[
  {
    "molid": "mol37623",
    "smiles": "OC[C@]12NC(=S)O[C@H]1[C@H](O)[C@H](O)CO2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OC[C@]12NC(=S)O[C@H]1[C@H](O)[C@H](O)CO2",
        "std_free_energy": -6.86438512802124,
        "relative_population": 0.9999999906910232
      },
      {
        "id": "-1_6",
        "charge": -1,
        "smiles": "OC[C@]12[N-]C(=S)O[C@H]1[C@H](O)[C@H](O)CO2",
        "std_free_energy": -0.5440142750740051,
        "relative_population": 0.9972995173960476
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.39999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]