[
  {
    "molid": "mol10695",
    "smiles": "O=C(NO)C1C2CCC(O2)C1C(=O)NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NO)[C@@H]1[C@@H](C(=O)NO)[C@H]2CC[C@@H]1O2",
        "std_free_energy": -6.747215270996094,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(NO)[C@@H]1[C@@H](C(=O)N[O-])[C@H]2CC[C@@H]1O2",
        "std_free_energy": -0.2612425684928894,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.3000002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.30000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]