[
  {
    "molid": "mol17279",
    "smiles": "O=C1CC(=O)C(Cc2ccccc2)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CC(=O)[C@H](Cc2ccccc2)N1",
        "std_free_energy": -5.43397331237793,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1CC(=O)[C-](Cc2ccccc2)N1",
        "std_free_energy": -3.6623849868774414,
        "relative_population": 0.13310280831858728
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C1[CH-]C(=O)[C@H](Cc2ccccc2)N1",
        "std_free_energy": -5.535766124725342,
        "relative_population": 0.866535400006964
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.08,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]