pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.52	AttenGpKa training set	0	-1	COC(=O)c1nc([N+](=O)[O-])n[nH]1	COC(=O)c1nc([N+](=O)[O-])n[n-]1	mol25427	COC(=O)c1nc([N+](=O)[O-])n[nH]1