pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.92	AttenGpKa training set	0	-1	COc1cc(C(=O)O)c([N+](=O)[O-])cc1O	COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1O	mol22935	COc1cc(C(=O)O)c([N+](=O)[O-])cc1O