[
  {
    "molid": "mol2892",
    "smiles": "Cc1[nH]c2ccccc2c1CCN1CCc2cc(CCC(=O)N=O)ccc2C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1[nH]c2ccccc2c1CCN1CCc2cc(CCC(=O)N=O)ccc2C1",
        "std_free_energy": -4.47849702835083,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH]c2ccccc2c1CC[NH+]1CCc2cc(CCC(=O)N=O)ccc2C1",
        "std_free_energy": -8.307188034057617,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.955,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Novartis"
      }
    ]
  }
]