[
  {
    "molid": "mol2948",
    "smiles": "Fc1ccc2c(/C=C/c3nn[nH]n3)c[nH]c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Fc1ccc2c(/C=C/c3nn[nH]n3)c[nH]c2c1",
        "std_free_energy": -5.59941291809082,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Fc1ccc2c(/C=C/c3nn[n-]n3)c[nH]c2c1",
        "std_free_energy": -7.353057861328125,
        "relative_population": 0.9999997068150404
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.94,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]