pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.26	Organic Oxygen Acids and Nitrogen Bases	1	0	COc1ccc(Cc2[nH]c3ccc([N+](=O)[O-])cc3[nH+]2)cc1	COc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1	mol21850	COc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1