pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.98	AttenGpKa training set	0	-1	O=[N+]([O-])c1nc[nH]n1	O=[N+]([O-])c1nc[n-]n1	mol25276	O=[N+]([O-])c1nc[nH]n1
-3.65	AttenGpKa training set	1	0	O=[N+]([O-])c1n[nH]c[nH+]1,O=[N+]([O-])c1nc[nH][nH+]1	O=[N+]([O-])c1nc[nH]n1	mol25276	O=[N+]([O-])c1nc[nH]n1