pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.96	IUPAC digitized pKa	2	1	CCCCC[NH+](CC[N+]1(C)CCCCC1)c1ccccc1	CCCCCN(CC[N+]1(C)CCCCC1)c1ccccc1	mol1705	CCCCCN(CC[N+]1(C)CCCCC1)c1ccccc1