[
  {
    "molid": "mol33978",
    "smiles": "COc1cc2c(c(OC)c1O)-c1ccc(O)c(=O)cc1[C@@H](NC(C)=O)CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2c(c(OC)c1O)-c1ccc(O)c(=O)cc1[C@@H](NC(C)=O)CC2",
        "std_free_energy": -5.109609603881836,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc2c(c(OC)c1[O-])-c1ccc(O)c(=O)cc1[C@@H](NC(C)=O)CC2",
        "std_free_energy": -1.4623104333877563,
        "relative_population": 0.24175945130170365
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "COc1cc2c(c(OC)c1O)-c1ccc([O-])c(=O)cc1[C@@H](NC(C)=O)CC2",
        "std_free_energy": -2.591099977493286,
        "relative_population": 0.7474988546539951
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.11999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]