[
  {
    "molid": "mol35541",
    "smiles": "Nc1ccc2nc3ccc(Cl)cc3nc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc2nc3ccc(Cl)cc3nc2c1",
        "std_free_energy": -8.138044357299805,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ccc2[nH+]c3ccc(Cl)cc3nc2c1",
        "std_free_energy": -0.22034046053886414,
        "relative_population": 0.3087905253873846
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1ccc2nc3ccc(Cl)cc3[nH+]c2c1",
        "std_free_energy": -0.7281899452209473,
        "relative_population": 0.5131214800359618
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+]c1ccc2nc3ccc(Cl)cc3nc2c1",
        "std_free_energy": 0.3300448954105377,
        "relative_population": 0.1780879945766535
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.90000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]