[
  {
    "molid": "mol31447",
    "smiles": "O=[N+]([O-])c1cccc(S(=O)(=O)NO)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1cccc(S(=O)(=O)NO)c1",
        "std_free_energy": -6.189093589782715,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1cccc(S(=O)(=O)[N-]O)c1",
        "std_free_energy": -1.030718207359314,
        "relative_population": 0.7036265880513342
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1cccc(S(=O)(=O)N[O-])c1",
        "std_free_energy": -0.16609059274196625,
        "relative_population": 0.29637341194866584
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]