[
  {
    "molid": "mol12471",
    "smiles": "CC(=NO)C(=O)NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=NO)C(=O)NO",
        "std_free_energy": -6.385529041290283,
        "relative_population": 0.9999997053313608
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      {
        "id": "-1_1",
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        "smiles": "CC(=NO)C(=O)N[O-]",
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        "relative_population": 0.6767876980431964
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      {
        "id": "-1_2",
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        "std_free_energy": -2.0119407176971436,
        "relative_population": 0.3232123019568036
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        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(=N[O-])C(=O)N[O-]",
        "std_free_energy": 9.809587478637695,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.74,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.7399998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.15999984741211,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.32999992370606,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]