pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.2	Baltruschat ChEMBL	1	0	O=[N+]([O-])c1cccc[nH+]1	O=[N+]([O-])c1ccccn1	mol16728	O=[N+]([O-])c1ccccn1
-2.06	AttenGpKa training set	1	0	O=[N+]([O-])c1cccc[nH+]1	O=[N+]([O-])c1ccccn1	mol16728	O=[N+]([O-])c1ccccn1