[
  {
    "molid": "mol21548",
    "smiles": "Cc1ccc(C(=O)NC(=N)Nc2ccc(C(C)C)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(C(=O)NC(=N)Nc2ccc(C(C)C)cc2)cc1",
        "std_free_energy": -5.294325828552246,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(C(=O)NC(=[NH2+])Nc2ccc(C(C)C)cc2)cc1",
        "std_free_energy": -5.649857521057129,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.35,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]