pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.33	Datawarrior	0	-1	O=NNc1nc([N+](=O)[O-])nn1-c1ccccc1	O=N[N-]c1nc([N+](=O)[O-])nn1-c1ccccc1	mol15169	O=NNc1nc([N+](=O)[O-])nn1-c1ccccc1
3.3299999	OCHEM	0	-1	O=NNc1nc([N+](=O)[O-])nn1-c1ccccc1	O=N[N-]c1nc([N+](=O)[O-])nn1-c1ccccc1	mol15169	O=NNc1nc([N+](=O)[O-])nn1-c1ccccc1
3.32999992370605	QSARToolbox	0	-1	O=NNc1nc([N+](=O)[O-])nn1-c1ccccc1	O=N[N-]c1nc([N+](=O)[O-])nn1-c1ccccc1	mol15169	O=NNc1nc([N+](=O)[O-])nn1-c1ccccc1