[
  {
    "molid": "mol25889",
    "smiles": "CCOC(C)(O)N1C=NCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCO[C@](C)(O)N1C=NCC1",
        "std_free_energy": -3.749833822250366,
        "relative_population": 0.3567860909496574
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCO[C@](C)([O-])N1C=[NH+]CC1",
        "std_free_energy": -4.339174747467041,
        "relative_population": 0.6432139090503425
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCO[C@](C)([O-])N1C=NCC1",
        "std_free_energy": 5.841551780700684,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.34,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]