pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.24	Datawarrior	0	-1	O=C(O)c1csc([N+](=O)[O-])c1	O=C([O-])c1csc([N+](=O)[O-])c1	mol14205	O=C(O)c1csc([N+](=O)[O-])c1
3.14000010490417	QSARToolbox	0	-1	O=C(O)c1csc([N+](=O)[O-])c1	O=C([O-])c1csc([N+](=O)[O-])c1	mol14205	O=C(O)c1csc([N+](=O)[O-])c1
3.34999990463257	QSARToolbox	0	-1	O=C(O)c1csc([N+](=O)[O-])c1	O=C([O-])c1csc([N+](=O)[O-])c1	mol14205	O=C(O)c1csc([N+](=O)[O-])c1