pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.63	Datawarrior	0	-1	O=[N+]([O-])c1n[nH]c(-n2cnc(Br)n2)n1	O=[N+]([O-])c1n[n-]c(-n2cnc(Br)n2)n1	mol13473	O=[N+]([O-])c1n[nH]c(-n2cnc(Br)n2)n1
1.62999999523163	QSARToolbox	0	-1	O=[N+]([O-])c1n[nH]c(-n2cnc(Br)n2)n1	O=[N+]([O-])c1n[n-]c(-n2cnc(Br)n2)n1	mol13473	O=[N+]([O-])c1n[nH]c(-n2cnc(Br)n2)n1