pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	Baltruschat ChEMBL	1	0	Cc1ccc(-n2cc(/C=N/O)[n+](C)c2)cc1	Cc1ccc(-n2cc(/C=N/[O-])[n+](C)c2)cc1	mol18412	Cc1ccc(-n2cc(/C=N/O)[n+](C)c2)cc1