[
  {
    "molid": "mol28920",
    "smiles": "O=P(O)(O)CBr",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P(O)(O)CBr",
        "std_free_energy": -0.9738785028457642,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(O)CBr",
        "std_free_energy": -12.070419311523438,
        "relative_population": 0.9999862362643297
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=P([O-])([O-])CBr",
        "std_free_energy": -13.098557472229004,
        "relative_population": 0.9999996099531313
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.14,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.13999998569489,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.52,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.51999998092651,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]