[
  {
    "molid": "mol13800",
    "smiles": "Oc1onc(-c2ccccc2)c1Br",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1onc(-c2ccccc2)c1Br",
        "std_free_energy": -2.0174288749694824,
        "relative_population": 0.9933535705871078
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1onc(-c2ccccc2)c1Br",
        "std_free_energy": -11.891457557678223,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]