[
  {
    "molid": "mol26079",
    "smiles": "CN(O)c1cc[n+]([O-])c2ccccc12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(O)c1cc[n+]([O-])c2ccccc12",
        "std_free_energy": -8.446015357971191,
        "relative_population": 0.999997044174128
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN([O-])c1cc[n+]([O-])c2ccccc12",
        "std_free_energy": -1.0947015285491943,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.785,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]