[
  {
    "molid": "mol37555",
    "smiles": "O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O",
        "std_free_energy": -5.434305191040039,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1[O-]",
        "std_free_energy": -2.2175137996673584,
        "relative_population": 0.2670113085830481
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(/C=C/c1ccc(O)cc1)c1ccc([O-])cc1O",
        "std_free_energy": -2.9452433586120605,
        "relative_population": 0.5528134322292669
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(/C=C/c1ccc([O-])cc1)c1ccc(O)cc1O",
        "std_free_energy": -1.8241528272628784,
        "relative_population": 0.180175259187685
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]