pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.37	Datawarrior	0	-1	O=C(O)c1c(Br)cccc1[N+](=O)[O-]	O=C([O-])c1c(Br)cccc1[N+](=O)[O-]	mol1045	O=C(O)c1c(Br)cccc1[N+](=O)[O-]
1.37000000476837	QSARToolbox	0	-1	O=C(O)c1c(Br)cccc1[N+](=O)[O-]	O=C([O-])c1c(Br)cccc1[N+](=O)[O-]	mol1045	O=C(O)c1c(Br)cccc1[N+](=O)[O-]