pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.27	AttenGpKa training set	0	-1	CC(O)(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1	CC([O-])(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1	mol31296	CC(O)(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1