pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.57	IUPAC digitized pKa	1	0	O=[N+]([O-])c1ccc2cc[nH+]cc2c1	O=[N+]([O-])c1ccc2ccncc2c1	mol4342	O=[N+]([O-])c1ccc2ccncc2c1
3.5699999332428	QSARToolbox	1	0	O=[N+]([O-])c1ccc2cc[nH+]cc2c1	O=[N+]([O-])c1ccc2ccncc2c1	mol4342	O=[N+]([O-])c1ccc2ccncc2c1
3.61	AttenGpKa training set	1	0	O=[N+]([O-])c1ccc2cc[nH+]cc2c1	O=[N+]([O-])c1ccc2ccncc2c1	mol4342	O=[N+]([O-])c1ccc2ccncc2c1