pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9	IUPAC digitized pKa	1	0	CC[C@@](C)(C[NH+](C)C)OC(=O)c1ccccc1	CC[C@@](C)(CN(C)C)OC(=O)c1ccccc1	mol5226	CCC(C)(CN(C)C)OC(=O)c1ccccc1
8.09	OCHEM	1	0	CC[C@@](C)(C[NH+](C)C)OC(=O)c1ccccc1	CC[C@@](C)(CN(C)C)OC(=O)c1ccccc1	mol5226	CCC(C)(CN(C)C)OC(=O)c1ccccc1
8.89999961853027	QSARToolbox	1	0	CC[C@@](C)(C[NH+](C)C)OC(=O)c1ccccc1	CC[C@@](C)(CN(C)C)OC(=O)c1ccccc1	mol5226	CCC(C)(CN(C)C)OC(=O)c1ccccc1