pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.96	OCHEM	1	0	[NH3+]c1ccc(C2CCCCC2)cc1	Nc1ccc(C2CCCCC2)cc1	mol2535	Nc1ccc(C2CCCCC2)cc1
