[
  {
    "molid": "mol12947",
    "smiles": "COc1cccc(O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc(O)c1O",
        "std_free_energy": -7.406744003295898,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cccc(O)c1[O-]",
        "std_free_energy": -0.15956303477287292,
        "relative_population": 0.4344065011896385
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1cccc([O-])c1O",
        "std_free_energy": -0.42345792055130005,
        "relative_population": 0.5655934988103615
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1cccc([O-])c1[O-]",
        "std_free_energy": 12.130461692810059,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.28,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.2799997,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.27999973297119,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.32,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 13.6,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]