[
  {
    "molid": "mol12256",
    "smiles": "CC(O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O",
        "std_free_energy": -6.459595680236816,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H](O)CC[c-]1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O",
        "std_free_energy": 1.5403964519500732,
        "relative_population": 0.9980601694455163
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]