pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.1	IUPAC digitized pKa	2	1	C[NH+]1CCCC[C@@H]1CC[NH+](CC1CCCCC1)CC1CCCCC1	CN1CCCC[C@@H]1CC[NH+](CC1CCCCC1)CC1CCCCC1,C[NH+]1CCCC[C@@H]1CCN(CC1CCCCC1)CC1CCCCC1	mol5964	CN1CCCCC1CCN(CC1CCCCC1)CC1CCCCC1