[
  {
    "molid": "mol1482",
    "smiles": "COc1ccc(OC)c(C[C@@H](N)CO)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(OC)c(C[C@@H](N)CO)c1",
        "std_free_energy": -3.1029539108276367,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1ccc(OC)c(C[C@@H]([NH3+])CO)c1",
        "std_free_energy": -8.780200004577637,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.18,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]