[
  {
    "molid": "mol25601",
    "smiles": "O=[N+]([O-])c1ccc(Nc2[nH]nnc2-c2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(Nc2[nH]nnc2-c2ccccc2)cc1",
        "std_free_energy": -5.896425247192383,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(Nc2[n-]nnc2-c2ccccc2)cc1",
        "std_free_energy": -5.096886157989502,
        "relative_population": 0.9932536512328822
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]