pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.17	Datawarrior	0	-1	Cc1c([N+](=O)[O-])cc(Cl)c2nnn(O)c12	Cc1c([N+](=O)[O-])cc(Cl)c2nnn([O-])c12	mol15703	Cc1c([N+](=O)[O-])cc(Cl)c2nnn(O)c12
3.1700001	OCHEM	0	-1	Cc1c([N+](=O)[O-])cc(Cl)c2nnn(O)c12	Cc1c([N+](=O)[O-])cc(Cl)c2nnn([O-])c12	mol15703	Cc1c([N+](=O)[O-])cc(Cl)c2nnn(O)c12
3.17000007629395	QSARToolbox	0	-1	Cc1c([N+](=O)[O-])cc(Cl)c2nnn(O)c12	Cc1c([N+](=O)[O-])cc(Cl)c2nnn([O-])c12	mol15703	Cc1c([N+](=O)[O-])cc(Cl)c2nnn(O)c12