[
  {
    "molid": "mol38612",
    "smiles": "O=C(CCl)NC(Cc1ccc(O)cc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CCl)N[C@@H](Cc1ccc(O)cc1)C(=O)O",
        "std_free_energy": -3.1752471923828125,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(CCl)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]",
        "std_free_energy": -9.897582054138184,
        "relative_population": 0.999513350924973
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]