pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.36	Datawarrior	0	-1	CC(C)(C)OOCCC(=O)O	CC(C)(C)OOCCC(=O)[O-]	mol14042	CC(C)(C)OOCCC(=O)O
4.3600001	OCHEM	0	-1	CC(C)(C)OOCCC(=O)O	CC(C)(C)OOCCC(=O)[O-]	mol14042	CC(C)(C)OOCCC(=O)O
4.3600001335144	QSARToolbox	0	-1	CC(C)(C)OOCCC(=O)O	CC(C)(C)OOCCC(=O)[O-]	mol14042	CC(C)(C)OOCCC(=O)O