pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.05	Datawarrior	0	-1	O=C1CC[C@@H](Cl)C1=O	O=C1[CH-]C[C@@H](Cl)C1=O,O=C1CC[C-](Cl)C1=O	mol12339	O=C1CCC(Cl)C1=O
7.0500002	OCHEM	0	-1	O=C1CC[C@@H](Cl)C1=O	O=C1[CH-]C[C@@H](Cl)C1=O,O=C1CC[C-](Cl)C1=O	mol12339	O=C1CCC(Cl)C1=O