pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.25	OCHEM	2	1	NC(=O)c1cc[n+](Cc2ccc(C[n+]3ccc(/C=N/O)cc3)cc2)cc1	NC(=O)c1cc[n+](Cc2ccc(C[n+]3ccc(/C=N/[O-])cc3)cc2)cc1	mol17962	NC(=O)c1cc[n+](Cc2ccc(C[n+]3ccc(/C=N/O)cc3)cc2)cc1
8.1	OCHEM	2	1	NC(=O)c1cc[n+](Cc2ccc(C[n+]3ccc(/C=N/O)cc3)cc2)cc1	NC(=O)c1cc[n+](Cc2ccc(C[n+]3ccc(/C=N/[O-])cc3)cc2)cc1	mol17962	NC(=O)c1cc[n+](Cc2ccc(C[n+]3ccc(/C=N/O)cc3)cc2)cc1
8.09	OCHEM	2	1	NC(=O)c1cc[n+](Cc2ccc(C[n+]3ccc(/C=N/O)cc3)cc2)cc1	NC(=O)c1cc[n+](Cc2ccc(C[n+]3ccc(/C=N/[O-])cc3)cc2)cc1	mol17962	NC(=O)c1cc[n+](Cc2ccc(C[n+]3ccc(/C=N/O)cc3)cc2)cc1