[
  {
    "molid": "mol16550",
    "smiles": "O=C(O)[C@@H]1C[C@H](Oc2cccc(Cl)c2)CN1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])[C@@H]1C[C@H](Oc2cccc(Cl)c2)C[NH2+]1",
        "std_free_energy": -11.67123794555664,
        "relative_population": 0.9999704807240083
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]1C[C@H](Oc2cccc(Cl)c2)CN1",
        "std_free_energy": -6.001180171966553,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]