[
  {
    "molid": "mol31443",
    "smiles": "O=C(NO)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NO)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO",
        "std_free_energy": -6.742374420166016,
        "relative_population": 1.0
      },
      {
        "id": "-1_7",
        "charge": -1,
        "smiles": "O=C(N[O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO",
        "std_free_energy": -1.0423500537872314,
        "relative_population": 0.6055241521655067
      },
      {
        "id": "-1_8",
        "charge": -1,
        "smiles": "O=C([N-]O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO",
        "std_free_energy": -0.5958175659179688,
        "relative_population": 0.38744037357093786
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9399995803833,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.94,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]