Retrieving Result Collections

In this example we will show how openff-qcsubmit can be used to retrieve the results of quantum chemical (QC) calculations from a QCFractal instance.

In particular, we will demonstrate how:

  • raw torsion drive, optimised geometry and hessian result records can be retrieved from the public QCArchive server and stored in a result collection

  • the retrieved result records can be filtered and curated using a set of built-in filters

  • the result collection can be saved and loaded from disk

For the sake of clarity all verbose warnings will be disabled in this tutorial:

[1]:
import warnings

warnings.filterwarnings('ignore')
import logging
logging.getLogger("openff.toolkit").setLevel(logging.ERROR)

Retrieving result collections

The OpenFF QCSubmit package provides a suite of utilities for retrieving and curating collections of QC results directly from a running QCFractal server, or an already computed QCPortal dataset. This functionality is provided through three main classes:

  • BasicResultCollection - stores references to simple QCPortal result record that may contain energies, gradients, or hessians computed for a molecule in a single conformation.

  • OptimizationResultCollection - stores references to full optimization result records (i.e. OptimizationRecord objects) as well as the final minimised conformer produced by the optimization.

  • TorsionDriveResultCollection - stores references to full torsion drive result records (i.e. TorsionDriveRecord objects) as well as the minimum energy conformer associated with each torsion angle that was scanned.

Each of these collections can be generated directly from a running QCFractal server using the from_server class method.

We begin by creating a QCPortal FractalClient instance that will allow us to communicate with the running server:

[2]:
from qcportal import FractalClient

qc_client = FractalClient()

where here we are connecting directly to the main QCArchive server. You are free to connect to whichever server you have access to however (including one’s running locally) by providing the servers address.

We can then use this to generate our result collections:

[3]:
from openff.qcsubmit.results import (
    BasicResultCollection,
    OptimizationResultCollection,
    TorsionDriveResultCollection,
)

# Pull down the energy result records from the 'OpenFF BCC Refit Study COH v1.0' dataset.
energy_result_collection = BasicResultCollection.from_server(
    client=qc_client,
    datasets="OpenFF BCC Refit Study COH v1.0",
    spec_name="resp-2-vacuum"
)
print(energy_result_collection)

# Pull down the optimization records from both the 'OpenFF Gen 2 Opt Set 3 Pfizer Discrepancy' and
# 'OpenFF Gen 2 Opt Set 4 eMolecules Discrepancy' datasets.
optimization_result_collection = OptimizationResultCollection.from_server(
    client=qc_client,
    datasets=[
        "OpenFF Gen 2 Opt Set 3 Pfizer Discrepancy",
        "OpenFF Gen 2 Opt Set 4 eMolecules Discrepancy",
    ],
    spec_name="default",
)
print(optimization_result_collection)

