[
  {
    "molid": "mol36575",
    "smiles": "COC(=O)/C1=C(\\C(=O)OC)N(C)CC(C)c2[nH]c(C(=O)C(F)(F)F)cc2C1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)/C1=C(\\C(=O)OC)N(C)C[C@H](C)c2[nH]c(C(=O)C(F)(F)F)cc2[C@@H]1C",
        "std_free_energy": -6.27292537689209,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)/C1=C(\\C(=O)OC)N(C)C[C@H](C)c2[n-]c(C(=O)C(F)(F)F)cc2[C@@H]1C",
        "std_free_energy": 4.995865821838379,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.94000005722046,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]