[
  {
    "molid": "mol9627",
    "smiles": "O=C(O)c1cnncc1C(=O)O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C(O)c1cnncc1C(=O)O",
        "std_free_energy": -1.241097331047058,
        "relative_population": 0.9998161844065611
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1cnncc1C(=O)O",
        "std_free_energy": -10.364117622375488,
        "relative_population": 0.998499890549797
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]