[
  {
    "molid": "mol32485",
    "smiles": "COC(=O)C=C(O)c1ccncc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)C=C(O)c1ccncc1",
        "std_free_energy": -2.9919278621673584,
        "relative_population": 0.6548675707908482
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COC(=O)C=C([O-])c1cc[nH+]cc1",
        "std_free_energy": -2.3514230251312256,
        "relative_population": 0.3451324292091517
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)C=C([O-])c1ccncc1",
        "std_free_energy": -1.1271116733551025,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5100002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.51000022888184,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]