pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.29	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1ccc(-c2[nH]c3ccc([N+](=O)[O-])cc3[nH+]2)c(C)c1	Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)c1	mol21853	Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)c1