pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.69	Datawarrior	0	-1	C[C@@H]1CC[C@H](C)[C@H]1C(=O)O	C[C@@H]1CC[C@H](C)[C@H]1C(=O)[O-]	mol12914	C[C@@H]1CC[C@H](C)[C@H]1C(=O)O
4.69000005722046	QSARToolbox	0	-1	C[C@@H]1CC[C@H](C)[C@H]1C(=O)O	C[C@@H]1CC[C@H](C)[C@H]1C(=O)[O-]	mol12914	C[C@@H]1CC[C@H](C)[C@H]1C(=O)O