[
  {
    "molid": "mol24959",
    "smiles": "CCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCOc1cc(C(=O)NCC[NH+](CC)CC)c2ccccc2n1",
        "std_free_energy": -9.072747230529785,
        "relative_population": 0.9615049794795495
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CCCOc1cc(C(=O)NCC[NH+](CC)CC)c2ccccc2[nH+]1",
        "std_free_energy": 1.1612993478775024,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.87,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]