pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.84	Datawarrior	2	1	Cc1cc(-c2ccccc2)n[n+](CC[NH+]2CCOCC2)c1N	Cc1cc(-c2ccccc2)n[n+](CCN2CCOCC2)c1N	mol15029	Cc1cc(-c2ccccc2)n[n+](CCN2CCOCC2)c1N
4.8400002	OCHEM	2	1	Cc1cc(-c2ccccc2)n[n+](CC[NH+]2CCOCC2)c1N	Cc1cc(-c2ccccc2)n[n+](CCN2CCOCC2)c1N	mol15029	Cc1cc(-c2ccccc2)n[n+](CCN2CCOCC2)c1N