[
  {
    "molid": "mol13715",
    "smiles": "O=c1ccc2ccc(O)c(O)c2o1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1ccc2ccc(O)c(O)c2o1",
        "std_free_energy": -4.829019546508789,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1ccc2ccc([O-])c(O)c2o1",
        "std_free_energy": -3.6830761432647705,
        "relative_population": 0.7458864647248737
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1ccc2ccc(O)c([O-])c2o1",
        "std_free_energy": -2.6062839031219482,
        "relative_population": 0.2541135352751263
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.9000001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.44000005722046,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]