pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.55	IUPAC digitized pKa	1	0	ClCC[NH+](CCCl)Cc1cc(Cl)cc2c1OCOC2	ClCCN(CCCl)Cc1cc(Cl)cc2c1OCOC2	mol7794	ClCCN(CCCl)Cc1cc(Cl)cc2c1OCOC2