pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.24	Datawarrior	0	-1	CC(C)(C)P(=O)(O)C(C)(C)C	CC(C)(C)P(=O)([O-])C(C)(C)C	mol14048	CC(C)(C)P(=O)(O)C(C)(C)C
4.2399998	OCHEM	0	-1	CC(C)(C)P(=O)(O)C(C)(C)C	CC(C)(C)P(=O)([O-])C(C)(C)C	mol14048	CC(C)(C)P(=O)(O)C(C)(C)C
4.23999977111816	QSARToolbox	0	-1	CC(C)(C)P(=O)(O)C(C)(C)C	CC(C)(C)P(=O)([O-])C(C)(C)C	mol14048	CC(C)(C)P(=O)(O)C(C)(C)C
4.2	AttenGpKa training set	0	-1	CC(C)(C)P(=O)(O)C(C)(C)C	CC(C)(C)P(=O)([O-])C(C)(C)C	mol14048	CC(C)(C)P(=O)(O)C(C)(C)C