pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.06	Datawarrior	0	-1	CC(=O)c1cc([N+](=O)[O-])ccc1C(=O)O	CC(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	mol14340	CC(=O)c1cc([N+](=O)[O-])ccc1C(=O)O
3.0599999	OCHEM	0	-1	CC(=O)c1cc([N+](=O)[O-])ccc1C(=O)O	CC(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	mol14340	CC(=O)c1cc([N+](=O)[O-])ccc1C(=O)O
3.05999994277954	QSARToolbox	0	-1	CC(=O)c1cc([N+](=O)[O-])ccc1C(=O)O	CC(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	mol14340	CC(=O)c1cc([N+](=O)[O-])ccc1C(=O)O