[
  {
    "molid": "mol10853",
    "smiles": "O=C(O)C=Cc1ccc(O)c(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C=Cc1ccc(O)c(O)c1",
        "std_free_energy": -3.6700387001037598,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C=Cc1ccc(O)c(O)c1",
        "std_free_energy": -9.321675300598145,
        "relative_population": 0.9992443924622372
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])C=Cc1ccc(O)c([O-])c1",
        "std_free_energy": -2.1662235260009766,
        "relative_population": 0.4686615687086245
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])C=Cc1ccc([O-])c(O)c1",
        "std_free_energy": -2.2917346954345703,
        "relative_population": 0.5313346642279083
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.62,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.49,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.555,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.61999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.48999977111816,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.07,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.76,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.69999980926514,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.76000022888184,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]