pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	Baltruschat ChEMBL	1	0	CCCCCCCCCCCC[NH+]1CCOCC1	CCCCCCCCCCCCN1CCOCC1	mol21648	CCCCCCCCCCCCN1CCOCC1
