pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	OCHEM	1	0	CC[NH+](CCCOCCOCCc1ccccc1)CCc1ccc(O)c2nc(O)sc12	CC[NH+](CCCOCCOCCc1ccccc1)CCc1ccc([O-])c2nc(O)sc12,CC[NH+](CCCOCCOCCc1ccccc1)CCc1ccc(O)c2nc([O-])sc12	mol31935	CCN(CCCOCCOCCc1ccccc1)CCc1ccc(O)c2nc(O)sc12