])c1cccn[nH+]1	C[S@@+]([O-])c1cccnn1	mol6972	C[S+]([O-])c1cccnn1
-0.620000004768372	QSARToolbox	1	0	C[S@@+]([O-])c1ccc[nH+]n1,C[S@@+]([O-])c1cccn[nH+]1	C[S@@+]([O-])c1cccnn1	mol6972	C[S+]([O-])c1cccnn1