pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.97	OCHEM	2	1	NC(=O)c1cc[n+](Cc2ccccc2C[n+]2ccc(/C=N/O)cc2)cc1	NC(=O)c1cc[n+](Cc2ccccc2C[n+]2ccc(/C=N/[O-])cc2)cc1	mol17964	NC(=O)c1cc[n+](Cc2ccccc2C[n+]2ccc(/C=N/O)cc2)cc1
8.13	OCHEM	2	1	NC(=O)c1cc[n+](Cc2ccccc2C[n+]2ccc(/C=N/O)cc2)cc1	NC(=O)c1cc[n+](Cc2ccccc2C[n+]2ccc(/C=N/[O-])cc2)cc1	mol17964	NC(=O)c1cc[n+](Cc2ccccc2C[n+]2ccc(/C=N/O)cc2)cc1
7.94	OCHEM	2	1	NC(=O)c1cc[n+](Cc2ccccc2C[n+]2ccc(/C=N/O)cc2)cc1	NC(=O)c1cc[n+](Cc2ccccc2C[n+]2ccc(/C=N/[O-])cc2)cc1	mol17964	NC(=O)c1cc[n+](Cc2ccccc2C[n+]2ccc(/C=N/O)cc2)cc1