[
  {
    "molid": "mol9644",
    "smiles": "Oc1ccc(O)c(Br)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccc(O)c(Br)c1",
        "std_free_energy": -6.8278727531433105,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc(O)c(Br)c1",
        "std_free_energy": -1.1717605590820312,
        "relative_population": 0.483026174949828
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1ccc(O)cc1Br",
        "std_free_energy": -1.2396819591522217,
        "relative_population": 0.516973825050172
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1ccc([O-])c(Br)c1",
        "std_free_energy": 8.068079948425293,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.78,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.67,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.6700001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 10.77,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.68,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]