[
  {
    "molid": "mol8344",
    "smiles": "Nc1ncnc2c1nnn2Cc1ccccc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1nc[nH+]c2c1nnn2Cc1ccccc1",
        "std_free_energy": 3.3924872875213623,
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        "smiles": "Nc1[nH+]cnc2c1nnn2Cc1ccccc1",
        "std_free_energy": 3.0729756355285645,
        "relative_population": 0.19861534685843574
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      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+]c1ncnc2c1nnn2Cc1ccccc1",
        "std_free_energy": 3.7120847702026367,
        "relative_population": 0.10482170813926633
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        "id": "1_4",
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        "smiles": "Nc1ncnc2c1n[nH+]n2Cc1ccccc1",
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        "id": "1_5",
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        "smiles": "Nc1ncnc2c1[nH+]nn2Cc1ccccc1",
        "std_free_energy": 3.6478159427642822,
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        "id": "2_6",
        "charge": 2,
        "smiles": "Nc1[nH+]cnc2c1n[nH+]n2Cc1ccccc1",
        "std_free_energy": 17.960237503051758,
        "relative_population": 0.05036841124314375
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      {
        "id": "2_9",
        "charge": 2,
        "smiles": "Nc1[nH+]c[nH+]c2c1nnn2Cc1ccccc1",
        "std_free_energy": 17.715343475341797,
        "relative_population": 0.06434493657491418
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      {
        "id": "2_10",
        "charge": 2,
        "smiles": "Nc1ncnc2c1[nH+][nH+]n2Cc1ccccc1",
        "std_free_energy": 15.198323249816895,
        "relative_population": 0.7973378337857753
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    ],
    "macro_pka_values": [
      {
        "pka_value": -0.05,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]