pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.82	IUPAC digitized pKa	2	1	CCC[NH+](CC[N+]1(C)CCCCC1)c1ccccc1	CCCN(CC[N+]1(C)CCCCC1)c1ccccc1	mol1707	CCCN(CC[N+]1(C)CCCCC1)c1ccccc1