pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.85	IUPAC digitized pKa	2	1	C[NH+]1CCCC[C@H]1CC[NH+](C1CCCCC1)C1CCCCC1	CN1CCCC[C@H]1CC[NH+](C1CCCCC1)C1CCCCC1,C[NH+]1CCCC[C@H]1CCN(C1CCCCC1)C1CCCCC1	mol5965	CN1CCCCC1CCN(C1CCCCC1)C1CCCCC1