[
  {
    "molid": "mol10935",
    "smiles": "O=C(O)c1cccc2nccnc12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)c1cccc2nccnc12",
        "std_free_energy": -6.723496913909912,
        "relative_population": 0.9964095419252536
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1cccc2nccnc12",
        "std_free_energy": -12.025660514831543,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.026,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]