pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.48	Datawarrior	1	0	C[NH+](C)c1ncc([N+](=O)[O-])s1,CN(C)c1[nH+]cc([N+](=O)[O-])s1	CN(C)c1ncc([N+](=O)[O-])s1	mol14274	CN(C)c1ncc([N+](=O)[O-])s1
0.47999999	OCHEM	1	0	C[NH+](C)c1ncc([N+](=O)[O-])s1,CN(C)c1[nH+]cc([N+](=O)[O-])s1	CN(C)c1ncc([N+](=O)[O-])s1	mol14274	CN(C)c1ncc([N+](=O)[O-])s1
0.479999989271164	QSARToolbox	1	0	C[NH+](C)c1ncc([N+](=O)[O-])s1,CN(C)c1[nH+]cc([N+](=O)[O-])s1	CN(C)c1ncc([N+](=O)[O-])s1	mol14274	CN(C)c1ncc([N+](=O)[O-])s1