pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.67999982833862	QSARToolbox	0	-1	O=[N+]([O-])c1ccccc1S	O=[N+]([O-])c1ccccc1[S-]	mol28214	O=[N+]([O-])c1ccccc1S
5.45	AttenGpKa training set	0	-1	O=[N+]([O-])c1ccccc1S	O=[N+]([O-])c1ccccc1[S-]	mol28214	O=[N+]([O-])c1ccccc1S