pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.014	IUPAC digitized pKa	0	-1	CC(C)[C@H](C#N)C(=O)O	CC(C)[C@H](C#N)C(=O)[O-]	mol9760	CC(C)C(C#N)C(=O)O
2.299	IUPAC digitized pKa	0	-1	CC(C)[C@H](C#N)C(=O)O	CC(C)[C@H](C#N)C(=O)[O-]	mol9760	CC(C)C(C#N)C(=O)O
2.32	IUPAC digitized pKa	0	-1	CC(C)[C@H](C#N)C(=O)O	CC(C)[C@H](C#N)C(=O)[O-]	mol9760	CC(C)C(C#N)C(=O)O
2.343	IUPAC digitized pKa	0	-1	CC(C)[C@H](C#N)C(=O)O	CC(C)[C@H](C#N)C(=O)[O-]	mol9760	CC(C)C(C#N)C(=O)O
2.365	IUPAC digitized pKa	0	-1	CC(C)[C@H](C#N)C(=O)O	CC(C)[C@H](C#N)C(=O)[O-]	mol9760	CC(C)C(C#N)C(=O)O
2.427	IUPAC digitized pKa	0	-1	CC(C)[C@H](C#N)C(=O)O	CC(C)[C@H](C#N)C(=O)[O-]	mol9760	CC(C)C(C#N)C(=O)O
2.452	IUPAC digitized pKa	0	-1	CC(C)[C@H](C#N)C(=O)O	CC(C)[C@H](C#N)C(=O)[O-]	mol9760	CC(C)C(C#N)C(=O)O
2.481	IUPAC digitized pKa	0	-1	CC(C)[C@H](C#N)C(=O)O	CC(C)[C@H](C#N)C(=O)[O-]	mol9760	CC(C)C(C#N)C(=O)O
2.511	IUPAC digitized pKa	0	-1	CC(C)[C@H](C#N)C(=O)O	CC(C)[C@H](C#N)C(=O)[O-]	mol9760	CC(C)C(C#N)C(=O)O
2.4	OCHEM	0	-1	CC(C)[C@H](C#N)C(=O)O	CC(C)[C@H](C#N)C(=O)[O-]	mol9760	CC(C)C(C#N)C(=O)O
2.40000009536743	QSARToolbox	0	-1	CC(C)[C@H](C#N)C(=O)O	CC(C)[C@H](C#N)C(=O)[O-]	mol9760	CC(C)C(C#N)C(=O)O