pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.55	IUPAC digitized pKa	1	0	O=[N+]([O-])c1cccc2cc[nH+]cc12	O=[N+]([O-])c1cccc2ccncc12	mol4343	O=[N+]([O-])c1cccc2ccncc12
3.54999995231628	QSARToolbox	1	0	O=[N+]([O-])c1cccc2cc[nH+]cc12	O=[N+]([O-])c1cccc2ccncc12	mol4343	O=[N+]([O-])c1cccc2ccncc12
3.59	AttenGpKa training set	1	0	O=[N+]([O-])c1cccc2cc[nH+]cc12	O=[N+]([O-])c1cccc2ccncc12	mol4343	O=[N+]([O-])c1cccc2ccncc12