[
  {
    "molid": "mol35704",
    "smiles": "Cc1ccc2[nH]cc(CC(N)C(=O)O)c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc2[nH]cc(C[C@@H]([NH3+])C(=O)[O-])c2c1",
        "std_free_energy": -12.958488464355469,
        "relative_population": 0.9999749969028959
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc2[nH]cc(C[C@@H]([NH3+])C(=O)O)c2c1",
        "std_free_energy": -3.270195722579956,
        "relative_population": 0.9864039224366271
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.59999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]