pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.17	Datawarrior	1	0	[NH3+]CCC(=O)Oc1ccc([N+](=O)[O-])cc1	NCCC(=O)Oc1ccc([N+](=O)[O-])cc1	mol14303	NCCC(=O)Oc1ccc([N+](=O)[O-])cc1
9.1700001	OCHEM	1	0	[NH3+]CCC(=O)Oc1ccc([N+](=O)[O-])cc1	NCCC(=O)Oc1ccc([N+](=O)[O-])cc1	mol14303	NCCC(=O)Oc1ccc([N+](=O)[O-])cc1
9.17000007629395	QSARToolbox	1	0	[NH3+]CCC(=O)Oc1ccc([N+](=O)[O-])cc1	NCCC(=O)Oc1ccc([N+](=O)[O-])cc1	mol14303	NCCC(=O)Oc1ccc([N+](=O)[O-])cc1