pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.855	OCHEM	0	-1	O=C(O)C=Cc1cccc([N+](=O)[O-])c1	O=C([O-])C=Cc1cccc([N+](=O)[O-])c1	mol32482	O=C(O)C=Cc1cccc([N+](=O)[O-])c1
4.12	OCHEM	0	-1	O=C(O)C=Cc1cccc([N+](=O)[O-])c1	O=C([O-])C=Cc1cccc([N+](=O)[O-])c1	mol32482	O=C(O)C=Cc1cccc([N+](=O)[O-])c1
4.07999992370606	QSARToolbox	0	-1	O=C(O)C=Cc1cccc([N+](=O)[O-])c1	O=C([O-])C=Cc1cccc([N+](=O)[O-])c1	mol32482	O=C(O)C=Cc1cccc([N+](=O)[O-])c1
4.11999988555908	QSARToolbox	0	-1	O=C(O)C=Cc1cccc([N+](=O)[O-])c1	O=C([O-])C=Cc1cccc([N+](=O)[O-])c1	mol32482	O=C(O)C=Cc1cccc([N+](=O)[O-])c1