[
  {
    "molid": "mol5605",
    "smiles": "O=C(O)c1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1ccc(Cl)cc1",
        "std_free_energy": -3.459275722503662,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccc(Cl)cc1",
        "std_free_energy": -9.507277488708496,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.988,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.98,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.99,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.82,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.97,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      },
      {
        "pka_value": 3.99000000953674,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
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        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.0,
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        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.26999998092651,
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        "data_source": "QSARToolbox"
      },
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        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.95000004768372,
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        "data_source": "QSARToolbox"
      },
      {
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        "data_source": "QSARToolbox"
      },
      {
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        "data_source": "QSARToolbox"
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      {
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      {
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        "pka_value": 4.82000017166138,
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      {
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        "pka_value": 5.92999982833862,
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      {
        "pka_value": 5.07999992370606,
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        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.25,
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        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.46000003814697,
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      {
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        "data_source": "QSARToolbox"
      }
    ]
  }
]