[
  {
    "molid": "mol4819",
    "smiles": "Cc1ncnc2ncc(O)nc12",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "Cc1ncnc2ncc(O)nc12",
        "std_free_energy": -6.269437789916992,
        "relative_population": 0.9995000581605765
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ncnc2ncc([O-])nc12",
        "std_free_energy": -3.845942735671997,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]