[
  {
    "molid": "mol13234",
    "smiles": "CN(C)C(=O)/C=C(\\O)c1ccncc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)C(=O)/C=C(\\O)c1ccncc1",
        "std_free_energy": -3.240927219390869,
        "relative_population": 0.621697928542688
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)C(=O)/C=C(\\[O-])c1cc[nH+]cc1",
        "std_free_energy": -2.7441658973693848,
        "relative_population": 0.37830207145731204
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)C(=O)/C=C(\\[O-])c1ccncc1",
        "std_free_energy": -1.9992070198059082,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.32,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]