pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6	IUPAC digitized pKa	1	0	CCC[NH+](CCC)CCc1c[nH]c2ccccc12	CCCN(CCC)CCc1c[nH]c2ccccc12	mol4317	CCCN(CCC)CCc1c[nH]c2ccccc12
8.6000004	OCHEM	1	0	CCC[NH+](CCC)CCc1c[nH]c2ccccc12	CCCN(CCC)CCc1c[nH]c2ccccc12	mol4317	CCCN(CCC)CCc1c[nH]c2ccccc12