[
  {
    "molid": "mol36029",
    "smiles": "Cc1nnn(-c2ccccc2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nnn(-c2ccccc2)n1",
        "std_free_energy": -8.358940124511719,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
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        "smiles": "Cc1n[nH+]n(-c2ccccc2)n1",
        "std_free_energy": 12.472704887390137,
        "relative_population": 0.06487738119581155
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1nn(-c2ccccc2)n[nH+]1",
        "std_free_energy": 10.638703346252441,
        "relative_population": 0.40605985965882635
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      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1nnn(-c2ccccc2)[nH+]1",
        "std_free_energy": 10.374096870422363,
        "relative_population": 0.529062759145362
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.90000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]