[
  {
    "molid": "mol14950",
    "smiles": "C[C@@H]1C[C@H](OC(=O)c2ccccc2)CC(C)(C)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1C[C@H](OC(=O)c2ccccc2)CC(C)(C)N1",
        "std_free_energy": -2.6425187587738037,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H]1C[C@H](OC(=O)c2ccccc2)CC(C)(C)[NH2+]1",
        "std_free_energy": -8.478944778442383,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.97,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]