[
  {
    "molid": "mol395",
    "smiles": "Cc1ccc(C)c(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(C)c(N2CCN([C@H]3[C@@H]4C[C@H]5C[C@@H](C4)C[C@@H]3C5)CC2)c1",
        "std_free_energy": -3.697239875793457,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(C)c(N2CC[NH+]([C@H]3[C@@H]4C[C@H]5C[C@@H](C4)C[C@@H]3C5)CC2)c1",
        "std_free_energy": -8.567962646484375,
        "relative_population": 0.9941187251056618
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]