pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	AttenGpKa training set	0	-1	O/N=C\c1ccncc1	[O-]/N=C\c1ccncc1	mol31502	O/N=C\c1ccncc1