[
  {
    "molid": "mol29021",
    "smiles": "O=P(O)(O)Oc1ccc(Br)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(O)Oc1ccc(Br)cc1",
        "std_free_energy": -12.562407493591309,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])([O-])Oc1ccc(Br)cc1",
        "std_free_energy": -12.470569610595703,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.44,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]