[
  {
    "molid": "mol14419",
    "smiles": "COC(=O)N1c2ccccc2[C@@]23CCN4CC=C[C@]5(CC[C@]12[C@](O)(C(=O)OC)C5O)[C@H]43",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)N1c2ccccc2[C@@]23CCN4CC=C[C@]5(CC[C@]12[C@](O)(C(=O)OC)[C@H]5O)[C@H]43",
        "std_free_energy": -6.02809476852417,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COC(=O)N1c2ccccc2[C@@]23CC[NH+]4CC=C[C@]5(CC[C@]12[C@](O)(C(=O)OC)[C@H]5O)[C@H]43",
        "std_free_energy": -4.491705894470215,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.63,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]