[
  {
    "molid": "mol33795",
    "smiles": "Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2",
        "std_free_energy": -6.64634895324707,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)ccc1O",
        "std_free_energy": -0.8786713480949402,
        "relative_population": 0.17111932590521314
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2",
        "std_free_energy": -1.672790765762329,
        "relative_population": 0.3786001152262494
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      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[O-]c1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc1O",
        "std_free_energy": -1.1032946109771729,
        "relative_population": 0.21421590072568575
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      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "[O-]c1cc(O)cc2c1C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2",
        "std_free_energy": -1.199520468711853,
        "relative_population": 0.23585335766532256
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.72000026702881,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]