[
  {
    "molid": "mol2904",
    "smiles": "Cc1cc(N)nc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(N)nc2ccccc12",
        "std_free_energy": -4.775852680206299,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc([NH3+])nc2ccccc12",
        "std_free_energy": -4.191802024841309,
        "relative_population": 0.24653750904531616
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(N)[nH+]c2ccccc12",
        "std_free_energy": -5.308967113494873,
        "relative_population": 0.753462490954684
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Novartis"
      }
    ]
  }
]