[
  {
    "molid": "mol38224",
    "smiles": "Nc1cccc2nnn([C@H]3C[C@H](O)[C@@H](CO)O3)c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccc2nnn([C@H]3C[C@H](O)[C@@H](CO)O3)c12",
        "std_free_energy": -7.725189208984375,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1cccc2n[nH+]n([C@H]3C[C@H](O)[C@@H](CO)O3)c12",
        "std_free_energy": 3.8429737091064453,
        "relative_population": 0.5349563021148024
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      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Nc1cccc2[nH+]nn([C@H]3C[C@H](O)[C@@H](CO)O3)c12",
        "std_free_energy": 4.562976360321045,
        "relative_population": 0.26039049654238305
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "[NH3+]c1cccc2nnn([C@H]3C[C@H](O)[C@@H](CO)O3)c12",
        "std_free_energy": 5.036703586578369,
        "relative_population": 0.1621391938806072
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    ],
    "macro_pka_values": [
      {
        "pka_value": 1.79999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]