[
  {
    "molid": "mol32329",
    "smiles": "O=C(O)c1ccc(N=Cc2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])c1ccc([NH+]=Cc2ccccc2)cc1",
        "std_free_energy": -4.226817607879639,
        "relative_population": 0.2649816159035065
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        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)c1ccc(N=Cc2ccccc2)cc1",
        "std_free_energy": -5.2470526695251465,
        "relative_population": 0.7350183840964936
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        "id": "1_1",
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        "smiles": "O=C(O)c1ccc([NH+]=Cc2ccccc2)cc1",
        "std_free_energy": 5.22993803024292,
        "relative_population": 0.6332956584509096
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      {
        "id": "1_2",
        "charge": 1,
        "smiles": "OC(=[OH+])c1ccc(N=Cc2ccccc2)cc1",
        "std_free_energy": 5.77631950378418,
        "relative_population": 0.3667043415490903
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      {
        "id": "-1_1",
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        "smiles": "O=C([O-])c1ccc(N=Cc2ccccc2)cc1",
        "std_free_energy": -10.82970905303955,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.4699998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.97,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.97000002861023,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]