[
  {
    "molid": "mol32707",
    "smiles": "CCN(CC)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(CC)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]12C",
        "std_free_energy": -0.6939448118209839,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CC[NH+](CC)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]12C",
        "std_free_energy": -9.578680038452148,
        "relative_population": 0.9934414795680767
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.34,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]