pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.6	Baltruschat ChEMBL	0	-1	CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(=O)C[C@@H]21	CCCCCCC(C)(C)c1cc([O-])c2c(c1)OC(C)(C)[C@H]1CCC(=O)C[C@@H]21	mol21128	CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(=O)CC21