[
  {
    "molid": "mol29389",
    "smiles": "NC(=O)NC(C(=O)O)(c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)NC(C(=O)O)(c1ccccc1)c1ccccc1",
        "std_free_energy": -2.8817808628082275,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NC(=[OH+])NC(C(=O)O)(c1ccccc1)c1ccccc1",
        "std_free_energy": 6.313360214233398,
        "relative_population": 0.9760542081891825
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.00999999046326,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.01,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]