pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.75	AttenGpKa training set	0	-1	O=[N+]([O-])c1ccc2nnn(O)c2c1	O=[N+]([O-])c1ccc2nnn([O-])c2c1	mol26470	O=[N+]([O-])c1ccc2nnn(O)c2c1
-2.59	AttenGpKa training set	1	0	O=[N+]([O-])c1ccc2n[nH+]n(O)c2c1,O=[N+]([O-])c1ccc2[nH+]nn(O)c2c1	O=[N+]([O-])c1ccc2nnn(O)c2c1	mol26470	O=[N+]([O-])c1ccc2nnn(O)c2c1