pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.8	Datawarrior	0	-1	CC[C@H](CC(C)C)OO	CC[C@H](CC(C)C)O[O-]	mol13475	CCC(CC(C)C)OO
12.8000001907349	QSARToolbox	0	-1	CC[C@H](CC(C)C)OO	CC[C@H](CC(C)C)O[O-]	mol13475	CCC(CC(C)C)OO