[
  {
    "molid": "mol36734",
    "smiles": "O=C(O)c1nnc(O)nc1O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C(O)c1nnc(O)nc1O",
        "std_free_energy": -1.2353044748306274,
        "relative_population": 0.9999803473074047
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C([O-])c1nnc(O)nc1O",
        "std_free_energy": -10.296648025512695,
        "relative_population": 0.9785609543362295
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.29999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]