pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.25	Datawarrior	0	-1	O=[N+]([O-])c1cccc(-c2nnn[nH]2)c1	O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1	mol13458	O=[N+]([O-])c1cccc(-c2nnn[nH]2)c1
3.5	AttenGpKa training set	0	-1	O=[N+]([O-])c1cccc(-c2nnn[nH]2)c1	O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1	mol13458	O=[N+]([O-])c1cccc(-c2nnn[nH]2)c1
-3.38	AttenGpKa training set	1	0	O=[N+]([O-])c1cccc(-c2n[nH+]n[nH]2)c1,O=[N+]([O-])c1cccc(-c2nn[nH+][nH]2)c1,O=[N+]([O-])c1cccc(-c2[nH]nn[nH+]2)c1	O=[N+]([O-])c1cccc(-c2nnn[nH]2)c1	mol13458	O=[N+]([O-])c1cccc(-c2nnn[nH]2)c1