pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.12	Datawarrior	0	-1	CN(c1nc([N+](=O)[O-])n[nH]1)[N+](=O)[O-]	CN(c1nc([N+](=O)[O-])n[n-]1)[N+](=O)[O-]	mol13905	CN(c1nc([N+](=O)[O-])n[nH]1)[N+](=O)[O-]
3.1199999	OCHEM	0	-1	CN(c1nc([N+](=O)[O-])n[nH]1)[N+](=O)[O-]	CN(c1nc([N+](=O)[O-])n[n-]1)[N+](=O)[O-]	mol13905	CN(c1nc([N+](=O)[O-])n[nH]1)[N+](=O)[O-]
3.11999988555908	QSARToolbox	0	-1	CN(c1nc([N+](=O)[O-])n[nH]1)[N+](=O)[O-]	CN(c1nc([N+](=O)[O-])n[n-]1)[N+](=O)[O-]	mol13905	CN(c1nc([N+](=O)[O-])n[nH]1)[N+](=O)[O-]