[
  {
    "molid": "mol26729",
    "smiles": "CC(=O)ON(C(C)=O)c1ccc2c(n1)[nH]c1ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)ON(C(C)=O)c1ccc2c(n1)[nH]c1ccccc12",
        "std_free_energy": -6.722929000854492,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(=O)ON(C(C)=[OH+])c1ccc2c(n1)[nH]c1ccccc12",
        "std_free_energy": 5.003472805023193,
        "relative_population": 0.07688843641905946
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CC(=O)ON(C(C)=O)c1ccc2c([nH]c3ccccc32)[nH+]1",
        "std_free_energy": 2.5446319580078125,
        "relative_population": 0.898922065548398
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.04,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]