[
  {
    "molid": "mol9143",
    "smiles": "O=C(O)c1nnc(C(=O)O)nn1",
    "microspecies": [
      {
        "id": "0_6",
        "charge": 0,
        "smiles": "O=C(O)c1nnc(C(=O)O)nn1",
        "std_free_energy": 7.677206993103027,
        "relative_population": 0.9668593617342366
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1nnc(C(=O)O)nn1",
        "std_free_energy": -8.507226943969727,
        "relative_population": 0.9746179564669494
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]