[
  {
    "molid": "mol21858",
    "smiles": "Nc1ccc(Cc2nc3cc(Cl)ccc3[nH]2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(Cc2nc3cc(Cl)ccc3[nH]2)cc1",
        "std_free_energy": -6.168944358825684,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1ccc(Cc2nc3cc(Cl)ccc3[nH]2)cc1",
        "std_free_energy": -3.5361807346343994,
        "relative_population": 0.23366233832882558
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1ccc(Cc2[nH]c3ccc(Cl)cc3[nH+]2)cc1",
        "std_free_energy": -4.723926544189453,
        "relative_population": 0.7663376616711743
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.47,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      }
    ]
  }
]