pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.47	Datawarrior	1	0	[NH3+]c1nnnn1-c1cccc([N+](=O)[O-])c1	Nc1nnnn1-c1cccc([N+](=O)[O-])c1	mol4302	Nc1nnnn1-c1cccc([N+](=O)[O-])c1
0.469999998807907	QSARToolbox	1	0	[NH3+]c1nnnn1-c1cccc([N+](=O)[O-])c1	Nc1nnnn1-c1cccc([N+](=O)[O-])c1	mol4302	Nc1nnnn1-c1cccc([N+](=O)[O-])c1