pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.85	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)Cc1ccc([N+](=O)[O-])cc1	O=C([O-])Cc1ccc([N+](=O)[O-])cc1	mol1920	O=C(O)Cc1ccc([N+](=O)[O-])cc1
3.924	OCHEM	0	-1	O=C(O)Cc1ccc([N+](=O)[O-])cc1	O=C([O-])Cc1ccc([N+](=O)[O-])cc1	mol1920	O=C(O)Cc1ccc([N+](=O)[O-])cc1
3.84999990463257	QSARToolbox	0	-1	O=C(O)Cc1ccc([N+](=O)[O-])cc1	O=C([O-])Cc1ccc([N+](=O)[O-])cc1	mol1920	O=C(O)Cc1ccc([N+](=O)[O-])cc1
3.98000001907349	QSARToolbox	0	-1	O=C(O)Cc1ccc([N+](=O)[O-])cc1	O=C([O-])Cc1ccc([N+](=O)[O-])cc1	mol1920	O=C(O)Cc1ccc([N+](=O)[O-])cc1
3.92400002479553	QSARToolbox	0	-1	O=C(O)Cc1ccc([N+](=O)[O-])cc1	O=C([O-])Cc1ccc([N+](=O)[O-])cc1	mol1920	O=C(O)Cc1ccc([N+](=O)[O-])cc1