[
  {
    "molid": "mol33178",
    "smiles": "CN(C)c1ccc(N=Nc2ccc(C(=O)O)cc2)cc1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CN(C)c1ccc(N=Nc2ccc(C(=O)O)cc2)cc1",
        "std_free_energy": -5.042198181152344,
        "relative_population": 0.7892222562709299
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        "id": "0_4",
        "charge": 0,
        "smiles": "C[NH+](C)c1ccc(N=Nc2ccc(C(=O)[O-])cc2)cc1",
        "std_free_energy": -3.702791213989258,
        "relative_population": 0.20677701856035466
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        "id": "1_1",
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        "smiles": "C[NH+](C)c1ccc(N=Nc2ccc(C(=O)O)cc2)cc1",
        "std_free_energy": 3.4585208892822266,
        "relative_population": 0.6907175350688898
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      {
        "id": "1_6",
        "charge": 1,
        "smiles": "CN(C)c1ccc([NH+]=Nc2ccc(C(=O)O)cc2)cc1",
        "std_free_energy": 5.623092174530029,
        "relative_population": 0.07929377910129498
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      {
        "id": "1_7",
        "charge": 1,
        "smiles": "CN(C)c1ccc(N=[NH+]c2ccc(C(=O)O)cc2)cc1",
        "std_free_energy": 4.657555103302002,
        "relative_population": 0.20824114291891918
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.35,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]