[
  {
    "molid": "mol14619",
    "smiles": "COc1ccc2c(c1O)-c1c3c(cc4c1C(C2)N(C)CC4)OCO3",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2c(c1[O-])-c1c3c(cc4c1[C@@H](C2)[NH+](C)CC4)OCO3",
        "std_free_energy": -2.281306505203247,
        "relative_population": 0.1555073772953034
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1ccc2c(c1O)-c1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3",
        "std_free_energy": -3.9733493328094482,
        "relative_population": 0.8444926227046965
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc2c(c1[O-])-c1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3",
        "std_free_energy": 4.472394943237305,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]