[
  {
    "molid": "mol2947",
    "smiles": "Fc1ccc2c(/C=C/c3cccnc3)c[nH]c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Fc1ccc2c(/C=C/c3cccnc3)c[nH]c2c1",
        "std_free_energy": -6.17379093170166,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Fc1ccc2c(/C=C/c3ccc[nH+]c3)c[nH]c2c1",
        "std_free_energy": -3.1743273735046387,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Novartis"
      }
    ]
  }
]