[
  {
    "molid": "mol9360",
    "smiles": "O=C(NO)c1ncccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NO)c1ncccn1",
        "std_free_energy": -7.238748550415039,
        "relative_population": 0.999999967301517
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(N[O-])c1ncccn1",
        "std_free_energy": -4.907317161560059,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.88,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.88000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]