pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.35	AttenGpKa training set	0	-1	CC(O)(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	CC([O-])(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	mol31310	CC(O)(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]