pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.63	AttenGpKa training set	0	-1	O=C(O)Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	O=C([O-])Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	mol23528	O=C(O)Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1