pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	IUPAC digitized pKa	1	0	CC[NH+](CCO)C[C@H](C)O	CCN(CCO)C[C@H](C)O	mol5886	CCN(CCO)CC(C)O
8.75	IUPAC digitized pKa	1	0	CC[NH+](CCO)C[C@H](C)O	CCN(CCO)C[C@H](C)O	mol5886	CCN(CCO)CC(C)O
8.4	IUPAC digitized pKa	1	0	CC[NH+](CCO)C[C@H](C)O	CCN(CCO)C[C@H](C)O	mol5886	CCN(CCO)CC(C)O
8.45	IUPAC digitized pKa	1	0	CC[NH+](CCO)C[C@H](C)O	CCN(CCO)C[C@H](C)O	mol5886	CCN(CCO)CC(C)O
8.1	IUPAC digitized pKa	1	0	CC[NH+](CCO)C[C@H](C)O	CCN(CCO)C[C@H](C)O	mol5886	CCN(CCO)CC(C)O
8.8999996	OCHEM	1	0	CC[NH+](CCO)C[C@H](C)O	CCN(CCO)C[C@H](C)O	mol5886	CCN(CCO)CC(C)O
8.89999961853027	QSARToolbox	1	0	CC[NH+](CCO)C[C@H](C)O	CCN(CCO)C[C@H](C)O	mol5886	CCN(CCO)CC(C)O