pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.59	OCHEM	0	-1	CC[C@@H](C)c1ccc(O)c([N+](=O)[O-])c1	CC[C@@H](C)c1ccc([O-])c([N+](=O)[O-])c1	mol31679	CC[C@@H](C)c1ccc(O)c([N+](=O)[O-])c1