[
  {
    "molid": "mol31445",
    "smiles": "O=C(NO)c1cccc(Br)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NO)c1cccc(Br)c1",
        "std_free_energy": -6.19034481048584,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([N-]O)c1cccc(Br)c1",
        "std_free_energy": -0.8075425624847412,
        "relative_population": 0.302073391070767
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(N[O-])c1cccc(Br)c1",
        "std_free_energy": -1.6449865102767944,
        "relative_population": 0.6979266089292331
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.43,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]