# Pull down the torsion drive records from the 'OpenFF Rowley Biaryl v1.0' dataset.
torsion_drive_result_collection = TorsionDriveResultCollection.from_server(
    client=qc_client,
    datasets="OpenFF Rowley Biaryl v1.0",
    spec_name="default",
)
print(torsion_drive_result_collection)
entries={'https://api.qcarchive.molssi.org:443/': [BasicResult(type='basic', record_id='32651903', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652118', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651833', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652048', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651858', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652073', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651766', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651981', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651736', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651951', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651834', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652049', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651860', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652075', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651743', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651958', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651767', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651982', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651889', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652104', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651696', cmiles='[H:6][C:1]([H:7])([C:2]([H:8])([H:9])[O:4][H:12])[C:3]([H:10])([H:11])[O:5][H:13]', inchi_key='YPFDHNVEDLHUCE-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651911', cmiles='[H:6][C:1]([H:7])([C:2]([H:8])([H:9])[O:4][H:12])[C:3]([H:10])([H:11])[O:5][H:13]', inchi_key='YPFDHNVEDLHUCE-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651748', cmiles='[H:6][C:1]([H:7])([C:2]([H:8])([H:9])[O:4][H:12])[C:3]([H:10])([H:11])[O:5][H:13]', inchi_key='YPFDHNVEDLHUCE-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651963', cmiles='[H:6][C:1]([H:7])([C:2]([H:8])([H:9])[O:4][H:12])[C:3]([H:10])([H:11])[O:5][H:13]', inchi_key='YPFDHNVEDLHUCE-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651838', cmiles='[H:6][C:1]([H:7])([C:2]([H:8])([H:9])[O:4][H:12])[C:3]([H:10])([H:11])[O:5][H:13]', inchi_key='YPFDHNVEDLHUCE-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652053', cmiles='[H:6][C:1]([H:7])([C:2]([H:8])([H:9])[O:4][H:12])[C:3]([H:10])([H:11])[O:5][H:13]', inchi_key='YPFDHNVEDLHUCE-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651816', cmiles='[H:6][C:1]([H:7])([C:2]([H:8])([H:9])[O:4][H:12])[C:3]([H:10])([H:11])[O:5][H:13]', inchi_key='YPFDHNVEDLHUCE-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652031', cmiles='[H:6][C:1]([H:7])([C:2]([H:8])([H:9])[O:4][H:12])[C:3]([H:10])([H:11])[O:5][H:13]', inchi_key='YPFDHNVEDLHUCE-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651867', cmiles='[H:5][C:1]([H:6])([C:2]([H:7])([H:8])[O:4][H:10])[O:3][H:9]', inchi_key='LYCAIKOWRPUZTN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652082', cmiles='[H:5][C:1]([H:6])([C:2]([H:7])([H:8])[O:4][H:10])[O:3][H:9]', inchi_key='LYCAIKOWRPUZTN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651871', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652086', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651843', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652058', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651820', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652035', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651798', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652013', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651711', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651926', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651771', cmiles='[H:5]/[C:1](=[C:2](/[H:6])\\[C:4]([H:10])([H:11])[H:12])/[C:3]([H:7])([H:8])[H:9]', inchi_key='IAQRGUVFOMOMEM-ONEGZZNKSA-N'), BasicResult(type='basic', record_id='32651986', cmiles='[H:5]/[C:1](=[C:2](/[H:6])\\[C:4]([H:10])([H:11])[H:12])/[C:3]([H:7])([H:8])[H:9]', inchi_key='IAQRGUVFOMOMEM-ONEGZZNKSA-N'), BasicResult(type='basic', record_id='32651900', cmiles='[H:7][C:2]1([C:1](=[O:6])[C:3]([C:5]([C:4]1([H:11])[H:12])([H:13])[H:14])([H:9])[H:10])[H:8]', inchi_key='BGTOWKSIORTVQH-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652115', cmiles='[H:7][C:2]1([C:1](=[O:6])[C:3]([C:5]([C:4]1([H:11])[H:12])([H:13])[H:14])([H:9])[H:10])[H:8]', inchi_key='BGTOWKSIORTVQH-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651735', cmiles='[H:8][C:2]1([C:1](=[O:7])[C:3]([C:5]([C:6]([C:4]1([H:12])[H:13])([H:16])[H:17])([H:14])[H:15])([H:10])[H:11])[H:9]', inchi_key='JHIVVAPYMSGYDF-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651950', cmiles='[H:8][C:2]1([C:1](=[O:7])[C:3]([C:5]([C:6]([C:4]1([H:12])[H:13])([H:16])[H:17])([H:14])[H:15])([H:10])[H:11])[H:9]', inchi_key='JHIVVAPYMSGYDF-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651869', cmiles='[H:9][C:2]1([C:1](=[O:8])[C:3]([C:5]([C:7]([C:6]([C:4]1([H:13])[H:14])([H:17])[H:18])([H:19])[H:20])([H:15])[H:16])([H:11])[H:12])[H:10]', inchi_key='CGZZMOTZOONQIA-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652084', cmiles='[H:9][C:2]1([C:1](=[O:8])[C:3]([C:5]([C:7]([C:6]([C:4]1([H:13])[H:14])([H:17])[H:18])([H:19])[H:20])([H:15])[H:16])([H:11])[H:12])[H:10]', inchi_key='CGZZMOTZOONQIA-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651764', cmiles='[H:6][C:1]1([C:2]([C:4]([C:5]([C:3]1([H:10])[H:11])([H:14])[H:15])([H:12])[H:13])([H:8])[H:9])[H:7]', inchi_key='RGSFGYAAUTVSQA-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651979', cmiles='[H:6][C:1]1([C:2]([C:4]([C:5]([C:3]1([H:10])[H:11])([H:14])[H:15])([H:12])[H:13])([H:8])[H:9])[H:7]', inchi_key='RGSFGYAAUTVSQA-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651734', cmiles='[H:7][C:1]1([C:2]([C:4]([C:6]([C:5]([C:3]1([H:11])[H:12])([H:15])[H:16])([H:17])[H:18])([H:13])[H:14])([H:9])[H:10])[H:8]', inchi_key='XDTMQSROBMDMFD-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651949', cmiles='[H:7][C:1]1([C:2]([C:4]([C:6]([C:5]([C:3]1([H:11])[H:12])([H:15])[H:16])([H:17])[H:18])([H:13])[H:14])([H:9])[H:10])[H:8]', inchi_key='XDTMQSROBMDMFD-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651694', cmiles='[H:6][C:1]1([C:2]([C:4]([O:5][C:3]1([H:10])[H:11])([H:12])[H:13])([H:8])[H:9])[H:7]', inchi_key='WYURNTSHIVDZCO-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651909', cmiles='[H:6][C:1]1([C:2]([C:4]([O:5][C:3]1([H:10])[H:11])([H:12])[H:13])([H:8])[H:9])[H:7]', inchi_key='WYURNTSHIVDZCO-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651741', cmiles='[H:7][C:1]1([C:2]([C:4]([O:6][C:5]([C:3]1([H:11])[H:12])([H:15])[H:16])([H:13])[H:14])([H:9])[H:10])[H:8]', inchi_key='DHXVGJBLRPWPCS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651956', cmiles='[H:7][C:1]1([C:2]([C:4]([O:6][C:5]([C:3]1([H:11])[H:12])([H:15])[H:16])([H:13])[H:14])([H:9])[H:10])[H:8]', inchi_key='DHXVGJBLRPWPCS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651861', cmiles='[H:7][C:1]1([C:2]([O:6][C:4]([C:3]([O:5]1)([H:11])[H:12])([H:13])[H:14])([H:9])[H:10])[H:8]', inchi_key='RYHBNJHYFVUHQT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652076', cmiles='[H:7][C:1]1([C:2]([O:6][C:4]([C:3]([O:5]1)([H:11])[H:12])([H:13])[H:14])([H:9])[H:10])[H:8]', inchi_key='RYHBNJHYFVUHQT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651790', cmiles='[H:7][C:3]([H:8])([H:9])[C:1](=[O:5])[C:2](=[O:6])[C:4]([H:10])([H:11])[H:12]', inchi_key='QSJXEFYPDANLFS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652005', cmiles='[H:7][C:3]([H:8])([H:9])[C:1](=[O:5])[C:2](=[O:6])[C:4]([H:10])([H:11])[H:12]', inchi_key='QSJXEFYPDANLFS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651854', cmiles='[H:5][C:2]([H:6])([H:7])[C:1](=[O:4])[C:3]([H:8])([H:9])[H:10]', inchi_key='CSCPPACGZOOCGX-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652069', cmiles='[H:5][C:2]([H:6])([H:7])[C:1](=[O:4])[C:3]([H:8])([H:9])[H:10]', inchi_key='CSCPPACGZOOCGX-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651826', cmiles='[H:6][C:2]([H:7])([H:8])[C:1](=[O:4])[O:5][C:3]([H:9])([H:10])[H:11]', inchi_key='KXKVLQRXCPHEJC-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652041', cmiles='[H:6][C:2]([H:7])([H:8])[C:1](=[O:4])[O:5][C:3]([H:9])([H:10])[H:11]', inchi_key='KXKVLQRXCPHEJC-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651791', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[H:15])[O:10][C:7](=[O:9])[C:8]([H:16])([H:17])[H:18])[H:14])[H:12]', inchi_key='IPBVNPXQWQGGJP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652006', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[H:15])[O:10][C:7](=[O:9])[C:8]([H:16])([H:17])[H:18])[H:14])[H:12]', inchi_key='IPBVNPXQWQGGJP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651733', cmiles='[H:10][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:12])[H:14])[C:7](=[O:9])[C:8]([H:15])([H:16])[H:17])[H:13])[H:11]', inchi_key='KWOLFJPFCHCOCG-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651948', cmiles='[H:10][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:12])[H:14])[C:7](=[O:9])[C:8]([H:15])([H:16])[H:17])[H:13])[H:11]', inchi_key='KWOLFJPFCHCOCG-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651818', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[C:7](=[O:9])[C:8]([H:15])([H:16])[H:17])[O:10][H:18])[H:14])[H:12]', inchi_key='JECYUBVRTQDVAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652033', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[C:7](=[O:9])[C:8]([H:15])([H:16])[H:17])[O:10][H:18])[H:14])[H:12]', inchi_key='JECYUBVRTQDVAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651692', cmiles='[H:6][C:1]([H:7])([H:8])[C:4]([C:2]([H:9])([H:10])[H:11])([C:3]([H:12])([H:13])[H:14])[O:5][H:15]', inchi_key='DKGAVHZHDRPRBM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651907', cmiles='[H:6][C:1]([H:7])([H:8])[C:4]([C:2]([H:9])([H:10])[H:11])([C:3]([H:12])([H:13])[H:14])[O:5][H:15]', inchi_key='DKGAVHZHDRPRBM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651840', cmiles='[H:7][C:1]([H:8])([H:9])[C:5]([C:2]([H:10])([H:11])[H:12])([C:3]([H:13])([H:14])[H:15])[O:6][C:4]([H:16])([H:17])[H:18]', inchi_key='BZLVMXJERCGZMT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652055', cmiles='[H:7][C:1]([H:8])([H:9])[C:5]([C:2]([H:10])([H:11])[H:12])([C:3]([H:13])([H:14])[H:15])[O:6][C:4]([H:16])([H:17])[H:18]', inchi_key='BZLVMXJERCGZMT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651704', cmiles='[H:11][C:3]([H:12])([H:13])[C:7]([H:23])([C:1](=[O:9])[C:2](=[O:10])[C:8]([H:24])([C:5]([H:17])([H:18])[H:19])[C:6]([H:20])([H:21])[H:22])[C:4]([H:14])([H:15])[H:16]', inchi_key='BANWXFSXYBCSAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651919', cmiles='[H:11][C:3]([H:12])([H:13])[C:7]([H:23])([C:1](=[O:9])[C:2](=[O:10])[C:8]([H:24])([C:5]([H:17])([H:18])[H:19])[C:6]([H:20])([H:21])[H:22])[C:4]([H:14])([H:15])[H:16]', inchi_key='BANWXFSXYBCSAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651848', cmiles='[H:11][C:3]([H:12])([H:13])[C:7]([H:23])([C:1](=[O:9])[C:2](=[O:10])[C:8]([H:24])([C:5]([H:17])([H:18])[H:19])[C:6]([H:20])([H:21])[H:22])[C:4]([H:14])([H:15])[H:16]', inchi_key='BANWXFSXYBCSAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652063', cmiles='[H:11][C:3]([H:12])([H:13])[C:7]([H:23])([C:1](=[O:9])[C:2](=[O:10])[C:8]([H:24])([C:5]([H:17])([H:18])[H:19])[C:6]([H:20])([H:21])[H:22])[C:4]([H:14])([H:15])[H:16]', inchi_key='BANWXFSXYBCSAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651755', cmiles='[H:11][C:3]([H:12])([H:13])[C:7]([H:23])([C:1](=[O:9])[C:2](=[O:10])[C:8]([H:24])([C:5]([H:17])([H:18])[H:19])[C:6]([H:20])([H:21])[H:22])[C:4]([H:14])([H:15])[H:16]', inchi_key='BANWXFSXYBCSAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651720', cmiles='[H:11][C:3]([H:12])([H:13])[C:7]([H:23])([C:1](=[O:9])[C:2](=[O:10])[C:8]([H:24])([C:5]([H:17])([H:18])[H:19])[C:6]([H:20])([H:21])[H:22])[C:4]([H:14])([H:15])[H:16]', inchi_key='BANWXFSXYBCSAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651935', cmiles='[H:11][C:3]([H:12])([H:13])[C:7]([H:23])([C:1](=[O:9])[C:2](=[O:10])[C:8]([H:24])([C:5]([H:17])([H:18])[H:19])[C:6]([H:20])([H:21])[H:22])[C:4]([H:14])([H:15])[H:16]', inchi_key='BANWXFSXYBCSAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651715', cmiles='[H:11][C:3]([H:12])([H:13])[C:7]([H:23])([C:1](=[O:9])[C:2](=[O:10])[C:8]([H:24])([C:5]([H:17])([H:18])[H:19])[C:6]([H:20])([H:21])[H:22])[C:4]([H:14])([H:15])[H:16]', inchi_key='BANWXFSXYBCSAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651930', cmiles='[H:11][C:3]([H:12])([H:13])[C:7]([H:23])([C:1](=[O:9])[C:2](=[O:10])[C:8]([H:24])([C:5]([H:17])([H:18])[H:19])[C:6]([H:20])([H:21])[H:22])[C:4]([H:14])([H:15])[H:16]', inchi_key='BANWXFSXYBCSAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651882', cmiles='[H:9][C:3]([H:10])([H:11])[C:1](=[O:7])[C:2](=[O:8])[C:6]([H:18])([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17]', inchi_key='JENYBWHRLYZSSZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652097', cmiles='[H:9][C:3]([H:10])([H:11])[C:1](=[O:7])[C:2](=[O:8])[C:6]([H:18])([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17]', inchi_key='JENYBWHRLYZSSZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651763', cmiles='[H:9][C:3]([H:10])([H:11])[C:1](=[O:7])[C:2](=[O:8])[C:6]([H:18])([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17]', inchi_key='JENYBWHRLYZSSZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651978', cmiles='[H:9][C:3]([H:10])([H:11])[C:1](=[O:7])[C:2](=[O:8])[C:6]([H:18])([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17]', inchi_key='JENYBWHRLYZSSZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651765', cmiles='[H:9][C:3]([H:10])([H:11])[C:1](=[O:7])[C:2](=[O:8])[C:6]([H:18])([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17]', inchi_key='JENYBWHRLYZSSZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651980', cmiles='[H:9][C:3]([H:10])([H:11])[C:1](=[O:7])[C:2](=[O:8])[C:6]([H:18])([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17]', inchi_key='JENYBWHRLYZSSZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651778', cmiles='[H:7][C:2]([H:8])([H:9])[C:1](=[O:6])[C:5]([H:16])([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[H:15]', inchi_key='SYBYTAAJFKOIEJ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651993', cmiles='[H:7][C:2]([H:8])([H:9])[C:1](=[O:6])[C:5]([H:16])([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[H:15]', inchi_key='SYBYTAAJFKOIEJ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651887', cmiles='[H:8][C:2]([H:9])([H:10])[C:1](=[O:7])[C:5]([H:17])([H:18])[C:6]([H:19])([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[H:16]', inchi_key='NTIZESTWPVYFNL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652102', cmiles='[H:8][C:2]([H:9])([H:10])[C:1](=[O:7])[C:5]([H:17])([H:18])[C:6]([H:19])([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[H:16]', inchi_key='NTIZESTWPVYFNL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651758', cmiles='[H:9][C:1]([H:10])([H:11])[C:7]([H:26])([C:2]([H:12])([H:13])[H:14])[C:6]([H:24])([H:25])[C:8]([C:3]([H:15])([H:16])[H:17])([C:4]([H:18])([H:19])[H:20])[C:5]([H:21])([H:22])[H:23]', inchi_key='NHTMVDHEPJAVLT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651973', cmiles='[H:9][C:1]([H:10])([H:11])[C:7]([H:26])([C:2]([H:12])([H:13])[H:14])[C:6]([H:24])([H:25])[C:8]([C:3]([H:15])([H:16])[H:17])([C:4]([H:18])([H:19])[H:20])[C:5]([H:21])([H:22])[H:23]', inchi_key='NHTMVDHEPJAVLT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651827', cmiles='[H:6][C:1]([H:7])([H:8])[C:4]([H:14])([C:2]([H:9])([H:10])[H:11])[C:3]([H:12])([H:13])[O:5][H:15]', inchi_key='ZXEKIIBDNHEJCQ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652042', cmiles='[H:6][C:1]([H:7])([H:8])[C:4]([H:14])([C:2]([H:9])([H:10])[H:11])[C:3]([H:12])([H:13])[O:5][H:15]', inchi_key='ZXEKIIBDNHEJCQ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651757', cmiles='[H:5][C:1]([H:6])([H:7])[C:3]([H:11])([C:2]([H:8])([H:9])[H:10])[O:4][H:12]', inchi_key='KFZMGEQAYNKOFK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651972', cmiles='[H:5][C:1]([H:6])([H:7])[C:3]([H:11])([C:2]([H:8])([H:9])[H:10])[O:4][H:12]', inchi_key='KFZMGEQAYNKOFK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651811', cmiles='[H:8][C:1]([H:9])([H:10])[C:5]([H:20])([C:2]([H:11])([H:12])[H:13])[O:7][C:6]([H:21])([C:3]([H:14])([H:15])[H:16])[C:4]([H:17])([H:18])[H:19]', inchi_key='ZAFNJMIOTHYJRJ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652026', cmiles='[H:8][C:1]([H:9])([H:10])[C:5]([H:20])([C:2]([H:11])([H:12])[H:13])[O:7][C:6]([H:21])([C:3]([H:14])([H:15])[H:16])[C:4]([H:17])([H:18])[H:19]', inchi_key='ZAFNJMIOTHYJRJ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651890', cmiles='[H:8]/[C:1](=[C:2](\\[H:9])/[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[O:7][H:19])/[C:4]([H:13])([H:14])[C:3]([H:10])([H:11])[H:12]', inchi_key='UFLHIIWVXFIJGU-ARJAWSKDSA-N'), BasicResult(type='basic', record_id='32652105', cmiles='[H:8]/[C:1](=[C:2](\\[H:9])/[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[O:7][H:19])/[C:4]([H:13])([H:14])[C:3]([H:10])([H:11])[H:12]', inchi_key='UFLHIIWVXFIJGU-ARJAWSKDSA-N'), BasicResult(type='basic', record_id='32651872', cmiles='[H:8]/[C:1](=[C:2](\\[H:9])/[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[O:7][H:19])/[C:4]([H:13])([H:14])[C:3]([H:10])([H:11])[H:12]', inchi_key='UFLHIIWVXFIJGU-ARJAWSKDSA-N'), BasicResult(type='basic', record_id='32652087', cmiles='[H:8]/[C:1](=[C:2](\\[H:9])/[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[O:7][H:19])/[C:4]([H:13])([H:14])[C:3]([H:10])([H:11])[H:12]', inchi_key='UFLHIIWVXFIJGU-ARJAWSKDSA-N'), BasicResult(type='basic', record_id='32651865', cmiles='[H:8]/[C:1](=[C:2](\\[H:9])/[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[O:7][H:19])/[C:4]([H:13])([H:14])[C:3]([H:10])([H:11])[H:12]', inchi_key='UFLHIIWVXFIJGU-ARJAWSKDSA-N'), BasicResult(type='basic', record_id='32652080', cmiles='[H:8]/[C:1](=[C:2](\\[H:9])/[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[O:7][H:19])/[C:4]([H:13])([H:14])[C:3]([H:10])([H:11])[H:12]', inchi_key='UFLHIIWVXFIJGU-ARJAWSKDSA-N'), BasicResult(type='basic', record_id='32651789', cmiles='[H:8]/[C:1](=[C:2](\\[H:9])/[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[O:7][H:19])/[C:4]([H:13])([H:14])[C:3]([H:10])([H:11])[H:12]', inchi_key='UFLHIIWVXFIJGU-ARJAWSKDSA-N'), BasicResult(type='basic', record_id='32652004', cmiles='[H:8]/[C:1](=[C:2](\\[H:9])/[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[O:7][H:19])/[C:4]([H:13])([H:14])[C:3]([H:10])([H:11])[H:12]', inchi_key='UFLHIIWVXFIJGU-ARJAWSKDSA-N'), BasicResult(type='basic', record_id='32651776', cmiles='[H:8]/[C:1](=[C:2](\\[H:9])/[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[O:7][H:19])/[C:4]([H:13])([H:14])[C:3]([H:10])([H:11])[H:12]', inchi_key='UFLHIIWVXFIJGU-ARJAWSKDSA-N'), BasicResult(type='basic', record_id='32651991', cmiles='[H:8]/[C:1](=[C:2](\\[H:9])/[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[O:7][H:19])/[C:4]([H:13])([H:14])[C:3]([H:10])([H:11])[H:12]', inchi_key='UFLHIIWVXFIJGU-ARJAWSKDSA-N'), BasicResult(type='basic', record_id='32651873', cmiles='[H:11][C:1]1=[C:2]([C:6]([C:7]([C@@:8]([C:5]1([H:14])[H:15])([H:20])[C:4](=[C:3]([H:12])[H:13])[C:10]([H:24])([H:25])[H:26])([H:18])[H:19])([H:16])[H:17])[C:9]([H:21])([H:22])[H:23]', inchi_key='XMGQYMWWDOXHJM-JTQLQIEISA-N'), BasicResult(type='basic', record_id='32652088', cmiles='[H:11][C:1]1=[C:2]([C:6]([C:7]([C@@:8]([C:5]1([H:14])[H:15])([H:20])[C:4](=[C:3]([H:12])[H:13])[C:10]([H:24])([H:25])[H:26])([H:18])[H:19])([H:16])[H:17])[C:9]([H:21])([H:22])[H:23]', inchi_key='XMGQYMWWDOXHJM-JTQLQIEISA-N'), BasicResult(type='basic', record_id='32651866', cmiles='[H:8][C:1]1([C:2]([C:4]([C:6]([C:5]([C:3]1([H:12])[H:13])([H:16])[H:17])([H:18])[C:7]([H:19])([H:20])[H:21])([H:14])[H:15])([H:10])[H:11])[H:9]', inchi_key='UAEPNZWRGJTJPN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652081', cmiles='[H:8][C:1]1([C:2]([C:4]([C:6]([C:5]([C:3]1([H:12])[H:13])([H:16])[H:17])([H:18])[C:7]([H:19])([H:20])[H:21])([H:14])[H:15])([H:10])[H:11])[H:9]', inchi_key='UAEPNZWRGJTJPN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651773', cmiles='[H:6][C:1](=[C:2]([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[H:15])[C:3]([H:7])([H:8])[H:9]', inchi_key='BKOOMYPCSUNDGP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651988', cmiles='[H:6][C:1](=[C:2]([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[H:15])[C:3]([H:7])([H:8])[H:9]', inchi_key='BKOOMYPCSUNDGP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651862', cmiles='[H:10][C:3]([H:11])([H:12])[C:6]([H:19])([H:20])[C:1](=[O:8])[C:2](=[O:9])[C:7]([H:21])([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[H:18]', inchi_key='VYDFLMCRLHTTEX-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652077', cmiles='[H:10][C:3]([H:11])([H:12])[C:6]([H:19])([H:20])[C:1](=[O:8])[C:2](=[O:9])[C:7]([H:21])([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[H:18]', inchi_key='VYDFLMCRLHTTEX-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651857', cmiles='[H:10][C:3]([H:11])([H:12])[C:6]([H:19])([H:20])[C:1](=[O:8])[C:2](=[O:9])[C:7]([H:21])([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[H:18]', inchi_key='VYDFLMCRLHTTEX-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652072', cmiles='[H:10][C:3]([H:11])([H:12])[C:6]([H:19])([H:20])[C:1](=[O:8])[C:2](=[O:9])[C:7]([H:21])([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[H:18]', inchi_key='VYDFLMCRLHTTEX-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651893', cmiles='[H:10][C:3]([H:11])([H:12])[C:6]([H:19])([H:20])[C:1](=[O:8])[C:2](=[O:9])[C:7]([H:21])([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[H:18]', inchi_key='VYDFLMCRLHTTEX-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652108', cmiles='[H:10][C:3]([H:11])([H:12])[C:6]([H:19])([H:20])[C:1](=[O:8])[C:2](=[O:9])[C:7]([H:21])([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[H:18]', inchi_key='VYDFLMCRLHTTEX-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651784', cmiles='[H:10][C:3]([H:11])([H:12])[C:6]([H:19])([H:20])[C:1](=[O:8])[C:2](=[O:9])[C:7]([H:21])([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[H:18]', inchi_key='VYDFLMCRLHTTEX-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651999', cmiles='[H:10][C:3]([H:11])([H:12])[C:6]([H:19])([H:20])[C:1](=[O:8])[C:2](=[O:9])[C:7]([H:21])([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[H:18]', inchi_key='VYDFLMCRLHTTEX-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651700', cmiles='[H:10][C:3]([H:11])([H:12])[C:6]([H:19])([H:20])[C:1](=[O:8])[C:2](=[O:9])[C:7]([H:21])([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[H:18]', inchi_key='VYDFLMCRLHTTEX-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651915', cmiles='[H:10][C:3]([H:11])([H:12])[C:6]([H:19])([H:20])[C:1](=[O:8])[C:2](=[O:9])[C:7]([H:21])([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[H:18]', inchi_key='VYDFLMCRLHTTEX-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651901', cmiles='[H:8][C:3]([H:9])([H:10])[C:1](=[O:6])[C:2](=[O:7])[C:5]([H:14])([H:15])[C:4]([H:11])([H:12])[H:13]', inchi_key='TZMFJUDUGYTVRY-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652116', cmiles='[H:8][C:3]([H:9])([H:10])[C:1](=[O:6])[C:2](=[O:7])[C:5]([H:14])([H:15])[C:4]([H:11])([H:12])[H:13]', inchi_key='TZMFJUDUGYTVRY-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651904', cmiles='[H:8][C:3]([H:9])([H:10])[C:1](=[O:6])[C:2](=[O:7])[C:5]([H:14])([H:15])[C:4]([H:11])([H:12])[H:13]', inchi_key='TZMFJUDUGYTVRY-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652119', cmiles='[H:8][C:3]([H:9])([H:10])[C:1](=[O:6])[C:2](=[O:7])[C:5]([H:14])([H:15])[C:4]([H:11])([H:12])[H:13]', inchi_key='TZMFJUDUGYTVRY-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651894', cmiles='[H:8][C:3]([H:9])([H:10])[C:1](=[O:6])[C:2](=[O:7])[C:5]([H:14])([H:15])[C:4]([H:11])([H:12])[H:13]', inchi_key='TZMFJUDUGYTVRY-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652109', cmiles='[H:8][C:3]([H:9])([H:10])[C:1](=[O:6])[C:2](=[O:7])[C:5]([H:14])([H:15])[C:4]([H:11])([H:12])[H:13]', inchi_key='TZMFJUDUGYTVRY-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651777', cmiles='[H:6][C:2]([H:7])([H:8])[C:1](=[O:5])[C:4]([H:12])([H:13])[C:3]([H:9])([H:10])[H:11]', inchi_key='ZWEHNKRNPOVVGH-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651992', cmiles='[H:6][C:2]([H:7])([H:8])[C:1](=[O:5])[C:4]([H:12])([H:13])[C:3]([H:9])([H:10])[H:11]', inchi_key='ZWEHNKRNPOVVGH-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651806', cmiles='[H:7][C:2]([H:8])([H:9])[C:4]([H:13])([H:14])[C:1](=[O:6])[C:5]([H:15])([H:16])[C:3]([H:10])([H:11])[H:12]', inchi_key='FDPIMTJIUBPUKL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652021', cmiles='[H:7][C:2]([H:8])([H:9])[C:4]([H:13])([H:14])[C:1](=[O:6])[C:5]([H:15])([H:16])[C:3]([H:10])([H:11])[H:12]', inchi_key='FDPIMTJIUBPUKL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651885', cmiles='[H:7][C:2]([H:8])([H:9])[C:4]([H:13])([H:14])[C:1](=[O:5])[O:6][C:3]([H:10])([H:11])[H:12]', inchi_key='RJUFJBKOKNCXHH-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652100', cmiles='[H:7][C:2]([H:8])([H:9])[C:4]([H:13])([H:14])[C:1](=[O:5])[O:6][C:3]([H:10])([H:11])[H:12]', inchi_key='RJUFJBKOKNCXHH-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651768', cmiles='[H:8][C:2]([H:9])([H:10])[C:4]([H:14])([H:15])[C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:3]([H:11])([H:12])[H:13]', inchi_key='FKRCODPIKNYEAC-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651983', cmiles='[H:8][C:2]([H:9])([H:10])[C:4]([H:14])([H:15])[C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:3]([H:11])([H:12])[H:13]', inchi_key='FKRCODPIKNYEAC-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651832', cmiles='[H:8][C:2]([H:9])([H:10])[C:4]([H:14])([H:15])[C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:3]([H:11])([H:12])[H:13]', inchi_key='FKRCODPIKNYEAC-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652047', cmiles='[H:8][C:2]([H:9])([H:10])[C:4]([H:14])([H:15])[C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:3]([H:11])([H:12])[H:13]', inchi_key='FKRCODPIKNYEAC-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651805', cmiles='[H:8][C:2]([H:9])([H:10])[C:4]([H:14])([H:15])[C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:3]([H:11])([H:12])[H:13]', inchi_key='FKRCODPIKNYEAC-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652020', cmiles='[H:8][C:2]([H:9])([H:10])[C:4]([H:14])([H:15])[C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:3]([H:11])([H:12])[H:13]', inchi_key='FKRCODPIKNYEAC-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651878', cmiles='[H:8][C:2]([H:9])([H:10])[C:4]([H:14])([H:15])[C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:3]([H:11])([H:12])[H:13]', inchi_key='FKRCODPIKNYEAC-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652093', cmiles='[H:8][C:2]([H:9])([H:10])[C:4]([H:14])([H:15])[C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:3]([H:11])([H:12])[H:13]', inchi_key='FKRCODPIKNYEAC-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651727', cmiles='[H:8][C:2]([H:9])([H:10])[C:4]([H:14])([H:15])[C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:3]([H:11])([H:12])[H:13]', inchi_key='FKRCODPIKNYEAC-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651942', cmiles='[H:8][C:2]([H:9])([H:10])[C:4]([H:14])([H:15])[C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:3]([H:11])([H:12])[H:13]', inchi_key='FKRCODPIKNYEAC-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651785', cmiles='[H:7][C:1]([H:8])([H:9])[C:4]([H:16])([H:17])[C:5]([C:2]([H:10])([H:11])[H:12])([C:3]([H:13])([H:14])[H:15])[O:6][H:18]', inchi_key='MSXVEPNJUHWQHW-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652000', cmiles='[H:7][C:1]([H:8])([H:9])[C:4]([H:16])([H:17])[C:5]([C:2]([H:10])([H:11])[H:12])([C:3]([H:13])([H:14])[H:15])[O:6][H:18]', inchi_key='MSXVEPNJUHWQHW-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651782', cmiles='[H:9][C:1]([H:10])([H:11])[C:5]([H:21])([H:22])[C:7]([C:3]([H:15])([H:16])[H:17])([C:4]([H:18])([H:19])[H:20])[O:8][C:6]([H:23])([H:24])[C:2]([H:12])([H:13])[H:14]', inchi_key='KFRVYYGHSPLXSZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651997', cmiles='[H:9][C:1]([H:10])([H:11])[C:5]([H:21])([H:22])[C:7]([C:3]([H:15])([H:16])[H:17])([C:4]([H:18])([H:19])[H:20])[O:8][C:6]([H:23])([H:24])[C:2]([H:12])([H:13])[H:14]', inchi_key='KFRVYYGHSPLXSZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651740', cmiles='[H:7][C:2]([H:8])([H:9])[C:1](=[O:6])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:3]([H:10])([H:11])[H:12]', inchi_key='XNLICIUVMPYHGG-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651955', cmiles='[H:7][C:2]([H:8])([H:9])[C:1](=[O:6])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:3]([H:10])([H:11])[H:12]', inchi_key='XNLICIUVMPYHGG-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651701', cmiles='[H:8][C:2]([H:9])([H:10])[C:5]([H:16])([H:17])[C:4]([H:14])([H:15])[C:1](=[O:6])[O:7][C:3]([H:11])([H:12])[H:13]', inchi_key='UUIQMZJEGPQKFD-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651916', cmiles='[H:8][C:2]([H:9])([H:10])[C:5]([H:16])([H:17])[C:4]([H:14])([H:15])[C:1](=[O:6])[O:7][C:3]([H:11])([H:12])[H:13]', inchi_key='UUIQMZJEGPQKFD-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651693', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:6]([H:20])([H:21])[C:3]([H:13])([H:14])[H:15]', inchi_key='HUAZGNHGCJGYNP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651908', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:6]([H:20])([H:21])[C:3]([H:13])([H:14])[H:15]', inchi_key='HUAZGNHGCJGYNP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651747', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:6]([H:20])([H:21])[C:3]([H:13])([H:14])[H:15]', inchi_key='HUAZGNHGCJGYNP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651962', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:6]([H:20])([H:21])[C:3]([H:13])([H:14])[H:15]', inchi_key='HUAZGNHGCJGYNP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651831', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:6]([H:20])([H:21])[C:3]([H:13])([H:14])[H:15]', inchi_key='HUAZGNHGCJGYNP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652046', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:6]([H:20])([H:21])[C:3]([H:13])([H:14])[H:15]', inchi_key='HUAZGNHGCJGYNP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651835', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:6]([H:20])([H:21])[C:3]([H:13])([H:14])[H:15]', inchi_key='HUAZGNHGCJGYNP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652050', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:6]([H:20])([H:21])[C:3]([H:13])([H:14])[H:15]', inchi_key='HUAZGNHGCJGYNP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651855', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:6]([H:20])([H:21])[C:3]([H:13])([H:14])[H:15]', inchi_key='HUAZGNHGCJGYNP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652070', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:6]([H:20])([H:21])[C:3]([H:13])([H:14])[H:15]', inchi_key='HUAZGNHGCJGYNP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651729', cmiles='[H:8][C:2]([H:9])([H:10])[C:1](=[O:7])[C:4]([H:14])([H:15])[C:6]([H:18])([H:19])[C:5]([H:16])([H:17])[C:3]([H:11])([H:12])[H:13]', inchi_key='QQZOPKMRPOGIEB-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651944', cmiles='[H:8][C:2]([H:9])([H:10])[C:1](=[O:7])[C:4]([H:14])([H:15])[C:6]([H:18])([H:19])[C:5]([H:16])([H:17])[C:3]([H:11])([H:12])[H:13]', inchi_key='QQZOPKMRPOGIEB-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651839', cmiles='[H:8][C:2]([H:9])([H:10])[C:1](=[O:7])[C:4]([H:14])([H:15])[C:6]([H:18])([H:19])[C:5]([H:16])([H:17])[C:3]([H:11])([H:12])[H:13]', inchi_key='QQZOPKMRPOGIEB-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652054', cmiles='[H:8][C:2]([H:9])([H:10])[C:1](=[O:7])[C:4]([H:14])([H:15])[C:6]([H:18])([H:19])[C:5]([H:16])([H:17])[C:3]([H:11])([H:12])[H:13]', inchi_key='QQZOPKMRPOGIEB-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651774', cmiles='[H:8][C:2]([H:9])([H:10])[C:1](=[O:7])[C:4]([H:14])([H:15])[C:6]([H:18])([H:19])[C:5]([H:16])([H:17])[C:3]([H:11])([H:12])[H:13]', inchi_key='QQZOPKMRPOGIEB-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651989', cmiles='[H:8][C:2]([H:9])([H:10])[C:1](=[O:7])[C:4]([H:14])([H:15])[C:6]([H:18])([H:19])[C:5]([H:16])([H:17])[C:3]([H:11])([H:12])[H:13]', inchi_key='QQZOPKMRPOGIEB-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651874', cmiles='[H:9][C:2]([H:10])([H:11])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:3]([H:12])([H:13])[H:14]', inchi_key='HNBDRPTVWVGKBR-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652089', cmiles='[H:9][C:2]([H:10])([H:11])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:3]([H:12])([H:13])[H:14]', inchi_key='HNBDRPTVWVGKBR-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651737', cmiles='[H:9][C:2]([H:10])([H:11])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:3]([H:12])([H:13])[H:14]', inchi_key='HNBDRPTVWVGKBR-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651952', cmiles='[H:9][C:2]([H:10])([H:11])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:3]([H:12])([H:13])[H:14]', inchi_key='HNBDRPTVWVGKBR-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651896', cmiles='[H:9][C:2]([H:10])([H:11])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:3]([H:12])([H:13])[H:14]', inchi_key='HNBDRPTVWVGKBR-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652111', cmiles='[H:9][C:2]([H:10])([H:11])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:3]([H:12])([H:13])[H:14]', inchi_key='HNBDRPTVWVGKBR-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651746', cmiles='[H:9][C:2]([H:10])([H:11])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:3]([H:12])([H:13])[H:14]', inchi_key='HNBDRPTVWVGKBR-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651961', cmiles='[H:9][C:2]([H:10])([H:11])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:3]([H:12])([H:13])[H:14]', inchi_key='HNBDRPTVWVGKBR-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651728', cmiles='[H:9][C:2]([H:10])([H:11])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:3]([H:12])([H:13])[H:14]', inchi_key='HNBDRPTVWVGKBR-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651943', cmiles='[H:9][C:2]([H:10])([H:11])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:3]([H:12])([H:13])[H:14]', inchi_key='HNBDRPTVWVGKBR-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651723', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:3]([H:13])([H:14])[H:15]', inchi_key='ICMAFTSLXCXHRK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651938', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:3]([H:13])([H:14])[H:15]', inchi_key='ICMAFTSLXCXHRK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651726', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:3]([H:13])([H:14])[H:15]', inchi_key='ICMAFTSLXCXHRK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651941', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:3]([H:13])([H:14])[H:15]', inchi_key='ICMAFTSLXCXHRK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651761', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:3]([H:13])([H:14])[H:15]', inchi_key='ICMAFTSLXCXHRK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651976', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:3]([H:13])([H:14])[H:15]', inchi_key='ICMAFTSLXCXHRK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651703', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:3]([H:13])([H:14])[H:15]', inchi_key='ICMAFTSLXCXHRK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651918', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:3]([H:13])([H:14])[H:15]', inchi_key='ICMAFTSLXCXHRK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651812', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:3]([H:13])([H:14])[H:15]', inchi_key='ICMAFTSLXCXHRK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652027', cmiles='[H:10][C:2]([H:11])([H:12])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:4]([H:16])([H:17])[C:1](=[O:8])[O:9][C:7]([H:22])([H:23])[C:3]([H:13])([H:14])[H:15]', inchi_key='ICMAFTSLXCXHRK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651795', cmiles='[H:6][C:1]([H:7])([H:8])[C:3]([H:12])([H:13])[C:5]([H:16])([H:17])[C:4]([H:14])([H:15])[C:2]([H:9])([H:10])[H:11]', inchi_key='OFBQJSOFQDEBGM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652010', cmiles='[H:6][C:1]([H:7])([H:8])[C:3]([H:12])([H:13])[C:5]([H:16])([H:17])[C:4]([H:14])([H:15])[C:2]([H:9])([H:10])[H:11]', inchi_key='OFBQJSOFQDEBGM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651851', cmiles='[H:7][C:1](=[C:2]([H:9])[C:4]([H:13])([H:14])[C:6]([H:17])([H:18])[C:5]([H:15])([H:16])[C:3]([H:10])([H:11])[H:12])[H:8]', inchi_key='LIKMAJRDDDTEIG-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652066', cmiles='[H:7][C:1](=[C:2]([H:9])[C:4]([H:13])([H:14])[C:6]([H:17])([H:18])[C:5]([H:15])([H:16])[C:3]([H:10])([H:11])[H:12])[H:8]', inchi_key='LIKMAJRDDDTEIG-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651870', cmiles='[H:7][C:1](=[C:2]([H:9])[C:4]([H:13])([H:14])[C:6]([H:17])([H:18])[C:5]([H:15])([H:16])[C:3]([H:10])([H:11])[H:12])[H:8]', inchi_key='LIKMAJRDDDTEIG-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652085', cmiles='[H:7][C:1](=[C:2]([H:9])[C:4]([H:13])([H:14])[C:6]([H:17])([H:18])[C:5]([H:15])([H:16])[C:3]([H:10])([H:11])[H:12])[H:8]', inchi_key='LIKMAJRDDDTEIG-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651797', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:8])[C:4]([H:15])([H:16])[C:6]([H:19])([H:20])[C:7]([H:21])([H:22])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='CATSNJVOTSVZJV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652012', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:8])[C:4]([H:15])([H:16])[C:6]([H:19])([H:20])[C:7]([H:21])([H:22])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='CATSNJVOTSVZJV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651725', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:8])[C:4]([H:15])([H:16])[C:6]([H:19])([H:20])[C:7]([H:21])([H:22])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='CATSNJVOTSVZJV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651940', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:8])[C:4]([H:15])([H:16])[C:6]([H:19])([H:20])[C:7]([H:21])([H:22])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='CATSNJVOTSVZJV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651745', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:8])[C:4]([H:15])([H:16])[C:6]([H:19])([H:20])[C:7]([H:21])([H:22])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='CATSNJVOTSVZJV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651960', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:8])[C:4]([H:15])([H:16])[C:6]([H:19])([H:20])[C:7]([H:21])([H:22])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='CATSNJVOTSVZJV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651719', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:8])[C:4]([H:15])([H:16])[C:6]([H:19])([H:20])[C:7]([H:21])([H:22])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='CATSNJVOTSVZJV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651934', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:8])[C:4]([H:15])([H:16])[C:6]([H:19])([H:20])[C:7]([H:21])([H:22])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='CATSNJVOTSVZJV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651739', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:8])[C:4]([H:15])([H:16])[C:6]([H:19])([H:20])[C:7]([H:21])([H:22])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='CATSNJVOTSVZJV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651954', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:8])[C:4]([H:15])([H:16])[C:6]([H:19])([H:20])[C:7]([H:21])([H:22])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='CATSNJVOTSVZJV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651877', cmiles='[H:7][C:1]([H:8])([H:9])[C:3]([H:13])([H:14])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[C:4]([H:15])([H:16])[C:2]([H:10])([H:11])[H:12]', inchi_key='VLKZOEOYAKHREP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652092', cmiles='[H:7][C:1]([H:8])([H:9])[C:3]([H:13])([H:14])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[C:4]([H:15])([H:16])[C:2]([H:10])([H:11])[H:12]', inchi_key='VLKZOEOYAKHREP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651852', cmiles='[H:8][C:1]([H:9])([H:10])[C:3]([H:14])([H:15])[C:5]([H:18])([H:19])[C:7]([H:22])([H:23])[C:6]([H:20])([H:21])[C:4]([H:16])([H:17])[C:2]([H:11])([H:12])[H:13]', inchi_key='IMNFDUFMRHMDMM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652067', cmiles='[H:8][C:1]([H:9])([H:10])[C:3]([H:14])([H:15])[C:5]([H:18])([H:19])[C:7]([H:22])([H:23])[C:6]([H:20])([H:21])[C:4]([H:16])([H:17])[C:2]([H:11])([H:12])[H:13]', inchi_key='IMNFDUFMRHMDMM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651856', cmiles='[H:8][C:1]([H:9])([H:10])[C:3]([H:14])([H:15])[C:5]([H:18])([H:19])[C:7]([H:22])([H:23])[C:6]([H:20])([H:21])[C:4]([H:16])([H:17])[C:2]([H:11])([H:12])[H:13]', inchi_key='IMNFDUFMRHMDMM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652071', cmiles='[H:8][C:1]([H:9])([H:10])[C:3]([H:14])([H:15])[C:5]([H:18])([H:19])[C:7]([H:22])([H:23])[C:6]([H:20])([H:21])[C:4]([H:16])([H:17])[C:2]([H:11])([H:12])[H:13]', inchi_key='IMNFDUFMRHMDMM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651705', cmiles='[H:9][C:1]([H:10])([H:11])[C:3]([H:15])([H:16])[C:5]([H:19])([H:20])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[C:6]([H:21])([H:22])[C:4]([H:17])([H:18])[C:2]([H:12])([H:13])[H:14]', inchi_key='TVMXDCGIABBOFY-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651920', cmiles='[H:9][C:1]([H:10])([H:11])[C:3]([H:15])([H:16])[C:5]([H:19])([H:20])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[C:6]([H:21])([H:22])[C:4]([H:17])([H:18])[C:2]([H:12])([H:13])[H:14]', inchi_key='TVMXDCGIABBOFY-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651842', cmiles='[H:9][C:1]([H:10])([H:11])[C:3]([H:15])([H:16])[C:5]([H:19])([H:20])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[C:6]([H:21])([H:22])[C:4]([H:17])([H:18])[C:2]([H:12])([H:13])[H:14]', inchi_key='TVMXDCGIABBOFY-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652057', cmiles='[H:9][C:1]([H:10])([H:11])[C:3]([H:15])([H:16])[C:5]([H:19])([H:20])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[C:6]([H:21])([H:22])[C:4]([H:17])([H:18])[C:2]([H:12])([H:13])[H:14]', inchi_key='TVMXDCGIABBOFY-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651744', cmiles='[H:9][C:1]([H:10])([H:11])[C:3]([H:15])([H:16])[C:5]([H:19])([H:20])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[C:6]([H:21])([H:22])[C:4]([H:17])([H:18])[C:2]([H:12])([H:13])[H:14]', inchi_key='TVMXDCGIABBOFY-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651959', cmiles='[H:9][C:1]([H:10])([H:11])[C:3]([H:15])([H:16])[C:5]([H:19])([H:20])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[C:6]([H:21])([H:22])[C:4]([H:17])([H:18])[C:2]([H:12])([H:13])[H:14]', inchi_key='TVMXDCGIABBOFY-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651864', cmiles='[H:9][C:1]([H:10])([H:11])[C:3]([H:15])([H:16])[C:5]([H:19])([H:20])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[C:6]([H:21])([H:22])[C:4]([H:17])([H:18])[C:2]([H:12])([H:13])[H:14]', inchi_key='TVMXDCGIABBOFY-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652079', cmiles='[H:9][C:1]([H:10])([H:11])[C:3]([H:15])([H:16])[C:5]([H:19])([H:20])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[C:6]([H:21])([H:22])[C:4]([H:17])([H:18])[C:2]([H:12])([H:13])[H:14]', inchi_key='TVMXDCGIABBOFY-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651713', cmiles='[H:9][C:1]([H:10])([H:11])[C:3]([H:15])([H:16])[C:5]([H:19])([H:20])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[C:6]([H:21])([H:22])[C:4]([H:17])([H:18])[C:2]([H:12])([H:13])[H:14]', inchi_key='TVMXDCGIABBOFY-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651928', cmiles='[H:9][C:1]([H:10])([H:11])[C:3]([H:15])([H:16])[C:5]([H:19])([H:20])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[C:6]([H:21])([H:22])[C:4]([H:17])([H:18])[C:2]([H:12])([H:13])[H:14]', inchi_key='TVMXDCGIABBOFY-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651730', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[C:9]([H:28])([H:29])[C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='BKIMMITUMNQMOS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651945', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[C:9]([H:28])([H:29])[C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='BKIMMITUMNQMOS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651707', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[C:9]([H:28])([H:29])[C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='BKIMMITUMNQMOS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651922', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[C:9]([H:28])([H:29])[C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='BKIMMITUMNQMOS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651754', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[C:9]([H:28])([H:29])[C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='BKIMMITUMNQMOS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651969', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[C:9]([H:28])([H:29])[C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='BKIMMITUMNQMOS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651853', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[C:9]([H:28])([H:29])[C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='BKIMMITUMNQMOS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652068', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[C:9]([H:28])([H:29])[C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='BKIMMITUMNQMOS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651902', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[C:9]([H:28])([H:29])[C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='BKIMMITUMNQMOS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652117', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[C:9]([H:28])([H:29])[C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='BKIMMITUMNQMOS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651779', cmiles='[H:10][C:1]([H:11])([H:12])[C:2]([H:13])([H:14])[C:3]([H:15])([H:16])[C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[C:6]([H:21])([H:22])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[O:9][H:27]', inchi_key='KBPLFHHGFOOTCA-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651994', cmiles='[H:10][C:1]([H:11])([H:12])[C:2]([H:13])([H:14])[C:3]([H:15])([H:16])[C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[C:6]([H:21])([H:22])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[O:9][H:27]', inchi_key='KBPLFHHGFOOTCA-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651828', cmiles='[H:10][C:1]([H:11])([H:12])[C:2]([H:13])([H:14])[C:3]([H:15])([H:16])[C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[C:6]([H:21])([H:22])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[O:9][H:27]', inchi_key='KBPLFHHGFOOTCA-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652043', cmiles='[H:10][C:1]([H:11])([H:12])[C:2]([H:13])([H:14])[C:3]([H:15])([H:16])[C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[C:6]([H:21])([H:22])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[O:9][H:27]', inchi_key='KBPLFHHGFOOTCA-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651788', cmiles='[H:10][C:1]([H:11])([H:12])[C:2]([H:13])([H:14])[C:3]([H:15])([H:16])[C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[C:6]([H:21])([H:22])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[O:9][H:27]', inchi_key='KBPLFHHGFOOTCA-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652003', cmiles='[H:10][C:1]([H:11])([H:12])[C:2]([H:13])([H:14])[C:3]([H:15])([H:16])[C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[C:6]([H:21])([H:22])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[O:9][H:27]', inchi_key='KBPLFHHGFOOTCA-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651802', cmiles='[H:10][C:1]([H:11])([H:12])[C:2]([H:13])([H:14])[C:3]([H:15])([H:16])[C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[C:6]([H:21])([H:22])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[O:9][H:27]', inchi_key='KBPLFHHGFOOTCA-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652017', cmiles='[H:10][C:1]([H:11])([H:12])[C:2]([H:13])([H:14])[C:3]([H:15])([H:16])[C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[C:6]([H:21])([H:22])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[O:9][H:27]', inchi_key='KBPLFHHGFOOTCA-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651846', cmiles='[H:10][C:1]([H:11])([H:12])[C:2]([H:13])([H:14])[C:3]([H:15])([H:16])[C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[C:6]([H:21])([H:22])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[O:9][H:27]', inchi_key='KBPLFHHGFOOTCA-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652061', cmiles='[H:10][C:1]([H:11])([H:12])[C:2]([H:13])([H:14])[C:3]([H:15])([H:16])[C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[C:6]([H:21])([H:22])[C:7]([H:23])([H:24])[C:8]([H:25])([H:26])[O:9][H:27]', inchi_key='KBPLFHHGFOOTCA-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651786', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:7]([H:22])([H:23])[O:8][H:24]', inchi_key='BBMCTIGTTCKYKF-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652001', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:7]([H:22])([H:23])[O:8][H:24]', inchi_key='BBMCTIGTTCKYKF-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651905', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:7]([H:22])([H:23])[O:8][H:24]', inchi_key='BBMCTIGTTCKYKF-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652120', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:7]([H:22])([H:23])[O:8][H:24]', inchi_key='BBMCTIGTTCKYKF-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651708', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:7]([H:22])([H:23])[O:8][H:24]', inchi_key='BBMCTIGTTCKYKF-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651923', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:7]([H:22])([H:23])[O:8][H:24]', inchi_key='BBMCTIGTTCKYKF-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651823', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:7]([H:22])([H:23])[O:8][H:24]', inchi_key='BBMCTIGTTCKYKF-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652038', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:7]([H:22])([H:23])[O:8][H:24]', inchi_key='BBMCTIGTTCKYKF-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651814', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:7]([H:22])([H:23])[O:8][H:24]', inchi_key='BBMCTIGTTCKYKF-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652029', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[C:5]([H:18])([H:19])[C:6]([H:20])([H:21])[C:7]([H:22])([H:23])[O:8][H:24]', inchi_key='BBMCTIGTTCKYKF-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651697', cmiles='[H:8][C:1]([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[C:4]([H:15])([H:16])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[O:7][H:21]', inchi_key='ZSIAUFGUXNUGDI-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651912', cmiles='[H:8][C:1]([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[C:4]([H:15])([H:16])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[O:7][H:21]', inchi_key='ZSIAUFGUXNUGDI-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651706', cmiles='[H:8][C:1]([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[C:4]([H:15])([H:16])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[O:7][H:21]', inchi_key='ZSIAUFGUXNUGDI-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651921', cmiles='[H:8][C:1]([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[C:4]([H:15])([H:16])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[O:7][H:21]', inchi_key='ZSIAUFGUXNUGDI-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651807', cmiles='[H:8][C:1]([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[C:4]([H:15])([H:16])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[O:7][H:21]', inchi_key='ZSIAUFGUXNUGDI-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652022', cmiles='[H:8][C:1]([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[C:4]([H:15])([H:16])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[O:7][H:21]', inchi_key='ZSIAUFGUXNUGDI-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651884', cmiles='[H:8][C:1]([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[C:4]([H:15])([H:16])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[O:7][H:21]', inchi_key='ZSIAUFGUXNUGDI-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652099', cmiles='[H:8][C:1]([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[C:4]([H:15])([H:16])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[O:7][H:21]', inchi_key='ZSIAUFGUXNUGDI-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651803', cmiles='[H:8][C:1]([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[C:4]([H:15])([H:16])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[O:7][H:21]', inchi_key='ZSIAUFGUXNUGDI-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652018', cmiles='[H:8][C:1]([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[C:4]([H:15])([H:16])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[O:7][H:21]', inchi_key='ZSIAUFGUXNUGDI-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651810', cmiles='[H:7][C:1]([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[O:6][H:18]', inchi_key='AMQJEAYHLZJPGS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652025', cmiles='[H:7][C:1]([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[O:6][H:18]', inchi_key='AMQJEAYHLZJPGS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651714', cmiles='[H:7][C:1]([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[O:6][H:18]', inchi_key='AMQJEAYHLZJPGS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651929', cmiles='[H:7][C:1]([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[O:6][H:18]', inchi_key='AMQJEAYHLZJPGS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651796', cmiles='[H:7][C:1]([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[O:6][H:18]', inchi_key='AMQJEAYHLZJPGS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652011', cmiles='[H:7][C:1]([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[O:6][H:18]', inchi_key='AMQJEAYHLZJPGS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651880', cmiles='[H:7][C:1]([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[O:6][H:18]', inchi_key='AMQJEAYHLZJPGS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652095', cmiles='[H:7][C:1]([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[O:6][H:18]', inchi_key='AMQJEAYHLZJPGS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651760', cmiles='[H:7][C:1]([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[O:6][H:18]', inchi_key='AMQJEAYHLZJPGS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651975', cmiles='[H:7][C:1]([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[O:6][H:18]', inchi_key='AMQJEAYHLZJPGS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651868', cmiles='[H:6][C:1]([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][H:15]', inchi_key='LRHPLDYGYMQRHN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652083', cmiles='[H:6][C:1]([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][H:15]', inchi_key='LRHPLDYGYMQRHN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651780', cmiles='[H:6][C:1]([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][H:15]', inchi_key='LRHPLDYGYMQRHN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651995', cmiles='[H:6][C:1]([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][H:15]', inchi_key='LRHPLDYGYMQRHN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651850', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:4]([H:15])([H:16])[C:3]([H:12])([H:13])[H:14]', inchi_key='DKPFZGUDAPQIHT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652065', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:4]([H:15])([H:16])[C:3]([H:12])([H:13])[H:14]', inchi_key='DKPFZGUDAPQIHT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651876', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:4]([H:15])([H:16])[C:3]([H:12])([H:13])[H:14]', inchi_key='DKPFZGUDAPQIHT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652091', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:4]([H:15])([H:16])[C:3]([H:12])([H:13])[H:14]', inchi_key='DKPFZGUDAPQIHT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651883', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:4]([H:15])([H:16])[C:3]([H:12])([H:13])[H:14]', inchi_key='DKPFZGUDAPQIHT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652098', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:4]([H:15])([H:16])[C:3]([H:12])([H:13])[H:14]', inchi_key='DKPFZGUDAPQIHT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651844', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:4]([H:15])([H:16])[C:3]([H:12])([H:13])[H:14]', inchi_key='DKPFZGUDAPQIHT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652059', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:4]([H:15])([H:16])[C:3]([H:12])([H:13])[H:14]', inchi_key='DKPFZGUDAPQIHT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651888', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:4]([H:15])([H:16])[C:3]([H:12])([H:13])[H:14]', inchi_key='DKPFZGUDAPQIHT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652103', cmiles='[H:9][C:2]([H:10])([H:11])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:4]([H:15])([H:16])[C:3]([H:12])([H:13])[H:14]', inchi_key='DKPFZGUDAPQIHT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651895', cmiles='[H:8][C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:4]([H:14])([H:15])[C:3]([H:12])([H:13])[C:2]([H:9])([H:10])[H:11]', inchi_key='NMJJFJNHVMGPGM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652110', cmiles='[H:8][C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:4]([H:14])([H:15])[C:3]([H:12])([H:13])[C:2]([H:9])([H:10])[H:11]', inchi_key='NMJJFJNHVMGPGM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651881', cmiles='[H:8][C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:4]([H:14])([H:15])[C:3]([H:12])([H:13])[C:2]([H:9])([H:10])[H:11]', inchi_key='NMJJFJNHVMGPGM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652096', cmiles='[H:8][C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:4]([H:14])([H:15])[C:3]([H:12])([H:13])[C:2]([H:9])([H:10])[H:11]', inchi_key='NMJJFJNHVMGPGM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651822', cmiles='[H:8][C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:4]([H:14])([H:15])[C:3]([H:12])([H:13])[C:2]([H:9])([H:10])[H:11]', inchi_key='NMJJFJNHVMGPGM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652037', cmiles='[H:8][C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:4]([H:14])([H:15])[C:3]([H:12])([H:13])[C:2]([H:9])([H:10])[H:11]', inchi_key='NMJJFJNHVMGPGM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651836', cmiles='[H:8][C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:4]([H:14])([H:15])[C:3]([H:12])([H:13])[C:2]([H:9])([H:10])[H:11]', inchi_key='NMJJFJNHVMGPGM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652051', cmiles='[H:8][C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:4]([H:14])([H:15])[C:3]([H:12])([H:13])[C:2]([H:9])([H:10])[H:11]', inchi_key='NMJJFJNHVMGPGM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651751', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[O:9][C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='DURPTKYDGMDSBL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651966', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[O:9][C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='DURPTKYDGMDSBL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651819', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[O:9][C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='DURPTKYDGMDSBL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652034', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[O:9][C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='DURPTKYDGMDSBL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651717', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[O:9][C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='DURPTKYDGMDSBL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651932', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[O:9][C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='DURPTKYDGMDSBL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651804', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[O:9][C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='DURPTKYDGMDSBL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652019', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[O:9][C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='DURPTKYDGMDSBL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651695', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[O:9][C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='DURPTKYDGMDSBL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651910', cmiles='[H:10][C:1]([H:11])([H:12])[C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[C:7]([H:24])([H:25])[O:9][C:8]([H:26])([H:27])[C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[C:2]([H:13])([H:14])[H:15]', inchi_key='DURPTKYDGMDSBL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651787', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[O:8][C:6]([H:20])([H:21])[C:5]([H:18])([H:19])[O:7][H:22]', inchi_key='POAOYUHQDCAZBD-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652002', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[O:8][C:6]([H:20])([H:21])[C:5]([H:18])([H:19])[O:7][H:22]', inchi_key='POAOYUHQDCAZBD-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651800', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[O:8][C:6]([H:20])([H:21])[C:5]([H:18])([H:19])[O:7][H:22]', inchi_key='POAOYUHQDCAZBD-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652015', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[O:8][C:6]([H:20])([H:21])[C:5]([H:18])([H:19])[O:7][H:22]', inchi_key='POAOYUHQDCAZBD-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651886', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[O:8][C:6]([H:20])([H:21])[C:5]([H:18])([H:19])[O:7][H:22]', inchi_key='POAOYUHQDCAZBD-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652101', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[O:8][C:6]([H:20])([H:21])[C:5]([H:18])([H:19])[O:7][H:22]', inchi_key='POAOYUHQDCAZBD-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651699', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[O:8][C:6]([H:20])([H:21])[C:5]([H:18])([H:19])[O:7][H:22]', inchi_key='POAOYUHQDCAZBD-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651914', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[O:8][C:6]([H:20])([H:21])[C:5]([H:18])([H:19])[O:7][H:22]', inchi_key='POAOYUHQDCAZBD-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651898', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[O:8][C:6]([H:20])([H:21])[C:5]([H:18])([H:19])[O:7][H:22]', inchi_key='POAOYUHQDCAZBD-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652113', cmiles='[H:9][C:1]([H:10])([H:11])[C:2]([H:12])([H:13])[C:3]([H:14])([H:15])[C:4]([H:16])([H:17])[O:8][C:6]([H:20])([H:21])[C:5]([H:18])([H:19])[O:7][H:22]', inchi_key='POAOYUHQDCAZBD-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651710', cmiles='[H:5][C:1]([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[O:4][H:12]', inchi_key='BDERNNFJNOPAEC-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651925', cmiles='[H:5][C:1]([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[O:4][H:12]', inchi_key='BDERNNFJNOPAEC-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651845', cmiles='[H:8][C:2]([H:9])([H:10])[C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:4]([H:14])([H:15])[C:3]([H:11])([H:12])[H:13]', inchi_key='YKYONYBAUNKHLG-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652060', cmiles='[H:8][C:2]([H:9])([H:10])[C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:4]([H:14])([H:15])[C:3]([H:11])([H:12])[H:13]', inchi_key='YKYONYBAUNKHLG-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651750', cmiles='[H:8][C:2]([H:9])([H:10])[C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:4]([H:14])([H:15])[C:3]([H:11])([H:12])[H:13]', inchi_key='YKYONYBAUNKHLG-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651965', cmiles='[H:8][C:2]([H:9])([H:10])[C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:4]([H:14])([H:15])[C:3]([H:11])([H:12])[H:13]', inchi_key='YKYONYBAUNKHLG-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651770', cmiles='[H:8][C:2]([H:9])([H:10])[C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:4]([H:14])([H:15])[C:3]([H:11])([H:12])[H:13]', inchi_key='YKYONYBAUNKHLG-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651985', cmiles='[H:8][C:2]([H:9])([H:10])[C:1](=[O:6])[O:7][C:5]([H:16])([H:17])[C:4]([H:14])([H:15])[C:3]([H:11])([H:12])[H:13]', inchi_key='YKYONYBAUNKHLG-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651752', cmiles='[H:9][C:2]([H:10])([H:11])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='MCSINKKTEDDPNK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651967', cmiles='[H:9][C:2]([H:10])([H:11])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='MCSINKKTEDDPNK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651801', cmiles='[H:9][C:2]([H:10])([H:11])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='MCSINKKTEDDPNK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652016', cmiles='[H:9][C:2]([H:10])([H:11])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='MCSINKKTEDDPNK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651709', cmiles='[H:9][C:2]([H:10])([H:11])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='MCSINKKTEDDPNK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651924', cmiles='[H:9][C:2]([H:10])([H:11])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='MCSINKKTEDDPNK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651718', cmiles='[H:9][C:2]([H:10])([H:11])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='MCSINKKTEDDPNK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651933', cmiles='[H:9][C:2]([H:10])([H:11])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='MCSINKKTEDDPNK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651875', cmiles='[H:9][C:2]([H:10])([H:11])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='MCSINKKTEDDPNK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652090', cmiles='[H:9][C:2]([H:10])([H:11])[C:4]([H:15])([H:16])[C:1](=[O:7])[O:8][C:6]([H:19])([H:20])[C:5]([H:17])([H:18])[C:3]([H:12])([H:13])[H:14]', inchi_key='MCSINKKTEDDPNK-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651813', cmiles='[H:7][C:1](=[O:5])[O:6][C:4]([H:13])([H:14])[C:3]([H:11])([H:12])[C:2]([H:8])([H:9])[H:10]', inchi_key='KFNNIILCVOLYIR-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652028', cmiles='[H:7][C:1](=[O:5])[O:6][C:4]([H:13])([H:14])[C:3]([H:11])([H:12])[C:2]([H:8])([H:9])[H:10]', inchi_key='KFNNIILCVOLYIR-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651792', cmiles='[H:4][C:1]([H:5])([H:6])[C:2]([H:7])([H:8])[O:3][H:9]', inchi_key='LFQSCWFLJHTTHZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652007', cmiles='[H:4][C:1]([H:5])([H:6])[C:2]([H:7])([H:8])[O:3][H:9]', inchi_key='LFQSCWFLJHTTHZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651825', cmiles='[H:7][C:2]([H:8])([H:9])[C:1](=[O:5])[O:6][C:4]([H:13])([H:14])[C:3]([H:10])([H:11])[H:12]', inchi_key='XEKOWRVHYACXOJ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652040', cmiles='[H:7][C:2]([H:8])([H:9])[C:1](=[O:5])[O:6][C:4]([H:13])([H:14])[C:3]([H:10])([H:11])[H:12]', inchi_key='XEKOWRVHYACXOJ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651698', cmiles='[H:12][C:3]([H:13])([H:14])[C:6]([H:20])([H:21])[O:10][C:1](=[O:8])[C:5]([H:18])([H:19])[C:2](=[O:9])[O:11][C:7]([H:22])([H:23])[C:4]([H:15])([H:16])[H:17]', inchi_key='IYXGSMUGOJNHAZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651913', cmiles='[H:12][C:3]([H:13])([H:14])[C:6]([H:20])([H:21])[O:10][C:1](=[O:8])[C:5]([H:18])([H:19])[C:2](=[O:9])[O:11][C:7]([H:22])([H:23])[C:4]([H:15])([H:16])[H:17]', inchi_key='IYXGSMUGOJNHAZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651879', cmiles='[H:12][C:3]([H:13])([H:14])[C:6]([H:20])([H:21])[O:10][C:1](=[O:8])[C:5]([H:18])([H:19])[C:2](=[O:9])[O:11][C:7]([H:22])([H:23])[C:4]([H:15])([H:16])[H:17]', inchi_key='IYXGSMUGOJNHAZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652094', cmiles='[H:12][C:3]([H:13])([H:14])[C:6]([H:20])([H:21])[O:10][C:1](=[O:8])[C:5]([H:18])([H:19])[C:2](=[O:9])[O:11][C:7]([H:22])([H:23])[C:4]([H:15])([H:16])[H:17]', inchi_key='IYXGSMUGOJNHAZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651824', cmiles='[H:12][C:3]([H:13])([H:14])[C:6]([H:20])([H:21])[O:10][C:1](=[O:8])[C:5]([H:18])([H:19])[C:2](=[O:9])[O:11][C:7]([H:22])([H:23])[C:4]([H:15])([H:16])[H:17]', inchi_key='IYXGSMUGOJNHAZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652039', cmiles='[H:12][C:3]([H:13])([H:14])[C:6]([H:20])([H:21])[O:10][C:1](=[O:8])[C:5]([H:18])([H:19])[C:2](=[O:9])[O:11][C:7]([H:22])([H:23])[C:4]([H:15])([H:16])[H:17]', inchi_key='IYXGSMUGOJNHAZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651753', cmiles='[H:12][C:3]([H:13])([H:14])[C:6]([H:20])([H:21])[O:10][C:1](=[O:8])[C:5]([H:18])([H:19])[C:2](=[O:9])[O:11][C:7]([H:22])([H:23])[C:4]([H:15])([H:16])[H:17]', inchi_key='IYXGSMUGOJNHAZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651968', cmiles='[H:12][C:3]([H:13])([H:14])[C:6]([H:20])([H:21])[O:10][C:1](=[O:8])[C:5]([H:18])([H:19])[C:2](=[O:9])[O:11][C:7]([H:22])([H:23])[C:4]([H:15])([H:16])[H:17]', inchi_key='IYXGSMUGOJNHAZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651716', cmiles='[H:12][C:3]([H:13])([H:14])[C:6]([H:20])([H:21])[O:10][C:1](=[O:8])[C:5]([H:18])([H:19])[C:2](=[O:9])[O:11][C:7]([H:22])([H:23])[C:4]([H:15])([H:16])[H:17]', inchi_key='IYXGSMUGOJNHAZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651931', cmiles='[H:12][C:3]([H:13])([H:14])[C:6]([H:20])([H:21])[O:10][C:1](=[O:8])[C:5]([H:18])([H:19])[C:2](=[O:9])[O:11][C:7]([H:22])([H:23])[C:4]([H:15])([H:16])[H:17]', inchi_key='IYXGSMUGOJNHAZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651762', cmiles='[H:8][C:1]([H:9])([H:10])[C:5]([H:20])([H:21])[O:7][C:6]([C:2]([H:11])([H:12])[H:13])([C:3]([H:14])([H:15])[H:16])[C:4]([H:17])([H:18])[H:19]', inchi_key='NUMQCACRALPSHD-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651977', cmiles='[H:8][C:1]([H:9])([H:10])[C:5]([H:20])([H:21])[O:7][C:6]([C:2]([H:11])([H:12])[H:13])([C:3]([H:14])([H:15])[H:16])[C:4]([H:17])([H:18])[H:19]', inchi_key='NUMQCACRALPSHD-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651830', cmiles='[H:6][C:1](=[O:4])[O:5][C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9]', inchi_key='WBJINCZRORDGAQ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652045', cmiles='[H:6][C:1](=[O:4])[O:5][C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9]', inchi_key='WBJINCZRORDGAQ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651847', cmiles='[H:7][C:1]([H:8])([H:9])[C:2]([H:10])([H:11])[O:6][C:4]([H:14])([H:15])[C:3]([H:12])([H:13])[O:5][H:16]', inchi_key='ZNQVEEAIQZEUHB-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652062', cmiles='[H:7][C:1]([H:8])([H:9])[C:2]([H:10])([H:11])[O:6][C:4]([H:14])([H:15])[C:3]([H:12])([H:13])[O:5][H:16]', inchi_key='ZNQVEEAIQZEUHB-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651721', cmiles='[H:7][C:1]([H:8])([H:9])[C:2]([H:10])([H:11])[O:6][C:4]([H:14])([H:15])[C:3]([H:12])([H:13])[O:5][H:16]', inchi_key='ZNQVEEAIQZEUHB-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651936', cmiles='[H:7][C:1]([H:8])([H:9])[C:2]([H:10])([H:11])[O:6][C:4]([H:14])([H:15])[C:3]([H:12])([H:13])[O:5][H:16]', inchi_key='ZNQVEEAIQZEUHB-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651849', cmiles='[H:7][C:1]([H:8])([H:9])[C:2]([H:10])([H:11])[O:6][C:4]([H:14])([H:15])[C:3]([H:12])([H:13])[O:5][H:16]', inchi_key='ZNQVEEAIQZEUHB-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652064', cmiles='[H:7][C:1]([H:8])([H:9])[C:2]([H:10])([H:11])[O:6][C:4]([H:14])([H:15])[C:3]([H:12])([H:13])[O:5][H:16]', inchi_key='ZNQVEEAIQZEUHB-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651815', cmiles='[H:7][C:1]([H:8])([H:9])[C:2]([H:10])([H:11])[O:6][C:4]([H:14])([H:15])[C:3]([H:12])([H:13])[O:5][H:16]', inchi_key='ZNQVEEAIQZEUHB-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652030', cmiles='[H:7][C:1]([H:8])([H:9])[C:2]([H:10])([H:11])[O:6][C:4]([H:14])([H:15])[C:3]([H:12])([H:13])[O:5][H:16]', inchi_key='ZNQVEEAIQZEUHB-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651731', cmiles='[H:10][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:12])[H:14])[O:9][C:8]([H:18])([H:19])[C:7]([H:15])([H:16])[H:17])[H:13])[H:11]', inchi_key='DLRJIFUOBPOJNS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651946', cmiles='[H:10][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:12])[H:14])[O:9][C:8]([H:18])([H:19])[C:7]([H:15])([H:16])[H:17])[H:13])[H:11]', inchi_key='DLRJIFUOBPOJNS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651775', cmiles='[H:9][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:11])[H:13])[C:8]([H:17])([H:18])[C:7]([H:14])([H:15])[H:16])[H:12])[H:10]', inchi_key='YNQLUTRBYVCPMQ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651990', cmiles='[H:9][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:11])[H:13])[C:8]([H:17])([H:18])[C:7]([H:14])([H:15])[H:16])[H:12])[H:10]', inchi_key='YNQLUTRBYVCPMQ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651863', cmiles='[H:3][C:1]([H:4])([H:5])[O:2][H:6]', inchi_key='OKKJLVBELUTLKV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652078', cmiles='[H:3][C:1]([H:4])([H:5])[O:2][H:6]', inchi_key='OKKJLVBELUTLKV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651821', cmiles='[H:5][C:1](=[O:3])[O:4][C:2]([H:6])([H:7])[H:8]', inchi_key='TZIHFWKZFHZASV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652036', cmiles='[H:5][C:1](=[O:3])[O:4][C:2]([H:6])([H:7])[H:8]', inchi_key='TZIHFWKZFHZASV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651691', cmiles='[H:9][C:1]([H:10])([H:11])[O:7][C:3]([H:14])([H:15])[C:5]([H:18])([H:19])[O:8][C:4]([H:16])([H:17])[C:2]([H:12])([H:13])[O:6][H:20]', inchi_key='SBASXUCJHJRPEV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651906', cmiles='[H:9][C:1]([H:10])([H:11])[O:7][C:3]([H:14])([H:15])[C:5]([H:18])([H:19])[O:8][C:4]([H:16])([H:17])[C:2]([H:12])([H:13])[O:6][H:20]', inchi_key='SBASXUCJHJRPEV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651783', cmiles='[H:9][C:1]([H:10])([H:11])[O:7][C:3]([H:14])([H:15])[C:5]([H:18])([H:19])[O:8][C:4]([H:16])([H:17])[C:2]([H:12])([H:13])[O:6][H:20]', inchi_key='SBASXUCJHJRPEV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651998', cmiles='[H:9][C:1]([H:10])([H:11])[O:7][C:3]([H:14])([H:15])[C:5]([H:18])([H:19])[O:8][C:4]([H:16])([H:17])[C:2]([H:12])([H:13])[O:6][H:20]', inchi_key='SBASXUCJHJRPEV