[
  {
    "molid": "mol1122",
    "smiles": "COc1ccc(C[C@@H](C)N)cc1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(C[C@@H](C)N)cc1OC",
        "std_free_energy": -1.6412209272384644,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc(C[C@@H](C)[NH3+])cc1OC",
        "std_free_energy": -9.062919616699219,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]