pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	Baltruschat ChEMBL	1	0	CCCCCCCCCCCOC[n+]1ccc(/C=N/O)cc1	CCCCCCCCCCCOC[n+]1ccc(/C=N/[O-])cc1	mol16543	CCCCCCCCCCCOC[n+]1ccc(/C=N/O)cc1