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651841', cmiles='[H:9][C:1]([H:10])([H:11])[O:7][C:3]([H:14])([H:15])[C:5]([H:18])([H:19])[O:8][C:4]([H:16])([H:17])[C:2]([H:12])([H:13])[O:6][H:20]', inchi_key='SBASXUCJHJRPEV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652056', cmiles='[H:9][C:1]([H:10])([H:11])[O:7][C:3]([H:14])([H:15])[C:5]([H:18])([H:19])[O:8][C:4]([H:16])([H:17])[C:2]([H:12])([H:13])[O:6][H:20]', inchi_key='SBASXUCJHJRPEV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651712', cmiles='[H:9][C:1]([H:10])([H:11])[O:7][C:3]([H:14])([H:15])[C:5]([H:18])([H:19])[O:8][C:4]([H:16])([H:17])[C:2]([H:12])([H:13])[O:6][H:20]', inchi_key='SBASXUCJHJRPEV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651927', cmiles='[H:9][C:1]([H:10])([H:11])[O:7][C:3]([H:14])([H:15])[C:5]([H:18])([H:19])[O:8][C:4]([H:16])([H:17])[C:2]([H:12])([H:13])[O:6][H:20]', inchi_key='SBASXUCJHJRPEV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651892', cmiles='[H:9][C:1]([H:10])([H:11])[O:7][C:3]([H:14])([H:15])[C:5]([H:18])([H:19])[O:8][C:4]([H:16])([H:17])[C:2]([H:12])([H:13])[O:6][H:20]', inchi_key='SBASXUCJHJRPEV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652107', cmiles='[H:9][C:1]([H:10])([H:11])[O:7][C:3]([H:14])([H:15])[C:5]([H:18])([H:19])[O:8][C:4]([H:16])([H:17])[C:2]([H:12])([H:13])[O:6][H:20]', inchi_key='SBASXUCJHJRPEV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651793', cmiles='[H:10][C:1]([H:11])([H:12])[O:7][C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[O:9][C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[O:8][C:2]([H:13])([H:14])[H:15]', inchi_key='SBZXBUIDTXKZTM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652008', cmiles='[H:10][C:1]([H:11])([H:12])[O:7][C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[O:9][C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[O:8][C:2]([H:13])([H:14])[H:15]', inchi_key='SBZXBUIDTXKZTM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651799', cmiles='[H:10][C:1]([H:11])([H:12])[O:7][C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[O:9][C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[O:8][C:2]([H:13])([H:14])[H:15]', inchi_key='SBZXBUIDTXKZTM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652014', cmiles='[H:10][C:1]([H:11])([H:12])[O:7][C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[O:9][C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[O:8][C:2]([H:13])([H:14])[H:15]', inchi_key='SBZXBUIDTXKZTM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651899', cmiles='[H:10][C:1]([H:11])([H:12])[O:7][C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[O:9][C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[O:8][C:2]([H:13])([H:14])[H:15]', inchi_key='SBZXBUIDTXKZTM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652114', cmiles='[H:10][C:1]([H:11])([H:12])[O:7][C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[O:9][C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[O:8][C:2]([H:13])([H:14])[H:15]', inchi_key='SBZXBUIDTXKZTM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651891', cmiles='[H:10][C:1]([H:11])([H:12])[O:7][C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[O:9][C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[O:8][C:2]([H:13])([H:14])[H:15]', inchi_key='SBZXBUIDTXKZTM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652106', cmiles='[H:10][C:1]([H:11])([H:12])[O:7][C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[O:9][C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[O:8][C:2]([H:13])([H:14])[H:15]', inchi_key='SBZXBUIDTXKZTM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651817', cmiles='[H:10][C:1]([H:11])([H:12])[O:7][C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[O:9][C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[O:8][C:2]([H:13])([H:14])[H:15]', inchi_key='SBZXBUIDTXKZTM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652032', cmiles='[H:10][C:1]([H:11])([H:12])[O:7][C:3]([H:16])([H:17])[C:5]([H:20])([H:21])[O:9][C:6]([H:22])([H:23])[C:4]([H:18])([H:19])[O:8][C:2]([H:13])([H:14])[H:15]', inchi_key='SBZXBUIDTXKZTM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651897', cmiles='[H:9][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:11])[H:13])[O:8][C:7]([H:14])([H:15])[H:16])[H:12])[H:10]', inchi_key='RDOXTESZEPMUJZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652112', cmiles='[H:9][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:11])[H:13])[O:8][C:7]([H:14])([H:15])[H:16])[H:12])[H:10]', inchi_key='RDOXTESZEPMUJZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651738', cmiles='[H:18][C@:5]12[C:4]([C@:6]([C:1](=[O:11])[C:7]1([C:9]([H:22])([H:23])[H:24])[C:10]([H:25])([H:26])[H:27])([C:3]([C:2]2([H:12])[H:13])([H:14])[H:15])[C:8]([H:19])([H:20])[H:21])([H:16])[H:17]', inchi_key='LHXDLQBQYFFVNW-OIBJUYFYSA-N'), BasicResult(type='basic', record_id='32651953', cmiles='[H:18][C@:5]12[C:4]([C@:6]([C:1](=[O:11])[C:7]1([C:9]([H:22])([H:23])[H:24])[C:10]([H:25])([H:26])[H:27])([C:3]([C:2]2([H:12])[H:13])([H:14])[H:15])[C:8]([H:19])([H:20])[H:21])([H:16])[H:17]', inchi_key='LHXDLQBQYFFVNW-OIBJUYFYSA-N'), BasicResult(type='basic', record_id='32651859', cmiles='[H:9][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[C:7]([H:13])([H:14])[H:15])[H:11])[H:12])[C:8]([H:16])([H:17])[H:18])[H:10]', inchi_key='URLKBWYHVLBVBO-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652074', cmiles='[H:9][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[C:7]([H:13])([H:14])[H:15])[H:11])[H:12])[C:8]([H:16])([H:17])[H:18])[H:10]', inchi_key='URLKBWYHVLBVBO-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651837', cmiles='[H:8][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:10])[H:12])[C:7]([H:13])([H:14])[H:15])[H:11])[H:9]', inchi_key='YXFVVABEGXRONW-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652052', cmiles='[H:8][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:10])[H:12])[C:7]([H:13])([H:14])[H:15])[H:11])[H:9]', inchi_key='YXFVVABEGXRONW-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651759', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[C:7](=[O:10])[C:9]([H:18])([H:19])[H:20])[C:8]([H:15])([H:16])[H:17])[H:14])[H:12]', inchi_key='YXWWHNCQZBVZPV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651974', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[C:7](=[O:10])[C:9]([H:18])([H:19])[H:20])[C:8]([H:15])([H:16])[H:17])[H:14])[H:12]', inchi_key='YXWWHNCQZBVZPV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651702', cmiles='[H:9][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:11])[C:7]([H:13])([H:14])[H:15])[C:8]([H:16])([H:17])[H:18])[H:12])[H:10]', inchi_key='CTQNGGLPUBDAKN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651917', cmiles='[H:9][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:11])[C:7]([H:13])([H:14])[H:15])[C:8]([H:16])([H:17])[H:18])[H:12])[H:10]', inchi_key='CTQNGGLPUBDAKN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651769', cmiles='[H:15][c:1]1[c:3]([c:7]([c:11]([c:8]([c:4]1[H:18])[H:22])[C:13](=[O:14])[c:12]2[c:9]([c:5]([c:2]([c:6]([c:10]2[H:24])[H:20])[H:16])[H:19])[H:23])[H:21])[H:17]', inchi_key='RWCCWEUUXYIKHB-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651984', cmiles='[H:15][c:1]1[c:3]([c:7]([c:11]([c:8]([c:4]1[H:18])[H:22])[C:13](=[O:14])[c:12]2[c:9]([c:5]([c:2]([c:6]([c:10]2[H:24])[H:20])[H:16])[H:19])[H:23])[H:21])[H:17]', inchi_key='RWCCWEUUXYIKHB-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651732', cmiles='[H:9][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:11])[H:13])[C:7](=[O:8])[H:14])[H:12])[H:10]', inchi_key='HUMNYLRZRPPJDN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651947', cmiles='[H:9][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:11])[H:13])[C:7](=[O:8])[H:14])[H:12])[H:10]', inchi_key='HUMNYLRZRPPJDN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651809', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[H:15])[C:7]([H:16])([H:17])[C:8]([H:18])([H:19])[C:9]([H:20])([H:21])[O:10][H:22])[H:14])[H:12]', inchi_key='VAJVDSVGBWFCLW-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652024', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[H:15])[C:7]([H:16])([H:17])[C:8]([H:18])([H:19])[C:9]([H:20])([H:21])[O:10][H:22])[H:14])[H:12]', inchi_key='VAJVDSVGBWFCLW-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651781', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[H:15])[C:7]([H:16])([H:17])[C:8]([H:18])([H:19])[C:9]([H:20])([H:21])[O:10][H:22])[H:14])[H:12]', inchi_key='VAJVDSVGBWFCLW-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651996', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[H:15])[C:7]([H:16])([H:17])[C:8]([H:18])([H:19])[C:9]([H:20])([H:21])[O:10][H:22])[H:14])[H:12]', inchi_key='VAJVDSVGBWFCLW-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651756', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[H:15])[C:7]([H:16])([H:17])[C:8]([H:18])([H:19])[C:9]([H:20])([H:21])[O:10][H:22])[H:14])[H:12]', inchi_key='VAJVDSVGBWFCLW-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651971', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[H:15])[C:7]([H:16])([H:17])[C:8]([H:18])([H:19])[C:9]([H:20])([H:21])[O:10][H:22])[H:14])[H:12]', inchi_key='VAJVDSVGBWFCLW-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651794', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[H:15])[C:7]([H:16])([H:17])[C:8]([H:18])([H:19])[C:9]([H:20])([H:21])[O:10][H:22])[H:14])[H:12]', inchi_key='VAJVDSVGBWFCLW-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652009', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[H:15])[C:7]([H:16])([H:17])[C:8]([H:18])([H:19])[C:9]([H:20])([H:21])[O:10][H:22])[H:14])[H:12]', inchi_key='VAJVDSVGBWFCLW-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651749', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[H:15])[C:7]([H:16])([H:17])[C:8]([H:18])([H:19])[C:9]([H:20])([H:21])[O:10][H:22])[H:14])[H:12]', inchi_key='VAJVDSVGBWFCLW-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651964', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[H:15])[C:7]([H:16])([H:17])[C:8]([H:18])([H:19])[C:9]([H:20])([H:21])[O:10][H:22])[H:14])[H:12]', inchi_key='VAJVDSVGBWFCLW-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651724', cmiles='[H:10][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:12])[H:14])[C:7]([H:15])([H:16])[C:8]([H:17])([H:18])[O:9][H:19])[H:13])[H:11]', inchi_key='WRMNZCZEMHIOCP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651939', cmiles='[H:10][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:12])[H:14])[C:7]([H:15])([H:16])[C:8]([H:17])([H:18])[O:9][H:19])[H:13])[H:11]', inchi_key='WRMNZCZEMHIOCP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651742', cmiles='[H:10][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:12])[H:14])[C:7]([H:15])([H:16])[C:8]([H:17])([H:18])[O:9][H:19])[H:13])[H:11]', inchi_key='WRMNZCZEMHIOCP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651957', cmiles='[H:10][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:12])[H:14])[C:7]([H:15])([H:16])[C:8]([H:17])([H:18])[O:9][H:19])[H:13])[H:11]', inchi_key='WRMNZCZEMHIOCP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651829', cmiles='[H:9][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:11])[H:13])[C:7]([H:14])([H:15])[O:8][H:16])[H:12])[H:10]', inchi_key='WVDDGKGOMKODPV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652044', cmiles='[H:9][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:11])[H:13])[C:7]([H:14])([H:15])[O:8][H:16])[H:12])[H:10]', inchi_key='WVDDGKGOMKODPV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651772', cmiles='[H:8][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:10])[H:12])[O:7][H:13])[H:11])[H:9]', inchi_key='ISWSIDIOOBJBQZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651987', cmiles='[H:8][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:10])[H:12])[O:7][H:13])[H:11])[H:9]', inchi_key='ISWSIDIOOBJBQZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651808', cmiles='[H:10][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:12])[H:14])[O:9][C:7](=[O:8])[H:15])[H:13])[H:11]', inchi_key='GEOWCLRLLWTHDN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652023', cmiles='[H:10][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:12])[H:14])[O:9][C:7](=[O:8])[H:15])[H:13])[H:11]', inchi_key='GEOWCLRLLWTHDN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651722', cmiles='[H:7][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:9])[H:11])[H:12])[H:10])[H:8]', inchi_key='UHOVQNZJYSORNB-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651937', cmiles='[H:7][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:9])[H:11])[H:12])[H:10])[H:8]', inchi_key='UHOVQNZJYSORNB-UHFFFAOYSA-N')]} provenance={}
entries={'https://api.qcarchive.molssi.org:443/': [OptimizationResult(type='optimization', record_id='6091356', cmiles='[H:18][c:1]1[c:2]([n:15]([c:5]2[c:4]1[c:6]([n:14][c:3]([n:13]2)[H:20])[N:16]3[C:7]([C:9]([N:17]([C:10]([C:8]3([H:23])[H:24])([H:27])[H:28])[C:12]([H:32])([H:33])[H:34])([H:25])[H:26])([H:21])[H:22])[C:11]([H:29])([H:30])[H:31])[H:19]', inchi_key='UQDLNMWYAYJTOG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091357', cmiles='[H:18][c:1]1[c:2]([n:15]([c:5]2[c:4]1[c:6]([n:14][c:3]([n:13]2)[H:20])[N:16]3[C:7]([C:9]([N:17]([C:10]([C:8]3([H:23])[H:24])([H:27])[H:28])[C:12]([H:32])([H:33])[H:34])([H:25])[H:26])([H:21])[H:22])[C:11]([H:29])([H:30])[H:31])[H:19]', inchi_key='UQDLNMWYAYJTOG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091358', cmiles='[H:18][c:1]1[c:2]([n:15]([c:5]2[c:4]1[c:6]([n:14][c:3]([n:13]2)[H:20])[N:16]3[C:7]([C:9]([N:17]([C:10]([C:8]3([H:23])[H:24])([H:27])[H:28])[C:12]([H:32])([H:33])[H:34])([H:25])[H:26])([H:21])[H:22])[C:11]([H:29])([H:30])[H:31])[H:19]', inchi_key='UQDLNMWYAYJTOG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091457', cmiles='[H:10][c:1]1[c:2]([n:6][n:7]([c:3]1[N:8]([H:15])[H:16])[C:4](=[O:9])[C:5]([H:12])([H:13])[H:14])[H:11]', inchi_key='QTKMQNLCAXQEGO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091458', cmiles='[H:16][c:1]1[c:2]([c:4]([c:8]2[c:7]([c:3]1[H:18])[c:5]([c:6]([c:9]([c:10]2[O:15][H:26])[C:11](=[O:14])[N:13]([H:25])[C:12]([H:22])([H:23])[H:24])[H:21])[H:20])[H:19])[H:17]', inchi_key='YEOGSEYGVSFBHS-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091459', cmiles='[H:16][c:1]1[c:2]([c:4]([c:8]2[c:7]([c:3]1[H:18])[c:5]([c:6]([c:9]([c:10]2[O:15][H:26])[C:11](=[O:14])[N:13]([H:25])[C:12]([H:22])([H:23])[H:24])[H:21])[H:20])[H:19])[H:17]', inchi_key='YEOGSEYGVSFBHS-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091473', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[C@:11]2([C:9]([C:8]([C:10]([N:14]2[C:7](=[O:15])[C:13]([H:30])([H:31])[H:32])([H:24])[H:25])([H:20])[H:21])([H:22])[H:23])[H:26])[C:12]([H:27])([H:28])[H:29])[H:19])[H:17]', inchi_key='USRIIEUYYFXAIN-CYBMUJFWSA-N'), OptimizationResult(type='optimization', record_id='6091462', cmiles='[H:16][c:1]1[c:4]([c:3]([c:5]([c:2]([n:11]1)[H:17])[Cl:15])[N:12]2[C:6]([C:8]([N:13]([C:9]([C:7]2([H:20])[H:21])([H:24])[H:25])[C:10]([H:26])([H:27])[H:28])([H:22])[H:23])([H:18])[H:19])[Cl:14]', inchi_key='FNSGBKHKJNAQQX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091331', cmiles='[H:17][c:1]1[c:2]([c:4]2[c:5]([n:12][c:3]1[H:19])[n:13][c:6]([o:16]2)[N:14]3[C:7]([C:9]([N:15]([C:10]([C:8]3([H:22])[H:23])([H:26])[H:27])[C:11]([H:28])([H:29])[H:30])([H:24])[H:25])([H:20])[H:21])[H:18]', inchi_key='KHKBBSWVDVEDOU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091195', cmiles='[H:11][c:1]1[c:2]([c:4]([n:8][n:7][c:3]1[H:13])[N:9]([H:17])[C:5](=[O:10])[C:6]([H:14])([H:15])[H:16])[H:12]', inchi_key='FAXPXZQMSQCLNZ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091196', cmiles='[H:11][c:1]1[c:2]([c:4]([n:8][n:7][c:3]1[H:13])[N:9]([H:17])[C:5](=[O:10])[C:6]([H:14])([H:15])[H:16])[H:12]', inchi_key='FAXPXZQMSQCLNZ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091429', cmiles='[H:18][C@@:5]1([C:3]([C:2]([C:4]([N@@:9]1[C:7]([H:22])([H:23])[H:24])([H:16])[H:17])([H:12])[H:13])([H:14])[H:15])[C:1](=[O:11])[N:10]([H:27])[C:8]([H:25])([H:26])[C:6]([H:19])([H:20])[H:21]', inchi_key='WZPIJWRQBGULAJ-SSDOTTSWSA-N'), OptimizationResult(type='optimization', record_id='6091430', cmiles='[H:18][C@@:5]1([C:3]([C:2]([C:4]([N@@:9]1[C:7]([H:22])([H:23])[H:24])([H:16])[H:17])([H:12])[H:13])([H:14])[H:15])[C:1](=[O:11])[N:10]([H:27])[C:8]([H:25])([H:26])[C:6]([H:19])([H:20])[H:21]', inchi_key='WZPIJWRQBGULAJ-SSDOTTSWSA-N'), OptimizationResult(type='optimization', record_id='6091431', cmiles='[H:18][C@@:5]1([C:3]([C:2]([C:4]([N@@:9]1[C:7]([H:22])([H:23])[H:24])([H:16])[H:17])([H:12])[H:13])([H:14])[H:15])[C:1](=[O:11])[N:10]([H:27])[C:8]([H:25])([H:26])[C:6]([H:19])([H:20])[H:21]', inchi_key='WZPIJWRQBGULAJ-SSDOTTSWSA-N'), OptimizationResult(type='optimization', record_id='6091143', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091144', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091145', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091146', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091147', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091148', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091149', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091150', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091151', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091152', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091153', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091154', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091155', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091156', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091157', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091158', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091159', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091160', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091161', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091162', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([n:12][c:3]1[H:19])[H:20])[C@@:11]([H:30])([C:7](=[O:16])[N:13]([H:31])[C:9]([H:24])([H:25])[H:26])[N:14]([C:6](=[O:15])[C:8]([H:21])([H:22])[H:23])[C:10]([H:27])([H:28])[H:29])[H:18]', inchi_key='LJVYLEGQGKWUQY-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091474', cmiles='[H:15][c:1]1[c:2]([c:3]([n:12]([n:11]1)[C:9]([H:27])([H:28])[H:29])[N:13]2[C:4]([C:6]([N:14]([C:7]([C:5]2([H:18])[H:19])([H:22])[H:23])[C:10]([H:30])([H:31])[H:32])([H:20])[H:21])([H:16])[H:17])[C:8]([H:24])([H:25])[H:26]', inchi_key='VVVKIWQPTFXZAJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091384', cmiles='[H:18][c:1]1[c:2]([n:15]([c:5]2[c:4]1[c:6]([n:14][c:3]([n:13]2)[H:20])[N:17]([H:34])[C@@:11]3([C:8]([C:7]([C:9]([N@@:16]([C:10]3([H:27])[H:28])[C:12]([H:30])([H:31])[H:32])([H:25])[H:26])([H:21])[H:22])([H:23])[H:24])[H:29])[H:33])[H:19]', inchi_key='NEHLYQCBTOYABA-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='6091385', cmiles='[H:18][c:1]1[c:2]([n:15]([c:5]2[c:4]1[c:6]([n:14][c:3]([n:13]2)[H:20])[N:17]([H:34])[C@@:11]3([C:8]([C:7]([C:9]([N@@:16]([C:10]3([H:27])[H:28])[C:12]([H:30])([H:31])[H:32])([H:25])[H:26])([H:21])[H:22])([H:23])[H:24])[H:29])[H:33])[H:19]', inchi_key='NEHLYQCBTOYABA-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='6091386', cmiles='[H:18][c:1]1[c:2]([n:15]([c:5]2[c:4]1[c:6]([n:14][c:3]([n:13]2)[H:20])[N:17]([H:34])[C@@:11]3([C:8]([C:7]([C:9]([N@@:16]([C:10]3([H:27])[H:28])[C:12]([H:30])([H:31])[H:32])([H:25])[H:26])([H:21])[H:22])([H:23])[H:24])[H:29])[H:33])[H:19]', inchi_key='NEHLYQCBTOYABA-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='6091387', cmiles='[H:18][c:1]1[c:2]([n:15]([c:5]2[c:4]1[c:6]([n:14][c:3]([n:13]2)[H:20])[N:17]([H:34])[C@@:11]3([C:8]([C:7]([C:9]([N@@:16]([C:10]3([H:27])[H:28])[C:12]([H:30])([H:31])[H:32])([H:25])[H:26])([H:21])[H:22])([H:23])[H:24])[H:29])[H:33])[H:19]', inchi_key='NEHLYQCBTOYABA-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='6091388', cmiles='[H:18][c:1]1[c:2]([n:15]([c:5]2[c:4]1[c:6]([n:14][c:3]([n:13]2)[H:20])[N:17]([H:34])[C@@:11]3([C:8]([C:7]([C:9]([N@@:16]([C:10]3([H:27])[H:28])[C:12]([H:30])([H:31])[H:32])([H:25])[H:26])([H:21])[H:22])([H:23])[H:24])[H:29])[H:33])[H:19]', inchi_key='NEHLYQCBTOYABA-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='6091246', cmiles='[H:19][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:21])[c:7]([c:5]([n:16]2[C:15]([H:34])([H:35])[H:36])[H:23])[C:9](=[O:18])[N:17]3[C:13]([C:11]([C:10]([C:12]([C:14]3([H:32])[H:33])([H:28])[H:29])([H:24])[H:25])([H:26])[H:27])([H:30])[H:31])[H:22])[H:20]', inchi_key='CAIMODZTAIIUJX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091247', cmiles='[H:19][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:21])[c:7]([c:5]([n:16]2[C:15]([H:34])([H:35])[H:36])[H:23])[C:9](=[O:18])[N:17]3[C:13]([C:11]([C:10]([C:12]([C:14]3([H:32])[H:33])([H:28])[H:29])([H:24])[H:25])([H:26])[H:27])([H:30])[H:31])[H:22])[H:20]', inchi_key='CAIMODZTAIIUJX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091248', cmiles='[H:19][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:21])[c:7]([c:5]([n:16]2[C:15]([H:34])([H:35])[H:36])[H:23])[C:9](=[O:18])[N:17]3[C:13]([C:11]([C:10]([C:12]([C:14]3([H:32])[H:33])([H:28])[H:29])([H:24])[H:25])([H:26])[H:27])([H:30])[H:31])[H:22])[H:20]', inchi_key='CAIMODZTAIIUJX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091370', cmiles='[H:14][c:1]1[n:8][c:2]([c:3]([n:9]1[H:21])[C:5](=[O:13])[N:11]([H:23])[C:7]([H:18])([H:19])[H:20])[C:4](=[O:12])[N:10]([H:22])[C:6]([H:15])([H:16])[H:17]', inchi_key='FDMDLNWXKUUKOU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091371', cmiles='[H:14][c:1]1[n:8][c:2]([c:3]([n:9]1[H:21])[C:5](=[O:13])[N:11]([H:23])[C:7]([H:18])([H:19])[H:20])[C:4](=[O:12])[N:10]([H:22])[C:6]([H:15])([H:16])[H:17]', inchi_key='FDMDLNWXKUUKOU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091372', cmiles='[H:14][c:1]1[n:8][c:2]([c:3]([n:9]1[H:21])[C:5](=[O:13])[N:11]([H:23])[C:7]([H:18])([H:19])[H:20])[C:4](=[O:12])[N:10]([H:22])[C:6]([H:15])([H:16])[H:17]', inchi_key='FDMDLNWXKUUKOU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091373', cmiles='[H:14][c:1]1[n:8][c:2]([c:3]([n:9]1[H:21])[C:5](=[O:13])[N:11]([H:23])[C:7]([H:18])([H:19])[H:20])[C:4](=[O:12])[N:10]([H:22])[C:6]([H:15])([H:16])[H:17]', inchi_key='FDMDLNWXKUUKOU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091407', cmiles='[H:14][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:16])[n:9][n:10][n:11]2[C:7](=[O:13])[N:12]([H:21])[C:8]([H:18])([H:19])[H:20])[H:17])[H:15]', inchi_key='NVLPMXSZBFAYOS-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091408', cmiles='[H:14][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:16])[n:9][n:10][n:11]2[C:7](=[O:13])[N:12]([H:21])[C:8]([H:18])([H:19])[H:20])[H:17])[H:15]', inchi_key='NVLPMXSZBFAYOS-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091340', cmiles='[H:18][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:20])[c:9]([c:7]([c:5]([n:16]2)[H:22])[C:15]([H:33])([H:34])[H:35])[N:17]3[C:13]([C:11]([C:10]([C:12]([C:14]3([H:31])[H:32])([H:27])[H:28])([H:23])[H:24])([H:25])[H:26])([H:29])[H:30])[H:21])[H:19]', inchi_key='HXUVZFLYJPAPGA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091479', cmiles='[H:14][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:16])[O:13][C:9]([H:20])([H:21])[H:22])[C:7](=[O:11])[N:10]([H:23])[C:8]([H:17])([H:18])[H:19])[O:12][H:24])[H:15]', inchi_key='MYRXPRCEYHVWTF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091480', cmiles='[H:14][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:16])[O:13][C:9]([H:20])([H:21])[H:22])[C:7](=[O:11])[N:10]([H:23])[C:8]([H:17])([H:18])[H:19])[O:12][H:24])[H:15]', inchi_key='MYRXPRCEYHVWTF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091336', cmiles='[H:14][c:1]1[c:3]([c:4]([n:11][c:2]([n:10]1)[H:15])[N:12]2[C:8]([C:6]([C:5]([C:7]([C:9]2([H:24])[H:25])([H:20])[H:21])([H:16])[H:17])([H:18])[H:19])([H:22])[H:23])[Cl:13]', inchi_key='VNZFCHDSOXTMKC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091437', cmiles='[H:26][C@@:8]([C:2](=[O:12])[N:9]([H:27])[C:6]([H:22])([H:23])[H:24])([C:5]([H:19])([H:20])[H:21])[N:10]([H:28])[C:1](=[O:11])[C:7]([H:25])([C:3]([H:13])([H:14])[H:15])[C:4]([H:16])([H:17])[H:18]', inchi_key='PZLGTBHXTFHPCI-LURJTMIESA-N'), OptimizationResult(type='optimization', record_id='6091438', cmiles='[H:26][C@@:8]([C:2](=[O:12])[N:9]([H:27])[C:6]([H:22])([H:23])[H:24])([C:5]([H:19])([H:20])[H:21])[N:10]([H:28])[C:1](=[O:11])[C:7]([H:25])([C:3]([H:13])([H:14])[H:15])[C:4]([H:16])([H:17])[H:18]', inchi_key='PZLGTBHXTFHPCI-LURJTMIESA-N'), OptimizationResult(type='optimization', record_id='6091439', cmiles='[H:26][C@@:8]([C:2](=[O:12])[N:9]([H:27])[C:6]([H:22])([H:23])[H:24])([C:5]([H:19])([H:20])[H:21])[N:10]([H:28])[C:1](=[O:11])[C:7]([H:25])([C:3]([H:13])([H:14])[H:15])[C:4]([H:16])([H:17])[H:18]', inchi_key='PZLGTBHXTFHPCI-LURJTMIESA-N'), OptimizationResult(type='optimization', record_id='6091440', cmiles='[H:26][C@@:8]([C:2](=[O:12])[N:9]([H:27])[C:6]([H:22])([H:23])[H:24])([C:5]([H:19])([H:20])[H:21])[N:10]([H:28])[C:1](=[O:11])[C:7]([H:25])([C:3]([H:13])([H:14])[H:15])[C:4]([H:16])([H:17])[H:18]', inchi_key='PZLGTBHXTFHPCI-LURJTMIESA-N'), OptimizationResult(type='optimization', record_id='6091441', cmiles='[H:26][C@@:8]([C:2](=[O:12])[N:9]([H:27])[C:6]([H:22])([H:23])[H:24])([C:5]([H:19])([H:20])[H:21])[N:10]([H:28])[C:1](=[O:11])[C:7]([H:25])([C:3]([H:13])([H:14])[H:15])[C:4]([H:16])([H:17])[H:18]', inchi_key='PZLGTBHXTFHPCI-LURJTMIESA-N'), OptimizationResult(type='optimization', record_id='6091442', cmiles='[H:26][C@@:8]([C:2](=[O:12])[N:9]([H:27])[C:6]([H:22])([H:23])[H:24])([C:5]([H:19])([H:20])[H:21])[N:10]([H:28])[C:1](=[O:11])[C:7]([H:25])([C:3]([H:13])([H:14])[H:15])[C:4]([H:16])([H:17])[H:18]', inchi_key='PZLGTBHXTFHPCI-LURJTMIESA-N'), OptimizationResult(type='optimization', record_id='6091443', cmiles='[H:26][C@@:8]([C:2](=[O:12])[N:9]([H:27])[C:6]([H:22])([H:23])[H:24])([C:5]([H:19])([H:20])[H:21])[N:10]([H:28])[C:1](=[O:11])[C:7]([H:25])([C:3]([H:13])([H:14])[H:15])[C:4]([H:16])([H:17])[H:18]', inchi_key='PZLGTBHXTFHPCI-LURJTMIESA-N'), OptimizationResult(type='optimization', record_id='6091444', cmiles='[H:26][C@@:8]([C:2](=[O:12])[N:9]([H:27])[C:6]([H:22])([H:23])[H:24])([C:5]([H:19])([H:20])[H:21])[N:10]([H:28])[C:1](=[O:11])[C:7]([H:25])([C:3]([H:13])([H:14])[H:15])[C:4]([H:16])([H:17])[H:18]', inchi_key='PZLGTBHXTFHPCI-LURJTMIESA-N'), OptimizationResult(type='optimization', record_id='6091475', cmiles='[H:14][c:1]1[c:2]([c:3]([n:12]([n:11]1)[C:10]([H:28])([H:29])[H:30])[N:13]2[C:7]([C:5]([C:4]([C:6]([C:8]2([H:23])[H:24])([H:19])[H:20])([H:15])[H:16])([H:17])[H:18])([H:21])[H:22])[C:9]([H:25])([H:26])[H:27]', inchi_key='VAKNCKJSMAXZBW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091191', cmiles='[H:17][c:1]1[c:2]([c:4]([c:8]([c:5]([c:3]1[H:19])[H:21])[n:14]2[c:9]([c:6]([c:7]([n:13]2)[H:23])[H:22])[C:10](=[O:16])[N:15]([C:11]([H:24])([H:25])[H:26])[C:12]([H:27])([H:28])[H:29])[H:20])[H:18]', inchi_key='SMOKKLNBSOGYDU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091192', cmiles='[H:17][c:1]1[c:2]([c:4]([c:8]([c:5]([c:3]1[H:19])[H:21])[n:14]2[c:9]([c:6]([c:7]([n:13]2)[H:23])[H:22])[C:10](=[O:16])[N:15]([C:11]([H:24])([H:25])[H:26])[C:12]([H:27])([H:28])[H:29])[H:20])[H:18]', inchi_key='SMOKKLNBSOGYDU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091193', cmiles='[H:17][c:1]1[c:2]([c:4]([c:8]([c:5]([c:3]1[H:19])[H:21])[n:14]2[c:9]([c:6]([c:7]([n:13]2)[H:23])[H:22])[C:10](=[O:16])[N:15]([C:11]([H:24])([H:25])[H:26])[C:12]([H:27])([H:28])[H:29])[H:20])[H:18]', inchi_key='SMOKKLNBSOGYDU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091194', cmiles='[H:17][c:1]1[c:2]([c:4]([c:8]([c:5]([c:3]1[H:19])[H:21])[n:14]2[c:9]([c:6]([c:7]([n:13]2)[H:23])[H:22])[C:10](=[O:16])[N:15]([C:11]([H:24])([H:25])[H:26])[C:12]([H:27])([H:28])[H:29])[H:20])[H:18]', inchi_key='SMOKKLNBSOGYDU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091467', cmiles='[H:17][c:1]1[c:3]([c:7]([n:13][c:9]([c:5]1[H:21])[N:15]([c:10]2[c:6]([c:2]([c:4]([c:8]([n:14]2)[H:24])[H:20])[H:18])[H:22])[C:11](=[O:16])[C:12]([H:25])([H:26])[H:27])[H:23])[H:19]', inchi_key='STONUJDBYXVEBD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091468', cmiles='[H:17][c:1]1[c:3]([c:7]([n:13][c:9]([c:5]1[H:21])[N:15]([c:10]2[c:6]([c:2]([c:4]([c:8]([n:14]2)[H:24])[H:20])[H:18])[H:22])[C:11](=[O:16])[C:12]([H:25])([H:26])[H:27])[H:23])[H:19]', inchi_key='STONUJDBYXVEBD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091469', cmiles='[H:17][c:1]1[c:3]([c:7]([n:13][c:9]([c:5]1[H:21])[N:15]([c:10]2[c:6]([c:2]([c:4]([c:8]([n:14]2)[H:24])[H:20])[H:18])[H:22])[C:11](=[O:16])[C:12]([H:25])([H:26])[H:27])[H:23])[H:19]', inchi_key='STONUJDBYXVEBD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091470', cmiles='[H:17][c:1]1[c:3]([c:7]([n:13][c:9]([c:5]1[H:21])[N:15]([c:10]2[c:6]([c:2]([c:4]([c:8]([n:14]2)[H:24])[H:20])[H:18])[H:22])[C:11](=[O:16])[C:12]([H:25])([H:26])[H:27])[H:23])[H:19]', inchi_key='STONUJDBYXVEBD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091471', cmiles='[H:17][c:1]1[c:3]([c:7]([n:13][c:9]([c:5]1[H:21])[N:15]([c:10]2[c:6]([c:2]([c:4]([c:8]([n:14]2)[H:24])[H:20])[H:18])[H:22])[C:11](=[O:16])[C:12]([H:25])([H:26])[H:27])[H:23])[H:19]', inchi_key='STONUJDBYXVEBD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091472', cmiles='[H:17][c:1]1[c:3]([c:7]([n:13][c:9]([c:5]1[H:21])[N:15]([c:10]2[c:6]([c:2]([c:4]([c:8]([n:14]2)[H:24])[H:20])[H:18])[H:22])[C:11](=[O:16])[C:12]([H:25])([H:26])[H:27])[H:23])[H:19]', inchi_key='STONUJDBYXVEBD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091378', cmiles='[H:24][C@@:7]([C:2](=[O:11])[N:9]([C:5]([H:18])([H:19])[H:20])[C:6]([H:21])([H:22])[H:23])([C:4]([H:15])([H:16])[H:17])[N:8]([H:25])[C:1](=[O:10])[C:3]([H:12])([H:13])[H:14]', inchi_key='RTLKLCHUVKNOPB-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091379', cmiles='[H:24][C@@:7]([C:2](=[O:11])[N:9]([C:5]([H:18])([H:19])[H:20])[C:6]([H:21])([H:22])[H:23])([C:4]([H:15])([H:16])[H:17])[N:8]([H:25])[C:1](=[O:10])[C:3]([H:12])([H:13])[H:14]', inchi_key='RTLKLCHUVKNOPB-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091380', cmiles='[H:24][C@@:7]([C:2](=[O:11])[N:9]([C:5]([H:18])([H:19])[H:20])[C:6]([H:21])([H:22])[H:23])([C:4]([H:15])([H:16])[H:17])[N:8]([H:25])[C:1](=[O:10])[C:3]([H:12])([H:13])[H:14]', inchi_key='RTLKLCHUVKNOPB-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091381', cmiles='[H:24][C@@:7]([C:2](=[O:11])[N:9]([C:5]([H:18])([H:19])[H:20])[C:6]([H:21])([H:22])[H:23])([C:4]([H:15])([H:16])[H:17])[N:8]([H:25])[C:1](=[O:10])[C:3]([H:12])([H:13])[H:14]', inchi_key='RTLKLCHUVKNOPB-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091382', cmiles='[H:24][C@@:7]([C:2](=[O:11])[N:9]([C:5]([H:18])([H:19])[H:20])[C:6]([H:21])([H:22])[H:23])([C:4]([H:15])([H:16])[H:17])[N:8]([H:25])[C:1](=[O:10])[C:3]([H:12])([H:13])[H:14]', inchi_key='RTLKLCHUVKNOPB-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091383', cmiles='[H:24][C@@:7]([C:2](=[O:11])[N:9]([C:5]([H:18])([H:19])[H:20])[C:6]([H:21])([H:22])[H:23])([C:4]([H:15])([H:16])[H:17])[N:8]([H:25])[C:1](=[O:10])[C:3]([H:12])([H:13])[H:14]', inchi_key='RTLKLCHUVKNOPB-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091239', cmiles='[H:15][C:2]1([C:4]([N:12]([C:5]([C:3]([N:11]1[C:8]([H:29])([H:30])[H:31])([H:17])[H:18])([H:21])[H:22])[C:9]([H:32])([H:33])[C@@:10]([H:34])([C:7]([H:26])([H:27])[H:28])[N:13]([H:35])[C:1](=[O:14])[C:6]([H:23])([H:24])[H:25])([H:19])[H:20])[H:16]', inchi_key='ZZGJGLCJHBCFTH-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='6091240', cmiles='[H:15][C:2]1([C:4]([N:12]([C:5]([C:3]([N:11]1[C:8]([H:29])([H:30])[H:31])([H:17])[H:18])([H:21])[H:22])[C:9]([H:32])([H:33])[C@@:10]([H:34])([C:7]([H:26])([H:27])[H:28])[N:13]([H:35])[C:1](=[O:14])[C:6]([H:23])([H:24])[H:25])([H:19])[H:20])[H:16]', inchi_key='ZZGJGLCJHBCFTH-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='6091241', cmiles='[H:15][C:2]1([C:4]([N:12]([C:5]([C:3]([N:11]1[C:8]([H:29])([H:30])[H:31])([H:17])[H:18])([H:21])[H:22])[C:9]([H:32])([H:33])[C@@:10]([H:34])([C:7]([H:26])([H:27])[H:28])[N:13]([H:35])[C:1](=[O:14])[C:6]([H:23])([H:24])[H:25])([H:19])[H:20])[H:16]', inchi_key='ZZGJGLCJHBCFTH-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='6091242', cmiles='[H:15][C:2]1([C:4]([N:12]([C:5]([C:3]([N:11]1[C:8]([H:29])([H:30])[H:31])([H:17])[H:18])([H:21])[H:22])[C:9]([H:32])([H:33])[C@@:10]([H:34])([C:7]([H:26])([H:27])[H:28])[N:13]([H:35])[C:1](=[O:14])[C:6]([H:23])([H:24])[H:25])([H:19])[H:20])[H:16]', inchi_key='ZZGJGLCJHBCFTH-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='6091243', cmiles='[H:15][C:2]1([C:4]([N:12]([C:5]([C:3]([N:11]1[C:8]([H:29])([H:30])[H:31])([H:17])[H:18])([H:21])[H:22])[C:9]([H:32])([H:33])[C@@:10]([H:34])([C:7]([H:26])([H:27])[H:28])[N:13]([H:35])[C:1](=[O:14])[C:6]([H:23])([H:24])[H:25])([H:19])[H:20])[H:16]', inchi_key='ZZGJGLCJHBCFTH-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='6091244', cmiles='[H:15][C:2]1([C:4]([N:12]([C:5]([C:3]([N:11]1[C:8]([H:29])([H:30])[H:31])([H:17])[H:18])([H:21])[H:22])[C:9]([H:32])([H:33])[C@@:10]([H:34])([C:7]([H:26])([H:27])[H:28])[N:13]([H:35])[C:1](=[O:14])[C:6]([H:23])([H:24])[H:25])([H:19])[H:20])[H:16]', inchi_key='ZZGJGLCJHBCFTH-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='6091245', cmiles='[H:15][C:2]1([C:4]([N:12]([C:5]([C:3]([N:11]1[C:8]([H:29])([H:30])[H:31])([H:17])[H:18])([H:21])[H:22])[C:9]([H:32])([H:33])[C@@:10]([H:34])([C:7]([H:26])([H:27])[H:28])[N:13]([H:35])[C:1](=[O:14])[C:6]([H:23])([H:24])[H:25])([H:19])[H:20])[H:16]', inchi_key='ZZGJGLCJHBCFTH-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='6091424', cmiles='[H:32][C@:10]1([C:4]([C:2]([C:3]([C:5]([N:12]1[H:36])([H:22])[H:23])([H:18])[H:19])([H:16])[H:17])([H:20])[H:21])[C:1](=[O:15])[N:13]2[C:6]([C:8]([N:14]([C:9]([C:7]2([H:26])[H:27])([H:30])[H:31])[C:11]([H:33])([H:34])[H:35])([H:28])[H:29])([H:24])[H:25]', inchi_key='FYWRPAOGEFKWIK-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091425', cmiles='[H:32][C@:10]1([C:4]([C:2]([C:3]([C:5]([N:12]1[H:36])([H:22])[H:23])([H:18])[H:19])([H:16])[H:17])([H:20])[H:21])[C:1](=[O:15])[N:13]2[C:6]([C:8]([N:14]([C:9]([C:7]2([H:26])[H:27])([H:30])[H:31])[C:11]([H:33])([H:34])[H:35])([H:28])[H:29])([H:24])[H:25]', inchi_key='FYWRPAOGEFKWIK-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091426', cmiles='[H:32][C@:10]1([C:4]([C:2]([C:3]([C:5]([N:12]1[H:36])([H:22])[H:23])([H:18])[H:19])([H:16])[H:17])([H:20])[H:21])[C:1](=[O:15])[N:13]2[C:6]([C:8]([N:14]([C:9]([C:7]2([H:26])[H:27])([H:30])[H:31])[C:11]([H:33])([H:34])[H:35])([H:28])[H:29])([H:24])[H:25]', inchi_key='FYWRPAOGEFKWIK-JTQLQIEISA-N'), OptimizationResult(type='optimization', record_id='6091398', cmiles='[H:18][c:1]1[c:2]([c:4]([n:13]([c:5](=[O:16])[c:3]1[H:20])[C:12]([H:33])([H:34])[C:6](=[O:17])[N:14]2[C:7]([C:9]([N:15]([C:10]([C:8]2([H:24])[H:25])([H:28])[H:29])[C:11]([H:30])([H:31])[H:32])([H:26])[H:27])([H:22])[H:23])[H:21])[H:19]', inchi_key='KPORSZBRYZBEKC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091399', cmiles='[H:18][c:1]1[c:2]([c:4]([n:13]([c:5](=[O:16])[c:3]1[H:20])[C:12]([H:33])([H:34])[C:6](=[O:17])[N:14]2[C:7]([C:9]([N:15]([C:10]([C:8]2([H:24])[H:25])([H:28])[H:29])[C:11]([H:30])([H:31])[H:32])([H:26])[H:27])([H:22])[H:23])[H:21])[H:19]', inchi_key='KPORSZBRYZBEKC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091400', cmiles='[H:18][c:1]1[c:2]([c:4]([n:13]([c:5](=[O:16])[c:3]1[H:20])[C:12]([H:33])([H:34])[C:6](=[O:17])[N:14]2[C:7]([C:9]([N:15]([C:10]([C:8]2([H:24])[H:25])([H:28])[H:29])[C:11]([H:30])([H:31])[H:32])([H:26])[H:27])([H:22])[H:23])[H:21])[H:19]', inchi_key='KPORSZBRYZBEKC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091401', cmiles='[H:18][c:1]1[c:2]([c:4]([n:13]([c:5](=[O:16])[c:3]1[H:20])[C:12]([H:33])([H:34])[C:6](=[O:17])[N:14]2[C:7]([C:9]([N:15]([C:10]([C:8]2([H:24])[H:25])([H:28])[H:29])[C:11]([H:30])([H:31])[H:32])([H:26])[H:27])([H:22])[H:23])[H:21])[H:19]', inchi_key='KPORSZBRYZBEKC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091402', cmiles='[H:18][c:1]1[c:2]([c:4]([n:13]([c:5](=[O:16])[c:3]1[H:20])[C:12]([H:33])([H:34])[C:6](=[O:17])[N:14]2[C:7]([C:9]([N:15]([C:10]([C:8]2([H:24])[H:25])([H:28])[H:29])[C:11]([H:30])([H:31])[H:32])([H:26])[H:27])([H:22])[H:23])[H:21])[H:19]', inchi_key='KPORSZBRYZBEKC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091403', cmiles='[H:18][c:1]1[c:2]([c:4]([n:13]([c:5](=[O:16])[c:3]1[H:20])[C:12]([H:33])([H:34])[C:6](=[O:17])[N:14]2[C:7]([C:9]([N:15]([C:10]([C:8]2([H:24])[H:25])([H:28])[H:29])[C:11]([H:30])([H:31])[H:32])([H:26])[H:27])([H:22])[H:23])[H:21])[H:19]', inchi_key='KPORSZBRYZBEKC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091404', cmiles='[H:18][c:1]1[c:2]([c:4]([n:13]([c:5](=[O:16])[c:3]1[H:20])[C:12]([H:33])([H:34])[C:6](=[O:17])[N:14]2[C:7]([C:9]([N:15]([C:10]([C:8]2([H:24])[H:25])([H:28])[H:29])[C:11]([H:30])([H:31])[H:32])([H:26])[H:27])([H:22])[H:23])[H:21])[H:19]', inchi_key='KPORSZBRYZBEKC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091405', cmiles='[H:18][c:1]1[c:2]([c:4]([n:13]([c:5](=[O:16])[c:3]1[H:20])[C:12]([H:33])([H:34])[C:6](=[O:17])[N:14]2[C:7]([C:9]([N:15]([C:10]([C:8]2([H:24])[H:25])([H:28])[H:29])[C:11]([H:30])([H:31])[H:32])([H:26])[H:27])([H:22])[H:23])[H:21])[H:19]', inchi_key='KPORSZBRYZBEKC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091406', cmiles='[H:18][c:1]1[c:2]([c:4]([n:13]([c:5](=[O:16])[c:3]1[H:20])[C:12]([H:33])([H:34])[C:6](=[O:17])[N:14]2[C:7]([C:9]([N:15]([C:10]([C:8]2([H:24])[H:25])([H:28])[H:29])[C:11]([H:30])([H:31])[H:32])([H:26])[H:27])([H:22])[H:23])[H:21])[H:19]', inchi_key='KPORSZBRYZBEKC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091465', cmiles='[H:22][C:5]1([C@:10]2([C:6]([C:4]([C:7]([N:13]2[C:1](=[O:15])[C:11]([H:32])([H:33])[H:34])([H:26])[H:27])([H:20])[H:21])([H:24])[H:25])[C:9]([N@:14]([C:8]([C:3]([C:2]1([H:16])[H:17])([H:18])[H:19])([H:28])[H:29])[C:12]([H:35])([H:36])[H:37])([H:30])[H:31])[H:23]', inchi_key='YLEOTUOSOXAYQY-LBPRGKRZSA-N'), OptimizationResult(type='optimization', record_id='6091435', cmiles='[H:17][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:19])[c:9](=[O:15])[c:7]([c:5]([n:13]2[C:11]([H:22])([H:23])[H:24])[H:21])[C:10](=[O:16])[N:14]([H:28])[C:12]([H:25])([H:26])[H:27])[H:20])[H:18]', inchi_key='YMPPSNXXEOIRQU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091436', cmiles='[H:17][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:19])[c:9](=[O:15])[c:7]([c:5]([n:13]2[C:11]([H:22])([H:23])[H:24])[H:21])[C:10](=[O:16])[N:14]([H:28])[C:12]([H:25])([H:26])[H:27])[H:20])[H:18]', inchi_key='YMPPSNXXEOIRQU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091197', cmiles='[H:15][c:1]1[c:2]([n:11][c:4]([n:12][c:3]1[H:17])[N:14]([H:30])[C:9]2([C:5]([C:7]([N:13]([C:8]([C:6]2([H:20])[H:21])([H:24])[H:25])[C:10]([H:27])([H:28])[H:29])([H:22])[H:23])([H:18])[H:19])[H:26])[H:16]', inchi_key='QHWGRLHMSVAKKY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091198', cmiles='[H:15][c:1]1[c:2]([n:11][c:4]([n:12][c:3]1[H:17])[N:14]([H:30])[C:9]2([C:5]([C:7]([N:13]([C:8]([C:6]2([H:20])[H:21])([H:24])[H:25])[C:10]([H:27])([H:28])[H:29])([H:22])[H:23])([H:18])[H:19])[H:26])[H:16]', inchi_key='QHWGRLHMSVAKKY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091199', cmiles='[H:15][c:1]1[c:2]([n:11][c:4]([n:12][c:3]1[H:17])[N:14]([H:30])[C:9]2([C:5]([C:7]([N:13]([C:8]([C:6]2([H:20])[H:21])([H:24])[H:25])[C:10]([H:27])([H:28])[H:29])([H:22])[H:23])([H:18])[H:19])[H:26])[H:16]', inchi_key='QHWGRLHMSVAKKY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091478', cmiles='[H:19][C:4]1([c:1]2[c:2]([n:14][c:3]([n:15]2[C:11]([H:33])([H:34])[H:35])[N:17]3[C:8]([C:6]([C:5]([C:7]([C:9]3([H:29])[H:30])([H:25])[H:26])([H:21])[H:22])([H:23])[H:24])([H:27])[H:28])[N@:16]([C:10]([N@:18]1[C:13]([H:39])([H:40])[H:41])([H:31])[H:32])[C:12]([H:36])([H:37])[H:38])[H:20]', inchi_key='OSSJJLWWCLBELJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091448', cmiles='[H:13][c:1]1[c:2]([n:9][c:4]([c:3]([n:8]1)[C:5](=[O:12])[N:11]([H:22])[C:7]([H:18])([H:19])[H:20])[N:10]([H:21])[C:6]([H:15])([H:16])[H:17])[H:14]', inchi_key='QLMDNUNMUMHIAO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091449', cmiles='[H:13][c:1]1[c:2]([n:9][c:4]([c:3]([n:8]1)[C:5](=[O:12])[N:11]([H:22])[C:7]([H:18])([H:19])[H:20])[N:10]([H:21])[C:6]([H:15])([H:16])[H:17])[H:14]', inchi_key='QLMDNUNMUMHIAO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091362', cmiles='[H:15][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:17])[H:19])[O:14][C:11]([H:24])([H:25])[C:9]2=[N:12][C:10]([C:7](=[C:8]([N:13]2[H:26])[H:21])[H:20])([H:22])[H:23])[H:18])[H:16]', inchi_key='ANXGEYRLDAILTH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091363', cmiles='[H:15][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:17])[H:19])[O:14][C:11]([H:24])([H:25])[C:9]2=[N:12][C:10]([C:7](=[C:8]([N:13]2[H:26])[H:21])[H:20])([H:22])[H:23])[H:18])[H:16]', inchi_key='ANXGEYRLDAILTH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091364', cmiles='[H:15][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:17])[H:19])[O:14][C:11]([H:24])([H:25])[C:9]2=[N:12][C:10]([C:7](=[C:8]([N:13]2[H:26])[H:21])[H:20])([H:22])[H:23])[H:18])[H:16]', inchi_key='ANXGEYRLDAILTH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091201', cmiles='[H:18][c:1]1[c:2]([c:6]([c:10]2[c:9]([c:5]1[H:22])[C@:14]([C:12]([C:13]([O:17]2)([H:28])[H:29])([H:26])[H:27])([H:30])[N:16]([H:31])[c:11]3[c:7]([c:3]([c:4]([c:8]([n:15]3)[H:25])[H:21])[H:20])[H:24])[H:23])[H:19]', inchi_key='MYKMQNNSQCAQMH-GFCCVEGCSA-N'), OptimizationResult(type='optimization', record_id='6091202', cmiles='[H:18][c:1]1[c:2]([c:6]([c:10]2[c:9]([c:5]1[H:22])[C@:14]([C:12]([C:13]([O:17]2)([H:28])[H:29])([H:26])[H:27])([H:30])[N:16]([H:31])[c:11]3[c:7]([c:3]([c:4]([c:8]([n:15]3)[H:25])[H:21])[H:20])[H:24])[H:23])[H:19]', inchi_key='MYKMQNNSQCAQMH-GFCCVEGCSA-N'), OptimizationResult(type='optimization', record_id='6091203', cmiles='[H:18][c:1]1[c:2]([c:6]([c:10]2[c:9]([c:5]1[H:22])[C@:14]([C:12]([C:13]([O:17]2)([H:28])[H:29])([H:26])[H:27])([H:30])[N:16]([H:31])[c:11]3[c:7]([c:3]([c:4]([c:8]([n:15]3)[H:25])[H:21])[H:20])[H:24])[H:23])[H:19]', inchi_key='MYKMQNNSQCAQMH-GFCCVEGCSA-N'), OptimizationResult(type='optimization', record_id='6091204', cmiles='[H:18][c:1]1[c:2]([c:6]([c:10]2[c:9]([c:5]1[H:22])[C@:14]([C:12]([C:13]([O:17]2)([H:28])[H:29])([H:26])[H:27])([H:30])[N:16]([H:31])[c:11]3[c:7]([c:3]([c:4]([c:8]([n:15]3)[H:25])[H:21])[H:20])[H:24])[H:23])[H:19]', inchi_key='MYKMQNNSQCAQMH-GFCCVEGCSA-N'), OptimizationResult(type='optimization', record_id='6091205', cmiles='[H:18][c:1]1[c:2]([c:6]([c:10]2[c:9]([c:5]1[H:22])[C@:14]([C:12]([C:13]([O:17]2)([H:28])[H:29])([H:26])[H:27])([H:30])[N:16]([H:31])[c:11]3[c:7]([c:3]([c:4]([c:8]([n:15]3)[H:25])[H:21])[H:20])[H:24])[H:23])[H:19]', inchi_key='MYKMQNNSQCAQMH-GFCCVEGCSA-N'), OptimizationResult(type='optimization', record_id='6091206', cmiles='[H:18][c:1]1[c:2]([c:6]([c:10]2[c:9]([c:5]1[H:22])[C@:14]([C:12]([C:13]([O:17]2)([H:28])[H:29])([H:26])[H:27])([H:30])[N:16]([H:31])[c:11]3[c:7]([c:3]([c:4]([c:8]([n:15]3)[H:25])[H:21])[H:20])[H:24])[H:23])[H:19]', inchi_key='MYKMQNNSQCAQMH-GFCCVEGCSA-N'), OptimizationResult(type='optimization', record_id='6091476', cmiles='[H:19][C:4]1([c:1]2[c:2]([n:13][c:3]([n:14]2[C:10]([H:31])([H:32])[H:33])[N:17]3[C:5]([C:7]([N:18]([C:8]([C:6]3([H:23])[H:24])([H:27])[H:28])[C:12]([H:37])([H:38])[H:39])([H:25])[H:26])([H:21])[H:22])[N@:16]([C:9]([N:15]1[H:40])([H:29])[H:30])[C:11]([H:34])([H:35])[H:36])[H:20]', inchi_key='PURNRQYQUQNZQQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091477', cmiles='[H:19][C:4]1([c:1]2[c:2]([n:13][c:3]([n:14]2[C:10]([H:31])([H:32])[H:33])[N:17]3[C:5]([C:7]([N:18]([C:8]([C:6]3([H:23])[H:24])([H:27])[H:28])[C:12]([H:37])([H:38])[H:39])([H:25])[H:26])([H:21])[H:22])[N@:16]([C:9]([N:15]1[H:40])([H:29])[H:30])[C:11]([H:34])([H:35])[H:36])[H:20]', inchi_key='PURNRQYQUQNZQQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091177', cmiles='[H:14][c:1]1[c:2]([n:11][n:12][c:4]([c:3]1[C:9]([H:23])([H:24])[H:25])[N@@:13]2[C@:8]([C:6]([C:5]([C:7]2([H:20])[H:21])([H:16])[H:17])([H:18])[H:19])([H:22])[C:10]([H:26])([H:27])[H:28])[H:15]', inchi_key='NJFJCISIVGIFFH-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='6091178', cmiles='[H:14][c:1]1[c:2]([n:11][n:12][c:4]([c:3]1[C:9]([H:23])([H:24])[H:25])[N@@:13]2[C@:8]([C:6]([C:5]([C:7]2([H:20])[H:21])([H:16])[H:17])([H:18])[H:19])([H:22])[C:10]([H:26])([H:27])[H:28])[H:15]', inchi_key='NJFJCISIVGIFFH-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='6091369', cmiles='[H:14][c:1]1[c:2]([c:4]([c:8]([c:7]([c:3]1[H:16])[c:9]2[n:11][c:5]([c:6]([n:12]2[H:23])[H:19])[H:18])[O:13][C:10]([H:20])([H:21])[H:22])[H:17])[H:15]', inchi_key='JVCBVNUOEFLXGK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091200', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[n:14]2[c:7]([n:12][n:13][c:8]2[C:10]([H:23])([H:24])[H:25])[C:9]([H:20])([H:21])[H:22])[O:15][C:11]([H:26])([H:27])[H:28])[H:19])[H:17]', inchi_key='OVVNZUVQGVTDRA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091285', cmiles='[H:14][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:16])[H:18])[C@@:10]([H:24])([C:9]([H:22])([H:23])[N:11]([H:25])[C:7](=[O:12])[C:8]([H:19])([H:20])[H:21])[O:13][H:26])[H:17])[H:15]', inchi_key='KJCJYQYRPOJUKJ-SNVBAGLBSA-N'), OptimizationResult(type='optimization', record_id='6091286', cmiles='[H:14][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:16])[H:18])[C@@:10]([H:24])([C:9]([H:22])([H:23])[N:11]([H:25])[C:7](=[O:12])[C:8]([H:19])([H:20])[H:21])[O:13][H:26])[H:17])[H:15]', inchi_key='KJCJYQYRPOJUKJ-SNVBAGLBSA-N'), OptimizationResult(type='optimization', record_id='6091287', cmiles='[H:14][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:16])[H:18])[C@@:10]([H:24])([C:9]([H:22])([H:23])[N:11]([H:25])[C:7](=[O:12])[C:8]([H:19])([H:20])[H:21])[O:13][H:26])[H:17])[H:15]', inchi_key='KJCJYQYRPOJUKJ-SNVBAGLBSA-N'), OptimizationResult(type='optimization', record_id='6091288', cmiles='[H:14][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:16])[H:18])[C@@:10]([H:24])([C:9]([H:22])([H:23])[N:11]([H:25])[C:7](=[O:12])[C:8]([H:19])([H:20])[H:21])[O:13][H:26])[H:17])[H:15]', inchi_key='KJCJYQYRPOJUKJ-SNVBAGLBSA-N'), OptimizationResult(type='optimization', record_id='6091289', cmiles='[H:14][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:16])[H:18])[C@@:10]([H:24])([C:9]([H:22])([H:23])[N:11]([H:25])[C:7](=[O:12])[C:8]([H:19])([H:20])[H:21])[O:13][H:26])[H:17])[H:15]', inchi_key='KJCJYQYRPOJUKJ-SNVBAGLBSA-N'), OptimizationResult(type='optimization', record_id='6091290', cmiles='[H:14][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:16])[H:18])[C@@:10]([H:24])([C:9]([H:22])([H:23])[N:11]([H:25])[C:7](=[O:12])[C:8]([H:19])([H:20])[H:21])[O:13][H:26])[H:17])[H:15]', inchi_key='KJCJYQYRPOJUKJ-SNVBAGLBSA-N'), OptimizationResult(type='optimization', record_id='6091291', cmiles='[H:14][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:16])[H:18])[C@@:10]([H:24])([C:9]([H:22])([H:23])[N:11]([H:25])[C:7](=[O:12])[C:8]([H:19])([H:20])[H:21])[O:13][H:26])[H:17])[H:15]', inchi_key='KJCJYQYRPOJUKJ-SNVBAGLBSA-N'), OptimizationResult(type='optimization', record_id='6091292', cmiles='[H:14][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:16])[H:18])[C@@:10]([H:24])([C:9]([H:22])([H:23])[N:11]([H:25])[C:7](=[O:12])[C:8]([H:19])([H:20])[H:21])[O:13][H:26])[H:17])[H:15]', inchi_key='KJCJYQYRPOJUKJ-SNVBAGLBSA-N'), OptimizationResult(type='optimization', record_id='6091293', cmiles='[H:14][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:16])[H:18])[C@@:10]([H:24])([C:9]([H:22])([H:23])[N:11]([H:25])[C:7](=[O:12])[C:8]([H:19])([H:20])[H:21])[O:13][H:26])[H:17])[H:15]', inchi_key='KJCJYQYRPOJUKJ-SNVBAGLBSA-N'), OptimizationResult(type='optimization', record_id='6091306', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[C@@:10]([H:26])([C@@:11]([H:27])([C:9]([H:24])([H:25])[O:14][H:29])[N:12]([H:28])[C:7](=[O:13])[C:8]([H:21])([H:22])[H:23])[O:15][H:30])[H:19])[H:17]', inchi_key='CCTYSLWJSAHBMD-MNOVXSKESA-N'), OptimizationResult(type='optimization', record_id='6091307', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[C@@:10]([H:26])([C@@:11]([H:27])([C:9]([H:24])([H:25])[O:14][H:29])[N:12]([H:28])[C:7](=[O:13])[C:8]([H:21])([H:22])[H:23])[O:15][H:30])[H:19])[H:17]', inchi_key='CCTYSLWJSAHBMD-MNOVXSKESA-N'), OptimizationResult(type='optimization', record_id='6091308', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[C@@:10]([H:26])([C@@:11]([H:27])([C:9]([H:24])([H:25])[O:14][H:29])[N:12]([H:28])[C:7](=[O:13])[C:8]([H:21])([H:22])[H:23])[O:15][H:30])[H:19])[H:17]', inchi_key='CCTYSLWJSAHBMD-MNOVXSKESA-N'), OptimizationResult(type='optimization', record_id='6091309', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[C@@:10]([H:26])([C@@:11]([H:27])([C:9]([H:24])([H:25])[O:14][H:29])[N:12]([H:28])[C:7](=[O:13])[C:8]([H:21])([H:22])[H:23])[O:15][H:30])[H:19])[H:17]', inchi_key='CCTYSLWJSAHBMD-MNOVXSKESA-N'), OptimizationResult(type='optimization', record_id='6091310', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[C@@:10]([H:26])([C@@:11]([H:27])([C:9]([H:24])([H:25])[O:14][H:29])[N:12]([H:28])[C:7](=[O:13])[C:8]([H:21])([H:22])[H:23])[O:15][H:30])[H:19])[H:17]', inchi_key='CCTYSLWJSAHBMD-MNOVXSKESA-N'), OptimizationResult(type='optimization', record_id='6091311', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[C@@:10]([H:26])([C@@:11]([H:27])([C:9]([H:24])([H:25])[O:14][H:29])[N:12]([H:28])[C:7](=[O:13])[C:8]([H:21])([H:22])[H:23])[O:15][H:30])[H:19])[H:17]', inchi_key='CCTYSLWJSAHBMD-MNOVXSKESA-N'), OptimizationResult(type='optimization', record_id='6091312', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[C@@:10]([H:26])([C@@:11]([H:27])([C:9]([H:24])([H:25])[O:14][H:29])[N:12]([H:28])[C:7](=[O:13])[C:8]([H:21])([H:22])[H:23])[O:15][H:30])[H:19])[H:17]', inchi_key='CCTYSLWJSAHBMD-MNOVXSKESA-N'), OptimizationResult(type='optimization', record_id='6091313', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[C@@:10]([H:26])([C@@:11]([H:27])([C:9]([H:24])([H:25])[O:14][H:29])[N:12]([H:28])[C:7](=[O:13])[C:8]([H:21])([H:22])[H:23])[O:15][H:30])[H:19])[H:17]', inchi_key='CCTYSLWJSAHBMD-MNOVXSKESA-N'), OptimizationResult(type='optimization', record_id='6091314', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[C@@:10]([H:26])([C@@:11]([H:27])([C:9]([H:24])([H:25])[O:14][H:29])[N:12]([H:28])[C:7](=[O:13])[C:8]([H:21])([H:22])[H:23])[O:15][H:30])[H:19])[H:17]', inchi_key='CCTYSLWJSAHBMD-MNOVXSKESA-N'), OptimizationResult(type='optimization', record_id='6091315', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[C@@:10]([H:26])([C@@:11]([H:27])([C:9]([H:24])([H:25])[O:14][H:29])[N:12]([H:28])[C:7](=[O:13])[C:8]([H:21])([H:22])[H:23])[O:15][H:30])[H:19])[H:17]', inchi_key='CCTYSLWJSAHBMD-MNOVXSKESA-N'), OptimizationResult(type='optimization', record_id='6091316', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[C@@:10]([H:26])([C@@:11]([H:27])([C:9]([H:24])([H:25])[O:14][H:29])[N:12]([H:28])[C:7](=[O:13])[C:8]([H:21])([H:22])[H:23])[O:15][H:30])[H:19])[H:17]', inchi_key='CCTYSLWJSAHBMD-MNOVXSKESA-N'), OptimizationResult(type='optimization', record_id='6091317', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[C@@:10]([H:26])([C@@:11]([H:27])([C:9]([H:24])([H:25])[O:14][H:29])[N:12]([H:28])[C:7](=[O:13])[C:8]([H:21])([H:22])[H:23])[O:15][H:30])[H:19])[H:17]', inchi_key='CCTYSLWJSAHBMD-MNOVXSKESA-N'), OptimizationResult(type='optimization', record_id='6091318', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[C@@:10]([H:26])([C@@:11]([H:27])([C:9]([H:24])([H:25])[O:14][H:29])[N:12]([H:28])[C:7](=[O:13])[C:8]([H:21])([H:22])[H:23])[O:15][H:30])[H:19])[H:17]', inchi_key='CCTYSLWJSAHBMD-MNOVXSKESA-N'), OptimizationResult(type='optimization', record_id='6091319', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[C@@:10]([H:26])([C@@:11]([H:27])([C:9]([H:24])([H:25])[O:14][H:29])[N:12]([H:28])[C:7](=[O:13])[C:8]([H:21])([H:22])[H:23])[O:15][H:30])[H:19])[H:17]', inchi_key='CCTYSLWJSAHBMD-MNOVXSKESA-N'), OptimizationResult(type='optimization', record_id='6091320', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[C@@:10]([H:26])([C@@:11]([H:27])([C:9]([H:24])([H:25])[O:14][H:29])[N:12]([H:28])[C:7](=[O:13])[C:8]([H:21])([H:22])[H:23])[O:15][H:30])[H:19])[H:17]', inchi_key='CCTYSLWJSAHBMD-MNOVXSKESA-N'), OptimizationResult(type='optimization', record_id='6091321', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[C@@:10]([H:26])([C@@:11]([H:27])([C:9]([H:24])([H:25])[O:14][H:29])[N:12]([H:28])[C:7](=[O:13])[C:8]([H:21])([H:22])[H:23])[O:15][H:30])[H:19])[H:17]', inchi_key='CCTYSLWJSAHBMD-MNOVXSKESA-N'), OptimizationResult(type='optimization', record_id='6091322', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[C@@:10]([H:26])([C@@:11]([H:27])([C:9]([H:24])([H:25])[O:14][H:29])[N:12]([H:28])[C:7](=[O:13])[C:8]([H:21])([H:22])[H:23])[O:15][H:30])[H:19])[H:17]', inchi_key='CCTYSLWJSAHBMD-MNOVXSKESA-N'), OptimizationResult(type='optimization', record_id='6091323', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[C@@:10]([H:26])([C@@:11]([H:27])([C:9]([H:24])([H:25])[O:14][H:29])[N:12]([H:28])[C:7](=[O:13])[C:8]([H:21])([H:22])[H:23])[O:15][H:30])[H:19])[H:17]', inchi_key='CCTYSLWJSAHBMD-MNOVXSKESA-N'), OptimizationResult(type='optimization', record_id='6091265', cmiles='[H:19][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:21])[N:15]2[C:9](=[O:16])[C:7]3=[C:8]([C:10]2=[O:17])[C:12]([C:14]([C:13]([C:11]3([H:23])[H:24])([H:27])[H:28])([H:29])[H:30])([H:25])[H:26])[F:18])[H:22])[H:20]', inchi_key='PINAKBXFAZUJBZ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091249', cmiles='[H:25][C@@:7]([C:2](=[O:11])[N:9]([C:5]([H:19])([H:20])[H:21])[O:12][C:6]([H:22])([H:23])[H:24])([C:4]([H:16])([H:17])[H:18])[N:8]([H:26])[C:1](=[O:10])[C:3]([H:13])([H:14])[H:15]', inchi_key='RHVOGIHWWMMHOM-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091250', cmiles='[H:25][C@@:7]([C:2](=[O:11])[N:9]([C:5]([H:19])([H:20])[H:21])[O:12][C:6]([H:22])([H:23])[H:24])([C:4]([H:16])([H:17])[H:18])[N:8]([H:26])[C:1](=[O:10])[C:3]([H:13])([H:14])[H:15]', inchi_key='RHVOGIHWWMMHOM-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091251', cmiles='[H:25][C@@:7]([C:2](=[O:11])[N:9]([C:5]([H:19])([H:20])[H:21])[O:12][C:6]([H:22])([H:23])[H:24])([C:4]([H:16])([H:17])[H:18])[N:8]([H:26])[C:1](=[O:10])[C:3]([H:13])([H:14])[H:15]', inchi_key='RHVOGIHWWMMHOM-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091252', cmiles='[H:25][C@@:7]([C:2](=[O:11])[N:9]([C:5]([H:19])([H:20])[H:21])[O:12][C:6]([H:22])([H:23])[H:24])([C:4]([H:16])([H:17])[H:18])[N:8]([H:26])[C:1](=[O:10])[C:3]([H:13])([H:14])[H:15]', inchi_key='RHVOGIHWWMMHOM-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091253', cmiles='[H:25][C@@:7]([C:2](=[O:11])[N:9]([C:5]([H:19])([H:20])[H:21])[O:12][C:6]([H:22])([H:23])[H:24])([C:4]([H:16])([H:17])[H:18])[N:8]([H:26])[C:1](=[O:10])[C:3]([H:13])([H:14])[H:15]', inchi_key='RHVOGIHWWMMHOM-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091254', cmiles='[H:25][C@@:7]([C:2](=[O:11])[N:9]([C:5]([H:19])([H:20])[H:21])[O:12][C:6]([H:22])([H:23])[H:24])([C:4]([H:16])([H:17])[H:18])[N:8]([H:26])[C:1](=[O:10])[C:3]([H:13])([H:14])[H:15]', inchi_key='RHVOGIHWWMMHOM-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091255', cmiles='[H:25][C@@:7]([C:2](=[O:11])[N:9]([C:5]([H:19])([H:20])[H:21])[O:12][C:6]([H:22])([H:23])[H:24])([C:4]([H:16])([H:17])[H:18])[N:8]([H:26])[C:1](=[O:10])[C:3]([H:13])([H:14])[H:15]', inchi_key='RHVOGIHWWMMHOM-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091256', cmiles='[H:25][C@@:7]([C:2](=[O:11])[N:9]([C:5]([H:19])([H:20])[H:21])[O:12][C:6]([H:22])([H:23])[H:24])([C:4]([H:16])([H:17])[H:18])[N:8]([H:26])[C:1](=[O:10])[C:3]([H:13])([H:14])[H:15]', inchi_key='RHVOGIHWWMMHOM-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091257', cmiles='[H:25][C@@:7]([C:2](=[O:11])[N:9]([C:5]([H:19])([H:20])[H:21])[O:12][C:6]([H:22])([H:23])[H:24])([C:4]([H:16])([H:17])[H:18])[N:8]([H:26])[C:1](=[O:10])[C:3]([H:13])([H:14])[H:15]', inchi_key='RHVOGIHWWMMHOM-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091258', cmiles='[H:25][C@@:7]([C:2](=[O:11])[N:9]([C:5]([H:19])([H:20])[H:21])[O:12][C:6]([H:22])([H:23])[H:24])([C:4]([H:16])([H:17])[H:18])[N:8]([H:26])[C:1](=[O:10])[C:3]([H:13])([H:14])[H:15]', inchi_key='RHVOGIHWWMMHOM-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091259', cmiles='[H:25][C@@:7]([C:2](=[O:11])[N:9]([C:5]([H:19])([H:20])[H:21])[O:12][C:6]([H:22])([H:23])[H:24])([C:4]([H:16])([H:17])[H:18])[N:8]([H:26])[C:1](=[O:10])[C:3]([H:13])([H:14])[H:15]', inchi_key='RHVOGIHWWMMHOM-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091260', cmiles='[H:25][C@@:7]([C:2](=[O:11])[N:9]([C:5]([H:19])([H:20])[H:21])[O:12][C:6]([H:22])([H:23])[H:24])([C:4]([H:16])([H:17])[H:18])[N:8]([H:26])[C:1](=[O:10])[C:3]([H:13])([H:14])[H:15]', inchi_key='RHVOGIHWWMMHOM-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091261', cmiles='[H:25][C@@:7]([C:2](=[O:11])[N:9]([C:5]([H:19])([H:20])[H:21])[O:12][C:6]([H:22])([H:23])[H:24])([C:4]([H:16])([H:17])[H:18])[N:8]([H:26])[C:1](=[O:10])[C:3]([H:13])([H:14])[H:15]', inchi_key='RHVOGIHWWMMHOM-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091454', cmiles='[H:17][c:1]1[c:2]([c:6]([c:10]([c:7]([c:3]1[H:19])[H:23])[C:13](=[O:15])[N:14]([H:26])[c:11]2[c:8]([c:4]([c:5]([c:9]([c:12]2[O:16][H:27])[H:25])[H:21])[H:20])[H:24])[H:22])[H:18]', inchi_key='UYKVWAQEMQDRGG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091455', cmiles='[H:17][c:1]1[c:2]([c:6]([c:10]([c:7]([c:3]1[H:19])[H:23])[C:13](=[O:15])[N:14]([H:26])[c:11]2[c:8]([c:4]([c:5]([c:9]([c:12]2[O:16][H:27])[H:25])[H:21])[H:20])[H:24])[H:22])[H:18]', inchi_key='UYKVWAQEMQDRGG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091456', cmiles='[H:17][c:1]1[c:2]([c:6]([c:10]([c:7]([c:3]1[H:19])[H:23])[C:13](=[O:15])[N:14]([H:26])[c:11]2[c:8]([c:4]([c:5]([c:9]([c:12]2[O:16][H:27])[H:25])[H:21])[H:20])[H:24])[H:22])[H:18]', inchi_key='UYKVWAQEMQDRGG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091451', cmiles='[H:11][c:1]1[c:2]([s:10][c:4]([c:3]1[C:5](=[O:9])[N:7]([H:16])[H:17])[N:8]([H:18])[C:6]([H:13])([H:14])[H:15])[H:12]', inchi_key='YTFBEFPTDUGZNR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091452', cmiles='[H:11][c:1]1[c:2]([s:10][c:4]([c:3]1[C:5](=[O:9])[N:7]([H:16])[H:17])[N:8]([H:18])[C:6]([H:13])([H:14])[H:15])[H:12]', inchi_key='YTFBEFPTDUGZNR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091453', cmiles='[H:11][c:1]1[c:2]([s:10][c:4]([c:3]1[C:5](=[O:9])[N:7]([H:16])[H:17])[N:8]([H:18])[C:6]([H:13])([H:14])[H:15])[H:12]', inchi_key='YTFBEFPTDUGZNR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091391', cmiles='[H:18][c:1]1[c:3]([c:7]([c:11]([c:8]([c:4]1[H:21])[H:25])[N:15]([H:30])[c:12]2[c:9]([c:5]([c:2]([c:6]([c:10]2[C:13](=[O:16])[O:17][C:14]([H:27])([H:28])[H:29])[H:23])[H:19])[H:22])[H:26])[H:24])[H:20]', inchi_key='ODDHBYXHXZCAGQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091392', cmiles='[H:18][c:1]1[c:3]([c:7]([c:11]([c:8]([c:4]1[H:21])[H:25])[N:15]([H:30])[c:12]2[c:9]([c:5]([c:2]([c:6]([c:10]2[C:13](=[O:16])[O:17][C:14]([H:27])([H:28])[H:29])[H:23])[H:19])[H:22])[H:26])[H:24])[H:20]', inchi_key='ODDHBYXHXZCAGQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091393', cmiles='[H:18][c:1]1[c:3]([c:7]([c:11]([c:8]([c:4]1[H:21])[H:25])[N:15]([H:30])[c:12]2[c:9]([c:5]([c:2]([c:6]([c:10]2[C:13](=[O:16])[O:17][C:14]([H:27])([H:28])[H:29])[H:23])[H:19])[H:22])[H:26])[H:24])[H:20]', inchi_key='ODDHBYXHXZCAGQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091394', cmiles='[H:18][c:1]1[c:3]([c:7]([c:11]([c:8]([c:4]1[H:21])[H:25])[N:15]([H:30])[c:12]2[c:9]([c:5]([c:2]([c:6]([c:10]2[C:13](=[O:16])[O:17][C:14]([H:27])([H:28])[H:29])[H:23])[H:19])[H:22])[H:26])[H:24])[H:20]', inchi_key='ODDHBYXHXZCAGQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091395', cmiles='[H:18][c:1]1[c:3]([c:7]([c:11]([c:8]([c:4]1[H:21])[H:25])[N:15]([H:30])[c:12]2[c:9]([c:5]([c:2]([c:6]([c:10]2[C:13](=[O:16])[O:17][C:14]([H:27])([H:28])[H:29])[H:23])[H:19])[H:22])[H:26])[H:24])[H:20]', inchi_key='ODDHBYXHXZCAGQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091396', cmiles='[H:18][c:1]1[c:3]([c:7]([c:11]([c:8]([c:4]1[H:21])[H:25])[N:15]([H:30])[c:12]2[c:9]([c:5]([c:2]([c:6]([c:10]2[C:13](=[O:16])[O:17][C:14]([H:27])([H:28])[H:29])[H:23])[H:19])[H:22])[H:26])[H:24])[H:20]', inchi_key='ODDHBYXHXZCAGQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091397', cmiles='[H:18][c:1]1[c:3]([c:7]([c:11]([c:8]([c:4]1[H:21])[H:25])[N:15]([H:30])[c:12]2[c:9]([c:5]([c:2]([c:6]([c:10]2[C:13](=[O:16])[O:17][C:14]([H:27])([H:28])[H:29])[H:23])[H:19])[H:22])[H:26])[H:24])[H:20]', inchi_key='ODDHBYXHXZCAGQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091376', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[O:11][H:22])[C:7](=[O:10])[O:12][C:9]([H:19])([H:20])[H:21])[C:8]([H:16])([H:17])[H:18])[H:14]', inchi_key='GPNCYIZKJTXKRO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091377', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[O:11][H:22])[C:7](=[O:10])[O:12][C:9]([H:19])([H:20])[H:21])[C:8]([H:16])([H:17])[H:18])[H:14]', inchi_key='GPNCYIZKJTXKRO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091434', cmiles='[H:11][C:1]1=[N:7][N:8]([C:3]([O:10]1)([C:5]([H:15])([H:16])[H:17])[C:6]([H:18])([H:19])[H:20])[C:2](=[O:9])[C:4]([H:12])([H:13])[H:14]', inchi_key='OJPHECJXUFDEEH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091446', cmiles='[H:14][c:1]1[c:2]([c:4]([o:13][c:3]1[H:16])/[C:8](=[C:6]\\2/[C:7](=[O:12])[N:11]([C:5](=[N:10]2)[H:17])[C:9]([H:19])([H:20])[H:21])/[H:18])[H:15]', inchi_key='WSPRZAHDJPBSPB-YVMONPNESA-N'), OptimizationResult(type='optimization', record_id='6091447', cmiles='[H:14][c:1]1[c:2]([c:4]([o:13][c:3]1[H:16])/[C:8](=[C:6]\\2/[C:7](=[O:12])[N:11]([C:5](=[N:10]2)[H:17])[C:9]([H:19])([H:20])[H:21])/[H:18])[H:15]', inchi_key='WSPRZAHDJPBSPB-YVMONPNESA-N'), OptimizationResult(type='optimization', record_id='6091335', cmiles='[H:12][c:1]1[c:3]([c:4]([n:9][c:2]([n:8]1)[H:13])[N:10]2[C:6]([C:5]([C:7]2([H:18])[H:19])([H:14])[H:15])([H:16])[H:17])[Cl:11]', inchi_key='LQDSDOGLFAZWKS-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='6091341', cmiles='[H:21][C@@:6]([C:1](=[O:9])[N:8]([H:24])[C:2]([H:11])([H:12])[H:13])([C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[S:10][C:3]([H:14])([H:15])[H:16])[N:7]([H:22])[H:23]', inchi_key='IRZOJKYRJZTMOW-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091342', cmiles='[H:21][C@@:6]([C:1](=[O:9])[N:8]([H:24])[C:2]([H:11])([H:12])[H:13])([C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[S:10][C:3]([H:14])([H:15])[H:16])[N:7]([H:22])[H:23]', inchi_key='IRZOJKYRJZTMOW-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091343', cmiles='[H:21][C@@:6]([C:1](=[O:9])[N:8]([H:24])[C:2]([H:11])([H:12])[H:13])([C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[S:10][C:3]([H:14])([H:15])[H:16])[N:7]([H:22])[H:23]', inchi_key='IRZOJKYRJZTMOW-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091344', cmiles='[H:21][C@@:6]([C:1](=[O:9])[N:8]([H:24])[C:2]([H:11])([H:12])[H:13])([C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[S:10][C:3]([H:14])([H:15])[H:16])[N:7]([H:22])[H:23]', inchi_key='IRZOJKYRJZTMOW-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091345', cmiles='[H:21][C@@:6]([C:1](=[O:9])[N:8]([H:24])[C:2]([H:11])([H:12])[H:13])([C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[S:10][C:3]([H:14])([H:15])[H:16])[N:7]([H:22])[H:23]', inchi_key='IRZOJKYRJZTMOW-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091346', cmiles='[H:21][C@@:6]([C:1](=[O:9])[N:8]([H:24])[C:2]([H:11])([H:12])[H:13])([C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[S:10][C:3]([H:14])([H:15])[H:16])[N:7]([H:22])[H:23]', inchi_key='IRZOJKYRJZTMOW-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091347', cmiles='[H:21][C@@:6]([C:1](=[O:9])[N:8]([H:24])[C:2]([H:11])([H:12])[H:13])([C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[S:10][C:3]([H:14])([H:15])[H:16])[N:7]([H:22])[H:23]', inchi_key='IRZOJKYRJZTMOW-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091348', cmiles='[H:21][C@@:6]([C:1](=[O:9])[N:8]([H:24])[C:2]([H:11])([H:12])[H:13])([C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[S:10][C:3]([H:14])([H:15])[H:16])[N:7]([H:22])[H:23]', inchi_key='IRZOJKYRJZTMOW-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091349', cmiles='[H:21][C@@:6]([C:1](=[O:9])[N:8]([H:24])[C:2]([H:11])([H:12])[H:13])([C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[S:10][C:3]([H:14])([H:15])[H:16])[N:7]([H:22])[H:23]', inchi_key='IRZOJKYRJZTMOW-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091350', cmiles='[H:21][C@@:6]([C:1](=[O:9])[N:8]([H:24])[C:2]([H:11])([H:12])[H:13])([C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[S:10][C:3]([H:14])([H:15])[H:16])[N:7]([H:22])[H:23]', inchi_key='IRZOJKYRJZTMOW-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091351', cmiles='[H:21][C@@:6]([C:1](=[O:9])[N:8]([H:24])[C:2]([H:11])([H:12])[H:13])([C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[S:10][C:3]([H:14])([H:15])[H:16])[N:7]([H:22])[H:23]', inchi_key='IRZOJKYRJZTMOW-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091352', cmiles='[H:21][C@@:6]([C:1](=[O:9])[N:8]([H:24])[C:2]([H:11])([H:12])[H:13])([C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[S:10][C:3]([H:14])([H:15])[H:16])[N:7]([H:22])[H:23]', inchi_key='IRZOJKYRJZTMOW-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091353', cmiles='[H:21][C@@:6]([C:1](=[O:9])[N:8]([H:24])[C:2]([H:11])([H:12])[H:13])([C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[S:10][C:3]([H:14])([H:15])[H:16])[N:7]([H:22])[H:23]', inchi_key='IRZOJKYRJZTMOW-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091354', cmiles='[H:21][C@@:6]([C:1](=[O:9])[N:8]([H:24])[C:2]([H:11])([H:12])[H:13])([C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[S:10][C:3]([H:14])([H:15])[H:16])[N:7]([H:22])[H:23]', inchi_key='IRZOJKYRJZTMOW-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091355', cmiles='[H:21][C@@:6]([C:1](=[O:9])[N:8]([H:24])[C:2]([H:11])([H:12])[H:13])([C:4]([H:17])([H:18])[C:5]([H:19])([H:20])[S:10][C:3]([H:14])([H:15])[H:16])[N:7]([H:22])[H:23]', inchi_key='IRZOJKYRJZTMOW-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='6091427', cmiles='[H:8][C:1](=[N:4][N:6]([H:14])[C:2](=[S:7])[N:5]([H:13])[C:3]([H:10])([H:11])[H:12])[H:9]', inchi_key='JXBOYRTYSDNPAZ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434757', cmiles='[H:22][c:1]1[c:2]([c:9]2[c:5]([c:3]([c:7]1[C:14]([H:29])([H:30])[H:31])[H:24])[c:8](=[O:18])[c:6]([c:4]([o:21]2)[H:25])/[C:12](=[N:15]/[N:17]3[C:11](=[O:20])[N:16]([C:10](=[O:19])[C:13]3([H:27])[H:28])[H:32])/[H:26])[H:23]', inchi_key='YHMJMFFJWQMSKH-PJQLUOCWSA-N'), OptimizationResult(type='optimization', record_id='18434758', cmiles='[H:22][c:1]1[c:2]([c:9]2[c:5]([c:3]([c:7]1[C:14]([H:29])([H:30])[H:31])[H:24])[c:8](=[O:18])[c:6]([c:4]([o:21]2)[H:25])/[C:12](=[N:15]/[N:17]3[C:11](=[O:20])[N:16]([C:10](=[O:19])[C:13]3([H:27])[H:28])[H:32])/[H:26])[H:23]', inchi_key='YHMJMFFJWQMSKH-PJQLUOCWSA-N'), OptimizationResult(type='optimization', record_id='18434759', cmiles='[H:18][c:1]1[c:2]([n:14][c:4]([c:3]([n:13]1)[N@:15]2[C:5]([C@@:7]([C@:8]([C:6]2([H:22])[H:23])([C:10]([H:28])([H:29])[H:30])[O:17][H:37])([H:24])[C:9]([H:25])([H:26])[H:27])([H:20])[H:21])[N:16]([C:11]([H:31])([H:32])[H:33])[C:12]([H:34])([H:35])[H:36])[H:19]', inchi_key='MUIPLCCIZBJSKE-BXKDBHETSA-N'), OptimizationResult(type='optimization', record_id='18434760', cmiles='[H:18][c:1]1[c:2]([n:14][c:4]([c:3]([n:13]1)[N@:15]2[C:5]([C@@:7]([C@:8]([C:6]2([H:22])[H:23])([C:10]([H:28])([H:29])[H:30])[O:17][H:37])([H:24])[C:9]([H:25])([H:26])[H:27])([H:20])[H:21])[N:16]([C:11]([H:31])([H:32])[H:33])[C:12]([H:34])([H:35])[H:36])[H:19]', inchi_key='MUIPLCCIZBJSKE-BXKDBHETSA-N'), OptimizationResult(type='optimization', record_id='18434761', cmiles='[H:11][c:1]1[c:2]([c:4]([s:10][c:3]1[H:13])[C:6]([H:14])([H:15])/[C:5](=[N:7]\\[O:9][H:18])/[N:8]([H:16])[H:17])[H:12]', inchi_key='LHSWRTYGIVUVHO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434762', cmiles='[H:11][c:1]1[c:2]([c:4]([s:10][c:3]1[H:13])[C:6]([H:14])([H:15])/[C:5](=[N:7]\\[O:9][H:18])/[N:8]([H:16])[H:17])[H:12]', inchi_key='LHSWRTYGIVUVHO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434763', cmiles='[H:11][c:1]1[c:2]([c:4]([s:10][c:3]1[H:13])[C:6]([H:14])([H:15])/[C:5](=[N:7]\\[O:9][H:18])/[N:8]([H:16])[H:17])[H:12]', inchi_key='LHSWRTYGIVUVHO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434764', cmiles='[H:11][c:1]1[c:2]([c:4]([s:10][c:3]1[H:13])[C:6]([H:14])([H:15])/[C:5](=[N:7]\\[O:9][H:18])/[N:8]([H:16])[H:17])[H:12]', inchi_key='LHSWRTYGIVUVHO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434765', cmiles='[H:11][c:1]1[c:2]([c:4]([s:10][c:3]1[H:13])[C:6]([H:14])([H:15])/[C:5](=[N:7]\\[O:9][H:18])/[N:8]([H:16])[H:17])[H:12]', inchi_key='LHSWRTYGIVUVHO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434766', cmiles='[H:11][c:1]1[c:2]([c:4]([s:10][c:3]1[H:13])[C:6]([H:14])([H:15])/[C:5](=[N:7]\\[O:9][H:18])/[N:8]([H:16])[H:17])[H:12]', inchi_key='LHSWRTYGIVUVHO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434767', cmiles='[H:22][c:1]1[c:4]([c:2]([c:6]([c:3]([c:5]1[C:14]([F:19])([F:20])[F:21])[H:24])[O:18][C:13]([H:31])([H:32])[H:33])[H:23])[c:9]2[n:15][c:7]3[c:8]([n:16]2[H:34])[C:11]([C:12]([N:17]([C:10]3([H:25])[H:26])[H:35])([H:29])[H:30])([H:27])[H:28]', inchi_key='BHPLXFQWZOHIPR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434768', cmiles='[H:22][c:1]1[c:4]([c:2]([c:6]([c:3]([c:5]1[C:14]([F:19])([F:20])[F:21])[H:24])[O:18][C:13]([H:31])([H:32])[H:33])[H:23])[c:9]2[n:15][c:7]3[c:8]([n:16]2[H:34])[C:11]([C:12]([N:17]([C:10]3([H:25])[H:26])[H:35])([H:29])[H:30])([H:27])[H:28]', inchi_key='BHPLXFQWZOHIPR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434769', cmiles='[H:22][c:1]1[c:4]([c:2]([c:6]([c:3]([c:5]1[C:14]([F:19])([F:20])[F:21])[H:24])[O:18][C:13]([H:31])([H:32])[H:33])[H:23])[c:9]2[n:15][c:7]3[c:8]([n:16]2[H:34])[C:11]([C:12]([N:17]([C:10]3([H:25])[H:26])[H:35])([H:29])[H:30])([H:27])[H:28]', inchi_key='BHPLXFQWZOHIPR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434770', cmiles='[H:22][c:1]1[c:4]([c:2]([c:6]([c:3]([c:5]1[C:14]([F:19])([F:20])[F:21])[H:24])[O:18][C:13]([H:31])([H:32])[H:33])[H:23])[c:9]2[n:15][c:7]3[c:8]([n:16]2[H:34])[C:11]([C:12]([N:17]([C:10]3([H:25])[H:26])[H:35])([H:29])[H:30])([H:27])[H:28]', inchi_key='BHPLXFQWZOHIPR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434771', cmiles='[H:15][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:17])[O:12][C:8]([O:13]2)([H:18])[H:19])[C:7](=[O:11])[O:14][C:10]([H:23])([H:24])[C:9]([H:20])([H:21])[H:22])[H:16]', inchi_key='TYQKHCZKVCIXAJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434772', cmiles='[H:15][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:17])[O:12][C:8]([O:13]2)([H:18])[H:19])[C:7](=[O:11])[O:14][C:10]([H:23])([H:24])[C:9]([H:20])([H:21])[H:22])[H:16]', inchi_key='TYQKHCZKVCIXAJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434773', cmiles='[H:15][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:17])[O:12][C:8]([O:13]2)([H:18])[H:19])[C:7](=[O:11])[O:14][C:10]([H:23])([H:24])[C:9]([H:20])([H:21])[H:22])[H:16]', inchi_key='TYQKHCZKVCIXAJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434774', cmiles='[H:15][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:17])[O:12][C:8]([O:13]2)([H:18])[H:19])[C:7](=[O:11])[O:14][C:10]([H:23])([H:24])[C:9]([H:20])([H:21])[H:22])[H:16]', inchi_key='TYQKHCZKVCIXAJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434775', cmiles='[H:17][C@:5]1([C:4]([O:9][C:3]([C:2]([N:7]1[H:21])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16])[C:1](=[O:8])[O:10][C:6]([H:18])([H:19])[H:20]', inchi_key='VVYXIRKYWOEDRA-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='18434776', cmiles='[H:17][C@:5]1([C:4]([O:9][C:3]([C:2]([N:7]1[H:21])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16])[C:1](=[O:8])[O:10][C:6]([H:18])([H:19])[H:20]', inchi_key='VVYXIRKYWOEDRA-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='18434777', cmiles='[H:17][C@:5]1([C:4]([O:9][C:3]([C:2]([N:7]1[H:21])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16])[C:1](=[O:8])[O:10][C:6]([H:18])([H:19])[H:20]', inchi_key='VVYXIRKYWOEDRA-YFKPBYRVSA-N'), OptimizationResult(type='optimization', record_id='18434778', cmiles='[H:17][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[N+:11](=[O:14])[O-:12])[C@@:9]2([C:8]([O:15][C:7](=[O:13])[N:10]2[H:23])([H:20])[H:21])[H:22])[H:19])[F:16])[H:18]', inchi_key='LTLOXGMRRNKATA-ZETCQYMHSA-N'), OptimizationResult(type='optimization', record_id='18434779', cmiles='[H:17][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[N+:11](=[O:14])[O-:12])[C@@:9]2([C:8]([O:15][C:7](=[O:13])[N:10]2[H:23])([H:20])[H:21])[H:22])[H:19])[F:16])[H:18]', inchi_key='LTLOXGMRRNKATA-ZETCQYMHSA-N'), OptimizationResult(type='optimization', record_id='18434780', cmiles='[H:16][c:1]1[c:2]([c:6]([c:5]([c:3]([c:4]1[C:10]([H:24])([H:25])[H:26])[H:18])[O:14][C:11]([H:27])([H:28])[C:9]2([O:12][C:7]([C:8]([O:13]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:17]', inchi_key='LOCUFULHMDBWPP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434781', cmiles='[H:16][c:1]1[c:2]([c:6]([c:5]([c:3]([c:4]1[C:10]([H:24])([H:25])[H:26])[H:18])[O:14][C:11]([H:27])([H:28])[C:9]2([O:12][C:7]([C:8]([O:13]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:17]', inchi_key='LOCUFULHMDBWPP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434782', cmiles='[H:16][c:1]1[c:2]([c:6]([c:5]([c:3]([c:4]1[C:10]([H:24])([H:25])[H:26])[H:18])[O:14][C:11]([H:27])([H:28])[C:9]2([O:12][C:7]([C:8]([O:13]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:17]', inchi_key='LOCUFULHMDBWPP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434796', cmiles='[H:16][c:1]1[c:2]([c:6]([c:5]([c:3]([c:4]1[C:10]([H:24])([H:25])[H:26])[H:18])[O:14][C:11]([H:27])([H:28])[C:9]2([O:12][C:7]([C:8]([O:13]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:17]', inchi_key='LOCUFULHMDBWPP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434815', cmiles='[H:16][c:1]1[c:2]([c:6]([c:5]([c:3]([c:4]1[C:10]([H:24])([H:25])[H:26])[H:18])[O:14][C:11]([H:27])([H:28])[C:9]2([O:12][C:7]([C:8]([O:13]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:17]', inchi_key='LOCUFULHMDBWPP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434816', cmiles='[H:16][c:1]1[c:2]([c:6]([c:5]([c:3]([c:4]1[C:10]([H:24])([H:25])[H:26])[H:18])[O:14][C:11]([H:27])([H:28])[C:9]2([O:12][C:7]([C:8]([O:13]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:17]', inchi_key='LOCUFULHMDBWPP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434817', cmiles='[H:16][c:1]1[c:2]([c:6]([c:5]([c:3]([c:4]1[C:10]([H:24])([H:25])[H:26])[H:18])[O:14][C:11]([H:27])([H:28])[C:9]2([O:12][C:7]([C:8]([O:13]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:17]', inchi_key='LOCUFULHMDBWPP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434818', cmiles='[H:16][c:1]1[c:2]([c:6]([c:5]([c:3]([c:4]1[C:10]([H:24])([H:25])[H:26])[H:18])[O:14][C:11]([H:27])([H:28])[C:9]2([O:12][C:7]([C:8]([O:13]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:17]', inchi_key='LOCUFULHMDBWPP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434819', cmiles='[H:16][c:1]1[c:2]([c:6]([c:5]([c:3]([c:4]1[C:10]([H:24])([H:25])[H:26])[H:18])[O:14][C:11]([H:27])([H:28])[C:9]2([O:12][C:7]([C:8]([O:13]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:17]', inchi_key='LOCUFULHMDBWPP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434856', cmiles='[H:13][c:2]1[c:3]([c:6]([n:11][c:4]([c:5]1[Cl:12])[H:15])[C:9]2([C:7]([C:8]2([H:18])[H:19])([H:16])[H:17])[C:1]#[N:10])[H:14]', inchi_key='DUHYHPLFWJCKAZ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434857', cmiles='[H:13][c:2]1[c:3]([c:6]([n:11][c:4]([c:5]1[Cl:12])[H:15])[C:9]2([C:7]([C:8]2([H:18])[H:19])([H:16])[H:17])[C:1]#[N:10])[H:14]', inchi_key='DUHYHPLFWJCKAZ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434858', cmiles='[H:13][c:1]1[c:2]([c:7]2[c:4]([c:5]([n:11][c:6]([c:8]2[c:9]([c:3]1[H:15])[O:12][C:10]([H:19])([H:20])[H:21])[H:18])[H:17])[H:16])[H:14]', inchi_key='HHZGHKIHHIKUHK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434859', cmiles='[H:9][c:1]1[c:2]([n:5][c:3]([s:7]1)[C:4]([H:10])([H:11])[N:6]([H:12])[H:13])[Br:8]', inchi_key='TWNJOLKBUQYMEW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434860', cmiles='[H:9][c:1]1[c:2]([n:5][c:3]([s:7]1)[C:4]([H:10])([H:11])[N:6]([H:12])[H:13])[Br:8]', inchi_key='TWNJOLKBUQYMEW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434861', cmiles='[H:12][c:1]1[c:3]([c:6]([c:4]([c:2]([c:5]1[C:8]([H:17])([H:18])[H:19])[H:13])[H:15])/[N:10]=[C:7](/[H:16])\\[O:11][C:9]([H:20])([H:21])[H:22])[H:14]', inchi_key='JVFZTLGIXAFEDP-YFHOEESVSA-N'), OptimizationResult(type='optimization', record_id='18434862', cmiles='[H:15][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:17])[c:7]2[n:11][c:8]([n:12][o:13]2)[C:9]([H:19])([H:20])[H:21])[C:10]([H:22])([H:23])[Br:14])[H:18])[H:16]', inchi_key='GTXIOLDSSMKRDR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434863', cmiles='[H:15][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:17])[c:7]2[n:11][c:8]([n:12][o:13]2)[C:9]([H:19])([H:20])[H:21])[C:10]([H:22])([H:23])[Br:14])[H:18])[H:16]', inchi_key='GTXIOLDSSMKRDR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434864', cmiles='[H:15][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:17])[c:7]2[n:11][c:8]([n:12][o:13]2)[C:9]([H:19])([H:20])[H:21])[C:10]([H:22])([H:23])[Br:14])[H:18])[H:16]', inchi_key='GTXIOLDSSMKRDR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434865', cmiles='[H:15][c:1]1[c:2]([c:5]2[c:6]([c:7]([c:4]([n:11]([c:9]2=[O:12])[H:22])[H:18])[O:13][C:10]([H:19])([H:20])[H:21])[c:8]([c:3]1[H:17])[Cl:14])[H:16]', inchi_key='VXGSYGILMSFHCY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434866', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]([c:8]([c:3]1[H:22])[H:27])[n:18]2[c:11]3[c:9]([c:5]([c:4]([c:6]([c:10]3[n:17][c:13]2[C@:16]([H:34])([C:15]([H:31])([H:32])[H:33])[N:19]([H:35])[H:36])[H:25])[H:23])[H:24])[C:14]([H:28])([H:29])[H:30])[H:26])[H:21]', inchi_key='AUESLSUHCZOWNX-LBPRGKRZSA-N'), OptimizationResult(type='optimization', record_id='18434867', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]([c:8]([c:3]1[H:22])[H:27])[n:18]2[c:11]3[c:9]([c:5]([c:4]([c:6]([c:10]3[n:17][c:13]2[C@:16]([H:34])([C:15]([H:31])([H:32])[H:33])[N:19]([H:35])[H:36])[H:25])[H:23])[H:24])[C:14]([H:28])([H:29])[H:30])[H:26])[H:21]', inchi_key='AUESLSUHCZOWNX-LBPRGKRZSA-N'), OptimizationResult(type='optimization', record_id='18434868', cmiles='[H:14][C:1]#[C:2][c:7]1[c:5]([c:3]([c:4]([c:6]([c:8]1[C:9](=[O:12])[O:13][C:11]([H:22])([H:23])[C:10]([H:19])([H:20])[H:21])[H:18])[H:16])[H:15])[H:17]', inchi_key='RDKANJFJBXFYSA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434869', cmiles='[H:14][C:1]#[C:2][c:7]1[c:5]([c:3]([c:4]([c:6]([c:8]1[C:9](=[O:12])[O:13][C:11]([H:22])([H:23])[C:10]([H:19])([H:20])[H:21])[H:18])[H:16])[H:15])[H:17]', inchi_key='RDKANJFJBXFYSA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434870', cmiles='[H:14][C:1]#[C:2][c:7]1[c:5]([c:3]([c:4]([c:6]([c:8]1[C:9](=[O:12])[O:13][C:11]([H:22])([H:23])[C:10]([H:19])([H:20])[H:21])[H:18])[H:16])[H:15])[H:17]', inchi_key='RDKANJFJBXFYSA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434871', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:19])[C:11]3([C:7]([C:9]([N:15]([C:10]([C:8]3([H:23])[H:24])([H:27])[H:28])[H:35])([H:25])[H:26])([H:21])[H:22])[O:16][C:12]2([C:13]([H:29])([H:30])[H:31])[C:14]([H:32])([H:33])[H:34])[H:20])[H:18]', inchi_key='YJJHIMYQURVDAR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434872', cmiles='[H:15][c:1]1[c:2]([c:6]([c:5]([c:3]([c:4]1[N+:10](=[O:12])[O-:11])[C@:8]([H:20])([C:7]([H:17])([H:18])[H:19])[N:9]([H:21])[H:22])[O:13][H:23])[Cl:14])[H:16]', inchi_key='NOPICYSEHMCUDK-BYPYZUCNSA-N'), OptimizationResult(type='optimization', record_id='18434873', cmiles='[H:15][c:1]1[c:2]([c:6]([c:5]([c:3]([c:4]1[N+:10](=[O:12])[O-:11])[C@:8]([H:20])([C:7]([H:17])([H:18])[H:19])[N:9]([H:21])[H:22])[O:13][H:23])[Cl:14])[H:16]', inchi_key='NOPICYSEHMCUDK-BYPYZUCNSA-N'), OptimizationResult(type='optimization', record_id='18434874', cmiles='[H:16][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:18])[F:15])[H:19])/[N:11]=[N:12]\\[N:13]2[C:7]([C:9]([O:14][C:10]([C:8]2([H:22])[H:23])([H:26])[H:27])([H:24])[H:25])([H:20])[H:21])[H:17]', inchi_key='KQTXOAAJYZGRNB-SEYXRHQNSA-N'), OptimizationResult(type='optimization', record_id='18434875', cmiles='[H:16][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:18])[F:15])[H:19])/[N:11]=[N:12]\\[N:13]2[C:7]([C:9]([O:14][C:10]([C:8]2([H:22])[H:23])([H:26])[H:27])([H:24])[H:25])([H:20])[H:21])[H:17]', inchi_key='KQTXOAAJYZGRNB-SEYXRHQNSA-N'), OptimizationResult(type='optimization', record_id='18434876', cmiles='[H:13][c:2]1[c:3]([c:6]([n:11][c:4]([c:5]1[Br:12])[H:15])[C:9]2([C:7]([C:8]2([H:18])[H:19])([H:16])[H:17])[C:1]#[N:10])[H:14]', inchi_key='GGRMZTUSQIMIPA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434877', cmiles='[H:13][c:2]1[c:3]([c:6]([n:11][c:4]([c:5]1[Br:12])[H:15])[C:9]2([C:7]([C:8]2([H:18])[H:19])([H:16])[H:17])[C:1]#[N:10])[H:14]', inchi_key='GGRMZTUSQIMIPA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434878', cmiles='[H:19][c:1]1[c:2]([c:4]([c:9]([c:5]([c:3]1[H:21])[H:23])/[N:15]=[N:16]/[c:10]2[c:6]([c:8]([c:7]([c:12]([c:11]2[O:17][H:31])[Br:18])[H:25])[C:14]([H:29])([H:30])[C:13]([H:26])([H:27])[H:28])[H:24])[H:22])[H:20]', inchi_key='AOWZWLUMBROUQX-WUKNDPDISA-N'), OptimizationResult(type='optimization', record_id='18434879', cmiles='[H:19][c:1]1[c:2]([c:4]([c:9]([c:5]([c:3]1[H:21])[H:23])/[N:15]=[N:16]/[c:10]2[c:6]([c:8]([c:7]([c:12]([c:11]2[O:17][H:31])[Br:18])[H:25])[C:14]([H:29])([H:30])[C:13]([H:26])([H:27])[H:28])[H:24])[H:22])[H:20]', inchi_key='AOWZWLUMBROUQX-WUKNDPDISA-N'), OptimizationResult(type='optimization', record_id='18434880', cmiles='[H:19][c:1]1[c:2]([c:4]([c:9]([c:5]([c:3]1[H:21])[H:23])/[N:15]=[N:16]/[c:10]2[c:6]([c:8]([c:7]([c:12]([c:11]2[O:17][H:31])[Br:18])[H:25])[C:14]([H:29])([H:30])[C:13]([H:26])([H:27])[H:28])[H:24])[H:22])[H:20]', inchi_key='AOWZWLUMBROUQX-WUKNDPDISA-N'), OptimizationResult(type='optimization', record_id='18434881', cmiles='[H:14][c:1]1[c:3]([c:2]([n:10][c:4]([n:9]1)[C:8]2([C:6]([C:7]2([H:18])[H:19])([H:16])[H:17])[C:5](=[O:11])[O:12][H:20])[H:15])[Br:13]', inchi_key='MYNJIMCHASPXKV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434919', cmiles='[H:14][c:1]1[c:3]([c:2]([n:10][c:4]([n:9]1)[C:8]2([C:6]([C:7]2([H:18])[H:19])([H:16])[H:17])[C:5](=[O:11])[O:12][H:20])[H:15])[Br:13]', inchi_key='MYNJIMCHASPXKV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434920', cmiles='[H:14][c:1]1[c:3]([c:2]([n:10][c:4]([n:9]1)[C:8]2([C:6]([C:7]2([H:18])[H:19])([H:16])[H:17])[C:5](=[O:11])[O:12][H:20])[H:15])[Br:13]', inchi_key='MYNJIMCHASPXKV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434921', cmiles='[H:17][c:1]1[c:2]([c:7]([c:4]([c:8]2[c:5]1[c:3]([c:6]([c:9](=[O:16])[n:15]2[H:30])/[C:10](=[N:14]/[C:13]([H:28])([H:29])[C:12]([H:25])([H:26])[H:27])/[H:21])[H:19])[H:20])[C:11]([H:22])([H:23])[H:24])[H:18]', inchi_key='NSRNUXZUYJOISW-RIYZIHGNSA-N'), OptimizationResult(type='optimization', record_id='18434922', cmiles='[H:17][c:1]1[c:2]([n:13][c:4]([n:14][c:3]1[N@@:15]2[C:6]([C@:8]([C:7]([C:5]2([H:19])[H:20])([C:10]([H:26])([H:27])[H:28])[C:11]([H:29])([H:30])[H:31])([C:12]([H:32])([H:33])[H:34])[O:16][H:35])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[H:18]', inchi_key='ALWIWCRGONUXCU-LBPRGKRZSA-N'), OptimizationResult(type='optimization', record_id='18434923', cmiles='[H:17][c:1]1[c:2]([n:13][c:4]([n:14][c:3]1[N@@:15]2[C:6]([C@:8]([C:7]([C:5]2([H:19])[H:20])([C:10]([H:26])([H:27])[H:28])[C:11]([H:29])([H:30])[H:31])([C:12]([H:32])([H:33])[H:34])[O:16][H:35])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[H:18]', inchi_key='ALWIWCRGONUXCU-LBPRGKRZSA-N'), OptimizationResult(type='optimization', record_id='18434924', cmiles='[H:17][c:1]1[c:2]([n:13][c:4]([n:14][c:3]1[N@@:15]2[C:6]([C@:8]([C:7]([C:5]2([H:19])[H:20])([C:10]([H:26])([H:27])[H:28])[C:11]([H:29])([H:30])[H:31])([C:12]([H:32])([H:33])[H:34])[O:16][H:35])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[H:18]', inchi_key='ALWIWCRGONUXCU-LBPRGKRZSA-N'), OptimizationResult(type='optimization', record_id='18434925', cmiles='[H:17][c:1]1[c:2]([n:13][c:4]([n:14][c:3]1[N@@:15]2[C:6]([C@:8]([C:7]([C:5]2([H:19])[H:20])([C:10]([H:26])([H:27])[H:28])[C:11]([H:29])([H:30])[H:31])([C:12]([H:32])([H:33])[H:34])[O:16][H:35])([H:21])[H:22])[C:9]([H:23])([H:24])[H:25])[H:18]', inchi_key='ALWIWCRGONUXCU-LBPRGKRZSA-N'), OptimizationResult(type='optimization', record_id='18434937', cmiles='[H:14][c:1]1[c:3]([c:2]([c:5]([c:6]([c:4]1[F:11])[F:13])[F:12])[H:15])[C:7](=[O:10])[C:9]([H:19])([H:20])[C:8]([H:16])([H:17])[H:18]', inchi_key='VKEOHMCVBFCMSU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434938', cmiles='[H:14][c:1]1[c:3]([c:2]([c:5]([c:6]([c:4]1[F:11])[F:13])[F:12])[H:15])[C:7](=[O:10])[C:9]([H:19])([H:20])[C:8]([H:16])([H:17])[H:18]', inchi_key='VKEOHMCVBFCMSU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434939', cmiles='[H:16][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[F:14])[H:18])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:17]', inchi_key='OYPDBTCXZKYWIL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434940', cmiles='[H:16][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[F:14])[H:18])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:17]', inchi_key='OYPDBTCXZKYWIL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434941', cmiles='[H:16][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[F:14])[H:18])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:17]', inchi_key='OYPDBTCXZKYWIL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434942', cmiles='[H:16][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[F:14])[H:18])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:17]', inchi_key='OYPDBTCXZKYWIL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434943', cmiles='[H:16][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[F:14])[H:18])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:17]', inchi_key='OYPDBTCXZKYWIL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434944', cmiles='[H:16][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[F:14])[H:18])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:17]', inchi_key='OYPDBTCXZKYWIL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434945', cmiles='[H:16][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[F:14])[H:18])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:17]', inchi_key='OYPDBTCXZKYWIL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434946', cmiles='[H:16][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[F:14])[H:18])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:17]', inchi_key='OYPDBTCXZKYWIL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434947', cmiles='[H:11][c:1]1[c:2]([c:4]([n:7]([c:3]1[H:13])[H:16])[C@:5]([H:14])([C:6]([H:15])([F:9])[F:10])[N:8]([H:17])[H:18])[H:12]', inchi_key='JKTNXTNHVXZOPY-RXMQYKEDSA-N'), OptimizationResult(type='optimization', record_id='18434948', cmiles='[H:11][c:1]1[c:2]([c:4]([n:7]([c:3]1[H:13])[H:16])[C@:5]([H:14])([C:6]([H:15])([F:9])[F:10])[N:8]([H:17])[H:18])[H:12]', inchi_key='JKTNXTNHVXZOPY-RXMQYKEDSA-N'), OptimizationResult(type='optimization', record_id='18434949', cmiles='[H:17][C:5]1([C:7]([N:13]([C:8]([C:6]([C:9]1([H:25])[C:4](=[O:15])[N:14]([H:33])[c:3]2[n:12][c:1]([c:2]([s:16]2)[C:11]([H:29])([H:30])[H:31])[C:10]([H:26])([H:27])[H:28])([H:19])[H:20])([H:23])[H:24])[H:32])([H:21])[H:22])[H:18]', inchi_key='OWOQDJPLSXXRDV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434950', cmiles='[H:17][C:5]1([C:7]([N:13]([C:8]([C:6]([C:9]1([H:25])[C:4](=[O:15])[N:14]([H:33])[c:3]2[n:12][c:1]([c:2]([s:16]2)[C:11]([H:29])([H:30])[H:31])[C:10]([H:26])([H:27])[H:28])([H:19])[H:20])([H:23])[H:24])[H:32])([H:21])[H:22])[H:18]', inchi_key='OWOQDJPLSXXRDV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434951', cmiles='[H:17][C:5]1([C:7]([N:13]([C:8]([C:6]([C:9]1([H:25])[C:4](=[O:15])[N:14]([H:33])[c:3]2[n:12][c:1]([c:2]([s:16]2)[C:11]([H:29])([H:30])[H:31])[C:10]([H:26])([H:27])[H:28])([H:19])[H:20])([H:23])[H:24])[H:32])([H:21])[H:22])[H:18]', inchi_key='OWOQDJPLSXXRDV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434952', cmiles='[H:17][C:5]1([C:7]([N:13]([C:8]([C:6]([C:9]1([H:25])[C:4](=[O:15])[N:14]([H:33])[c:3]2[n:12][c:1]([c:2]([s:16]2)[C:11]([H:29])([H:30])[H:31])[C:10]([H:26])([H:27])[H:28])([H:19])[H:20])([H:23])[H:24])[H:32])([H:21])[H:22])[H:18]', inchi_key='OWOQDJPLSXXRDV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434953', cmiles='[H:17][C:5]1([C:7]([N:13]([C:8]([C:6]([C:9]1([H:25])[C:4](=[O:15])[N:14]([H:33])[c:3]2[n:12][c:1]([c:2]([s:16]2)[C:11]([H:29])([H:30])[H:31])[C:10]([H:26])([H:27])[H:28])([H:19])[H:20])([H:23])[H:24])[H:32])([H:21])[H:22])[H:18]', inchi_key='OWOQDJPLSXXRDV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434954', cmiles='[H:17][C:5]1([C:7]([N:13]([C:8]([C:6]([C:9]1([H:25])[C:4](=[O:15])[N:14]([H:33])[c:3]2[n:12][c:1]([c:2]([s:16]2)[C:11]([H:29])([H:30])[H:31])[C:10]([H:26])([H:27])[H:28])([H:19])[H:20])([H:23])[H:24])[H:32])([H:21])[H:22])[H:18]', inchi_key='OWOQDJPLSXXRDV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434955', cmiles='[H:16][c:1]1[c:3]([c:6]([c:2]([c:5]([c:4]1[O:13][C:10]([H:23])([H:24])[H:25])[O:14][C:11]([H:26])([H:27])[H:28])[H:17])[F:15])[C@:9]2([C:7]([C:8]([N:12]2[H:29])([H:20])[H:21])([H:18])[H:19])[H:22]', inchi_key='XEUSJDWJUAPHMP-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='18434956', cmiles='[H:16][c:1]1[c:3]([c:6]([c:2]([c:5]([c:4]1[O:13][C:10]([H:23])([H:24])[H:25])[O:14][C:11]([H:26])([H:27])[H:28])[H:17])[F:15])[C@:9]2([C:7]([C:8]([N:12]2[H:29])([H:20])[H:21])([H:18])[H:19])[H:22]', inchi_key='XEUSJDWJUAPHMP-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='18434957', cmiles='[H:13][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:15])[N:9]([H:19])[H:20])[Cl:12])[C:7](=[O:10])[O:11][C:8]([H:16])([H:17])[H:18])[H:14]', inchi_key='NKBQKMXNIWIFAE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434958', cmiles='[H:13][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:15])[N:9]([H:19])[H:20])[Cl:12])[C:7](=[O:10])[O:11][C:8]([H:16])([H:17])[H:18])[H:14]', inchi_key='NKBQKMXNIWIFAE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18434959', cmiles='[H:14][c:1]1[c:2]([c:4]([o:12][c:3]1[C@:8]2([C:7]([O:13][C:6]([C:5]([N:11]2[H:28])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])[H:22])[C:10]([H:26])([H:27])[C:9]([H:23])([H:24])[H:25])[H:15]', inchi_key='NUZROGSTBLQPSY-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='18434960', cmiles='[H:14][c:1]1[c:2]([c:4]([o:12][c:3]1[C@:8]2([C:7]([O:13][C:6]([C:5]([N:11]2[H:28])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])[H:22])[C:10]([H:26])([H:27])[C:9]([H:23])([H:24])[H:25])[H:15]', inchi_key='NUZROGSTBLQPSY-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='18434961', cmiles='[H:14][c:1]1[c:2]([c:4]([o:12][c:3]1[C@:8]2([C:7]([O:13][C:6]([C:5]([N:11]2[H:28])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])[H:22])[C:10]([H:26])([H:27])[C:9]([H:23])([H:24])[H:25])[H:15]', inchi_key='NUZROGSTBLQPSY-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='18434962', cmiles='[H:14][c:1]1[c:2]([c:4]([o:12][c:3]1[C@:8]2([C:7]([O:13][C:6]([C:5]([N:11]2[H:28])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])[H:22])[C:10]([H:26])([H:27])[C:9]([H:23])([H:24])[H:25])[H:15]', inchi_key='NUZROGSTBLQPSY-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='18434963', cmiles='[H:23][c:1]1[c:2]([c:6]([c:4]([c:7]([c:3]1[H:25])[Cl:21])[H:26])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[H:24]', inchi_key='HWTWZWGTRGDTNJ-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18434964', cmiles='[H:23][c:1]1[c:2]([c:6]([c:4]([c:7]([c:3]1[H:25])[Cl:21])[H:26])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[H:24]', inchi_key='HWTWZWGTRGDTNJ-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18434965', cmiles='[H:23][c:1]1[c:2]([c:6]([c:4]([c:7]([c:3]1[H:25])[Cl:21])[H:26])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[H:24]', inchi_key='HWTWZWGTRGDTNJ-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18434966', cmiles='[H:23][c:1]1[c:2]([c:6]([c:4]([c:7]([c:3]1[H:25])[Cl:21])[H:26])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[H:24]', inchi_key='HWTWZWGTRGDTNJ-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18434967', cmiles='[H:23][c:1]1[c:2]([c:6]([c:4]([c:7]([c:3]1[H:25])[Cl:21])[H:26])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[H:24]', inchi_key='HWTWZWGTRGDTNJ-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18434968', cmiles='[H:23][c:1]1[c:2]([c:6]([c:4]([c:7]([c:3]1[H:25])[Cl:21])[H:26])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[H:24]', inchi_key='HWTWZWGTRGDTNJ-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18434969', cmiles='[H:23][c:1]1[c:2]([c:6]([c:4]([c:7]([c:3]1[H:25])[Cl:21])[H:26])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[H:24]', inchi_key='HWTWZWGTRGDTNJ-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18434970', cmiles='[H:23][c:1]1[c:2]([c:6]([c:4]([c:7]([c:3]1[H:25])[Cl:21])[H:26])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[H:24]', inchi_key='HWTWZWGTRGDTNJ-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18434971', cmiles='[H:23][c:1]1[c:2]([c:6]([c:4]([c:7]([c:3]1[H:25])[Cl:21])[H:26])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[H:24]', inchi_key='HWTWZWGTRGDTNJ-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18435006', cmiles='[H:23][c:1]1[c:2]([c:6]([c:4]([c:7]([c:3]1[H:25])[Cl:21])[H:26])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[H:24]', inchi_key='HWTWZWGTRGDTNJ-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18435007', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:18])[O:11][C:8]([O:12]2)([F:14])[F:15])[C:7](=[O:10])[O:13][C:9]([H:19])([H:20])[H:21])[H:17]', inchi_key='YOFVVETULGVRHY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435008', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:18])[O:11][C:8]([O:12]2)([F:14])[F:15])[C:7](=[O:10])[O:13][C:9]([H:19])([H:20])[H:21])[H:17]', inchi_key='YOFVVETULGVRHY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435009', cmiles='[H:16][c:1]1[c:2]([c:4]([c:9]([c:8]([c:3]1[H:18])[O:14][C:10]([H:22])([H:23])[n:12]2[c:6]([c:7]([c:5]([n:11]2)[H:20])[N:13]([H:24])[H:25])[H:21])[Cl:15])[H:19])[H:17]', inchi_key='BVGLCOCXWJCHGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435010', cmiles='[H:16][c:1]1[c:2]([c:4]([c:9]([c:8]([c:3]1[H:18])[O:14][C:10]([H:22])([H:23])[n:12]2[c:6]([c:7]([c:5]([n:11]2)[H:20])[N:13]([H:24])[H:25])[H:21])[Cl:15])[H:19])[H:17]', inchi_key='BVGLCOCXWJCHGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435011', cmiles='[H:16][c:1]1[c:2]([c:4]([c:9]([c:8]([c:3]1[H:18])[O:14][C:10]([H:22])([H:23])[n:12]2[c:6]([c:7]([c:5]([n:11]2)[H:20])[N:13]([H:24])[H:25])[H:21])[Cl:15])[H:19])[H:17]', inchi_key='BVGLCOCXWJCHGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435012', cmiles='[H:16][c:1]1[c:2]([c:4]([c:9]([c:8]([c:3]1[H:18])[O:14][C:10]([H:22])([H:23])[n:12]2[c:6]([c:7]([c:5]([n:11]2)[H:20])[N:13]([H:24])[H:25])[H:21])[Cl:15])[H:19])[H:17]', inchi_key='BVGLCOCXWJCHGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435013', cmiles='[H:16][c:1]1[c:2]([c:4]([c:9]([c:8]([c:3]1[H:18])[O:14][C:10]([H:22])([H:23])[n:12]2[c:6]([c:7]([c:5]([n:11]2)[H:20])[N:13]([H:24])[H:25])[H:21])[Cl:15])[H:19])[H:17]', inchi_key='BVGLCOCXWJCHGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435014', cmiles='[H:16][c:1]1[c:2]([c:4]([c:9]([c:8]([c:3]1[H:18])[O:14][C:10]([H:22])([H:23])[n:12]2[c:6]([c:7]([c:5]([n:11]2)[H:20])[N:13]([H:24])[H:25])[H:21])[Cl:15])[H:19])[H:17]', inchi_key='BVGLCOCXWJCHGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435015', cmiles='[H:16][c:1]1[c:2]([c:4]([c:9]([c:8]([c:3]1[H:18])[O:14][C:10]([H:22])([H:23])[n:12]2[c:6]([c:7]([c:5]([n:11]2)[H:20])[N:13]([H:24])[H:25])[H:21])[Cl:15])[H:19])[H:17]', inchi_key='BVGLCOCXWJCHGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435016', cmiles='[H:16][c:1]1[c:2]([c:4]([c:9]([c:8]([c:3]1[H:18])[O:14][C:10]([H:22])([H:23])[n:12]2[c:6]([c:7]([c:5]([n:11]2)[H:20])[N:13]([H:24])[H:25])[H:21])[Cl:15])[H:19])[H:17]', inchi_key='BVGLCOCXWJCHGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435017', cmiles='[H:16][c:1]1[c:2]([c:4]([c:9]([c:8]([c:3]1[H:18])[O:14][C:10]([H:22])([H:23])[n:12]2[c:6]([c:7]([c:5]([n:11]2)[H:20])[N:13]([H:24])[H:25])[H:21])[Cl:15])[H:19])[H:17]', inchi_key='BVGLCOCXWJCHGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435018', cmiles='[H:16][c:1]1[c:2]([c:4]([c:9]([c:8]([c:3]1[H:18])[O:14][C:10]([H:22])([H:23])[n:12]2[c:6]([c:7]([c:5]([n:11]2)[H:20])[N:13]([H:24])[H:25])[H:21])[Cl:15])[H:19])[H:17]', inchi_key='BVGLCOCXWJCHGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435019', cmiles='[H:16][c:1]1[c:2]([c:4]([c:9]([c:8]([c:3]1[H:18])[O:14][C:10]([H:22])([H:23])[n:12]2[c:6]([c:7]([c:5]([n:11]2)[H:20])[N:13]([H:24])[H:25])[H:21])[Cl:15])[H:19])[H:17]', inchi_key='BVGLCOCXWJCHGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435020', cmiles='[H:16][c:1]1[c:2]([c:4]([c:9]([c:8]([c:3]1[H:18])[O:14][C:10]([H:22])([H:23])[n:12]2[c:6]([c:7]([c:5]([n:11]2)[H:20])[N:13]([H:24])[H:25])[H:21])[Cl:15])[H:19])[H:17]', inchi_key='BVGLCOCXWJCHGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435021', cmiles='[H:16][c:1]1[c:2]([c:4]([c:9]([c:8]([c:3]1[H:18])[O:14][C:10]([H:22])([H:23])[n:12]2[c:6]([c:7]([c:5]([n:11]2)[H:20])[N:13]([H:24])[H:25])[H:21])[Cl:15])[H:19])[H:17]', inchi_key='BVGLCOCXWJCHGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435022', cmiles='[H:16][c:1]1[c:2]([c:4]([c:9]([c:8]([c:3]1[H:18])[O:14][C:10]([H:22])([H:23])[n:12]2[c:6]([c:7]([c:5]([n:11]2)[H:20])[N:13]([H:24])[H:25])[H:21])[Cl:15])[H:19])[H:17]', inchi_key='BVGLCOCXWJCHGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435023', cmiles='[H:16][c:1]1[c:2]([c:4]([c:9]([c:8]([c:3]1[H:18])[O:14][C:10]([H:22])([H:23])[n:12]2[c:6]([c:7]([c:5]([n:11]2)[H:20])[N:13]([H:24])[H:25])[H:21])[Cl:15])[H:19])[H:17]', inchi_key='BVGLCOCXWJCHGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435024', cmiles='[H:16][c:1]1[c:2]([c:4]([c:9]([c:8]([c:3]1[H:18])[O:14][C:10]([H:22])([H:23])[n:12]2[c:6]([c:7]([c:5]([n:11]2)[H:20])[N:13]([H:24])[H:25])[H:21])[Cl:15])[H:19])[H:17]', inchi_key='BVGLCOCXWJCHGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435025', cmiles='[H:16][c:1]1[c:2]([c:4]([c:9]([c:8]([c:3]1[H:18])[O:14][C:10]([H:22])([H:23])[n:12]2[c:6]([c:7]([c:5]([n:11]2)[H:20])[N:13]([H:24])[H:25])[H:21])[Cl:15])[H:19])[H:17]', inchi_key='BVGLCOCXWJCHGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435026', cmiles='[H:16][c:1]1[c:2]([c:6]2[c:4]([c:3]([c:5]1[O:10][C:8]([F:11])([F:12])[F:13])[H:18])[n:9][c:7]([s:14]2)[S:15][H:19])[H:17]', inchi_key='FDHNATDQODTQBI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435027', cmiles='[H:16][c:1]1[c:2]([c:6]2[c:4]([c:3]([c:5]1[O:10][C:8]([F:11])([F:12])[F:13])[H:18])[n:9][c:7]([s:14]2)[S:15][H:19])[H:17]', inchi_key='FDHNATDQODTQBI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435028', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[F:14])[F:15])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[H:17]', inchi_key='HGHVKEVZFZSIJN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435029', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[F:14])[F:15])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[H:17]', inchi_key='HGHVKEVZFZSIJN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435030', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[F:14])[F:15])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[H:17]', inchi_key='HGHVKEVZFZSIJN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435031', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[F:14])[F:15])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[H:17]', inchi_key='HGHVKEVZFZSIJN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435032', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[F:14])[F:15])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[H:17]', inchi_key='HGHVKEVZFZSIJN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435033', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[F:14])[F:15])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[H:17]', inchi_key='HGHVKEVZFZSIJN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435034', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[F:14])[F:15])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[H:17]', inchi_key='HGHVKEVZFZSIJN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435035', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[F:14])[F:15])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[H:17]', inchi_key='HGHVKEVZFZSIJN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435036', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[F:14])[F:15])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[H:17]', inchi_key='HGHVKEVZFZSIJN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435037', cmiles='[H:15][c:1]1[c:2]([c:4]([o:13][c:3]1[C@@:7]2([C:6]([O:14][C:5](=[O:11])[N:8]2[H:20])([H:17])[H:18])[H:19])[N+:9](=[O:12])[O-:10])[H:16]', inchi_key='NYKXEZPTLXAYIH-BYPYZUCNSA-N'), OptimizationResult(type='optimization', record_id='18435038', cmiles='[H:15][c:1]1[c:2]([c:4]([o:13][c:3]1[C@@:7]2([C:6]([O:14][C:5](=[O:11])[N:8]2[H:20])([H:17])[H:18])[H:19])[N+:9](=[O:12])[O-:10])[H:16]', inchi_key='NYKXEZPTLXAYIH-BYPYZUCNSA-N'), OptimizationResult(type='optimization', record_id='18435039', cmiles='[H:22][c:1]1[c:6]([c:12]([c:7]([c:10]2[c:8]1[n:16][c:13]([n:19]2[C:14]([H:29])([H:30])[H:31])/[N:18]=[N:17]\\[c:9]3[c:2]([c:4]([c:11]([c:5]([c:3]3[H:24])[H:26])[O:20][C:15]([H:32])([H:33])[H:34])[H:25])[H:23])[H:28])[Br:21])[H:27]', inchi_key='FZNBIBWHUXFOMF-HNENSFHCSA-N'), OptimizationResult(type='optimization', record_id='18435040', cmiles='[H:22][c:1]1[c:6]([c:12]([c:7]([c:10]2[c:8]1[n:16][c:13]([n:19]2[C:14]([H:29])([H:30])[H:31])/[N:18]=[N:17]\\[c:9]3[c:2]([c:4]([c:11]([c:5]([c:3]3[H:24])[H:26])[O:20][C:15]([H:32])([H:33])[H:34])[H:25])[H:23])[H:28])[Br:21])[H:27]', inchi_key='FZNBIBWHUXFOMF-HNENSFHCSA-N'), OptimizationResult(type='optimization', record_id='18435041', cmiles='[H:15][c:1]1[c:2]([c:8]([c:3]([c:6]2[c:5]1[c:7]([c:4]([n:11]([c:9]2=[O:12])[H:22])[H:18])[O:13][C:10]([H:19])([H:20])[H:21])[H:17])[Cl:14])[H:16]', inchi_key='JLRCBNLADGATRC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435042', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435043', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435044', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435045', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435060', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435061', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435062', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435063', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435064', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435065', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435066', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435067', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435068', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435069', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435070', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435071', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435072', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435073', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435074', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435075', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435076', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435077', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435078', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435079', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435080', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435081', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435082', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435083', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435092', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435093', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435094', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435095', cmiles='[H:25][c:1]1[c:2]([c:4]([c:9]2[c:7]([c:3]1[H:27])[C:14]([C:16]([N:20]2[C:13](=[O:21])[C:19]([H:41])([H:42])[c:8]3[c:5]([c:10]4[c:11]([c:12]([c:6]3[H:30])[Cl:24])[O:23][C:18]([C:15]([C:17]([O:22]4)([H:37])[H:38])([H:33])[H:34])([H:39])[H:40])[H:29])([H:35])[H:36])([H:31])[H:32])[H:28])[H:26]', inchi_key='DUVLOBWJCHABJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435096', cmiles='[H:14][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[C:7](=[O:11])[C:10]2([C:8]([C:9]2([H:19])[H:20])([H:17])[H:18])[H:21])[F:12])[H:16])[Br:13])[H:15]', inchi_key='NULDLBYCYVZYLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435097', cmiles='[H:14][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[C:7](=[O:11])[C:10]2([C:8]([C:9]2([H:19])[H:20])([H:17])[H:18])[H:21])[F:12])[H:16])[Br:13])[H:15]', inchi_key='NULDLBYCYVZYLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435098', cmiles='[H:14][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[C:7](=[O:11])[C:10]2([C:8]([C:9]2([H:19])[H:20])([H:17])[H:18])[H:21])[F:12])[H:16])[Br:13])[H:15]', inchi_key='NULDLBYCYVZYLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435099', cmiles='[H:14][c:1]1[c:2]([c:6]([c:5]([c:3]([c:4]1[N:10]([H:22])[C:7](=[O:11])[C:9]([H:19])([H:20])[H:21])[C:8]([H:16])([H:17])[H:18])[Cl:12])[Br:13])[H:15]', inchi_key='KKYLGFXKQCOIOC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435100', cmiles='[H:12][c:1]1[c:3]([c:2]([n:9][c:4]([n:8]1)[C:5](=[O:10])[C:7]([H:17])([H:18])[C:6]([H:14])([H:15])[H:16])[H:13])[Br:11]', inchi_key='KADOUKMPZXRWKI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435101', cmiles='[H:12][c:1]1[c:3]([c:2]([n:9][c:4]([n:8]1)[C:5](=[O:10])[C:7]([H:17])([H:18])[C:6]([H:14])([H:15])[H:16])[H:13])[Br:11]', inchi_key='KADOUKMPZXRWKI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435102', cmiles='[H:12][c:1]1[c:2]([c:3]([n:9]([n:8]1)[C:7]([H:19])([H:20])[C:4](=[O:10])[C:6]([H:16])([H:17])[H:18])[C:5]([H:13])([H:14])[H:15])[I:11]', inchi_key='JSGPKDSTYVRKAL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435103', cmiles='[H:12][c:1]1[c:2]([c:3]([n:9]([n:8]1)[C:7]([H:19])([H:20])[C:4](=[O:10])[C:6]([H:16])([H:17])[H:18])[C:5]([H:13])([H:14])[H:15])[I:11]', inchi_key='JSGPKDSTYVRKAL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435104', cmiles='[H:12][c:1]1[c:2]([c:3]([n:9]([n:8]1)[C:7]([H:19])([H:20])[C:4](=[O:10])[C:6]([H:16])([H:17])[H:18])[C:5]([H:13])([H:14])[H:15])[I:11]', inchi_key='JSGPKDSTYVRKAL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435105', cmiles='[H:12][c:1]1[c:2]([c:3]([n:9]([n:8]1)[C:7]([H:19])([H:20])[C:4](=[O:10])[C:6]([H:16])([H:17])[H:18])[C:5]([H:13])([H:14])[H:15])[I:11]', inchi_key='JSGPKDSTYVRKAL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435106', cmiles='[H:13][c:1]1[c:2]([c:6]([c:3]([c:5]2=[N:9][C:7](=[O:12])[C:8]([N:10]=[c:4]12)([H:16])[H:17])[H:15])[N:11]([H:18])[H:19])[H:14]', inchi_key='CTGAJAPITKZSAW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435107', cmiles='[H:14][c:1]1[c:2]([c:6]([c:5]([c:3]([c:4]1[C:7](=[O:12])[C:9]([H:20])([H:21])[H:22])[H:16])[C:8]([H:17])([H:18])[H:19])[O:13][C:11]([H:26])([H:27])[C:10]([H:23])([H:24])[H:25])[H:15]', inchi_key='BHTAQCNFJDHCGG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435108', cmiles='[H:14][c:1]1[c:2]([c:6]([c:5]([c:3]([c:4]1[C:7](=[O:12])[C:9]([H:20])([H:21])[H:22])[H:16])[C:8]([H:17])([H:18])[H:19])[O:13][C:11]([H:26])([H:27])[C:10]([H:23])([H:24])[H:25])[H:15]', inchi_key='BHTAQCNFJDHCGG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435109', cmiles='[H:14][c:1]1[c:2]([c:6]([c:5]([c:3]([c:4]1[C:7](=[O:12])[C:9]([H:20])([H:21])[H:22])[H:16])[C:8]([H:17])([H:18])[H:19])[O:13][C:11]([H:26])([H:27])[C:10]([H:23])([H:24])[H:25])[H:15]', inchi_key='BHTAQCNFJDHCGG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435136', cmiles='[H:14][c:1]1[c:2]([c:6]([c:5]([c:3]([c:4]1[C:7](=[O:12])[C:9]([H:20])([H:21])[H:22])[H:16])[C:8]([H:17])([H:18])[H:19])[O:13][C:11]([H:26])([H:27])[C:10]([H:23])([H:24])[H:25])[H:15]', inchi_key='BHTAQCNFJDHCGG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435137', cmiles='[H:24][c:1]1[c:2]([c:4]([c:5]2[c:6]([c:3]1[H:26])[s:23][c:7]([n:20]2)[N:21]([H:45])[C:8](=[O:22])[C:18]34[C:12]([C:15]5([C:9]([C:16]([C:13]3([H:35])[H:36])([C:11]([C:17]([C:10]5([H:29])[H:30])([C:14]4([H:37])[H:38])[H:41])([H:31])[H:32])[H:40])([H:27])[H:28])[H:39])([H:33])[H:34])[C:19]([H:42])([H:43])[H:44])[H:25]', inchi_key='QTLVCHWAAZMDDA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435138', cmiles='[H:24][c:1]1[c:2]([c:4]([c:5]2[c:6]([c:3]1[H:26])[s:23][c:7]([n:20]2)[N:21]([H:45])[C:8](=[O:22])[C:18]34[C:12]([C:15]5([C:9]([C:16]([C:13]3([H:35])[H:36])([C:11]([C:17]([C:10]5([H:29])[H:30])([C:14]4([H:37])[H:38])[H:41])([H:31])[H:32])[H:40])([H:27])[H:28])[H:39])([H:33])[H:34])[C:19]([H:42])([H:43])[H:44])[H:25]', inchi_key='QTLVCHWAAZMDDA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435139', cmiles='[H:15][c:1]1[c:6]([c:5]2[c:3]([c:4]([c:2]([n:11]2[H:20])[H:16])[C:8](=[O:12])[C:9]([H:17])([H:18])[H:19])[c:7]([n:10]1)[Br:14])[Br:13]', inchi_key='LAUSOQGKWCNAOK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435140', cmiles='[H:16][c:1]1[c:3]([c:5]([c:2]([c:6]([c:4]1[N+:10](=[O:13])[O-:11])[F:15])[H:17])[O:14][H:22])[N:9]([H:21])[C:7](=[O:12])[C:8]([H:18])([H:19])[H:20]', inchi_key='QFASYSYRLMXXMN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435141', cmiles='[H:16][c:1]1[c:3]([c:5]([c:2]([c:6]([c:4]1[N+:10](=[O:13])[O-:11])[F:15])[H:17])[O:14][H:22])[N:9]([H:21])[C:7](=[O:12])[C:8]([H:18])([H:19])[H:20]', inchi_key='QFASYSYRLMXXMN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435142', cmiles='[H:14][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:16])[N:10]([H:23])[H:24])[O:12][C:8]([H:17])([H:18])[H:19])[C:7](=[O:11])[O:13][C:9]([H:20])([H:21])[H:22])[H:15]', inchi_key='MHHWLOGSLYQTTL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435143', cmiles='[H:14][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:16])[N:10]([H:23])[H:24])[O:12][C:8]([H:17])([H:18])[H:19])[C:7](=[O:11])[O:13][C:9]([H:20])([H:21])[H:22])[H:15]', inchi_key='MHHWLOGSLYQTTL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435144', cmiles='[H:16][c:1]1[c:2]([c:8]([c:6]([c:3]([c:7]1[F:13])[H:18])[C:10](=[O:12])[c:9]2[n:11][c:4]([c:5]([s:15]2)[H:20])[H:19])[F:14])[H:17]', inchi_key='ZKKMBJVFGBRCBZ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435145', cmiles='[H:16][c:1]1[c:2]([c:8]([c:6]([c:3]([c:7]1[F:13])[H:18])[C:10](=[O:12])[c:9]2[n:11][c:4]([c:5]([s:15]2)[H:20])[H:19])[F:14])[H:17]', inchi_key='ZKKMBJVFGBRCBZ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435146', cmiles='[H:16][c:1]1[c:2]([c:8]([c:6]([c:3]([c:7]1[F:13])[H:18])[C:10](=[O:12])[c:9]2[n:11][c:4]([c:5]([s:15]2)[H:20])[H:19])[F:14])[H:17]', inchi_key='ZKKMBJVFGBRCBZ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435147', cmiles='[H:16][c:1]1[c:2]([c:8]([c:6]([c:3]([c:7]1[F:13])[H:18])[C:10](=[O:12])[c:9]2[n:11][c:4]([c:5]([s:15]2)[H:20])[H:19])[F:14])[H:17]', inchi_key='ZKKMBJVFGBRCBZ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435148', cmiles='[H:16][c:1]1[c:2]([c:8]([c:6]([c:3]([c:7]1[F:13])[H:18])[C:10](=[O:12])[c:9]2[n:11][c:4]([c:5]([s:15]2)[H:20])[H:19])[F:14])[H:17]', inchi_key='ZKKMBJVFGBRCBZ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435149', cmiles='[H:16][c:1]1[c:2]([c:8]([c:6]([c:3]([c:7]1[F:13])[H:18])[C:10](=[O:12])[c:9]2[n:11][c:4]([c:5]([s:15]2)[H:20])[H:19])[F:14])[H:17]', inchi_key='ZKKMBJVFGBRCBZ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435150', cmiles='[H:16][c:1]1[c:2]([c:8]([c:6]([c:3]([c:7]1[F:13])[H:18])[C:10](=[O:12])[c:9]2[n:11][c:4]([c:5]([s:15]2)[H:20])[H:19])[F:14])[H:17]', inchi_key='ZKKMBJVFGBRCBZ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435151', cmiles='[H:15][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:17])[O:10][C:8]([O:11]2)([F:13])[F:14])[C:7](=[O:9])[O:12][H:18])[H:16]', inchi_key='ZGAQVJDFFVTWJK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435152', cmiles='[H:15][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:17])[O:10][C:8]([O:11]2)([F:13])[F:14])[C:7](=[O:9])[O:12][H:18])[H:16]', inchi_key='ZGAQVJDFFVTWJK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435153', cmiles='[H:21][c:1]1[n:15][c:4]([c:5]([s:20]1)[C:14]([H:35])([H:36])[c:6]2[n:16][c:2]3[c:3]([n:17]2[H:37])[C:8]([C:10]([C:9]([N:18]([C:7]3=[O:19])[H:38])([H:24])[H:25])([C:12]([H:29])([H:30])[H:31])[C:13]([H:32])([H:33])[H:34])([H:22])[H:23])[C:11]([H:26])([H:27])[H:28]', inchi_key='YOZKQLOCBPQIDD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435154', cmiles='[H:21][c:1]1[n:15][c:4]([c:5]([s:20]1)[C:14]([H:35])([H:36])[c:6]2[n:16][c:2]3[c:3]([n:17]2[H:37])[C:8]([C:10]([C:9]([N:18]([C:7]3=[O:19])[H:38])([H:24])[H:25])([C:12]([H:29])([H:30])[H:31])[C:13]([H:32])([H:33])[H:34])([H:22])[H:23])[C:11]([H:26])([H:27])[H:28]', inchi_key='YOZKQLOCBPQIDD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435155', cmiles='[H:21][c:1]1[n:15][c:4]([c:5]([s:20]1)[C:14]([H:35])([H:36])[c:6]2[n:16][c:2]3[c:3]([n:17]2[H:37])[C:8]([C:10]([C:9]([N:18]([C:7]3=[O:19])[H:38])([H:24])[H:25])([C:12]([H:29])([H:30])[H:31])[C:13]([H:32])([H:33])[H:34])([H:22])[H:23])[C:11]([H:26])([H:27])[H:28]', inchi_key='YOZKQLOCBPQIDD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435156', cmiles='[H:21][c:1]1[n:15][c:4]([c:5]([s:20]1)[C:14]([H:35])([H:36])[c:6]2[n:16][c:2]3[c:3]([n:17]2[H:37])[C:8]([C:10]([C:9]([N:18]([C:7]3=[O:19])[H:38])([H:24])[H:25])([C:12]([H:29])([H:30])[H:31])[C:13]([H:32])([H:33])[H:34])([H:22])[H:23])[C:11]([H:26])([H:27])[H:28]', inchi_key='YOZKQLOCBPQIDD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435157', cmiles='[H:21][c:1]1[n:15][c:4]([c:5]([s:20]1)[C:14]([H:35])([H:36])[c:6]2[n:16][c:2]3[c:3]([n:17]2[H:37])[C:8]([C:10]([C:9]([N:18]([C:7]3=[O:19])[H:38])([H:24])[H:25])([C:12]([H:29])([H:30])[H:31])[C:13]([H:32])([H:33])[H:34])([H:22])[H:23])[C:11]([H:26])([H:27])[H:28]', inchi_key='YOZKQLOCBPQIDD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435158', cmiles='[H:21][c:1]1[n:15][c:4]([c:5]([s:20]1)[C:14]([H:35])([H:36])[c:6]2[n:16][c:2]3[c:3]([n:17]2[H:37])[C:8]([C:10]([C:9]([N:18]([C:7]3=[O:19])[H:38])([H:24])[H:25])([C:12]([H:29])([H:30])[H:31])[C:13]([H:32])([H:33])[H:34])([H:22])[H:23])[C:11]([H:26])([H:27])[H:28]', inchi_key='YOZKQLOCBPQIDD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435173', cmiles='[H:21][c:1]1[n:15][c:4]([c:5]([s:20]1)[C:14]([H:35])([H:36])[c:6]2[n:16][c:2]3[c:3]([n:17]2[H:37])[C:8]([C:10]([C:9]([N:18]([C:7]3=[O:19])[H:38])([H:24])[H:25])([C:12]([H:29])([H:30])[H:31])[C:13]([H:32])([H:33])[H:34])([H:22])[H:23])[C:11]([H:26])([H:27])[H:28]', inchi_key='YOZKQLOCBPQIDD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435174', cmiles='[H:21][c:1]1[n:15][c:4]([c:5]([s:20]1)[C:14]([H:35])([H:36])[c:6]2[n:16][c:2]3[c:3]([n:17]2[H:37])[C:8]([C:10]([C:9]([N:18]([C:7]3=[O:19])[H:38])([H:24])[H:25])([C:12]([H:29])([H:30])[H:31])[C:13]([H:32])([H:33])[H:34])([H:22])[H:23])[C:11]([H:26])([H:27])[H:28]', inchi_key='YOZKQLOCBPQIDD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435175', cmiles='[H:21][c:1]1[n:15][c:4]([c:5]([s:20]1)[C:14]([H:35])([H:36])[c:6]2[n:16][c:2]3[c:3]([n:17]2[H:37])[C:8]([C:10]([C:9]([N:18]([C:7]3=[O:19])[H:38])([H:24])[H:25])([C:12]([H:29])([H:30])[H:31])[C:13]([H:32])([H:33])[H:34])([H:22])[H:23])[C:11]([H:26])([H:27])[H:28]', inchi_key='YOZKQLOCBPQIDD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435176', cmiles='[H:21][c:1]1[n:15][c:4]([c:5]([s:20]1)[C:14]([H:35])([H:36])[c:6]2[n:16][c:2]3[c:3]([n:17]2[H:37])[C:8]([C:10]([C:9]([N:18]([C:7]3=[O:19])[H:38])([H:24])[H:25])([C:12]([H:29])([H:30])[H:31])[C:13]([H:32])([H:33])[H:34])([H:22])[H:23])[C:11]([H:26])([H:27])[H:28]', inchi_key='YOZKQLOCBPQIDD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435177', cmiles='[H:21][c:1]1[n:15][c:4]([c:5]([s:20]1)[C:14]([H:35])([H:36])[c:6]2[n:16][c:2]3[c:3]([n:17]2[H:37])[C:8]([C:10]([C:9]([N:18]([C:7]3=[O:19])[H:38])([H:24])[H:25])([C:12]([H:29])([H:30])[H:31])[C:13]([H:32])([H:33])[H:34])([H:22])[H:23])[C:11]([H:26])([H:27])[H:28]', inchi_key='YOZKQLOCBPQIDD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435178', cmiles='[H:21][c:1]1[n:15][c:4]([c:5]([s:20]1)[C:14]([H:35])([H:36])[c:6]2[n:16][c:2]3[c:3]([n:17]2[H:37])[C:8]([C:10]([C:9]([N:18]([C:7]3=[O:19])[H:38])([H:24])[H:25])([C:12]([H:29])([H:30])[H:31])[C:13]([H:32])([H:33])[H:34])([H:22])[H:23])[C:11]([H:26])([H:27])[H:28]', inchi_key='YOZKQLOCBPQIDD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435179', cmiles='[H:21][c:1]1[n:15][c:4]([c:5]([s:20]1)[C:14]([H:35])([H:36])[c:6]2[n:16][c:2]3[c:3]([n:17]2[H:37])[C:8]([C:10]([C:9]([N:18]([C:7]3=[O:19])[H:38])([H:24])[H:25])([C:12]([H:29])([H:30])[H:31])[C:13]([H:32])([H:33])[H:34])([H:22])[H:23])[C:11]([H:26])([H:27])[H:28]', inchi_key='YOZKQLOCBPQIDD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435180', cmiles='[H:17][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[N+:11](=[O:14])[O-:12])[C@:9]2([C:8]([O:15][C:7](=[O:13])[N:10]2[H:23])([H:20])[H:21])[H:22])[H:19])[Cl:16])[H:18]', inchi_key='KUEVBIUVYAXARJ-SSDOTTSWSA-N'), OptimizationResult(type='optimization', record_id='18435181', cmiles='[H:19][c:1]1[c:2]([c:8]([c:14]2[c:10]([c:3]1[H:21])[c:13]([c:9]([n:18]2[H:31])[H:27])/[N:17]=[N:16]/[c:12]3[c:6]([c:4]([c:11]([c:5]([c:7]3[H:25])[H:23])[C:15]([H:28])([H:29])[H:30])[H:22])[H:24])[H:26])[H:20]', inchi_key='MMENFDXGEOAXRJ-ISLYRVAYSA-N'), OptimizationResult(type='optimization', record_id='18435182', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435183', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435184', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435185', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435186', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435187', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435188', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435189', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435190', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435191', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435192', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435193', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435194', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435195', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435214', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435215', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435216', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435217', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435218', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435219', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435220', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435250', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435251', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435252', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435253', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435254', cmiles='[H:21][c:1]1[c:4]([c:12]([c:6]([c:11]([c:7]1[C:13](=[O:15])[O:18][c:10]2[c:3]([c:2]([c:8]3[c:9]([c:5]2[H:25])[O:17][C:14]([O:16]3)([H:27])[H:28])[H:22])[H:23])[F:19])[H:26])[Cl:20])[H:24]', inchi_key='CAIKHOKWTQADLM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435255', cmiles='[H:21][c:1]1[c:2]([n:16][c:4]([n:17][c:3]1[N@@:18]2[C:6]([C@@:8]([C:7]([C:5]2([H:22])[H:23])([C:9]([H:26])([H:27])[H:28])[C:10]([H:29])([H:30])[H:31])([C:11]([H:32])([H:33])[H:34])[O:20][H:46])([H:24])[H:25])[N:19]([C:13]([H:38])([H:39])[H:40])[C:14]([H:41])([H:42])[H:43])[C:15]([H:44])([H:45])[C:12]([H:35])([H:36])[H:37]', inchi_key='DVPZSRQYVQLDPD-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18435256', cmiles='[H:21][c:1]1[c:2]([n:16][c:4]([n:17][c:3]1[N@@:18]2[C:6]([C@@:8]([C:7]([C:5]2([H:22])[H:23])([C:9]([H:26])([H:27])[H:28])[C:10]([H:29])([H:30])[H:31])([C:11]([H:32])([H:33])[H:34])[O:20][H:46])([H:24])[H:25])[N:19]([C:13]([H:38])([H:39])[H:40])[C:14]([H:41])([H:42])[H:43])[C:15]([H:44])([H:45])[C:12]([H:35])([H:36])[H:37]', inchi_key='DVPZSRQYVQLDPD-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18435293', cmiles='[H:21][c:1]1[c:2]([n:16][c:4]([n:17][c:3]1[N@@:18]2[C:6]([C@@:8]([C:7]([C:5]2([H:22])[H:23])([C:9]([H:26])([H:27])[H:28])[C:10]([H:29])([H:30])[H:31])([C:11]([H:32])([H:33])[H:34])[O:20][H:46])([H:24])[H:25])[N:19]([C:13]([H:38])([H:39])[H:40])[C:14]([H:41])([H:42])[H:43])[C:15]([H:44])([H:45])[C:12]([H:35])([H:36])[H:37]', inchi_key='DVPZSRQYVQLDPD-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18435294', cmiles='[H:21][c:1]1[c:2]([n:16][c:4]([n:17][c:3]1[N@@:18]2[C:6]([C@@:8]([C:7]([C:5]2([H:22])[H:23])([C:9]([H:26])([H:27])[H:28])[C:10]([H:29])([H:30])[H:31])([C:11]([H:32])([H:33])[H:34])[O:20][H:46])([H:24])[H:25])[N:19]([C:13]([H:38])([H:39])[H:40])[C:14]([H:41])([H:42])[H:43])[C:15]([H:44])([H:45])[C:12]([H:35])([H:36])[H:37]', inchi_key='DVPZSRQYVQLDPD-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18435295', cmiles='[H:21][c:1]1[c:2]([n:16][c:4]([n:17][c:3]1[N@@:18]2[C:6]([C@@:8]([C:7]([C:5]2([H:22])[H:23])([C:9]([H:26])([H:27])[H:28])[C:10]([H:29])([H:30])[H:31])([C:11]([H:32])([H:33])[H:34])[O:20][H:46])([H:24])[H:25])[N:19]([C:13]([H:38])([H:39])[H:40])[C:14]([H:41])([H:42])[H:43])[C:15]([H:44])([H:45])[C:12]([H:35])([H:36])[H:37]', inchi_key='DVPZSRQYVQLDPD-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18435296', cmiles='[H:21][c:1]1[c:2]([n:16][c:4]([n:17][c:3]1[N@@:18]2[C:6]([C@@:8]([C:7]([C:5]2([H:22])[H:23])([C:9]([H:26])([H:27])[H:28])[C:10]([H:29])([H:30])[H:31])([C:11]([H:32])([H:33])[H:34])[O:20][H:46])([H:24])[H:25])[N:19]([C:13]([H:38])([H:39])[H:40])[C:14]([H:41])([H:42])[H:43])[C:15]([H:44])([H:45])[C:12]([H:35])([H:36])[H:37]', inchi_key='DVPZSRQYVQLDPD-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18435297', cmiles='[H:15][c:1]1[c:2]([c:7]2[c:5]([c:3]([c:6]1[O:10][C:8]([F:11])([F:12])[F:13])[H:17])[n:9][c:4]([s:14]2)[H:18])[H:16]', inchi_key='KUZWMMJBAFVTFG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435316', cmiles='[H:15][c:1]1[c:2]([c:7]2[c:5]([c:3]([c:6]1[O:10][C:8]([F:11])([F:12])[F:13])[H:17])[n:9][c:4]([s:14]2)[H:18])[H:16]', inchi_key='KUZWMMJBAFVTFG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435317', cmiles='[H:13][c:1]1[c:2]([c:4]([o:11][c:3]1[C@:8]2([C:7]([O:12][C:6]([C:5]([N:10]2[H:25])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])[H:21])[C:9]([H:22])([H:23])[H:24])[H:14]', inchi_key='KBDCVIFDYRXZEJ-MRVPVSSYSA-N'), OptimizationResult(type='optimization', record_id='18435318', cmiles='[H:13][c:1]1[c:2]([c:4]([o:11][c:3]1[C@:8]2([C:7]([O:12][C:6]([C:5]([N:10]2[H:25])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])[H:21])[C:9]([H:22])([H:23])[H:24])[H:14]', inchi_key='KBDCVIFDYRXZEJ-MRVPVSSYSA-N'), OptimizationResult(type='optimization', record_id='18435319', cmiles='[H:17][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[C@@:9]2([C:8]([O:15][C:7](=[O:13])[N:10]2[H:23])([H:20])[H:21])[H:22])[N+:11](=[O:14])[O-:12])[H:19])[F:16])[H:18]', inchi_key='DTJYQYROGAHMRF-ZETCQYMHSA-N'), OptimizationResult(type='optimization', record_id='18435320', cmiles='[H:17][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[C@@:9]2([C:8]([O:15][C:7](=[O:13])[N:10]2[H:23])([H:20])[H:21])[H:22])[N+:11](=[O:14])[O-:12])[H:19])[F:16])[H:18]', inchi_key='DTJYQYROGAHMRF-ZETCQYMHSA-N'), OptimizationResult(type='optimization', record_id='18435321', cmiles='[H:17][c:1]1[c:3]([c:5]([c:4]([c:2]([c:6]1[Br:16])[H:18])[F:14])[F:15])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23]', inchi_key='OYTGDLHBJYHVHA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435322', cmiles='[H:17][c:1]1[c:3]([c:5]([c:4]([c:2]([c:6]1[Br:16])[H:18])[F:14])[F:15])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23]', inchi_key='OYTGDLHBJYHVHA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435342', cmiles='[H:17][c:1]1[c:3]([c:5]([c:4]([c:2]([c:6]1[Br:16])[H:18])[F:14])[F:15])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23]', inchi_key='OYTGDLHBJYHVHA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435343', cmiles='[H:17][c:1]1[c:3]([c:5]([c:4]([c:2]([c:6]1[Br:16])[H:18])[F:14])[F:15])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23]', inchi_key='OYTGDLHBJYHVHA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435344', cmiles='[H:17][c:1]1[c:3]([c:5]([c:4]([c:2]([c:6]1[Br:16])[H:18])[F:14])[F:15])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23]', inchi_key='OYTGDLHBJYHVHA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435345', cmiles='[H:17][c:1]1[c:3]([c:5]([c:4]([c:2]([c:6]1[Br:16])[H:18])[F:14])[F:15])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23]', inchi_key='OYTGDLHBJYHVHA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435346', cmiles='[H:17][c:1]1[c:3]([c:5]([c:4]([c:2]([c:6]1[Br:16])[H:18])[F:14])[F:15])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23]', inchi_key='OYTGDLHBJYHVHA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435347', cmiles='[H:17][c:1]1[c:3]([c:5]([c:4]([c:2]([c:6]1[Br:16])[H:18])[F:14])[F:15])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23]', inchi_key='OYTGDLHBJYHVHA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435348', cmiles='[H:12][c:2]1[c:3]([s:10][c:5]([c:4]1[Br:11])[C@@:7]([H:16])([C:6]([H:14])([H:15])[C:1]#[N:8])[N:9]([H:17])[H:18])[H:13]', inchi_key='RUTPAXTUUKFUJX-ZCFIWIBFSA-N'), OptimizationResult(type='optimization', record_id='18435349', cmiles='[H:12][c:2]1[c:3]([s:10][c:5]([c:4]1[Br:11])[C@@:7]([H:16])([C:6]([H:14])([H:15])[C:1]#[N:8])[N:9]([H:17])[H:18])[H:13]', inchi_key='RUTPAXTUUKFUJX-ZCFIWIBFSA-N'), OptimizationResult(type='optimization', record_id='18435350', cmiles='[H:12][c:2]1[c:3]([s:10][c:5]([c:4]1[Br:11])[C@@:7]([H:16])([C:6]([H:14])([H:15])[C:1]#[N:8])[N:9]([H:17])[H:18])[H:13]', inchi_key='RUTPAXTUUKFUJX-ZCFIWIBFSA-N'), OptimizationResult(type='optimization', record_id='18435386', cmiles='[H:12][c:2]1[c:3]([s:10][c:5]([c:4]1[Br:11])[C@@:7]([H:16])([C:6]([H:14])([H:15])[C:1]#[N:8])[N:9]([H:17])[H:18])[H:13]', inchi_key='RUTPAXTUUKFUJX-ZCFIWIBFSA-N'), OptimizationResult(type='optimization', record_id='18435387', cmiles='[H:12][c:2]1[c:3]([s:10][c:5]([c:4]1[Br:11])[C@@:7]([H:16])([C:6]([H:14])([H:15])[C:1]#[N:8])[N:9]([H:17])[H:18])[H:13]', inchi_key='RUTPAXTUUKFUJX-ZCFIWIBFSA-N'), OptimizationResult(type='optimization', record_id='18435388', cmiles='[H:12][c:2]1[c:3]([c:7]([c:5]([c:4]([c:6]1[N:9]=[C:1]=[O:10])[H:14])[C:8]([H:15])([H:16])[H:17])[Cl:11])[H:13]', inchi_key='CXYBLHZWJJNVQE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435389', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435390', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435391', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435392', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435393', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435394', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435395', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435396', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435423', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435424', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435425', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435426', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435427', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435428', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435429', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435430', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435431', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435432', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435433', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435434', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435449', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435450', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435451', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435452', cmiles='[H:22][c:2]1[c:3]([c:5]([c:11]([c:9]([c:4]1[H:24])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](/[H:29])\\[c:10]3[c:6]([c:7]([s:21][c:8]3[H:28])[H:27])[H:26])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:25])[H:23]', inchi_key='UFMPKKOBDWVSEC-JYRVWZFOSA-N'), OptimizationResult(type='optimization', record_id='18435453', cmiles='[H:14][c:1]1[c:2]([c:4]([c:7]2[c:6]([c:3]1[H:16])[c:8]([c:5]([c:9](=[O:12])[n:11]2[H:22])[H:18])[O:13][C:10]([H:19])([H:20])[H:21])[H:17])[H:15]', inchi_key='LJYFMHAOCYPGMX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435454', cmiles='[H:14][c:1]1[c:4]([c:3]([c:6]([c:2]([c:5]1[O:12][C:8]([H:19])([H:20])[H:21])[H:15])[F:13])[C:7]([H:16])([H:17])[H:18])[N+:9](=[O:11])[O-:10]', inchi_key='WZHKFBNIRZIJSH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435455', cmiles='[H:10][c:1]1[c:2]([n:8]([c:3]([n:6]1)/[C:4](=[N:7]/[O:9][H:16])/[H:12])[C:5]([H:13])([H:14])[H:15])[H:11]', inchi_key='UOXZSCQNOHAHIM-QPJJXVBHSA-N'), OptimizationResult(type='optimization', record_id='18435456', cmiles='[H:24][c:1]1[c:2]([c:6]([c:7]([c:3]([c:5]1[C:15]([H:36])([H:37])[H:38])[H:26])[n:20]2[c:9]([c:4]([c:8]([n:18]2)[C:17]([H:42])([H:43])[H:44])/[C:10](=[N:19]\\[N:21]3[C:11]([C:13]([O:22][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:23])[C:16]([H:39])([H:40])[H:41])[H:25]', inchi_key='PFSPKTRHNWGFHG-ODLFYWEKSA-N'), OptimizationResult(type='optimization', record_id='18435457', cmiles='[H:24][c:1]1[c:2]([c:6]([c:7]([c:3]([c:5]1[C:15]([H:36])([H:37])[H:38])[H:26])[n:20]2[c:9]([c:4]([c:8]([n:18]2)[C:17]([H:42])([H:43])[H:44])/[C:10](=[N:19]\\[N:21]3[C:11]([C:13]([O:22][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:23])[C:16]([H:39])([H:40])[H:41])[H:25]', inchi_key='PFSPKTRHNWGFHG-ODLFYWEKSA-N'), OptimizationResult(type='optimization', record_id='18435458', cmiles='[H:24][c:1]1[c:2]([c:6]([c:7]([c:3]([c:5]1[C:15]([H:36])([H:37])[H:38])[H:26])[n:20]2[c:9]([c:4]([c:8]([n:18]2)[C:17]([H:42])([H:43])[H:44])/[C:10](=[N:19]\\[N:21]3[C:11]([C:13]([O:22][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:23])[C:16]([H:39])([H:40])[H:41])[H:25]', inchi_key='PFSPKTRHNWGFHG-ODLFYWEKSA-N'), OptimizationResult(type='optimization', record_id='18435459', cmiles='[H:24][c:1]1[c:2]([c:6]([c:7]([c:3]([c:5]1[C:15]([H:36])([H:37])[H:38])[H:26])[n:20]2[c:9]([c:4]([c:8]([n:18]2)[C:17]([H:42])([H:43])[H:44])/[C:10](=[N:19]\\[N:21]3[C:11]([C:13]([O:22][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:23])[C:16]([H:39])([H:40])[H:41])[H:25]', inchi_key='PFSPKTRHNWGFHG-ODLFYWEKSA-N'), OptimizationResult(type='optimization', record_id='18435460', cmiles='[H:24][c:1]1[c:2]([c:6]([c:7]([c:3]([c:5]1[C:15]([H:36])([H:37])[H:38])[H:26])[n:20]2[c:9]([c:4]([c:8]([n:18]2)[C:17]([H:42])([H:43])[H:44])/[C:10](=[N:19]\\[N:21]3[C:11]([C:13]([O:22][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:23])[C:16]([H:39])([H:40])[H:41])[H:25]', inchi_key='PFSPKTRHNWGFHG-ODLFYWEKSA-N'), OptimizationResult(type='optimization', record_id='18435461', cmiles='[H:24][c:1]1[c:2]([c:6]([c:7]([c:3]([c:5]1[C:15]([H:36])([H:37])[H:38])[H:26])[n:20]2[c:9]([c:4]([c:8]([n:18]2)[C:17]([H:42])([H:43])[H:44])/[C:10](=[N:19]\\[N:21]3[C:11]([C:13]([O:22][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:23])[C:16]([H:39])([H:40])[H:41])[H:25]', inchi_key='PFSPKTRHNWGFHG-ODLFYWEKSA-N'), OptimizationResult(type='optimization', record_id='18435471', cmiles='[H:24][c:1]1[c:2]([c:6]([c:7]([c:3]([c:5]1[C:15]([H:36])([H:37])[H:38])[H:26])[n:20]2[c:9]([c:4]([c:8]([n:18]2)[C:17]([H:42])([H:43])[H:44])/[C:10](=[N:19]\\[N:21]3[C:11]([C:13]([O:22][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:23])[C:16]([H:39])([H:40])[H:41])[H:25]', inchi_key='PFSPKTRHNWGFHG-ODLFYWEKSA-N'), OptimizationResult(type='optimization', record_id='18435507', cmiles='[H:24][c:1]1[c:2]([c:6]([c:7]([c:3]([c:5]1[C:15]([H:36])([H:37])[H:38])[H:26])[n:20]2[c:9]([c:4]([c:8]([n:18]2)[C:17]([H:42])([H:43])[H:44])/[C:10](=[N:19]\\[N:21]3[C:11]([C:13]([O:22][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:23])[C:16]([H:39])([H:40])[H:41])[H:25]', inchi_key='PFSPKTRHNWGFHG-ODLFYWEKSA-N'), OptimizationResult(type='optimization', record_id='18435508', cmiles='[H:16][c:1]1[c:3]([c:6]([c:2]([c:5]([c:4]1[O:13][C:10]([H:23])([H:24])[H:25])[O:14][C:11]([H:26])([H:27])[H:28])[H:17])[Br:15])[C@:9]2([C:7]([C:8]([N:12]2[H:29])([H:20])[H:21])([H:18])[H:19])[H:22]', inchi_key='JDIPIXBHGGUKOR-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='18435509', cmiles='[H:16][c:1]1[c:3]([c:6]([c:2]([c:5]([c:4]1[O:13][C:10]([H:23])([H:24])[H:25])[O:14][C:11]([H:26])([H:27])[H:28])[H:17])[Br:15])[C@:9]2([C:7]([C:8]([N:12]2[H:29])([H:20])[H:21])([H:18])[H:19])[H:22]', inchi_key='JDIPIXBHGGUKOR-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='18435510', cmiles='[H:16][c:1]1[c:3]([c:6]([c:2]([c:5]([c:4]1[O:13][C:10]([H:23])([H:24])[H:25])[O:14][C:11]([H:26])([H:27])[H:28])[H:17])[Br:15])[C@:9]2([C:7]([C:8]([N:12]2[H:29])([H:20])[H:21])([H:18])[H:19])[H:22]', inchi_key='JDIPIXBHGGUKOR-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='18435511', cmiles='[H:18][c:1]1[c:2]([c:7]([c:9]([n:12][c:4]1[H:21])[O:16][H:24])[c:11]2[n:13][c:10]([n:14][o:15]2)[c:8]3[c:3]([c:5]([s:17][c:6]3[H:23])[H:22])[H:20])[H:19]', inchi_key='MLMBZQLCTHUGAO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435512', cmiles='[H:18][c:1]1[c:2]([c:7]([c:9]([n:12][c:4]1[H:21])[O:16][H:24])[c:11]2[n:13][c:10]([n:14][o:15]2)[c:8]3[c:3]([c:5]([s:17][c:6]3[H:23])[H:22])[H:20])[H:19]', inchi_key='MLMBZQLCTHUGAO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435513', cmiles='[H:18][c:1]1[c:2]([c:7]([c:9]([n:12][c:4]1[H:21])[O:16][H:24])[c:11]2[n:13][c:10]([n:14][o:15]2)[c:8]3[c:3]([c:5]([s:17][c:6]3[H:23])[H:22])[H:20])[H:19]', inchi_key='MLMBZQLCTHUGAO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435514', cmiles='[H:18][c:1]1[c:2]([c:7]([c:9]([n:12][c:4]1[H:21])[O:16][H:24])[c:11]2[n:13][c:10]([n:14][o:15]2)[c:8]3[c:3]([c:5]([s:17][c:6]3[H:23])[H:22])[H:20])[H:19]', inchi_key='MLMBZQLCTHUGAO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435515', cmiles='[H:18][c:1]1[c:2]([c:7]([c:9]([n:12][c:4]1[H:21])[O:16][H:24])[c:11]2[n:13][c:10]([n:14][o:15]2)[c:8]3[c:3]([c:5]([s:17][c:6]3[H:23])[H:22])[H:20])[H:19]', inchi_key='MLMBZQLCTHUGAO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435516', cmiles='[H:18][c:1]1[c:2]([c:7]([c:9]([n:12][c:4]1[H:21])[O:16][H:24])[c:11]2[n:13][c:10]([n:14][o:15]2)[c:8]3[c:3]([c:5]([s:17][c:6]3[H:23])[H:22])[H:20])[H:19]', inchi_key='MLMBZQLCTHUGAO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435517', cmiles='[H:18][c:1]1[c:2]([c:7]([c:9]([n:12][c:4]1[H:21])[O:16][H:24])[c:11]2[n:13][c:10]([n:14][o:15]2)[c:8]3[c:3]([c:5]([s:17][c:6]3[H:23])[H:22])[H:20])[H:19]', inchi_key='MLMBZQLCTHUGAO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435518', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:12][C:8]([H:18])([H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[Cl:14])[H:17])[Cl:13])[H:16]', inchi_key='BTOTVAISQCMDLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435519', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:12][C:8]([H:18])([H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[Cl:14])[H:17])[Cl:13])[H:16]', inchi_key='BTOTVAISQCMDLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435520', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:12][C:8]([H:18])([H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[Cl:14])[H:17])[Cl:13])[H:16]', inchi_key='BTOTVAISQCMDLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435521', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:12][C:8]([H:18])([H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[Cl:14])[H:17])[Cl:13])[H:16]', inchi_key='BTOTVAISQCMDLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435522', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:12][C:8]([H:18])([H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[Cl:14])[H:17])[Cl:13])[H:16]', inchi_key='BTOTVAISQCMDLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435523', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:12][C:8]([H:18])([H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[Cl:14])[H:17])[Cl:13])[H:16]', inchi_key='BTOTVAISQCMDLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435524', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:12][C:8]([H:18])([H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[Cl:14])[H:17])[Cl:13])[H:16]', inchi_key='BTOTVAISQCMDLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435525', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:12][C:8]([H:18])([H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[Cl:14])[H:17])[Cl:13])[H:16]', inchi_key='BTOTVAISQCMDLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435526', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:12][C:8]([H:18])([H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[Cl:14])[H:17])[Cl:13])[H:16]', inchi_key='BTOTVAISQCMDLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435527', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:12][C:8]([H:18])([H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[Cl:14])[H:17])[Cl:13])[H:16]', inchi_key='BTOTVAISQCMDLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435528', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:12][C:8]([H:18])([H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[Cl:14])[H:17])[Cl:13])[H:16]', inchi_key='BTOTVAISQCMDLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435529', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:12][C:8]([H:18])([H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[Cl:14])[H:17])[Cl:13])[H:16]', inchi_key='BTOTVAISQCMDLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435530', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:12][C:8]([H:18])([H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[Cl:14])[H:17])[Cl:13])[H:16]', inchi_key='BTOTVAISQCMDLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435531', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:12][C:8]([H:18])([H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[Cl:14])[H:17])[Cl:13])[H:16]', inchi_key='BTOTVAISQCMDLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435532', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:12][C:8]([H:18])([H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[Cl:14])[H:17])[Cl:13])[H:16]', inchi_key='BTOTVAISQCMDLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435533', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:12][C:8]([H:18])([H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[Cl:14])[H:17])[Cl:13])[H:16]', inchi_key='BTOTVAISQCMDLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435570', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:12][C:8]([H:18])([H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[Cl:14])[H:17])[Cl:13])[H:16]', inchi_key='BTOTVAISQCMDLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435589', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:12][C:8]([H:18])([H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[Cl:14])[H:17])[Cl:13])[H:16]', inchi_key='BTOTVAISQCMDLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435590', cmiles='[H:16][c:1]1[c:2]([c:5]([c:3]([c:6]2[c:4]1[n:9][c:7]([s:14]2)[Br:15])[H:18])[O:10][C:8]([F:11])([F:12])[F:13])[H:17]', inchi_key='KDMNQLMJVHMDCQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435591', cmiles='[H:16][c:1]1[c:2]([c:5]([c:3]([c:6]2[c:4]1[n:9][c:7]([s:14]2)[Br:15])[H:18])[O:10][C:8]([F:11])([F:12])[F:13])[H:17]', inchi_key='KDMNQLMJVHMDCQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435592', cmiles='[H:13][C:1]1([C:4]([N:11]([C:5]([C:2]([C:7]12[C:3]([C:8]([O:12][C:6]2([H:23])[H:24])([C:9]([H:25])([H:26])[H:27])[C:10]([H:28])([H:29])[H:30])([H:17])[H:18])([H:15])[H:16])([H:21])[H:22])[H:31])([H:19])[H:20])[H:14]', inchi_key='PKTOPEWHIUEXGV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435593', cmiles='[H:16][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:18])[F:14])[H:17]', inchi_key='OQPRAYXKTMGFSY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435594', cmiles='[H:16][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:18])[F:14])[H:17]', inchi_key='OQPRAYXKTMGFSY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435595', cmiles='[H:16][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:18])[F:14])[H:17]', inchi_key='OQPRAYXKTMGFSY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435596', cmiles='[H:16][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:18])[F:14])[H:17]', inchi_key='OQPRAYXKTMGFSY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435597', cmiles='[H:16][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:18])[F:14])[H:17]', inchi_key='OQPRAYXKTMGFSY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435598', cmiles='[H:16][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:18])[F:14])[H:17]', inchi_key='OQPRAYXKTMGFSY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435599', cmiles='[H:16][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[H:18])[F:14])[H:17]', inchi_key='OQPRAYXKTMGFSY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435600', cmiles='[H:13][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1/[C:7](=[N:9]\\[O:10][H:20])/[H:16])[O:11][C:8]([H:17])([H:18])[H:19])[H:15])[Cl:12])[H:14]', inchi_key='XEBQIYNTXZCUCV-YHYXMXQVSA-N'), OptimizationResult(type='optimization', record_id='18435601', cmiles='[H:13][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1/[C:7](=[N:9]\\[O:10][H:20])/[H:16])[O:11][C:8]([H:17])([H:18])[H:19])[H:15])[Cl:12])[H:14]', inchi_key='XEBQIYNTXZCUCV-YHYXMXQVSA-N'), OptimizationResult(type='optimization', record_id='18435602', cmiles='[H:25][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:27])[C:13](=[N:17][S:24]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](/[c:9]3[c:4]([c:5]([c:10]4[c:11]([c:7]3[H:31])[O:23][C:15]([O:22]4)([H:32])[H:33])[H:29])[H:28])\\[C:16]([H:34])([H:35])[H:36])[H:30])[H:26]', inchi_key='HYYIAXVKTRVUHC-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18435603', cmiles='[H:25][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:27])[C:13](=[N:17][S:24]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](/[c:9]3[c:4]([c:5]([c:10]4[c:11]([c:7]3[H:31])[O:23][C:15]([O:22]4)([H:32])[H:33])[H:29])[H:28])\\[C:16]([H:34])([H:35])[H:36])[H:30])[H:26]', inchi_key='HYYIAXVKTRVUHC-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18435604', cmiles='[H:25][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:27])[C:13](=[N:17][S:24]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](/[c:9]3[c:4]([c:5]([c:10]4[c:11]([c:7]3[H:31])[O:23][C:15]([O:22]4)([H:32])[H:33])[H:29])[H:28])\\[C:16]([H:34])([H:35])[H:36])[H:30])[H:26]', inchi_key='HYYIAXVKTRVUHC-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18435612', cmiles='[H:25][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:27])[C:13](=[N:17][S:24]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](/[c:9]3[c:4]([c:5]([c:10]4[c:11]([c:7]3[H:31])[O:23][C:15]([O:22]4)([H:32])[H:33])[H:29])[H:28])\\[C:16]([H:34])([H:35])[H:36])[H:30])[H:26]', inchi_key='HYYIAXVKTRVUHC-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18435613', cmiles='[H:25][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:27])[C:13](=[N:17][S:24]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](/[c:9]3[c:4]([c:5]([c:10]4[c:11]([c:7]3[H:31])[O:23][C:15]([O:22]4)([H:32])[H:33])[H:29])[H:28])\\[C:16]([H:34])([H:35])[H:36])[H:30])[H:26]', inchi_key='HYYIAXVKTRVUHC-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18435614', cmiles='[H:25][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:27])[C:13](=[N:17][S:24]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](/[c:9]3[c:4]([c:5]([c:10]4[c:11]([c:7]3[H:31])[O:23][C:15]([O:22]4)([H:32])[H:33])[H:29])[H:28])\\[C:16]([H:34])([H:35])[H:36])[H:30])[H:26]', inchi_key='HYYIAXVKTRVUHC-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18435615', cmiles='[H:25][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:27])[C:13](=[N:17][S:24]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](/[c:9]3[c:4]([c:5]([c:10]4[c:11]([c:7]3[H:31])[O:23][C:15]([O:22]4)([H:32])[H:33])[H:29])[H:28])\\[C:16]([H:34])([H:35])[H:36])[H:30])[H:26]', inchi_key='HYYIAXVKTRVUHC-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18435616', cmiles='[H:25][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:27])[C:13](=[N:17][S:24]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](/[c:9]3[c:4]([c:5]([c:10]4[c:11]([c:7]3[H:31])[O:23][C:15]([O:22]4)([H:32])[H:33])[H:29])[H:28])\\[C:16]([H:34])([H:35])[H:36])[H:30])[H:26]', inchi_key='HYYIAXVKTRVUHC-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18435617', cmiles='[H:25][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:27])[C:13](=[N:17][S:24]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](/[c:9]3[c:4]([c:5]([c:10]4[c:11]([c:7]3[H:31])[O:23][C:15]([O:22]4)([H:32])[H:33])[H:29])[H:28])\\[C:16]([H:34])([H:35])[H:36])[H:30])[H:26]', inchi_key='HYYIAXVKTRVUHC-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18435618', cmiles='[H:25][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:27])[C:13](=[N:17][S:24]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](/[c:9]3[c:4]([c:5]([c:10]4[c:11]([c:7]3[H:31])[O:23][C:15]([O:22]4)([H:32])[H:33])[H:29])[H:28])\\[C:16]([H:34])([H:35])[H:36])[H:30])[H:26]', inchi_key='HYYIAXVKTRVUHC-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18435619', cmiles='[H:25][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:27])[C:13](=[N:17][S:24]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](/[c:9]3[c:4]([c:5]([c:10]4[c:11]([c:7]3[H:31])[O:23][C:15]([O:22]4)([H:32])[H:33])[H:29])[H:28])\\[C:16]([H:34])([H:35])[H:36])[H:30])[H:26]', inchi_key='HYYIAXVKTRVUHC-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18435620', cmiles='[H:25][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:27])[C:13](=[N:17][S:24]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](/[c:9]3[c:4]([c:5]([c:10]4[c:11]([c:7]3[H:31])[O:23][C:15]([O:22]4)([H:32])[H:33])[H:29])[H:28])\\[C:16]([H:34])([H:35])[H:36])[H:30])[H:26]', inchi_key='HYYIAXVKTRVUHC-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18435621', cmiles='[H:25][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:27])[C:13](=[N:17][S:24]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](/[c:9]3[c:4]([c:5]([c:10]4[c:11]([c:7]3[H:31])[O:23][C:15]([O:22]4)([H:32])[H:33])[H:29])[H:28])\\[C:16]([H:34])([H:35])[H:36])[H:30])[H:26]', inchi_key='HYYIAXVKTRVUHC-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18435622', cmiles='[H:25][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:27])[C:13](=[N:17][S:24]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](/[c:9]3[c:4]([c:5]([c:10]4[c:11]([c:7]3[H:31])[O:23][C:15]([O:22]4)([H:32])[H:33])[H:29])[H:28])\\[C:16]([H:34])([H:35])[H:36])[H:30])[H:26]', inchi_key='HYYIAXVKTRVUHC-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18435623', cmiles='[H:25][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:27])[C:13](=[N:17][S:24]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](/[c:9]3[c:4]([c:5]([c:10]4[c:11]([c:7]3[H:31])[O:23][C:15]([O:22]4)([H:32])[H:33])[H:29])[H:28])\\[C:16]([H:34])([H:35])[H:36])[H:30])[H:26]', inchi_key='HYYIAXVKTRVUHC-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18435624', cmiles='[H:25][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:27])[C:13](=[N:17][S:24]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](/[c:9]3[c:4]([c:5]([c:10]4[c:11]([c:7]3[H:31])[O:23][C:15]([O:22]4)([H:32])[H:33])[H:29])[H:28])\\[C:16]([H:34])([H:35])[H:36])[H:30])[H:26]', inchi_key='HYYIAXVKTRVUHC-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18435625', cmiles='[H:24][c:1]1[c:2]([c:10]2[c:11]([c:14]([c:6]([c:3]([c:13]2/[N:18]=[N:17]\\[c:12]3[c:4]([c:7]([c:15]([c:8]([c:5]3[H:28])[H:31])[S:23](=[O:19])(=[O:20])[O:22][H:34])[H:30])[H:27])[H:26])[H:29])[O:21][H:33])[n:16][c:9]1[H:32])[H:25]', inchi_key='JIAGGSRRAAHALT-ZCXUNETKSA-N'), OptimizationResult(type='optimization', record_id='18435626', cmiles='[H:24][c:1]1[c:2]([c:10]2[c:11]([c:14]([c:6]([c:3]([c:13]2/[N:18]=[N:17]\\[c:12]3[c:4]([c:7]([c:15]([c:8]([c:5]3[H:28])[H:31])[S:23](=[O:19])(=[O:20])[O:22][H:34])[H:30])[H:27])[H:26])[H:29])[O:21][H:33])[n:16][c:9]1[H:32])[H:25]', inchi_key='JIAGGSRRAAHALT-ZCXUNETKSA-N'), OptimizationResult(type='optimization', record_id='18435627', cmiles='[H:24][c:1]1[c:2]([c:10]2[c:11]([c:14]([c:6]([c:3]([c:13]2/[N:18]=[N:17]\\[c:12]3[c:4]([c:7]([c:15]([c:8]([c:5]3[H:28])[H:31])[S:23](=[O:19])(=[O:20])[O:22][H:34])[H:30])[H:27])[H:26])[H:29])[O:21][H:33])[n:16][c:9]1[H:32])[H:25]', inchi_key='JIAGGSRRAAHALT-ZCXUNETKSA-N'), OptimizationResult(type='optimization', record_id='18435628', cmiles='[H:24][c:1]1[c:2]([c:10]2[c:11]([c:14]([c:6]([c:3]([c:13]2/[N:18]=[N:17]\\[c:12]3[c:4]([c:7]([c:15]([c:8]([c:5]3[H:28])[H:31])[S:23](=[O:19])(=[O:20])[O:22][H:34])[H:30])[H:27])[H:26])[H:29])[O:21][H:33])[n:16][c:9]1[H:32])[H:25]', inchi_key='JIAGGSRRAAHALT-ZCXUNETKSA-N'), OptimizationResult(type='optimization', record_id='18435629', cmiles='[H:22][c:1]1[c:2]([c:5]([c:7]2[c:3]([c:4]1[C:14]([H:32])([H:33])[H:34])[c:6]([c:8]([n:18]2[H:43])[C:16]([H:38])([H:39])[H:40])[C:17]([H:41])([H:42])[C:9](=[O:20])[N:19]3[C:10]([C:12]([S:21][C:13]([C:11]3([H:26])[H:27])([H:30])[H:31])([H:28])[H:29])([H:24])[H:25])[C:15]([H:35])([H:36])[H:37])[H:23]', inchi_key='HVWZCHRYRJAUCV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435630', cmiles='[H:22][c:1]1[c:2]([c:5]([c:7]2[c:3]([c:4]1[C:14]([H:32])([H:33])[H:34])[c:6]([c:8]([n:18]2[H:43])[C:16]([H:38])([H:39])[H:40])[C:17]([H:41])([H:42])[C:9](=[O:20])[N:19]3[C:10]([C:12]([S:21][C:13]([C:11]3([H:26])[H:27])([H:30])[H:31])([H:28])[H:29])([H:24])[H:25])[C:15]([H:35])([H:36])[H:37])[H:23]', inchi_key='HVWZCHRYRJAUCV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435631', cmiles='[H:22][c:1]1[c:2]([c:5]([c:7]2[c:3]([c:4]1[C:14]([H:32])([H:33])[H:34])[c:6]([c:8]([n:18]2[H:43])[C:16]([H:38])([H:39])[H:40])[C:17]([H:41])([H:42])[C:9](=[O:20])[N:19]3[C:10]([C:12]([S:21][C:13]([C:11]3([H:26])[H:27])([H:30])[H:31])([H:28])[H:29])([H:24])[H:25])[C:15]([H:35])([H:36])[H:37])[H:23]', inchi_key='HVWZCHRYRJAUCV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435632', cmiles='[H:22][c:1]1[c:2]([c:5]([c:7]2[c:3]([c:4]1[C:14]([H:32])([H:33])[H:34])[c:6]([c:8]([n:18]2[H:43])[C:16]([H:38])([H:39])[H:40])[C:17]([H:41])([H:42])[C:9](=[O:20])[N:19]3[C:10]([C:12]([S:21][C:13]([C:11]3([H:26])[H:27])([H:30])[H:31])([H:28])[H:29])([H:24])[H:25])[C:15]([H:35])([H:36])[H:37])[H:23]', inchi_key='HVWZCHRYRJAUCV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435633', cmiles='[H:22][c:1]1[c:2]([c:5]([c:7]2[c:3]([c:4]1[C:14]([H:32])([H:33])[H:34])[c:6]([c:8]([n:18]2[H:43])[C:16]([H:38])([H:39])[H:40])[C:17]([H:41])([H:42])[C:9](=[O:20])[N:19]3[C:10]([C:12]([S:21][C:13]([C:11]3([H:26])[H:27])([H:30])[H:31])([H:28])[H:29])([H:24])[H:25])[C:15]([H:35])([H:36])[H:37])[H:23]', inchi_key='HVWZCHRYRJAUCV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435634', cmiles='[H:22][c:1]1[c:2]([c:5]([c:7]2[c:3]([c:4]1[C:14]([H:32])([H:33])[H:34])[c:6]([c:8]([n:18]2[H:43])[C:16]([H:38])([H:39])[H:40])[C:17]([H:41])([H:42])[C:9](=[O:20])[N:19]3[C:10]([C:12]([S:21][C:13]([C:11]3([H:26])[H:27])([H:30])[H:31])([H:28])[H:29])([H:24])[H:25])[C:15]([H:35])([H:36])[H:37])[H:23]', inchi_key='HVWZCHRYRJAUCV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435635', cmiles='[H:22][c:1