[
  {
    "molid": "mol37068",
    "smiles": "COc1cc(/C=C/C(=O)C=C(O)/C=C/c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O",
        "std_free_energy": -4.499751091003418,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O",
        "std_free_energy": -1.441096544265747,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.2600002288818,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]