pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.17	AttenGpKa training set	0	-1	O/N=C/c1ccccc1O	[O-]c1ccccc1/C=N/O,[O-]/N=C/c1ccccc1O	mol13042	O/N=C/c1ccccc1O
11.78	AttenGpKa training set	-1	-2	[O-]c1ccccc1/C=N/O,[O-]/N=C/c1ccccc1O	[O-]/N=C/c1ccccc1[O-]	mol13042	O/N=C/c1ccccc1O