pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.44	AttenGpKa training set	1	0	COc1[nH+]c([N+](=O)[O-])cn1C	COc1nc([N+](=O)[O-])cn1C	mol25379	COc1nc([N+](=O)[O-])cn1C
