pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.85	OCHEM	1	0	CCC(=O)N(c1ccccc1)C1(COC)CC[NH+](CCc2cccs2)CC1	CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1	mol163	CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1