pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.03	AttenGpKa training set	-1	-2	O=C([O-])c1nc([N+](=O)[O-])n[nH]1,O=C(O)c1nc([N+](=O)[O-])n[n-]1	O=C([O-])c1nc([N+](=O)[O-])n[n-]1	mol25383	O=C(O)c1nc([N+](=O)[O-])n[nH]1