[
  {
    "molid": "mol8387",
    "smiles": "Cc1cccc2nc(N)c3cccc(C)c3c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc2nc(N)c3cccc(C)c3c12",
        "std_free_energy": -4.4661545753479,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc2[nH+]c(N)c3cccc(C)c3c12",
        "std_free_energy": -5.936725616455078,
        "relative_population": 0.6879622593202354
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cccc2nc([NH3+])c3cccc(C)c3c12",
        "std_free_energy": -5.146115779876709,
        "relative_population": 0.31203774067976464
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.91,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.90999984741211,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]