[
  {
    "molid": "mol29536",
    "smiles": "CC(C)C1(C)NNC(=O)NC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)[C@]1(C)NNC(=O)NC1=O",
        "std_free_energy": -6.228474140167236,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)[C@]1(C)N[N-]C(=O)NC1=O",
        "std_free_energy": -2.389096975326538,
        "relative_population": 0.5526641408679455
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)[C@]1(C)NNC(=O)[N-]C1=O",
        "std_free_energy": -2.1776561737060547,
        "relative_population": 0.4473358591320544
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.45,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]