pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.92	OCHEM	1	0	CCN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCC[NH+](CC)Cc1ccccc1Cl)Cc1ccccc1Cl	CCN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(CC)Cc1ccccc1Cl)Cc1ccccc1Cl	mol31927	CCN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(CC)Cc1ccccc1Cl)Cc1ccccc1Cl