pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.28	OCHEM	2	1	[OH+]=c1c2ccccc2n(CCCC[NH+]2CCCC2)c2ccc(Cl)cc12	O=c1c2ccccc2n(CCCC[NH+]2CCCC2)c2ccc(Cl)cc12	mol17153	O=c1c2ccccc2n(CCCCN2CCCC2)c2ccc(Cl)cc12