[
  {
    "molid": "mol32373",
    "smiles": "COc1cc2c(cc1OC)C1Cc3ccc(OC)c(O)c3C(C2)N1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(O)c3[C@H](C2)N1C",
        "std_free_energy": -3.2303547859191895,
        "relative_population": 0.7194503288278999
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c([O-])c3[C@H](C2)[NH+]1C",
        "std_free_energy": -2.2886180877685547,
        "relative_population": 0.28054967117209995
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c([O-])c3[C@H](C2)N1C",
        "std_free_energy": 4.398534774780273,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.8500004,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]