]1[c:2]([c:5]([c:7]2[c:3]([c:4]1[C:14]([H:32])([H:33])[H:34])[c:6]([c:8]([n:18]2[H:43])[C:16]([H:38])([H:39])[H:40])[C:17]([H:41])([H:42])[C:9](=[O:20])[N:19]3[C:10]([C:12]([S:21][C:13]([C:11]3([H:26])[H:27])([H:30])[H:31])([H:28])[H:29])([H:24])[H:25])[C:15]([H:35])([H:36])[H:37])[H:23]', inchi_key='HVWZCHRYRJAUCV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435667', cmiles='[H:15][C:3]1([C@:8]2([C:4]([C:2]([C:7]([O:10]2)([H:23])[H:24])([H:13])[H:14])([H:17])[H:18])[C:6]([N:9]([C:5]([C:1]1([H:11])[H:12])([H:19])[H:20])[H:25])([H:21])[H:22])[H:16]', inchi_key='BLXRCCOYFVHFFD-QMMMGPOBSA-N'), OptimizationResult(type='optimization', record_id='18435678', cmiles='[H:22][c:1]1[c:2]([c:6]([c:11]2[c:9]([c:3]1[H:24])[C:13](=[N:15][S:20]2(=[O:18])=[O:19])[N:17]([H:31])/[N:16]=[C:14](/[H:30])\\[c:10]3[c:4]([c:7]([c:12]([c:8]([c:5]3[H:26])[H:29])[Cl:21])[H:28])[H:25])[H:27])[H:23]', inchi_key='RBJUODFIBTUASL-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18435679', cmiles='[H:22][c:1]1[c:2]([c:6]([c:11]2[c:9]([c:3]1[H:24])[C:13](=[N:15][S:20]2(=[O:18])=[O:19])[N:17]([H:31])/[N:16]=[C:14](/[H:30])\\[c:10]3[c:4]([c:7]([c:12]([c:8]([c:5]3[H:26])[H:29])[Cl:21])[H:28])[H:25])[H:27])[H:23]', inchi_key='RBJUODFIBTUASL-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18435680', cmiles='[H:22][c:1]1[c:2]([c:6]([c:11]2[c:9]([c:3]1[H:24])[C:13](=[N:15][S:20]2(=[O:18])=[O:19])[N:17]([H:31])/[N:16]=[C:14](/[H:30])\\[c:10]3[c:4]([c:7]([c:12]([c:8]([c:5]3[H:26])[H:29])[Cl:21])[H:28])[H:25])[H:27])[H:23]', inchi_key='RBJUODFIBTUASL-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18435682', cmiles='[H:22][c:1]1[c:2]([c:6]([c:11]2[c:9]([c:3]1[H:24])[C:13](=[N:15][S:20]2(=[O:18])=[O:19])[N:17]([H:31])/[N:16]=[C:14](/[H:30])\\[c:10]3[c:4]([c:7]([c:12]([c:8]([c:5]3[H:26])[H:29])[Cl:21])[H:28])[H:25])[H:27])[H:23]', inchi_key='RBJUODFIBTUASL-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18435685', cmiles='[H:22][c:1]1[c:2]([c:6]([c:11]2[c:9]([c:3]1[H:24])[C:13](=[N:15][S:20]2(=[O:18])=[O:19])[N:17]([H:31])/[N:16]=[C:14](/[H:30])\\[c:10]3[c:4]([c:7]([c:12]([c:8]([c:5]3[H:26])[H:29])[Cl:21])[H:28])[H:25])[H:27])[H:23]', inchi_key='RBJUODFIBTUASL-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18435687', cmiles='[H:22][c:1]1[c:2]([c:6]([c:11]2[c:9]([c:3]1[H:24])[C:13](=[N:15][S:20]2(=[O:18])=[O:19])[N:17]([H:31])/[N:16]=[C:14](/[H:30])\\[c:10]3[c:4]([c:7]([c:12]([c:8]([c:5]3[H:26])[H:29])[Cl:21])[H:28])[H:25])[H:27])[H:23]', inchi_key='RBJUODFIBTUASL-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18435689', cmiles='[H:22][c:1]1[c:2]([c:6]([c:11]2[c:9]([c:3]1[H:24])[C:13](=[N:15][S:20]2(=[O:18])=[O:19])[N:17]([H:31])/[N:16]=[C:14](/[H:30])\\[c:10]3[c:4]([c:7]([c:12]([c:8]([c:5]3[H:26])[H:29])[Cl:21])[H:28])[H:25])[H:27])[H:23]', inchi_key='RBJUODFIBTUASL-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18435692', cmiles='[H:22][c:1]1[c:2]([c:6]([c:11]2[c:9]([c:3]1[H:24])[C:13](=[N:15][S:20]2(=[O:18])=[O:19])[N:17]([H:31])/[N:16]=[C:14](/[H:30])\\[c:10]3[c:4]([c:7]([c:12]([c:8]([c:5]3[H:26])[H:29])[Cl:21])[H:28])[H:25])[H:27])[H:23]', inchi_key='RBJUODFIBTUASL-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18435694', cmiles='[H:15][c:1]1[c:2]([c:7]([c:5]([c:4]2[c:6]1[n:11]([n:10][c:3]2[H:17])[H:21])[C:8](=[O:12])[O:13][C:9]([H:18])([H:19])[H:20])[Br:14])[H:16]', inchi_key='ZVKNYIAOEMIAKP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435708', cmiles='[H:15][c:1]1[c:2]([c:7]([c:5]([c:4]2[c:6]1[n:11]([n:10][c:3]2[H:17])[H:21])[C:8](=[O:12])[O:13][C:9]([H:18])([H:19])[H:20])[Br:14])[H:16]', inchi_key='ZVKNYIAOEMIAKP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435710', cmiles='[H:14][c:1]1[c:3]([c:5]2[c:4]([c:2]([c:6]1[Br:13])[H:15])[O:10][C:8]([O:11]2)([H:16])[H:17])[C:7](=[O:9])[O:12][H:18]', inchi_key='QLRIAHYAWFMMSW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435712', cmiles='[H:14][c:1]1[c:3]([c:5]2[c:4]([c:2]([c:6]1[Br:13])[H:15])[O:10][C:8]([O:11]2)([H:16])[H:17])[C:7](=[O:9])[O:12][H:18]', inchi_key='QLRIAHYAWFMMSW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435715', cmiles='[H:15][c:1]1[c:2]([c:8]([c:3]([c:5]2[c:7]1[n:11]([c:4]([c:6]2/[C:9](=[N:10]\\[O:13][H:22])/[N:12]([H:20])[H:21])[H:18])[H:19])[H:17])[Cl:14])[H:16]', inchi_key='NQUMMDGIACLAOM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435716', cmiles='[H:15][c:1]1[c:2]([c:8]([c:3]([c:5]2[c:7]1[n:11]([c:4]([c:6]2/[C:9](=[N:10]\\[O:13][H:22])/[N:12]([H:20])[H:21])[H:18])[H:19])[H:17])[Cl:14])[H:16]', inchi_key='NQUMMDGIACLAOM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435717', cmiles='[H:22][c:2]1[c:3]([c:6]([c:9]([c:8]([c:4]1[H:24])[C:17]([H:34])([H:35])[H:36])[O:20][H:37])/[C:12](=[N:19]\\[c:11]2[c:5]([c:7]3[c:10]([s:21]2)[C:14]([C:16]([C:15]([C:13]3([H:26])[H:27])([H:30])[H:31])([H:32])[H:33])([H:28])[H:29])[C:1]#[N:18])/[H:25])[H:23]', inchi_key='LANFFDKUZRNWPH-GRSHGNNSSA-N'), OptimizationResult(type='optimization', record_id='18435718', cmiles='[H:22][c:2]1[c:3]([c:6]([c:9]([c:8]([c:4]1[H:24])[C:17]([H:34])([H:35])[H:36])[O:20][H:37])/[C:12](=[N:19]\\[c:11]2[c:5]([c:7]3[c:10]([s:21]2)[C:14]([C:16]([C:15]([C:13]3([H:26])[H:27])([H:30])[H:31])([H:32])[H:33])([H:28])[H:29])[C:1]#[N:18])/[H:25])[H:23]', inchi_key='LANFFDKUZRNWPH-GRSHGNNSSA-N'), OptimizationResult(type='optimization', record_id='18435719', cmiles='[H:22][c:2]1[c:3]([c:6]([c:9]([c:8]([c:4]1[H:24])[C:17]([H:34])([H:35])[H:36])[O:20][H:37])/[C:12](=[N:19]\\[c:11]2[c:5]([c:7]3[c:10]([s:21]2)[C:14]([C:16]([C:15]([C:13]3([H:26])[H:27])([H:30])[H:31])([H:32])[H:33])([H:28])[H:29])[C:1]#[N:18])/[H:25])[H:23]', inchi_key='LANFFDKUZRNWPH-GRSHGNNSSA-N'), OptimizationResult(type='optimization', record_id='18435720', cmiles='[H:22][c:2]1[c:3]([c:6]([c:9]([c:8]([c:4]1[H:24])[C:17]([H:34])([H:35])[H:36])[O:20][H:37])/[C:12](=[N:19]\\[c:11]2[c:5]([c:7]3[c:10]([s:21]2)[C:14]([C:16]([C:15]([C:13]3([H:26])[H:27])([H:30])[H:31])([H:32])[H:33])([H:28])[H:29])[C:1]#[N:18])/[H:25])[H:23]', inchi_key='LANFFDKUZRNWPH-GRSHGNNSSA-N'), OptimizationResult(type='optimization', record_id='18435721', cmiles='[H:17][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:19])[c:7]([c:5]([n:14]2[C:9](=[O:16])[C:13]([H:27])([H:28])[H:29])[H:21])[C@:12]3([C:10]([C:11]([N:15]3[H:30])([H:24])[H:25])([H:22])[H:23])[H:26])[H:20])[H:18]', inchi_key='KJKZEKOIKVBXEB-GFCCVEGCSA-N'), OptimizationResult(type='optimization', record_id='18435722', cmiles='[H:17][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:19])[c:7]([c:5]([n:14]2[C:9](=[O:16])[C:13]([H:27])([H:28])[H:29])[H:21])[C@:12]3([C:10]([C:11]([N:15]3[H:30])([H:24])[H:25])([H:22])[H:23])[H:26])[H:20])[H:18]', inchi_key='KJKZEKOIKVBXEB-GFCCVEGCSA-N'), OptimizationResult(type='optimization', record_id='18435723', cmiles='[H:17][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:19])[c:7]([c:5]([n:14]2[C:9](=[O:16])[C:13]([H:27])([H:28])[H:29])[H:21])[C@:12]3([C:10]([C:11]([N:15]3[H:30])([H:24])[H:25])([H:22])[H:23])[H:26])[H:20])[H:18]', inchi_key='KJKZEKOIKVBXEB-GFCCVEGCSA-N'), OptimizationResult(type='optimization', record_id='18435724', cmiles='[H:19][C:7]([H:20])([H:21])[c:3]1[c:1]([c:6]([o:18][n:13]1)[C:10]([H:28])([H:29])[H:30])[C:11]([H:31])([H:32])[n:14]2[c:5]([c:2]([c:4]([n:12]2)[C:8]([H:22])([H:23])[H:24])[N+:15](=[O:17])[O-:16])[C:9]([H:25])([H:26])[H:27]', inchi_key='IDFPHVPZWIMCID-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435725', cmiles='[H:19][C:7]([H:20])([H:21])[c:3]1[c:1]([c:6]([o:18][n:13]1)[C:10]([H:28])([H:29])[H:30])[C:11]([H:31])([H:32])[n:14]2[c:5]([c:2]([c:4]([n:12]2)[C:8]([H:22])([H:23])[H:24])[N+:15](=[O:17])[O-:16])[C:9]([H:25])([H:26])[H:27]', inchi_key='IDFPHVPZWIMCID-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435726', cmiles='[H:19][C:7]([H:20])([H:21])[c:3]1[c:1]([c:6]([o:18][n:13]1)[C:10]([H:28])([H:29])[H:30])[C:11]([H:31])([H:32])[n:14]2[c:5]([c:2]([c:4]([n:12]2)[C:8]([H:22])([H:23])[H:24])[N+:15](=[O:17])[O-:16])[C:9]([H:25])([H:26])[H:27]', inchi_key='IDFPHVPZWIMCID-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435727', cmiles='[H:19][C:7]([H:20])([H:21])[c:3]1[c:1]([c:6]([o:18][n:13]1)[C:10]([H:28])([H:29])[H:30])[C:11]([H:31])([H:32])[n:14]2[c:5]([c:2]([c:4]([n:12]2)[C:8]([H:22])([H:23])[H:24])[N+:15](=[O:17])[O-:16])[C:9]([H:25])([H:26])[H:27]', inchi_key='IDFPHVPZWIMCID-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435728', cmiles='[H:19][C:7]([H:20])([H:21])[c:3]1[c:1]([c:6]([o:18][n:13]1)[C:10]([H:28])([H:29])[H:30])[C:11]([H:31])([H:32])[n:14]2[c:5]([c:2]([c:4]([n:12]2)[C:8]([H:22])([H:23])[H:24])[N+:15](=[O:17])[O-:16])[C:9]([H:25])([H:26])[H:27]', inchi_key='IDFPHVPZWIMCID-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435729', cmiles='[H:19][C:7]([H:20])([H:21])[c:3]1[c:1]([c:6]([o:18][n:13]1)[C:10]([H:28])([H:29])[H:30])[C:11]([H:31])([H:32])[n:14]2[c:5]([c:2]([c:4]([n:12]2)[C:8]([H:22])([H:23])[H:24])[N+:15](=[O:17])[O-:16])[C:9]([H:25])([H:26])[H:27]', inchi_key='IDFPHVPZWIMCID-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435730', cmiles='[H:19][C:7]([H:20])([H:21])[c:3]1[c:1]([c:6]([o:18][n:13]1)[C:10]([H:28])([H:29])[H:30])[C:11]([H:31])([H:32])[n:14]2[c:5]([c:2]([c:4]([n:12]2)[C:8]([H:22])([H:23])[H:24])[N+:15](=[O:17])[O-:16])[C:9]([H:25])([H:26])[H:27]', inchi_key='IDFPHVPZWIMCID-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435731', cmiles='[H:19][C:7]([H:20])([H:21])[c:3]1[c:1]([c:6]([o:18][n:13]1)[C:10]([H:28])([H:29])[H:30])[C:11]([H:31])([H:32])[n:14]2[c:5]([c:2]([c:4]([n:12]2)[C:8]([H:22])([H:23])[H:24])[N+:15](=[O:17])[O-:16])[C:9]([H:25])([H:26])[H:27]', inchi_key='IDFPHVPZWIMCID-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435732', cmiles='[H:19][C:7]([H:20])([H:21])[c:3]1[c:1]([c:6]([o:18][n:13]1)[C:10]([H:28])([H:29])[H:30])[C:11]([H:31])([H:32])[n:14]2[c:5]([c:2]([c:4]([n:12]2)[C:8]([H:22])([H:23])[H:24])[N+:15](=[O:17])[O-:16])[C:9]([H:25])([H:26])[H:27]', inchi_key='IDFPHVPZWIMCID-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435733', cmiles='[H:19][C:7]([H:20])([H:21])[c:3]1[c:1]([c:6]([o:18][n:13]1)[C:10]([H:28])([H:29])[H:30])[C:11]([H:31])([H:32])[n:14]2[c:5]([c:2]([c:4]([n:12]2)[C:8]([H:22])([H:23])[H:24])[N+:15](=[O:17])[O-:16])[C:9]([H:25])([H:26])[H:27]', inchi_key='IDFPHVPZWIMCID-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435760', cmiles='[H:9][c:1]1[c:2]([n:5][c:3]([s:7]1)[C:4](=[O:6])[H:10])[Cl:8]', inchi_key='FIRXGZJYHGJBPL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435770', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:19])[F:12])[C:7]([H:20])([H:21])[S:16](=[O:9])(=[O:10])[C:8]([F:13])([F:14])[F:15])[F:11])[H:18]', inchi_key='ZOTYJNXPZYCALL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435771', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:19])[F:12])[C:7]([H:20])([H:21])[S:16](=[O:9])(=[O:10])[C:8]([F:13])([F:14])[F:15])[F:11])[H:18]', inchi_key='ZOTYJNXPZYCALL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435772', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:19])[F:12])[C:7]([H:20])([H:21])[S:16](=[O:9])(=[O:10])[C:8]([F:13])([F:14])[F:15])[F:11])[H:18]', inchi_key='ZOTYJNXPZYCALL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435808', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:19])[F:12])[C:7]([H:20])([H:21])[S:16](=[O:9])(=[O:10])[C:8]([F:13])([F:14])[F:15])[F:11])[H:18]', inchi_key='ZOTYJNXPZYCALL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435830', cmiles='[H:22][C@:6]1([C@@:7]([C:5]([N@:15]([C:4]1([H:18])[H:19])[C:13]([H:37])([H:38])[c:2]2[c:1]([n:14][c:3]([s:17]2)[C:8]([H:23])([H:24])[H:25])[C:12]([H:35])([H:36])[C:11]([H:32])([H:33])[H:34])([H:20])[H:21])([C:10]([H:29])([H:30])[H:31])[O:16][H:39])[C:9]([H:26])([H:27])[H:28]', inchi_key='YUQWLHRBVJFFRO-ZANVPECISA-N'), OptimizationResult(type='optimization', record_id='18435831', cmiles='[H:22][C@:6]1([C@@:7]([C:5]([N@:15]([C:4]1([H:18])[H:19])[C:13]([H:37])([H:38])[c:2]2[c:1]([n:14][c:3]([s:17]2)[C:8]([H:23])([H:24])[H:25])[C:12]([H:35])([H:36])[C:11]([H:32])([H:33])[H:34])([H:20])[H:21])([C:10]([H:29])([H:30])[H:31])[O:16][H:39])[C:9]([H:26])([H:27])[H:28]', inchi_key='YUQWLHRBVJFFRO-ZANVPECISA-N'), OptimizationResult(type='optimization', record_id='18435832', cmiles='[H:22][C@:6]1([C@@:7]([C:5]([N@:15]([C:4]1([H:18])[H:19])[C:13]([H:37])([H:38])[c:2]2[c:1]([n:14][c:3]([s:17]2)[C:8]([H:23])([H:24])[H:25])[C:12]([H:35])([H:36])[C:11]([H:32])([H:33])[H:34])([H:20])[H:21])([C:10]([H:29])([H:30])[H:31])[O:16][H:39])[C:9]([H:26])([H:27])[H:28]', inchi_key='YUQWLHRBVJFFRO-ZANVPECISA-N'), OptimizationResult(type='optimization', record_id='18435833', cmiles='[H:22][C@:6]1([C@@:7]([C:5]([N@:15]([C:4]1([H:18])[H:19])[C:13]([H:37])([H:38])[c:2]2[c:1]([n:14][c:3]([s:17]2)[C:8]([H:23])([H:24])[H:25])[C:12]([H:35])([H:36])[C:11]([H:32])([H:33])[H:34])([H:20])[H:21])([C:10]([H:29])([H:30])[H:31])[O:16][H:39])[C:9]([H:26])([H:27])[H:28]', inchi_key='YUQWLHRBVJFFRO-ZANVPECISA-N'), OptimizationResult(type='optimization', record_id='18435834', cmiles='[H:22][C@:6]1([C@@:7]([C:5]([N@:15]([C:4]1([H:18])[H:19])[C:13]([H:37])([H:38])[c:2]2[c:1]([n:14][c:3]([s:17]2)[C:8]([H:23])([H:24])[H:25])[C:12]([H:35])([H:36])[C:11]([H:32])([H:33])[H:34])([H:20])[H:21])([C:10]([H:29])([H:30])[H:31])[O:16][H:39])[C:9]([H:26])([H:27])[H:28]', inchi_key='YUQWLHRBVJFFRO-ZANVPECISA-N'), OptimizationResult(type='optimization', record_id='18435835', cmiles='[H:22][C@:6]1([C@@:7]([C:5]([N@:15]([C:4]1([H:18])[H:19])[C:13]([H:37])([H:38])[c:2]2[c:1]([n:14][c:3]([s:17]2)[C:8]([H:23])([H:24])[H:25])[C:12]([H:35])([H:36])[C:11]([H:32])([H:33])[H:34])([H:20])[H:21])([C:10]([H:29])([H:30])[H:31])[O:16][H:39])[C:9]([H:26])([H:27])[H:28]', inchi_key='YUQWLHRBVJFFRO-ZANVPECISA-N'), OptimizationResult(type='optimization', record_id='18435836', cmiles='[H:22][C@:6]1([C@@:7]([C:5]([N@:15]([C:4]1([H:18])[H:19])[C:13]([H:37])([H:38])[c:2]2[c:1]([n:14][c:3]([s:17]2)[C:8]([H:23])([H:24])[H:25])[C:12]([H:35])([H:36])[C:11]([H:32])([H:33])[H:34])([H:20])[H:21])([C:10]([H:29])([H:30])[H:31])[O:16][H:39])[C:9]([H:26])([H:27])[H:28]', inchi_key='YUQWLHRBVJFFRO-ZANVPECISA-N'), OptimizationResult(type='optimization', record_id='18435837', cmiles='[H:22][C@:6]1([C@@:7]([C:5]([N@:15]([C:4]1([H:18])[H:19])[C:13]([H:37])([H:38])[c:2]2[c:1]([n:14][c:3]([s:17]2)[C:8]([H:23])([H:24])[H:25])[C:12]([H:35])([H:36])[C:11]([H:32])([H:33])[H:34])([H:20])[H:21])([C:10]([H:29])([H:30])[H:31])[O:16][H:39])[C:9]([H:26])([H:27])[H:28]', inchi_key='YUQWLHRBVJFFRO-ZANVPECISA-N'), OptimizationResult(type='optimization', record_id='18435838', cmiles='[H:22][C@:6]1([C@@:7]([C:5]([N@:15]([C:4]1([H:18])[H:19])[C:13]([H:37])([H:38])[c:2]2[c:1]([n:14][c:3]([s:17]2)[C:8]([H:23])([H:24])[H:25])[C:12]([H:35])([H:36])[C:11]([H:32])([H:33])[H:34])([H:20])[H:21])([C:10]([H:29])([H:30])[H:31])[O:16][H:39])[C:9]([H:26])([H:27])[H:28]', inchi_key='YUQWLHRBVJFFRO-ZANVPECISA-N'), OptimizationResult(type='optimization', record_id='18435839', cmiles='[H:22][C@:6]1([C@@:7]([C:5]([N@:15]([C:4]1([H:18])[H:19])[C:13]([H:37])([H:38])[c:2]2[c:1]([n:14][c:3]([s:17]2)[C:8]([H:23])([H:24])[H:25])[C:12]([H:35])([H:36])[C:11]([H:32])([H:33])[H:34])([H:20])[H:21])([C:10]([H:29])([H:30])[H:31])[O:16][H:39])[C:9]([H:26])([H:27])[H:28]', inchi_key='YUQWLHRBVJFFRO-ZANVPECISA-N'), OptimizationResult(type='optimization', record_id='18435840', cmiles='[H:22][C@:6]1([C@@:7]([C:5]([N@:15]([C:4]1([H:18])[H:19])[C:13]([H:37])([H:38])[c:2]2[c:1]([n:14][c:3]([s:17]2)[C:8]([H:23])([H:24])[H:25])[C:12]([H:35])([H:36])[C:11]([H:32])([H:33])[H:34])([H:20])[H:21])([C:10]([H:29])([H:30])[H:31])[O:16][H:39])[C:9]([H:26])([H:27])[H:28]', inchi_key='YUQWLHRBVJFFRO-ZANVPECISA-N'), OptimizationResult(type='optimization', record_id='18435841', cmiles='[H:23][c:1]1[c:2]([c:4]([c:7]([c:5]([c:3]1[H:25])[H:27])[c:12]2[n:17][c:6]([c:8]([s:22]2)[c:11]3[n:18][c:9]4[c:10]([n:19]3[H:35])[C:14]([C:15]([C:16]([N:20]([C:13]4=[O:21])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])[H:28])[H:26])[H:24]', inchi_key='LJURVHBCFMKPNM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435842', cmiles='[H:23][c:1]1[c:2]([c:4]([c:7]([c:5]([c:3]1[H:25])[H:27])[c:12]2[n:17][c:6]([c:8]([s:22]2)[c:11]3[n:18][c:9]4[c:10]([n:19]3[H:35])[C:14]([C:15]([C:16]([N:20]([C:13]4=[O:21])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])[H:28])[H:26])[H:24]', inchi_key='LJURVHBCFMKPNM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435843', cmiles='[H:23][c:1]1[c:2]([c:4]([c:7]([c:5]([c:3]1[H:25])[H:27])[c:12]2[n:17][c:6]([c:8]([s:22]2)[c:11]3[n:18][c:9]4[c:10]([n:19]3[H:35])[C:14]([C:15]([C:16]([N:20]([C:13]4=[O:21])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])[H:28])[H:26])[H:24]', inchi_key='LJURVHBCFMKPNM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435844', cmiles='[H:23][c:1]1[c:2]([c:4]([c:7]([c:5]([c:3]1[H:25])[H:27])[c:12]2[n:17][c:6]([c:8]([s:22]2)[c:11]3[n:18][c:9]4[c:10]([n:19]3[H:35])[C:14]([C:15]([C:16]([N:20]([C:13]4=[O:21])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])[H:28])[H:26])[H:24]', inchi_key='LJURVHBCFMKPNM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435845', cmiles='[H:22][c:2]1[c:3]([c:6]([c:10]([c:9]([c:5]1[H:25])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](\\[H:29])/[c:11]3[c:7]([c:4]([c:8]([s:21]3)[H:28])[H:24])[H:27])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:26])[H:23]', inchi_key='PPYHSTHBEXLRNW-FMIVXFBMSA-N'), OptimizationResult(type='optimization', record_id='18435846', cmiles='[H:22][c:2]1[c:3]([c:6]([c:10]([c:9]([c:5]1[H:25])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](\\[H:29])/[c:11]3[c:7]([c:4]([c:8]([s:21]3)[H:28])[H:24])[H:27])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:26])[H:23]', inchi_key='PPYHSTHBEXLRNW-FMIVXFBMSA-N'), OptimizationResult(type='optimization', record_id='18435847', cmiles='[H:22][c:2]1[c:3]([c:6]([c:10]([c:9]([c:5]1[H:25])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](\\[H:29])/[c:11]3[c:7]([c:4]([c:8]([s:21]3)[H:28])[H:24])[H:27])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:26])[H:23]', inchi_key='PPYHSTHBEXLRNW-FMIVXFBMSA-N'), OptimizationResult(type='optimization', record_id='18435848', cmiles='[H:22][c:2]1[c:3]([c:6]([c:10]([c:9]([c:5]1[H:25])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](\\[H:29])/[c:11]3[c:7]([c:4]([c:8]([s:21]3)[H:28])[H:24])[H:27])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:26])[H:23]', inchi_key='PPYHSTHBEXLRNW-FMIVXFBMSA-N'), OptimizationResult(type='optimization', record_id='18435849', cmiles='[H:22][c:2]1[c:3]([c:6]([c:10]([c:9]([c:5]1[H:25])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](\\[H:29])/[c:11]3[c:7]([c:4]([c:8]([s:21]3)[H:28])[H:24])[H:27])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:26])[H:23]', inchi_key='PPYHSTHBEXLRNW-FMIVXFBMSA-N'), OptimizationResult(type='optimization', record_id='18435850', cmiles='[H:22][c:2]1[c:3]([c:6]([c:10]([c:9]([c:5]1[H:25])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](\\[H:29])/[c:11]3[c:7]([c:4]([c:8]([s:21]3)[H:28])[H:24])[H:27])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:26])[H:23]', inchi_key='PPYHSTHBEXLRNW-FMIVXFBMSA-N'), OptimizationResult(type='optimization', record_id='18435851', cmiles='[H:22][c:2]1[c:3]([c:6]([c:10]([c:9]([c:5]1[H:25])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](\\[H:29])/[c:11]3[c:7]([c:4]([c:8]([s:21]3)[H:28])[H:24])[H:27])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:26])[H:23]', inchi_key='PPYHSTHBEXLRNW-FMIVXFBMSA-N'), OptimizationResult(type='optimization', record_id='18435852', cmiles='[H:22][c:2]1[c:3]([c:6]([c:10]([c:9]([c:5]1[H:25])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](\\[H:29])/[c:11]3[c:7]([c:4]([c:8]([s:21]3)[H:28])[H:24])[H:27])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:26])[H:23]', inchi_key='PPYHSTHBEXLRNW-FMIVXFBMSA-N'), OptimizationResult(type='optimization', record_id='18435853', cmiles='[H:22][c:2]1[c:3]([c:6]([c:10]([c:9]([c:5]1[H:25])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](\\[H:29])/[c:11]3[c:7]([c:4]([c:8]([s:21]3)[H:28])[H:24])[H:27])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:26])[H:23]', inchi_key='PPYHSTHBEXLRNW-FMIVXFBMSA-N'), OptimizationResult(type='optimization', record_id='18435854', cmiles='[H:22][c:2]1[c:3]([c:6]([c:10]([c:9]([c:5]1[H:25])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](\\[H:29])/[c:11]3[c:7]([c:4]([c:8]([s:21]3)[H:28])[H:24])[H:27])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:26])[H:23]', inchi_key='PPYHSTHBEXLRNW-FMIVXFBMSA-N'), OptimizationResult(type='optimization', record_id='18435855', cmiles='[H:22][c:2]1[c:3]([c:6]([c:10]([c:9]([c:5]1[H:25])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](\\[H:29])/[c:11]3[c:7]([c:4]([c:8]([s:21]3)[H:28])[H:24])[H:27])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:26])[H:23]', inchi_key='PPYHSTHBEXLRNW-FMIVXFBMSA-N'), OptimizationResult(type='optimization', record_id='18435856', cmiles='[H:22][c:2]1[c:3]([c:6]([c:10]([c:9]([c:5]1[H:25])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](\\[H:29])/[c:11]3[c:7]([c:4]([c:8]([s:21]3)[H:28])[H:24])[H:27])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:26])[H:23]', inchi_key='PPYHSTHBEXLRNW-FMIVXFBMSA-N'), OptimizationResult(type='optimization', record_id='18435857', cmiles='[H:22][c:2]1[c:3]([c:6]([c:10]([c:9]([c:5]1[H:25])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](\\[H:29])/[c:11]3[c:7]([c:4]([c:8]([s:21]3)[H:28])[H:24])[H:27])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:26])[H:23]', inchi_key='PPYHSTHBEXLRNW-FMIVXFBMSA-N'), OptimizationResult(type='optimization', record_id='18435858', cmiles='[H:22][c:2]1[c:3]([c:6]([c:10]([c:9]([c:5]1[H:25])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](\\[H:29])/[c:11]3[c:7]([c:4]([c:8]([s:21]3)[H:28])[H:24])[H:27])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:26])[H:23]', inchi_key='PPYHSTHBEXLRNW-FMIVXFBMSA-N'), OptimizationResult(type='optimization', record_id='18435859', cmiles='[H:22][c:2]1[c:3]([c:6]([c:10]([c:9]([c:5]1[H:25])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](\\[H:29])/[c:11]3[c:7]([c:4]([c:8]([s:21]3)[H:28])[H:24])[H:27])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:26])[H:23]', inchi_key='PPYHSTHBEXLRNW-FMIVXFBMSA-N'), OptimizationResult(type='optimization', record_id='18435860', cmiles='[H:22][c:2]1[c:3]([c:6]([c:10]([c:9]([c:5]1[H:25])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](\\[H:29])/[c:11]3[c:7]([c:4]([c:8]([s:21]3)[H:28])[H:24])[H:27])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:26])[H:23]', inchi_key='PPYHSTHBEXLRNW-FMIVXFBMSA-N'), OptimizationResult(type='optimization', record_id='18435861', cmiles='[H:22][c:2]1[c:3]([c:6]([c:10]([c:9]([c:5]1[H:25])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](\\[H:29])/[c:11]3[c:7]([c:4]([c:8]([s:21]3)[H:28])[H:24])[H:27])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:26])[H:23]', inchi_key='PPYHSTHBEXLRNW-FMIVXFBMSA-N'), OptimizationResult(type='optimization', record_id='18435862', cmiles='[H:22][c:2]1[c:3]([c:6]([c:10]([c:9]([c:5]1[H:25])[c:12]2[n:18][c:13]([o:20][n:19]2)/[C:15](=[C:14](\\[H:29])/[c:11]3[c:7]([c:4]([c:8]([s:21]3)[H:28])[H:24])[H:27])/[C:1]#[N:17])[C:16]([H:30])([H:31])[H:32])[H:26])[H:23]', inchi_key='PPYHSTHBEXLRNW-FMIVXFBMSA-N'), OptimizationResult(type='optimization', record_id='18435863', cmiles='[H:17][c:1]1[c:4]([c:2]([c:6]([c:3]2[c:5]1[s:14][c:7]([n:9]2)[S:15][H:19])[Br:16])[H:18])[O:10][C:8]([F:11])([F:12])[F:13]', inchi_key='JQMOBYLYYWNJBN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435864', cmiles='[H:17][c:1]1[c:4]([c:2]([c:6]([c:3]2[c:5]1[s:14][c:7]([n:9]2)[S:15][H:19])[Br:16])[H:18])[O:10][C:8]([F:11])([F:12])[F:13]', inchi_key='JQMOBYLYYWNJBN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435865', cmiles='[H:17][c:1]1[c:4]([c:2]([c:6]([c:3]2[c:5]1[s:14][c:7]([n:9]2)[S:15][H:19])[Br:16])[H:18])[O:10][C:8]([F:11])([F:12])[F:13]', inchi_key='JQMOBYLYYWNJBN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435866', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:14])[H:18])[Br:15])[H:17]', inchi_key='DOMAWQDRRDVRNF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435867', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:14])[H:18])[Br:15])[H:17]', inchi_key='DOMAWQDRRDVRNF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435868', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:14])[H:18])[Br:15])[H:17]', inchi_key='DOMAWQDRRDVRNF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435869', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:14])[H:18])[Br:15])[H:17]', inchi_key='DOMAWQDRRDVRNF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435870', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:14])[H:18])[Br:15])[H:17]', inchi_key='DOMAWQDRRDVRNF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435871', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:14])[H:18])[Br:15])[H:17]', inchi_key='DOMAWQDRRDVRNF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435872', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:14])[H:18])[Br:15])[H:17]', inchi_key='DOMAWQDRRDVRNF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435895', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:14])[H:18])[Br:15])[H:17]', inchi_key='DOMAWQDRRDVRNF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435896', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:14])[H:18])[Br:15])[H:17]', inchi_key='DOMAWQDRRDVRNF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435897', cmiles='[H:13][C:3]1([C:5]([N:10]([C:6]([C:4]([C:7]1([C:1]#[N:9])[C:2](=[O:11])[O:12][C:8]([H:21])([H:22])[H:23])([H:15])[H:16])([H:19])[H:20])[H:24])([H:17])[H:18])[H:14]', inchi_key='GNKQILAUTUVSDE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435898', cmiles='[H:13][C:3]1([C:5]([N:10]([C:6]([C:4]([C:7]1([C:1]#[N:9])[C:2](=[O:11])[O:12][C:8]([H:21])([H:22])[H:23])([H:15])[H:16])([H:19])[H:20])[H:24])([H:17])[H:18])[H:14]', inchi_key='GNKQILAUTUVSDE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435899', cmiles='[H:13][c:2]1[c:4]([c:3]([n:11][c:5]([n:10]1)[C:8]2([C:6]([C:7]2([H:17])[H:18])([H:15])[H:16])[C:1]#[N:9])[H:14])[Br:12]', inchi_key='UAWOVWVMJPNFRJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435900', cmiles='[H:11][c:1]1[c:2]([s:10][c:4]([c:3]1[C:7]([H:16])([H:17])[H:18])[C@:8]([H:19])([C:6](=[C:5]([H:13])[H:14])[H:15])[N:9]([H:20])[H:21])[H:12]', inchi_key='APNISKPGAIYMOJ-ZETCQYMHSA-N'), OptimizationResult(type='optimization', record_id='18435901', cmiles='[H:11][c:1]1[c:2]([s:10][c:4]([c:3]1[C:7]([H:16])([H:17])[H:18])[C@:8]([H:19])([C:6](=[C:5]([H:13])[H:14])[H:15])[N:9]([H:20])[H:21])[H:12]', inchi_key='APNISKPGAIYMOJ-ZETCQYMHSA-N'), OptimizationResult(type='optimization', record_id='18435902', cmiles='[H:11][c:1]1[c:2]([s:10][c:4]([c:3]1[C:7]([H:16])([H:17])[H:18])[C@:8]([H:19])([C:6](=[C:5]([H:13])[H:14])[H:15])[N:9]([H:20])[H:21])[H:12]', inchi_key='APNISKPGAIYMOJ-ZETCQYMHSA-N'), OptimizationResult(type='optimization', record_id='18435903', cmiles='[H:11][c:1]1[c:2]([s:10][c:4]([c:3]1[C:7]([H:16])([H:17])[H:18])[C@:8]([H:19])([C:6](=[C:5]([H:13])[H:14])[H:15])[N:9]([H:20])[H:21])[H:12]', inchi_key='APNISKPGAIYMOJ-ZETCQYMHSA-N'), OptimizationResult(type='optimization', record_id='18435904', cmiles='[H:12][c:1]1[c:3]([c:6]([c:4]([c:2]([c:5]1/[N:9]=[C:7](/[H:16])\\[O:10][C:8]([H:17])([H:18])[H:19])[H:13])[H:15])[Cl:11])[H:14]', inchi_key='GEUDANRXSBCHEO-POHAHGRESA-N'), OptimizationResult(type='optimization', record_id='18435905', cmiles='[H:21][c:1]1[c:4]([c:10]([c:12]([c:7]([c:9]1/[N:14]=[N:13]\\[c:8]2[c:2]([c:5]([c:11]([c:6]([c:3]2[H:23])[H:26])[S:19](=[O:16])(=[O:17])[N:15]([H:28])[H:29])[H:25])[H:22])[H:27])[Cl:20])[O:18][H:30])[H:24]', inchi_key='CNOMOEITTQLGJX-NXVVXOECSA-N'), OptimizationResult(type='optimization', record_id='18435906', cmiles='[H:21][c:1]1[c:4]([c:10]([c:12]([c:7]([c:9]1/[N:14]=[N:13]\\[c:8]2[c:2]([c:5]([c:11]([c:6]([c:3]2[H:23])[H:26])[S:19](=[O:16])(=[O:17])[N:15]([H:28])[H:29])[H:25])[H:22])[H:27])[Cl:20])[O:18][H:30])[H:24]', inchi_key='CNOMOEITTQLGJX-NXVVXOECSA-N'), OptimizationResult(type='optimization', record_id='18435907', cmiles='[H:21][c:1]1[c:4]([c:10]([c:12]([c:7]([c:9]1/[N:14]=[N:13]\\[c:8]2[c:2]([c:5]([c:11]([c:6]([c:3]2[H:23])[H:26])[S:19](=[O:16])(=[O:17])[N:15]([H:28])[H:29])[H:25])[H:22])[H:27])[Cl:20])[O:18][H:30])[H:24]', inchi_key='CNOMOEITTQLGJX-NXVVXOECSA-N'), OptimizationResult(type='optimization', record_id='18435908', cmiles='[H:21][c:1]1[c:4]([c:10]([c:12]([c:7]([c:9]1/[N:14]=[N:13]\\[c:8]2[c:2]([c:5]([c:11]([c:6]([c:3]2[H:23])[H:26])[S:19](=[O:16])(=[O:17])[N:15]([H:28])[H:29])[H:25])[H:22])[H:27])[Cl:20])[O:18][H:30])[H:24]', inchi_key='CNOMOEITTQLGJX-NXVVXOECSA-N'), OptimizationResult(type='optimization', record_id='18435909', cmiles='[H:21][c:1]1[c:4]([c:10]([c:12]([c:7]([c:9]1/[N:14]=[N:13]\\[c:8]2[c:2]([c:5]([c:11]([c:6]([c:3]2[H:23])[H:26])[S:19](=[O:16])(=[O:17])[N:15]([H:28])[H:29])[H:25])[H:22])[H:27])[Cl:20])[O:18][H:30])[H:24]', inchi_key='CNOMOEITTQLGJX-NXVVXOECSA-N'), OptimizationResult(type='optimization', record_id='18435910', cmiles='[H:21][c:1]1[c:4]([c:10]([c:12]([c:7]([c:9]1/[N:14]=[N:13]\\[c:8]2[c:2]([c:5]([c:11]([c:6]([c:3]2[H:23])[H:26])[S:19](=[O:16])(=[O:17])[N:15]([H:28])[H:29])[H:25])[H:22])[H:27])[Cl:20])[O:18][H:30])[H:24]', inchi_key='CNOMOEITTQLGJX-NXVVXOECSA-N'), OptimizationResult(type='optimization', record_id='18435911', cmiles='[H:21][c:1]1[c:4]([c:10]([c:12]([c:7]([c:9]1/[N:14]=[N:13]\\[c:8]2[c:2]([c:5]([c:11]([c:6]([c:3]2[H:23])[H:26])[S:19](=[O:16])(=[O:17])[N:15]([H:28])[H:29])[H:25])[H:22])[H:27])[Cl:20])[O:18][H:30])[H:24]', inchi_key='CNOMOEITTQLGJX-NXVVXOECSA-N'), OptimizationResult(type='optimization', record_id='18435912', cmiles='[H:21][c:1]1[c:4]([c:10]([c:12]([c:7]([c:9]1/[N:14]=[N:13]\\[c:8]2[c:2]([c:5]([c:11]([c:6]([c:3]2[H:23])[H:26])[S:19](=[O:16])(=[O:17])[N:15]([H:28])[H:29])[H:25])[H:22])[H:27])[Cl:20])[O:18][H:30])[H:24]', inchi_key='CNOMOEITTQLGJX-NXVVXOECSA-N'), OptimizationResult(type='optimization', record_id='18435913', cmiles='[H:18][c:1]1[c:4]([n:13]([c:7]2[c:3]([c:6]([c:9]([c:2]([c:5]2[c:8]1=[O:14])[H:19])[O:16][C:11]([H:22])([H:23])[H:24])[C:10](=[O:15])[O:17][C:12]([H:25])([H:26])[H:27])[H:20])[H:28])[H:21]', inchi_key='GUFWOLGMEYBTHR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435914', cmiles='[H:18][c:1]1[c:4]([n:13]([c:7]2[c:3]([c:6]([c:9]([c:2]([c:5]2[c:8]1=[O:14])[H:19])[O:16][C:11]([H:22])([H:23])[H:24])[C:10](=[O:15])[O:17][C:12]([H:25])([H:26])[H:27])[H:20])[H:28])[H:21]', inchi_key='GUFWOLGMEYBTHR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435915', cmiles='[H:20][c:1]1[c:3]([c:6]([c:4]([c:2]([c:5]1[C:13]([H:33])([H:34])[H:35])[H:21])[H:23])[C:15]([H:39])([H:40])[N:17]2[C:7](=[O:19])[N:16]3[C@:12]([C:10]2([H:28])[H:29])([C:11]([N@@:18]([C:9]([C:8]3([H:24])[H:25])([H:26])[H:27])[C:14]([H:36])([H:37])[H:38])([H:30])[H:31])[H:32])[H:22]', inchi_key='NEWBUEPRHACUCF-AWEZNQCLSA-N'), OptimizationResult(type='optimization', record_id='18435916', cmiles='[H:20][c:1]1[c:3]([c:6]([c:4]([c:2]([c:5]1[C:13]([H:33])([H:34])[H:35])[H:21])[H:23])[C:15]([H:39])([H:40])[N:17]2[C:7](=[O:19])[N:16]3[C@:12]([C:10]2([H:28])[H:29])([C:11]([N@@:18]([C:9]([C:8]3([H:24])[H:25])([H:26])[H:27])[C:14]([H:36])([H:37])[H:38])([H:30])[H:31])[H:32])[H:22]', inchi_key='NEWBUEPRHACUCF-AWEZNQCLSA-N'), OptimizationResult(type='optimization', record_id='18435917', cmiles='[H:20][c:1]1[c:3]([c:6]([c:4]([c:2]([c:5]1[C:13]([H:33])([H:34])[H:35])[H:21])[H:23])[C:15]([H:39])([H:40])[N:17]2[C:7](=[O:19])[N:16]3[C@:12]([C:10]2([H:28])[H:29])([C:11]([N@@:18]([C:9]([C:8]3([H:24])[H:25])([H:26])[H:27])[C:14]([H:36])([H:37])[H:38])([H:30])[H:31])[H:32])[H:22]', inchi_key='NEWBUEPRHACUCF-AWEZNQCLSA-N'), OptimizationResult(type='optimization', record_id='18435918', cmiles='[H:23][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[C:14]([F:20])([F:21])[F:22])[H:25])[c:9]2[n:15][c:7]3[c:8]([n:16]2[H:32])[C:11]([C:12]([C:13]([N:17]([C:10]3=[O:18])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])[F:19])[H:24]', inchi_key='NWZMRNCXFDIZRU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435919', cmiles='[H:23][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[C:14]([F:20])([F:21])[F:22])[H:25])[c:9]2[n:15][c:7]3[c:8]([n:16]2[H:32])[C:11]([C:12]([C:13]([N:17]([C:10]3=[O:18])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])[F:19])[H:24]', inchi_key='NWZMRNCXFDIZRU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435920', cmiles='[H:23][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[C:14]([F:20])([F:21])[F:22])[H:25])[c:9]2[n:15][c:7]3[c:8]([n:16]2[H:32])[C:11]([C:12]([C:13]([N:17]([C:10]3=[O:18])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])[F:19])[H:24]', inchi_key='NWZMRNCXFDIZRU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435921', cmiles='[H:23][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[C:14]([F:20])([F:21])[F:22])[H:25])[c:9]2[n:15][c:7]3[c:8]([n:16]2[H:32])[C:11]([C:12]([C:13]([N:17]([C:10]3=[O:18])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])[F:19])[H:24]', inchi_key='NWZMRNCXFDIZRU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435922', cmiles='[H:15][c:1]1[c:2]([c:4]2[c:6]([c:5]([c:3]1[H:17])[C:8](=[O:12])[O:14][C:10]([H:20])([H:21])[H:22])[O:13][C:9]([C:7]2=[O:11])([H:18])[H:19])[H:16]', inchi_key='ZWLVYTBECJRJBF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435923', cmiles='[H:15][c:1]1[c:2]([c:4]2[c:6]([c:5]([c:3]1[H:17])[C:8](=[O:12])[O:14][C:10]([H:20])([H:21])[H:22])[O:13][C:9]([C:7]2=[O:11])([H:18])[H:19])[H:16]', inchi_key='ZWLVYTBECJRJBF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435924', cmiles='[H:15][c:1]1[c:2]([c:4]([o:14][c:3]1[C@:7]2([C:6]([N:8]([C:5](=[O:12])[N:9]2[H:21])[H:20])([H:17])[H:18])[H:19])[N+:10](=[O:13])[O-:11])[H:16]', inchi_key='MJLBBLMFWOUPNB-SCSAIBSYSA-N'), OptimizationResult(type='optimization', record_id='18435934', cmiles='[H:15][c:1]1[c:2]([c:4]([o:14][c:3]1[C@:7]2([C:6]([N:8]([C:5](=[O:12])[N:9]2[H:21])[H:20])([H:17])[H:18])[H:19])[N+:10](=[O:13])[O-:11])[H:16]', inchi_key='MJLBBLMFWOUPNB-SCSAIBSYSA-N'), OptimizationResult(type='optimization', record_id='18435935', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[F:16])[F:14])[H:18]', inchi_key='SPTABTZTXPEFAI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435936', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[F:16])[F:14])[H:18]', inchi_key='SPTABTZTXPEFAI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435937', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[F:16])[F:14])[H:18]', inchi_key='SPTABTZTXPEFAI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435938', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[F:16])[F:14])[H:18]', inchi_key='SPTABTZTXPEFAI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18435988', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[F:16])[F:14])[H:18]', inchi_key='SPTABTZTXPEFAI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436016', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[F:16])[F:14])[H:18]', inchi_key='SPTABTZTXPEFAI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436017', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:15])[F:16])[F:14])[H:18]', inchi_key='SPTABTZTXPEFAI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436018', cmiles='[H:14][c:1]1[c:2]([c:7]2[c:6]([c:4]([c:9]([c:5]([n:11]2)[H:18])[Br:13])[H:17])[c:8]([c:3]1[H:16])[O:12][C:10]([H:19])([H:20])[H:21])[H:15]', inchi_key='ZWDNTOJIDPGGDV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436019', cmiles='[H:12][c:1]1[c:3]([c:6]([c:4]([c:2]([c:5]1/[N:9]=[C:7](\\[H:16])/[O:10][C:8]([H:17])([H:18])[H:19])[H:13])[H:15])[F:11])[H:14]', inchi_key='QBPRSVYEYXRRSH-UXBLZVDNSA-N'), OptimizationResult(type='optimization', record_id='18436020', cmiles='[H:13][c:1]1[c:3]([c:5]([c:4]([c:2]([c:6]1[Br:12])[C:7](=[O:8])[H:14])[F:10])[Cl:11])[F:9]', inchi_key='DRKDSVOIFMRTJR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436021', cmiles='[H:13][c:1]1[c:3]([s:11][c:5]([n:8]1)[C:7](=[O:10])[c:6]2[n:9][c:2]([c:4]([s:12]2)[H:16])[H:14])[H:15]', inchi_key='JNWGVJCGMNPJHV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436022', cmiles='[H:13][c:1]1[c:3]([s:11][c:5]([n:8]1)[C:7](=[O:10])[c:6]2[n:9][c:2]([c:4]([s:12]2)[H:16])[H:14])[H:15]', inchi_key='JNWGVJCGMNPJHV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436033', cmiles='[H:13][c:1]1[c:3]([s:11][c:5]([n:8]1)[C:7](=[O:10])[c:6]2[n:9][c:2]([c:4]([s:12]2)[H:16])[H:14])[H:15]', inchi_key='JNWGVJCGMNPJHV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436034', cmiles='[H:13][c:1]1[c:3]([s:11][c:5]([n:8]1)[C:7](=[O:10])[c:6]2[n:9][c:2]([c:4]([s:12]2)[H:16])[H:14])[H:15]', inchi_key='JNWGVJCGMNPJHV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436035', cmiles='[H:21][c:1]1[c:2]([c:6]([c:12]([c:9]([c:3]1[H:23])[c:13]2[n:15][c:14]([o:17][n:16]2)[c:8]3[c:4]([c:5]([c:10]([c:7]([c:11]3[Cl:19])[H:27])[Cl:18])[H:25])[H:24])[Br:20])[H:26])[H:22]', inchi_key='MSJONQGCEQKHBO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436036', cmiles='[H:21][c:1]1[c:2]([c:6]([c:12]([c:9]([c:3]1[H:23])[c:13]2[n:15][c:14]([o:17][n:16]2)[c:8]3[c:4]([c:5]([c:10]([c:7]([c:11]3[Cl:19])[H:27])[Cl:18])[H:25])[H:24])[Br:20])[H:26])[H:22]', inchi_key='MSJONQGCEQKHBO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436037', cmiles='[H:21][c:1]1[c:2]([c:6]([c:12]([c:9]([c:3]1[H:23])[c:13]2[n:15][c:14]([o:17][n:16]2)[c:8]3[c:4]([c:5]([c:10]([c:7]([c:11]3[Cl:19])[H:27])[Cl:18])[H:25])[H:24])[Br:20])[H:26])[H:22]', inchi_key='MSJONQGCEQKHBO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436038', cmiles='[H:21][c:1]1[c:2]([c:6]([c:12]([c:9]([c:3]1[H:23])[c:13]2[n:15][c:14]([o:17][n:16]2)[c:8]3[c:4]([c:5]([c:10]([c:7]([c:11]3[Cl:19])[H:27])[Cl:18])[H:25])[H:24])[Br:20])[H:26])[H:22]', inchi_key='MSJONQGCEQKHBO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436039', cmiles='[H:21][c:1]1[c:2]([c:6]([c:12]([c:9]([c:3]1[H:23])[c:13]2[n:15][c:14]([o:17][n:16]2)[c:8]3[c:4]([c:5]([c:10]([c:7]([c:11]3[Cl:19])[H:27])[Cl:18])[H:25])[H:24])[Br:20])[H:26])[H:22]', inchi_key='MSJONQGCEQKHBO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436040', cmiles='[H:21][c:1]1[c:2]([c:6]([c:12]([c:9]([c:3]1[H:23])[c:13]2[n:15][c:14]([o:17][n:16]2)[c:8]3[c:4]([c:5]([c:10]([c:7]([c:11]3[Cl:19])[H:27])[Cl:18])[H:25])[H:24])[Br:20])[H:26])[H:22]', inchi_key='MSJONQGCEQKHBO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436041', cmiles='[H:21][c:1]1[c:2]([c:6]([c:12]([c:9]([c:3]1[H:23])[c:13]2[n:15][c:14]([o:17][n:16]2)[c:8]3[c:4]([c:5]([c:10]([c:7]([c:11]3[Cl:19])[H:27])[Cl:18])[H:25])[H:24])[Br:20])[H:26])[H:22]', inchi_key='MSJONQGCEQKHBO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436042', cmiles='[H:21][c:1]1[c:2]([c:6]([c:12]([c:9]([c:3]1[H:23])[c:13]2[n:15][c:14]([o:17][n:16]2)[c:8]3[c:4]([c:5]([c:10]([c:7]([c:11]3[Cl:19])[H:27])[Cl:18])[H:25])[H:24])[Br:20])[H:26])[H:22]', inchi_key='MSJONQGCEQKHBO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436062', cmiles='[H:21][c:1]1[c:2]([c:6]([c:12]([c:9]([c:3]1[H:23])[c:13]2[n:15][c:14]([o:17][n:16]2)[c:8]3[c:4]([c:5]([c:10]([c:7]([c:11]3[Cl:19])[H:27])[Cl:18])[H:25])[H:24])[Br:20])[H:26])[H:22]', inchi_key='MSJONQGCEQKHBO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436063', cmiles='[H:21][c:1]1[c:2]([c:6]([c:12]([c:9]([c:3]1[H:23])[c:13]2[n:15][c:14]([o:17][n:16]2)[c:8]3[c:4]([c:5]([c:10]([c:7]([c:11]3[Cl:19])[H:27])[Cl:18])[H:25])[H:24])[Br:20])[H:26])[H:22]', inchi_key='MSJONQGCEQKHBO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436064', cmiles='[H:21][c:1]1[c:2]([c:6]([c:12]([c:9]([c:3]1[H:23])[c:13]2[n:15][c:14]([o:17][n:16]2)[c:8]3[c:4]([c:5]([c:10]([c:7]([c:11]3[Cl:19])[H:27])[Cl:18])[H:25])[H:24])[Br:20])[H:26])[H:22]', inchi_key='MSJONQGCEQKHBO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436065', cmiles='[H:21][c:1]1[c:2]([c:6]([c:12]([c:9]([c:3]1[H:23])[c:13]2[n:15][c:14]([o:17][n:16]2)[c:8]3[c:4]([c:5]([c:10]([c:7]([c:11]3[Cl:19])[H:27])[Cl:18])[H:25])[H:24])[Br:20])[H:26])[H:22]', inchi_key='MSJONQGCEQKHBO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436066', cmiles='[H:13][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[F:11])[H:15])/[C:7](=[N:9]\\[O:10][H:19])/[C:8]([H:16])([H:17])[H:18])[F:12])[H:14]', inchi_key='PNDLMUZXCOMQSH-WZUFQYTHSA-N'), OptimizationResult(type='optimization', record_id='18436067', cmiles='[H:13][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[F:11])[H:15])/[C:7](=[N:9]\\[O:10][H:19])/[C:8]([H:16])([H:17])[H:18])[F:12])[H:14]', inchi_key='PNDLMUZXCOMQSH-WZUFQYTHSA-N'), OptimizationResult(type='optimization', record_id='18436068', cmiles='[H:22][c:1]1[c:3]([c:12]([c:4]([c:2]([c:9]1/[N:15]=[N:16]\\[c:10]2[c:7]([c:5]([c:11]([c:6]([c:8]2[C:14]([H:31])([H:32])[H:33])[H:27])[O:19][H:34])[H:26])[C:13]([H:28])([H:29])[H:30])[H:23])[H:25])[S:21](=[O:17])(=[O:18])[O:20][H:35])[H:24]', inchi_key='GDIOPISJWZEDKM-NXVVXOECSA-N'), OptimizationResult(type='optimization', record_id='18436069', cmiles='[H:22][c:1]1[c:3]([c:12]([c:4]([c:2]([c:9]1/[N:15]=[N:16]\\[c:10]2[c:7]([c:5]([c:11]([c:6]([c:8]2[C:14]([H:31])([H:32])[H:33])[H:27])[O:19][H:34])[H:26])[C:13]([H:28])([H:29])[H:30])[H:23])[H:25])[S:21](=[O:17])(=[O:18])[O:20][H:35])[H:24]', inchi_key='GDIOPISJWZEDKM-NXVVXOECSA-N'), OptimizationResult(type='optimization', record_id='18436070', cmiles='[H:18][c:1]1[c:2]([c:6]([c:3]([c:7]([c:5]1/[C:9](=[N:12]/[N:15]([H:25])[c:8]2[n:11][n:10][c:4]([n:13]2[N:14]([H:23])[H:24])[H:21])/[H:22])[Cl:17])[H:20])[Cl:16])[H:19]', inchi_key='LWLOXPOJYQNJLG-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18436071', cmiles='[H:18][c:1]1[c:2]([c:6]([c:3]([c:7]([c:5]1/[C:9](=[N:12]/[N:15]([H:25])[c:8]2[n:11][n:10][c:4]([n:13]2[N:14]([H:23])[H:24])[H:21])/[H:22])[Cl:17])[H:20])[Cl:16])[H:19]', inchi_key='LWLOXPOJYQNJLG-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18436072', cmiles='[H:18][c:1]1[c:2]([c:6]([c:3]([c:7]([c:5]1/[C:9](=[N:12]/[N:15]([H:25])[c:8]2[n:11][n:10][c:4]([n:13]2[N:14]([H:23])[H:24])[H:21])/[H:22])[Cl:17])[H:20])[Cl:16])[H:19]', inchi_key='LWLOXPOJYQNJLG-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18436073', cmiles='[H:18][c:1]1[c:2]([c:6]([c:3]([c:7]([c:5]1/[C:9](=[N:12]/[N:15]([H:25])[c:8]2[n:11][n:10][c:4]([n:13]2[N:14]([H:23])[H:24])[H:21])/[H:22])[Cl:17])[H:20])[Cl:16])[H:19]', inchi_key='LWLOXPOJYQNJLG-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18436074', cmiles='[H:18][c:1]1[c:2]([c:6]([c:3]([c:7]([c:5]1/[C:9](=[N:12]/[N:15]([H:25])[c:8]2[n:11][n:10][c:4]([n:13]2[N:14]([H:23])[H:24])[H:21])/[H:22])[Cl:17])[H:20])[Cl:16])[H:19]', inchi_key='LWLOXPOJYQNJLG-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18436075', cmiles='[H:18][c:1]1[c:2]([c:6]([c:3]([c:7]([c:5]1/[C:9](=[N:12]/[N:15]([H:25])[c:8]2[n:11][n:10][c:4]([n:13]2[N:14]([H:23])[H:24])[H:21])/[H:22])[Cl:17])[H:20])[Cl:16])[H:19]', inchi_key='LWLOXPOJYQNJLG-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18436076', cmiles='[H:18][c:1]1[c:2]([c:6]([c:3]([c:7]([c:5]1/[C:9](=[N:12]/[N:15]([H:25])[c:8]2[n:11][n:10][c:4]([n:13]2[N:14]([H:23])[H:24])[H:21])/[H:22])[Cl:17])[H:20])[Cl:16])[H:19]', inchi_key='LWLOXPOJYQNJLG-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18436077', cmiles='[H:18][c:1]1[c:2]([c:6]([c:3]([c:7]([c:5]1/[C:9](=[N:12]/[N:15]([H:25])[c:8]2[n:11][n:10][c:4]([n:13]2[N:14]([H:23])[H:24])[H:21])/[H:22])[Cl:17])[H:20])[Cl:16])[H:19]', inchi_key='LWLOXPOJYQNJLG-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18436078', cmiles='[H:15][c:1]1[c:2]([c:5]([c:9]2[c:8]([c:4]1[H:18])[c:6]([c:3]([c:7]([c:10]2[C@@:13]3([C:11]([C:12]([N:14]3[H:27])([H:24])[H:25])([H:22])[H:23])[H:26])[H:21])[H:17])[H:20])[H:19])[H:16]', inchi_key='QLVAWUHXMSCFOX-ZDUSSCGKSA-N'), OptimizationResult(type='optimization', record_id='18436079', cmiles='[H:17][c:1]1[c:5]([c:7]([c:2]([c:8]([c:6]1[F:13])[F:15])[H:18])[F:14])[C:10](=[O:12])[c:9]2[n:11][c:3]([c:4]([s:16]2)[H:20])[H:19]', inchi_key='XQCMHSHMHAFLLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436080', cmiles='[H:17][c:1]1[c:5]([c:7]([c:2]([c:8]([c:6]1[F:13])[F:15])[H:18])[F:14])[C:10](=[O:12])[c:9]2[n:11][c:3]([c:4]([s:16]2)[H:20])[H:19]', inchi_key='XQCMHSHMHAFLLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436081', cmiles='[H:17][c:1]1[c:5]([c:7]([c:2]([c:8]([c:6]1[F:13])[F:15])[H:18])[F:14])[C:10](=[O:12])[c:9]2[n:11][c:3]([c:4]([s:16]2)[H:20])[H:19]', inchi_key='XQCMHSHMHAFLLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436082', cmiles='[H:17][c:1]1[c:5]([c:7]([c:2]([c:8]([c:6]1[F:13])[F:15])[H:18])[F:14])[C:10](=[O:12])[c:9]2[n:11][c:3]([c:4]([s:16]2)[H:20])[H:19]', inchi_key='XQCMHSHMHAFLLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436083', cmiles='[H:17][c:1]1[c:5]([c:7]([c:2]([c:8]([c:6]1[F:13])[F:15])[H:18])[F:14])[C:10](=[O:12])[c:9]2[n:11][c:3]([c:4]([s:16]2)[H:20])[H:19]', inchi_key='XQCMHSHMHAFLLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436084', cmiles='[H:17][c:1]1[c:5]([c:7]([c:2]([c:8]([c:6]1[F:13])[F:15])[H:18])[F:14])[C:10](=[O:12])[c:9]2[n:11][c:3]([c:4]([s:16]2)[H:20])[H:19]', inchi_key='XQCMHSHMHAFLLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436085', cmiles='[H:17][c:1]1[c:5]([c:7]([c:2]([c:8]([c:6]1[F:13])[F:15])[H:18])[F:14])[C:10](=[O:12])[c:9]2[n:11][c:3]([c:4]([s:16]2)[H:20])[H:19]', inchi_key='XQCMHSHMHAFLLO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436086', cmiles='[H:24][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:26])[C:19]([H:48])([H:49])[N@@:22]2[C:12]([C@:13]([C@@:14]([C:10]([C:11]2([H:31])[H:32])([H:29])[H:30])([C:18]([H:45])([H:46])[H:47])[O:23][H:50])([H:35])[C:17]([H:42])([H:43])[H:44])([H:33])[H:34])[n:21]3[c:9]([c:5]([c:8]([n:20]3)[C:15]([H:36])([H:37])[H:38])[H:28])[C:16]([H:39])([H:40])[H:41])[H:27])[H:25]', inchi_key='SGNRMQUCPLMUAZ-LIRRHRJNSA-N'), OptimizationResult(type='optimization', record_id='18436087', cmiles='[H:24][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:26])[C:19]([H:48])([H:49])[N@@:22]2[C:12]([C@:13]([C@@:14]([C:10]([C:11]2([H:31])[H:32])([H:29])[H:30])([C:18]([H:45])([H:46])[H:47])[O:23][H:50])([H:35])[C:17]([H:42])([H:43])[H:44])([H:33])[H:34])[n:21]3[c:9]([c:5]([c:8]([n:20]3)[C:15]([H:36])([H:37])[H:38])[H:28])[C:16]([H:39])([H:40])[H:41])[H:27])[H:25]', inchi_key='SGNRMQUCPLMUAZ-LIRRHRJNSA-N'), OptimizationResult(type='optimization', record_id='18436088', cmiles='[H:24][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:26])[C:19]([H:48])([H:49])[N@@:22]2[C:12]([C@:13]([C@@:14]([C:10]([C:11]2([H:31])[H:32])([H:29])[H:30])([C:18]([H:45])([H:46])[H:47])[O:23][H:50])([H:35])[C:17]([H:42])([H:43])[H:44])([H:33])[H:34])[n:21]3[c:9]([c:5]([c:8]([n:20]3)[C:15]([H:36])([H:37])[H:38])[H:28])[C:16]([H:39])([H:40])[H:41])[H:27])[H:25]', inchi_key='SGNRMQUCPLMUAZ-LIRRHRJNSA-N'), OptimizationResult(type='optimization', record_id='18436089', cmiles='[H:24][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:26])[C:19]([H:48])([H:49])[N@@:22]2[C:12]([C@:13]([C@@:14]([C:10]([C:11]2([H:31])[H:32])([H:29])[H:30])([C:18]([H:45])([H:46])[H:47])[O:23][H:50])([H:35])[C:17]([H:42])([H:43])[H:44])([H:33])[H:34])[n:21]3[c:9]([c:5]([c:8]([n:20]3)[C:15]([H:36])([H:37])[H:38])[H:28])[C:16]([H:39])([H:40])[H:41])[H:27])[H:25]', inchi_key='SGNRMQUCPLMUAZ-LIRRHRJNSA-N'), OptimizationResult(type='optimization', record_id='18436090', cmiles='[H:24][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:26])[C:19]([H:48])([H:49])[N@@:22]2[C:12]([C@:13]([C@@:14]([C:10]([C:11]2([H:31])[H:32])([H:29])[H:30])([C:18]([H:45])([H:46])[H:47])[O:23][H:50])([H:35])[C:17]([H:42])([H:43])[H:44])([H:33])[H:34])[n:21]3[c:9]([c:5]([c:8]([n:20]3)[C:15]([H:36])([H:37])[H:38])[H:28])[C:16]([H:39])([H:40])[H:41])[H:27])[H:25]', inchi_key='SGNRMQUCPLMUAZ-LIRRHRJNSA-N'), OptimizationResult(type='optimization', record_id='18436091', cmiles='[H:24][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:26])[C:19]([H:48])([H:49])[N@@:22]2[C:12]([C@:13]([C@@:14]([C:10]([C:11]2([H:31])[H:32])([H:29])[H:30])([C:18]([H:45])([H:46])[H:47])[O:23][H:50])([H:35])[C:17]([H:42])([H:43])[H:44])([H:33])[H:34])[n:21]3[c:9]([c:5]([c:8]([n:20]3)[C:15]([H:36])([H:37])[H:38])[H:28])[C:16]([H:39])([H:40])[H:41])[H:27])[H:25]', inchi_key='SGNRMQUCPLMUAZ-LIRRHRJNSA-N'), OptimizationResult(type='optimization', record_id='18436092', cmiles='[H:24][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:26])[C:19]([H:48])([H:49])[N@@:22]2[C:12]([C@:13]([C@@:14]([C:10]([C:11]2([H:31])[H:32])([H:29])[H:30])([C:18]([H:45])([H:46])[H:47])[O:23][H:50])([H:35])[C:17]([H:42])([H:43])[H:44])([H:33])[H:34])[n:21]3[c:9]([c:5]([c:8]([n:20]3)[C:15]([H:36])([H:37])[H:38])[H:28])[C:16]([H:39])([H:40])[H:41])[H:27])[H:25]', inchi_key='SGNRMQUCPLMUAZ-LIRRHRJNSA-N'), OptimizationResult(type='optimization', record_id='18436093', cmiles='[H:24][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:26])[C:19]([H:48])([H:49])[N@@:22]2[C:12]([C@:13]([C@@:14]([C:10]([C:11]2([H:31])[H:32])([H:29])[H:30])([C:18]([H:45])([H:46])[H:47])[O:23][H:50])([H:35])[C:17]([H:42])([H:43])[H:44])([H:33])[H:34])[n:21]3[c:9]([c:5]([c:8]([n:20]3)[C:15]([H:36])([H:37])[H:38])[H:28])[C:16]([H:39])([H:40])[H:41])[H:27])[H:25]', inchi_key='SGNRMQUCPLMUAZ-LIRRHRJNSA-N'), OptimizationResult(type='optimization', record_id='18436094', cmiles='[H:24][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:26])[C:19]([H:48])([H:49])[N@@:22]2[C:12]([C@:13]([C@@:14]([C:10]([C:11]2([H:31])[H:32])([H:29])[H:30])([C:18]([H:45])([H:46])[H:47])[O:23][H:50])([H:35])[C:17]([H:42])([H:43])[H:44])([H:33])[H:34])[n:21]3[c:9]([c:5]([c:8]([n:20]3)[C:15]([H:36])([H:37])[H:38])[H:28])[C:16]([H:39])([H:40])[H:41])[H:27])[H:25]', inchi_key='SGNRMQUCPLMUAZ-LIRRHRJNSA-N'), OptimizationResult(type='optimization', record_id='18436095', cmiles='[H:24][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:26])[C:19]([H:48])([H:49])[N@@:22]2[C:12]([C@:13]([C@@:14]([C:10]([C:11]2([H:31])[H:32])([H:29])[H:30])([C:18]([H:45])([H:46])[H:47])[O:23][H:50])([H:35])[C:17]([H:42])([H:43])[H:44])([H:33])[H:34])[n:21]3[c:9]([c:5]([c:8]([n:20]3)[C:15]([H:36])([H:37])[H:38])[H:28])[C:16]([H:39])([H:40])[H:41])[H:27])[H:25]', inchi_key='SGNRMQUCPLMUAZ-LIRRHRJNSA-N'), OptimizationResult(type='optimization', record_id='18436096', cmiles='[H:24][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:26])[C:19]([H:48])([H:49])[N@@:22]2[C:12]([C@:13]([C@@:14]([C:10]([C:11]2([H:31])[H:32])([H:29])[H:30])([C:18]([H:45])([H:46])[H:47])[O:23][H:50])([H:35])[C:17]([H:42])([H:43])[H:44])([H:33])[H:34])[n:21]3[c:9]([c:5]([c:8]([n:20]3)[C:15]([H:36])([H:37])[H:38])[H:28])[C:16]([H:39])([H:40])[H:41])[H:27])[H:25]', inchi_key='SGNRMQUCPLMUAZ-LIRRHRJNSA-N'), OptimizationResult(type='optimization', record_id='18436097', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1/[C:7](=[N:10]/[O:12][H:26])/[N:11]([H:24])[H:25])[O:14][C:9]([H:21])([H:22])[H:23])[H:17])[O:13][C:8]([H:18])([H:19])[H:20])[H:16]', inchi_key='HYELDGUNYOPEMH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436098', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1/[C:7](=[N:10]/[O:12][H:26])/[N:11]([H:24])[H:25])[O:14][C:9]([H:21])([H:22])[H:23])[H:17])[O:13][C:8]([H:18])([H:19])[H:20])[H:16]', inchi_key='HYELDGUNYOPEMH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436099', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1/[C:7](=[N:10]/[O:12][H:26])/[N:11]([H:24])[H:25])[O:14][C:9]([H:21])([H:22])[H:23])[H:17])[O:13][C:8]([H:18])([H:19])[H:20])[H:16]', inchi_key='HYELDGUNYOPEMH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436100', cmiles='[H:15][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1/[C:7](=[N:10]/[O:12][H:26])/[N:11]([H:24])[H:25])[O:14][C:9]([H:21])([H:22])[H:23])[H:17])[O:13][C:8]([H:18])([H:19])[H:20])[H:16]', inchi_key='HYELDGUNYOPEMH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436101', cmiles='[H:15][c:1]1[c:3]([c:7]([c:4]([c:2]([c:6]1[F:12])[H:16])[H:18])[S:14][c:9]2[n:11][c:8]([c:5]([s:13]2)[H:19])[C:10]([H:20])([H:21])[H:22])[H:17]', inchi_key='OQHANCHMZXHEGG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436102', cmiles='[H:15][c:1]1[c:3]([c:7]([c:4]([c:2]([c:6]1[F:12])[H:16])[H:18])[S:14][c:9]2[n:11][c:8]([c:5]([s:13]2)[H:19])[C:10]([H:20])([H:21])[H:22])[H:17]', inchi_key='OQHANCHMZXHEGG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436103', cmiles='[H:15][c:1]1[c:3]([c:7]([c:4]([c:2]([c:6]1[F:12])[H:16])[H:18])[S:14][c:9]2[n:11][c:8]([c:5]([s:13]2)[H:19])[C:10]([H:20])([H:21])[H:22])[H:17]', inchi_key='OQHANCHMZXHEGG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436104', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[C@:9]2([C:8]([O:15][C:7](=[O:13])[N:10]2[H:23])([H:20])[H:21])[H:22])[N+:11](=[O:14])[O-:12])[H:19])[H:17]', inchi_key='OHHBKJIHNBPDKV-SSDOTTSWSA-N'), OptimizationResult(type='optimization', record_id='18436105', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[C@:9]2([C:8]([O:15][C:7](=[O:13])[N:10]2[H:23])([H:20])[H:21])[H:22])[N+:11](=[O:14])[O-:12])[H:19])[H:17]', inchi_key='OHHBKJIHNBPDKV-SSDOTTSWSA-N'), OptimizationResult(type='optimization', record_id='18436106', cmiles='[H:12][c:1]1[c:3]([n:10][c:5]([c:2]([c:4]1[Cl:11])[H:13])[C:8]2([C:6]([C:7]2([H:17])[H:18])([H:15])[H:16])[C:9]([H:19])([H:20])[H:21])[H:14]', inchi_key='CIITYIVRPZZWNF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436107', cmiles='[H:12][c:1]1[c:3]([n:10][c:5]([c:2]([c:4]1[Cl:11])[H:13])[C:8]2([C:6]([C:7]2([H:17])[H:18])([H:15])[H:16])[C:9]([H:19])([H:20])[H:21])[H:14]', inchi_key='CIITYIVRPZZWNF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436108', cmiles='[H:11][c:2]1[c:3]([c:6]([c:5]([c:7]([c:4]1[H:13])[F:10])[H:14])[N:8]=[C:1]=[O:9])[H:12]', inchi_key='RIKWVZGZRYDACA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436109', cmiles='[H:10][c:1]1[c:2]([n:7][c:4]([c:3]([n:6]1)[C:5](=[O:8])[H:12])[Br:9])[H:11]', inchi_key='YEUFXMPHEYKKGP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436110', cmiles='[H:16][c:1]1[c:2]([c:5]([c:6]([c:4]([c:3]1[O:13][C:10]([H:22])([H:23])[H:24])[O:12][H:26])[Br:15])[Br:14])[C@@:9]2([C:7]([C:8]([N:11]2[H:25])([H:19])[H:20])([H:17])[H:18])[H:21]', inchi_key='DDAXVRSQTZHKOA-LURJTMIESA-N'), OptimizationResult(type='optimization', record_id='18436111', cmiles='[H:16][c:1]1[c:2]([c:5]([c:6]([c:4]([c:3]1[O:13][C:10]([H:22])([H:23])[H:24])[O:12][H:26])[Br:15])[Br:14])[C@@:9]2([C:7]([C:8]([N:11]2[H:25])([H:19])[H:20])([H:17])[H:18])[H:21]', inchi_key='DDAXVRSQTZHKOA-LURJTMIESA-N'), OptimizationResult(type='optimization', record_id='18436112', cmiles='[H:22][c:1]1[c:3]([n:14][c:4]([c:2]([c:5]1/[C:12](=[N:15]/[N:16]([H:29])[c:6]2[c:7]([c:9]([c:11]([c:10]([c:8]2[F:18])[F:20])[Br:21])[F:19])[F:17])/[C:13]([H:26])([H:27])[H:28])[H:23])[H:25])[H:24]', inchi_key='XFLWODKPIYJCHF-CGOBSMCZSA-N'), OptimizationResult(type='optimization', record_id='18436113', cmiles='[H:22][c:1]1[c:3]([n:14][c:4]([c:2]([c:5]1/[C:12](=[N:15]/[N:16]([H:29])[c:6]2[c:7]([c:9]([c:11]([c:10]([c:8]2[F:18])[F:20])[Br:21])[F:19])[F:17])/[C:13]([H:26])([H:27])[H:28])[H:23])[H:25])[H:24]', inchi_key='XFLWODKPIYJCHF-CGOBSMCZSA-N'), OptimizationResult(type='optimization', record_id='18436114', cmiles='[H:22][c:1]1[c:3]([n:14][c:4]([c:2]([c:5]1/[C:12](=[N:15]/[N:16]([H:29])[c:6]2[c:7]([c:9]([c:11]([c:10]([c:8]2[F:18])[F:20])[Br:21])[F:19])[F:17])/[C:13]([H:26])([H:27])[H:28])[H:23])[H:25])[H:24]', inchi_key='XFLWODKPIYJCHF-CGOBSMCZSA-N'), OptimizationResult(type='optimization', record_id='18436115', cmiles='[H:22][c:1]1[c:3]([n:14][c:4]([c:2]([c:5]1/[C:12](=[N:15]/[N:16]([H:29])[c:6]2[c:7]([c:9]([c:11]([c:10]([c:8]2[F:18])[F:20])[Br:21])[F:19])[F:17])/[C:13]([H:26])([H:27])[H:28])[H:23])[H:25])[H:24]', inchi_key='XFLWODKPIYJCHF-CGOBSMCZSA-N'), OptimizationResult(type='optimization', record_id='18436116', cmiles='[H:13][c:2]1[c:4]([n:10][c:3]([c:5]([n:11]1)[Br:12])[H:14])[C:8]2([C:6]([C:7]2([H:17])[H:18])([H:15])[H:16])[C:1]#[N:9]', inchi_key='QXESNBZJAZVLGG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436117', cmiles='[H:13][c:2]1[c:4]([n:10][c:3]([c:5]([n:11]1)[Br:12])[H:14])[C:8]2([C:6]([C:7]2([H:17])[H:18])([H:15])[H:16])[C:1]#[N:9]', inchi_key='QXESNBZJAZVLGG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436171', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[Br:12])[H:16])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[H:14]', inchi_key='XCQACIIZCQFPRV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436172', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[Br:12])[H:16])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[H:14]', inchi_key='XCQACIIZCQFPRV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436173', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[Br:12])[H:16])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[H:14]', inchi_key='XCQACIIZCQFPRV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436174', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[Br:12])[H:16])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[H:14]', inchi_key='XCQACIIZCQFPRV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436175', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[Br:12])[H:16])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[H:14]', inchi_key='XCQACIIZCQFPRV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436176', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[Br:12])[H:16])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[H:14]', inchi_key='XCQACIIZCQFPRV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436177', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[Br:12])[H:16])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[H:14]', inchi_key='XCQACIIZCQFPRV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436178', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[Br:12])[H:16])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[H:14]', inchi_key='XCQACIIZCQFPRV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436179', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[Br:12])[H:16])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[H:14]', inchi_key='XCQACIIZCQFPRV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436180', cmiles='[H:12][c:1]1[c:2]([c:4]([s:10][c:3]1[C:7]([H:19])([H:20])[N:9]([H:23])[C:8]([H:21])([H:22])[C:6]([H:16])([H:17])[H:18])[C:5]([H:13])([H:14])[H:15])[Br:11]', inchi_key='JNLXJQWHQPUNIV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436181', cmiles='[H:12][c:1]1[c:2]([c:4]([s:10][c:3]1[C:7]([H:19])([H:20])[N:9]([H:23])[C:8]([H:21])([H:22])[C:6]([H:16])([H:17])[H:18])[C:5]([H:13])([H:14])[H:15])[Br:11]', inchi_key='JNLXJQWHQPUNIV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436182', cmiles='[H:12][c:1]1[c:2]([c:4]([s:10][c:3]1[C:7]([H:19])([H:20])[N:9]([H:23])[C:8]([H:21])([H:22])[C:6]([H:16])([H:17])[H:18])[C:5]([H:13])([H:14])[H:15])[Br:11]', inchi_key='JNLXJQWHQPUNIV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436183', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[F:14])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[H:18])[Br:15])[H:17]', inchi_key='DIFRVPYRUGWIHY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436184', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[F:14])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[H:18])[Br:15])[H:17]', inchi_key='DIFRVPYRUGWIHY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436185', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[F:14])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[H:18])[Br:15])[H:17]', inchi_key='DIFRVPYRUGWIHY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436186', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[F:14])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[H:18])[Br:15])[H:17]', inchi_key='DIFRVPYRUGWIHY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436187', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[F:14])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[H:18])[Br:15])[H:17]', inchi_key='DIFRVPYRUGWIHY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436188', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[F:14])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[H:18])[Br:15])[H:17]', inchi_key='DIFRVPYRUGWIHY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436189', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[F:14])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[H:18])[Br:15])[H:17]', inchi_key='DIFRVPYRUGWIHY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436190', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[F:14])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[H:18])[Br:15])[H:17]', inchi_key='DIFRVPYRUGWIHY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436191', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[F:14])[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[H:18])[Br:15])[H:17]', inchi_key='DIFRVPYRUGWIHY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436192', cmiles='[H:12][C:4]([H:13])([H:14])[n:8]1[n:6][c:1]([c:2]([n:7]1)[Br:11])[C:3](=[O:9])[O:10][C:5]([H:15])([H:16])[H:17]', inchi_key='BSHWJBSHZPLXDB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436193', cmiles='[H:12][C:4]([H:13])([H:14])[n:8]1[n:6][c:1]([c:2]([n:7]1)[Br:11])[C:3](=[O:9])[O:10][C:5]([H:15])([H:16])[H:17]', inchi_key='BSHWJBSHZPLXDB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436194', cmiles='[H:15][c:1]1[c:2]([c:8]([c:3]([c:5]2[c:7]1[n:12]([c:4]([c:6]2[C@@:11]3([C:9]([C:10]([N:13]3[H:25])([H:21])[H:22])([H:19])[H:20])[H:23])[H:18])[H:24])[H:17])[Br:14])[H:16]', inchi_key='ZODLFYXQNIKEFB-NSHDSACASA-N'), OptimizationResult(type='optimization', record_id='18436195', cmiles='[H:15][c:1]1[c:2]([c:8]([c:3]([c:5]2[c:7]1[n:12]([c:4]([c:6]2[C@@:11]3([C:9]([C:10]([N:13]3[H:25])([H:21])[H:22])([H:19])[H:20])[H:23])[H:18])[H:24])[H:17])[Br:14])[H:16]', inchi_key='ZODLFYXQNIKEFB-NSHDSACASA-N'), OptimizationResult(type='optimization', record_id='18436196', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436197', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436198', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436199', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436200', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436201', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436202', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436203', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436204', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436205', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436206', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436207', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436208', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436209', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436210', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436211', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436212', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436221', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436231', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436232', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436233', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436234', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436235', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436236', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436237', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436268', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436275', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436276', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436277', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436278', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436279', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436280', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436281', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436282', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436283', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436284', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436285', cmiles='[H:25][c:2]1[c:3]([c:5]([c:9]([c:8]([c:4]1[H:27])[C:1]#[N:21])[c:10]2[c:6]([c:7]([c:11]([o:24]2)[C:20]([H:46])([H:47])[N@:23]3[C@@:18]4([C:13]([C:12]([C@:17]([C:15]3([H:37])[H:38])([C:14]([N@@:22]([C:16]4([H:39])[H:40])[C:19]([H:43])([H:44])[H:45])([H:35])[H:36])[H:41])([H:31])[H:32])([H:33])[H:34])[H:42])[H:30])[H:29])[H:28])[H:26]', inchi_key='YQUXYBCBFFXNMK-DOTOQJQBSA-N'), OptimizationResult(type='optimization', record_id='18436286', cmiles='[H:17][c:1]1[c:4]([c:2]([c:6]([c:3]([c:5]1[O:9][C:8]([Cl:14])([Cl:15])[Cl:16])[H:19])[F:10])[H:18])[C:7]([F:11])([F:12])[F:13]', inchi_key='YTXJJJNOCXPAHL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436287', cmiles='[H:17][c:1]1[c:4]([c:2]([c:6]([c:3]([c:5]1[O:9][C:8]([Cl:14])([Cl:15])[Cl:16])[H:19])[F:10])[H:18])[C:7]([F:11])([F:12])[F:13]', inchi_key='YTXJJJNOCXPAHL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436288', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436289', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436290', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436291', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436292', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436293', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436294', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436295', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436357', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436358', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436359', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436360', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436361', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436362', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436363', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436364', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436365', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436366', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436367', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436368', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436369', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436370', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436371', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436372', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436373', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436374', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436375', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436376', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436377', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436378', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436379', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436380', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436381', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436382', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436383', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436384', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[C:11](=[O:19])[N:18]([S:23]2(=[O:21])=[O:22])[C:16]([H:38])([H:39])[C:12](=[O:20])[c:7]3[c:5]([c:9]([n:17]([c:10]3[C:14]([H:32])([H:33])[H:34])[C:15]([H:35])([H:36])[H:37])[C:13]([H:29])([H:30])[H:31])[H:28])[H:27])[H:25]', inchi_key='HXNJSRPYHHDJGX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436385', cmiles='[H:13][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:15])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[Cl:12])[H:16])[H:14]', inchi_key='OEHLAWFHUYIZSH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436386', cmiles='[H:13][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:15])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[Cl:12])[H:16])[H:14]', inchi_key='OEHLAWFHUYIZSH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436387', cmiles='[H:13][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:15])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[Cl:12])[H:16])[H:14]', inchi_key='OEHLAWFHUYIZSH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436388', cmiles='[H:13][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:15])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[Cl:12])[H:16])[H:14]', inchi_key='OEHLAWFHUYIZSH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436389', cmiles='[H:13][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:15])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[Cl:12])[H:16])[H:14]', inchi_key='OEHLAWFHUYIZSH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436390', cmiles='[H:13][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:15])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[Cl:12])[H:16])[H:14]', inchi_key='OEHLAWFHUYIZSH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436400', cmiles='[H:13][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:15])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[Cl:12])[H:16])[H:14]', inchi_key='OEHLAWFHUYIZSH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436401', cmiles='[H:21][c:1]1[c:2]([c:7]([c:6]2[c:4]([c:5]([n:17]([c:8]2[c:3]1[H:23])[H:32])[H:25])[H:24])[c:11]3[n:16][c:9]4[c:10]([n:18]3[H:33])[C:13]([C:14]([C:15]([N:19]([C:12]4=[O:20])[H:34])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])[H:22]', inchi_key='IKSAUIFVBLFUGT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436402', cmiles='[H:21][c:1]1[c:2]([c:7]([c:6]2[c:4]([c:5]([n:17]([c:8]2[c:3]1[H:23])[H:32])[H:25])[H:24])[c:11]3[n:16][c:9]4[c:10]([n:18]3[H:33])[C:13]([C:14]([C:15]([N:19]([C:12]4=[O:20])[H:34])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])[H:22]', inchi_key='IKSAUIFVBLFUGT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436403', cmiles='[H:21][c:1]1[c:2]([c:7]([c:6]2[c:4]([c:5]([n:17]([c:8]2[c:3]1[H:23])[H:32])[H:25])[H:24])[c:11]3[n:16][c:9]4[c:10]([n:18]3[H:33])[C:13]([C:14]([C:15]([N:19]([C:12]4=[O:20])[H:34])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])[H:22]', inchi_key='IKSAUIFVBLFUGT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436404', cmiles='[H:21][c:1]1[c:2]([c:7]([c:6]2[c:4]([c:5]([n:17]([c:8]2[c:3]1[H:23])[H:32])[H:25])[H:24])[c:11]3[n:16][c:9]4[c:10]([n:18]3[H:33])[C:13]([C:14]([C:15]([N:19]([C:12]4=[O:20])[H:34])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])[H:22]', inchi_key='IKSAUIFVBLFUGT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436405', cmiles='[H:10][c:1]1[c:2]([s:9][c:4]([c:3]1[C:5]([H:12])([H:13])[H:14])[C@:7]([H:18])([C:6]([H:15])([H:16])[H:17])[N:8]([H:19])[H:20])[H:11]', inchi_key='VYGBXFLXFUAKPN-LURJTMIESA-N'), OptimizationResult(type='optimization', record_id='18436406', cmiles='[H:10][c:1]1[c:2]([s:9][c:4]([c:3]1[C:5]([H:12])([H:13])[H:14])[C@:7]([H:18])([C:6]([H:15])([H:16])[H:17])[N:8]([H:19])[H:20])[H:11]', inchi_key='VYGBXFLXFUAKPN-LURJTMIESA-N'), OptimizationResult(type='optimization', record_id='18436407', cmiles='[H:18][c:1]1[c:2]([c:5]([c:11]([c:6]([c:3]1[H:20])[H:23])[N:15]([H:29])[C:13](=[O:16])[c:9]2[c:4]([c:7]([c:12]([c:10]([c:8]2[H:25])[C:14]([H:26])([H:27])[H:28])[Br:17])[H:24])[H:21])[H:22])[H:19]', inchi_key='DITUUIPFJXYABP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436408', cmiles='[H:18][c:1]1[c:2]([c:5]([c:11]([c:6]([c:3]1[H:20])[H:23])[N:15]([H:29])[C:13](=[O:16])[c:9]2[c:4]([c:7]([c:12]([c:10]([c:8]2[H:25])[C:14]([H:26])([H:27])[H:28])[Br:17])[H:24])[H:21])[H:22])[H:19]', inchi_key='DITUUIPFJXYABP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436409', cmiles='[H:25][c:3]1[c:4]([c:10]([c:14]([c:12]([c:7]1[H:29])[c:15]2[n:22][c:16]([o:24][n:23]2)/[C:18](=[C:17](\\[H:33])/[c:13]3[c:8]([c:5]([c:11]([c:6]([c:9]3[H:31])[H:28])[C:1]#[N:20])[H:27])[H:30])/[C:2]#[N:21])[C:19]([H:34])([H:35])[H:36])[H:32])[H:26]', inchi_key='GRIOEFJNPLMEJI-MHWRWJLKSA-N'), OptimizationResult(type='optimization', record_id='18436410', cmiles='[H:25][c:3]1[c:4]([c:10]([c:14]([c:12]([c:7]1[H:29])[c:15]2[n:22][c:16]([o:24][n:23]2)/[C:18](=[C:17](\\[H:33])/[c:13]3[c:8]([c:5]([c:11]([c:6]([c:9]3[H:31])[H:28])[C:1]#[N:20])[H:27])[H:30])/[C:2]#[N:21])[C:19]([H:34])([H:35])[H:36])[H:32])[H:26]', inchi_key='GRIOEFJNPLMEJI-MHWRWJLKSA-N'), OptimizationResult(type='optimization', record_id='18436411', cmiles='[H:25][c:3]1[c:4]([c:10]([c:14]([c:12]([c:7]1[H:29])[c:15]2[n:22][c:16]([o:24][n:23]2)/[C:18](=[C:17](\\[H:33])/[c:13]3[c:8]([c:5]([c:11]([c:6]([c:9]3[H:31])[H:28])[C:1]#[N:20])[H:27])[H:30])/[C:2]#[N:21])[C:19]([H:34])([H:35])[H:36])[H:32])[H:26]', inchi_key='GRIOEFJNPLMEJI-MHWRWJLKSA-N'), OptimizationResult(type='optimization', record_id='18436412', cmiles='[H:25][c:3]1[c:4]([c:10]([c:14]([c:12]([c:7]1[H:29])[c:15]2[n:22][c:16]([o:24][n:23]2)/[C:18](=[C:17](\\[H:33])/[c:13]3[c:8]([c:5]([c:11]([c:6]([c:9]3[H:31])[H:28])[C:1]#[N:20])[H:27])[H:30])/[C:2]#[N:21])[C:19]([H:34])([H:35])[H:36])[H:32])[H:26]', inchi_key='GRIOEFJNPLMEJI-MHWRWJLKSA-N'), OptimizationResult(type='optimization', record_id='18436444', cmiles='[H:25][c:3]1[c:4]([c:10]([c:14]([c:12]([c:7]1[H:29])[c:15]2[n:22][c:16]([o:24][n:23]2)/[C:18](=[C:17](\\[H:33])/[c:13]3[c:8]([c:5]([c:11]([c:6]([c:9]3[H:31])[H:28])[C:1]#[N:20])[H:27])[H:30])/[C:2]#[N:21])[C:19]([H:34])([H:35])[H:36])[H:32])[H:26]', inchi_key='GRIOEFJNPLMEJI-MHWRWJLKSA-N'), OptimizationResult(type='optimization', record_id='18436455', cmiles='[H:25][c:3]1[c:4]([c:10]([c:14]([c:12]([c:7]1[H:29])[c:15]2[n:22][c:16]([o:24][n:23]2)/[C:18](=[C:17](\\[H:33])/[c:13]3[c:8]([c:5]([c:11]([c:6]([c:9]3[H:31])[H:28])[C:1]#[N:20])[H:27])[H:30])/[C:2]#[N:21])[C:19]([H:34])([H:35])[H:36])[H:32])[H:26]', inchi_key='GRIOEFJNPLMEJI-MHWRWJLKSA-N'), OptimizationResult(type='optimization', record_id='18436456', cmiles='[H:25][c:3]1[c:4]([c:10]([c:14]([c:12]([c:7]1[H:29])[c:15]2[n:22][c:16]([o:24][n:23]2)/[C:18](=[C:17](\\[H:33])/[c:13]3[c:8]([c:5]([c:11]([c:6]([c:9]3[H:31])[H:28])[C:1]#[N:20])[H:27])[H:30])/[C:2]#[N:21])[C:19]([H:34])([H:35])[H:36])[H:32])[H:26]', inchi_key='GRIOEFJNPLMEJI-MHWRWJLKSA-N'), OptimizationResult(type='optimization', record_id='18436457', cmiles='[H:25][c:3]1[c:4]([c:10]([c:14]([c:12]([c:7]1[H:29])[c:15]2[n:22][c:16]([o:24][n:23]2)/[C:18](=[C:17](\\[H:33])/[c:13]3[c:8]([c:5]([c:11]([c:6]([c:9]3[H:31])[H:28])[C:1]#[N:20])[H:27])[H:30])/[C:2]#[N:21])[C:19]([H:34])([H:35])[H:36])[H:32])[H:26]', inchi_key='GRIOEFJNPLMEJI-MHWRWJLKSA-N'), OptimizationResult(type='optimization', record_id='18436458', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436459', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436460', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436461', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436462', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436463', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436464', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436465', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436466', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436467', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436468', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436469', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436470', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436471', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436492', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436493', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436494', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436495', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436496', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436497', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436498', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436499', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436500', cmiles='[H:17][c:1]1[c:2]([c:6]([n:13][c:9]([c:3]1[H:19])[C:11](=[O:15])[C:12]([H:24])([H:25])[c:8]2[c:4]([c:7]([n:14][c:10]([c:5]2[H:21])[Br:16])[H:23])[H:20])[H:22])[H:18]', inchi_key='RKVGSLYSLROWJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436501', cmiles='[H:23][c:1]1[c:2]([c:7]([c:13]2[c:12]([c:6]1[H:28])[c:9]([c:5]([c:10]([c:15]2/[N:20]=[C:19](/[H:34])\\[c:18]3[c:16]([c:14]4[c:8]([c:3]([c:4]([c:11]([c:17]4[s:22]3)[H:33])[H:26])[H:25])[H:30])[O:21][H:35])[H:32])[H:27])[H:31])[H:29])[H:24]', inchi_key='CPRHXRCMHWXTBD-NDENLUEZSA-N'), OptimizationResult(type='optimization', record_id='18436502', cmiles='[H:23][c:1]1[c:2]([c:7]