[
  {
    "molid": "mol30910",
    "smiles": "COc1ccc2c(c1)OC/C(=C\\c1ccc(O)c(O)c1)C2=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2c(c1)OC/C(=C\\c1ccc(O)c(O)c1)C2=O",
        "std_free_energy": -6.587474346160889,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc2c(c1)OC/C(=C\\c1ccc([O-])c(O)c1)C2=O",
        "std_free_energy": -0.84958416223526,
        "relative_population": 0.6543202031100838
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc2c(c1)OC/C(=C\\c1ccc(O)c([O-])c1)C2=O",
        "std_free_energy": -0.21150022745132446,
        "relative_population": 0.34567979688991635
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1ccc2c(c1)OC/C(=C\\c1ccc([O-])c([O-])c1)C2=O",
        "std_free_energy": 11.16379165649414,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 11.2,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]