pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6	OCHEM	1	0	C[C@@H]([NH2+]C(C)(C)C)C(=O)c1cccc(Cl)c1	C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1	mol388	CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
8.2	OCHEM	1	0	C[C@@H]([NH2+]C(C)(C)C)C(=O)c1cccc(Cl)c1	C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1	mol388	CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
8.35	OCHEM	1	0	C[C@@H]([NH2+]C(C)(C)C)C(=O)c1cccc(Cl)c1	C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1	mol388	CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1