[
  {
    "molid": "mol34073",
    "smiles": "O=C(O)c1cc2c([nH]1)-c1cccnc1C(=O)C2=O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)c1cc2c([nH]1)-c1cccnc1C(=O)C2=O",
        "std_free_energy": -4.299665451049805,
        "relative_population": 0.9534123037660788
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1cc2c([nH]1)-c1cccnc1C(=O)C2=O",
        "std_free_energy": -10.14592170715332,
        "relative_population": 0.9978494836813689
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]