[
  {
    "molid": "mol35544",
    "smiles": "Nc1cccc(-c2cccc(Cl)n2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccc(-c2cccc(Cl)n2)n1",
        "std_free_energy": -6.669372081756592,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
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        "smiles": "Nc1cccc(-c2cccc(Cl)n2)[nH+]1",
        "std_free_energy": -2.48030948638916,
        "relative_population": 0.5152269018095775
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      {
        "id": "1_2",
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        "smiles": "[NH3+]c1cccc(-c2cccc(Cl)n2)n1",
        "std_free_energy": -2.0755834579467773,
        "relative_population": 0.34373855752606164
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      {
        "id": "1_3",
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        "smiles": "Nc1cccc(-c2cccc(Cl)[nH+]2)n1",
        "std_free_energy": -1.1847069263458252,
        "relative_population": 0.14103454066436077
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    ],
    "macro_pka_values": [
      {
        "pka_value": 5.69999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]