pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
14.1	Datawarrior	0	-1	C[C@@H]1NCCc2c1[nH]c1ccc([N+](=O)[O-])cc21	C[C@@H]1NCCc2c1[n-]c1ccc([N+](=O)[O-])cc21	mol15297	CC1NCCc2c1[nH]c1ccc([N+](=O)[O-])cc21
14.1000003814697	QSARToolbox	0	-1	C[C@@H]1NCCc2c1[nH]c1ccc([N+](=O)[O-])cc21	C[C@@H]1NCCc2c1[n-]c1ccc([N+](=O)[O-])cc21	mol15297	CC1NCCc2c1[nH]c1ccc([N+](=O)[O-])cc21