[
  {
    "molid": "mol26247",
    "smiles": "OC1=Nc2c(O)ncnc2NC1O",
    "microspecies": [
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        "id": "-1_2",
        "charge": -1,
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        "id": "-2_3",
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        "smiles": "[O-]C1=Nc2c([O-])ncnc2N[C@@H]1O",
        "std_free_energy": 6.615128517150879,
        "relative_population": 0.10165772068385114
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      {
        "id": "-2_8",
        "charge": -2,
        "smiles": "OC1=Nc2c(O)ncnc2[N-][C-]1O",
        "std_free_energy": 5.959231376647949,
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      {
        "id": "-2_9",
        "charge": -2,
        "smiles": "[O-]C1=Nc2c(O)ncnc2N[C-]1O",
        "std_free_energy": 6.643286228179932,
        "relative_population": 0.09883519635876586
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      {
        "id": "-2_10",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 10.08,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 8.34,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]