pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.68	Datawarrior	0	-1	CCOC(=O)[C@H]1CCCC1=O	CCOC(=O)[C@H]1CC[CH-]C1=O,CCOC(=O)[C-]1CCCC1=O	mol14128	CCOC(=O)C1CCCC1=O
10.26	AttenGpKa training set	0	-1	CCOC(=O)[C@H]1CCCC1=O	CCOC(=O)[C@H]1CC[CH-]C1=O,CCOC(=O)[C-]1CCCC1=O	mol14128	CCOC(=O)C1CCCC1=O