[
  {
    "molid": "mol36724",
    "smiles": "O=C(O)c1ccccc1C1CC(c2ccccc2)=NN1c1ccccc1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C([O-])c1ccccc1[C@@H]1CC(c2ccccc2)=[NH+]N1c1ccccc1",
        "std_free_energy": -6.766391277313232,
        "relative_population": 0.9108574253598957
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccccc1[C@@H]1CC(c2ccccc2)=NN1c1ccccc1",
        "std_free_energy": -8.988210678100586,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.70000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]