pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-3.79	AttenGpKa training set	1	0	CCOc1cc([N+](=O)[O-])c([NH3+])c([N+](=O)[O-])c1	CCOc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1	mol23964	CCOc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1