[
  {
    "molid": "mol38011",
    "smiles": "c1ccc(N=C(c2ccccn2)c2ccccn2)cc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(N=C(c2ccccn2)c2cccc[nH+]2)cc1",
        "std_free_energy": -1.6065326929092407,
        "relative_population": 0.4427113471430801
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      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc([NH+]=C(c2ccccn2)c2ccccn2)cc1",
        "std_free_energy": -1.836698055267334,
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        "id": "2_1",
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        "smiles": "c1ccc(N=C(c2cccc[nH+]2)c2cccc[nH+]2)cc1",
        "std_free_energy": 9.727975845336914,
        "relative_population": 0.8012905035012181
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      {
        "id": "2_2",
        "charge": 2,
        "smiles": "c1ccc([NH+]=C(c2ccccn2)c2cccc[nH+]2)cc1",
        "std_free_energy": 11.122355461120605,
        "relative_population": 0.19870949649878203
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    ],
    "macro_pka_values": [
      {
        "pka_value": 3.40000009536743,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]