[
  {
    "molid": "mol16574",
    "smiles": "C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1",
        "std_free_energy": -2.2816505432128906,
        "relative_population": 0.4526595570869905
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@H]1[C@H]2Cc3ccc([O-])cc3[C@]1(C)CC[NH+]2CC1CC1",
        "std_free_energy": -2.471581220626831,
        "relative_population": 0.5473404429130094
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H]1[C@H]2Cc3ccc([O-])cc3[C@]1(C)CCN2CC1CC1",
        "std_free_energy": 5.7582197189331055,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.38,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]