[
  {
    "molid": "mol32369",
    "smiles": "Nc1ccc(-c2ccc(N=Cc3ccc(O)cc3)cc2)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1ccc(-c2ccc([NH+]=Cc3ccc([O-])cc3)cc2)cc1",
        "std_free_energy": -2.623408794403076,
        "relative_population": 0.2180480391950533
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Nc1ccc(-c2ccc(N=Cc3ccc(O)cc3)cc2)cc1",
        "std_free_energy": -3.896573543548584,
        "relative_population": 0.7788980395207741
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1ccc(-c2ccc(N=Cc3ccc(O)cc3)cc2)cc1",
        "std_free_energy": -4.1383585929870605,
        "relative_population": 0.3503743739320173
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1ccc(-c2ccc([NH+]=Cc3ccc(O)cc3)cc2)cc1",
        "std_free_energy": -4.751560211181641,
        "relative_population": 0.6469078390373173
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ccc(-c2ccc(N=Cc3ccc([O-])cc3)cc2)cc1",
        "std_free_energy": 3.2017672061920166,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.8600001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.05000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]