pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.18	Datawarrior	0	-1	CC(C)=CC[C@@H]1C(=O)[C@H](C(=O)CC(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	CC(C)=CC[C-]1C(=O)[C@H](C(=O)CC(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O,CC(C)=CC[C@@H]1C(=O)[C-](C(=O)CC(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	mol15120	CC(C)=CCC1C(=O)C(C(=O)CC(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O
6.1799998	OCHEM	0	-1	CC(C)=CC[C@@H]1C(=O)[C@H](C(=O)CC(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	CC(C)=CC[C-]1C(=O)[C@H](C(=O)CC(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O,CC(C)=CC[C@@H]1C(=O)[C-](C(=O)CC(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O	mol15120	CC(C)=CCC1C(=O)C(C(=O)CC(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O