[
  {
    "molid": "mol2744",
    "smiles": "Cc1cc(C)c(C2C(=O)CC(Cc3ccccn3)C2=O)c(C)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C)c([C@H]2C(=O)C[C@@H](Cc3ccccn3)C2=O)c(C)c1",
        "std_free_energy": -5.066915035247803,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(C)c([C@H]2C(=O)[CH-][C@@H](Cc3ccccn3)C2=O)c(C)c1",
        "std_free_energy": 1.6116950511932373,
        "relative_population": 0.08224173171665877
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1cc(C)c([C-]2C(=O)C[C@@H](Cc3ccccn3)C2=O)c(C)c1",
        "std_free_energy": -0.7848479747772217,
        "relative_population": 0.9034365532982261
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.78,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Caine"
      }
    ]
  }
]