[
  {
    "molid": "mol7856",
    "smiles": "O=C(O)C1(O)NC=Nc2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])[C@]1(O)NC=[NH+]c2ccccc21",
        "std_free_energy": -8.966911315917969,
        "relative_population": 0.9920118655424169
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@]1(O)NC=Nc2ccccc21",
        "std_free_energy": -10.01763916015625,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.82,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]