pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.68	Datawarrior	0	-1	O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)cc1	O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([O-])cc1	mol15094	O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)cc1
7.6799998	OCHEM	0	-1	O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)cc1	O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([O-])cc1	mol15094	O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)cc1
7.36999988555908	QSARToolbox	0	-1	O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)cc1	O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([O-])cc1	mol15094	O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)cc1
7.67999982833862	QSARToolbox	0	-1	O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)cc1	O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([O-])cc1	mol15094	O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)cc1