pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.11	OCHEM	0	-1	CC(C)(C)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1	CC(C)(C)c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1	mol30764	CC(C)(C)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1