[
  {
    "molid": "mol32806",
    "smiles": "C=C1C2CC3C4N5CC6(C)CC(OC(C)=O)C(OC(C)=O)C47C6C5CC3(C1OC(C)=O)C7(O)C2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]47[C@@H]6[C@@H]5C[C@]3([C@H]1OC(C)=O)[C@@]7(O)C2",
        "std_free_energy": -3.6822509765625,
        "relative_population": 1.0
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "C=C1[C@H]2C[C@@H]3[C@H]4[NH+]5C[C@]6(C)C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]47[C@@H]6[C@@H]5C[C@]3([C@H]1OC(C)=O)[C@@]7(O)C2",
        "std_free_energy": -7.648367404937744,
        "relative_population": 0.9694783470906797
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3500004,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]