pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.14	AttenGpKa training set	0	-1	O=[N+]([O-])c1cc([N+](=O)[O-])[nH]n1	O=[N+]([O-])c1cc([N+](=O)[O-])[n-]n1	mol25381	O=[N+]([O-])c1cc([N+](=O)[O-])[nH]n1