pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.15999984741211	QSARToolbox	-2	-3	COc1ccc([N-]/N=C2\C(=O)NC(=O)C=C2C(=O)[O-])cc1,COc1ccc(N/N=C2\C(=O)[N-]C(=O)C=C2C(=O)[O-])cc1	COc1ccc([N-]/N=C2\C(=O)[N-]C(=O)C=C2C(=O)[O-])cc1	mol34405	COc1ccc(N/N=C2\C(=O)NC(=O)C=C2C(=O)O)cc1