pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.21	Datawarrior	1	0	O=[N+]([O-])c1ccc2[nH]c(CCl)[nH+]c2c1	O=[N+]([O-])c1ccc2[nH]c(CCl)nc2c1	mol13466	O=[N+]([O-])c1ccc2[nH]c(CCl)nc2c1
2.21000003814697	QSARToolbox	1	0	O=[N+]([O-])c1ccc2[nH]c(CCl)[nH+]c2c1	O=[N+]([O-])c1ccc2[nH]c(CCl)nc2c1	mol13466	O=[N+]([O-])c1ccc2[nH]c(CCl)nc2c1