pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3	AttenGpKa training set	0	-1	[O-]/N=C/c1cc[n+](CCO)cc1	[O-]/N=C/c1cc[n+]([CH-]CO)cc1,[O-]CC[n+]1ccc(/C=N/[O-])cc1	mol31568	OCC[n+]1ccc(/C=N/O)cc1