pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	IUPAC digitized pKa	1	0	ClCC[NH+](CCCl)CCCc1ccccc1	ClCCN(CCCl)CCCc1ccccc1	mol6126	ClCCN(CCCl)CCCc1ccccc1