[
  {
    "molid": "mol35873",
    "smiles": "CCOC(=O)/C=C/c1cc(Br)c(O)c(Br)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)/C=C/c1cc(Br)c(O)c(Br)c1O",
        "std_free_energy": -2.552722692489624,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)/C=C/c1cc(Br)c([O-])c(Br)c1O",
        "std_free_energy": -5.322949409484863,
        "relative_population": 0.765397933942863
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCOC(=O)/C=C/c1cc(Br)c(O)c(Br)c1[O-]",
        "std_free_energy": -4.140444278717041,
        "relative_population": 0.23460206605713704
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCOC(=O)/C=C/c1cc(Br)c([O-])c(Br)c1[O-]",
        "std_free_energy": 4.0583977699279785,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.39999961853027,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]