pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.16	AttenGpKa training set	0	-1	O=[N+]([O-])c1ccc(-c2n[nH]c([N+](=O)[O-])n2)cc1	O=[N+]([O-])c1ccc(-c2n[n-]c([N+](=O)[O-])n2)cc1	mol25560	O=[N+]([O-])c1ccc(-c2n[nH]c([N+](=O)[O-])n2)cc1