pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.92	OCHEM	0	-1	COc1ccc(-c2csc(NC(=O)C[n+]3cccc(/C=N/[O-])c3)n2)cc1,COc1ccc(-c2csc([N-]C(=O)C[n+]3cccc(/C=N/O)c3)n2)cc1	COc1ccc(-c2csc([N-]C(=O)C[n+]3cccc(/C=N/[O-])c3)n2)cc1	mol32197	COc1ccc(-c2csc(NC(=O)C[n+]3cccc(/C=N/O)c3)n2)cc1