[
  {
    "molid": "mol25512",
    "smiles": "Cc1nc([N+](=O)[O-])c(Br)[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc([N+](=O)[O-])c(Br)[nH]1",
        "std_free_energy": -5.533703327178955,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH]c(Br)c([N+](=O)[O-])[nH+]1",
        "std_free_energy": 7.633326530456543,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.55,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]