pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.48	IUPAC digitized pKa	0	-1	O=[N+]([O-])c1cccc2cn[nH]c12	O=[N+]([O-])c1cccc2cn[n-]c12	mol10058	O=[N+]([O-])c1cccc2cn[nH]c12
-0.83	Datawarrior	1	0	O=[N+]([O-])c1cccc2c[nH+][nH]c12	O=[N+]([O-])c1cccc2cn[nH]c12	mol10058	O=[N+]([O-])c1cccc2cn[nH]c12
-0.82999998	OCHEM	1	0	O=[N+]([O-])c1cccc2c[nH+][nH]c12	O=[N+]([O-])c1cccc2cn[nH]c12	mol10058	O=[N+]([O-])c1cccc2cn[nH]c12
-0.99	AttenGpKa training set	1	0	O=[N+]([O-])c1cccc2c[nH+][nH]c12	O=[N+]([O-])c1cccc2cn[nH]c12	mol10058	O=[N+]([O-])c1cccc2cn[nH]c12