pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4000001	OCHEM	0	-1	C=C(C)C=C(C(=O)O)c1ccc([N+](=O)[O-])cc1	C=C(C)C=C(C(=O)[O-])c1ccc([N+](=O)[O-])cc1	mol32307	C=C(C)C=C(C(=O)O)c1ccc([N+](=O)[O-])cc1