[
  {
    "molid": "mol32657",
    "smiles": "CC(C)NC(c1ccccc1)C(O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)N[C@H](c1ccccc1)[C@H](O)c1ccccc1",
        "std_free_energy": 0.2559671401977539,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)N[C@H](c1ccccc1)[C@H]([O-])c1ccccc1",
        "std_free_energy": 12.513949394226074,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.79,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]