[
  {
    "molid": "mol38159",
    "smiles": "CC1N=C(c2ccccc2Cl)c2cc(Cl)ccc2N(C)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1N=C(c2ccccc2Cl)c2cc(Cl)ccc2N(C)C1=O",
        "std_free_energy": -6.411992073059082,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H]1[NH+]=C(c2ccccc2Cl)c2cc(Cl)ccc2N(C)C1=O",
        "std_free_energy": 0.06939388811588287,
        "relative_population": 0.931309212302993
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@H]1N=C(c2ccccc2Cl)c2cc(Cl)ccc2N(C)C1=[OH+]",
        "std_free_energy": 2.676370143890381,
        "relative_population": 0.06869078769700707
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0699999332428,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]