pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.73	AttenGpKa training set	0	-1	C=C(C)[C@H](C)C(C)(C)C(=O)O	C=C(C)[C@H](C)C(C)(C)C(=O)[O-]	mol22340	C=C(C)C(C)C(C)(C)C(=O)O
