pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.17000007629395	QSARToolbox	0	-1	COc1ccc(/C=C/C(O)=C(\C(C)=O)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	COc1ccc(/C=C/C([O-])=C(\C(C)=O)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	mol34622	COc1ccc(/C=C/C(O)=C(C(C)=O)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1