([c:13]2[c:12]([c:6]1[H:28])[c:9]([c:5]([c:10]([c:15]2/[N:20]=[C:19](/[H:34])\\[c:18]3[c:16]([c:14]4[c:8]([c:3]([c:4]([c:11]([c:17]4[s:22]3)[H:33])[H:26])[H:25])[H:30])[O:21][H:35])[H:32])[H:27])[H:31])[H:29])[H:24]', inchi_key='CPRHXRCMHWXTBD-NDENLUEZSA-N'), OptimizationResult(type='optimization', record_id='18436503', cmiles='[H:23][c:1]1[c:2]([c:7]([c:13]2[c:12]([c:6]1[H:28])[c:9]([c:5]([c:10]([c:15]2/[N:20]=[C:19](/[H:34])\\[c:18]3[c:16]([c:14]4[c:8]([c:3]([c:4]([c:11]([c:17]4[s:22]3)[H:33])[H:26])[H:25])[H:30])[O:21][H:35])[H:32])[H:27])[H:31])[H:29])[H:24]', inchi_key='CPRHXRCMHWXTBD-NDENLUEZSA-N'), OptimizationResult(type='optimization', record_id='18436504', cmiles='[H:23][c:1]1[c:2]([c:7]([c:13]2[c:12]([c:6]1[H:28])[c:9]([c:5]([c:10]([c:15]2/[N:20]=[C:19](/[H:34])\\[c:18]3[c:16]([c:14]4[c:8]([c:3]([c:4]([c:11]([c:17]4[s:22]3)[H:33])[H:26])[H:25])[H:30])[O:21][H:35])[H:32])[H:27])[H:31])[H:29])[H:24]', inchi_key='CPRHXRCMHWXTBD-NDENLUEZSA-N'), OptimizationResult(type='optimization', record_id='18436505', cmiles='[H:16][c:1]1[c:2]([c:4]([c:8]2[c:7]([c:3]1[H:18])[c:9]([c:5]([c:6]([c:10]2[O:15][H:28])[H:21])[H:20])[C@:13]3([C:11]([C:12]([N:14]3[H:27])([H:24])[H:25])([H:22])[H:23])[H:26])[H:19])[H:17]', inchi_key='IBUWXWPIMNTTOC-GFCCVEGCSA-N'), OptimizationResult(type='optimization', record_id='18436506', cmiles='[H:16][c:1]1[c:2]([c:4]([c:8]2[c:7]([c:3]1[H:18])[c:9]([c:5]([c:6]([c:10]2[O:15][H:28])[H:21])[H:20])[C@:13]3([C:11]([C:12]([N:14]3[H:27])([H:24])[H:25])([H:22])[H:23])[H:26])[H:19])[H:17]', inchi_key='IBUWXWPIMNTTOC-GFCCVEGCSA-N'), OptimizationResult(type='optimization', record_id='18436507', cmiles='[H:19][c:1]1[c:3]([c:7]([c:9]([n:12][c:5]1[H:23])[O:18][H:25])[c:11]2[n:15][c:10]([n:16][o:17]2)[c:8]3[c:4]([c:2]([c:6]([n:13][n:14]3)[H:24])[H:20])[H:22])[H:21]', inchi_key='DYAMNVSOIHCJKQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436551', cmiles='[H:19][c:1]1[c:3]([c:7]([c:9]([n:12][c:5]1[H:23])[O:18][H:25])[c:11]2[n:15][c:10]([n:16][o:17]2)[c:8]3[c:4]([c:2]([c:6]([n:13][n:14]3)[H:24])[H:20])[H:22])[H:21]', inchi_key='DYAMNVSOIHCJKQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436552', cmiles='[H:19][c:1]1[c:3]([c:7]([c:9]([n:12][c:5]1[H:23])[O:18][H:25])[c:11]2[n:15][c:10]([n:16][o:17]2)[c:8]3[c:4]([c:2]([c:6]([n:13][n:14]3)[H:24])[H:20])[H:22])[H:21]', inchi_key='DYAMNVSOIHCJKQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436553', cmiles='[H:19][c:1]1[c:3]([c:7]([c:9]([n:12][c:5]1[H:23])[O:18][H:25])[c:11]2[n:15][c:10]([n:16][o:17]2)[c:8]3[c:4]([c:2]([c:6]([n:13][n:14]3)[H:24])[H:20])[H:22])[H:21]', inchi_key='DYAMNVSOIHCJKQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436554', cmiles='[H:19][c:1]1[c:3]([c:7]([c:9]([n:12][c:5]1[H:23])[O:18][H:25])[c:11]2[n:15][c:10]([n:16][o:17]2)[c:8]3[c:4]([c:2]([c:6]([n:13][n:14]3)[H:24])[H:20])[H:22])[H:21]', inchi_key='DYAMNVSOIHCJKQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436555', cmiles='[H:19][c:1]1[c:3]([c:7]([c:9]([n:12][c:5]1[H:23])[O:18][H:25])[c:11]2[n:15][c:10]([n:16][o:17]2)[c:8]3[c:4]([c:2]([c:6]([n:13][n:14]3)[H:24])[H:20])[H:22])[H:21]', inchi_key='DYAMNVSOIHCJKQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436556', cmiles='[H:21][c:1]1[c:4]([c:10]([c:7]([c:11]([c:9]1/[N:14]=[N:13]/[c:8]2[c:2]([c:5]([c:12]([c:6]([c:3]2[H:23])[H:26])[S:20](=[O:15])(=[O:16])[O:18][H:29])[H:25])[H:22])[F:19])[H:27])[O:17][H:28])[H:24]', inchi_key='OPJPWEZOXWQOBK-CCEZHUSRSA-N'), OptimizationResult(type='optimization', record_id='18436599', cmiles='[H:21][c:1]1[c:4]([c:10]([c:7]([c:11]([c:9]1/[N:14]=[N:13]/[c:8]2[c:2]([c:5]([c:12]([c:6]([c:3]2[H:23])[H:26])[S:20](=[O:15])(=[O:16])[O:18][H:29])[H:25])[H:22])[F:19])[H:27])[O:17][H:28])[H:24]', inchi_key='OPJPWEZOXWQOBK-CCEZHUSRSA-N'), OptimizationResult(type='optimization', record_id='18436600', cmiles='[H:21][c:1]1[c:4]([c:10]([c:7]([c:11]([c:9]1/[N:14]=[N:13]/[c:8]2[c:2]([c:5]([c:12]([c:6]([c:3]2[H:23])[H:26])[S:20](=[O:15])(=[O:16])[O:18][H:29])[H:25])[H:22])[F:19])[H:27])[O:17][H:28])[H:24]', inchi_key='OPJPWEZOXWQOBK-CCEZHUSRSA-N'), OptimizationResult(type='optimization', record_id='18436601', cmiles='[H:21][c:1]1[c:4]([c:10]([c:7]([c:11]([c:9]1/[N:14]=[N:13]/[c:8]2[c:2]([c:5]([c:12]([c:6]([c:3]2[H:23])[H:26])[S:20](=[O:15])(=[O:16])[O:18][H:29])[H:25])[H:22])[F:19])[H:27])[O:17][H:28])[H:24]', inchi_key='OPJPWEZOXWQOBK-CCEZHUSRSA-N'), OptimizationResult(type='optimization', record_id='18436640', cmiles='[H:13][c:1]1[c:3]([c:4]([c:2]([c:5]([c:6]1[Br:12])[Cl:11])[H:14])[O:9][H:15])[C:7](=[O:8])[O:10][H:16]', inchi_key='XUKLAPBPFXGIOW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436641', cmiles='[H:13][c:1]1[c:3]([c:4]([c:2]([c:5]([c:6]1[Br:12])[Cl:11])[H:14])[O:9][H:15])[C:7](=[O:8])[O:10][H:16]', inchi_key='XUKLAPBPFXGIOW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436642', cmiles='[H:13][c:1]1[c:3]([c:4]([c:2]([c:5]([c:6]1[Br:12])[Cl:11])[H:14])[O:9][H:15])[C:7](=[O:8])[O:10][H:16]', inchi_key='XUKLAPBPFXGIOW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436643', cmiles='[H:13][c:1]1[c:2]([c:5]([c:6]([c:3]([c:4]1[C@:9]2([C:7]([C:8]([N:10]2[H:21])([H:18])[H:19])([H:16])[H:17])[H:20])[H:15])[O:12][H:23])[O:11][H:22])[H:14]', inchi_key='SVBPIKHBDCLYRI-SSDOTTSWSA-N'), OptimizationResult(type='optimization', record_id='18436658', cmiles='[H:13][c:1]1[c:2]([c:5]([c:6]([c:3]([c:4]1[C@:9]2([C:7]([C:8]([N:10]2[H:21])([H:18])[H:19])([H:16])[H:17])[H:20])[H:15])[O:12][H:23])[O:11][H:22])[H:14]', inchi_key='SVBPIKHBDCLYRI-SSDOTTSWSA-N'), OptimizationResult(type='optimization', record_id='18436659', cmiles='[H:22][c:1]1[c:2]([c:6]([c:8]([c:7]([c:3]1[H:24])[O:21][C:14]([H:30])([H:31])[H:32])[O:20][H:33])[c:12]2[n:17][c:11]([n:18][o:19]2)[c:9]3[c:4]([c:5]([c:10]([n:16][n:15]3)[C:13]([H:27])([H:28])[H:29])[H:26])[H:25])[H:23]', inchi_key='QZFFIZVFDBDSNY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436660', cmiles='[H:22][c:1]1[c:2]([c:6]([c:8]([c:7]([c:3]1[H:24])[O:21][C:14]([H:30])([H:31])[H:32])[O:20][H:33])[c:12]2[n:17][c:11]([n:18][o:19]2)[c:9]3[c:4]([c:5]([c:10]([n:16][n:15]3)[C:13]([H:27])([H:28])[H:29])[H:26])[H:25])[H:23]', inchi_key='QZFFIZVFDBDSNY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436661', cmiles='[H:22][c:1]1[c:2]([c:6]([c:8]([c:7]([c:3]1[H:24])[O:21][C:14]([H:30])([H:31])[H:32])[O:20][H:33])[c:12]2[n:17][c:11]([n:18][o:19]2)[c:9]3[c:4]([c:5]([c:10]([n:16][n:15]3)[C:13]([H:27])([H:28])[H:29])[H:26])[H:25])[H:23]', inchi_key='QZFFIZVFDBDSNY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436662', cmiles='[H:22][c:1]1[c:2]([c:6]([c:8]([c:7]([c:3]1[H:24])[O:21][C:14]([H:30])([H:31])[H:32])[O:20][H:33])[c:12]2[n:17][c:11]([n:18][o:19]2)[c:9]3[c:4]([c:5]([c:10]([n:16][n:15]3)[C:13]([H:27])([H:28])[H:29])[H:26])[H:25])[H:23]', inchi_key='QZFFIZVFDBDSNY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436663', cmiles='[H:22][c:1]1[c:2]([c:6]([c:8]([c:7]([c:3]1[H:24])[O:21][C:14]([H:30])([H:31])[H:32])[O:20][H:33])[c:12]2[n:17][c:11]([n:18][o:19]2)[c:9]3[c:4]([c:5]([c:10]([n:16][n:15]3)[C:13]([H:27])([H:28])[H:29])[H:26])[H:25])[H:23]', inchi_key='QZFFIZVFDBDSNY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436664', cmiles='[H:22][c:1]1[c:2]([c:6]([c:8]([c:7]([c:3]1[H:24])[O:21][C:14]([H:30])([H:31])[H:32])[O:20][H:33])[c:12]2[n:17][c:11]([n:18][o:19]2)[c:9]3[c:4]([c:5]([c:10]([n:16][n:15]3)[C:13]([H:27])([H:28])[H:29])[H:26])[H:25])[H:23]', inchi_key='QZFFIZVFDBDSNY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436665', cmiles='[H:18][c:1]1[c:2]([c:4]([c:10]([c:5]([c:3]1[H:20])[H:22])[N:16]([H:29])[c:11]2[c:9]([c:6]([c:8]([c:7]([n:14]2)[H:24])/[C:12](=[N:15]/[O:17][H:30])/[H:25])[H:23])[C:13]([H:26])([H:27])[H:28])[H:21])[H:19]', inchi_key='PBGMASHRFXWOMR-OQLLNIDSSA-N'), OptimizationResult(type='optimization', record_id='18436666', cmiles='[H:18][c:1]1[c:2]([c:4]([c:10]([c:5]([c:3]1[H:20])[H:22])[N:16]([H:29])[c:11]2[c:9]([c:6]([c:8]([c:7]([n:14]2)[H:24])/[C:12](=[N:15]/[O:17][H:30])/[H:25])[H:23])[C:13]([H:26])([H:27])[H:28])[H:21])[H:19]', inchi_key='PBGMASHRFXWOMR-OQLLNIDSSA-N'), OptimizationResult(type='optimization', record_id='18436667', cmiles='[H:18][c:1]1[c:2]([c:4]([c:10]([c:5]([c:3]1[H:20])[H:22])[N:16]([H:29])[c:11]2[c:9]([c:6]([c:8]([c:7]([n:14]2)[H:24])/[C:12](=[N:15]/[O:17][H:30])/[H:25])[H:23])[C:13]([H:26])([H:27])[H:28])[H:21])[H:19]', inchi_key='PBGMASHRFXWOMR-OQLLNIDSSA-N'), OptimizationResult(type='optimization', record_id='18436668', cmiles='[H:18][c:1]1[c:2]([c:4]([c:10]([c:5]([c:3]1[H:20])[H:22])[N:16]([H:29])[c:11]2[c:9]([c:6]([c:8]([c:7]([n:14]2)[H:24])/[C:12](=[N:15]/[O:17][H:30])/[H:25])[H:23])[C:13]([H:26])([H:27])[H:28])[H:21])[H:19]', inchi_key='PBGMASHRFXWOMR-OQLLNIDSSA-N'), OptimizationResult(type='optimization', record_id='18436669', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436670', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436671', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436672', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436673', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436674', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436675', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436676', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436677', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436678', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436679', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436680', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436681', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436720', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436751', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436752', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436753', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436754', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436755', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436756', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436757', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436758', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436759', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436760', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436761', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436762', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436763', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436764', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436765', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436766', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436767', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436768', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436769', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436770', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436771', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436772', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436773', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436774', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436775', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436776', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436777', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436778', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436779', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436780', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436781', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436782', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436792', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436793', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436794', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436795', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436796', cmiles='[H:23][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:25])[c:7](=[O:20])[n:18]([n:17]2[H:42])[C:16]([H:40])([H:41])[C:8](=[O:21])[N:19]3[C:11]([C@:12]([C@@:13]([C:9]([C:10]3([H:29])[H:30])([H:27])[H:28])([C:15]([H:37])([H:38])[H:39])[O:22][H:43])([H:33])[C:14]([H:34])([H:35])[H:36])([H:31])[H:32])[H:26])[H:24]', inchi_key='SKLMJPZIVHCHMW-ZBEGNZNMSA-N'), OptimizationResult(type='optimization', record_id='18436797', cmiles='[H:10][c:1]1[c:3]([c:4]([n:7][c:2]([n:6]1)[H:11])[Cl:9])[C:5]([H:12])([H:13])[O:8][H:14]', inchi_key='UJIZLQSZQFWIGA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436822', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])/[C:7](=[N:8]\\[O:9][H:16])/[Cl:11])[F:10])[H:15])[H:13]', inchi_key='RYFCDAXBGQWNIC-JXMROGBWSA-N'), OptimizationResult(type='optimization', record_id='18436823', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])/[C:7](=[N:8]\\[O:9][H:16])/[Cl:11])[F:10])[H:15])[H:13]', inchi_key='RYFCDAXBGQWNIC-JXMROGBWSA-N'), OptimizationResult(type='optimization', record_id='18436824', cmiles='[H:16][c:1]1[c:3]([c:7]([c:4]([c:2]([c:6]1[C:11]([H:24])([H:25])[n:13]2[c:9]([c:5]([c:8]([n:12]2)[C:10]([H:21])([H:22])[H:23])[H:20])[N:14]([H:26])[H:27])[H:17])[H:19])[Cl:15])[H:18]', inchi_key='FPZRXCCZKYDEIB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436825', cmiles='[H:16][c:1]1[c:3]([c:7]([c:4]([c:2]([c:6]1[C:11]([H:24])([H:25])[n:13]2[c:9]([c:5]([c:8]([n:12]2)[C:10]([H:21])([H:22])[H:23])[H:20])[N:14]([H:26])[H:27])[H:17])[H:19])[Cl:15])[H:18]', inchi_key='FPZRXCCZKYDEIB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436826', cmiles='[H:16][c:1]1[c:3]([c:7]([c:4]([c:2]([c:6]1[C:11]([H:24])([H:25])[n:13]2[c:9]([c:5]([c:8]([n:12]2)[C:10]([H:21])([H:22])[H:23])[H:20])[N:14]([H:26])[H:27])[H:17])[H:19])[Cl:15])[H:18]', inchi_key='FPZRXCCZKYDEIB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436827', cmiles='[H:16][c:2]1[c:3]([c:7]([c:4]([c:5]([c:6]1[N+:12](=[O:14])[O-:13])[C@:9]([H:21])([C:8]([H:19])([H:20])[C:1]#[N:10])[N:11]([H:22])[H:23])[H:18])[F:15])[H:17]', inchi_key='RZEPURGUSJVXOG-QMMMGPOBSA-N'), OptimizationResult(type='optimization', record_id='18436828', cmiles='[H:16][c:2]1[c:3]([c:7]([c:4]([c:5]([c:6]1[N+:12](=[O:14])[O-:13])[C@:9]([H:21])([C:8]([H:19])([H:20])[C:1]#[N:10])[N:11]([H:22])[H:23])[H:18])[F:15])[H:17]', inchi_key='RZEPURGUSJVXOG-QMMMGPOBSA-N'), OptimizationResult(type='optimization', record_id='18436829', cmiles='[H:16][c:2]1[c:3]([c:7]([c:4]([c:5]([c:6]1[N+:12](=[O:14])[O-:13])[C@:9]([H:21])([C:8]([H:19])([H:20])[C:1]#[N:10])[N:11]([H:22])[H:23])[H:18])[F:15])[H:17]', inchi_key='RZEPURGUSJVXOG-QMMMGPOBSA-N'), OptimizationResult(type='optimization', record_id='18436830', cmiles='[H:16][c:2]1[c:3]([c:7]([c:4]([c:5]([c:6]1[N+:12](=[O:14])[O-:13])[C@:9]([H:21])([C:8]([H:19])([H:20])[C:1]#[N:10])[N:11]([H:22])[H:23])[H:18])[F:15])[H:17]', inchi_key='RZEPURGUSJVXOG-QMMMGPOBSA-N'), OptimizationResult(type='optimization', record_id='18436831', cmiles='[H:16][c:2]1[c:3]([c:7]([c:4]([c:5]([c:6]1[N+:12](=[O:14])[O-:13])[C@:9]([H:21])([C:8]([H:19])([H:20])[C:1]#[N:10])[N:11]([H:22])[H:23])[H:18])[F:15])[H:17]', inchi_key='RZEPURGUSJVXOG-QMMMGPOBSA-N'), OptimizationResult(type='optimization', record_id='18436832', cmiles='[H:23][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:25])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[Cl:21])[H:26])[H:24]', inchi_key='LVMOXJLXIJUWFE-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18436833', cmiles='[H:23][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:25])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[Cl:21])[H:26])[H:24]', inchi_key='LVMOXJLXIJUWFE-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18436834', cmiles='[H:23][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:25])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[Cl:21])[H:26])[H:24]', inchi_key='LVMOXJLXIJUWFE-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18436835', cmiles='[H:23][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:25])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[Cl:21])[H:26])[H:24]', inchi_key='LVMOXJLXIJUWFE-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18436836', cmiles='[H:23][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:25])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[Cl:21])[H:26])[H:24]', inchi_key='LVMOXJLXIJUWFE-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18436837', cmiles='[H:23][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:25])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[Cl:21])[H:26])[H:24]', inchi_key='LVMOXJLXIJUWFE-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18436838', cmiles='[H:23][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:25])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[Cl:21])[H:26])[H:24]', inchi_key='LVMOXJLXIJUWFE-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18436851', cmiles='[H:23][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:25])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[Cl:21])[H:26])[H:24]', inchi_key='LVMOXJLXIJUWFE-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18436852', cmiles='[H:23][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:25])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[Cl:21])[H:26])[H:24]', inchi_key='LVMOXJLXIJUWFE-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18436853', cmiles='[H:23][c:1]1[c:2]([c:4]([c:7]([c:6]([c:3]1[H:25])[n:18]2[c:9]([c:5]([c:8]([n:16]2)[C:15]([H:36])([H:37])[H:38])/[C:10](=[N:17]/[N:19]3[C:11]([C:13]([O:20][C:14]([C:12]3([H:30])[H:31])([H:34])[H:35])([H:32])[H:33])([H:28])[H:29])/[H:27])[Cl:22])[Cl:21])[H:26])[H:24]', inchi_key='LVMOXJLXIJUWFE-VCHYOVAHSA-N'), OptimizationResult(type='optimization', record_id='18436854', cmiles='[H:13][c:1]1[c:2]([c:4]2=[N:10][C:8]([C:7](=[O:11])[N:9]=[c:5]2[c:6]([c:3]1[H:15])[Br:12])([H:16])[H:17])[H:14]', inchi_key='VDMHYBQHKYIROB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436855', cmiles='[H:13][c:1]1[c:2]([c:5]([c:6]([c:3]([c:4]1[C@@:10]([H:25])([C:8]([H:19])([H:20])[H:21])[N:11]([H:26])[H:27])[H:15])[O:12][C:9]([H:22])([H:23])[H:24])[C:7]([H:16])([H:17])[H:18])[H:14]', inchi_key='NABWFJJQFVDVDM-MRVPVSSYSA-N'), OptimizationResult(type='optimization', record_id='18436856', cmiles='[H:13][c:1]1[c:2]([c:5]([c:6]([c:3]([c:4]1[C@@:10]([H:25])([C:8]([H:19])([H:20])[H:21])[N:11]([H:26])[H:27])[H:15])[O:12][C:9]([H:22])([H:23])[H:24])[C:7]([H:16])([H:17])[H:18])[H:14]', inchi_key='NABWFJJQFVDVDM-MRVPVSSYSA-N'), OptimizationResult(type='optimization', record_id='18436857', cmiles='[H:19][c:1]1[c:2]([c:10]([c:8]([c:12]([c:7]1[H:25])[F:18])[H:26])/[N:16]=[N:15]/[c:9]2[c:3]([c:5]([c:11]([c:6]([c:4]2[H:22])[H:24])[N:17]([C:13]([H:27])([H:28])[H:29])[C:14]([H:30])([H:31])[H:32])[H:23])[H:21])[H:20]', inchi_key='QPSNWMWKJWYOMD-WUKNDPDISA-N'), OptimizationResult(type='optimization', record_id='18436858', cmiles='[H:19][c:1]1[c:2]([c:10]([c:8]([c:12]([c:7]1[H:25])[F:18])[H:26])/[N:16]=[N:15]/[c:9]2[c:3]([c:5]([c:11]([c:6]([c:4]2[H:22])[H:24])[N:17]([C:13]([H:27])([H:28])[H:29])[C:14]([H:30])([H:31])[H:32])[H:23])[H:21])[H:20]', inchi_key='QPSNWMWKJWYOMD-WUKNDPDISA-N'), OptimizationResult(type='optimization', record_id='18436859', cmiles='[H:23][c:1]1[c:4]([c:10]2[c:5]([c:2]([c:8]([n:18][c:12]2[c:11]([c:6]1[H:28])[C:15](=[O:22])[N:21]([H:36])/[N:19]=[C:14]/3\\[c:13]4[c:7]([c:3]([c:9]([n:20]4[C:17]([C:16]3([H:32])[H:33])([H:34])[H:35])[H:31])[H:25])[H:29])[H:30])[H:24])[H:27])[H:26]', inchi_key='WCWGLCBRKCABPQ-RGEXLXHISA-N'), OptimizationResult(type='optimization', record_id='18436860', cmiles='[H:23][c:1]1[c:4]([c:10]2[c:5]([c:2]([c:8]([n:18][c:12]2[c:11]([c:6]1[H:28])[C:15](=[O:22])[N:21]([H:36])/[N:19]=[C:14]/3\\[c:13]4[c:7]([c:3]([c:9]([n:20]4[C:17]([C:16]3([H:32])[H:33])([H:34])[H:35])[H:31])[H:25])[H:29])[H:30])[H:24])[H:27])[H:26]', inchi_key='WCWGLCBRKCABPQ-RGEXLXHISA-N'), OptimizationResult(type='optimization', record_id='18436861', cmiles='[H:23][c:1]1[c:4]([c:10]2[c:5]([c:2]([c:8]([n:18][c:12]2[c:11]([c:6]1[H:28])[C:15](=[O:22])[N:21]([H:36])/[N:19]=[C:14]/3\\[c:13]4[c:7]([c:3]([c:9]([n:20]4[C:17]([C:16]3([H:32])[H:33])([H:34])[H:35])[H:31])[H:25])[H:29])[H:30])[H:24])[H:27])[H:26]', inchi_key='WCWGLCBRKCABPQ-RGEXLXHISA-N'), OptimizationResult(type='optimization', record_id='18436862', cmiles='[H:23][c:1]1[c:4]([c:10]2[c:5]([c:2]([c:8]([n:18][c:12]2[c:11]([c:6]1[H:28])[C:15](=[O:22])[N:21]([H:36])/[N:19]=[C:14]/3\\[c:13]4[c:7]([c:3]([c:9]([n:20]4[C:17]([C:16]3([H:32])[H:33])([H:34])[H:35])[H:31])[H:25])[H:29])[H:30])[H:24])[H:27])[H:26]', inchi_key='WCWGLCBRKCABPQ-RGEXLXHISA-N'), OptimizationResult(type='optimization', record_id='18436863', cmiles='[H:25][c:1]1[c:2]([c:4]([c:11]2[c:7]([c:3]1[H:27])[C:13](=[N:16][S:23]2(=[O:19])=[O:20])[N:18]([H:34])/[N:17]=[C:14](\\[H:31])/[c:8]3[c:5]([c:9]4[c:10]([c:6]([c:12]3[Cl:24])[H:30])[O:22][C:15]([O:21]4)([H:32])[H:33])[H:29])[H:28])[H:26]', inchi_key='DOIFOSSUBQGSCQ-REZTVBANSA-N'), OptimizationResult(type='optimization', record_id='18436864', cmiles='[H:25][c:1]1[c:2]([c:4]([c:11]2[c:7]([c:3]1[H:27])[C:13](=[N:16][S:23]2(=[O:19])=[O:20])[N:18]([H:34])/[N:17]=[C:14](\\[H:31])/[c:8]3[c:5]([c:9]4[c:10]([c:6]([c:12]3[Cl:24])[H:30])[O:22][C:15]([O:21]4)([H:32])[H:33])[H:29])[H:28])[H:26]', inchi_key='DOIFOSSUBQGSCQ-REZTVBANSA-N'), OptimizationResult(type='optimization', record_id='18436865', cmiles='[H:25][c:1]1[c:2]([c:4]([c:11]2[c:7]([c:3]1[H:27])[C:13](=[N:16][S:23]2(=[O:19])=[O:20])[N:18]([H:34])/[N:17]=[C:14](\\[H:31])/[c:8]3[c:5]([c:9]4[c:10]([c:6]([c:12]3[Cl:24])[H:30])[O:22][C:15]([O:21]4)([H:32])[H:33])[H:29])[H:28])[H:26]', inchi_key='DOIFOSSUBQGSCQ-REZTVBANSA-N'), OptimizationResult(type='optimization', record_id='18436866', cmiles='[H:25][c:1]1[c:2]([c:4]([c:11]2[c:7]([c:3]1[H:27])[C:13](=[N:16][S:23]2(=[O:19])=[O:20])[N:18]([H:34])/[N:17]=[C:14](\\[H:31])/[c:8]3[c:5]([c:9]4[c:10]([c:6]([c:12]3[Cl:24])[H:30])[O:22][C:15]([O:21]4)([H:32])[H:33])[H:29])[H:28])[H:26]', inchi_key='DOIFOSSUBQGSCQ-REZTVBANSA-N'), OptimizationResult(type='optimization', record_id='18436867', cmiles='[H:25][c:1]1[c:2]([c:4]([c:11]2[c:7]([c:3]1[H:27])[C:13](=[N:16][S:23]2(=[O:19])=[O:20])[N:18]([H:34])/[N:17]=[C:14](\\[H:31])/[c:8]3[c:5]([c:9]4[c:10]([c:6]([c:12]3[Cl:24])[H:30])[O:22][C:15]([O:21]4)([H:32])[H:33])[H:29])[H:28])[H:26]', inchi_key='DOIFOSSUBQGSCQ-REZTVBANSA-N'), OptimizationResult(type='optimization', record_id='18436868', cmiles='[H:25][c:1]1[c:2]([c:4]([c:11]2[c:7]([c:3]1[H:27])[C:13](=[N:16][S:23]2(=[O:19])=[O:20])[N:18]([H:34])/[N:17]=[C:14](\\[H:31])/[c:8]3[c:5]([c:9]4[c:10]([c:6]([c:12]3[Cl:24])[H:30])[O:22][C:15]([O:21]4)([H:32])[H:33])[H:29])[H:28])[H:26]', inchi_key='DOIFOSSUBQGSCQ-REZTVBANSA-N'), OptimizationResult(type='optimization', record_id='18436869', cmiles='[H:25][c:1]1[c:2]([c:4]([c:11]2[c:7]([c:3]1[H:27])[C:13](=[N:16][S:23]2(=[O:19])=[O:20])[N:18]([H:34])/[N:17]=[C:14](\\[H:31])/[c:8]3[c:5]([c:9]4[c:10]([c:6]([c:12]3[Cl:24])[H:30])[O:22][C:15]([O:21]4)([H:32])[H:33])[H:29])[H:28])[H:26]', inchi_key='DOIFOSSUBQGSCQ-REZTVBANSA-N'), OptimizationResult(type='optimization', record_id='18436870', cmiles='[H:25][c:1]1[c:2]([c:4]([c:11]2[c:7]([c:3]1[H:27])[C:13](=[N:16][S:23]2(=[O:19])=[O:20])[N:18]([H:34])/[N:17]=[C:14](\\[H:31])/[c:8]3[c:5]([c:9]4[c:10]([c:6]([c:12]3[Cl:24])[H:30])[O:22][C:15]([O:21]4)([H:32])[H:33])[H:29])[H:28])[H:26]', inchi_key='DOIFOSSUBQGSCQ-REZTVBANSA-N'), OptimizationResult(type='optimization', record_id='18436871', cmiles='[H:25][c:1]1[c:2]([c:4]([c:11]2[c:7]([c:3]1[H:27])[C:13](=[N:16][S:23]2(=[O:19])=[O:20])[N:18]([H:34])/[N:17]=[C:14](\\[H:31])/[c:8]3[c:5]([c:9]4[c:10]([c:6]([c:12]3[Cl:24])[H:30])[O:22][C:15]([O:21]4)([H:32])[H:33])[H:29])[H:28])[H:26]', inchi_key='DOIFOSSUBQGSCQ-REZTVBANSA-N'), OptimizationResult(type='optimization', record_id='18436872', cmiles='[H:25][c:1]1[c:2]([c:4]([c:11]2[c:7]([c:3]1[H:27])[C:13](=[N:16][S:23]2(=[O:19])=[O:20])[N:18]([H:34])/[N:17]=[C:14](\\[H:31])/[c:8]3[c:5]([c:9]4[c:10]([c:6]([c:12]3[Cl:24])[H:30])[O:22][C:15]([O:21]4)([H:32])[H:33])[H:29])[H:28])[H:26]', inchi_key='DOIFOSSUBQGSCQ-REZTVBANSA-N'), OptimizationResult(type='optimization', record_id='18436873', cmiles='[H:25][c:1]1[c:2]([c:4]([c:11]2[c:7]([c:3]1[H:27])[C:13](=[N:16][S:23]2(=[O:19])=[O:20])[N:18]([H:34])/[N:17]=[C:14](\\[H:31])/[c:8]3[c:5]([c:9]4[c:10]([c:6]([c:12]3[Cl:24])[H:30])[O:22][C:15]([O:21]4)([H:32])[H:33])[H:29])[H:28])[H:26]', inchi_key='DOIFOSSUBQGSCQ-REZTVBANSA-N'), OptimizationResult(type='optimization', record_id='18436874', cmiles='[H:25][c:1]1[c:2]([c:4]([c:11]2[c:7]([c:3]1[H:27])[C:13](=[N:16][S:23]2(=[O:19])=[O:20])[N:18]([H:34])/[N:17]=[C:14](\\[H:31])/[c:8]3[c:5]([c:9]4[c:10]([c:6]([c:12]3[Cl:24])[H:30])[O:22][C:15]([O:21]4)([H:32])[H:33])[H:29])[H:28])[H:26]', inchi_key='DOIFOSSUBQGSCQ-REZTVBANSA-N'), OptimizationResult(type='optimization', record_id='18436875', cmiles='[H:25][c:1]1[c:2]([c:4]([c:11]2[c:7]([c:3]1[H:27])[C:13](=[N:16][S:23]2(=[O:19])=[O:20])[N:18]([H:34])/[N:17]=[C:14](\\[H:31])/[c:8]3[c:5]([c:9]4[c:10]([c:6]([c:12]3[Cl:24])[H:30])[O:22][C:15]([O:21]4)([H:32])[H:33])[H:29])[H:28])[H:26]', inchi_key='DOIFOSSUBQGSCQ-REZTVBANSA-N'), OptimizationResult(type='optimization', record_id='18436876', cmiles='[H:12][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:14])[Br:11])[H:15])/[C:7](=[N:8]/[O:10][H:18])/[N:9]([H:16])[H:17])[H:13]', inchi_key='NQFJSTMFTXNUKP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436913', cmiles='[H:12][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:14])[Br:11])[H:15])/[C:7](=[N:8]/[O:10][H:18])/[N:9]([H:16])[H:17])[H:13]', inchi_key='NQFJSTMFTXNUKP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436925', cmiles='[H:12][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:14])[Br:11])[H:15])/[C:7](=[N:8]/[O:10][H:18])/[N:9]([H:16])[H:17])[H:13]', inchi_key='NQFJSTMFTXNUKP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436926', cmiles='[H:12][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:14])[Br:11])[H:15])/[C:7](=[N:8]/[O:10][H:18])/[N:9]([H:16])[H:17])[H:13]', inchi_key='NQFJSTMFTXNUKP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436927', cmiles='[H:15][c:1]1[c:2]([c:8]2[c:5]([c:3]([c:7]1[C:10]([H:19])([H:20])[H:21])[H:17])[c:6]([c:4]([n:12]2[H:22])[H:18])/[C:9](=[N:11]\\[O:14][H:25])/[N:13]([H:23])[H:24])[H:16]', inchi_key='UCJXABGGKWKYDB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436928', cmiles='[H:15][c:1]1[c:2]([c:8]2[c:5]([c:3]([c:7]1[C:10]([H:19])([H:20])[H:21])[H:17])[c:6]([c:4]([n:12]2[H:22])[H:18])/[C:9](=[N:11]\\[O:14][H:25])/[N:13]([H:23])[H:24])[H:16]', inchi_key='UCJXABGGKWKYDB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436929', cmiles='[H:16][c:1]1[c:5]([c:4]2[c:6]([c:3]([n:12]([c:7]2[c:2]([n:11]1)[H:17])[H:22])[H:18])[C:8](=[O:13])[C:10]([H:19])([H:20])[H:21])[C:9](=[O:14])[O:15][H:23]', inchi_key='RORAOHDOEDEVOG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436930', cmiles='[H:16][c:1]1[c:5]([c:4]2[c:6]([c:3]([n:12]([c:7]2[c:2]([n:11]1)[H:17])[H:22])[H:18])[C:8](=[O:13])[C:10]([H:19])([H:20])[H:21])[C:9](=[O:14])[O:15][H:23]', inchi_key='RORAOHDOEDEVOG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436931', cmiles='[H:16][c:1]1[c:5]([c:4]2[c:6]([c:3]([n:12]([c:7]2[c:2]([n:11]1)[H:17])[H:22])[H:18])[C:8](=[O:13])[C:10]([H:19])([H:20])[H:21])[C:9](=[O:14])[O:15][H:23]', inchi_key='RORAOHDOEDEVOG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436932', cmiles='[H:11][C:1]1([C:2]([C:8]2([C:3]([C:6]([O:10][C:7]([C:4]2([H:17])[H:18])([H:23])[H:24])([H:21])[H:22])([H:15])[H:16])[N:9]([C:5]1([H:19])[H:20])[H:25])([H:13])[H:14])[H:12]', inchi_key='FDDQZACIAJOJFY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436933', cmiles='[H:10][c:1]1[c:2]([c:3]([c:4]([s:7]1)[C:5]([H:11])([H:12])[N:6]([H:13])[H:14])[Br:9])[Br:8]', inchi_key='YPAVCOZPUQUNJR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436934', cmiles='[H:10][c:1]1[c:2]([c:3]([c:4]([s:7]1)[C:5]([H:11])([H:12])[N:6]([H:13])[H:14])[Br:9])[Br:8]', inchi_key='YPAVCOZPUQUNJR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436935', cmiles='[H:22][c:1]1[c:2]([c:5]([c:9]2[c:8]([c:4]1[H:25])[c:6]([c:3]([c:7]([c:10]2/[C:14](=[N:19]/[N:20]([H:33])[c:13]3[n:17][c:12]([c:11]([n:16][n:18]3)[C:15]([H:30])([H:31])[H:32])[O:21][H:34])/[H:29])[H:28])[H:24])[H:27])[H:26])[H:23]', inchi_key='DTYIQBVCFUETEK-CXUHLZMHSA-N'), OptimizationResult(type='optimization', record_id='18436936', cmiles='[H:22][c:1]1[c:2]([c:5]([c:9]2[c:8]([c:4]1[H:25])[c:6]([c:3]([c:7]([c:10]2/[C:14](=[N:19]/[N:20]([H:33])[c:13]3[n:17][c:12]([c:11]([n:16][n:18]3)[C:15]([H:30])([H:31])[H:32])[O:21][H:34])/[H:29])[H:28])[H:24])[H:27])[H:26])[H:23]', inchi_key='DTYIQBVCFUETEK-CXUHLZMHSA-N'), OptimizationResult(type='optimization', record_id='18436937', cmiles='[H:22][c:1]1[c:2]([c:5]([c:9]2[c:8]([c:4]1[H:25])[c:6]([c:3]([c:7]([c:10]2/[C:14](=[N:19]/[N:20]([H:33])[c:13]3[n:17][c:12]([c:11]([n:16][n:18]3)[C:15]([H:30])([H:31])[H:32])[O:21][H:34])/[H:29])[H:28])[H:24])[H:27])[H:26])[H:23]', inchi_key='DTYIQBVCFUETEK-CXUHLZMHSA-N'), OptimizationResult(type='optimization', record_id='18436938', cmiles='[H:22][c:1]1[c:2]([c:5]([c:9]2[c:8]([c:4]1[H:25])[c:6]([c:3]([c:7]([c:10]2/[C:14](=[N:19]/[N:20]([H:33])[c:13]3[n:17][c:12]([c:11]([n:16][n:18]3)[C:15]([H:30])([H:31])[H:32])[O:21][H:34])/[H:29])[H:28])[H:24])[H:27])[H:26])[H:23]', inchi_key='DTYIQBVCFUETEK-CXUHLZMHSA-N'), OptimizationResult(type='optimization', record_id='18436939', cmiles='[H:22][c:1]1[c:2]([c:5]([c:9]2[c:8]([c:4]1[H:25])[c:6]([c:3]([c:7]([c:10]2/[C:14](=[N:19]/[N:20]([H:33])[c:13]3[n:17][c:12]([c:11]([n:16][n:18]3)[C:15]([H:30])([H:31])[H:32])[O:21][H:34])/[H:29])[H:28])[H:24])[H:27])[H:26])[H:23]', inchi_key='DTYIQBVCFUETEK-CXUHLZMHSA-N'), OptimizationResult(type='optimization', record_id='18436940', cmiles='[H:22][c:1]1[c:2]([c:5]([c:9]2[c:8]([c:4]1[H:25])[c:6]([c:3]([c:7]([c:10]2/[C:14](=[N:19]/[N:20]([H:33])[c:13]3[n:17][c:12]([c:11]([n:16][n:18]3)[C:15]([H:30])([H:31])[H:32])[O:21][H:34])/[H:29])[H:28])[H:24])[H:27])[H:26])[H:23]', inchi_key='DTYIQBVCFUETEK-CXUHLZMHSA-N'), OptimizationResult(type='optimization', record_id='18436981', cmiles='[H:22][c:1]1[c:2]([c:5]([c:9]2[c:8]([c:4]1[H:25])[c:6]([c:3]([c:7]([c:10]2/[C:14](=[N:19]/[N:20]([H:33])[c:13]3[n:17][c:12]([c:11]([n:16][n:18]3)[C:15]([H:30])([H:31])[H:32])[O:21][H:34])/[H:29])[H:28])[H:24])[H:27])[H:26])[H:23]', inchi_key='DTYIQBVCFUETEK-CXUHLZMHSA-N'), OptimizationResult(type='optimization', record_id='18436982', cmiles='[H:22][c:1]1[c:2]([c:5]([c:9]2[c:8]([c:4]1[H:25])[c:6]([c:3]([c:7]([c:10]2/[C:14](=[N:19]/[N:20]([H:33])[c:13]3[n:17][c:12]([c:11]([n:16][n:18]3)[C:15]([H:30])([H:31])[H:32])[O:21][H:34])/[H:29])[H:28])[H:24])[H:27])[H:26])[H:23]', inchi_key='DTYIQBVCFUETEK-CXUHLZMHSA-N'), OptimizationResult(type='optimization', record_id='18436983', cmiles='[H:22][c:1]1[c:2]([c:5]([c:9]2[c:8]([c:4]1[H:25])[c:6]([c:3]([c:7]([c:10]2/[C:14](=[N:19]/[N:20]([H:33])[c:13]3[n:17][c:12]([c:11]([n:16][n:18]3)[C:15]([H:30])([H:31])[H:32])[O:21][H:34])/[H:29])[H:28])[H:24])[H:27])[H:26])[H:23]', inchi_key='DTYIQBVCFUETEK-CXUHLZMHSA-N'), OptimizationResult(type='optimization', record_id='18436984', cmiles='[H:22][c:1]1[c:2]([c:5]([c:9]2[c:8]([c:4]1[H:25])[c:6]([c:3]([c:7]([c:10]2/[C:14](=[N:19]/[N:20]([H:33])[c:13]3[n:17][c:12]([c:11]([n:16][n:18]3)[C:15]([H:30])([H:31])[H:32])[O:21][H:34])/[H:29])[H:28])[H:24])[H:27])[H:26])[H:23]', inchi_key='DTYIQBVCFUETEK-CXUHLZMHSA-N'), OptimizationResult(type='optimization', record_id='18436985', cmiles='[H:22][c:1]1[c:2]([c:5]([c:9]2[c:8]([c:4]1[H:25])[c:6]([c:3]([c:7]([c:10]2/[C:14](=[N:19]/[N:20]([H:33])[c:13]3[n:17][c:12]([c:11]([n:16][n:18]3)[C:15]([H:30])([H:31])[H:32])[O:21][H:34])/[H:29])[H:28])[H:24])[H:27])[H:26])[H:23]', inchi_key='DTYIQBVCFUETEK-CXUHLZMHSA-N'), OptimizationResult(type='optimization', record_id='18436986', cmiles='[H:22][c:1]1[c:2]([c:5]([c:9]2[c:8]([c:4]1[H:25])[c:6]([c:3]([c:7]([c:10]2/[C:14](=[N:19]/[N:20]([H:33])[c:13]3[n:17][c:12]([c:11]([n:16][n:18]3)[C:15]([H:30])([H:31])[H:32])[O:21][H:34])/[H:29])[H:28])[H:24])[H:27])[H:26])[H:23]', inchi_key='DTYIQBVCFUETEK-CXUHLZMHSA-N'), OptimizationResult(type='optimization', record_id='18436987', cmiles='[H:13][c:1]1[c:2]([c:4]([c:5]([c:6]([c:3]1[H:15])[Cl:12])[O:11][H:22])[C@@:9]2([C:7]([C:8]([N:10]2[H:21])([H:18])[H:19])([H:16])[H:17])[H:20])[H:14]', inchi_key='JNCICMMNTSICJI-QMMMGPOBSA-N'), OptimizationResult(type='optimization', record_id='18436988', cmiles='[H:13][c:1]1[c:2]([c:4]([c:5]([c:6]([c:3]1[H:15])[Cl:12])[O:11][H:22])[C@@:9]2([C:7]([C:8]([N:10]2[H:21])([H:18])[H:19])([H:16])[H:17])[H:20])[H:14]', inchi_key='JNCICMMNTSICJI-QMMMGPOBSA-N'), OptimizationResult(type='optimization', record_id='18436989', cmiles='[H:15][c:1]1[c:2]([c:5]2[c:6]([c:4]([n:12]([c:8]2[c:7]([c:3]1[H:17])[C:10]([H:19])([H:20])[H:21])[H:22])[H:18])/[C:9](=[N:11]/[O:14][H:25])/[N:13]([H:23])[H:24])[H:16]', inchi_key='MIJSLUJEXXBJIR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18436990', cmiles='[H:15][c:1]1[c:2]([c:5]2[c:6]([c:4]([n:12]([c:8]2[c:7]([c:3]1[H:17])[C:10]([H:19])([H:20])[H:21])[H:22])[H:18])/[C:9](=[N:11]/[O:14][H:25])/[N:13]([H:23])[H:24])[H:16]', inchi_key='MIJSLUJEXXBJIR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437022', cmiles='[H:15][c:1]1[c:2]([c:5]2[c:6]([c:4]([n:12]([c:8]2[c:7]([c:3]1[H:17])[C:10]([H:19])([H:20])[H:21])[H:22])[H:18])/[C:9](=[N:11]/[O:14][H:25])/[N:13]([H:23])[H:24])[H:16]', inchi_key='MIJSLUJEXXBJIR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437023', cmiles='[H:20][c:1]1[c:2]([c:4]([c:9]([c:5]([c:3]1[H:22])[H:24])/[C:13](=[C:14](/[H:29])\\[S:17](=[O:15])(=[O:16])[c:10]2[c:6]([c:7]([c:11]([c:12]([c:8]2[H:27])[Cl:19])[Cl:18])[H:26])[H:25])/[H:28])[H:23])[H:21]', inchi_key='DORJFJJMBYRUAP-HJWRWDBZSA-N'), OptimizationResult(type='optimization', record_id='18437024', cmiles='[H:20][c:1]1[c:2]([c:4]([c:9]([c:5]([c:3]1[H:22])[H:24])/[C:13](=[C:14](/[H:29])\\[S:17](=[O:15])(=[O:16])[c:10]2[c:6]([c:7]([c:11]([c:12]([c:8]2[H:27])[Cl:19])[Cl:18])[H:26])[H:25])/[H:28])[H:23])[H:21]', inchi_key='DORJFJJMBYRUAP-HJWRWDBZSA-N'), OptimizationResult(type='optimization', record_id='18437025', cmiles='[H:20][c:1]1[c:2]([c:4]([c:9]([c:5]([c:3]1[H:22])[H:24])/[C:13](=[C:14](/[H:29])\\[S:17](=[O:15])(=[O:16])[c:10]2[c:6]([c:7]([c:11]([c:12]([c:8]2[H:27])[Cl:19])[Cl:18])[H:26])[H:25])/[H:28])[H:23])[H:21]', inchi_key='DORJFJJMBYRUAP-HJWRWDBZSA-N'), OptimizationResult(type='optimization', record_id='18437026', cmiles='[H:20][c:1]1[c:2]([c:4]([c:9]([c:5]([c:3]1[H:22])[H:24])/[C:13](=[C:14](/[H:29])\\[S:17](=[O:15])(=[O:16])[c:10]2[c:6]([c:7]([c:11]([c:12]([c:8]2[H:27])[Cl:19])[Cl:18])[H:26])[H:25])/[H:28])[H:23])[H:21]', inchi_key='DORJFJJMBYRUAP-HJWRWDBZSA-N'), OptimizationResult(type='optimization', record_id='18437027', cmiles='[H:20][c:1]1[c:2]([c:4]([c:9]([c:5]([c:3]1[H:22])[H:24])/[C:13](=[C:14](/[H:29])\\[S:17](=[O:15])(=[O:16])[c:10]2[c:6]([c:7]([c:11]([c:12]([c:8]2[H:27])[Cl:19])[Cl:18])[H:26])[H:25])/[H:28])[H:23])[H:21]', inchi_key='DORJFJJMBYRUAP-HJWRWDBZSA-N'), OptimizationResult(type='optimization', record_id='18437028', cmiles='[H:20][c:1]1[c:2]([c:4]([c:9]([c:5]([c:3]1[H:22])[H:24])/[C:13](=[C:14](/[H:29])\\[S:17](=[O:15])(=[O:16])[c:10]2[c:6]([c:7]([c:11]([c:12]([c:8]2[H:27])[Cl:19])[Cl:18])[H:26])[H:25])/[H:28])[H:23])[H:21]', inchi_key='DORJFJJMBYRUAP-HJWRWDBZSA-N'), OptimizationResult(type='optimization', record_id='18437029', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[F:12])[H:16])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[H:14]', inchi_key='MOSPBYILTXWKJK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437030', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[F:12])[H:16])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[H:14]', inchi_key='MOSPBYILTXWKJK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437031', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[F:12])[H:16])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[H:14]', inchi_key='MOSPBYILTXWKJK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437032', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[F:12])[H:16])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[H:14]', inchi_key='MOSPBYILTXWKJK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437033', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[F:12])[H:16])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[H:14]', inchi_key='MOSPBYILTXWKJK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437034', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[F:12])[H:16])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[H:14]', inchi_key='MOSPBYILTXWKJK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437035', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[F:12])[H:16])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[H:14]', inchi_key='MOSPBYILTXWKJK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437036', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[F:12])[H:16])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[H:14]', inchi_key='MOSPBYILTXWKJK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437037', cmiles='[H:13][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:15])[F:12])[H:16])[C:8]([H:17])([H:18])/[C:7](=[N:9]\\[O:11][H:21])/[N:10]([H:19])[H:20])[H:14]', inchi_key='MOSPBYILTXWKJK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437038', cmiles='[H:13][c:1]1[c:2]([c:5]([c:6]([c:3]([c:4]1/[C:7](=[N:9]\\[O:10][H:19])/[C:8]([H:16])([H:17])[H:18])[H:15])[Cl:12])[Cl:11])[H:14]', inchi_key='LMETXBMWXOYVAN-WZUFQYTHSA-N'), OptimizationResult(type='optimization', record_id='18437039', cmiles='[H:13][c:1]1[c:2]([c:5]([c:6]([c:3]([c:4]1/[C:7](=[N:9]\\[O:10][H:19])/[C:8]([H:16])([H:17])[H:18])[H:15])[Cl:12])[Cl:11])[H:14]', inchi_key='LMETXBMWXOYVAN-WZUFQYTHSA-N'), OptimizationResult(type='optimization', record_id='18437040', cmiles='[H:14][c:1]1[c:3]([c:6]([c:5]([c:2]([c:4]1[Cl:11])[H:15])[Cl:12])[Cl:13])[C@:9]2([C:7]([C:8]([N:10]2[H:21])([H:18])[H:19])([H:16])[H:17])[H:20]', inchi_key='MGLJOZGMHGICQD-MRVPVSSYSA-N'), OptimizationResult(type='optimization', record_id='18437041', cmiles='[H:14][c:1]1[c:3]([c:6]([c:5]([c:2]([c:4]1[Cl:11])[H:15])[Cl:12])[Cl:13])[C@:9]2([C:7]([C:8]([N:10]2[H:21])([H:18])[H:19])([H:16])[H:17])[H:20]', inchi_key='MGLJOZGMHGICQD-MRVPVSSYSA-N'), OptimizationResult(type='optimization', record_id='18437042', cmiles='[H:24][c:1]1[c:2]([c:8]([c:3]([c:5]2[c:6]1[n:18][c:9]([c:4]([c:7]2[O:22][H:43])[H:27])[C:17]([H:41])([H:42])[N:20]3[C:12]([C:16]([C:13]3([H:34])[H:35])([H:40])[N:19]4[C:10]([C:14]([O:21][C:15]([C:11]4([H:30])[H:31])([H:38])[H:39])([H:36])[H:37])([H:28])[H:29])([H:32])[H:33])[H:26])[F:23])[H:25]', inchi_key='ANJWYEGMSWEJCC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437043', cmiles='[H:24][c:1]1[c:2]([c:8]([c:3]([c:5]2[c:6]1[n:18][c:9]([c:4]([c:7]2[O:22][H:43])[H:27])[C:17]([H:41])([H:42])[N:20]3[C:12]([C:16]([C:13]3([H:34])[H:35])([H:40])[N:19]4[C:10]([C:14]([O:21][C:15]([C:11]4([H:30])[H:31])([H:38])[H:39])([H:36])[H:37])([H:28])[H:29])([H:32])[H:33])[H:26])[F:23])[H:25]', inchi_key='ANJWYEGMSWEJCC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437044', cmiles='[H:24][c:1]1[c:2]([c:8]([c:3]([c:5]2[c:6]1[n:18][c:9]([c:4]([c:7]2[O:22][H:43])[H:27])[C:17]([H:41])([H:42])[N:20]3[C:12]([C:16]([C:13]3([H:34])[H:35])([H:40])[N:19]4[C:10]([C:14]([O:21][C:15]([C:11]4([H:30])[H:31])([H:38])[H:39])([H:36])[H:37])([H:28])[H:29])([H:32])[H:33])[H:26])[F:23])[H:25]', inchi_key='ANJWYEGMSWEJCC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437045', cmiles='[H:24][c:1]1[c:2]([c:8]([c:3]([c:5]2[c:6]1[n:18][c:9]([c:4]([c:7]2[O:22][H:43])[H:27])[C:17]([H:41])([H:42])[N:20]3[C:12]([C:16]([C:13]3([H:34])[H:35])([H:40])[N:19]4[C:10]([C:14]([O:21][C:15]([C:11]4([H:30])[H:31])([H:38])[H:39])([H:36])[H:37])([H:28])[H:29])([H:32])[H:33])[H:26])[F:23])[H:25]', inchi_key='ANJWYEGMSWEJCC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437046', cmiles='[H:24][c:1]1[c:2]([c:8]([c:3]([c:5]2[c:6]1[n:18][c:9]([c:4]([c:7]2[O:22][H:43])[H:27])[C:17]([H:41])([H:42])[N:20]3[C:12]([C:16]([C:13]3([H:34])[H:35])([H:40])[N:19]4[C:10]([C:14]([O:21][C:15]([C:11]4([H:30])[H:31])([H:38])[H:39])([H:36])[H:37])([H:28])[H:29])([H:32])[H:33])[H:26])[F:23])[H:25]', inchi_key='ANJWYEGMSWEJCC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437047', cmiles='[H:24][c:1]1[c:2]([c:8]([c:3]([c:5]2[c:6]1[n:18][c:9]([c:4]([c:7]2[O:22][H:43])[H:27])[C:17]([H:41])([H:42])[N:20]3[C:12]([C:16]([C:13]3([H:34])[H:35])([H:40])[N:19]4[C:10]([C:14]([O:21][C:15]([C:11]4([H:30])[H:31])([H:38])[H:39])([H:36])[H:37])([H:28])[H:29])([H:32])[H:33])[H:26])[F:23])[H:25]', inchi_key='ANJWYEGMSWEJCC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437048', cmiles='[H:24][c:1]1[c:2]([c:8]([c:3]([c:5]2[c:6]1[n:18][c:9]([c:4]([c:7]2[O:22][H:43])[H:27])[C:17]([H:41])([H:42])[N:20]3[C:12]([C:16]([C:13]3([H:34])[H:35])([H:40])[N:19]4[C:10]([C:14]([O:21][C:15]([C:11]4([H:30])[H:31])([H:38])[H:39])([H:36])[H:37])([H:28])[H:29])([H:32])[H:33])[H:26])[F:23])[H:25]', inchi_key='ANJWYEGMSWEJCC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437049', cmiles='[H:24][c:1]1[c:2]([c:8]([c:3]([c:5]2[c:6]1[n:18][c:9]([c:4]([c:7]2[O:22][H:43])[H:27])[C:17]([H:41])([H:42])[N:20]3[C:12]([C:16]([C:13]3([H:34])[H:35])([H:40])[N:19]4[C:10]([C:14]([O:21][C:15]([C:11]4([H:30])[H:31])([H:38])[H:39])([H:36])[H:37])([H:28])[H:29])([H:32])[H:33])[H:26])[F:23])[H:25]', inchi_key='ANJWYEGMSWEJCC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437050', cmiles='[H:24][c:1]1[c:2]([c:8]([c:3]([c:5]2[c:6]1[n:18][c:9]([c:4]([c:7]2[O:22][H:43])[H:27])[C:17]([H:41])([H:42])[N:20]3[C:12]([C:16]([C:13]3([H:34])[H:35])([H:40])[N:19]4[C:10]([C:14]([O:21][C:15]([C:11]4([H:30])[H:31])([H:38])[H:39])([H:36])[H:37])([H:28])[H:29])([H:32])[H:33])[H:26])[F:23])[H:25]', inchi_key='ANJWYEGMSWEJCC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437051', cmiles='[H:24][c:1]1[c:2]([c:8]([c:3]([c:5]2[c:6]1[n:18][c:9]([c:4]([c:7]2[O:22][H:43])[H:27])[C:17]([H:41])([H:42])[N:20]3[C:12]([C:16]([C:13]3([H:34])[H:35])([H:40])[N:19]4[C:10]([C:14]([O:21][C:15]([C:11]4([H:30])[H:31])([H:38])[H:39])([H:36])[H:37])([H:28])[H:29])([H:32])[H:33])[H:26])[F:23])[H:25]', inchi_key='ANJWYEGMSWEJCC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437052', cmiles='[H:24][c:1]1[c:2]([c:8]([c:3]([c:5]2[c:6]1[n:18][c:9]([c:4]([c:7]2[O:22][H:43])[H:27])[C:17]([H:41])([H:42])[N:20]3[C:12]([C:16]([C:13]3([H:34])[H:35])([H:40])[N:19]4[C:10]([C:14]([O:21][C:15]([C:11]4([H:30])[H:31])([H:38])[H:39])([H:36])[H:37])([H:28])[H:29])([H:32])[H:33])[H:26])[F:23])[H:25]', inchi_key='ANJWYEGMSWEJCC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437053', cmiles='[H:13][C:1]1([C:3]([N:9]([C:4]([C:2]([C:7]1([H:25])[N:10]2[C:5]([C:8]([C:6]2([H:23])[H:24])([F:11])[F:12])([H:21])[H:22])([H:15])[H:16])([H:19])[H:20])[H:26])([H:17])[H:18])[H:14]', inchi_key='NMSGIIPUOLDNTO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437054', cmiles='[H:14][c:1]1[c:2]([c:5]([c:6]([c:3]([c:4]1[F:11])[C@@:9]2([C:7]([C:8]([N:10]2[H:21])([H:18])[H:19])([H:16])[H:17])[H:20])[F:13])[F:12])[H:15]', inchi_key='UNDSWNGCHFTYSL-ZETCQYMHSA-N'), OptimizationResult(type='optimization', record_id='18437055', cmiles='[H:14][c:1]1[c:2]([c:5]([c:6]([c:3]([c:4]1[F:11])[C@@:9]2([C:7]([C:8]([N:10]2[H:21])([H:18])[H:19])([H:16])[H:17])[H:20])[F:13])[F:12])[H:15]', inchi_key='UNDSWNGCHFTYSL-ZETCQYMHSA-N'), OptimizationResult(type='optimization', record_id='18437056', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437057', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437058', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437059', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437060', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437061', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437062', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437063', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437064', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437065', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437066', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437067', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437068', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437069', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437070', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437071', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437082', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437083', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437084', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437085', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437086', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437087', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437088', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437089', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437090', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437091', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437092', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437093', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437094', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437095', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437096', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437097', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437098', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437099', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437100', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437101', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437126', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437127', cmiles='[H:24][c:1]1[c:3]([c:9]2[c:11]([c:13]([c:5]1[H:28])[F:23])[n:20][c:14]([c:6]([c:12]2[O:22][H:39])[H:29])[C:18]([H:37])([H:38])[N:21]3[C:15]([C:17]([C:16]3([H:34])[H:35])([H:36])[c:10]4[c:4]([c:2]([c:7]([n:19][c:8]4[H:31])[H:30])[H:25])[H:27])([H:32])[H:33])[H:26]', inchi_key='QAOYHRVEVQPVAY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437128', cmiles='[H:10][c:1]1[c:2]([n:8]([c:3]([n:7]1)[H:12])[C:6]2([C:4]([N:9]([C:5]2([H:15])[H:16])[H:18])([H:13])[H:14])[H:17])[H:11]', inchi_key='VEMKUJOKEUNKTH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437129', cmiles='[H:12][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:14])[I:11])[H:15])[C@@:9]2([C:7]([C:8]([N:10]2[H:21])([H:18])[H:19])([H:16])[H:17])[H:20])[H:13]', inchi_key='WMRFCADQXFCHND-VIFPVBQESA-N'), OptimizationResult(type='optimization', record_id='18437130', cmiles='[H:12][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:14])[I:11])[H:15])[C@@:9]2([C:7]([C:8]([N:10]2[H:21])([H:18])[H:19])([H:16])[H:17])[H:20])[H:13]', inchi_key='WMRFCADQXFCHND-VIFPVBQESA-N'), OptimizationResult(type='optimization', record_id='18437131', cmiles='[H:16][C:2]1([C:3]([C:10]1([H:32])[C:12]([H:33])([H:34])[C:1](=[O:14])[N:13]2[C:6]([C:4]([C:11]3([C:5]([C:7]2([H:26])[H:27])([H:22])[H:23])[C:8]([O:15][C:9]3([H:30])[H:31])([H:28])[H:29])([H:20])[H:21])([H:24])[H:25])([H:18])[H:19])[H:17]', inchi_key='BLNCDPALJKNLFX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437132', cmiles='[H:16][C:2]1([C:3]([C:10]1([H:32])[C:12]([H:33])([H:34])[C:1](=[O:14])[N:13]2[C:6]([C:4]([C:11]3([C:5]([C:7]2([H:26])[H:27])([H:22])[H:23])[C:8]([O:15][C:9]3([H:30])[H:31])([H:28])[H:29])([H:20])[H:21])([H:24])[H:25])([H:18])[H:19])[H:17]', inchi_key='BLNCDPALJKNLFX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437133', cmiles='[H:16][C:2]1([C:3]([C:10]1([H:32])[C:12]([H:33])([H:34])[C:1](=[O:14])[N:13]2[C:6]([C:4]([C:11]3([C:5]([C:7]2([H:26])[H:27])([H:22])[H:23])[C:8]([O:15][C:9]3([H:30])[H:31])([H:28])[H:29])([H:20])[H:21])([H:24])[H:25])([H:18])[H:19])[H:17]', inchi_key='BLNCDPALJKNLFX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437134', cmiles='[H:16][C:2]1([C:3]([C:10]1([H:32])[C:12]([H:33])([H:34])[C:1](=[O:14])[N:13]2[C:6]([C:4]([C:11]3([C:5]([C:7]2([H:26])[H:27])([H:22])[H:23])[C:8]([O:15][C:9]3([H:30])[H:31])([H:28])[H:29])([H:20])[H:21])([H:24])[H:25])([H:18])[H:19])[H:17]', inchi_key='BLNCDPALJKNLFX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437135', cmiles='[H:10][C:1]1([C:5]([C:2]([N:7]1[H:20])([H:12])[H:13])([H:18])[N:8]2[C:3]([C:6]([C:4]2([H:16])[H:17])([H:19])[F:9])([H:14])[H:15])[H:11]', inchi_key='GOHCCEMRDKHTIF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437136', cmiles='[H:15][C:2]1([C:3]([C:7]2([C:4]([N:11]([C:5]2([H:21])[H:22])[C:10]([H:31])([H:32])[C:1](=[O:13])[N:12]([C:8]([H:25])([H:26])[H:27])[C:9]([H:28])([H:29])[H:30])([H:19])[H:20])[O:14][C:6]1([H:23])[H:24])([H:17])[H:18])[H:16]', inchi_key='XOEKARAHTORASC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437137', cmiles='[H:15][C:2]1([C:3]([C:7]2([C:4]([N:11]([C:5]2([H:21])[H:22])[C:10]([H:31])([H:32])[C:1](=[O:13])[N:12]([C:8]([H:25])([H:26])[H:27])[C:9]([H:28])([H:29])[H:30])([H:19])[H:20])[O:14][C:6]1([H:23])[H:24])([H:17])[H:18])[H:16]', inchi_key='XOEKARAHTORASC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437138', cmiles='[H:15][C:2]1([C:3]([C:7]2([C:4]([N:11]([C:5]2([H:21])[H:22])[C:10]([H:31])([H:32])[C:1](=[O:13])[N:12]([C:8]([H:25])([H:26])[H:27])[C:9]([H:28])([H:29])[H:30])([H:19])[H:20])[O:14][C:6]1([H:23])[H:24])([H:17])[H:18])[H:16]', inchi_key='XOEKARAHTORASC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437139', cmiles='[H:15][C:2]1([C:3]([C:7]2([C:4]([N:11]([C:5]2([H:21])[H:22])[C:10]([H:31])([H:32])[C:1](=[O:13])[N:12]([C:8]([H:25])([H:26])[H:27])[C:9]([H:28])([H:29])[H:30])([H:19])[H:20])[O:14][C:6]1([H:23])[H:24])([H:17])[H:18])[H:16]', inchi_key='XOEKARAHTORASC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437140', cmiles='[H:15][C:2]1([C:3]([C:7]2([C:4]([N:11]([C:5]2([H:21])[H:22])[C:10]([H:31])([H:32])[C:1](=[O:13])[N:12]([C:8]([H:25])([H:26])[H:27])[C:9]([H:28])([H:29])[H:30])([H:19])[H:20])[O:14][C:6]1([H:23])[H:24])([H:17])[H:18])[H:16]', inchi_key='XOEKARAHTORASC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437141', cmiles='[H:15][C:2]1([C:3]([C:7]2([C:4]([N:11]([C:5]2([H:21])[H:22])[C:10]([H:31])([H:32])[C:1](=[O:13])[N:12]([C:8]([H:25])([H:26])[H:27])[C:9]([H:28])([H:29])[H:30])([H:19])[H:20])[O:14][C:6]1([H:23])[H:24])([H:17])[H:18])[H:16]', inchi_key='XOEKARAHTORASC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437167', cmiles='[H:15][C:2]1([C:3]([C:7]2([C:4]([N:11]([C:5]2([H:21])[H:22])[C:10]([H:31])([H:32])[C:1](=[O:13])[N:12]([C:8]([H:25])([H:26])[H:27])[C:9]([H:28])([H:29])[H:30])([H:19])[H:20])[O:14][C:6]1([H:23])[H:24])([H:17])[H:18])[H:16]', inchi_key='XOEKARAHTORASC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437206', cmiles='[H:15][C:2]1([C:3]([C:7]2([C:4]([N:11]([C:5]2([H:21])[H:22])[C:10]([H:31])([H:32])[C:1](=[O:13])[N:12]([C:8]([H:25])([H:26])[H:27])[C:9]([H:28])([H:29])[H:30])([H:19])[H:20])[O:14][C:6]1([H:23])[H:24])([H:17])[H:18])[H:16]', inchi_key='XOEKARAHTORASC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437207', cmiles='[H:14][c:1]1[c:2]([c:4]([o:12][c:3]1[C@:8]2([C:7]([O:13][C:6]([C:5]([N:11]2[H:28])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])[H:21])[C:10]([H:25])([H:26])[H:27])[C:9]([H:22])([H:23])[H:24]', inchi_key='KDVIAPXOXUGEND-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='18437208', cmiles='[H:14][c:1]1[c:2]([c:4]([o:12][c:3]1[C@:8]2([C:7]([O:13][C:6]([C:5]([N:11]2[H:28])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])[H:21])[C:10]([H:25])([H:26])[H:27])[C:9]([H:22])([H:23])[H:24]', inchi_key='KDVIAPXOXUGEND-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='18437209', cmiles='[H:14][c:1]1[c:2]([c:4]([o:12][c:3]1[C@:8]2([C:7]([O:13][C:6]([C:5]([N:11]2[H:28])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])[H:21])[C:10]([H:25])([H:26])[H:27])[C:9]([H:22])([H:23])[H:24]', inchi_key='KDVIAPXOXUGEND-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='18437210', cmiles='[H:14][c:1]1[c:2]([c:4]([o:12][c:3]1[C@:8]2([C:7]([O:13][C:6]([C:5]([N:11]2[H:28])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])[H:21])[C:10]([H:25])([H:26])[H:27])[C:9]([H:22])([H:23])[H:24]', inchi_key='KDVIAPXOXUGEND-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='18437211', cmiles='[H:16][c:1]1[c:2]([c:4]([s:14][c:3]1[H:18])/[C:7](=[N:10]/[N:13]([H:22])[c:5]2[n:8][n:9][c:6]([n:11]2[N:12]([H:20])[H:21])[S:15][H:23])/[H:19])[H:17]', inchi_key='VXPKITKTEJYPNZ-RUDMXATFSA-N'), OptimizationResult(type='optimization', record_id='18437212', cmiles='[H:16][c:1]1[c:2]([c:4]([s:14][c:3]1[H:18])/[C:7](=[N:10]/[N:13]([H:22])[c:5]2[n:8][n:9][c:6]([n:11]2[N:12]([H:20])[H:21])[S:15][H:23])/[H:19])[H:17]', inchi_key='VXPKITKTEJYPNZ-RUDMXATFSA-N'), OptimizationResult(type='optimization', record_id='18437213', cmiles='[H:16][c:1]1[c:2]([c:4]([s:14][c:3]1[H:18])/[C:7](=[N:10]/[N:13]([H:22])[c:5]2[n:8][n:9][c:6]([n:11]2[N:12]([H:20])[H:21])[S:15][H:23])/[H:19])[H:17]', inchi_key='VXPKITKTEJYPNZ-RUDMXATFSA-N'), OptimizationResult(type='optimization', record_id='18437214', cmiles='[H:16][c:1]1[c:2]([c:4]([s:14][c:3]1[H:18])/[C:7](=[N:10]/[N:13]([H:22])[c:5]2[n:8][n:9][c:6]([n:11]2[N:12]([H:20])[H:21])[S:15][H:23])/[H:19])[H:17]', inchi_key='VXPKITKTEJYPNZ-RUDMXATFSA-N'), OptimizationResult(type='optimization', record_id='18437215', cmiles='[H:16][c:1]1[c:2]([c:4]([s:14][c:3]1[H:18])/[C:7](=[N:10]/[N:13]([H:22])[c:5]2[n:8][n:9][c:6]([n:11]2[N:12]([H:20])[H:21])[S:15][H:23])/[H:19])[H:17]', inchi_key='VXPKITKTEJYPNZ-RUDMXATFSA-N'), OptimizationResult(type='optimization', record_id='18437216', cmiles='[H:16][c:1]1[c:2]([c:4]([s:14][c:3]1[H:18])/[C:7](=[N:10]/[N:13]([H:22])[c:5]2[n:8][n:9][c:6]([n:11]2[N:12]([H:20])[H:21])[S:15][H:23])/[H:19])[H:17]', inchi_key='VXPKITKTEJYPNZ-RUDMXATFSA-N'), OptimizationResult(type='optimization', record_id='18437217', cmiles='[H:16][c:1]1[c:2]([c:4]([s:14][c:3]1[H:18])/[C:7](=[N:10]/[N:13]([H:22])[c:5]2[n:8][n:9][c:6]([n:11]2[N:12]([H:20])[H:21])[S:15][H:23])/[H:19])[H:17]', inchi_key='VXPKITKTEJYPNZ-RUDMXATFSA-N'), OptimizationResult(type='optimization', record_id='18437218', cmiles='[H:16][c:1]1[c:2]([c:4]([s:14][c:3]1[H:18])/[C:7](=[N:10]/[N:13]([H:22])[c:5]2[n:8][n:9][c:6]([n:11]2[N:12]([H:20])[H:21])[S:15][H:23])/[H:19])[H:17]', inchi_key='VXPKITKTEJYPNZ-RUDMXATFSA-N'), OptimizationResult(type='optimization', record_id='18437219', cmiles='[H:16][c:1]1[c:2]([c:4]([s:14][c:3]1[H:18])/[C:7](=[N:10]/[N:13]([H:22])[c:5]2[n:8][n:9][c:6]([n:11]2[N:12]([H:20])[H:21])[S:15][H:23])/[H:19])[H:17]', inchi_key='VXPKITKTEJYPNZ-RUDMXATFSA-N'), OptimizationResult(type='optimization', record_id='18437220', cmiles='[H:16][c:1]1[c:2]([c:4]([s:14][c:3]1[H:18])/[C:7](=[N:10]/[N:13]([H:22])[c:5]2[n:8][n:9][c:6]([n:11]2[N:12]([H:20])[H:21])[S:15][H:23])/[H:19])[H:17]', inchi_key='VXPKITKTEJYPNZ-RUDMXATFSA-N'), OptimizationResult(type='optimization', record_id='18437221', cmiles='[H:16][c:1]1[c:2]([c:4]([s:14][c:3]1[H:18])/[C:7](=[N:10]/[N:13]([H:22])[c:5]2[n:8][n:9][c:6]([n:11]2[N:12]([H:20])[H:21])[S:15][H:23])/[H:19])[H:17]', inchi_key='VXPKITKTEJYPNZ-RUDMXATFSA-N'), OptimizationResult(type='optimization', record_id='18437222', cmiles='[H:16][c:1]1[c:2]([c:4]([s:14][c:3]1[H:18])/[C:7](=[N:10]/[N:13]([H:22])[c:5]2[n:8][n:9][c:6]([n:11]2[N:12]([H:20])[H:21])[S:15][H:23])/[H:19])[H:17]', inchi_key='VXPKITKTEJYPNZ-RUDMXATFSA-N'), OptimizationResult(type='optimization', record_id='18437223', cmiles='[H:16][c:1]1[c:2]([c:4]([s:14][c:3]1[H:18])/[C:7](=[N:10]/[N:13]([H:22])[c:5]2[n:8][n:9][c:6]([n:11]2[N:12]([H:20])[H:21])[S:15][H:23])/[H:19])[H:17]', inchi_key='VXPKITKTEJYPNZ-RUDMXATFSA-N'), OptimizationResult(type='optimization', record_id='18437224', cmiles='[H:13][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[N:8]([H:18])[N:7]([H:16])[H:17])[N+:9](=[O:11])[O-:10])[H:15])[Cl:12])[H:14]', inchi_key='HMLXAWGHSCTGQJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437225', cmiles='[H:11][c:1]1[c:2]([c:4]([n:9]([c:3]1[H:13])[H:20])[C@:8]([H:19])([C:7]2([C:5]([C:6]2([H:16])[H:17])([H:14])[H:15])[H:18])[N:10]([H:21])[H:22])[H:12]', inchi_key='OREYKKYUIVFSPB-QMMMGPOBSA-N'), OptimizationResult(type='optimization', record_id='18437226', cmiles='[H:11][c:1]1[c:2]([c:4]([n:9]([c:3]1[H:13])[H:20])[C@:8]([H:19])([C:7]2([C:5]([C:6]2([H:16])[H:17])([H:14])[H:15])[H:18])[N:10]([H:21])[H:22])[H:12]', inchi_key='OREYKKYUIVFSPB-QMMMGPOBSA-N'), OptimizationResult(type='optimization', record_id='18437227', cmiles='[H:13][c:1]1[c:2]([c:4]([s:11][c:3]1[C:8]([H:23])([H:24])[N:10]([H:26])[C:9]([H:25])([C:6]([H:17])([H:18])[H:19])[C:7]([H:20])([H:21])[H:22])[C:5]([H:14])([H:15])[H:16])[Br:12]', inchi_key='FIIDQDRVAAZYHI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437228', cmiles='[H:13][c:1]1[c:2]([c:4]([s:11][c:3]1[C:8]([H:23])([H:24])[N:10]([H:26])[C:9]([H:25])([C:6]([H:17])([H:18])[H:19])[C:7]([H:20])([H:21])[H:22])[C:5]([H:14])([H:15])[H:16])[Br:12]', inchi_key='FIIDQDRVAAZYHI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437229', cmiles='[H:13][c:1]1[c:2]([c:4]([s:11][c:3]1[C:8]([H:23])([H:24])[N:10]([H:26])[C:9]([H:25])([C:6]([H:17])([H:18])[H:19])[C:7]([H:20])([H:21])[H:22])[C:5]([H:14])([H:15])[H:16])[Br:12]', inchi_key='FIIDQDRVAAZYHI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437230', cmiles='[H:13][c:1]1[c:2]([c:4]([s:11][c:3]1[C:8]([H:23])([H:24])[N:10]([H:26])[C:9]([H:25])([C:6]([H:17])([H:18])[H:19])[C:7]([H:20])([H:21])[H:22])[C:5]([H:14])([H:15])[H:16])[Br:12]', inchi_key='FIIDQDRVAAZYHI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437231', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437232', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437233', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437234', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437235', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437236', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437237', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437238', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437239', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437240', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437241', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437242', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437243', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437244', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437245', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437246', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437247', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437268', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437269', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437270', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437271', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437272', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437273', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437274', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437275', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437276', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437277', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437278', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437279', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437291', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437292', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437293', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437294', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437295', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437296', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437297', cmiles='[H:22][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:24])[H:26])[C:15]([H:39])([H:40])[C:7](=[O:18])[N:17]2[C:10]([C:8]([C@:13]3([C@@:14]([C:9]([C:11]2([H:33])[H:34])([H:29])[H:30])([S:21](=[O:19])(=[O:20])[N:16]([C:12]3([H:35])[H:36])[H:41])[H:38])[H:37])([H:27])[H:28])([H:31])[H:32])[H:25])[H:23]', inchi_key='ZKMJDURMGPNMRX-ZIAGYGMSSA-N'), OptimizationResult(type='optimization', record_id='18437298', cmiles='[H:13][c:1]1[c:3]([c:2]([c:6]([c:4]([c:5]1[O:11][C:8]([H:18])([H:19])[H:20])[C:7]([H:15])([H:16])[H:17])[F:12])[H:14])[C:9]([H:21])([H:22])[N:10]([H:23])[H:24]', inchi_key='UQBKVZYULGGXHJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437339', cmiles='[H:13][c:1]1[c:3]([c:2]([c:6]([c:4]([c:5]1[O:11][C:8]([H:18])([H:19])[H:20])[C:7]([H:15])([H:16])[H:17])[F:12])[H:14])[C:9]([H:21])([H:22])[N:10]([H:23])[H:24]', inchi_key='UQBKVZYULGGXHJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437340', cmiles='[H:13][c:1]1[c:4]([c:2]([n:9][c:3]([c:5]1[Br:12])[H:15])[H:14])[C:6](=[O:11])[N:10]([H:21])[C:8]([H:19])([H:20])[C:7]([H:16])([H:17])[H:18]', inchi_key='LBNZQARQDQMTGO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437341', cmiles='[H:13][c:1]1[c:4]([c:2]([n:9][c:3]([c:5]1[Br:12])[H:15])[H:14])[C:6](=[O:11])[N:10]([H:21])[C:8]([H:19])([H:20])[C:7]([H:16])([H:17])[H:18]', inchi_key='LBNZQARQDQMTGO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437342', cmiles='[H:17][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:15])[Cl:16])[C:5](=[O:10])[N:9]2[C:7]([C:6]([C:8]([S:14]2(=[O:11])=[O:12])([H:22])[H:23])([H:18])[H:19])([H:20])[H:21]', inchi_key='XSKJDLFMMYGXFD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437343', cmiles='[H:17][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:15])[Cl:16])[C:5](=[O:10])[N:9]2[C:7]([C:6]([C:8]([S:14]2(=[O:11])=[O:12])([H:22])[H:23])([H:18])[H:19])([H:20])[H:21]', inchi_key='XSKJDLFMMYGXFD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437344', cmiles='[H:17][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:15])[Cl:16])[C:5](=[O:10])[N:9]2[C:7]([C:6]([C:8]([S:14]2(=[O:11])=[O:12])([H:22])[H:23])([H:18])[H:19])([H:20])[H:21]', inchi_key='XSKJDLFMMYGXFD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437345', cmiles='[H:17][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:15])[Cl:16])[C:5](=[O:10])[N:9]2[C:7]([C:6]([C:8]([S:14]2(=[O:11])=[O:12])([H:22])[H:23])([H:18])[H:19])([H:20])[H:21]', inchi_key='XSKJDLFMMYGXFD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437346', cmiles='[H:23][c:2]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:26])[H:30])/[C:16](=[C:17](/[C:1]#[N:19])\\[c:15]2[n:20][c:14]([n:21][o:22]2)[c:11]3[c:7]([c:3]([c:6]([c:10]([c:13]3[C:18]([H:33])([H:34])[H:35])[H:31])[H:27])[H:24])[H:28])/[H:32])[H:29])[H:25]', inchi_key='OCRARNMDEABFSL-PTNGSMBKSA-N'), OptimizationResult(type='optimization', record_id='18437347', cmiles='[H:23][c:2]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:26])[H:30])/[C:16](=[C:17](/[C:1]#[N:19])\\[c:15]2[n:20][c:14]([n:21][o:22]2)[c:11]3[c:7]([c:3]([c:6]([c:10]([c:13]3[C:18]([H:33])([H:34])[H:35])[H:31])[H:27])[H:24])[H:28])/[H:32])[H:29])[H:25]', inchi_key='OCRARNMDEABFSL-PTNGSMBKSA-N'), OptimizationResult(type='optimization', record_id='18437348', cmiles='[H:23][c:2]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:26])[H:30])/[C:16](=[C:17](/[C:1]#[N:19])\\[c:15]2[n:20][c:14]([n:21][o:22]2)[c:11]3[c:7]([c:3]([c:6]([c:10]([c:13]3[C:18]([H:33])([H:34])[H:35])[H:31])[H:27])[H:24])[H:28])/[H:32])[H:29])[H:25]', inchi_key='OCRARNMDEABFSL-PTNGSMBKSA-N'), OptimizationResult(type='optimization', record_id='18437349', cmiles='[H:23][c:2]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:26])[H:30])/[C:16](=[C:17](/[C:1]#[N:19])\\[c:15]2[n:20][c:14]([n:21][o:22]2)[c:11]3[c:7]([c:3]([c:6]([c:10]([c:13]3[C:18]([H:33])([H:34])[H:35])[H:31])[H:27])[H:24])[H:28])/[H:32])[H:29])[H:25]', inchi_key='OCRARNMDEABFSL-PTNGSMBKSA-N'), OptimizationResult(type='optimization', record_id='18437350', cmiles='[H:23][c:2]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:26])[H:30])/[C:16](=[C:17](/[C:1]#[N:19])\\[c:15]2[n:20][c:14]([n:21][o:22]2)[c:11]3[c:7]([c:3]([c:6]([c:10]([c:13]3[C:18]([H:33])([H:34])[H:35])[H:31])[H:27])[H:24])[H:28])/[H:32])[H:29])[H:25]', inchi_key='OCRARNMDEABFSL-PTNGSMBKSA-N'), OptimizationResult(type='optimization', record_id='18437351', cmiles='[H:23][c:2]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:26])[H:30])/[C:16](=[C:17](/[C:1]#[N:19])\\[c:15]2[n:20][c:14]([n:21][o:22]2)[c:11]3[c:7]([c:3]([c:6]([c:10]([c:13]3[C:18]([H:33])([H:34])[H:35])[H:31])[H:27])[H:24])[H:28])/[H:32])[H:29])[H:25]', inchi_key='OCRARNMDEABFSL-PTNGSMBKSA-N'), OptimizationResult(type='optimization', record_id='18437364', cmiles='[H:23][c:2]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:26])[H:30])/[C:16](=[C:17](/[C:1]#[N:19])\\[c:15]2[n:20][c:14]([n:21][o:22]2)[c:11]3[c:7]([c:3]([c:6]([c:10]([c:13]3[C:18]([H:33])([H:34])[H:35])[H:31])[H:27])[H:24])[H:28])/[H:32])[H:29])[H:25]', inchi_key='OCRARNMDEABFSL-PTNGSMBKSA-N'), OptimizationResult(type='optimization', record_id='18437374', cmiles='[H:23][c:2]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:26])[H:30])/[C:16](=[C:17](/[C:1]#[N:19])\\[c:15]2[n:20][c:14]([n:21][o:22]2)[c:11]3[c:7]([c:3]([c:6]([c:10]([c:13]3[C:18]([H:33])([H:34])[H:35])[H:31])[H:27])[H:24])[H:28])/[H:32])[H:29])[H:25]', inchi_key='OCRARNMDEABFSL-PTNGSMBKSA-N'), OptimizationResult(type='optimization', record_id='18437375', cmiles='[H:23][c:2]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:26])[H:30])/[C:16](=[C:17](/[C:1]#[N:19])\\[c:15]2[n:20][c:14]([n:21][o:22]2)[c:11]3[c:7]([c:3]([c:6]([c:10]([c:13]3[C:18]([H:33])([H:34])[H:35])[H:31])[H:27])[H:24])[H:28])/[H:32])[H:29])[H:25]', inchi_key='OCRARNMDEABFSL-PTNGSMBKSA-N'), OptimizationResult(type='optimization', record_id='18437376', cmiles='[H:23][c:2]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:26])[H:30])/[C:16](=[C:17](/[C:1]#[N:19])\\[c:15]2[n:20][c:14]([n:21][o:22]2)[c:11]3[c:7]([c:3]([c:6]([c:10]([c:13]3[C:18]([H:33])([H:34])[H:35])[H:31])[H:27])[H:24])[H:28])/[H:32])[H:29])[H:25]', inchi_key='OCRARNMDEABFSL-PTNGSMBKSA-N'), OptimizationResult(type='optimization', record_id='18437377', cmiles='[H:23][c:2]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:26])[H:30])/[C:16](=[C:17](/[C:1]#[N:19])\\[c:15]2[n:20][c:14]([n:21][o:22]2)[c:11]3[c:7]([c:3]([c:6]([c:10]([c:13]3[C:18]([H:33])([H:34])[H:35])[H:31])[H:27])[H:24])[H:28])/[H:32])[H:29])[H:25]', inchi_key='OCRARNMDEABFSL-PTNGSMBKSA-N'), OptimizationResult(type='optimization', record_id='18437378', cmiles='[H:23][c:2]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:26])[H:30])/[C:16](=[C:17](/[C:1]#[N:19])\\[c:15]2[n:20][c:14]([n:21][o:22]2)[c:11]3[c:7]([c:3]([c:6]([c:10]([c:13]3[C:18]([H:33])([H:34])[H:35])[H:31])[H:27])[H:24])[H:28])/[H:32])[H:29])[H:25]', inchi_key='OCRARNMDEABFSL-PTNGSMBKSA-N'), OptimizationResult(type='optimization', record_id='18437379', cmiles='[H:23][c:2]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:26])[H:30])/[C:16](=[C:17](/[C:1]#[N:19])\\[c:15]2[n:20][c:14]([n:21][o:22]2)[c:11]3[c:7]([c:3]([c:6]([c:10]([c:13]3[C:18]([H:33])([H:34])[H:35])[H:31])[H:27])[H:24])[H:28])/[H:32])[H:29])[H:25]', inchi_key='OCRARNMDEABFSL-PTNGSMBKSA-N'), OptimizationResult(type='optimization', record_id='18437380', cmiles='[H:23][c:2]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:26])[H:30])/[C:16](=[C:17](/[C:1]#[N:19])\\[c:15]2[n:20][c:14]([n:21][o:22]2)[c:11]3[c:7]([c:3]([c:6]([c:10]([c:13]3[C:18]([H:33])([H:34])[H:35])[H:31])[H:27])[H:24])[H:28])/[H:32])[H:29])[H:25]', inchi_key='OCRARNMDEABFSL-PTNGSMBKSA-N'), OptimizationResult(type='optimization', record_id='18437381', cmiles='[H:23][c:2]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:26])[H:30])/[C:16](=[C:17](/[C:1]#[N:19])\\[c:15]2[n:20][c:14]([n:21][o:22]2)[c:11]3[c:7]([c:3]([c:6]([c:10]([c:13]3[C:18]([H:33])([H:34])[H:35])[H:31])[H:27])[H:24])[H:28])/[H:32])[H:29])[H:25]', inchi_key='OCRARNMDEABFSL-PTNGSMBKSA-N'), OptimizationResult(type='optimization', record_id='18437382', cmiles='[H:11][c:1]1[c:2]([c:4]([n:8]([c:3]1[H:13])[C:5]([H:14])([H:15])[H:16])[C@:7]([H:19])([C:6]([H:17])([H:18])[F:10])[N:9]([H:20])[H:21])[H:12]', inchi_key='ZSPSWWKSAGYFJC-LURJTMIESA-N'), OptimizationResult(type='optimization', record_id='18437383', cmiles='[H:11][c:1]1[c:2]([c:4]([n:8]([c:3]1[H:13])[C:5]([H:14])([H:15])[H:16])[C@:7]([H:19])([C:6]([H:17])([H:18])[F:10])[N:9]([H:20])[H:21])[H:12]', inchi_key='ZSPSWWKSAGYFJC-LURJTMIESA-N'), OptimizationResult(type='optimization', record_id='18437384', cmiles='[H:22][c:1]1[c:2]([c:4]([c:12]2[c:11]([c:3]1[H:24])[c:5]([c:8]([c:15]([c:13]2/[C:17](=[N:19]/[c:14]3[c:6]([c:9]([c:16]([c:10]([c:7]3[H:28])[H:31])[Cl:21])[H:30])[H:27])/[H:32])[O:20][C:18]([H:33])([H:34])[H:35])[H:29])[H:26])[H:25])[H:23]', inchi_key='UIVJWYFCMFKTFX-UDWIEESQSA-N'), OptimizationResult(type='optimization', record_id='18437385', cmiles='[H:15][c:2]1[c:3]([c:6]([c:4]([c:7]([c:5]1[C:1]#[N:9])[N+:10](=[O:13])[O-:11])[H:17])[C:8](=[O:12])[O:14][H:18])[H:16]', inchi_key='JVPRJKPSKHSUDO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437386', cmiles='[H:15][c:2]1[c:3]([c:6]([c:4]([c:7]([c:5]1[C:1]#[N:9])[N+:10](=[O:13])[O-:11])[H:17])[C:8](=[O:12])[O:14][H:18])[H:16]', inchi_key='JVPRJKPSKHSUDO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437387', cmiles='[H:15][c:2]1[c:3]([c:6]([c:4]([c:7]([c:5]1[C:1]#[N:9])[N+:10](=[O:13])[O-:11])[H:17])[C:8](=[O:12])[O:14][H:18])[H:16]', inchi_key='JVPRJKPSKHSUDO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437388', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:9]([c:4]1[H:24])[n:17][c:12]([s:21]2)[N:20]([H:34])/[N:18]=[C:13](/[H:27])\\[c:8]3[c:6]([c:7]([n:19]([c:11]3[C:14]([H:28])([H:29])[H:30])[C:15]([H:31])([H:32])[H:33])[C:1]#[N:16])[H:26])[H:25])[H:23]', inchi_key='NQBRBZWVNATWOT-MFOYZWKCSA-N'), OptimizationResult(type='optimization', record_id='18437389', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:9]([c:4]1[H:24])[n:17][c:12]([s:21]2)[N:20]([H:34])/[N:18]=[C:13](/[H:27])\\[c:8]3[c:6]([c:7]([n:19]([c:11]3[C:14]([H:28])([H:29])[H:30])[C:15]([H:31])([H:32])[H:33])[C:1]#[N:16])[H:26])[H:25])[H:23]', inchi_key='NQBRBZWVNATWOT-MFOYZWKCSA-N'), OptimizationResult(type='optimization', record_id='18437390', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:9]([c:4]1[H:24])[n:17][c:12]([s:21]2)[N:20]([H:34])/[N:18]=[C:13](/[H:27])\\[c:8]3[c:6]([c:7]([n:19]([c:11]3[C:14]([H:28])([H:29])[H:30])[C:15]([H:31])([H:32])[H:33])[C:1]#[N:16])[H:26])[H:25])[H:23]', inchi_key='NQBRBZWVNATWOT-MFOYZWKCSA-N'), OptimizationResult(type='optimization', record_id='18437391', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:9]([c:4]1[H:24])[n:17][c:12]([s:21]2)[N:20]([H:34])/[N:18]=[C:13](/[H:27])\\[c:8]3[c:6]([c:7]([n:19]([c:11]3[C:14]([H:28])([H:29])[H:30])[C:15]([H:31])([H:32])[H:33])[C:1]#[N:16])[H:26])[H:25])[H:23]', inchi_key='NQBRBZWVNATWOT-MFOYZWKCSA-N'), OptimizationResult(type='optimization', record_id='18437392', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:9]([c:4]1[H:24])[n:17][c:12]([s:21]2)[N:20]([H:34])/[N:18]=[C:13](/[H:27])\\[c:8]3[c:6]([c:7]([n:19]([c:11]3[C:14]([H:28])([H:29])[H:30])[C:15]([H:31])([H:32])[H:33])[C:1]#[N:16])[H:26])[H:25])[H:23]', inchi_key='NQBRBZWVNATWOT-MFOYZWKCSA-N'), OptimizationResult(type='optimization', record_id='18437393', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:9]([c:4]1[H:24])[n:17][c:12]([s:21]2)[N:20]([H:34])/[N:18]=[C:13](/[H:27])\\[c:8]3[c:6]([c:7]([n:19]([c:11]3[C:14]([H:28])([H:29])[H:30])[C:15]([H:31])([H:32])[H:33])[C:1]#[N:16])[H:26])[H:25])[H:23]', inchi_key='NQBRBZWVNATWOT-MFOYZWKCSA-N'), OptimizationResult(type='optimization', record_id='18437394', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:9]([c:4]1[H:24])[n:17][c:12]([s:21]2)[N:20]([H:34])/[N:18]=[C:13](/[H:27])\\[c:8]3[c:6]([c:7]([n:19]([c:11]3[C:14]([H:28])([H:29])[H:30])[C:15]([H:31])([H:32])[H:33])[C:1]#[N:16])[H:26])[H:25])[H:23]', inchi_key='NQBRBZWVNATWOT-MFOYZWKCSA-N'), OptimizationResult(type='optimization', record_id='18437395', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:9]([c:4]1[H:24])[n:17][c:12]([s:21]2)[N:20]([H:34])/[N:18]=[C:13](/[H:27])\\[c:8]3[c:6]([c:7]([n:19]([c:11]3[C:14]([H:28])([H:29])[H:30])[C:15]([H:31])([H:32])[H:33])[C:1]#[N:16])[H:26])[H:25])[H:23]', inchi_key='NQBRBZWVNATWOT-MFOYZWKCSA-N'), OptimizationResult(type='optimization', record_id='18437396', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:9]([c:4]1[H:24])[n:17][c:12]([s:21]2)[N:20]([H:34])/[N:18]=[C:13](/[H:27])\\[c:8]3[c:6]([c:7]([n:19]([c:11]3[C:14]([H:28])([H:29])[H:30])[C:15]([H:31])([H:32])[H:33])[C:1]#[N:16])[H:26])[H:25])[H:23]', inchi_key='NQBRBZWVNATWOT-MFOYZWKCSA-N'), OptimizationResult(type='optimization', record_id='18437397', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:9]([c:4]1[H:24])[n:17][c:12]([s:21]2)[N:20]([H:34])/[N:18]=[C:13](/[H:27])\\[c:8]3[c:6]([c:7]([n:19]([c:11]3[C:14]([H:28])([H:29])[H:30])[C:15]([H:31])([H:32])[H:33])[C:1]#[N:16])[H:26])[H:25])[H:23]', inchi_key='NQBRBZWVNATWOT-MFOYZWKCSA-N'), OptimizationResult(type='optimization', record_id='18437398', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:9]([c:4]1[H:24])[n:17][c:12]([s:21]2)[N:20]([H:34])/[N:18]=[C:13](/[H:27])\\[c:8]3[c:6]([c:7]([n:19]([c:11]3[C:14]([H:28])([H:29])[H:30])[C:15]([H:31])([H:32])[H:33])[C:1]#[N:16])[H:26])[H:25])[H:23]', inchi_key='NQBRBZWVNATWOT-MFOYZWKCSA-N'), OptimizationResult(type='optimization', record_id='18437399', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:9]([c:4]1[H:24])[n:17][c:12]([s:21]2)[N:20]([H:34])/[N:18]=[C:13](/[H:27])\\[c:8]3[c:6]([c:7]([n:19]([c:11]3[C:14]([H:28])([H:29])[H:30])[C:15]([H:31])([H:32])[H:33])[C:1]#[N:16])[H:26])[H:25])[H:23]', inchi_key='NQBRBZWVNATWOT-MFOYZWKCSA-N'), OptimizationResult(type='optimization', record_id='18437400', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:9]([c:4]1[H:24])[n:17][c:12]([s:21]2)[N:20]([H:34])/[N:18]=[C:13](/[H:27])\\[c:8]3[c:6]([c:7]([n:19]([c:11]3[C:14]([H:28])([H:29])[H:30])[C:15]([H:31])([H:32])[H:33])[C:1]#[N:16])[H:26])[H:25])[H:23]', inchi_key='NQBRBZWVNATWOT-MFOYZWKCSA-N'), OptimizationResult(type='optimization', record_id='18437401', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:9]([c:4]1[H:24])[n:17][c:12]([s:21]2)[N:20]([H:34])/[N:18]=[C:13](/[H:27])\\[c:8]3[c:6]([c:7]([n:19]([c:11]3[C:14]([H:28])([H:29])[H:30])[C:15]([H:31])([H:32])[H:33])[C:1]#[N:16])[H:26])[H:25])[H:23]', inchi_key='NQBRBZWVNATWOT-MFOYZWKCSA-N'), OptimizationResult(type='optimization', record_id='18437402', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:9]([c:4]1[H:24])[n:17][c:12]([s:21]2)[N:20]([H:34])/[N:18]=[C:13](/[H:27])\\[c:8]3[c:6]([c:7]([n:19]([c:11]3[C:14]([H:28])([H:29])[H:30])[C:15]([H:31])([H:32])[H:33])[C:1]#[N:16])[H:26])[H:25])[H:23]', inchi_key='NQBRBZWVNATWOT-MFOYZWKCSA-N'), OptimizationResult(type='optimization', record_id='18437403', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:9]([c:4]1[H:24])[n:17][c:12]([s:21]2)[N:20]([H:34])/[N:18]=[C:13](/[H:27])\\[c:8]3[c:6]([c:7]([n:19]([c:11]3[C:14]([H:28])([H:29])[H:30])[C:15]([H:31])([H:32])[H:33])[C:1]#[N:16])[H:26])[H:25])[H:23]', inchi_key='NQBRBZWVNATWOT-MFOYZWKCSA-N'), OptimizationResult(type='optimization', record_id='18437404', cmiles='[H:21][c:2]1[c:3]([c:9]([c:13]2[c:12]([c:8]1[H:27])[N:18]([C:15]([C:16]([O:20]2)([H:31])[H:32])([H:29])[H:30])[C:14](=[O:19])[c:11]3[c:6]([c:4]([c:10]([c:5]([c:7]3[H:26])[H:24])[C:1]#[N:17])[H:23])[H:25])[H:28])[H:22]', inchi_key='HORZLDWKLOQCDI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437405', cmiles='[H:21][c:2]1[c:3]([c:9]([c:13]2[c:12]([c:8]1[H:27])[N:18]([C:15]([C:16]([O:20]2)([H:31])[H:32])([H:29])[H:30])[C:14](=[O:19])[c:11]3[c:6]([c:4]([c:10]([c:5]([c:7]3[H:26])[H:24])[C:1]#[N:17])[H:23])[H:25])[H:28])[H:22]', inchi_key='HORZLDWKLOQCDI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437406', cmiles='[H:21][c:2]1[c:3]([c:9]([c:13]2[c:12]([c:8]1[H:27])[N:18]([C:15]([C:16]([O:20]2)([H:31])[H:32])([H:29])[H:30])[C:14](=[O:19])[c:11]3[c:6]([c:4]([c:10]([c:5]([c:7]3[H:26])[H:24])[C:1]#[N:17])[H:23])[H:25])[H:28])[H:22]', inchi_key='HORZLDWKLOQCDI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437407', cmiles='[H:21][c:2]1[c:3]([c:9]([c:13]2[c:12]([c:8]1[H:27])[N:18]([C:15]([C:16]([O:20]2)([H:31])[H:32])([H:29])[H:30])[C:14](=[O:19])[c:11]3[c:6]([c:4]([c:10]([c:5]([c:7]3[H:26])[H:24])[C:1]#[N:17])[H:23])[H:25])[H:28])[H:22]', inchi_key='HORZLDWKLOQCDI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437408', cmiles='[H:12][c:2]1[c:3]([n:9][c:4]([c:5]([c:6]1[C:7](=[O:10])[O:11][H:15])[C:1]#[N:8])[H:14])[H:13]', inchi_key='QFWSFAGTEUOLMZ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437409', cmiles='[H:12][c:2]1[c:3]([n:9][c:4]([c:5]([c:6]1[C:7](=[O:10])[O:11][H:15])[C:1]#[N:8])[H:14])[H:13]', inchi_key='QFWSFAGTEUOLMZ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437410', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437411', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437412', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437413', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437414', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437415', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437416', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437417', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437418', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437419', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437420', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437421', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437422', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437423', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437424', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437425', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437426', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437427', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437428', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437429', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437430', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437431', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437432', cmiles='[H:26][c:2]1[c:4]([c:3]([c:6]([n:22][c:5]1[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21])[C:18]([H:44])([H:45])[H:46]', inchi_key='AZCBORMIUYCKQV-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18437457', cmiles='[H:17][c:2]1[c:3]([c:5]([c:8]([c:6]([c:4]1[H:19])[H:21])/[N:13]=[N:14]/[c:10]2[n:12][c:9]([c:7]([n:15]2[H:22])[C:1]#[N:11])[O:16][H:23])[H:20])[H:18]', inchi_key='QJEMLMZIGQTOAG-CCEZHUSRSA-N'), OptimizationResult(type='optimization', record_id='18437458', cmiles='[H:17][c:2]1[c:3]([c:5]([c:8]([c:6]([c:4]1[H:19])[H:21])/[N:13]=[N:14]/[c:10]2[n:12][c:9]([c:7]([n:15]2[H:22])[C:1]#[N:11])[O:16][H:23])[H:20])[H:18]', inchi_key='QJEMLMZIGQTOAG-CCEZHUSRSA-N'), OptimizationResult(type='optimization', record_id='18437459', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[N:21]([H:37])/[N:19]=[C:10](/[C:1]#[N:16])\\[c:8]2[n:17][n:18][c:9]3[n:20]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:24])[H:26])[I:22])[H:25]', inchi_key='VKHSVOJFWYPDRF-UYRXBGFRSA-N'), OptimizationResult(type='optimization', record_id='18437460', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[N:21]([H:37])/[N:19]=[C:10](/[C:1]#[N:16])\\[c:8]2[n:17][n:18][c:9]3[n:20]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:24])[H:26])[I:22])[H:25]', inchi_key='VKHSVOJFWYPDRF-UYRXBGFRSA-N'), OptimizationResult(type='optimization', record_id='18437461', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[N:21]([H:37])/[N:19]=[C:10](/[C:1]#[N:16])\\[c:8]2[n:17][n:18][c:9]3[n:20]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:24])[H:26])[I:22])[H:25]', inchi_key='VKHSVOJFWYPDRF-UYRXBGFRSA-N'), OptimizationResult(type='optimization', record_id='18437462', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[N:21]([H:37])/[N:19]=[C:10](/[C:1]#[N:16])\\[c:8]2[n:17][n:18][c:9]3[n:20]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:24])[H:26])[I:22])[H:25]', inchi_key='VKHSVOJFWYPDRF-UYRXBGFRSA-N'), OptimizationResult(type='optimization', record_id='18437463', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[N:21]([H:37])/[N:19]=[C:10](/[C:1]#[N:16])\\[c:8]2[n:17][n:18][c:9]3[n:20]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:24])[H:26])[I:22])[H:25]', inchi_key='VKHSVOJFWYPDRF-UYRXBGFRSA-N'), OptimizationResult(type='optimization', record_id='18437464', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[N:21]([H:37])/[N:19]=[C:10](/[C:1]#[N:16])\\[c:8]2[n:17][n:18][c:9]3[n:20]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:24])[H:26])[I:22])[H:25]', inchi_key='VKHSVOJFWYPDRF-UYRXBGFRSA-N'), OptimizationResult(type='optimization', record_id='18437465', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[N:21]([H:37])/[N:19]=[C:10](/[C:1]#[N:16])\\[c:8]2[n:17][n:18][c:9]3[n:20]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:24])[H:26])[I:22])[H:25]', inchi_key='VKHSVOJFWYPDRF-UYRXBGFRSA-N'), OptimizationResult(type='optimization', record_id='18437466', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[N:21]([H:37])/[N:19]=[C:10](/[C:1]#[N:16])\\[c:8]2[n:17][n:18][c:9]3[n:20]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:24])[H:26])[I:22])[H:25]', inchi_key='VKHSVOJFWYPDRF-UYRXBGFRSA-N'), OptimizationResult(type='optimization', record_id='18437467', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[N:21]([H:37])/[N:19]=[C:10](/[C:1]#[N:16])\\[c:8]2[n:17][n:18][c:9]3[n:20]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:24])[H:26])[I:22])[H:25]', inchi_key='VKHSVOJFWYPDRF-UYRXBGFRSA-N'), OptimizationResult(type='optimization', record_id='18437468', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[N:21]([H:37])/[N:19]=[C:10](/[C:1]#[N:16])\\[c:8]2[n:17][n:18][c:9]3[n:20]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:24])[H:26])[I:22])[H:25]', inchi_key='VKHSVOJFWYPDRF-UYRXBGFRSA-N'), OptimizationResult(type='optimization', record_id='18437469', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[N:21]([H:37])/[N:19]=[C:10](/[C:1]#[N:16])\\[c:8]2[n:17][n:18][c:9]3[n:20]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:24])[H:26])[I:22])[H:25]', inchi_key='VKHSVOJFWYPDRF-UYRXBGFRSA-N'), OptimizationResult(type='optimization', record_id='18437470', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[N:21]([H:37])/[N:19]=[C:10](/[C:1]#[N:16])\\[c:8]2[n:17][n:18][c:9]3[n:20]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:24])[H:26])[I:22])[H:25]', inchi_key='VKHSVOJFWYPDRF-UYRXBGFRSA-N'), OptimizationResult(type='optimization', record_id='18437471', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[N:21]([H:37])/[N:19]=[C:10](/[C:1]#[N:16])\\[c:8]2[n:17][n:18][c:9]3[n:20]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:24])[H:26])[I:22])[H:25]', inchi_key='VKHSVOJFWYPDRF-UYRXBGFRSA-N'), OptimizationResult(type='optimization', record_id='18437472', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[N:21]([H:37])/[N:19]=[C:10](/[C:1]#[N:16])\\[c:8]2[n:17][n:18][c:9]3[n:20]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:24])[H:26])[I:22])[H:25]', inchi_key='VKHSVOJFWYPDRF-UYRXBGFRSA-N'), OptimizationResult(type='optimization', record_id='18437473', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[N:21]([H:37])/[N:19]=[C:10](/[C:1]#[N:16])\\[c:8]2[n:17][n:18][c:9]3[n:20]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:24])[H:26])[I:22])[H:25]', inchi_key='VKHSVOJFWYPDRF-UYRXBGFRSA-N'), OptimizationResult(type='optimization', record_id='18437474', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437475', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437476', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437477', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437478', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437533', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437534', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437535', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437536', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437537', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437538', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437539', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437540', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437541', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437542', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437543', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437544', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437545', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437546', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437547', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437548', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437549', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437550', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437551', cmiles='[H:19][c:2]1[c:3]([c:7]([c:5]([c:8]([c:4]1[H:21])[Cl:18])[H:22])/[C:11](=[N:15]\\[N:16]([H:27])[c:9]2[c:6]([n:14][c:10]([o:17]2)[C:12]([H:24])([H:25])[H:26])[C:1]#[N:13])/[H:23])[H:20]', inchi_key='BKMIVZMYNWQCHX-CHHVJCJISA-N'), OptimizationResult(type='optimization', record_id='18437552', cmiles='[H:19][c:2]1[c:5]([c:12]([n:17][c:7]([c:8]1[C:1]#[N:16])[H:24])[N:18]([H:31])[c:11]2[c:4]([c:3]([c:9]3[c:10]([c:6]2[H:23])[C:14]([C:15]([C:13]3([H:25])[H:26])([H:29])[H:30])([H:27])[H:28])[H:20])[H:21])[H:22]', inchi_key='PCZHVJZXYHTARY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437553', cmiles='[H:19][c:2]1[c:5]([c:12]([n:17][c:7]([c:8]1[C:1]#[N:16])[H:24])[N:18]([H:31])[c:11]2[c:4]([c:3]([c:9]3[c:10]([c:6]2[H:23])[C:14]([C:15]([C:13]3([H:25])[H:26])([H:29])[H:30])([H:27])[H:28])[H:20])[H:21])[H:22]', inchi_key='PCZHVJZXYHTARY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437569', cmiles='[H:19][c:2]1[c:5]([c:12]([n:17][c:7]([c:8]1[C:1]#[N:16])[H:24])[N:18]([H:31])[c:11]2[c:4]([c:3]([c:9]3[c:10]([c:6]2[H:23])[C:14]([C:15]([C:13]3([H:25])[H:26])([H:29])[H:30])([H:27])[H:28])[H:20])[H:21])[H:22]', inchi_key='PCZHVJZXYHTARY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437570', cmiles='[H:19][c:2]1[c:5]([c:12]([n:17][c:7]([c:8]1[C:1]#[N:16])[H:24])[N:18]([H:31])[c:11]2[c:4]([c:3]([c:9]3[c:10]([c:6]2[H:23])[C:14]([C:15]([C:13]3([H:25])[H:26])([H:29])[H:30])([H:27])[H:28])[H:20])[H:21])[H:22]', inchi_key='PCZHVJZXYHTARY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437581', cmiles='[H:19][c:2]1[c:5]([c:12]([n:17][c:7]([c:8]1[C:1]#[N:16])[H:24])[N:18]([H:31])[c:11]2[c:4]([c:3]([c:9]3[c:10]([c:6]2[H:23])[C:14]([C:15]([C:13]3([H:25])[H:26])([H:29])[H:30])([H:27])[H:28])[H:20])[H:21])[H:22]', inchi_key='PCZHVJZXYHTARY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437582', cmiles='[H:19][c:2]1[c:5]([c:12]([n:17][c:7]([c:8]1[C:1]#[N:16])[H:24])[N:18]([H:31])[c:11]2[c:4]([c:3]([c:9]3[c:10]([c:6]2[H:23])[C:14]([C:15]([C:13]3([H:25])[H:26])([H:29])[H:30])([H:27])[H:28])[H:20])[H:21])[H:22]', inchi_key='PCZHVJZXYHTARY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437583', cmiles='[H:21][c:2]1[c:3]([c:5]([c:10]([c:6]([c:4]1[H:23])[H:25])/[C:15](=[C:16](/[C:1]#[N:18])\\[c:14]2[n:19][c:12]3[c:9]([c:11]([c:7]([c:8]([c:13]3[n:20]2[H:33])[H:27])[H:26])[C:17]([H:30])([H:31])[H:32])[H:28])/[H:29])[H:24])[H:22]', inchi_key='NRCCRFCRDDVDSV-UVTDQMKNSA-N'), OptimizationResult(type='optimization', record_id='18437584', cmiles='[H:21][c:2]1[c:3]([c:5]([c:10]([c:6]([c:4]1[H:23])[H:25])/[C:15](=[C:16](/[C:1]#[N:18])\\[c:14]2[n:19][c:12]3[c:9]([c:11]([c:7]([c:8]([c:13]3[n:20]2[H:33])[H:27])[H:26])[C:17]([H:30])([H:31])[H:32])[H:28])/[H:29])[H:24])[H:22]', inchi_key='NRCCRFCRDDVDSV-UVTDQMKNSA-N'), OptimizationResult(type='optimization', record_id='18437585', cmiles='[H:21][c:2]1[c:3]([c:5]([c:10]([c:6]([c:4]1[H:23])[H:25])/[C:15](=[C:16](/[C:1]#[N:18])\\[c:14]2[n:19][c:12]3[c:9]([c:11]([c:7]([c:8]([c:13]3[n:20]2[H:33])[H:27])[H:26])[C:17]([H:30])([H:31])[H:32])[H:28])/[H:29])[H:24])[H:22]', inchi_key='NRCCRFCRDDVDSV-UVTDQMKNSA-N'), OptimizationResult(type='optimization', record_id='18437586', cmiles='[H:19][c:2]1[c:3]([c:7]([c:8]([c:4]([c:6]1[C:12]([H:25])([H:26])[n:15]2[c:10]([c:5]([c:9]([n:14]2)[C:11]([H:22])([H:23])[H:24])[C:1]#[N:13])[N:16]([H:27])[H:28])[H:21])[Br:18])[F:17])[H:20]', inchi_key='LOBPHROIUZNLMQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437587', cmiles='[H:19][c:2]1[c:3]([c:7]([c:8]([c:4]([c:6]1[C:12]([H:25])([H:26])[n:15]2[c:10]([c:5]([c:9]([n:14]2)[C:11]([H:22])([H:23])[H:24])[C:1]#[N:13])[N:16]([H:27])[H:28])[H:21])[Br:18])[F:17])[H:20]', inchi_key='LOBPHROIUZNLMQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437588', cmiles='[H:19][c:2]1[c:3]([c:7]([c:8]([c:4]([c:6]1[C:12]([H:25])([H:26])[n:15]2[c:10]([c:5]([c:9]([n:14]2)[C:11]([H:22])([H:23])[H:24])[C:1]#[N:13])[N:16]([H:27])[H:28])[H:21])[Br:18])[F:17])[H:20]', inchi_key='LOBPHROIUZNLMQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437606', cmiles='[H:19][c:2]1[c:3]([c:7]([c:8]([c:4]([c:6]1[C:12]([H:25])([H:26])[n:15]2[c:10]([c:5]([c:9]([n:14]2)[C:11]([H:22])([H:23])[H:24])[C:1]#[N:13])[N:16]([H:27])[H:28])[H:21])[Br:18])[F:17])[H:20]', inchi_key='LOBPHROIUZNLMQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437607', cmiles='[H:19][c:2]1[c:3]([c:7]([c:8]([c:4]([c:6]1[C:12]([H:25])([H:26])[n:15]2[c:10]([c:5]([c:9]([n:14]2)[C:11]([H:22])([H:23])[H:24])[C:1]#[N:13])[N:16]([H:27])[H:28])[H:21])[Br:18])[F:17])[H:20]', inchi_key='LOBPHROIUZNLMQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437608', cmiles='[H:19][c:2]1[c:3]([c:7]([c:8]([c:4]([c:6]1[C:12]([H:25])([H:26])[n:15]2[c:10]([c:5]([c:9]([n:14]2)[C:11]([H:22])([H:23])[H:24])[C:1]#[N:13])[N:16]([H:27])[H:28])[H:21])[Br:18])[F:17])[H:20]', inchi_key='LOBPHROIUZNLMQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437609', cmiles='[H:19][c:2]1[c:3]([c:7]([c:8]([c:4]([c:6]1[C:12]([H:25])([H:26])[n:15]2[c:10]([c:5]([c:9]([n:14]2)[C:11]([H:22])([H:23])[H:24])[C:1]#[N:13])[N:16]([H:27])[H:28])[H:21])[Br:18])[F:17])[H:20]', inchi_key='LOBPHROIUZNLMQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437617', cmiles='[H:19][c:2]1[c:3]([c:7]([c:8]([c:4]([c:6]1[C:12]([H:25])([H:26])[n:15]2[c:10]([c:5]([c:9]([n:14]2)[C:11]([H:22])([H:23])[H:24])[C:1]#[N:13])[N:16]([H:27])[H:28])[H:21])[Br:18])[F:17])[H:20]', inchi_key='LOBPHROIUZNLMQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437618', cmiles='[H:19][c:2]1[c:3]([c:7]([c:8]([c:4]([c:6]1[C:12]([H:25])([H:26])[n:15]2[c:10]([c:5]([c:9]([n:14]2)[C:11]([H:22])([H:23])[H:24])[C:1]#[N:13])[N:16]([H:27])[H:28])[H:21])[Br:18])[F:17])[H:20]', inchi_key='LOBPHROIUZNLMQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437640', cmiles='[H:19][C:1]#[C:2][c:10]1[c:4]([c:3]([c:5]([c:12]([c:7]1[H:24])[N:16]([H:27])[C:14](=[O:17])[c:11]2[c:6]([c:9]([n:15][c:13]([c:8]2[H:25])[Cl:18])[H:26])[H:23])[H:22])[H:20])[H:21]', inchi_key='AFDVUIUPSSQYHJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437641', cmiles='[H:19][C:1]#[C:2][c:10]1[c:4]([c:3]([c:5]([c:12]([c:7]1[H:24])[N:16]([H:27])[C:14](=[O:17])[c:11]2[c:6]([c:9]([n:15][c:13]([c:8]2[H:25])[Cl:18])[H:26])[H:23])[H:22])[H:20])[H:21]', inchi_key='AFDVUIUPSSQYHJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437642', cmiles='[H:19][C:1]#[C:2][c:10]1[c:4]([c:3]([c:5]([c:12]([c:7]1[H:24])[N:16]([H:27])[C:14](=[O:17])[c:11]2[c:6]([c:9]([n:15][c:13]([c:8]2[H:25])[Cl:18])[H:26])[H:23])[H:22])[H:20])[H:21]', inchi_key='AFDVUIUPSSQYHJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437673', cmiles='[H:19][C:1]#[C:2][c:10]1[c:4]([c:3]([c:5]([c:12]([c:7]1[H:24])[N:16]([H:27])[C:14](=[O:17])[c:11]2[c:6]([c:9]([n:15][c:13]([c:8]2[H:25])[Cl:18])[H:26])[H:23])[H:22])[H:20])[H:21]', inchi_key='AFDVUIUPSSQYHJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437674', cmiles='[H:19][C:1]#[C:2][c:10]1[c:4]([c:3]([c:5]([c:12]([c:7]1[H:24])[N:16]([H:27])[C:14](=[O:17])[c:11]2[c:6]([c:9]([n:15][c:13]([c:8]2[H:25])[Cl:18])[H:26])[H:23])[H:22])[H:20])[H:21]', inchi_key='AFDVUIUPSSQYHJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437675', cmiles='[H:19][C:1]#[C:2][c:10]1[c:4]([c:3]([c:5]([c:12]([c:7]1[H:24])[N:16]([H:27])[C:14](=[O:17])[c:11]2[c:6]([c:9]([n:15][c:13]([c:8]2[H:25])[Cl:18])[H:26])[H:23])[H:22])[H:20])[H:21]', inchi_key='AFDVUIUPSSQYHJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437676', cmiles='[H:22][c:1]1[c:2]([c:5]([c:11]2[c:9]([c:3]1[H:24])[c:14]([n:17][c:8]([n:16]2)[H:29])[N:19]([H:31])/[N:18]=[C:15](/[H:30])\\[c:10]3[c:4]([c:6]([c:12]([c:13]([c:7]3[H:28])[Cl:21])[Cl:20])[H:27])[H:25])[H:26])[H:23]', inchi_key='QBSKJAJKLCDFAG-ZBKNUEDVSA-N'), OptimizationResult(type='optimization', record_id='18437677', cmiles='[H:22][c:1]1[c:2]([c:5]([c:11]2[c:9]([c:3]1[H:24])[c:14]([n:17][c:8]([n:16]2)[H:29])[N:19]([H:31])/[N:18]=[C:15](/[H:30])\\[c:10]3[c:4]([c:6]([c:12]([c:13]([c:7]3[H:28])[Cl:21])[Cl:20])[H:27])[H:25])[H:26])[H:23]', inchi_key='QBSKJAJKLCDFAG-ZBKNUEDVSA-N'), OptimizationResult(type='optimization', record_id='18437678', cmiles='[H:22][c:1]1[c:2]([c:5]([c:11]2[c:9]([c:3]1[H:24])[c:14]([n:17][c:8]([n:16]2)[H:29])[N:19]([H:31])/[N:18]=[C:15](/[H:30])\\[c:10]3[c:4]([c:6]([c:12]([c:13]([c:7]3[H:28])[Cl:21])[Cl:20])[H:27])[H:25])[H:26])[H:23]', inchi_key='QBSKJAJKLCDFAG-ZBKNUEDVSA-N'), OptimizationResult(type='optimization', record_id='18437679', cmiles='[H:22][c:1]1[c:2]([c:5]([c:11]2[c:9]([c:3]1[H:24])[c:14]([n:17][c:8]([n:16]2)[H:29])[N:19]([H:31])/[N:18]=[C:15](/[H:30])\\[c:10]3[c:4]([c:6]([c:12]([c:13]([c:7]3[H:28])[Cl:21])[Cl:20])[H:27])[H:25])[H:26])[H:23]', inchi_key='QBSKJAJKLCDFAG-ZBKNUEDVSA-N'), OptimizationResult(type='optimization', record_id='18437680', cmiles='[H:22][c:1]1[c:2]([c:5]([c:11]2[c:9]([c:3]1[H:24])[c:14]([n:17][c:8]([n:16]2)[H:29])[N:19]([H:31])/[N:18]=[C:15](/[H:30])\\[c:10]3[c:4]([c:6]([c:12]([c:13]([c:7]3[H:28])[Cl:21])[Cl:20])[H:27])[H:25])[H:26])[H:23]', inchi_key='QBSKJAJKLCDFAG-ZBKNUEDVSA-N'), OptimizationResult(type='optimization', record_id='18437681', cmiles='[H:22][c:1]1[c:2]([c:5]([c:11]2[c:9]([c:3]1[H:24])[c:14]([n:17][c:8]([n:16]2)[H:29])[N:19]([H:31])/[N:18]=[C:15](/[H:30])\\[c:10]3[c:4]([c:6]([c:12]([c:13]([c:7]3[H:28])[Cl:21])[Cl:20])[H:27])[H:25])[H:26])[H:23]', inchi_key='QBSKJAJKLCDFAG-ZBKNUEDVSA-N'), OptimizationResult(type='optimization', record_id='18437682', cmiles='[H:22][c:1]1[c:2]([c:5]([c:11]2[c:9]([c:3]1[H:24])[c:14]([n:17][c:8]([n:16]2)[H:29])[N:19]([H:31])/[N:18]=[C:15](/[H:30])\\[c:10]3[c:4]([c:6]([c:12]([c:13]([c:7]3[H:28])[Cl:21])[Cl:20])[H:27])[H:25])[H:26])[H:23]', inchi_key='QBSKJAJKLCDFAG-ZBKNUEDVSA-N'), OptimizationResult(type='optimization', record_id='18437683', cmiles='[H:22][c:1]1[c:2]([c:5]([c:11]2[c:9]([c:3]1[H:24])[c:14]([n:17][c:8]([n:16]2)[H:29])[N:19]([H:31])/[N:18]=[C:15](/[H:30])\\[c:10]3[c:4]([c:6]([c:12]([c:13]([c:7]3[H:28])[Cl:21])[Cl:20])[H:27])[H:25])[H:26])[H:23]', inchi_key='QBSKJAJKLCDFAG-ZBKNUEDVSA-N'), OptimizationResult(type='optimization', record_id='18437684', cmiles='[H:22][c:1]1[c:2]([c:5]([c:11]2[c:9]([c:3]1[H:24])[c:14]([n:17][c:8]([n:16]2)[H:29])[N:19]([H:31])/[N:18]=[C:15](/[H:30])\\[c:10]3[c:4]([c:6]([c:12]([c:13]([c:7]3[H:28])[Cl:21])[Cl:20])[H:27])[H:25])[H:26])[H:23]', inchi_key='QBSKJAJKLCDFAG-ZBKNUEDVSA-N'), OptimizationResult(type='optimization', record_id='18437685', cmiles='[H:22][c:1]1[c:2]([c:5]([c:11]2[c:9]([c:3]1[H:24])[c:14]([n:17][c:8]([n:16]2)[H:29])[N:19]([H:31])/[N:18]=[C:15](/[H:30])\\[c:10]3[c:4]([c:6]([c:12]([c:13]([c:7]3[H:28])[Cl:21])[Cl:20])[H:27])[H:25])[H:26])[H:23]', inchi_key='QBSKJAJKLCDFAG-ZBKNUEDVSA-N'), OptimizationResult(type='optimization', record_id='18437686', cmiles='[H:22][c:1]1[c:2]([c:5]([c:11]2[c:9]([c:3]1[H:24])[c:14]([n:17][c:8]([n:16]2)[H:29])[N:19]([H:31])/[N:18]=[C:15](/[H:30])\\[c:10]3[c:4]([c:6]([c:12]([c:13]([c:7]3[H:28])[Cl:21])[Cl:20])[H:27])[H:25])[H:26])[H:23]', inchi_key='QBSKJAJKLCDFAG-ZBKNUEDVSA-N'), OptimizationResult(type='optimization', record_id='18437687', cmiles='[H:22][c:1]1[c:2]([c:5]([c:11]2[c:9]([c:3]1[H:24])[c:14]([n:17][c:8]([n:16]2)[H:29])[N:19]([H:31])/[N:18]=[C:15](/[H:30])\\[c:10]3[c:4]([c:6]([c:12]([c:13]([c:7]3[H:28])[Cl:21])[Cl:20])[H:27])[H:25])[H:26])[H:23]', inchi_key='QBSKJAJKLCDFAG-ZBKNUEDVSA-N'), OptimizationResult(type='optimization', record_id='18437688', cmiles='[H:22][c:1]1[c:2]([c:5]([c:11]2[c:9]([c:3]1[H:24])[c:14]([n:17][c:8]([n:16]2)[H:29])[N:19]([H:31])/[N:18]=[C:15](/[H:30])\\[c:10]3[c:4]([c:6]([c:12]([c:13]([c:7]3[H:28])[Cl:21])[Cl:20])[H:27])[H:25])[H:26])[H:23]', inchi_key='QBSKJAJKLCDFAG-ZBKNUEDVSA-N'), OptimizationResult(type='optimization', record_id='18437689', cmiles='[H:22][c:1]1[c:2]([c:5]([c:11]2[c:9]([c:3]1[H:24])[c:14]([n:17][c:8]([n:16]2)[H:29])[N:19]([H:31])/[N:18]=[C:15](/[H:30])\\[c:10]3[c:4]([c:6]([c:12]([c:13]([c:7]3[H:28])[Cl:21])[Cl:20])[H:27])[H:25])[H:26])[H:23]', inchi_key='QBSKJAJKLCDFAG-ZBKNUEDVSA-N'), OptimizationResult(type='optimization', record_id='18437690', cmiles='[H:22][c:1]1[c:2]([c:5]([c:11]2[c:9]([c:3]1[H:24])[c:14]([n:17][c:8]([n:16]2)[H:29])[N:19]([H:31])/[N:18]=[C:15](/[H:30])\\[c:10]3[c:4]([c:6]([c:12]([c:13]([c:7]3[H:28])[Cl:21])[Cl:20])[H:27])[H:25])[H:26])[H:23]', inchi_key='QBSKJAJKLCDFAG-ZBKNUEDVSA-N'), OptimizationResult(type='optimization', record_id='18437691', cmiles='[H:22][c:1]1[c:2]([c:5]([c:11]2[c:9]([c:3]1[H:24])[c:14]([n:17][c:8]([n:16]2)[H:29])[N:19]([H:31])/[N:18]=[C:15](/[H:30])\\[c:10]3[c:4]([c:6]([c:12]([c:13]([c:7]3[H:28])[Cl:21])[Cl:20])[H:27])[H:25])[H:26])[H:23]', inchi_key='QBSKJAJKLCDFAG-ZBKNUEDVSA-N'), OptimizationResult(type='optimization', record_id='18437692', cmiles='[H:22][c:1]1[c:2]([c:8]([n:15][n:14][c:6]1[c:9]2[n:16][c:10]([o:18][n:17]2)[c:7]3[c:5]4[c:4]([c:3]([s:21]3)[H:24])[O:19][C:11]([C:12]([O:20]4)([H:27])[H:28])([H:25])[H:26])[C:13]([H:29])([H:30])[H:31])[H:23]', inchi_key='MXJJNULONHGLTR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437693', cmiles='[H:22][c:1]1[c:2]([c:8]([n:15][n:14][c:6]1[c:9]2[n:16][c:10]([o:18][n:17]2)[c:7]3[c:5]4[c:4]([c:3]([s:21]3)[H:24])[O:19][C:11]([C:12]([O:20]4)([H:27])[H:28])([H:25])[H:26])[C:13]([H:29])([H:30])[H:31])[H:23]', inchi_key='MXJJNULONHGLTR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437694', cmiles='[H:22][c:1]1[c:2]([c:8]([n:15][n:14][c:6]1[c:9]2[n:16][c:10]([o:18][n:17]2)[c:7]3[c:5]4[c:4]([c:3]([s:21]3)[H:24])[O:19][C:11]([C:12]([O:20]4)([H:27])[H:28])([H:25])[H:26])[C:13]([H:29])([H:30])[H:31])[H:23]', inchi_key='MXJJNULONHGLTR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437695', cmiles='[H:22][c:1]1[c:2]([c:8]([n:15][n:14][c:6]1[c:9]2[n:16][c:10]([o:18][n:17]2)[c:7]3[c:5]4[c:4]([c:3]([s:21]3)[H:24])[O:19][C:11]([C:12]([O:20]4)([H:27])[H:28])([H:25])[H:26])[C:13]([H:29])([H:30])[H:31])[H:23]', inchi_key='MXJJNULONHGLTR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437696', cmiles='[H:22][c:1]1[c:2]([c:8]([n:15][n:14][c:6]1[c:9]2[n:16][c:10]([o:18][n:17]2)[c:7]3[c:5]4[c:4]([c:3]([s:21]3)[H:24])[O:19][C:11]([C:12]([O:20]4)([H:27])[H:28])([H:25])[H:26])[C:13]([H:29])([H:30])[H:31])[H:23]', inchi_key='MXJJNULONHGLTR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437697', cmiles='[H:22][c:1]1[c:2]([c:8]([n:15][n:14][c:6]1[c:9]2[n:16][c:10]([o:18][n:17]2)[c:7]3[c:5]4[c:4]([c:3]([s:21]3)[H:24])[O:19][C:11]([C:12]([O:20]4)([H:27])[H:28])([H:25])[H:26])[C:13]([H:29])([H:30])[H:31])[H:23]', inchi_key='MXJJNULONHGLTR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437698', cmiles='[H:22][c:1]1[c:2]([c:8]([n:15][n:14][c:6]1[c:9]2[n:16][c:10]([o:18][n:17]2)[c:7]3[c:5]4[c:4]([c:3]([s:21]3)[H:24])[O:19][C:11]([C:12]([O:20]4)([H:27])[H:28])([H:25])[H:26])[C:13]([H:29])([H:30])[H:31])[H:23]', inchi_key='MXJJNULONHGLTR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437699', cmiles='[H:22][c:1]1[c:2]([c:8]([n:15][n:14][c:6]1[c:9]2[n:16][c:10]([o:18][n:17]2)[c:7]3[c:5]4[c:4]([c:3]([s:21]3)[H:24])[O:19][C:11]([C:12]([O:20]4)([H:27])[H:28])([H:25])[H:26])[C:13]([H:29])([H:30])[H:31])[H:23]', inchi_key='MXJJNULONHGLTR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437700', cmiles='[H:12][c:1]1[c:2]([n:9][c:3]([c:5]([c:4]1[C@@:8]2([C:6]([C:7]([N:10]2[H:20])([H:17])[H:18])([H:15])[H:16])[H:19])[Cl:11])[H:14])[H:13]', inchi_key='OGZNZSWRKQXDLA-QMMMGPOBSA-N'), OptimizationResult(type='optimization', record_id='18437701', cmiles='[H:12][c:1]1[c:2]([n:9][c:3]([c:5]([c:4]1[C@@:8]2([C:6]([C:7]([N:10]2[H:20])([H:17])[H:18])([H:15])[H:16])[H:19])[Cl:11])[H:14])[H:13]', inchi_key='OGZNZSWRKQXDLA-QMMMGPOBSA-N'), OptimizationResult(type='optimization', record_id='18437718', cmiles='[H:22][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:24])[C:15]([H:43])([H:44])[N@@:17]2[C:11]([C@@:13]3([C:7]([C:6]([C:9]2([H:32])[H:33])([H:26])[H:27])([H:28])[H:29])[C:8]([C:10]([N@:18]([C:12]3([H:38])[H:39])[S:21](=[O:19])(=[O:20])[C:14]([H:40])([H:41])[H:42])([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[H:25])[H:23]', inchi_key='ZCNTWSCKSSRKQK-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18437719', cmiles='[H:22][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:24])[C:15]([H:43])([H:44])[N@@:17]2[C:11]([C@@:13]3([C:7]([C:6]([C:9]2([H:32])[H:33])([H:26])[H:27])([H:28])[H:29])[C:8]([C:10]([N@:18]([C:12]3([H:38])[H:39])[S:21](=[O:19])(=[O:20])[C:14]([H:40])([H:41])[H:42])([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[H:25])[H:23]', inchi_key='ZCNTWSCKSSRKQK-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18437720', cmiles='[H:22][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:24])[C:15]([H:43])([H:44])[N@@:17]2[C:11]([C@@:13]3([C:7]([C:6]([C:9]2([H:32])[H:33])([H:26])[H:27])([H:28])[H:29])[C:8]([C:10]([N@:18]([C:12]3([H:38])[H:39])[S:21](=[O:19])(=[O:20])[C:14]([H:40])([H:41])[H:42])([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[H:25])[H:23]', inchi_key='ZCNTWSCKSSRKQK-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18437721', cmiles='[H:22][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:24])[C:15]([H:43])([H:44])[N@@:17]2[C:11]([C@@:13]3([C:7]([C:6]([C:9]2([H:32])[H:33])([H:26])[H:27])([H:28])[H:29])[C:8]([C:10]([N@:18]([C:12]3([H:38])[H:39])[S:21](=[O:19])(=[O:20])[C:14]([H:40])([H:41])[H:42])([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[H:25])[H:23]', inchi_key='ZCNTWSCKSSRKQK-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18437722', cmiles='[H:22][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:24])[C:15]([H:43])([H:44])[N@@:17]2[C:11]([C@@:13]3([C:7]([C:6]([C:9]2([H:32])[H:33])([H:26])[H:27])([H:28])[H:29])[C:8]([C:10]([N@:18]([C:12]3([H:38])[H:39])[S:21](=[O:19])(=[O:20])[C:14]([H:40])([H:41])[H:42])([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[H:25])[H:23]', inchi_key='ZCNTWSCKSSRKQK-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18437723', cmiles='[H:22][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:24])[C:15]([H:43])([H:44])[N@@:17]2[C:11]([C@@:13]3([C:7]([C:6]([C:9]2([H:32])[H:33])([H:26])[H:27])([H:28])[H:29])[C:8]([C:10]([N@:18]([C:12]3([H:38])[H:39])[S:21](=[O:19])(=[O:20])[C:14]([H:40])([H:41])[H:42])([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[H:25])[H:23]', inchi_key='ZCNTWSCKSSRKQK-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18437724', cmiles='[H:22][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:24])[C:15]([H:43])([H:44])[N@@:17]2[C:11]([C@@:13]3([C:7]([C:6]([C:9]2([H:32])[H:33])([H:26])[H:27])([H:28])[H:29])[C:8]([C:10]([N@:18]([C:12]3([H:38])[H:39])[S:21](=[O:19])(=[O:20])[C:14]([H:40])([H:41])[H:42])([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[H:25])[H:23]', inchi_key='ZCNTWSCKSSRKQK-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18437725', cmiles='[H:22][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:24])[C:15]([H:43])([H:44])[N@@:17]2[C:11]([C@@:13]3([C:7]([C:6]([C:9]2([H:32])[H:33])([H:26])[H:27])([H:28])[H:29])[C:8]([C:10]([N@:18]([C:12]3([H:38])[H:39])[S:21](=[O:19])(=[O:20])[C:14]([H:40])([H:41])[H:42])([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[H:25])[H:23]', inchi_key='ZCNTWSCKSSRKQK-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18437726', cmiles='[H:22][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:24])[C:15]([H:43])([H:44])[N@@:17]2[C:11]([C@@:13]3([C:7]([C:6]([C:9]2([H:32])[H:33])([H:26])[H:27])([H:28])[H:29])[C:8]([C:10]([N@:18]([C:12]3([H:38])[H:39])[S:21](=[O:19])(=[O:20])[C:14]([H:40])([H:41])[H:42])([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[H:25])[H:23]', inchi_key='ZCNTWSCKSSRKQK-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18437727', cmiles='[H:22][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:24])[C:15]([H:43])([H:44])[N@@:17]2[C:11]([C@@:13]3([C:7]([C:6]([C:9]2([H:32])[H:33])([H:26])[H:27])([H:28])[H:29])[C:8]([C:10]([N@:18]([C:12]3([H:38])[H:39])[S:21](=[O:19])(=[O:20])[C:14]([H:40])([H:41])[H:42])([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[H:25])[H:23]', inchi_key='ZCNTWSCKSSRKQK-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18437728', cmiles='[H:22][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:24])[C:15]([H:43])([H:44])[N@@:17]2[C:11]([C@@:13]3([C:7]([C:6]([C:9]2([H:32])[H:33])([H:26])[H:27])([H:28])[H:29])[C:8]([C:10]([N@:18]([C:12]3([H:38])[H:39])[S:21](=[O:19])(=[O:20])[C:14]([H:40])([H:41])[H:42])([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[H:25])[H:23]', inchi_key='ZCNTWSCKSSRKQK-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18437729', cmiles='[H:22][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:24])[C:15]([H:43])([H:44])[N@@:17]2[C:11]([C@@:13]3([C:7]([C:6]([C:9]2([H:32])[H:33])([H:26])[H:27])([H:28])[H:29])[C:8]([C:10]([N@:18]([C:12]3([H:38])[H:39])[S:21](=[O:19])(=[O:20])[C:14]([H:40])([H:41])[H:42])([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[H:25])[H:23]', inchi_key='ZCNTWSCKSSRKQK-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18437730', cmiles='[H:22][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:24])[C:15]([H:43])([H:44])[N@@:17]2[C:11]([C@@:13]3([C:7]([C:6]([C:9]2([H:32])[H:33])([H:26])[H:27])([H:28])[H:29])[C:8]([C:10]([N@:18]([C:12]3([H:38])[H:39])[S:21](=[O:19])(=[O:20])[C:14]([H:40])([H:41])[H:42])([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[H:25])[H:23]', inchi_key='ZCNTWSCKSSRKQK-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18437731', cmiles='[H:22][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:24])[C:15]([H:43])([H:44])[N@@:17]2[C:11]([C@@:13]3([C:7]([C:6]([C:9]2([H:32])[H:33])([H:26])[H:27])([H:28])[H:29])[C:8]([C:10]([N@:18]([C:12]3([H:38])[H:39])[S:21](=[O:19])(=[O:20])[C:14]([H:40])([H:41])[H:42])([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[H:25])[H:23]', inchi_key='ZCNTWSCKSSRKQK-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18437732', cmiles='[H:22][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:24])[C:15]([H:43])([H:44])[N@@:17]2[C:11]([C@@:13]3([C:7]([C:6]([C:9]2([H:32])[H:33])([H:26])[H:27])([H:28])[H:29])[C:8]([C:10]([N@:18]([C:12]3([H:38])[H:39])[S:21](=[O:19])(=[O:20])[C:14]([H:40])([H:41])[H:42])([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[H:25])[H:23]', inchi_key='ZCNTWSCKSSRKQK-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18437756', cmiles='[H:22][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:24])[C:15]([H:43])([H:44])[N@@:17]2[C:11]([C@@:13]3([C:7]([C:6]([C:9]2([H:32])[H:33])([H:26])[H:27])([H:28])[H:29])[C:8]([C:10]([N@:18]([C:12]3([H:38])[H:39])[S:21](=[O:19])(=[O:20])[C:14]([H:40])([H:41])[H:42])([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[H:25])[H:23]', inchi_key='ZCNTWSCKSSRKQK-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18437757', cmiles='[H:22][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:24])[C:15]([H:43])([H:44])[N@@:17]2[C:11]([C@@:13]3([C:7]([C:6]([C:9]2([H:32])[H:33])([H:26])[H:27])([H:28])[H:29])[C:8]([C:10]([N@:18]([C:12]3([H:38])[H:39])[S:21](=[O:19])(=[O:20])[C:14]([H:40])([H:41])[H:42])([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[H:25])[H:23]', inchi_key='ZCNTWSCKSSRKQK-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18437758', cmiles='[H:22][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:24])[C:15]([H:43])([H:44])[N@@:17]2[C:11]([C@@:13]3([C:7]([C:6]([C:9]2([H:32])[H:33])([H:26])[H:27])([H:28])[H:29])[C:8]([C:10]([N@:18]([C:12]3([H:38])[H:39])[S:21](=[O:19])(=[O:20])[C:14]([H:40])([H:41])[H:42])([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[H:25])[H:23]', inchi_key='ZCNTWSCKSSRKQK-OAHLLOKOSA-N'), OptimizationResult(type='optimization', record_id='18437759', cmiles='[H:25][c:2]1[c:3]([c:10]([c:9]([c:12]([c:4]1[H:27])/[N:21]=[C:17](/[H:33])\\[c:11]2[c:15]([n:20][n:22]([c:16]2[Cl:24])[c:13]3[c:5]([c:7]([c:14]([c:8]([c:6]3[H:29])[H:31])[F:23])[H:30])[H:28])[C:18]([H:34])([H:35])[H:36])[H:32])[C:1]#[N:19])[H:26]', inchi_key='SERUBGWRMXQLMJ-JJFYIABZSA-N'), OptimizationResult(type='optimization', record_id='18437760', cmiles='[H:25][c:2]1[c:3]([c:10]([c:9]([c:12]([c:4]1[H:27])/[N:21]=[C:17](/[H:33])\\[c:11]2[c:15]([n:20][n:22]([c:16]2[Cl:24])[c:13]3[c:5]([c:7]([c:14]([c:8]([c:6]3[H:29])[H:31])[F:23])[H:30])[H:28])[C:18]([H:34])([H:35])[H:36])[H:32])[C:1]#[N:19])[H:26]', inchi_key='SERUBGWRMXQLMJ-JJFYIABZSA-N'), OptimizationResult(type='optimization', record_id='18437761', cmiles='[H:25][c:2]1[c:3]([c:10]([c:9]([c:12]([c:4]1[H:27])/[N:21]=[C:17](/[H:33])\\[c:11]2[c:15]([n:20][n:22]([c:16]2[Cl:24])[c:13]3[c:5]([c:7]([c:14]([c:8]([c:6]3[H:29])[H:31])[F:23])[H:30])[H:28])[C:18]([H:34])([H:35])[H:36])[H:32])[C:1]#[N:19])[H:26]', inchi_key='SERUBGWRMXQLMJ-JJFYIABZSA-N'), OptimizationResult(type='optimization', record_id='18437762', cmiles='[H:25][c:2]1[c:3]([c:10]([c:9]([c:12]([c:4]1[H:27])/[N:21]=[C:17](/[H:33])\\[c:11]2[c:15]([n:20][n:22]([c:16]2[Cl:24])[c:13]3[c:5]([c:7]([c:14]([c:8]([c:6]3[H:29])[H:31])[F:23])[H:30])[H:28])[C:18]([H:34])([H:35])[H:36])[H:32])[C:1]#[N:19])[H:26]', inchi_key='SERUBGWRMXQLMJ-JJFYIABZSA-N'), OptimizationResult(type='optimization', record_id='18437763', cmiles='[H:22][c:2]1[c:4]([c:10]([c:5]([c:3]([c:9]1[C:1]#[N:18])[H:23])[H:25])[C:14](=[O:20])[N:19]2[c:12]3[c:8]([c:11]([c:6]([c:7]([c:13]3[O:21][C:16]([C:15]2([H:29])[H:30])([H:31])[H:32])[H:27])[H:26])[C:17]([H:33])([H:34])[H:35])[H:28])[H:24]', inchi_key='YEUKKEXTEYCKFN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437764', cmiles='[H:22][c:2]1[c:4]([c:10]([c:5]([c:3]([c:9]1[C:1]#[N:18])[H:23])[H:25])[C:14](=[O:20])[N:19]2[c:12]3[c:8]([c:11]([c:6]([c:7]([c:13]3[O:21][C:16]([C:15]2([H:29])[H:30])([H:31])[H:32])[H:27])[H:26])[C:17]([H:33])([H:34])[H:35])[H:28])[H:24]', inchi_key='YEUKKEXTEYCKFN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437765', cmiles='[H:22][c:2]1[c:4]([c:10]([c:5]([c:3]([c:9]1[C:1]#[N:18])[H:23])[H:25])[C:14](=[O:20])[N:19]2[c:12]3[c:8]([c:11]([c:6]([c:7]([c:13]3[O:21][C:16]([C:15]2([H:29])[H:30])([H:31])[H:32])[H:27])[H:26])[C:17]([H:33])([H:34])[H:35])[H:28])[H:24]', inchi_key='YEUKKEXTEYCKFN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437766', cmiles='[H:22][c:2]1[c:4]([c:10]([c:5]([c:3]([c:9]1[C:1]#[N:18])[H:23])[H:25])[C:14](=[O:20])[N:19]2[c:12]3[c:8]([c:11]([c:6]([c:7]([c:13]3[O:21][C:16]([C:15]2([H:29])[H:30])([H:31])[H:32])[H:27])[H:26])[C:17]([H:33])([H:34])[H:35])[H:28])[H:24]', inchi_key='YEUKKEXTEYCKFN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437767', cmiles='[H:13][c:2]1[c:3]([c:7]([c:4]([c:6]([c:5]1[C:1]#[N:10])[O:11][C:9]([H:19])([H:20])[C:8]([H:16])([H:17])[H:18])[H:15])[Br:12])[H:14]', inchi_key='BYYLYSYPEWKIPJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437768', cmiles='[H:13][c:2]1[c:3]([c:7]([c:6]([c:4]([c:5]1[C:1]#[N:9])[H:15])[C:8](=[O:10])[O:11][H:16])[Cl:12])[H:14]', inchi_key='OZNRJPYVSBAJLX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437769', cmiles='[H:13][c:2]1[c:3]([c:7]([c:6]([c:4]([c:5]1[C:1]#[N:9])[H:15])[C:8](=[O:10])[O:11][H:16])[Cl:12])[H:14]', inchi_key='OZNRJPYVSBAJLX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437770', cmiles='[H:25][c:2]1[c:3]([c:6](=[O:22])[n:19]([c:5]([c:4]1[C:8](=[O:24])[N:21]2[C:14]([C@@:15]3([C:7](=[O:23])[N:20]([C:12]([C:9]([C:10]3([H:28])[H:29])([H:26])[H:27])([H:32])[H:33])[C:17]([H:41])([H:42])[H:43])[C:11]([C:13]2([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[C:16]([H:38])([H:39])[H:40])[H:44])[C:1]#[N:18]', inchi_key='CBCLYNCDROLTJV-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18437771', cmiles='[H:25][c:2]1[c:3]([c:6](=[O:22])[n:19]([c:5]([c:4]1[C:8](=[O:24])[N:21]2[C:14]([C@@:15]3([C:7](=[O:23])[N:20]([C:12]([C:9]([C:10]3([H:28])[H:29])([H:26])[H:27])([H:32])[H:33])[C:17]([H:41])([H:42])[H:43])[C:11]([C:13]2([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[C:16]([H:38])([H:39])[H:40])[H:44])[C:1]#[N:18]', inchi_key='CBCLYNCDROLTJV-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18437772', cmiles='[H:25][c:2]1[c:3]([c:6](=[O:22])[n:19]([c:5]([c:4]1[C:8](=[O:24])[N:21]2[C:14]([C@@:15]3([C:7](=[O:23])[N:20]([C:12]([C:9]([C:10]3([H:28])[H:29])([H:26])[H:27])([H:32])[H:33])[C:17]([H:41])([H:42])[H:43])[C:11]([C:13]2([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[C:16]([H:38])([H:39])[H:40])[H:44])[C:1]#[N:18]', inchi_key='CBCLYNCDROLTJV-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18437773', cmiles='[H:25][c:2]1[c:3]([c:6](=[O:22])[n:19]([c:5]([c:4]1[C:8](=[O:24])[N:21]2[C:14]([C@@:15]3([C:7](=[O:23])[N:20]([C:12]([C:9]([C:10]3([H:28])[H:29])([H:26])[H:27])([H:32])[H:33])[C:17]([H:41])([H:42])[H:43])[C:11]([C:13]2([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[C:16]([H:38])([H:39])[H:40])[H:44])[C:1]#[N:18]', inchi_key='CBCLYNCDROLTJV-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18437774', cmiles='[H:25][c:2]1[c:3]([c:6](=[O:22])[n:19]([c:5]([c:4]1[C:8](=[O:24])[N:21]2[C:14]([C@@:15]3([C:7](=[O:23])[N:20]([C:12]([C:9]([C:10]3([H:28])[H:29])([H:26])[H:27])([H:32])[H:33])[C:17]([H:41])([H:42])[H:43])[C:11]([C:13]2([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[C:16]([H:38])([H:39])[H:40])[H:44])[C:1]#[N:18]', inchi_key='CBCLYNCDROLTJV-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18437775', cmiles='[H:25][c:2]1[c:3]([c:6](=[O:22])[n:19]([c:5]([c:4]1[C:8](=[O:24])[N:21]2[C:14]([C@@:15]3([C:7](=[O:23])[N:20]([C:12]([C:9]([C:10]3([H:28])[H:29])([H:26])[H:27])([H:32])[H:33])[C:17]([H:41])([H:42])[H:43])[C:11]([C:13]2([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[C:16]([H:38])([H:39])[H:40])[H:44])[C:1]#[N:18]', inchi_key='CBCLYNCDROLTJV-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18437776', cmiles='[H:25][c:2]1[c:3]([c:6](=[O:22])[n:19]([c:5]([c:4]1[C:8](=[O:24])[N:21]2[C:14]([C@@:15]3([C:7](=[O:23])[N:20]([C:12]([C:9]([C:10]3([H:28])[H:29])([H:26])[H:27])([H:32])[H:33])[C:17]([H:41])([H:42])[H:43])[C:11]([C:13]2([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[C:16]([H:38])([H:39])[H:40])[H:44])[C:1]#[N:18]', inchi_key='CBCLYNCDROLTJV-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18437777', cmiles='[H:25][c:2]1[c:3]([c:6](=[O:22])[n:19]([c:5]([c:4]1[C:8](=[O:24])[N:21]2[C:14]([C@@:15]3([C:7](=[O:23])[N:20]([C:12]([C:9]([C:10]3([H:28])[H:29])([H:26])[H:27])([H:32])[H:33])[C:17]([H:41])([H:42])[H:43])[C:11]([C:13]2([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[C:16]([H:38])([H:39])[H:40])[H:44])[C:1]#[N:18]', inchi_key='CBCLYNCDROLTJV-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18437778', cmiles='[H:25][c:2]1[c:3]([c:6](=[O:22])[n:19]([c:5]([c:4]1[C:8](=[O:24])[N:21]2[C:14]([C@@:15]3([C:7](=[O:23])[N:20]([C:12]([C:9]([C:10]3([H:28])[H:29])([H:26])[H:27])([H:32])[H:33])[C:17]([H:41])([H:42])[H:43])[C:11]([C:13]2([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[C:16]([H:38])([H:39])[H:40])[H:44])[C:1]#[N:18]', inchi_key='CBCLYNCDROLTJV-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18437779', cmiles='[H:25][c:2]1[c:3]([c:6](=[O:22])[n:19]([c:5]([c:4]1[C:8](=[O:24])[N:21]2[C:14]([C@@:15]3([C:7](=[O:23])[N:20]([C:12]([C:9]([C:10]3([H:28])[H:29])([H:26])[H:27])([H:32])[H:33])[C:17]([H:41])([H:42])[H:43])[C:11]([C:13]2([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[C:16]([H:38])([H:39])[H:40])[H:44])[C:1]#[N:18]', inchi_key='CBCLYNCDROLTJV-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18437780', cmiles='[H:25][c:2]1[c:3]([c:6](=[O:22])[n:19]([c:5]([c:4]1[C:8](=[O:24])[N:21]2[C:14]([C@@:15]3([C:7](=[O:23])[N:20]([C:12]([C:9]([C:10]3([H:28])[H:29])([H:26])[H:27])([H:32])[H:33])[C:17]([H:41])([H:42])[H:43])[C:11]([C:13]2([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[C:16]([H:38])([H:39])[H:40])[H:44])[C:1]#[N:18]', inchi_key='CBCLYNCDROLTJV-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18437781', cmiles='[H:21][c:2]1[c:3]([c:7]([c:5]([c:9]([c:4]1[H:23])/[N:16]=[N:17]/[c:10]2[c:8]([c:6]([c:11](=[O:19])[n:18]([c:12]2[O:20][H:32])[H:31])[C:1]#[N:15])[C:14]([H:28])([H:29])[H:30])[H:24])[C:13]([H:25])([H:26])[H:27])[H:22]', inchi_key='PSTXMNJURSNPTF-ISLYRVAYSA-N'), OptimizationResult(type='optimization', record_id='18437782', cmiles='[H:21][c:2]1[c:3]([c:7]([c:5]([c:9]([c:4]1[H:23])/[N:16]=[N:17]/[c:10]2[c:8]([c:6]([c:11](=[O:19])[n:18]([c:12]2[O:20][H:32])[H:31])[C:1]#[N:15])[C:14]([H:28])([H:29])[H:30])[H:24])[C:13]([H:25])([H:26])[H:27])[H:22]', inchi_key='PSTXMNJURSNPTF-ISLYRVAYSA-N'), OptimizationResult(type='optimization', record_id='18437783', cmiles='[H:21][c:2]1[c:3]([c:7]([c:5]([c:9]([c:4]1[H:23])/[N:16]=[N:17]/[c:10]2[c:8]([c:6]([c:11](=[O:19])[n:18]([c:12]2[O:20][H:32])[H:31])[C:1]#[N:15])[C:14]([H:28])([H:29])[H:30])[H:24])[C:13]([H:25])([H:26])[H:27])[H:22]', inchi_key='PSTXMNJURSNPTF-ISLYRVAYSA-N'), OptimizationResult(type='optimization', record_id='18437784', cmiles='[H:21][c:2]1[c:3]([c:7]([c:5]([c:9]([c:4]1[H:23])/[N:16]=[N:17]/[c:10]2[c:8]([c:6]([c:11](=[O:19])[n:18]([c:12]2[O:20][H:32])[H:31])[C:1]#[N:15])[C:14]([H:28])([H:29])[H:30])[H:24])[C:13]([H:25])([H:26])[H:27])[H:22]', inchi_key='PSTXMNJURSNPTF-ISLYRVAYSA-N'), OptimizationResult(type='optimization', record_id='18437785', cmiles='[H:13][c:2]1[c:3]([c:5]([n:11][c:6]([c:4]1[H:15])[Br:12])[C:9]2([C:7]([C:8]2([H:18])[H:19])([H:16])[H:17])[C:1]#[N:10])[H:14]', inchi_key='UNCKVSPYCDOOSJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437786', cmiles='[H:13][c:2]1[c:3]([c:5]([n:11][c:6]([c:4]1[H:15])[Br:12])[C:9]2([C:7]([C:8]2([H:18])[H:19])([H:16])[H:17])[C:1]#[N:10])[H:14]', inchi_key='UNCKVSPYCDOOSJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437787', cmiles='[H:13][c:2]1[c:3]([c:5]([n:11][c:6]([c:4]1[H:15])[Br:12])[C:9]2([C:7]([C:8]2([H:18])[H:19])([H:16])[H:17])[C:1]#[N:10])[H:14]', inchi_key='UNCKVSPYCDOOSJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437788', cmiles='[H:13][c:2]1[c:3]([c:5]([n:11][c:6]([c:4]1[H:15])[Br:12])[C:9]2([C:7]([C:8]2([H:18])[H:19])([H:16])[H:17])[C:1]#[N:10])[H:14]', inchi_key='UNCKVSPYCDOOSJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437789', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437790', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437791', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437792', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437793', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437794', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437795', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437796', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437797', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437798', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437799', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437800', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437801', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437802', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437803', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437804', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437805', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437806', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437807', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437808', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437809', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437810', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437811', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437812', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437813', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437814', cmiles='[H:22][c:2]1[c:3]([c:10]([c:4]([c:7]2[c:9]1[n:18]([c:5]([c:8]2/[C:13](=[N:17]\\[N:19]([H:31])[c:11]3[c:6]([n:16][c:12]([o:20]3)[C:14]([H:27])([H:28])[H:29])[C:1]#[N:15])/[H:26])[H:25])[H:30])[H:24])[Br:21])[H:23]', inchi_key='AYUQYKNCUUMOLH-WSVATBPTSA-N'), OptimizationResult(type='optimization', record_id='18437815', cmiles='[H:22][c:2]1[c:4]([c:10]([c:5]([c:3]([c:7]1/[C:13](=[N:16]\\[N:17]([H:27])[c:11]2[c:9]([c:8]([c:6]([c:12]([n:15]2)[Cl:20])[C:1]#[N:14])[Cl:18])[Cl:19])/[H:26])[H:23])[H:25])[Br:21])[H:24]', inchi_key='UZPOPDRNJBNUPP-SWNXQHNESA-N'), OptimizationResult(type='optimization', record_id='18437816', cmiles='[H:22][c:2]1[c:4]([c:10]([c:5]([c:3]([c:7]1/[C:13](=[N:16]\\[N:17]([H:27])[c:11]2[c:9]([c:8]([c:6]([c:12]([n:15]2)[Cl:20])[C:1]#[N:14])[Cl:18])[Cl:19])/[H:26])[H:23])[H:25])[Br:21])[H:24]', inchi_key='UZPOPDRNJBNUPP-SWNXQHNESA-N'), OptimizationResult(type='optimization', record_id='18437817', cmiles='[H:22][c:2]1[c:4]([c:10]([c:5]([c:3]([c:7]1/[C:13](=[N:16]\\[N:17]([H:27])[c:11]2[c:9]([c:8]([c:6]([c:12]([n:15]2)[Cl:20])[C:1]#[N:14])[Cl:18])[Cl:19])/[H:26])[H:23])[H:25])[Br:21])[H:24]', inchi_key='UZPOPDRNJBNUPP-SWNXQHNESA-N'), OptimizationResult(type='optimization', record_id='18437818', cmiles='[H:22][c:2]1[c:4]([c:10]([c:5]([c:3]([c:7]1/[C:13](=[N:16]\\[N:17]([H:27])[c:11]2[c:9]([c:8]([c:6]([c:12]([n:15]2)[Cl:20])[C:1]#[N:14])[Cl:18])[Cl:19])/[H:26])[H:23])[H:25])[Br:21])[H:24]', inchi_key='UZPOPDRNJBNUPP-SWNXQHNESA-N'), OptimizationResult(type='optimization', record_id='18437819', cmiles='[H:22][c:2]1[c:4]([c:10]([c:5]([c:3]([c:7]1/[C:13](=[N:16]\\[N:17]([H:27])[c:11]2[c:9]([c:8]([c:6]([c:12]([n:15]2)[Cl:20])[C:1]#[N:14])[Cl:18])[Cl:19])/[H:26])[H:23])[H:25])[Br:21])[H:24]', inchi_key='UZPOPDRNJBNUPP-SWNXQHNESA-N'), OptimizationResult(type='optimization', record_id='18437820', cmiles='[H:22][c:2]1[c:4]([c:10]([c:5]([c:3]([c:7]1/[C:13](=[N:16]\\[N:17]([H:27])[c:11]2[c:9]([c:8]([c:6]([c:12]([n:15]2)[Cl:20])[C:1]#[N:14])[Cl:18])[Cl:19])/[H:26])[H:23])[H:25])[Br:21])[H:24]', inchi_key='UZPOPDRNJBNUPP-SWNXQHNESA-N'), OptimizationResult(type='optimization', record_id='18437821', cmiles='[H:22][c:2]1[c:4]([c:10]([c:5]([c:3]([c:7]1/[C:13](=[N:16]\\[N:17]([H:27])[c:11]2[c:9]([c:8]([c:6]([c:12]([n:15]2)[Cl:20])[C:1]#[N:14])[Cl:18])[Cl:19])/[H:26])[H:23])[H:25])[Br:21])[H:24]', inchi_key='UZPOPDRNJBNUPP-SWNXQHNESA-N'), OptimizationResult(type='optimization', record_id='18437822', cmiles='[H:22][c:2]1[c:4]([c:10]([c:5]([c:3]([c:7]1/[C:13](=[N:16]\\[N:17]([H:27])[c:11]2[c:9]([c:8]([c:6]([c:12]([n:15]2)[Cl:20])[C:1]#[N:14])[Cl:18])[Cl:19])/[H:26])[H:23])[H:25])[Br:21])[H:24]', inchi_key='UZPOPDRNJBNUPP-SWNXQHNESA-N'), OptimizationResult(type='optimization', record_id='18437823', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:8]([c:4]1[H:24])[c:9]([c:6]([c:11]([n:18]2)[C:14]([H:27])([H:28])[H:29])[H:26])[C:16]([H:33])([H:34])[n:20]3[c:13]([c:7]([c:12]([n:19]3)[C:15]([H:30])([H:31])[H:32])[C:1]#[N:17])[N:21]([H:35])[H:36])[H:25])[H:23]', inchi_key='CRKOKSCFBIGVIC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437824', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:8]([c:4]1[H:24])[c:9]([c:6]([c:11]([n:18]2)[C:14]([H:27])([H:28])[H:29])[H:26])[C:16]([H:33])([H:34])[n:20]3[c:13]([c:7]([c:12]([n:19]3)[C:15]([H:30])([H:31])[H:32])[C:1]#[N:17])[N:21]([H:35])[H:36])[H:25])[H:23]', inchi_key='CRKOKSCFBIGVIC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437825', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:8]([c:4]1[H:24])[c:9]([c:6]([c:11]([n:18]2)[C:14]([H:27])([H:28])[H:29])[H:26])[C:16]([H:33])([H:34])[n:20]3[c:13]([c:7]([c:12]([n:19]3)[C:15]([H:30])([H:31])[H:32])[C:1]#[N:17])[N:21]([H:35])[H:36])[H:25])[H:23]', inchi_key='CRKOKSCFBIGVIC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437826', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:8]([c:4]1[H:24])[c:9]([c:6]([c:11]([n:18]2)[C:14]([H:27])([H:28])[H:29])[H:26])[C:16]([H:33])([H:34])[n:20]3[c:13]([c:7]([c:12]([n:19]3)[C:15]([H:30])([H:31])[H:32])[C:1]#[N:17])[N:21]([H:35])[H:36])[H:25])[H:23]', inchi_key='CRKOKSCFBIGVIC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437827', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:8]([c:4]1[H:24])[c:9]([c:6]([c:11]([n:18]2)[C:14]([H:27])([H:28])[H:29])[H:26])[C:16]([H:33])([H:34])[n:20]3[c:13]([c:7]([c:12]([n:19]3)[C:15]([H:30])([H:31])[H:32])[C:1]#[N:17])[N:21]([H:35])[H:36])[H:25])[H:23]', inchi_key='CRKOKSCFBIGVIC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437828', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:8]([c:4]1[H:24])[c:9]([c:6]([c:11]([n:18]2)[C:14]([H:27])([H:28])[H:29])[H:26])[C:16]([H:33])([H:34])[n:20]3[c:13]([c:7]([c:12]([n:19]3)[C:15]([H:30])([H:31])[H:32])[C:1]#[N:17])[N:21]([H:35])[H:36])[H:25])[H:23]', inchi_key='CRKOKSCFBIGVIC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437858', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:8]([c:4]1[H:24])[c:9]([c:6]([c:11]([n:18]2)[C:14]([H:27])([H:28])[H:29])[H:26])[C:16]([H:33])([H:34])[n:20]3[c:13]([c:7]([c:12]([n:19]3)[C:15]([H:30])([H:31])[H:32])[C:1]#[N:17])[N:21]([H:35])[H:36])[H:25])[H:23]', inchi_key='CRKOKSCFBIGVIC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437859', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:8]([c:4]1[H:24])[c:9]([c:6]([c:11]([n:18]2)[C:14]([H:27])([H:28])[H:29])[H:26])[C:16]([H:33])([H:34])[n:20]3[c:13]([c:7]([c:12]([n:19]3)[C:15]([H:30])([H:31])[H:32])[C:1]#[N:17])[N:21]([H:35])[H:36])[H:25])[H:23]', inchi_key='CRKOKSCFBIGVIC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437898', cmiles='[H:22][c:2]1[c:3]([c:5]([c:10]2[c:8]([c:4]1[H:24])[c:9]([c:6]([c:11]([n:18]2)[C:14]([H:27])([H:28])[H:29])[H:26])[C:16]([H:33])([H:34])[n:20]3[c:13]([c:7]([c:12]([n:19]3)[C:15]([H:30])([H:31])[H:32])[C:1]#[N:17])[N:21]([H:35])[H:36])[H:25])[H:23]', inchi_key='CRKOKSCFBIGVIC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437899', cmiles='[H:15][c:1]1[c:2]([c:4]([n:9][c:5]([c:3]1[Cl:12])[Cl:13])[C:8]([H:19])([H:20])[Br:14])[C:6](=[O:10])[O:11][C:7]([H:16])([H:17])[H:18]', inchi_key='HUVWNVSMCZUJCM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437900', cmiles='[H:15][c:1]1[c:2]([c:4]([n:9][c:5]([c:3]1[Cl:12])[Cl:13])[C:8]([H:19])([H:20])[Br:14])[C:6](=[O:10])[O:11][C:7]([H:16])([H:17])[H:18]', inchi_key='HUVWNVSMCZUJCM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437901', cmiles='[H:15][c:1]1[c:3]([c:5]2[c:4]([c:2]([c:6]1[Br:14])[H:16])[O:11][C:8]([O:12]2)([H:17])[H:18])[C:7](=[O:10])[O:13][C:9]([H:19])([H:20])[H:21]', inchi_key='LCYYWZCNOLIBQE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437902', cmiles='[H:15][c:1]1[c:3]([c:5]2[c:4]([c:2]([c:6]1[Br:14])[H:16])[O:11][C:8]([O:12]2)([H:17])[H:18])[C:7](=[O:10])[O:13][C:9]([H:19])([H:20])[H:21]', inchi_key='LCYYWZCNOLIBQE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437903', cmiles='[H:18][c:1]1[c:2]([c:6]2[c:4]([c:5]([n:14]([c:7]2[c:8]([c:3]1[H:20])[Br:17])[C:9](=[O:15])[O:16][C:13]([C:10]([H:23])([H:24])[H:25])([C:11]([H:26])([H:27])[H:28])[C:12]([H:29])([H:30])[H:31])[H:22])[H:21])[H:19]', inchi_key='QKTLZTNNVUGEOY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437904', cmiles='[H:18][c:1]1[c:2]([c:6]2[c:4]([c:5]([n:14]([c:7]2[c:8]([c:3]1[H:20])[Br:17])[C:9](=[O:15])[O:16][C:13]([C:10]([H:23])([H:24])[H:25])([C:11]([H:26])([H:27])[H:28])[C:12]([H:29])([H:30])[H:31])[H:22])[H:21])[H:19]', inchi_key='QKTLZTNNVUGEOY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437905', cmiles='[H:21][c:1]1[c:8]([c:15](=[O:18])[o:19][c:13]2[c:10]1[c:9]([c:12]([c:2]([c:5]2[H:25])[H:22])/[N:17]=[N:16]/[c:11]3[c:3]([c:6]([c:14]([c:7]([c:4]3[H:24])[H:27])[Br:20])[H:26])[H:23])[H:29])[H:28]', inchi_key='NBCALFBSXDQDOI-ISLYRVAYSA-N'), OptimizationResult(type='optimization', record_id='18437906', cmiles='[H:24][c:1]1[c:3]([c:2]([c:5](=[O:20])[n:17]([c:4]1[C:15]([H:38])([H:39])[H:40])[H:44])[C:7](=[O:22])[N:19]2[C:10]([C:8]([C:13]3([C:9]([C:11]2([H:31])[H:32])([H:27])[H:28])[C:12]([N:18]([C:6](=[O:21])[O:23]3)[C:16]([H:41])([H:42])[H:43])([H:33])[H:34])([H:25])[H:26])([H:29])[H:30])[C:14]([H:35])([H:36])[H:37]', inchi_key='IWFXAKREZFBWAL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437907', cmiles='[H:24][c:1]1[c:3]([c:2]([c:5](=[O:20])[n:17]([c:4]1[C:15]([H:38])([H:39])[H:40])[H:44])[C:7](=[O:22])[N:19]2[C:10]([C:8]([C:13]3([C:9]([C:11]2([H:31])[H:32])([H:27])[H:28])[C:12]([N:18]([C:6](=[O:21])[O:23]3)[C:16]([H:41])([H:42])[H:43])([H:33])[H:34])([H:25])[H:26])([H:29])[H:30])[C:14]([H:35])([H:36])[H:37]', inchi_key='IWFXAKREZFBWAL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437908', cmiles='[H:24][c:1]1[c:3]([c:2]([c:5](=[O:20])[n:17]([c:4]1[C:15]([H:38])([H:39])[H:40])[H:44])[C:7](=[O:22])[N:19]2[C:10]([C:8]([C:13]3([C:9]([C:11]2([H:31])[H:32])([H:27])[H:28])[C:12]([N:18]([C:6](=[O:21])[O:23]3)[C:16]([H:41])([H:42])[H:43])([H:33])[H:34])([H:25])[H:26])([H:29])[H:30])[C:14]([H:35])([H:36])[H:37]', inchi_key='IWFXAKREZFBWAL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437909', cmiles='[H:24][c:1]1[c:3]([c:2]([c:5](=[O:20])[n:17]([c:4]1[C:15]([H:38])([H:39])[H:40])[H:44])[C:7](=[O:22])[N:19]2[C:10]([C:8]([C:13]3([C:9]([C:11]2([H:31])[H:32])([H:27])[H:28])[C:12]([N:18]([C:6](=[O:21])[O:23]3)[C:16]([H:41])([H:42])[H:43])([H:33])[H:34])([H:25])[H:26])([H:29])[H:30])[C:14]([H:35])([H:36])[H:37]', inchi_key='IWFXAKREZFBWAL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437910', cmiles='[H:24][c:1]1[c:3]([c:2]([c:5](=[O:20])[n:17]([c:4]1[C:15]([H:38])([H:39])[H:40])[H:44])[C:7](=[O:22])[N:19]2[C:10]([C:8]([C:13]3([C:9]([C:11]2([H:31])[H:32])([H:27])[H:28])[C:12]([N:18]([C:6](=[O:21])[O:23]3)[C:16]([H:41])([H:42])[H:43])([H:33])[H:34])([H:25])[H:26])([H:29])[H:30])[C:14]([H:35])([H:36])[H:37]', inchi_key='IWFXAKREZFBWAL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437911', cmiles='[H:24][c:1]1[c:3]([c:2]([c:5](=[O:20])[n:17]([c:4]1[C:15]([H:38])([H:39])[H:40])[H:44])[C:7](=[O:22])[N:19]2[C:10]([C:8]([C:13]3([C:9]([C:11]2([H:31])[H:32])([H:27])[H:28])[C:12]([N:18]([C:6](=[O:21])[O:23]3)[C:16]([H:41])([H:42])[H:43])([H:33])[H:34])([H:25])[H:26])([H:29])[H:30])[C:14]([H:35])([H:36])[H:37]', inchi_key='IWFXAKREZFBWAL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437912', cmiles='[H:24][c:1]1[c:3]([c:2]([c:5](=[O:20])[n:17]([c:4]1[C:15]([H:38])([H:39])[H:40])[H:44])[C:7](=[O:22])[N:19]2[C:10]([C:8]([C:13]3([C:9]([C:11]2([H:31])[H:32])([H:27])[H:28])[C:12]([N:18]([C:6](=[O:21])[O:23]3)[C:16]([H:41])([H:42])[H:43])([H:33])[H:34])([H:25])[H:26])([H:29])[H:30])[C:14]([H:35])([H:36])[H:37]', inchi_key='IWFXAKREZFBWAL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437913', cmiles='[H:24][c:1]1[c:3]([c:2]([c:5](=[O:20])[n:17]([c:4]1[C:15]([H:38])([H:39])[H:40])[H:44])[C:7](=[O:22])[N:19]2[C:10]([C:8]([C:13]3([C:9]([C:11]2([H:31])[H:32])([H:27])[H:28])[C:12]([N:18]([C:6](=[O:21])[O:23]3)[C:16]([H:41])([H:42])[H:43])([H:33])[H:34])([H:25])[H:26])([H:29])[H:30])[C:14]([H:35])([H:36])[H:37]', inchi_key='IWFXAKREZFBWAL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437914', cmiles='[H:24][c:1]1[c:3]([c:2]([c:5](=[O:20])[n:17]([c:4]1[C:15]([H:38])([H:39])[H:40])[H:44])[C:7](=[O:22])[N:19]2[C:10]([C:8]([C:13]3([C:9]([C:11]2([H:31])[H:32])([H:27])[H:28])[C:12]([N:18]([C:6](=[O:21])[O:23]3)[C:16]([H:41])([H:42])[H:43])([H:33])[H:34])([H:25])[H:26])([H:29])[H:30])[C:14]([H:35])([H:36])[H:37]', inchi_key='IWFXAKREZFBWAL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437915', cmiles='[H:24][c:1]1[c:3]([c:2]([c:5](=[O:20])[n:17]([c:4]1[C:15]([H:38])([H:39])[H:40])[H:44])[C:7](=[O:22])[N:19]2[C:10]([C:8]([C:13]3([C:9]([C:11]2([H:31])[H:32])([H:27])[H:28])[C:12]([N:18]([C:6](=[O:21])[O:23]3)[C:16]([H:41])([H:42])[H:43])([H:33])[H:34])([H:25])[H:26])([H:29])[H:30])[C:14]([H:35])([H:36])[H:37]', inchi_key='IWFXAKREZFBWAL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437916', cmiles='[H:24][c:1]1[c:3]([c:2]([c:5](=[O:20])[n:17]([c:4]1[C:15]([H:38])([H:39])[H:40])[H:44])[C:7](=[O:22])[N:19]2[C:10]([C:8]([C:13]3([C:9]([C:11]2([H:31])[H:32])([H:27])[H:28])[C:12]([N:18]([C:6](=[O:21])[O:23]3)[C:16]([H:41])([H:42])[H:43])([H:33])[H:34])([H:25])[H:26])([H:29])[H:30])[C:14]([H:35])([H:36])[H:37]', inchi_key='IWFXAKREZFBWAL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437917', cmiles='[H:24][c:1]1[c:3]([c:2]([c:5](=[O:20])[n:17]([c:4]1[C:15]([H:38])([H:39])[H:40])[H:44])[C:7](=[O:22])[N:19]2[C:10]([C:8]([C:13]3([C:9]([C:11]2([H:31])[H:32])([H:27])[H:28])[C:12]([N:18]([C:6](=[O:21])[O:23]3)[C:16]([H:41])([H:42])[H:43])([H:33])[H:34])([H:25])[H:26])([H:29])[H:30])[C:14]([H:35])([H:36])[H:37]', inchi_key='IWFXAKREZFBWAL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437918', cmiles='[H:24][c:1]1[c:3]([c:2]([c:5](=[O:20])[n:17]([c:4]1[C:15]([H:38])([H:39])[H:40])[H:44])[C:7](=[O:22])[N:19]2[C:10]([C:8]([C:13]3([C:9]([C:11]2([H:31])[H:32])([H:27])[H:28])[C:12]([N:18]([C:6](=[O:21])[O:23]3)[C:16]([H:41])([H:42])[H:43])([H:33])[H:34])([H:25])[H:26])([H:29])[H:30])[C:14]([H:35])([H:36])[H:37]', inchi_key='IWFXAKREZFBWAL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437919', cmiles='[H:24][c:1]1[c:3]([c:2]([c:5](=[O:20])[n:17]([c:4]1[C:15]([H:38])([H:39])[H:40])[H:44])[C:7](=[O:22])[N:19]2[C:10]([C:8]([C:13]3([C:9]([C:11]2([H:31])[H:32])([H:27])[H:28])[C:12]([N:18]([C:6](=[O:21])[O:23]3)[C:16]([H:41])([H:42])[H:43])([H:33])[H:34])([H:25])[H:26])([H:29])[H:30])[C:14]([H:35])([H:36])[H:37]', inchi_key='IWFXAKREZFBWAL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437920', cmiles='[H:18][C:2]1([C:3]([C:5]([C:9]2([C:4]1([H:22])[H:23])[C:8]([N:14]([C:6]([C:7]([N:15]2[C:1](=[O:16])[O:17][C:13]([C:10]([H:32])([H:33])[H:34])([C:11]([H:35])([H:36])[H:37])[C:12]([H:38])([H:39])[H:40])([H:28])[H:29])([H:26])[H:27])[H:41])([H:30])[H:31])([H:24])[H:25])([H:20])[H:21])[H:19]', inchi_key='ZFRIOZGQSDKGRT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437921', cmiles='[H:18][C:2]1([C:3]([C:5]([C:9]2([C:4]1([H:22])[H:23])[C:8]([N:14]([C:6]([C:7]([N:15]2[C:1](=[O:16])[O:17][C:13]([C:10]([H:32])([H:33])[H:34])([C:11]([H:35])([H:36])[H:37])[C:12]([H:38])([H:39])[H:40])([H:28])[H:29])([H:26])[H:27])[H:41])([H:30])[H:31])([H:24])[H:25])([H:20])[H:21])[H:19]', inchi_key='ZFRIOZGQSDKGRT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437922', cmiles='[H:18][C:2]1([C:3]([C:5]([C:9]2([C:4]1([H:22])[H:23])[C:8]([N:14]([C:6]([C:7]([N:15]2[C:1](=[O:16])[O:17][C:13]([C:10]([H:32])([H:33])[H:34])([C:11]([H:35])([H:36])[H:37])[C:12]([H:38])([H:39])[H:40])([H:28])[H:29])([H:26])[H:27])[H:41])([H:30])[H:31])([H:24])[H:25])([H:20])[H:21])[H:19]', inchi_key='ZFRIOZGQSDKGRT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437923', cmiles='[H:18][C:2]1([C:3]([C:5]([C:9]2([C:4]1([H:22])[H:23])[C:8]([N:14]([C:6]([C:7]([N:15]2[C:1](=[O:16])[O:17][C:13]([C:10]([H:32])([H:33])[H:34])([C:11]([H:35])([H:36])[H:37])[C:12]([H:38])([H:39])[H:40])([H:28])[H:29])([H:26])[H:27])[H:41])([H:30])[H:31])([H:24])[H:25])([H:20])[H:21])[H:19]', inchi_key='ZFRIOZGQSDKGRT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437924', cmiles='[H:18][C:2]1([C:3]([C:5]([C:9]2([C:4]1([H:22])[H:23])[C:8]([N:14]([C:6]([C:7]([N:15]2[C:1](=[O:16])[O:17][C:13]([C:10]([H:32])([H:33])[H:34])([C:11]([H:35])([H:36])[H:37])[C:12]([H:38])([H:39])[H:40])([H:28])[H:29])([H:26])[H:27])[H:41])([H:30])[H:31])([H:24])[H:25])([H:20])[H:21])[H:19]', inchi_key='ZFRIOZGQSDKGRT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437925', cmiles='[H:18][C:2]1([C:3]([C:5]([C:9]2([C:4]1([H:22])[H:23])[C:8]([N:14]([C:6]([C:7]([N:15]2[C:1](=[O:16])[O:17][C:13]([C:10]([H:32])([H:33])[H:34])([C:11]([H:35])([H:36])[H:37])[C:12]([H:38])([H:39])[H:40])([H:28])[H:29])([H:26])[H:27])[H:41])([H:30])[H:31])([H:24])[H:25])([H:20])[H:21])[H:19]', inchi_key='ZFRIOZGQSDKGRT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437926', cmiles='[H:15][c:2]1[c:4]([c:3]([c:7]([c:6]([c:5]1[N+:10](=[O:12])[O-:11])[O:13][C:8]([H:17])([H:18])[H:19])[F:14])[H:16])[C:1]#[N:9]', inchi_key='FJTDBKZTKOLNDJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437927', cmiles='[H:26][c:2]1[c:3]([c:5]([c:10]([c:6]([c:4]1[H:28])[H:30])[n:23]2[c:14]([c:8]([c:12]([n:21]2)[C:19]([H:38])([H:39])[H:40])/[C:15](=[N:22]\\[c:13]3[c:7]([c:9]4[c:11]([s:24]3)[C:17]([C:18]([C:16]4([H:32])[H:33])([H:36])[H:37])([H:34])[H:35])[C:1]#[N:20])/[H:31])[Cl:25])[H:29])[H:27]', inchi_key='ZMNUVZYXHGBFHZ-JJFYIABZSA-N'), OptimizationResult(type='optimization', record_id='18437928', cmiles='[H:26][c:2]1[c:3]([c:5]([c:10]([c:6]([c:4]1[H:28])[H:30])[n:23]2[c:14]([c:8]([c:12]([n:21]2)[C:19]([H:38])([H:39])[H:40])/[C:15](=[N:22]\\[c:13]3[c:7]([c:9]4[c:11]([s:24]3)[C:17]([C:18]([C:16]4([H:32])[H:33])([H:36])[H:37])([H:34])[H:35])[C:1]#[N:20])/[H:31])[Cl:25])[H:29])[H:27]', inchi_key='ZMNUVZYXHGBFHZ-JJFYIABZSA-N'), OptimizationResult(type='optimization', record_id='18437929', cmiles='[H:26][c:2]1[c:3]([c:5]([c:10]([c:6]([c:4]1[H:28])[H:30])[n:23]2[c:14]([c:8]([c:12]([n:21]2)[C:19]([H:38])([H:39])[H:40])/[C:15](=[N:22]\\[c:13]3[c:7]([c:9]4[c:11]([s:24]3)[C:17]([C:18]([C:16]4([H:32])[H:33])([H:36])[H:37])([H:34])[H:35])[C:1]#[N:20])/[H:31])[Cl:25])[H:29])[H:27]', inchi_key='ZMNUVZYXHGBFHZ-JJFYIABZSA-N'), OptimizationResult(type='optimization', record_id='18437930', cmiles='[H:26][c:2]1[c:3]([c:5]([c:10]([c:6]([c:4]1[H:28])[H:30])[n:23]2[c:14]([c:8]([c:12]([n:21]2)[C:19]([H:38])([H:39])[H:40])/[C:15](=[N:22]\\[c:13]3[c:7]([c:9]4[c:11]([s:24]3)[C:17]([C:18]([C:16]4([H:32])[H:33])([H:36])[H:37])([H:34])[H:35])[C:1]#[N:20])/[H:31])[Cl:25])[H:29])[H:27]', inchi_key='ZMNUVZYXHGBFHZ-JJFYIABZSA-N'), OptimizationResult(type='optimization', record_id='18437931', cmiles='[H:14][c:2]1[c:3]([c:7]([c:4]([c:6]([c:5]1[O:11][C:9]([H:19])([H:20])[C:8]([H:17])([H:18])[C:1]#[N:10])[F:12])[H:16])[Cl:13])[H:15]', inchi_key='YYMSBFOYQOXXRN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437932', cmiles='[H:14][c:2]1[c:3]([c:7]([c:4]([c:6]([c:5]1[O:11][C:9]([H:19])([H:20])[C:8]([H:17])([H:18])[C:1]#[N:10])[F:12])[H:16])[Cl:13])[H:15]', inchi_key='YYMSBFOYQOXXRN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437933', cmiles='[H:14][c:2]1[c:3]([c:7]([c:4]([c:6]([c:5]1[O:11][C:9]([H:19])([H:20])[C:8]([H:17])([H:18])[C:1]#[N:10])[F:12])[H:16])[Cl:13])[H:15]', inchi_key='YYMSBFOYQOXXRN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437934', cmiles='[H:14][c:2]1[c:3]([c:7]([c:4]([c:6]([c:5]1[O:11][C:9]([H:19])([H:20])[C:8]([H:17])([H:18])[C:1]#[N:10])[F:12])[H:16])[Cl:13])[H:15]', inchi_key='YYMSBFOYQOXXRN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437935', cmiles='[H:14][c:2]1[c:3]([c:7]([c:4]([c:6]([c:5]1[O:11][C:9]([H:19])([H:20])[C:8]([H:17])([H:18])[C:1]#[N:10])[F:12])[H:16])[Cl:13])[H:15]', inchi_key='YYMSBFOYQOXXRN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437936', cmiles='[H:14][c:2]1[c:3]([c:7]([c:4]([c:6]([c:5]1[O:11][C:9]([H:19])([H:20])[C:8]([H:17])([H:18])[C:1]#[N:10])[F:12])[H:16])[Cl:13])[H:15]', inchi_key='YYMSBFOYQOXXRN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437937', cmiles='[H:14][c:2]1[c:3]([c:7]([c:4]([c:5]([c:6]1[C:8](=[O:11])[O:12][C:9]([H:17])([H:18])[H:19])[C:1]#[N:10])[H:16])[Br:13])[H:15]', inchi_key='APAVVMSHHACFQV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437938', cmiles='[H:14][c:2]1[c:3]([c:7]([c:4]([c:5]([c:6]1[C:8](=[O:11])[O:12][C:9]([H:17])([H:18])[H:19])[C:1]#[N:10])[H:16])[Br:13])[H:15]', inchi_key='APAVVMSHHACFQV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437939', cmiles='[H:22][c:2]1[c:4]([c:9]([c:5]([c:3]([c:7]1[C:13]([H:26])([H:27])[H:28])[H:23])[H:25])/[N:17]=[N:18]/[c:10]2[c:8]([c:6]([c:11](=[O:20])[n:19]([c:12]2[O:21][H:35])[C:15]([H:32])([H:33])[H:34])[C:1]#[N:16])[C:14]([H:29])([H:30])[H:31])[H:24]', inchi_key='PCGMMJGFYYSNKW-ISLYRVAYSA-N'), OptimizationResult(type='optimization', record_id='18437940', cmiles='[H:17][c:2]1[c:3]([c:7]([c:4]([c:5]([c:6]1[Cl:15])[N:13]([H:26])[C:8](=[O:14])[C:11]([C:1]#[N:12])([C:9]([H:20])([H:21])[H:22])[C:10]([H:23])([H:24])[H:25])[H:19])[I:16])[H:18]', inchi_key='RXFVDJZELUAYGV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437941', cmiles='[H:17][c:2]1[c:3]([c:7]([c:4]([c:5]([c:6]1[Cl:15])[N:13]([H:26])[C:8](=[O:14])[C:11]([C:1]#[N:12])([C:9]([H:20])([H:21])[H:22])[C:10]([H:23])([H:24])[H:25])[H:19])[I:16])[H:18]', inchi_key='RXFVDJZELUAYGV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437942', cmiles='[H:17][c:2]1[c:3]([c:7]([c:4]([c:5]([c:6]1[Cl:15])[N:13]([H:26])[C:8](=[O:14])[C:11]([C:1]#[N:12])([C:9]([H:20])([H:21])[H:22])[C:10]([H:23])([H:24])[H:25])[H:19])[I:16])[H:18]', inchi_key='RXFVDJZELUAYGV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437943', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[C:16]([H:37])([H:38])[H:39])[H:24])[H:26])[N:22]([H:40])/[N:20]=[C:10](/[C:1]#[N:17])\\[c:8]2[n:18][n:19][c:9]3[n:21]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:25]', inchi_key='GCFYHIBFHKAVSY-RGEXLXHISA-N'), OptimizationResult(type='optimization', record_id='18437944', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[C:16]([H:37])([H:38])[H:39])[H:24])[H:26])[N:22]([H:40])/[N:20]=[C:10](/[C:1]#[N:17])\\[c:8]2[n:18][n:19][c:9]3[n:21]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:25]', inchi_key='GCFYHIBFHKAVSY-RGEXLXHISA-N'), OptimizationResult(type='optimization', record_id='18437945', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[C:16]([H:37])([H:38])[H:39])[H:24])[H:26])[N:22]([H:40])/[N:20]=[C:10](/[C:1]#[N:17])\\[c:8]2[n:18][n:19][c:9]3[n:21]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:25]', inchi_key='GCFYHIBFHKAVSY-RGEXLXHISA-N'), OptimizationResult(type='optimization', record_id='18437946', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[C:16]([H:37])([H:38])[H:39])[H:24])[H:26])[N:22]([H:40])/[N:20]=[C:10](/[C:1]#[N:17])\\[c:8]2[n:18][n:19][c:9]3[n:21]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:25]', inchi_key='GCFYHIBFHKAVSY-RGEXLXHISA-N'), OptimizationResult(type='optimization', record_id='18437947', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[C:16]([H:37])([H:38])[H:39])[H:24])[H:26])[N:22]([H:40])/[N:20]=[C:10](/[C:1]#[N:17])\\[c:8]2[n:18][n:19][c:9]3[n:21]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:25]', inchi_key='GCFYHIBFHKAVSY-RGEXLXHISA-N'), OptimizationResult(type='optimization', record_id='18437948', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[C:16]([H:37])([H:38])[H:39])[H:24])[H:26])[N:22]([H:40])/[N:20]=[C:10](/[C:1]#[N:17])\\[c:8]2[n:18][n:19][c:9]3[n:21]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:25]', inchi_key='GCFYHIBFHKAVSY-RGEXLXHISA-N'), OptimizationResult(type='optimization', record_id='18437949', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[C:16]([H:37])([H:38])[H:39])[H:24])[H:26])[N:22]([H:40])/[N:20]=[C:10](/[C:1]#[N:17])\\[c:8]2[n:18][n:19][c:9]3[n:21]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:25]', inchi_key='GCFYHIBFHKAVSY-RGEXLXHISA-N'), OptimizationResult(type='optimization', record_id='18437950', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[C:16]([H:37])([H:38])[H:39])[H:24])[H:26])[N:22]([H:40])/[N:20]=[C:10](/[C:1]#[N:17])\\[c:8]2[n:18][n:19][c:9]3[n:21]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:25]', inchi_key='GCFYHIBFHKAVSY-RGEXLXHISA-N'), OptimizationResult(type='optimization', record_id='18437951', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[C:16]([H:37])([H:38])[H:39])[H:24])[H:26])[N:22]([H:40])/[N:20]=[C:10](/[C:1]#[N:17])\\[c:8]2[n:18][n:19][c:9]3[n:21]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:25]', inchi_key='GCFYHIBFHKAVSY-RGEXLXHISA-N'), OptimizationResult(type='optimization', record_id='18437952', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[C:16]([H:37])([H:38])[H:39])[H:24])[H:26])[N:22]([H:40])/[N:20]=[C:10](/[C:1]#[N:17])\\[c:8]2[n:18][n:19][c:9]3[n:21]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:25]', inchi_key='GCFYHIBFHKAVSY-RGEXLXHISA-N'), OptimizationResult(type='optimization', record_id='18437953', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[C:16]([H:37])([H:38])[H:39])[H:24])[H:26])[N:22]([H:40])/[N:20]=[C:10](/[C:1]#[N:17])\\[c:8]2[n:18][n:19][c:9]3[n:21]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:25]', inchi_key='GCFYHIBFHKAVSY-RGEXLXHISA-N'), OptimizationResult(type='optimization', record_id='18437954', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[C:16]([H:37])([H:38])[H:39])[H:24])[H:26])[N:22]([H:40])/[N:20]=[C:10](/[C:1]#[N:17])\\[c:8]2[n:18][n:19][c:9]3[n:21]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:25]', inchi_key='GCFYHIBFHKAVSY-RGEXLXHISA-N'), OptimizationResult(type='optimization', record_id='18437955', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[C:16]([H:37])([H:38])[H:39])[H:24])[H:26])[N:22]([H:40])/[N:20]=[C:10](/[C:1]#[N:17])\\[c:8]2[n:18][n:19][c:9]3[n:21]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:25]', inchi_key='GCFYHIBFHKAVSY-RGEXLXHISA-N'), OptimizationResult(type='optimization', record_id='18437956', cmiles='[H:23][c:2]1[c:4]([c:7]([c:5]([c:3]([c:6]1[C:16]([H:37])([H:38])[H:39])[H:24])[H:26])[N:22]([H:40])/[N:20]=[C:10](/[C:1]#[N:17])\\[c:8]2[n:18][n:19][c:9]3[n:21]2[C:15]([C:14]([C:13]([C:12]([C:11]3([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:25]', inchi_key='GCFYHIBFHKAVSY-RGEXLXHISA-N'), OptimizationResult(type='optimization', record_id='18437957', cmiles='[H:19][c:2]1[n:13][c:5]([c:4]([s:18]1)/[C:8](=[N:15]/[N:16]([H:29])[c:6]2[c:3]([n:14][c:7]([o:17]2)[C:10]([H:23])([H:24])[H:25])[C:1]#[N:12])/[C:11]([H:26])([H:27])[H:28])[C:9]([H:20])([H:21])[H:22]', inchi_key='PWHDQLXNHRNSAW-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18437958', cmiles='[H:19][c:2]1[n:13][c:5]([c:4]([s:18]1)/[C:8](=[N:15]/[N:16]([H:29])[c:6]2[c:3]([n:14][c:7]([o:17]2)[C:10]([H:23])([H:24])[H:25])[C:1]#[N:12])/[C:11]([H:26])([H:27])[H:28])[C:9]([H:20])([H:21])[H:22]', inchi_key='PWHDQLXNHRNSAW-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18437959', cmiles='[H:19][c:2]1[n:13][c:5]([c:4]([s:18]1)/[C:8](=[N:15]/[N:16]([H:29])[c:6]2[c:3]([n:14][c:7]([o:17]2)[C:10]([H:23])([H:24])[H:25])[C:1]#[N:12])/[C:11]([H:26])([H:27])[H:28])[C:9]([H:20])([H:21])[H:22]', inchi_key='PWHDQLXNHRNSAW-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18437960', cmiles='[H:19][c:2]1[n:13][c:5]([c:4]([s:18]1)/[C:8](=[N:15]/[N:16]([H:29])[c:6]2[c:3]([n:14][c:7]([o:17]2)[C:10]([H:23])([H:24])[H:25])[C:1]#[N:12])/[C:11]([H:26])([H:27])[H:28])[C:9]([H:20])([H:21])[H:22]', inchi_key='PWHDQLXNHRNSAW-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18437961', cmiles='[H:19][c:2]1[n:13][c:5]([c:4]([s:18]1)/[C:8](=[N:15]/[N:16]([H:29])[c:6]2[c:3]([n:14][c:7]([o:17]2)[C:10]([H:23])([H:24])[H:25])[C:1]#[N:12])/[C:11]([H:26])([H:27])[H:28])[C:9]([H:20])([H:21])[H:22]', inchi_key='PWHDQLXNHRNSAW-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18437962', cmiles='[H:19][c:2]1[n:13][c:5]([c:4]([s:18]1)/[C:8](=[N:15]/[N:16]([H:29])[c:6]2[c:3]([n:14][c:7]([o:17]2)[C:10]([H:23])([H:24])[H:25])[C:1]#[N:12])/[C:11]([H:26])([H:27])[H:28])[C:9]([H:20])([H:21])[H:22]', inchi_key='PWHDQLXNHRNSAW-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18437963', cmiles='[H:19][c:2]1[n:13][c:5]([c:4]([s:18]1)/[C:8](=[N:15]/[N:16]([H:29])[c:6]2[c:3]([n:14][c:7]([o:17]2)[C:10]([H:23])([H:24])[H:25])[C:1]#[N:12])/[C:11]([H:26])([H:27])[H:28])[C:9]([H:20])([H:21])[H:22]', inchi_key='PWHDQLXNHRNSAW-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18437964', cmiles='[H:19][c:2]1[n:13][c:5]([c:4]([s:18]1)/[C:8](=[N:15]/[N:16]([H:29])[c:6]2[c:3]([n:14][c:7]([o:17]2)[C:10]([H:23])([H:24])[H:25])[C:1]#[N:12])/[C:11]([H:26])([H:27])[H:28])[C:9]([H:20])([H:21])[H:22]', inchi_key='PWHDQLXNHRNSAW-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18437965', cmiles='[H:19][c:2]1[n:13][c:5]([c:4]([s:18]1)/[C:8](=[N:15]/[N:16]([H:29])[c:6]2[c:3]([n:14][c:7]([o:17]2)[C:10]([H:23])([H:24])[H:25])[C:1]#[N:12])/[C:11]([H:26])([H:27])[H:28])[C:9]([H:20])([H:21])[H:22]', inchi_key='PWHDQLXNHRNSAW-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18437966', cmiles='[H:19][c:2]1[n:13][c:5]([c:4]([s:18]1)/[C:8](=[N:15]/[N:16]([H:29])[c:6]2[c:3]([n:14][c:7]([o:17]2)[C:10]([H:23])([H:24])[H:25])[C:1]#[N:12])/[C:11]([H:26])([H:27])[H:28])[C:9]([H:20])([H:21])[H:22]', inchi_key='PWHDQLXNHRNSAW-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18437967', cmiles='[H:19][c:2]1[n:13][c:5]([c:4]([s:18]1)/[C:8](=[N:15]/[N:16]([H:29])[c:6]2[c:3]([n:14][c:7]([o:17]2)[C:10]([H:23])([H:24])[H:25])[C:1]#[N:12])/[C:11]([H:26])([H:27])[H:28])[C:9]([H:20])([H:21])[H:22]', inchi_key='PWHDQLXNHRNSAW-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18437968', cmiles='[H:19][c:2]1[n:13][c:5]([c:4]([s:18]1)/[C:8](=[N:15]/[N:16]([H:29])[c:6]2[c:3]([n:14][c:7]([o:17]2)[C:10]([H:23])([H:24])[H:25])[C:1]#[N:12])/[C:11]([H:26])([H:27])[H:28])[C:9]([H:20])([H:21])[H:22]', inchi_key='PWHDQLXNHRNSAW-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18437969', cmiles='[H:19][c:2]1[n:13][c:5]([c:4]([s:18]1)/[C:8](=[N:15]/[N:16]([H:29])[c:6]2[c:3]([n:14][c:7]([o:17]2)[C:10]([H:23])([H:24])[H:25])[C:1]#[N:12])/[C:11]([H:26])([H:27])[H:28])[C:9]([H:20])([H:21])[H:22]', inchi_key='PWHDQLXNHRNSAW-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18437970', cmiles='[H:19][c:2]1[n:13][c:5]([c:4]([s:18]1)/[C:8](=[N:15]/[N:16]([H:29])[c:6]2[c:3]([n:14][c:7]([o:17]2)[C:10]([H:23])([H:24])[H:25])[C:1]#[N:12])/[C:11]([H:26])([H:27])[H:28])[C:9]([H:20])([H:21])[H:22]', inchi_key='PWHDQLXNHRNSAW-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18437971', cmiles='[H:19][c:2]1[n:13][c:5]([c:4]([s:18]1)/[C:8](=[N:15]/[N:16]([H:29])[c:6]2[c:3]([n:14][c:7]([o:17]2)[C:10]([H:23])([H:24])[H:25])[C:1]#[N:12])/[C:11]([H:26])([H:27])[H:28])[C:9]([H:20])([H:21])[H:22]', inchi_key='PWHDQLXNHRNSAW-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18437972', cmiles='[H:19][c:2]1[n:13][c:5]([c:4]([s:18]1)/[C:8](=[N:15]/[N:16]([H:29])[c:6]2[c:3]([n:14][c:7]([o:17]2)[C:10]([H:23])([H:24])[H:25])[C:1]#[N:12])/[C:11]([H:26])([H:27])[H:28])[C:9]([H:20])([H:21])[H:22]', inchi_key='PWHDQLXNHRNSAW-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18437973', cmiles='[H:20][c:2]1[c:4]([c:8]([c:5]([c:3]([c:7]1[C:1]#[N:15])[H:21])[H:23])/[C:12](=[N:18]/[N:19]([H:32])[c:11]2[n:16][c:9]([c:6]([c:10]([n:17]2)[C:14]([H:29])([H:30])[H:31])[H:24])[C:13]([H:26])([H:27])[H:28])/[H:25])[H:22]', inchi_key='JUQSTRULORDUJK-CXUHLZMHSA-N'), OptimizationResult(type='optimization', record_id='18437974', cmiles='[H:20][c:2]1[c:4]([c:8]([c:5]([c:3]([c:7]1[C:1]#[N:15])[H:21])[H:23])/[C:12](=[N:18]/[N:19]([H:32])[c:11]2[n:16][c:9]([c:6]([c:10]([n:17]2)[C:14]([H:29])([H:30])[H:31])[H:24])[C:13]([H:26])([H:27])[H:28])/[H:25])[H:22]', inchi_key='JUQSTRULORDUJK-CXUHLZMHSA-N'), OptimizationResult(type='optimization', record_id='18437975', cmiles='[H:20][c:2]1[c:4]([c:8]([c:5]([c:3]([c:7]1[C:1]#[N:15])[H:21])[H:23])/[C:12](=[N:18]/[N:19]([H:32])[c:11]2[n:16][c:9]([c:6]([c:10]([n:17]2)[C:14]([H:29])([H:30])[H:31])[H:24])[C:13]([H:26])([H:27])[H:28])/[H:25])[H:22]', inchi_key='JUQSTRULORDUJK-CXUHLZMHSA-N'), OptimizationResult(type='optimization', record_id='18437976', cmiles='[H:18][c:2]1[c:3]([c:7]([c:11]([c:10]([c:6]1[H:22])[C:1]#[N:15])[c:14]2[n:16][c:12]3[c:8]([c:4]([c:5]([c:9]([c:13]3[n:17]2[H:26])[H:25])[H:21])[H:20])[H:24])[H:23])[H:19]', inchi_key='QDFTUAOALSHOGT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437977', cmiles='[H:14][c:1]1[c:2]([c:5]([n:7][c:4]([c:3]1[N+:8](=[O:11])[O-:9])[C:6](=[O:10])[O:12][H:16])[Cl:13])[H:15]', inchi_key='MHDMSQFCLBRNES-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437978', cmiles='[H:14][c:1]1[c:2]([c:5]([n:7][c:4]([c:3]1[N+:8](=[O:11])[O-:9])[C:6](=[O:10])[O:12][H:16])[Cl:13])[H:15]', inchi_key='MHDMSQFCLBRNES-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437979', cmiles='[H:14][c:1]1[c:2]([c:5]([n:7][c:4]([c:3]1[N+:8](=[O:11])[O-:9])[C:6](=[O:10])[O:12][H:16])[Cl:13])[H:15]', inchi_key='MHDMSQFCLBRNES-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437980', cmiles='[H:17][c:1]1[c:2]([c:6]([c:8]([c:7]([c:5]1[C:10](=[O:12])[c:9]2[n:11][c:3]([c:4]([s:16]2)[H:20])[H:19])[F:14])[F:15])[F:13])[H:18]', inchi_key='NKNPQQIFIGZDJS-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437981', cmiles='[H:17][c:1]1[c:2]([c:6]([c:8]([c:7]([c:5]1[C:10](=[O:12])[c:9]2[n:11][c:3]([c:4]([s:16]2)[H:20])[H:19])[F:14])[F:15])[F:13])[H:18]', inchi_key='NKNPQQIFIGZDJS-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437982', cmiles='[H:17][c:1]1[c:2]([c:6]([c:8]([c:7]([c:5]1[C:10](=[O:12])[c:9]2[n:11][c:3]([c:4]([s:16]2)[H:20])[H:19])[F:14])[F:15])[F:13])[H:18]', inchi_key='NKNPQQIFIGZDJS-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437983', cmiles='[H:17][c:1]1[c:2]([c:6]([c:8]([c:7]([c:5]1[C:10](=[O:12])[c:9]2[n:11][c:3]([c:4]([s:16]2)[H:20])[H:19])[F:14])[F:15])[F:13])[H:18]', inchi_key='NKNPQQIFIGZDJS-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437984', cmiles='[H:17][c:1]1[c:2]([c:6]([c:8]([c:7]([c:5]1[C:10](=[O:12])[c:9]2[n:11][c:3]([c:4]([s:16]2)[H:20])[H:19])[F:14])[F:15])[F:13])[H:18]', inchi_key='NKNPQQIFIGZDJS-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437985', cmiles='[H:17][c:1]1[c:2]([c:6]([c:8]([c:7]([c:5]1[C:10](=[O:12])[c:9]2[n:11][c:3]([c:4]([s:16]2)[H:20])[H:19])[F:14])[F:15])[F:13])[H:18]', inchi_key='NKNPQQIFIGZDJS-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437986', cmiles='[H:17][c:1]1[c:2]([c:6]([c:8]([c:7]([c:5]1[C:10](=[O:12])[c:9]2[n:11][c:3]([c:4]([s:16]2)[H:20])[H:19])[F:14])[F:15])[F:13])[H:18]', inchi_key='NKNPQQIFIGZDJS-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437987', cmiles='[H:17][c:1]1[c:2]([c:6]([c:8]([c:7]([c:5]1[C:10](=[O:12])[c:9]2[n:11][c:3]([c:4]([s:16]2)[H:20])[H:19])[F:14])[F:15])[F:13])[H:18]', inchi_key='NKNPQQIFIGZDJS-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437988', cmiles='[H:12][c:1]1[c:3]([c:6]([c:4]([c:2]([c:5]1/[C:7](=[N:8]\\[O:10][H:18])/[N:9]([H:16])[H:17])[H:13])[H:15])[Br:11])[H:14]', inchi_key='KCHIZOZPSSURRB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437989', cmiles='[H:14][c:1]1[c:3]([c:2]([c:4]([c:5]([n:9]1)[Cl:13])[Cl:12])[C@:8]2([C:6]([C:7]([N:10]2[H:20])([H:17])[H:18])([H:15])[H:16])[H:19])[Cl:11]', inchi_key='SWYQIKPWYDXMNF-RXMQYKEDSA-N'), OptimizationResult(type='optimization', record_id='18437990', cmiles='[H:14][c:1]1[c:3]([c:2]([c:4]([c:5]([n:9]1)[Cl:13])[Cl:12])[C@:8]2([C:6]([C:7]([N:10]2[H:20])([H:17])[H:18])([H:15])[H:16])[H:19])[Cl:11]', inchi_key='SWYQIKPWYDXMNF-RXMQYKEDSA-N'), OptimizationResult(type='optimization', record_id='18437991', cmiles='[H:14][c:1]1[c:2]([c:3]([n:9][c:4]([n:8]1)[O:11][C:6]([H:15])([H:16])[H:17])[C:5](=[O:10])[O:12][C:7]([H:18])([H:19])[H:20])[Br:13]', inchi_key='SSCVAIBESXHRRL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437992', cmiles='[H:14][c:1]1[c:2]([c:3]([n:9][c:4]([n:8]1)[O:11][C:6]([H:15])([H:16])[H:17])[C:5](=[O:10])[O:12][C:7]([H:18])([H:19])[H:20])[Br:13]', inchi_key='SSCVAIBESXHRRL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437993', cmiles='[H:43][C@@:13]12[C@:15]([C:12]([N@:19]([C:9]([C:8]1([H:33])[H:34])([H:35])[H:36])[C:17]([H:47])([H:48])[H:49])([H:41])[H:42])([C:11]([N:18]([C:10]2([H:37])[H:38])[C:1](=[O:20])[C:14]3([C:6]([C:4]([C:3]([C:5]([C:7]3([H:31])[H:32])([H:27])[H:28])([H:23])[H:24])([H:25])[H:26])([H:29])[H:30])[C:16]([H:44])([H:45])[H:46])([H:39])[H:40])[C:2](=[O:21])[O:22][H:50]', inchi_key='HJYNTEVWPICQOB-DYVFJYSZSA-N'), OptimizationResult(type='optimization', record_id='18437994', cmiles='[H:43][C@@:13]12[C@:15]([C:12]([N@:19]([C:9]([C:8]1([H:33])[H:34])([H:35])[H:36])[C:17]([H:47])([H:48])[H:49])([H:41])[H:42])([C:11]([N:18]([C:10]2([H:37])[H:38])[C:1](=[O:20])[C:14]3([C:6]([C:4]([C:3]([C:5]([C:7]3([H:31])[H:32])([H:27])[H:28])([H:23])[H:24])([H:25])[H:26])([H:29])[H:30])[C:16]([H:44])([H:45])[H:46])([H:39])[H:40])[C:2](=[O:21])[O:22][H:50]', inchi_key='HJYNTEVWPICQOB-DYVFJYSZSA-N'), OptimizationResult(type='optimization', record_id='18437995', cmiles='[H:43][C@@:13]12[C@:15]([C:12]([N@:19]([C:9]([C:8]1([H:33])[H:34])([H:35])[H:36])[C:17]([H:47])([H:48])[H:49])([H:41])[H:42])([C:11]([N:18]([C:10]2([H:37])[H:38])[C:1](=[O:20])[C:14]3([C:6]([C:4]([C:3]([C:5]([C:7]3([H:31])[H:32])([H:27])[H:28])([H:23])[H:24])([H:25])[H:26])([H:29])[H:30])[C:16]([H:44])([H:45])[H:46])([H:39])[H:40])[C:2](=[O:21])[O:22][H:50]', inchi_key='HJYNTEVWPICQOB-DYVFJYSZSA-N'), OptimizationResult(type='optimization', record_id='18437996', cmiles='[H:43][C@@:13]12[C@:15]([C:12]([N@:19]([C:9]([C:8]1([H:33])[H:34])([H:35])[H:36])[C:17]([H:47])([H:48])[H:49])([H:41])[H:42])([C:11]([N:18]([C:10]2([H:37])[H:38])[C:1](=[O:20])[C:14]3([C:6]([C:4]([C:3]([C:5]([C:7]3([H:31])[H:32])([H:27])[H:28])([H:23])[H:24])([H:25])[H:26])([H:29])[H:30])[C:16]([H:44])([H:45])[H:46])([H:39])[H:40])[C:2](=[O:21])[O:22][H:50]', inchi_key='HJYNTEVWPICQOB-DYVFJYSZSA-N'), OptimizationResult(type='optimization', record_id='18437997', cmiles='[H:19][c:1]1[c:2]([c:5]2[c:6]([c:8]([c:3]1[H:21])[Br:18])[n:14]([c:4]([c:7]2[O:16][H:32])[H:22])[C:9](=[O:15])[O:17][C:13]([C:10]([H:23])([H:24])[H:25])([C:11]([H:26])([H:27])[H:28])[C:12]([H:29])([H:30])[H:31])[H:20]', inchi_key='NVGOTYUVLHTFSJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437998', cmiles='[H:19][c:1]1[c:2]([c:5]2[c:6]([c:8]([c:3]1[H:21])[Br:18])[n:14]([c:4]([c:7]2[O:16][H:32])[H:22])[C:9](=[O:15])[O:17][C:13]([C:10]([H:23])([H:24])[H:25])([C:11]([H:26])([H:27])[H:28])[C:12]([H:29])([H:30])[H:31])[H:20]', inchi_key='NVGOTYUVLHTFSJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18437999', cmiles='[H:15][c:1]1[c:2]([c:5]([s:13][c:3]1[H:17])/[C:8](=[N:11]\\[N:12]([H:23])[c:7]2[n:10][c:6]([c:4]([s:14]2)[H:18])[C:9]([H:20])([H:21])[H:22])/[H:19])[H:16]', inchi_key='GAHVWBBCLMJFJM-YHYXMXQVSA-N'), OptimizationResult(type='optimization', record_id='18438000', cmiles='[H:15][c:1]1[c:2]([c:5]([s:13][c:3]1[H:17])/[C:8](=[N:11]\\[N:12]([H:23])[c:7]2[n:10][c:6]([c:4]([s:14]2)[H:18])[C:9]([H:20])([H:21])[H:22])/[H:19])[H:16]', inchi_key='GAHVWBBCLMJFJM-YHYXMXQVSA-N'), OptimizationResult(type='optimization', record_id='18438001', cmiles='[H:15][c:1]1[c:2]([c:5]([s:13][c:3]1[H:17])/[C:8](=[N:11]\\[N:12]([H:23])[c:7]2[n:10][c:6]([c:4]([s:14]2)[H:18])[C:9]([H:20])([H:21])[H:22])/[H:19])[H:16]', inchi_key='GAHVWBBCLMJFJM-YHYXMXQVSA-N'), OptimizationResult(type='optimization', record_id='18438002', cmiles='[H:15][c:1]1[c:2]([c:5]([s:13][c:3]1[H:17])/[C:8](=[N:11]\\[N:12]([H:23])[c:7]2[n:10][c:6]([c:4]([s:14]2)[H:18])[C:9]([H:20])([H:21])[H:22])/[H:19])[H:16]', inchi_key='GAHVWBBCLMJFJM-YHYXMXQVSA-N'), OptimizationResult(type='optimization', record_id='18438003', cmiles='[H:15][c:1]1[c:2]([c:5]([s:13][c:3]1[H:17])/[C:8](=[N:11]\\[N:12]([H:23])[c:7]2[n:10][c:6]([c:4]([s:14]2)[H:18])[C:9]([H:20])([H:21])[H:22])/[H:19])[H:16]', inchi_key='GAHVWBBCLMJFJM-YHYXMXQVSA-N'), OptimizationResult(type='optimization', record_id='18438004', cmiles='[H:15][c:1]1[c:2]([c:5]([s:13][c:3]1[H:17])/[C:8](=[N:11]\\[N:12]([H:23])[c:7]2[n:10][c:6]([c:4]([s:14]2)[H:18])[C:9]([H:20])([H:21])[H:22])/[H:19])[H:16]', inchi_key='GAHVWBBCLMJFJM-YHYXMXQVSA-N'), OptimizationResult(type='optimization', record_id='18438005', cmiles='[H:15][c:1]1[c:2]([c:5]([s:13][c:3]1[H:17])/[C:8](=[N:11]\\[N:12]([H:23])[c:7]2[n:10][c:6]([c:4]([s:14]2)[H:18])[C:9]([H:20])([H:21])[H:22])/[H:19])[H:16]', inchi_key='GAHVWBBCLMJFJM-YHYXMXQVSA-N'), OptimizationResult(type='optimization', record_id='18438006', cmiles='[H:15][c:1]1[c:2]([c:5]([s:13][c:3]1[H:17])/[C:8](=[N:11]\\[N:12]([H:23])[c:7]2[n:10][c:6]([c:4]([s:14]2)[H:18])[C:9]([H:20])([H:21])[H:22])/[H:19])[H:16]', inchi_key='GAHVWBBCLMJFJM-YHYXMXQVSA-N'), OptimizationResult(type='optimization', record_id='18438007', cmiles='[H:15][c:1]1[c:2]([c:5]([s:13][c:3]1[H:17])/[C:8](=[N:11]\\[N:12]([H:23])[c:7]2[n:10][c:6]([c:4]([s:14]2)[H:18])[C:9]([H:20])([H:21])[H:22])/[H:19])[H:16]', inchi_key='GAHVWBBCLMJFJM-YHYXMXQVSA-N'), OptimizationResult(type='optimization', record_id='18438008', cmiles='[H:15][c:1]1[c:2]([c:5]([s:13][c:3]1[H:17])/[C:8](=[N:11]\\[N:12]([H:23])[c:7]2[n:10][c:6]([c:4]([s:14]2)[H:18])[C:9]([H:20])([H:21])[H:22])/[H:19])[H:16]', inchi_key='GAHVWBBCLMJFJM-YHYXMXQVSA-N'), OptimizationResult(type='optimization', record_id='18438009', cmiles='[H:15][c:1]1[c:2]([c:5]([s:13][c:3]1[H:17])/[C:8](=[N:11]\\[N:12]([H:23])[c:7]2[n:10][c:6]([c:4]([s:14]2)[H:18])[C:9]([H:20])([H:21])[H:22])/[H:19])[H:16]', inchi_key='GAHVWBBCLMJFJM-YHYXMXQVSA-N'), OptimizationResult(type='optimization', record_id='18438010', cmiles='[H:15][c:1]1[c:2]([c:5]([s:13][c:3]1[H:17])/[C:8](=[N:11]\\[N:12]([H:23])[c:7]2[n:10][c:6]([c:4]([s:14]2)[H:18])[C:9]([H:20])([H:21])[H:22])/[H:19])[H:16]', inchi_key='GAHVWBBCLMJFJM-YHYXMXQVSA-N'), OptimizationResult(type='optimization', record_id='18438011', cmiles='[H:15][c:1]1[c:2]([c:5]([s:13][c:3]1[H:17])/[C:8](=[N:11]\\[N:12]([H:23])[c:7]2[n:10][c:6]([c:4]([s:14]2)[H:18])[C:9]([H:20])([H:21])[H:22])/[H:19])[H:16]', inchi_key='GAHVWBBCLMJFJM-YHYXMXQVSA-N'), OptimizationResult(type='optimization', record_id='18438012', cmiles='[H:8][c:1]1[c:2]([s:7][c:3]([n:5]1)[C:4](=[O:6])[H:10])[H:9]', inchi_key='ZGTFNNUASMWGTM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438058', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[N+:12](=[O:16])[O-:14])[H:21])[c:7]2[n:9][c:8]([n:10][n:11]2[H:22])[N+:13](=[O:17])[O-:15])[H:19]', inchi_key='NGLKJOZBEWWSRB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438059', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[N+:12](=[O:16])[O-:14])[H:21])[c:7]2[n:9][c:8]([n:10][n:11]2[H:22])[N+:13](=[O:17])[O-:15])[H:19]', inchi_key='NGLKJOZBEWWSRB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438060', cmiles='[H:9][C:3]([H:10])([H:11])[c:1]1[n:5][c:2]([n:7]([n:6]1)[H:14])[C:4]([H:12])([H:13])[N:8]([H:15])[H:16]', inchi_key='YADGRHBCQYSHSZ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438061', cmiles='[H:9][C:3]([H:10])([H:11])[c:1]1[n:5][c:2]([n:7]([n:6]1)[H:14])[C:4]([H:12])([H:13])[N:8]([H:15])[H:16]', inchi_key='YADGRHBCQYSHSZ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438062', cmiles='[H:9][c:1]1[c:2]([n:7]([c:3]([n:5]1)/[C:4](=[N:6]\\[O:8][H:13])/[H:11])[H:12])[H:10]', inchi_key='UFKWQRUCZNBSDY-CLTKARDFSA-N'), OptimizationResult(type='optimization', record_id='18438063', cmiles='[H:9][c:1]1[c:2]([n:7]([c:3]([n:5]1)/[C:4](=[N:6]\\[O:8][H:13])/[H:11])[H:12])[H:10]', inchi_key='UFKWQRUCZNBSDY-CLTKARDFSA-N'), OptimizationResult(type='optimization', record_id='18438064', cmiles='[H:21][C:5]1([C:6]([C:10]([C:12]2([C:9]1([H:29])[H:30])[C:3](=[O:18])[N:17]([C:4](=[O:19])[N:16]2[H:36])[C:13]([H:34])([H:35])[c:2]3[n:14][c:1]([o:20][n:15]3)[C:11]4([C:7]([C:8]4([H:27])[H:28])([H:25])[H:26])[H:33])([H:31])[H:32])([H:23])[H:24])[H:22]', inchi_key='RHLZHSRZAQYIPB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438065', cmiles='[H:21][C:5]1([C:6]([C:10]([C:12]2([C:9]1([H:29])[H:30])[C:3](=[O:18])[N:17]([C:4](=[O:19])[N:16]2[H:36])[C:13]([H:34])([H:35])[c:2]3[n:14][c:1]([o:20][n:15]3)[C:11]4([C:7]([C:8]4([H:27])[H:28])([H:25])[H:26])[H:33])([H:31])[H:32])([H:23])[H:24])[H:22]', inchi_key='RHLZHSRZAQYIPB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438066', cmiles='[H:21][C:5]1([C:6]([C:10]([C:12]2([C:9]1([H:29])[H:30])[C:3](=[O:18])[N:17]([C:4](=[O:19])[N:16]2[H:36])[C:13]([H:34])([H:35])[c:2]3[n:14][c:1]([o:20][n:15]3)[C:11]4([C:7]([C:8]4([H:27])[H:28])([H:25])[H:26])[H:33])([H:31])[H:32])([H:23])[H:24])[H:22]', inchi_key='RHLZHSRZAQYIPB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438067', cmiles='[H:21][C:5]1([C:6]([C:10]([C:12]2([C:9]1([H:29])[H:30])[C:3](=[O:18])[N:17]([C:4](=[O:19])[N:16]2[H:36])[C:13]([H:34])([H:35])[c:2]3[n:14][c:1]([o:20][n:15]3)[C:11]4([C:7]([C:8]4([H:27])[H:28])([H:25])[H:26])[H:33])([H:31])[H:32])([H:23])[H:24])[H:22]', inchi_key='RHLZHSRZAQYIPB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438068', cmiles='[H:21][C:5]1([C:6]([C:10]([C:12]2([C:9]1([H:29])[H:30])[C:3](=[O:18])[N:17]([C:4](=[O:19])[N:16]2[H:36])[C:13]([H:34])([H:35])[c:2]3[n:14][c:1]([o:20][n:15]3)[C:11]4([C:7]([C:8]4([H:27])[H:28])([H:25])[H:26])[H:33])([H:31])[H:32])([H:23])[H:24])[H:22]', inchi_key='RHLZHSRZAQYIPB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438069', cmiles='[H:21][C:5]1([C:6]([C:10]([C:12]2([C:9]1([H:29])[H:30])[C:3](=[O:18])[N:17]([C:4](=[O:19])[N:16]2[H:36])[C:13]([H:34])([H:35])[c:2]3[n:14][c:1]([o:20][n:15]3)[C:11]4([C:7]([C:8]4([H:27])[H:28])([H:25])[H:26])[H:33])([H:31])[H:32])([H:23])[H:24])[H:22]', inchi_key='RHLZHSRZAQYIPB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438070', cmiles='[H:21][C:5]1([C:6]([C:10]([C:12]2([C:9]1([H:29])[H:30])[C:3](=[O:18])[N:17]([C:4](=[O:19])[N:16]2[H:36])[C:13]([H:34])([H:35])[c:2]3[n:14][c:1]([o:20][n:15]3)[C:11]4([C:7]([C:8]4([H:27])[H:28])([H:25])[H:26])[H:33])([H:31])[H:32])([H:23])[H:24])[H:22]', inchi_key='RHLZHSRZAQYIPB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438071', cmiles='[H:21][C:5]1([C:6]([C:10]([C:12]2([C:9]1([H:29])[H:30])[C:3](=[O:18])[N:17]([C:4](=[O:19])[N:16]2[H:36])[C:13]([H:34])([H:35])[c:2]3[n:14][c:1]([o:20][n:15]3)[C:11]4([C:7]([C:8]4([H:27])[H:28])([H:25])[H:26])[H:33])([H:31])[H:32])([H:23])[H:24])[H:22]', inchi_key='RHLZHSRZAQYIPB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438072', cmiles='[H:21][C:5]1([C:6]([C:10]([C:12]2([C:9]1([H:29])[H:30])[C:3](=[O:18])[N:17]([C:4](=[O:19])[N:16]2[H:36])[C:13]([H:34])([H:35])[c:2]3[n:14][c:1]([o:20][n:15]3)[C:11]4([C:7]([C:8]4([H:27])[H:28])([H:25])[H:26])[H:33])([H:31])[H:32])([H:23])[H:24])[H:22]', inchi_key='RHLZHSRZAQYIPB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438073', cmiles='[H:21][C:5]1([C:6]([C:10]([C:12]2([C:9]1([H:29])[H:30])[C:3](=[O:18])[N:17]([C:4](=[O:19])[N:16]2[H:36])[C:13]([H:34])([H:35])[c:2]3[n:14][c:1]([o:20][n:15]3)[C:11]4([C:7]([C:8]4([H:27])[H:28])([H:25])[H:26])[H:33])([H:31])[H:32])([H:23])[H:24])[H:22]', inchi_key='RHLZHSRZAQYIPB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438074', cmiles='[H:21][C:5]1([C:6]([C:10]([C:12]2([C:9]1([H:29])[H:30])[C:3](=[O:18])[N:17]([C:4](=[O:19])[N:16]2[H:36])[C:13]([H:34])([H:35])[c:2]3[n:14][c:1]([o:20][n:15]3)[C:11]4([C:7]([C:8]4([H:27])[H:28])([H:25])[H:26])[H:33])([H:31])[H:32])([H:23])[H:24])[H:22]', inchi_key='RHLZHSRZAQYIPB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438075', cmiles='[H:21][C:5]1([C:6]([C:10]([C:12]2([C:9]1([H:29])[H:30])[C:3](=[O:18])[N:17]([C:4](=[O:19])[N:16]2[H:36])[C:13]([H:34])([H:35])[c:2]3[n:14][c:1]([o:20][n:15]3)[C:11]4([C:7]([C:8]4([H:27])[H:28])([H:25])[H:26])[H:33])([H:31])[H:32])([H:23])[H:24])[H:22]', inchi_key='RHLZHSRZAQYIPB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438076', cmiles='[H:21][C:5]1([C:6]([C:10]([C:12]2([C:9]1([H:29])[H:30])[C:3](=[O:18])[N:17]([C:4](=[O:19])[N:16]2[H:36])[C:13]([H:34])([H:35])[c:2]3[n:14][c:1]([o:20][n:15]3)[C:11]4([C:7]([C:8]4([H:27])[H:28])([H:25])[H:26])[H:33])([H:31])[H:32])([H:23])[H:24])[H:22]', inchi_key='RHLZHSRZAQYIPB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438077', cmiles='[H:21][C:5]1([C:6]([C:10]([C:12]2([C:9]1([H:29])[H:30])[C:3](=[O:18])[N:17]([C:4](=[O:19])[N:16]2[H:36])[C:13]([H:34])([H:35])[c:2]3[n:14][c:1]([o:20][n:15]3)[C:11]4([C:7]([C:8]4([H:27])[H:28])([H:25])[H:26])[H:33])([H:31])[H:32])([H:23])[H:24])[H:22]', inchi_key='RHLZHSRZAQYIPB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438078', cmiles='[H:13][c:1]1[c:2]([c:5]([c:6]([c:3]([c:4]1/[C:7](=[N:8]\\[O:10][H:18])/[N:9]([H:16])[H:17])[H:15])[Br:12])[F:11])[H:14]', inchi_key='VDRMGMVSAHIQPD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438079', cmiles='[H:13][c:1]1[c:2]([c:5]([c:6]([c:3]([c:4]1/[C:7](=[N:8]\\[O:10][H:18])/[N:9]([H:16])[H:17])[H:15])[Br:12])[F:11])[H:14]', inchi_key='VDRMGMVSAHIQPD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438080', cmiles='[H:26][c:1]1[c:2]([c:4]([c:8]2[c:7]([c:3]1[H:28])[c:5]([c:6]([c:11]([c:9]2/[C:17](=[N:19]/[c:10]3[c:12]([c:14]([c:16]([c:15]([c:13]3[F:22])[F:24])[F:25])[F:23])[F:21])/[H:32])[O:20][C:18]([H:33])([H:34])[H:35])[H:31])[H:30])[H:29])[H:27]', inchi_key='SWGKJUBQDOWRBA-KTZMUZOWSA-N'), OptimizationResult(type='optimization', record_id='18438081', cmiles='[H:26][c:1]1[c:2]([c:4]([c:8]2[c:7]([c:3]1[H:28])[c:5]([c:6]([c:11]([c:9]2/[C:17](=[N:19]/[c:10]3[c:12]([c:14]([c:16]([c:15]([c:13]3[F:22])[F:24])[F:25])[F:23])[F:21])/[H:32])[O:20][C:18]([H:33])([H:34])[H:35])[H:31])[H:30])[H:29])[H:27]', inchi_key='SWGKJUBQDOWRBA-KTZMUZOWSA-N'), OptimizationResult(type='optimization', record_id='18438082', cmiles='[H:26][c:1]1[c:2]([c:4]([c:8]2[c:7]([c:3]1[H:28])[c:5]([c:6]([c:11]([c:9]2/[C:17](=[N:19]/[c:10]3[c:12]([c:14]([c:16]([c:15]([c:13]3[F:22])[F:24])[F:25])[F:23])[F:21])/[H:32])[O:20][C:18]([H:33])([H:34])[H:35])[H:31])[H:30])[H:29])[H:27]', inchi_key='SWGKJUBQDOWRBA-KTZMUZOWSA-N'), OptimizationResult(type='optimization', record_id='18438083', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[c:7]3[c:10]([n:20]2[H:40])[C:14]([C:17]([N:21]([C:13]3([H:29])[H:30])[C:12](=[O:22])[c:9]4[c:5]([c:11]([o:23][n:19]4)[C:18]5([C:15]([C:16]5([H:35])[H:36])([H:33])[H:34])[H:39])[H:28])([H:37])[H:38])([H:31])[H:32])[H:27])[H:25]', inchi_key='OJOHWWUCBXZVHB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438084', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[c:7]3[c:10]([n:20]2[H:40])[C:14]([C:17]([N:21]([C:13]3([H:29])[H:30])[C:12](=[O:22])[c:9]4[c:5]([c:11]([o:23][n:19]4)[C:18]5([C:15]([C:16]5([H:35])[H:36])([H:33])[H:34])[H:39])[H:28])([H:37])[H:38])([H:31])[H:32])[H:27])[H:25]', inchi_key='OJOHWWUCBXZVHB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438085', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[c:7]3[c:10]([n:20]2[H:40])[C:14]([C:17]([N:21]([C:13]3([H:29])[H:30])[C:12](=[O:22])[c:9]4[c:5]([c:11]([o:23][n:19]4)[C:18]5([C:15]([C:16]5([H:35])[H:36])([H:33])[H:34])[H:39])[H:28])([H:37])[H:38])([H:31])[H:32])[H:27])[H:25]', inchi_key='OJOHWWUCBXZVHB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438086', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[c:7]3[c:10]([n:20]2[H:40])[C:14]([C:17]([N:21]([C:13]3([H:29])[H:30])[C:12](=[O:22])[c:9]4[c:5]([c:11]([o:23][n:19]4)[C:18]5([C:15]([C:16]5([H:35])[H:36])([H:33])[H:34])[H:39])[H:28])([H:37])[H:38])([H:31])[H:32])[H:27])[H:25]', inchi_key='OJOHWWUCBXZVHB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438087', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[c:7]3[c:10]([n:20]2[H:40])[C:14]([C:17]([N:21]([C:13]3([H:29])[H:30])[C:12](=[O:22])[c:9]4[c:5]([c:11]([o:23][n:19]4)[C:18]5([C:15]([C:16]5([H:35])[H:36])([H:33])[H:34])[H:39])[H:28])([H:37])[H:38])([H:31])[H:32])[H:27])[H:25]', inchi_key='OJOHWWUCBXZVHB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438088', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[c:7]3[c:10]([n:20]2[H:40])[C:14]([C:17]([N:21]([C:13]3([H:29])[H:30])[C:12](=[O:22])[c:9]4[c:5]([c:11]([o:23][n:19]4)[C:18]5([C:15]([C:16]5([H:35])[H:36])([H:33])[H:34])[H:39])[H:28])([H:37])[H:38])([H:31])[H:32])[H:27])[H:25]', inchi_key='OJOHWWUCBXZVHB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438089', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[c:7]3[c:10]([n:20]2[H:40])[C:14]([C:17]([N:21]([C:13]3([H:29])[H:30])[C:12](=[O:22])[c:9]4[c:5]([c:11]([o:23][n:19]4)[C:18]5([C:15]([C:16]5([H:35])[H:36])([H:33])[H:34])[H:39])[H:28])([H:37])[H:38])([H:31])[H:32])[H:27])[H:25]', inchi_key='OJOHWWUCBXZVHB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438090', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[c:7]3[c:10]([n:20]2[H:40])[C:14]([C:17]([N:21]([C:13]3([H:29])[H:30])[C:12](=[O:22])[c:9]4[c:5]([c:11]([o:23][n:19]4)[C:18]5([C:15]([C:16]5([H:35])[H:36])([H:33])[H:34])[H:39])[H:28])([H:37])[H:38])([H:31])[H:32])[H:27])[H:25]', inchi_key='OJOHWWUCBXZVHB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438091', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[c:7]3[c:10]([n:20]2[H:40])[C:14]([C:17]([N:21]([C:13]3([H:29])[H:30])[C:12](=[O:22])[c:9]4[c:5]([c:11]([o:23][n:19]4)[C:18]5([C:15]([C:16]5([H:35])[H:36])([H:33])[H:34])[H:39])[H:28])([H:37])[H:38])([H:31])[H:32])[H:27])[H:25]', inchi_key='OJOHWWUCBXZVHB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438092', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[c:7]3[c:10]([n:20]2[H:40])[C:14]([C:17]([N:21]([C:13]3([H:29])[H:30])[C:12](=[O:22])[c:9]4[c:5]([c:11]([o:23][n:19]4)[C:18]5([C:15]([C:16]5([H:35])[H:36])([H:33])[H:34])[H:39])[H:28])([H:37])[H:38])([H:31])[H:32])[H:27])[H:25]', inchi_key='OJOHWWUCBXZVHB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438093', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[c:7]3[c:10]([n:20]2[H:40])[C:14]([C:17]([N:21]([C:13]3([H:29])[H:30])[C:12](=[O:22])[c:9]4[c:5]([c:11]([o:23][n:19]4)[C:18]5([C:15]([C:16]5([H:35])[H:36])([H:33])[H:34])[H:39])[H:28])([H:37])[H:38])([H:31])[H:32])[H:27])[H:25]', inchi_key='OJOHWWUCBXZVHB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438094', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[c:7]3[c:10]([n:20]2[H:40])[C:14]([C:17]([N:21]([C:13]3([H:29])[H:30])[C:12](=[O:22])[c:9]4[c:5]([c:11]([o:23][n:19]4)[C:18]5([C:15]([C:16]5([H:35])[H:36])([H:33])[H:34])[H:39])[H:28])([H:37])[H:38])([H:31])[H:32])[H:27])[H:25]', inchi_key='OJOHWWUCBXZVHB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438095', cmiles='[H:24][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:26])[c:7]3[c:10]([n:20]2[H:40])[C:14]([C:17]([N:21]([C:13]3([H:29])[H:30])[C:12](=[O:22])[c:9]4[c:5]([c:11]([o:23][n:19]4)[C:18]5([C:15]([C:16]5([H:35])[H:36])([H:33])[H:34])[H:39])[H:28])([H:37])[H:38])([H:31])[H:32])[H:27])[H:25]', inchi_key='OJOHWWUCBXZVHB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438096', cmiles='[H:20][c:1]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:24])/[C:14](=[N:16]\\[N:17]([H:29])[c:13]2[n:15][c:10]3[c:6]([c:2]([c:3]([c:7]([c:11]3[o:18]2)[H:26])[H:22])[H:21])[H:25])/[H:28])[Br:19])[H:27])[H:23]', inchi_key='RCWXPSMXNMRUDU-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18438097', cmiles='[H:20][c:1]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:24])/[C:14](=[N:16]\\[N:17]([H:29])[c:13]2[n:15][c:10]3[c:6]([c:2]([c:3]([c:7]([c:11]3[o:18]2)[H:26])[H:22])[H:21])[H:25])/[H:28])[Br:19])[H:27])[H:23]', inchi_key='RCWXPSMXNMRUDU-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18438098', cmiles='[H:20][c:1]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:24])/[C:14](=[N:16]\\[N:17]([H:29])[c:13]2[n:15][c:10]3[c:6]([c:2]([c:3]([c:7]([c:11]3[o:18]2)[H:26])[H:22])[H:21])[H:25])/[H:28])[Br:19])[H:27])[H:23]', inchi_key='RCWXPSMXNMRUDU-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18438099', cmiles='[H:20][c:1]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:24])/[C:14](=[N:16]\\[N:17]([H:29])[c:13]2[n:15][c:10]3[c:6]([c:2]([c:3]([c:7]([c:11]3[o:18]2)[H:26])[H:22])[H:21])[H:25])/[H:28])[Br:19])[H:27])[H:23]', inchi_key='RCWXPSMXNMRUDU-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18438100', cmiles='[H:20][c:1]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:24])/[C:14](=[N:16]\\[N:17]([H:29])[c:13]2[n:15][c:10]3[c:6]([c:2]([c:3]([c:7]([c:11]3[o:18]2)[H:26])[H:22])[H:21])[H:25])/[H:28])[Br:19])[H:27])[H:23]', inchi_key='RCWXPSMXNMRUDU-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18438101', cmiles='[H:20][c:1]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:24])/[C:14](=[N:16]\\[N:17]([H:29])[c:13]2[n:15][c:10]3[c:6]([c:2]([c:3]([c:7]([c:11]3[o:18]2)[H:26])[H:22])[H:21])[H:25])/[H:28])[Br:19])[H:27])[H:23]', inchi_key='RCWXPSMXNMRUDU-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18438102', cmiles='[H:20][c:1]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:24])/[C:14](=[N:16]\\[N:17]([H:29])[c:13]2[n:15][c:10]3[c:6]([c:2]([c:3]([c:7]([c:11]3[o:18]2)[H:26])[H:22])[H:21])[H:25])/[H:28])[Br:19])[H:27])[H:23]', inchi_key='RCWXPSMXNMRUDU-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18438103', cmiles='[H:20][c:1]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:24])/[C:14](=[N:16]\\[N:17]([H:29])[c:13]2[n:15][c:10]3[c:6]([c:2]([c:3]([c:7]([c:11]3[o:18]2)[H:26])[H:22])[H:21])[H:25])/[H:28])[Br:19])[H:27])[H:23]', inchi_key='RCWXPSMXNMRUDU-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18438104', cmiles='[H:20][c:1]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:24])/[C:14](=[N:16]\\[N:17]([H:29])[c:13]2[n:15][c:10]3[c:6]([c:2]([c:3]([c:7]([c:11]3[o:18]2)[H:26])[H:22])[H:21])[H:25])/[H:28])[Br:19])[H:27])[H:23]', inchi_key='RCWXPSMXNMRUDU-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18438105', cmiles='[H:20][c:1]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:24])/[C:14](=[N:16]\\[N:17]([H:29])[c:13]2[n:15][c:10]3[c:6]([c:2]([c:3]([c:7]([c:11]3[o:18]2)[H:26])[H:22])[H:21])[H:25])/[H:28])[Br:19])[H:27])[H:23]', inchi_key='RCWXPSMXNMRUDU-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18438106', cmiles='[H:20][c:1]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:24])/[C:14](=[N:16]\\[N:17]([H:29])[c:13]2[n:15][c:10]3[c:6]([c:2]([c:3]([c:7]([c:11]3[o:18]2)[H:26])[H:22])[H:21])[H:25])/[H:28])[Br:19])[H:27])[H:23]', inchi_key='RCWXPSMXNMRUDU-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18438107', cmiles='[H:20][c:1]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:24])/[C:14](=[N:16]\\[N:17]([H:29])[c:13]2[n:15][c:10]3[c:6]([c:2]([c:3]([c:7]([c:11]3[o:18]2)[H:26])[H:22])[H:21])[H:25])/[H:28])[Br:19])[H:27])[H:23]', inchi_key='RCWXPSMXNMRUDU-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18438108', cmiles='[H:20][c:1]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:24])/[C:14](=[N:16]\\[N:17]([H:29])[c:13]2[n:15][c:10]3[c:6]([c:2]([c:3]([c:7]([c:11]3[o:18]2)[H:26])[H:22])[H:21])[H:25])/[H:28])[Br:19])[H:27])[H:23]', inchi_key='RCWXPSMXNMRUDU-SXGWCWSVSA-N'), OptimizationResult(type='optimization', record_id='18438109', cmiles='[H:20][c:1]1[c:2]([c:7]([c:4]([c:9]([c:3]1[H:22])[Cl:19])[H:23])[N:15]([H:29])/[N:14]=[C:12](\\[H:25])/[c:6]2[c:8]([c:5]([c:10]([o:17][c:11]2=[O:16])[C:13]([H:26])([H:27])[H:28])[H:24])[O:18][H:30])[H:21]', inchi_key='HQNCBAFTTWGXIT-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18438110', cmiles='[H:20][c:1]1[c:2]([c:7]([c:4]([c:9]([c:3]1[H:22])[Cl:19])[H:23])[N:15]([H:29])/[N:14]=[C:12](\\[H:25])/[c:6]2[c:8]([c:5]([c:10]([o:17][c:11]2=[O:16])[C:13]([H:26])([H:27])[H:28])[H:24])[O:18][H:30])[H:21]', inchi_key='HQNCBAFTTWGXIT-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18438111', cmiles='[H:20][c:1]1[c:2]([c:7]([c:4]([c:9]([c:3]1[H:22])[Cl:19])[H:23])[N:15]([H:29])/[N:14]=[C:12](\\[H:25])/[c:6]2[c:8]([c:5]([c:10]([o:17][c:11]2=[O:16])[C:13]([H:26])([H:27])[H:28])[H:24])[O:18][H:30])[H:21]', inchi_key='HQNCBAFTTWGXIT-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18438112', cmiles='[H:20][c:1]1[c:2]([c:7]([c:4]([c:9]([c:3]1[H:22])[Cl:19])[H:23])[N:15]([H:29])/[N:14]=[C:12](\\[H:25])/[c:6]2[c:8]([c:5]([c:10]([o:17][c:11]2=[O:16])[C:13]([H:26])([H:27])[H:28])[H:24])[O:18][H:30])[H:21]', inchi_key='HQNCBAFTTWGXIT-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18438113', cmiles='[H:20][c:1]1[c:2]([c:7]([c:4]([c:9]([c:3]1[H:22])[Cl:19])[H:23])[N:15]([H:29])/[N:14]=[C:12](\\[H:25])/[c:6]2[c:8]([c:5]([c:10]([o:17][c:11]2=[O:16])[C:13]([H:26])([H:27])[H:28])[H:24])[O:18][H:30])[H:21]', inchi_key='HQNCBAFTTWGXIT-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18438114', cmiles='[H:20][c:1]1[c:2]([c:7]([c:4]([c:9]([c:3]1[H:22])[Cl:19])[H:23])[N:15]([H:29])/[N:14]=[C:12](\\[H:25])/[c:6]2[c:8]([c:5]([c:10]([o:17][c:11]2=[O:16])[C:13]([H:26])([H:27])[H:28])[H:24])[O:18][H:30])[H:21]', inchi_key='HQNCBAFTTWGXIT-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18438115', cmiles='[H:20][c:1]1[c:2]([c:7]([c:4]([c:9]([c:3]1[H:22])[Cl:19])[H:23])[N:15]([H:29])/[N:14]=[C:12](\\[H:25])/[c:6]2[c:8]([c:5]([c:10]([o:17][c:11]2=[O:16])[C:13]([H:26])([H:27])[H:28])[H:24])[O:18][H:30])[H:21]', inchi_key='HQNCBAFTTWGXIT-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18438116', cmiles='[H:20][c:1]1[c:2]([c:7]([c:4]([c:9]([c:3]1[H:22])[Cl:19])[H:23])[N:15]([H:29])/[N:14]=[C:12](\\[H:25])/[c:6]2[c:8]([c:5]([c:10]([o:17][c:11]2=[O:16])[C:13]([H:26])([H:27])[H:28])[H:24])[O:18][H:30])[H:21]', inchi_key='HQNCBAFTTWGXIT-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18438117', cmiles='[H:20][c:1]1[c:2]([c:7]([c:4]([c:9]([c:3]1[H:22])[Cl:19])[H:23])[N:15]([H:29])/[N:14]=[C:12](\\[H:25])/[c:6]2[c:8]([c:5]([c:10]([o:17][c:11]2=[O:16])[C:13]([H:26])([H:27])[H:28])[H:24])[O:18][H:30])[H:21]', inchi_key='HQNCBAFTTWGXIT-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18438118', cmiles='[H:20][c:1]1[c:2]([c:7]([c:4]([c:9]([c:3]1[H:22])[Cl:19])[H:23])[N:15]([H:29])/[N:14]=[C:12](\\[H:25])/[c:6]2[c:8]([c:5]([c:10]([o:17][c:11]2=[O:16])[C:13]([H:26])([H:27])[H:28])[H:24])[O:18][H:30])[H:21]', inchi_key='HQNCBAFTTWGXIT-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18438119', cmiles='[H:20][c:1]1[c:2]([c:7]([c:4]([c:9]([c:3]1[H:22])[Cl:19])[H:23])[N:15]([H:29])/[N:14]=[C:12](\\[H:25])/[c:6]2[c:8]([c:5]([c:10]([o:17][c:11]2=[O:16])[C:13]([H:26])([H:27])[H:28])[H:24])[O:18][H:30])[H:21]', inchi_key='HQNCBAFTTWGXIT-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18438120', cmiles='[H:20][c:1]1[c:2]([c:7]([c:4]([c:9]([c:3]1[H:22])[Cl:19])[H:23])[N:15]([H:29])/[N:14]=[C:12](\\[H:25])/[c:6]2[c:8]([c:5]([c:10]([o:17][c:11]2=[O:16])[C:13]([H:26])([H:27])[H:28])[H:24])[O:18][H:30])[H:21]', inchi_key='HQNCBAFTTWGXIT-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18438121', cmiles='[H:20][c:1]1[c:2]([c:7]([c:4]([c:9]([c:3]1[H:22])[Cl:19])[H:23])[N:15]([H:29])/[N:14]=[C:12](\\[H:25])/[c:6]2[c:8]([c:5]([c:10]([o:17][c:11]2=[O:16])[C:13]([H:26])([H:27])[H:28])[H:24])[O:18][H:30])[H:21]', inchi_key='HQNCBAFTTWGXIT-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18438122', cmiles='[H:20][c:1]1[c:2]([c:7]([c:4]([c:9]([c:3]1[H:22])[Cl:19])[H:23])[N:15]([H:29])/[N:14]=[C:12](\\[H:25])/[c:6]2[c:8]([c:5]([c:10]([o:17][c:11]2=[O:16])[C:13]([H:26])([H:27])[H:28])[H:24])[O:18][H:30])[H:21]', inchi_key='HQNCBAFTTWGXIT-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18438123', cmiles='[H:21][c:1]1[n:14][c:7]([c:2]2[c:4]([n:16][o:20][c:8]2[n:15]1)[C:9]([H:22])([H:23])[H:24])[N@:18]([C:12]([H:31])([H:32])[H:33])[C:13]([H:34])([H:35])[c:3]3[c:5]([n:17][o:19][c:6]3[C:11]([H:28])([H:29])[H:30])[C:10]([H:25])([H:26])[H:27]', inchi_key='SCYYFXKIWJQKOI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438124', cmiles='[H:21][c:1]1[n:14][c:7]([c:2]2[c:4]([n:16][o:20][c:8]2[n:15]1)[C:9]([H:22])([H:23])[H:24])[N@:18]([C:12]([H:31])([H:32])[H:33])[C:13]([H:34])([H:35])[c:3]3[c:5]([n:17][o:19][c:6]3[C:11]([H:28])([H:29])[H:30])[C:10]([H:25])([H:26])[H:27]', inchi_key='SCYYFXKIWJQKOI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438125', cmiles='[H:21][c:1]1[n:14][c:7]([c:2]2[c:4]([n:16][o:20][c:8]2[n:15]1)[C:9]([H:22])([H:23])[H:24])[N@:18]([C:12]([H:31])([H:32])[H:33])[C:13]([H:34])([H:35])[c:3]3[c:5]([n:17][o:19][c:6]3[C:11]([H:28])([H:29])[H:30])[C:10]([H:25])([H:26])[H:27]', inchi_key='SCYYFXKIWJQKOI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438126', cmiles='[H:21][c:1]1[n:14][c:7]([c:2]2[c:4]([n:16][o:20][c:8]2[n:15]1)[C:9]([H:22])([H:23])[H:24])[N@:18]([C:12]([H:31])([H:32])[H:33])[C:13]([H:34])([H:35])[c:3]3[c:5]([n:17][o:19][c:6]3[C:11]([H:28])([H:29])[H:30])[C:10]([H:25])([H:26])[H:27]', inchi_key='SCYYFXKIWJQKOI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438127', cmiles='[H:21][c:1]1[n:14][c:7]([c:2]2[c:4]([n:16][o:20][c:8]2[n:15]1)[C:9]([H:22])([H:23])[H:24])[N@:18]([C:12]([H:31])([H:32])[H:33])[C:13]([H:34])([H:35])[c:3]3[c:5]([n:17][o:19][c:6]3[C:11]([H:28])([H:29])[H:30])[C:10]([H:25])([H:26])[H:27]', inchi_key='SCYYFXKIWJQKOI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438128', cmiles='[H:21][c:1]1[n:14][c:7]([c:2]2[c:4]([n:16][o:20][c:8]2[n:15]1)[C:9]([H:22])([H:23])[H:24])[N@:18]([C:12]([H:31])([H:32])[H:33])[C:13]([H:34])([H:35])[c:3]3[c:5]([n:17][o:19][c:6]3[C:11]([H:28])([H:29])[H:30])[C:10]([H:25])([H:26])[H:27]', inchi_key='SCYYFXKIWJQKOI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438129', cmiles='[H:21][c:1]1[n:14][c:7]([c:2]2[c:4]([n:16][o:20][c:8]2[n:15]1)[C:9]([H:22])([H:23])[H:24])[N@:18]([C:12]([H:31])([H:32])[H:33])[C:13]([H:34])([H:35])[c:3]3[c:5]([n:17][o:19][c:6]3[C:11]([H:28])([H:29])[H:30])[C:10]([H:25])([H:26])[H:27]', inchi_key='SCYYFXKIWJQKOI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438130', cmiles='[H:21][c:1]1[n:14][c:7]([c:2]2[c:4]([n:16][o:20][c:8]2[n:15]1)[C:9]([H:22])([H:23])[H:24])[N@:18]([C:12]([H:31])([H:32])[H:33])[C:13]([H:34])([H:35])[c:3]3[c:5]([n:17][o:19][c:6]3[C:11]([H:28])([H:29])[H:30])[C:10]([H:25])([H:26])[H:27]', inchi_key='SCYYFXKIWJQKOI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438131', cmiles='[H:21][c:1]1[n:14][c:7]([c:2]2[c:4]([n:16][o:20][c:8]2[n:15]1)[C:9]([H:22])([H:23])[H:24])[N@:18]([C:12]([H:31])([H:32])[H:33])[C:13]([H:34])([H:35])[c:3]3[c:5]([n:17][o:19][c:6]3[C:11]([H:28])([H:29])[H:30])[C:10]([H:25])([H:26])[H:27]', inchi_key='SCYYFXKIWJQKOI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438132', cmiles='[H:21][c:1]1[n:14][c:7]([c:2]2[c:4]([n:16][o:20][c:8]2[n:15]1)[C:9]([H:22])([H:23])[H:24])[N@:18]([C:12]([H:31])([H:32])[H:33])[C:13]([H:34])([H:35])[c:3]3[c:5]([n:17][o:19][c:6]3[C:11]([H:28])([H:29])[H:30])[C:10]([H:25])([H:26])[H:27]', inchi_key='SCYYFXKIWJQKOI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438133', cmiles='[H:21][c:1]1[n:14][c:7]([c:2]2[c:4]([n:16][o:20][c:8]2[n:15]1)[C:9]([H:22])([H:23])[H:24])[N@:18]([C:12]([H:31])([H:32])[H:33])[C:13]([H:34])([H:35])[c:3]3[c:5]([n:17][o:19][c:6]3[C:11]([H:28])([H:29])[H:30])[C:10]([H:25])([H:26])[H:27]', inchi_key='SCYYFXKIWJQKOI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438134', cmiles='[H:24][c:1]1[c:2]([s:23][c:3]([n:18]1)[C:17]([H:47])([H:48])[N@@:20]2[C:12]([C@@:16]3([C:4](=[O:21])[N:19]([C:10]([C:5]([C:6]3([H:28])[H:29])([H:26])[H:27])([H:36])[H:37])[C:15]4([C:8]([C:13]([O:22][C:14]([C:9]4([H:34])[H:35])([H:44])[H:45])([H:42])[H:43])([H:32])[H:33])[H:46])[C:7]([C:11]2([H:38])[H:39])([H:30])[H:31])([H:40])[H:41])[H:25]', inchi_key='BMAMZZAGBSHIHM-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18438135', cmiles='[H:24][c:1]1[c:2]([s:23][c:3]([n:18]1)[C:17]([H:47])([H:48])[N@@:20]2[C:12]([C@@:16]3([C:4](=[O:21])[N:19]([C:10]([C:5]([C:6]3([H:28])[H:29])([H:26])[H:27])([H:36])[H:37])[C:15]4([C:8]([C:13]([O:22][C:14]([C:9]4([H:34])[H:35])([H:44])[H:45])([H:42])[H:43])([H:32])[H:33])[H:46])[C:7]([C:11]2([H:38])[H:39])([H:30])[H:31])([H:40])[H:41])[H:25]', inchi_key='BMAMZZAGBSHIHM-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18438136', cmiles='[H:24][c:1]1[c:2]([s:23][c:3]([n:18]1)[C:17]([H:47])([H:48])[N@@:20]2[C:12]([C@@:16]3([C:4](=[O:21])[N:19]([C:10]([C:5]([C:6]3([H:28])[H:29])([H:26])[H:27])([H:36])[H:37])[C:15]4([C:8]([C:13]([O:22][C:14]([C:9]4([H:34])[H:35])([H:44])[H:45])([H:42])[H:43])([H:32])[H:33])[H:46])[C:7]([C:11]2([H:38])[H:39])([H:30])[H:31])([H:40])[H:41])[H:25]', inchi_key='BMAMZZAGBSHIHM-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18438137', cmiles='[H:24][c:1]1[c:2]([s:23][c:3]([n:18]1)[C:17]([H:47])([H:48])[N@@:20]2[C:12]([C@@:16]3([C:4](=[O:21])[N:19]([C:10]([C:5]([C:6]3([H:28])[H:29])([H:26])[H:27])([H:36])[H:37])[C:15]4([C:8]([C:13]([O:22][C:14]([C:9]4([H:34])[H:35])([H:44])[H:45])([H:42])[H:43])([H:32])[H:33])[H:46])[C:7]([C:11]2([H:38])[H:39])([H:30])[H:31])([H:40])[H:41])[H:25]', inchi_key='BMAMZZAGBSHIHM-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18438138', cmiles='[H:24][c:1]1[c:2]([s:23][c:3]([n:18]1)[C:17]([H:47])([H:48])[N@@:20]2[C:12]([C@@:16]3([C:4](=[O:21])[N:19]([C:10]([C:5]([C:6]3([H:28])[H:29])([H:26])[H:27])([H:36])[H:37])[C:15]4([C:8]([C:13]([O:22][C:14]([C:9]4([H:34])[H:35])([H:44])[H:45])([H:42])[H:43])([H:32])[H:33])[H:46])[C:7]([C:11]2([H:38])[H:39])([H:30])[H:31])([H:40])[H:41])[H:25]', inchi_key='BMAMZZAGBSHIHM-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18438139', cmiles='[H:24][c:1]1[c:2]([s:23][c:3]([n:18]1)[C:17]([H:47])([H:48])[N@@:20]2[C:12]([C@@:16]3([C:4](=[O:21])[N:19]([C:10]([C:5]([C:6]3([H:28])[H:29])([H:26])[H:27])([H:36])[H:37])[C:15]4([C:8]([C:13]([O:22][C:14]([C:9]4([H:34])[H:35])([H:44])[H:45])([H:42])[H:43])([H:32])[H:33])[H:46])[C:7]([C:11]2([H:38])[H:39])([H:30])[H:31])([H:40])[H:41])[H:25]', inchi_key='BMAMZZAGBSHIHM-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18438140', cmiles='[H:24][c:1]1[c:2]([s:23][c:3]([n:18]1)[C:17]([H:47])([H:48])[N@@:20]2[C:12]([C@@:16]3([C:4](=[O:21])[N:19]([C:10]([C:5]([C:6]3([H:28])[H:29])([H:26])[H:27])([H:36])[H:37])[C:15]4([C:8]([C:13]([O:22][C:14]([C:9]4([H:34])[H:35])([H:44])[H:45])([H:42])[H:43])([H:32])[H:33])[H:46])[C:7]([C:11]2([H:38])[H:39])([H:30])[H:31])([H:40])[H:41])[H:25]', inchi_key='BMAMZZAGBSHIHM-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18438141', cmiles='[H:24][c:1]1[c:2]([s:23][c:3]([n:18]1)[C:17]([H:47])([H:48])[N@@:20]2[C:12]([C@@:16]3([C:4](=[O:21])[N:19]([C:10]([C:5]([C:6]3([H:28])[H:29])([H:26])[H:27])([H:36])[H:37])[C:15]4([C:8]([C:13]([O:22][C:14]([C:9]4([H:34])[H:35])([H:44])[H:45])([H:42])[H:43])([H:32])[H:33])[H:46])[C:7]([C:11]2([H:38])[H:39])([H:30])[H:31])([H:40])[H:41])[H:25]', inchi_key='BMAMZZAGBSHIHM-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18438142', cmiles='[H:24][c:1]1[c:2]([s:23][c:3]([n:18]1)[C:17]([H:47])([H:48])[N@@:20]2[C:12]([C@@:16]3([C:4](=[O:21])[N:19]([C:10]([C:5]([C:6]3([H:28])[H:29])([H:26])[H:27])([H:36])[H:37])[C:15]4([C:8]([C:13]([O:22][C:14]([C:9]4([H:34])[H:35])([H:44])[H:45])([H:42])[H:43])([H:32])[H:33])[H:46])[C:7]([C:11]2([H:38])[H:39])([H:30])[H:31])([H:40])[H:41])[H:25]', inchi_key='BMAMZZAGBSHIHM-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18438143', cmiles='[H:24][c:1]1[c:2]([s:23][c:3]([n:18]1)[C:17]([H:47])([H:48])[N@@:20]2[C:12]([C@@:16]3([C:4](=[O:21])[N:19]([C:10]([C:5]([C:6]3([H:28])[H:29])([H:26])[H:27])([H:36])[H:37])[C:15]4([C:8]([C:13]([O:22][C:14]([C:9]4([H:34])[H:35])([H:44])[H:45])([H:42])[H:43])([H:32])[H:33])[H:46])[C:7]([C:11]2([H:38])[H:39])([H:30])[H:31])([H:40])[H:41])[H:25]', inchi_key='BMAMZZAGBSHIHM-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18438144', cmiles='[H:24][c:1]1[c:2]([s:23][c:3]([n:18]1)[C:17]([H:47])([H:48])[N@@:20]2[C:12]([C@@:16]3([C:4](=[O:21])[N:19]([C:10]([C:5]([C:6]3([H:28])[H:29])([H:26])[H:27])([H:36])[H:37])[C:15]4([C:8]([C:13]([O:22][C:14]([C:9]4([H:34])[H:35])([H:44])[H:45])([H:42])[H:43])([H:32])[H:33])[H:46])[C:7]([C:11]2([H:38])[H:39])([H:30])[H:31])([H:40])[H:41])[H:25]', inchi_key='BMAMZZAGBSHIHM-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18438145', cmiles='[H:24][c:1]1[c:2]([s:23][c:3]([n:18]1)[C:17]([H:47])([H:48])[N@@:20]2[C:12]([C@@:16]3([C:4](=[O:21])[N:19]([C:10]([C:5]([C:6]3([H:28])[H:29])([H:26])[H:27])([H:36])[H:37])[C:15]4([C:8]([C:13]([O:22][C:14]([C:9]4([H:34])[H:35])([H:44])[H:45])([H:42])[H:43])([H:32])[H:33])[H:46])[C:7]([C:11]2([H:38])[H:39])([H:30])[H:31])([H:40])[H:41])[H:25]', inchi_key='BMAMZZAGBSHIHM-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18438146', cmiles='[H:24][c:1]1[c:2]([s:23][c:3]([n:18]1)[C:17]([H:47])([H:48])[N@@:20]2[C:12]([C@@:16]3([C:4](=[O:21])[N:19]([C:10]([C:5]([C:6]3([H:28])[H:29])([H:26])[H:27])([H:36])[H:37])[C:15]4([C:8]([C:13]([O:22][C:14]([C:9]4([H:34])[H:35])([H:44])[H:45])([H:42])[H:43])([H:32])[H:33])[H:46])[C:7]([C:11]2([H:38])[H:39])([H:30])[H:31])([H:40])[H:41])[H:25]', inchi_key='BMAMZZAGBSHIHM-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18438147', cmiles='[H:24][c:1]1[c:2]([s:23][c:3]([n:18]1)[C:17]([H:47])([H:48])[N@@:20]2[C:12]([C@@:16]3([C:4](=[O:21])[N:19]([C:10]([C:5]([C:6]3([H:28])[H:29])([H:26])[H:27])([H:36])[H:37])[C:15]4([C:8]([C:13]([O:22][C:14]([C:9]4([H:34])[H:35])([H:44])[H:45])([H:42])[H:43])([H:32])[H:33])[H:46])[C:7]([C:11]2([H:38])[H:39])([H:30])[H:31])([H:40])[H:41])[H:25]', inchi_key='BMAMZZAGBSHIHM-KRWDZBQOSA-N'), OptimizationResult(type='optimization', record_id='18438148', cmiles='[H:24][c:1]1[c:2]([c:5]2[c:7]([n:14][c:3]1[H:26])[S:22][C:11]([C:10]([N@:17]2[S:23](=[O:20])(=[O:21])[c:6]3[c:4]([n:15]([c:9](=[O:19])[n:16]([c:8]3=[O:18])[C:13]([H:35])([H:36])[H:37])[C:12]([H:32])([H:33])[H:34])[H:27])([H:28])[H:29])([H:30])[H:31])[H:25]', inchi_key='BPBYUPQSORJAMT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438149', cmiles='[H:24][c:1]1[c:2]([c:5]2[c:7]([n:14][c:3]1[H:26])[S:22][C:11]([C:10]([N@:17]2[S:23](=[O:20])(=[O:21])[c:6]3[c:4]([n:15]([c:9](=[O:19])[n:16]([c:8]3=[O:18])[C:13]([H:35])([H:36])[H:37])[C:12]([H:32])([H:33])[H:34])[H:27])([H:28])[H:29])([H:30])[H:31])[H:25]', inchi_key='BPBYUPQSORJAMT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438150', cmiles='[H:24][c:1]1[c:2]([c:5]2[c:7]([n:14][c:3]1[H:26])[S:22][C:11]([C:10]([N@:17]2[S:23](=[O:20])(=[O:21])[c:6]3[c:4]([n:15]([c:9](=[O:19])[n:16]([c:8]3=[O:18])[C:13]([H:35])([H:36])[H:37])[C:12]([H:32])([H:33])[H:34])[H:27])([H:28])[H:29])([H:30])[H:31])[H:25]', inchi_key='BPBYUPQSORJAMT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438151', cmiles='[H:24][c:1]1[c:2]([c:5]2[c:7]([n:14][c:3]1[H:26])[S:22][C:11]([C:10]([N@:17]2[S:23](=[O:20])(=[O:21])[c:6]3[c:4]([n:15]([c:9](=[O:19])[n:16]([c:8]3=[O:18])[C:13]([H:35])([H:36])[H:37])[C:12]([H:32])([H:33])[H:34])[H:27])([H:28])[H:29])([H:30])[H:31])[H:25]', inchi_key='BPBYUPQSORJAMT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438152', cmiles='[H:24][c:1]1[c:2]([c:5]2[c:7]([n:14][c:3]1[H:26])[S:22][C:11]([C:10]([N@:17]2[S:23](=[O:20])(=[O:21])[c:6]3[c:4]([n:15]([c:9](=[O:19])[n:16]([c:8]3=[O:18])[C:13]([H:35])([H:36])[H:37])[C:12]([H:32])([H:33])[H:34])[H:27])([H:28])[H:29])([H:30])[H:31])[H:25]', inchi_key='BPBYUPQSORJAMT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438153', cmiles='[H:24][c:1]1[c:2]([c:5]2[c:7]([n:14][c:3]1[H:26])[S:22][C:11]([C:10]([N@:17]2[S:23](=[O:20])(=[O:21])[c:6]3[c:4]([n:15]([c:9](=[O:19])[n:16]([c:8]3=[O:18])[C:13]([H:35])([H:36])[H:37])[C:12]([H:32])([H:33])[H:34])[H:27])([H:28])[H:29])([H:30])[H:31])[H:25]', inchi_key='BPBYUPQSORJAMT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438154', cmiles='[H:23][c:1]1[c:3]([c:14]([c:4]([c:2]([c:10]1/[N:17]=[N:18]/[c:11]2[c:5]([c:8]3[c:9]([c:6]([c:15](=[O:19])[o:20][c:12]3[c:7]([c:13]2[O:21][H:33])[H:29])[H:28])[C:16]([H:30])([H:31])[H:32])[H:27])[H:24])[H:26])[Cl:22])[H:25]', inchi_key='GDLMUUVYXFNGIB-VHEBQXMUSA-N'), OptimizationResult(type='optimization', record_id='18438155', cmiles='[H:16][c:1]1[c:2]([c:6]([c:8]([c:7]([c:3]1[H:18])[F:13])[F:14])[C:10](=[O:12])[c:9]2[n:11][c:4]([c:5]([s:15]2)[H:20])[H:19])[H:17]', inchi_key='ZAIQZPHBPNJOKQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438156', cmiles='[H:16][c:1]1[c:2]([c:6]([c:8]([c:7]([c:3]1[H:18])[F:13])[F:14])[C:10](=[O:12])[c:9]2[n:11][c:4]([c:5]([s:15]2)[H:20])[H:19])[H:17]', inchi_key='ZAIQZPHBPNJOKQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438157', cmiles='[H:16][c:1]1[c:2]([c:6]([c:8]([c:7]([c:3]1[H:18])[F:13])[F:14])[C:10](=[O:12])[c:9]2[n:11][c:4]([c:5]([s:15]2)[H:20])[H:19])[H:17]', inchi_key='ZAIQZPHBPNJOKQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438158', cmiles='[H:16][c:1]1[c:2]([c:6]([c:8]([c:7]([c:3]1[H:18])[F:13])[F:14])[C:10](=[O:12])[c:9]2[n:11][c:4]([c:5]([s:15]2)[H:20])[H:19])[H:17]', inchi_key='ZAIQZPHBPNJOKQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438159', cmiles='[H:16][c:1]1[c:2]([c:6]([c:8]([c:7]([c:3]1[H:18])[F:13])[F:14])[C:10](=[O:12])[c:9]2[n:11][c:4]([c:5]([s:15]2)[H:20])[H:19])[H:17]', inchi_key='ZAIQZPHBPNJOKQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438160', cmiles='[H:16][c:1]1[c:2]([c:6]([c:8]([c:7]([c:3]1[H:18])[F:13])[F:14])[C:10](=[O:12])[c:9]2[n:11][c:4]([c:5]([s:15]2)[H:20])[H:19])[H:17]', inchi_key='ZAIQZPHBPNJOKQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438161', cmiles='[H:16][c:1]1[c:2]([c:6]([c:8]([c:7]([c:3]1[H:18])[F:13])[F:14])[C:10](=[O:12])[c:9]2[n:11][c:4]([c:5]([s:15]2)[H:20])[H:19])[H:17]', inchi_key='ZAIQZPHBPNJOKQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438162', cmiles='[H:16][c:1]1[c:2]([c:6]([c:8]([c:7]([c:3]1[H:18])[F:13])[F:14])[C:10](=[O:12])[c:9]2[n:11][c:4]([c:5]([s:15]2)[H:20])[H:19])[H:17]', inchi_key='ZAIQZPHBPNJOKQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438163', cmiles='[H:14][c:1]1[c:2]([n:9][c:3]([c:6]2[c:4]1[c:5]([c:7]([s:13]2)[C:8]([H:17])([H:18])[H:19])[N+:10](=[O:12])[O-:11])[H:16])[H:15]', inchi_key='LPEDCYDPGSSUBU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438164', cmiles='[H:15][c:1]1[c:2]([c:4]([c:8]([c:7]([c:3]1[H:17])[C:10](=[O:12])[c:9]2[n:11][c:5]([c:6]([s:14]2)[H:20])[H:19])[F:13])[H:18])[H:16]', inchi_key='IRMUXAKARKVRNB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438165', cmiles='[H:15][c:1]1[c:2]([c:4]([c:8]([c:7]([c:3]1[H:17])[C:10](=[O:12])[c:9]2[n:11][c:5]([c:6]([s:14]2)[H:20])[H:19])[F:13])[H:18])[H:16]', inchi_key='IRMUXAKARKVRNB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438166', cmiles='[H:15][c:1]1[c:2]([c:4]([c:8]([c:7]([c:3]1[H:17])[C:10](=[O:12])[c:9]2[n:11][c:5]([c:6]([s:14]2)[H:20])[H:19])[F:13])[H:18])[H:16]', inchi_key='IRMUXAKARKVRNB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438167', cmiles='[H:15][c:1]1[c:2]([c:4]([c:8]([c:7]([c:3]1[H:17])[C:10](=[O:12])[c:9]2[n:11][c:5]([c:6]([s:14]2)[H:20])[H:19])[F:13])[H:18])[H:16]', inchi_key='IRMUXAKARKVRNB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438168', cmiles='[H:15][c:1]1[c:2]([c:4]([c:8]([c:7]([c:3]1[H:17])[C:10](=[O:12])[c:9]2[n:11][c:5]([c:6]([s:14]2)[H:20])[H:19])[F:13])[H:18])[H:16]', inchi_key='IRMUXAKARKVRNB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438169', cmiles='[H:15][c:1]1[c:2]([c:4]([c:8]([c:7]([c:3]1[H:17])[C:10](=[O:12])[c:9]2[n:11][c:5]([c:6]([s:14]2)[H:20])[H:19])[F:13])[H:18])[H:16]', inchi_key='IRMUXAKARKVRNB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438170', cmiles='[H:12][c:1]1[c:2]([s:11][c:4]([c:3]1[N+:7](=[O:10])[O-:8])[C:5](=[O:9])[N:6]([H:14])[H:15])[H:13]', inchi_key='ZLQCTRAVERGIJA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438171', cmiles='[H:12][c:1]1[c:2]([s:11][c:4]([c:3]1[N+:7](=[O:10])[O-:8])[C:5](=[O:9])[N:6]([H:14])[H:15])[H:13]', inchi_key='ZLQCTRAVERGIJA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438172', cmiles='[H:12][c:1]1[c:2]([s:11][c:4]([c:3]1[N+:7](=[O:10])[O-:8])[C:5](=[O:9])[N:6]([H:14])[H:15])[H:13]', inchi_key='ZLQCTRAVERGIJA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438173', cmiles='[H:12][c:1]1[c:2]([s:11][c:4]([c:3]1[N+:7](=[O:10])[O-:8])[C:5](=[O:9])[N:6]([H:14])[H:15])[H:13]', inchi_key='ZLQCTRAVERGIJA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438174', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:19])/[C:9](=[N:12]/[N:14]([H:24])[c:8]2[c:7]([n:10][o:15][n:11]2)[N:13]([H:22])[H:23])/[H:21])[Br:16])[H:20])[H:18]', inchi_key='MRDNNPCWHBMDJV-LFYBBSHMSA-N'), OptimizationResult(type='optimization', record_id='18438175', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:19])/[C:9](=[N:12]/[N:14]([H:24])[c:8]2[c:7]([n:10][o:15][n:11]2)[N:13]([H:22])[H:23])/[H:21])[Br:16])[H:20])[H:18]', inchi_key='MRDNNPCWHBMDJV-LFYBBSHMSA-N'), OptimizationResult(type='optimization', record_id='18438176', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:19])/[C:9](=[N:12]/[N:14]([H:24])[c:8]2[c:7]([n:10][o:15][n:11]2)[N:13]([H:22])[H:23])/[H:21])[Br:16])[H:20])[H:18]', inchi_key='MRDNNPCWHBMDJV-LFYBBSHMSA-N'), OptimizationResult(type='optimization', record_id='18438177', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:19])/[C:9](=[N:12]/[N:14]([H:24])[c:8]2[c:7]([n:10][o:15][n:11]2)[N:13]([H:22])[H:23])/[H:21])[Br:16])[H:20])[H:18]', inchi_key='MRDNNPCWHBMDJV-LFYBBSHMSA-N'), OptimizationResult(type='optimization', record_id='18438178', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:19])/[C:9](=[N:12]/[N:14]([H:24])[c:8]2[c:7]([n:10][o:15][n:11]2)[N:13]([H:22])[H:23])/[H:21])[Br:16])[H:20])[H:18]', inchi_key='MRDNNPCWHBMDJV-LFYBBSHMSA-N'), OptimizationResult(type='optimization', record_id='18438179', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:19])/[C:9](=[N:12]/[N:14]([H:24])[c:8]2[c:7]([n:10][o:15][n:11]2)[N:13]([H:22])[H:23])/[H:21])[Br:16])[H:20])[H:18]', inchi_key='MRDNNPCWHBMDJV-LFYBBSHMSA-N'), OptimizationResult(type='optimization', record_id='18438180', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:19])/[C:9](=[N:12]/[N:14]([H:24])[c:8]2[c:7]([n:10][o:15][n:11]2)[N:13]([H:22])[H:23])/[H:21])[Br:16])[H:20])[H:18]', inchi_key='MRDNNPCWHBMDJV-LFYBBSHMSA-N'), OptimizationResult(type='optimization', record_id='18438181', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:19])/[C:9](=[N:12]/[N:14]([H:24])[c:8]2[c:7]([n:10][o:15][n:11]2)[N:13]([H:22])[H:23])/[H:21])[Br:16])[H:20])[H:18]', inchi_key='MRDNNPCWHBMDJV-LFYBBSHMSA-N'), OptimizationResult(type='optimization', record_id='18438182', cmiles='[H:20][c:1]1[c:2]([c:5]([c:12]([c:6]([c:3]1[H:22])[H:25])/[N:16]=[N:17]\\[c:13]2[c:7]([c:8]([c:14]3[c:11]([c:10]2[H:29])[c:4]([c:9]([c:15](=[O:18])[o:19]3)[H:28])[H:23])[H:27])[H:26])[H:24])[H:21]', inchi_key='CNORDUGJKVSSOA-MSUUIHNZSA-N'), OptimizationResult(type='optimization', record_id='18438183', cmiles='[H:20][c:1]1[c:2]([c:5]([c:12]([c:6]([c:3]1[H:22])[H:25])/[N:16]=[N:17]\\[c:13]2[c:7]([c:8]([c:14]3[c:11]([c:10]2[H:29])[c:4]([c:9]([c:15](=[O:18])[o:19]3)[H:28])[H:23])[H:27])[H:26])[H:24])[H:21]', inchi_key='CNORDUGJKVSSOA-MSUUIHNZSA-N'), OptimizationResult(type='optimization', record_id='18438184', cmiles='[H:15][c:1]1[c:2]([c:4]([n:9][c:6]([c:3]1[H:17])/[C:8](=[N:12]/[n:13]2[c:5]([n:10][n:11][c:7]2[S:14][H:21])[H:19])/[H:20])[H:18])[H:16]', inchi_key='JPRWONFVOMMCIS-VZUCSPMQSA-N'), OptimizationResult(type='optimization', record_id='18438185', cmiles='[H:15][c:1]1[c:2]([c:4]([n:9][c:6]([c:3]1[H:17])/[C:8](=[N:12]/[n:13]2[c:5]([n:10][n:11][c:7]2[S:14][H:21])[H:19])/[H:20])[H:18])[H:16]', inchi_key='JPRWONFVOMMCIS-VZUCSPMQSA-N'), OptimizationResult(type='optimization', record_id='18438186', cmiles='[H:15][c:1]1[c:2]([c:4]([n:9][c:6]([c:3]1[H:17])/[C:8](=[N:12]/[n:13]2[c:5]([n:10][n:11][c:7]2[S:14][H:21])[H:19])/[H:20])[H:18])[H:16]', inchi_key='JPRWONFVOMMCIS-VZUCSPMQSA-N'), OptimizationResult(type='optimization', record_id='18438187', cmiles='[H:15][c:1]1[c:2]([c:4]([n:9][c:6]([c:3]1[H:17])/[C:8](=[N:12]/[n:13]2[c:5]([n:10][n:11][c:7]2[S:14][H:21])[H:19])/[H:20])[H:18])[H:16]', inchi_key='JPRWONFVOMMCIS-VZUCSPMQSA-N'), OptimizationResult(type='optimization', record_id='18438188', cmiles='[H:14][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:11][C:9]([H:23])([H:24])[C:10]([H:25])([C:7]([H:17])([H:18])[H:19])[C:8]([H:20])([H:21])[H:22])[Cl:13])[H:16])[S:12][H:26])[H:15]', inchi_key='MAZXYLHTCOCGIV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438189', cmiles='[H:14][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:11][C:9]([H:23])([H:24])[C:10]([H:25])([C:7]([H:17])([H:18])[H:19])[C:8]([H:20])([H:21])[H:22])[Cl:13])[H:16])[S:12][H:26])[H:15]', inchi_key='MAZXYLHTCOCGIV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438190', cmiles='[H:14][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:11][C:9]([H:23])([H:24])[C:10]([H:25])([C:7]([H:17])([H:18])[H:19])[C:8]([H:20])([H:21])[H:22])[Cl:13])[H:16])[S:12][H:26])[H:15]', inchi_key='MAZXYLHTCOCGIV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438191', cmiles='[H:14][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:11][C:9]([H:23])([H:24])[C:10]([H:25])([C:7]([H:17])([H:18])[H:19])[C:8]([H:20])([H:21])[H:22])[Cl:13])[H:16])[S:12][H:26])[H:15]', inchi_key='MAZXYLHTCOCGIV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438205', cmiles='[H:14][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[O:11][C:9]([H:23])([H:24])[C:10]([H:25])([C:7]([H:17])([H:18])[H:19])[C:8]([H:20])([H:21])[H:22])[Cl:13])[H:16])[S:12][H:26])[H:15]', inchi_key='MAZXYLHTCOCGIV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438206', cmiles='[H:13][c:1]1[c:3]([n:7][c:5]([c:2]([c:4]1[Br:12])[H:14])[S:11][C:6]([F:8])([F:9])[F:10])[H:15]', inchi_key='IAOFSJBDQNMOJB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438207', cmiles='[H:13][c:1]1[c:3]([n:7][c:5]([c:2]([c:4]1[Br:12])[H:14])[S:11][C:6]([F:8])([F:9])[F:10])[H:15]', inchi_key='IAOFSJBDQNMOJB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438208', cmiles='[H:13][c:1]1[c:3]([n:7][c:5]([c:2]([c:4]1[Br:12])[H:14])[S:11][C:6]([F:8])([F:9])[F:10])[H:15]', inchi_key='IAOFSJBDQNMOJB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438209', cmiles='[H:12][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[C:7](=[O:8])[O:9][H:15])[S:10][H:16])[H:14])[Br:11])[H:13]', inchi_key='ZHNJGPZUGQGIGC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438210', cmiles='[H:12][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[C:7](=[O:8])[O:9][H:15])[S:10][H:16])[H:14])[Br:11])[H:13]', inchi_key='ZHNJGPZUGQGIGC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438211', cmiles='[H:12][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[C:7](=[O:8])[O:9][H:15])[S:10][H:16])[H:14])[Br:11])[H:13]', inchi_key='ZHNJGPZUGQGIGC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438212', cmiles='[H:12][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[C:7](=[O:8])[O:9][H:15])[S:10][H:16])[H:14])[Br:11])[H:13]', inchi_key='ZHNJGPZUGQGIGC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438213', cmiles='[H:22][c:2]1[c:3]([c:5]([c:9]([c:7]([c:4]1[H:24])/[C:12](=[N:19]/[c:11]2[c:6]([c:8]3[c:10]([s:21]2)[C:14]([C:16]([C:15]([C:13]3([H:27])[H:28])([H:31])[H:32])([H:33])[H:34])([H:29])[H:30])[C:1]#[N:18])/[H:26])[O:20][C:17]([H:35])([H:36])[H:37])[H:25])[H:23]', inchi_key='OSAXXBYMRHIZOE-YBFXNURJSA-N'), OptimizationResult(type='optimization', record_id='18438214', cmiles='[H:22][c:2]1[c:3]([c:5]([c:9]([c:7]([c:4]1[H:24])/[C:12](=[N:19]/[c:11]2[c:6]([c:8]3[c:10]([s:21]2)[C:14]([C:16]([C:15]([C:13]3([H:27])[H:28])([H:31])[H:32])([H:33])[H:34])([H:29])[H:30])[C:1]#[N:18])/[H:26])[O:20][C:17]([H:35])([H:36])[H:37])[H:25])[H:23]', inchi_key='OSAXXBYMRHIZOE-YBFXNURJSA-N'), OptimizationResult(type='optimization', record_id='18438215', cmiles='[H:22][c:2]1[c:3]([c:5]([c:9]([c:7]([c:4]1[H:24])/[C:12](=[N:19]/[c:11]2[c:6]([c:8]3[c:10]([s:21]2)[C:14]([C:16]([C:15]([C:13]3([H:27])[H:28])([H:31])[H:32])([H:33])[H:34])([H:29])[H:30])[C:1]#[N:18])/[H:26])[O:20][C:17]([H:35])([H:36])[H:37])[H:25])[H:23]', inchi_key='OSAXXBYMRHIZOE-YBFXNURJSA-N'), OptimizationResult(type='optimization', record_id='18438216', cmiles='[H:22][c:2]1[c:3]([c:5]([c:9]([c:7]([c:4]1[H:24])/[C:12](=[N:19]/[c:11]2[c:6]([c:8]3[c:10]([s:21]2)[C:14]([C:16]([C:15]([C:13]3([H:27])[H:28])([H:31])[H:32])([H:33])[H:34])([H:29])[H:30])[C:1]#[N:18])/[H:26])[O:20][C:17]([H:35])([H:36])[H:37])[H:25])[H:23]', inchi_key='OSAXXBYMRHIZOE-YBFXNURJSA-N'), OptimizationResult(type='optimization', record_id='18438217', cmiles='[H:22][c:2]1[c:3]([c:5]([c:9]([c:7]([c:4]1[H:24])/[C:12](=[N:19]/[c:11]2[c:6]([c:8]3[c:10]([s:21]2)[C:14]([C:16]([C:15]([C:13]3([H:27])[H:28])([H:31])[H:32])([H:33])[H:34])([H:29])[H:30])[C:1]#[N:18])/[H:26])[O:20][C:17]([H:35])([H:36])[H:37])[H:25])[H:23]', inchi_key='OSAXXBYMRHIZOE-YBFXNURJSA-N'), OptimizationResult(type='optimization', record_id='18438218', cmiles='[H:11][C:4]([H:12])([H:13])[c:2]1[c:1]([c:3]([s:10][n:5]1)[N:6]([H:14])[H:15])[N+:7](=[O:9])[O-:8]', inchi_key='PYRFGRMRABTCCV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438219', cmiles='[H:15][c:1]1[c:3]([c:6]([c:2]([c:5]2[c:4]1[O:12][C:9]([O:13]2)([H:21])[H:22])[H:16])[Br:14])[C@@:10]3([C:7]([C:8]([N:11]3[H:24])([H:19])[H:20])([H:17])[H:18])[H:23]', inchi_key='HEMYHFUZRJLLJV-QMMMGPOBSA-N'), OptimizationResult(type='optimization', record_id='18438220', cmiles='[H:12][c:1]1[c:2]([c:4]([c:5]([n:9][c:3]1[H:14])[C:6](=[O:10])[C:7]([H:15])([H:16])[H:17])[O:11][C:8]([H:18])([H:19])[H:20])[H:13]', inchi_key='IGYMEVBVNSGNSD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438221', cmiles='[H:12][c:1]1[c:2]([c:4]([c:5]([n:9][c:3]1[H:14])[C:6](=[O:10])[C:7]([H:15])([H:16])[H:17])[O:11][C:8]([H:18])([H:19])[H:20])[H:13]', inchi_key='IGYMEVBVNSGNSD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438222', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[N+:8](=[O:10])[O-:9])[O:11][C:7]([F:13])([F:14])[F:15])[H:18])[F:12])[H:17]', inchi_key='VBATUITURYFZIU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438223', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[N+:8](=[O:10])[O-:9])[O:11][C:7]([F:13])([F:14])[F:15])[H:18])[F:12])[H:17]', inchi_key='VBATUITURYFZIU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438224', cmiles='[H:14][c:1]1[c:3]([c:5]([c:2]([c:4]([c:6]1[O:13][C:9]([H:19])([H:20])[H:21])[C:8]([H:16])([H:17])[H:18])[H:15])[N:10]([H:22])[H:23])[C:7](=[O:11])[O:12][H:24]', inchi_key='ALKNPNFSCRLOBJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438225', cmiles='[H:14][c:1]1[c:3]([c:5]([c:2]([c:4]([c:6]1[O:13][C:9]([H:19])([H:20])[H:21])[C:8]([H:16])([H:17])[H:18])[H:15])[N:10]([H:22])[H:23])[C:7](=[O:11])[O:12][H:24]', inchi_key='ALKNPNFSCRLOBJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438226', cmiles='[H:14][c:1]1[c:3]([c:5]([c:2]([c:4]([c:6]1[O:13][C:9]([H:19])([H:20])[H:21])[C:8]([H:16])([H:17])[H:18])[H:15])[N:10]([H:22])[H:23])[C:7](=[O:11])[O:12][H:24]', inchi_key='ALKNPNFSCRLOBJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438227', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438228', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438229', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438230', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438231', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438232', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438233', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438234', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438235', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438236', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438237', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438238', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438239', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438240', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438241', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438242', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438243', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438244', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438245', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438246', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438247', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438248', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438249', cmiles='[H:25][c:1]1[c:2]([c:12]([c:7]([c:11]([c:10]1[C:17]([H:32])([H:33])[H:34])[C:18]([H:35])([H:36])[H:37])[H:31])[N:21]([H:41])/[N:20]=[C:16](\\[c:9]2[c:5]([c:8]3[c:6]([c:14]([c:4]([c:3]([c:13]3[o:23][c:15]2=[O:22])[H:27])[H:28])[Br:24])[H:30])[H:29])/[C:19]([H:38])([H:39])[H:40])[H:26]', inchi_key='IRFOIHZVCUVKOV-BKUYFWCQSA-N'), OptimizationResult(type='optimization', record_id='18438250', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:14])[H:18])[Cl:15])[H:17]', inchi_key='FNYCQXTWXYWTOH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438251', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:14])[H:18])[Cl:15])[H:17]', inchi_key='FNYCQXTWXYWTOH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438252', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:14])[H:18])[Cl:15])[H:17]', inchi_key='FNYCQXTWXYWTOH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438253', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:14])[H:18])[Cl:15])[H:17]', inchi_key='FNYCQXTWXYWTOH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438254', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:14])[H:18])[Cl:15])[H:17]', inchi_key='FNYCQXTWXYWTOH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438255', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:14])[H:18])[Cl:15])[H:17]', inchi_key='FNYCQXTWXYWTOH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438306', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:14])[H:18])[Cl:15])[H:17]', inchi_key='FNYCQXTWXYWTOH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438307', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:14])[H:18])[Cl:15])[H:17]', inchi_key='FNYCQXTWXYWTOH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438308', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[O:13][C:10]([H:24])([H:25])[C:9]2([O:11][C:7]([C:8]([O:12]2)([H:21])[H:22])([H:19])[H:20])[H:23])[F:14])[H:18])[Cl:15])[H:17]', inchi_key='FNYCQXTWXYWTOH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438309', cmiles='[H:25][c:1]1[c:2]([c:7]([c:10]2[c:9]([c:4]1[H:28])[N@@:17]([C:14]([C:15]([O:21]2)([H:33])[H:34])([H:31])[H:32])[S:24](=[O:19])(=[O:20])[c:12]3[c:6]([c:8]([c:3]([c:5]([c:11]3[O:22][H:38])[H:29])[H:27])[C:16]([H:35])([H:36])[H:37])[H:30])[C:13](=[O:18])[O:23][H:39])[H:26]', inchi_key='BXIKUHGWBXRTJF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438310', cmiles='[H:25][c:1]1[c:2]([c:7]([c:10]2[c:9]([c:4]1[H:28])[N@@:17]([C:14]([C:15]([O:21]2)([H:33])[H:34])([H:31])[H:32])[S:24](=[O:19])(=[O:20])[c:12]3[c:6]([c:8]([c:3]([c:5]([c:11]3[O:22][H:38])[H:29])[H:27])[C:16]([H:35])([H:36])[H:37])[H:30])[C:13](=[O:18])[O:23][H:39])[H:26]', inchi_key='BXIKUHGWBXRTJF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438311', cmiles='[H:25][c:1]1[c:2]([c:7]([c:10]2[c:9]([c:4]1[H:28])[N@@:17]([C:14]([C:15]([O:21]2)([H:33])[H:34])([H:31])[H:32])[S:24](=[O:19])(=[O:20])[c:12]3[c:6]([c:8]([c:3]([c:5]([c:11]3[O:22][H:38])[H:29])[H:27])[C:16]([H:35])([H:36])[H:37])[H:30])[C:13](=[O:18])[O:23][H:39])[H:26]', inchi_key='BXIKUHGWBXRTJF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438312', cmiles='[H:25][c:1]1[c:2]([c:7]([c:10]2[c:9]([c:4]1[H:28])[N@@:17]([C:14]([C:15]([O:21]2)([H:33])[H:34])([H:31])[H:32])[S:24](=[O:19])(=[O:20])[c:12]3[c:6]([c:8]([c:3]([c:5]([c:11]3[O:22][H:38])[H:29])[H:27])[C:16]([H:35])([H:36])[H:37])[H:30])[C:13](=[O:18])[O:23][H:39])[H:26]', inchi_key='BXIKUHGWBXRTJF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438313', cmiles='[H:25][c:1]1[c:2]([c:7]([c:10]2[c:9]([c:4]1[H:28])[N@@:17]([C:14]([C:15]([O:21]2)([H:33])[H:34])([H:31])[H:32])[S:24](=[O:19])(=[O:20])[c:12]3[c:6]([c:8]([c:3]([c:5]([c:11]3[O:22][H:38])[H:29])[H:27])[C:16]([H:35])([H:36])[H:37])[H:30])[C:13](=[O:18])[O:23][H:39])[H:26]', inchi_key='BXIKUHGWBXRTJF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438314', cmiles='[H:25][c:1]1[c:2]([c:7]([c:10]2[c:9]([c:4]1[H:28])[N@@:17]([C:14]([C:15]([O:21]2)([H:33])[H:34])([H:31])[H:32])[S:24](=[O:19])(=[O:20])[c:12]3[c:6]([c:8]([c:3]([c:5]([c:11]3[O:22][H:38])[H:29])[H:27])[C:16]([H:35])([H:36])[H:37])[H:30])[C:13](=[O:18])[O:23][H:39])[H:26]', inchi_key='BXIKUHGWBXRTJF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438315', cmiles='[H:25][c:1]1[c:2]([c:7]([c:10]2[c:9]([c:4]1[H:28])[N@@:17]([C:14]([C:15]([O:21]2)([H:33])[H:34])([H:31])[H:32])[S:24](=[O:19])(=[O:20])[c:12]3[c:6]([c:8]([c:3]([c:5]([c:11]3[O:22][H:38])[H:29])[H:27])[C:16]([H:35])([H:36])[H:37])[H:30])[C:13](=[O:18])[O:23][H:39])[H:26]', inchi_key='BXIKUHGWBXRTJF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438316', cmiles='[H:25][c:1]1[c:2]([c:7]([c:10]2[c:9]([c:4]1[H:28])[N@@:17]([C:14]([C:15]([O:21]2)([H:33])[H:34])([H:31])[H:32])[S:24](=[O:19])(=[O:20])[c:12]3[c:6]([c:8]([c:3]([c:5]([c:11]3[O:22][H:38])[H:29])[H:27])[C:16]([H:35])([H:36])[H:37])[H:30])[C:13](=[O:18])[O:23][H:39])[H:26]', inchi_key='BXIKUHGWBXRTJF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438317', cmiles='[H:25][c:1]1[c:2]([c:7]([c:10]2[c:9]([c:4]1[H:28])[N@@:17]([C:14]([C:15]([O:21]2)([H:33])[H:34])([H:31])[H:32])[S:24](=[O:19])(=[O:20])[c:12]3[c:6]([c:8]([c:3]([c:5]([c:11]3[O:22][H:38])[H:29])[H:27])[C:16]([H:35])([H:36])[H:37])[H:30])[C:13](=[O:18])[O:23][H:39])[H:26]', inchi_key='BXIKUHGWBXRTJF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438318', cmiles='[H:25][c:1]1[c:2]([c:7]([c:10]2[c:9]([c:4]1[H:28])[N@@:17]([C:14]([C:15]([O:21]2)([H:33])[H:34])([H:31])[H:32])[S:24](=[O:19])(=[O:20])[c:12]3[c:6]([c:8]([c:3]([c:5]([c:11]3[O:22][H:38])[H:29])[H:27])[C:16]([H:35])([H:36])[H:37])[H:30])[C:13](=[O:18])[O:23][H:39])[H:26]', inchi_key='BXIKUHGWBXRTJF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438319', cmiles='[H:25][c:1]1[c:2]([c:7]([c:10]2[c:9]([c:4]1[H:28])[N@@:17]([C:14]([C:15]([O:21]2)([H:33])[H:34])([H:31])[H:32])[S:24](=[O:19])(=[O:20])[c:12]3[c:6]([c:8]([c:3]([c:5]([c:11]3[O:22][H:38])[H:29])[H:27])[C:16]([H:35])([H:36])[H:37])[H:30])[C:13](=[O:18])[O:23][H:39])[H:26]', inchi_key='BXIKUHGWBXRTJF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438320', cmiles='[H:25][c:1]1[c:2]([c:7]([c:10]2[c:9]([c:4]1[H:28])[N@@:17]([C:14]([C:15]([O:21]2)([H:33])[H:34])([H:31])[H:32])[S:24](=[O:19])(=[O:20])[c:12]3[c:6]([c:8]([c:3]([c:5]([c:11]3[O:22][H:38])[H:29])[H:27])[C:16]([H:35])([H:36])[H:37])[H:30])[C:13](=[O:18])[O:23][H:39])[H:26]', inchi_key='BXIKUHGWBXRTJF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438321', cmiles='[H:25][c:1]1[c:2]([c:7]([c:10]2[c:9]([c:4]1[H:28])[N@@:17]([C:14]([C:15]([O:21]2)([H:33])[H:34])([H:31])[H:32])[S:24](=[O:19])(=[O:20])[c:12]3[c:6]([c:8]([c:3]([c:5]([c:11]3[O:22][H:38])[H:29])[H:27])[C:16]([H:35])([H:36])[H:37])[H:30])[C:13](=[O:18])[O:23][H:39])[H:26]', inchi_key='BXIKUHGWBXRTJF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438322', cmiles='[H:25][c:1]1[c:2]([c:7]([c:10]2[c:9]([c:4]1[H:28])[N@@:17]([C:14]([C:15]([O:21]2)([H:33])[H:34])([H:31])[H:32])[S:24](=[O:19])(=[O:20])[c:12]3[c:6]([c:8]([c:3]([c:5]([c:11]3[O:22][H:38])[H:29])[H:27])[C:16]([H:35])([H:36])[H:37])[H:30])[C:13](=[O:18])[O:23][H:39])[H:26]', inchi_key='BXIKUHGWBXRTJF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438323', cmiles='[H:25][c:1]1[c:2]([c:7]([c:10]2[c:9]([c:4]1[H:28])[N@@:17]([C:14]([C:15]([O:21]2)([H:33])[H:34])([H:31])[H:32])[S:24](=[O:19])(=[O:20])[c:12]3[c:6]([c:8]([c:3]([c:5]([c:11]3[O:22][H:38])[H:29])[H:27])[C:16]([H:35])([H:36])[H:37])[H:30])[C:13](=[O:18])[O:23][H:39])[H:26]', inchi_key='BXIKUHGWBXRTJF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438324', cmiles='[H:25][c:1]1[c:2]([c:7]([c:10]2[c:9]([c:4]1[H:28])[N@@:17]([C:14]([C:15]([O:21]2)([H:33])[H:34])([H:31])[H:32])[S:24](=[O:19])(=[O:20])[c:12]3[c:6]([c:8]([c:3]([c:5]([c:11]3[O:22][H:38])[H:29])[H:27])[C:16]([H:35])([H:36])[H:37])[H:30])[C:13](=[O:18])[O:23][H:39])[H:26]', inchi_key='BXIKUHGWBXRTJF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438325', cmiles='[H:25][c:1]1[c:2]([c:7]([c:10]2[c:9]([c:4]1[H:28])[N@@:17]([C:14]([C:15]([O:21]2)([H:33])[H:34])([H:31])[H:32])[S:24](=[O:19])(=[O:20])[c:12]3[c:6]([c:8]([c:3]([c:5]([c:11]3[O:22][H:38])[H:29])[H:27])[C:16]([H:35])([H:36])[H:37])[H:30])[C:13](=[O:18])[O:23][H:39])[H:26]', inchi_key='BXIKUHGWBXRTJF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438326', cmiles='[H:25][c:1]1[c:2]([c:7]([c:10]2[c:9]([c:4]1[H:28])[N@@:17]([C:14]([C:15]([O:21]2)([H:33])[H:34])([H:31])[H:32])[S:24](=[O:19])(=[O:20])[c:12]3[c:6]([c:8]([c:3]([c:5]([c:11]3[O:22][H:38])[H:29])[H:27])[C:16]([H:35])([H:36])[H:37])[H:30])[C:13](=[O:18])[O:23][H:39])[H:26]', inchi_key='BXIKUHGWBXRTJF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438327', cmiles='[H:25][c:1]1[c:2]([c:5]([c:10]2[c:9]([c:4]1[H:28])[n:19][c:13]([n:21]2[C:18]([H:38])([H:39])[H:40])[N:22]([H:41])/[N:20]=[C:14]/3\\[c:8]4[c:3]([c:6]([c:12]([c:7]([c:11]4[O:23][C:17]([C:16]([C:15]3([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:31])[Br:24])[H:30])[H:27])[H:29])[H:26]', inchi_key='CYIFEXGUDFCMEI-STZFKDTASA-N'), OptimizationResult(type='optimization', record_id='18438328', cmiles='[H:25][c:1]1[c:2]([c:5]([c:10]2[c:9]([c:4]1[H:28])[n:19][c:13]([n:21]2[C:18]([H:38])([H:39])[H:40])[N:22]([H:41])/[N:20]=[C:14]/3\\[c:8]4[c:3]([c:6]([c:12]([c:7]([c:11]4[O:23][C:17]([C:16]([C:15]3([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:31])[Br:24])[H:30])[H:27])[H:29])[H:26]', inchi_key='CYIFEXGUDFCMEI-STZFKDTASA-N'), OptimizationResult(type='optimization', record_id='18438329', cmiles='[H:25][c:1]1[c:2]([c:5]([c:10]2[c:9]([c:4]1[H:28])[n:19][c:13]([n:21]2[C:18]([H:38])([H:39])[H:40])[N:22]([H:41])/[N:20]=[C:14]/3\\[c:8]4[c:3]([c:6]([c:12]([c:7]([c:11]4[O:23][C:17]([C:16]([C:15]3([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:31])[Br:24])[H:30])[H:27])[H:29])[H:26]', inchi_key='CYIFEXGUDFCMEI-STZFKDTASA-N'), OptimizationResult(type='optimization', record_id='18438330', cmiles='[H:25][c:1]1[c:2]([c:5]([c:10]2[c:9]([c:4]1[H:28])[n:19][c:13]([n:21]2[C:18]([H:38])([H:39])[H:40])[N:22]([H:41])/[N:20]=[C:14]/3\\[c:8]4[c:3]([c:6]([c:12]([c:7]([c:11]4[O:23][C:17]([C:16]([C:15]3([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:31])[Br:24])[H:30])[H:27])[H:29])[H:26]', inchi_key='CYIFEXGUDFCMEI-STZFKDTASA-N'), OptimizationResult(type='optimization', record_id='18438331', cmiles='[H:25][c:1]1[c:2]([c:5]([c:10]2[c:9]([c:4]1[H:28])[n:19][c:13]([n:21]2[C:18]([H:38])([H:39])[H:40])[N:22]([H:41])/[N:20]=[C:14]/3\\[c:8]4[c:3]([c:6]([c:12]([c:7]([c:11]4[O:23][C:17]([C:16]([C:15]3([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:31])[Br:24])[H:30])[H:27])[H:29])[H:26]', inchi_key='CYIFEXGUDFCMEI-STZFKDTASA-N'), OptimizationResult(type='optimization', record_id='18438332', cmiles='[H:25][c:1]1[c:2]([c:5]([c:10]2[c:9]([c:4]1[H:28])[n:19][c:13]([n:21]2[C:18]([H:38])([H:39])[H:40])[N:22]([H:41])/[N:20]=[C:14]/3\\[c:8]4[c:3]([c:6]([c:12]([c:7]([c:11]4[O:23][C:17]([C:16]([C:15]3([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:31])[Br:24])[H:30])[H:27])[H:29])[H:26]', inchi_key='CYIFEXGUDFCMEI-STZFKDTASA-N'), OptimizationResult(type='optimization', record_id='18438333', cmiles='[H:25][c:1]1[c:2]([c:5]([c:10]2[c:9]([c:4]1[H:28])[n:19][c:13]([n:21]2[C:18]([H:38])([H:39])[H:40])[N:22]([H:41])/[N:20]=[C:14]/3\\[c:8]4[c:3]([c:6]([c:12]([c:7]([c:11]4[O:23][C:17]([C:16]([C:15]3([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:31])[Br:24])[H:30])[H:27])[H:29])[H:26]', inchi_key='CYIFEXGUDFCMEI-STZFKDTASA-N'), OptimizationResult(type='optimization', record_id='18438334', cmiles='[H:25][c:1]1[c:2]([c:5]([c:10]2[c:9]([c:4]1[H:28])[n:19][c:13]([n:21]2[C:18]([H:38])([H:39])[H:40])[N:22]([H:41])/[N:20]=[C:14]/3\\[c:8]4[c:3]([c:6]([c:12]([c:7]([c:11]4[O:23][C:17]([C:16]([C:15]3([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:31])[Br:24])[H:30])[H:27])[H:29])[H:26]', inchi_key='CYIFEXGUDFCMEI-STZFKDTASA-N'), OptimizationResult(type='optimization', record_id='18438335', cmiles='[H:13][c:1]1[c:3]([n:7][c:5]([c:2]([c:4]1[Cl:12])[H:14])[S:11][C:6]([F:8])([F:9])[F:10])[H:15]', inchi_key='OBXCSMGTBJVCNA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438336', cmiles='[H:13][c:1]1[c:3]([n:7][c:5]([c:2]([c:4]1[Cl:12])[H:14])[S:11][C:6]([F:8])([F:9])[F:10])[H:15]', inchi_key='OBXCSMGTBJVCNA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438338', cmiles='[H:13][c:1]1[c:3]([n:7][c:5]([c:2]([c:4]1[Cl:12])[H:14])[S:11][C:6]([F:8])([F:9])[F:10])[H:15]', inchi_key='OBXCSMGTBJVCNA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438341', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]2[c:11]([c:6]1[H:25])[N:17]([C:14]([C:15]([S:19]2)([H:30])[H:31])([H:28])[H:29])[C:13](=[O:18])[c:9]3[c:4]([c:3]([c:5]([c:10]([c:8]3[H:27])[C:16]([H:32])([H:33])[H:34])[H:24])[H:22])[H:23])[H:26])[H:21]', inchi_key='VMPNRQAXCXSEDV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438343', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]2[c:11]([c:6]1[H:25])[N:17]([C:14]([C:15]([S:19]2)([H:30])[H:31])([H:28])[H:29])[C:13](=[O:18])[c:9]3[c:4]([c:3]([c:5]([c:10]([c:8]3[H:27])[C:16]([H:32])([H:33])[H:34])[H:24])[H:22])[H:23])[H:26])[H:21]', inchi_key='VMPNRQAXCXSEDV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438344', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]2[c:11]([c:6]1[H:25])[N:17]([C:14]([C:15]([S:19]2)([H:30])[H:31])([H:28])[H:29])[C:13](=[O:18])[c:9]3[c:4]([c:3]([c:5]([c:10]([c:8]3[H:27])[C:16]([H:32])([H:33])[H:34])[H:24])[H:22])[H:23])[H:26])[H:21]', inchi_key='VMPNRQAXCXSEDV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438345', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]2[c:11]([c:6]1[H:25])[N:17]([C:14]([C:15]([S:19]2)([H:30])[H:31])([H:28])[H:29])[C:13](=[O:18])[c:9]3[c:4]([c:3]([c:5]([c:10]([c:8]3[H:27])[C:16]([H:32])([H:33])[H:34])[H:24])[H:22])[H:23])[H:26])[H:21]', inchi_key='VMPNRQAXCXSEDV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438346', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]2[c:11]([c:6]1[H:25])[N:17]([C:14]([C:15]([S:19]2)([H:30])[H:31])([H:28])[H:29])[C:13](=[O:18])[c:9]3[c:4]([c:3]([c:5]([c:10]([c:8]3[H:27])[C:16]([H:32])([H:33])[H:34])[H:24])[H:22])[H:23])[H:26])[H:21]', inchi_key='VMPNRQAXCXSEDV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438347', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]2[c:11]([c:6]1[H:25])[N:17]([C:14]([C:15]([S:19]2)([H:30])[H:31])([H:28])[H:29])[C:13](=[O:18])[c:9]3[c:4]([c:3]([c:5]([c:10]([c:8]3[H:27])[C:16]([H:32])([H:33])[H:34])[H:24])[H:22])[H:23])[H:26])[H:21]', inchi_key='VMPNRQAXCXSEDV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438348', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]2[c:11]([c:6]1[H:25])[N:17]([C:14]([C:15]([S:19]2)([H:30])[H:31])([H:28])[H:29])[C:13](=[O:18])[c:9]3[c:4]([c:3]([c:5]([c:10]([c:8]3[H:27])[C:16]([H:32])([H:33])[H:34])[H:24])[H:22])[H:23])[H:26])[H:21]', inchi_key='VMPNRQAXCXSEDV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438349', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]2[c:11]([c:6]1[H:25])[N:17]([C:14]([C:15]([S:19]2)([H:30])[H:31])([H:28])[H:29])[C:13](=[O:18])[c:9]3[c:4]([c:3]([c:5]([c:10]([c:8]3[H:27])[C:16]([H:32])([H:33])[H:34])[H:24])[H:22])[H:23])[H:26])[H:21]', inchi_key='VMPNRQAXCXSEDV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438350', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]2[c:11]([c:6]1[H:25])[N:17]([C:14]([C:15]([S:19]2)([H:30])[H:31])([H:28])[H:29])[C:13](=[O:18])[c:9]3[c:4]([c:3]([c:5]([c:10]([c:8]3[H:27])[C:16]([H:32])([H:33])[H:34])[H:24])[H:22])[H:23])[H:26])[H:21]', inchi_key='VMPNRQAXCXSEDV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438351', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]2[c:11]([c:6]1[H:25])[N:17]([C:14]([C:15]([S:19]2)([H:30])[H:31])([H:28])[H:29])[C:13](=[O:18])[c:9]3[c:4]([c:3]([c:5]([c:10]([c:8]3[H:27])[C:16]([H:32])([H:33])[H:34])[H:24])[H:22])[H:23])[H:26])[H:21]', inchi_key='VMPNRQAXCXSEDV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438352', cmiles='[H:14][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:16])[S:13][C:8]([H:21])([H:22])[C:7]([H:18])([H:19])[H:20])[H:17])[C:9]([F:10])([F:11])[F:12])[H:15]', inchi_key='HIAGQDRTGGYWJW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438353', cmiles='[H:14][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:16])[S:13][C:8]([H:21])([H:22])[C:7]([H:18])([H:19])[H:20])[H:17])[C:9]([F:10])([F:11])[F:12])[H:15]', inchi_key='HIAGQDRTGGYWJW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438354', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:19])[O:15][H:25])[H:20])/[C:9](=[N:12]/[N:13]([H:24])[C:8]2=[N:11][C:7](=[O:14])[C:10]([S:16]2)([H:22])[H:23])/[H:21])[H:18]', inchi_key='DGHCJBIQTOAXJQ-VZUCSPMQSA-N'), OptimizationResult(type='optimization', record_id='18438355', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:19])[O:15][H:25])[H:20])/[C:9](=[N:12]/[N:13]([H:24])[C:8]2=[N:11][C:7](=[O:14])[C:10]([S:16]2)([H:22])[H:23])/[H:21])[H:18]', inchi_key='DGHCJBIQTOAXJQ-VZUCSPMQSA-N'), OptimizationResult(type='optimization', record_id='18438356', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:19])[O:15][H:25])[H:20])/[C:9](=[N:12]/[N:13]([H:24])[C:8]2=[N:11][C:7](=[O:14])[C:10]([S:16]2)([H:22])[H:23])/[H:21])[H:18]', inchi_key='DGHCJBIQTOAXJQ-VZUCSPMQSA-N'), OptimizationResult(type='optimization', record_id='18438357', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:19])[O:15][H:25])[H:20])/[C:9](=[N:12]/[N:13]([H:24])[C:8]2=[N:11][C:7](=[O:14])[C:10]([S:16]2)([H:22])[H:23])/[H:21])[H:18]', inchi_key='DGHCJBIQTOAXJQ-VZUCSPMQSA-N'), OptimizationResult(type='optimization', record_id='18438358', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:19])[O:15][H:25])[H:20])/[C:9](=[N:12]/[N:13]([H:24])[C:8]2=[N:11][C:7](=[O:14])[C:10]([S:16]2)([H:22])[H:23])/[H:21])[H:18]', inchi_key='DGHCJBIQTOAXJQ-VZUCSPMQSA-N'), OptimizationResult(type='optimization', record_id='18438359', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:19])[O:15][H:25])[H:20])/[C:9](=[N:12]/[N:13]([H:24])[C:8]2=[N:11][C:7](=[O:14])[C:10]([S:16]2)([H:22])[H:23])/[H:21])[H:18]', inchi_key='DGHCJBIQTOAXJQ-VZUCSPMQSA-N'), OptimizationResult(type='optimization', record_id='18438360', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:19])[O:15][H:25])[H:20])/[C:9](=[N:12]/[N:13]([H:24])[C:8]2=[N:11][C:7](=[O:14])[C:10]([S:16]2)([H:22])[H:23])/[H:21])[H:18]', inchi_key='DGHCJBIQTOAXJQ-VZUCSPMQSA-N'), OptimizationResult(type='optimization', record_id='18438361', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:19])[O:15][H:25])[H:20])/[C:9](=[N:12]/[N:13]([H:24])[C:8]2=[N:11][C:7](=[O:14])[C:10]([S:16]2)([H:22])[H:23])/[H:21])[H:18]', inchi_key='DGHCJBIQTOAXJQ-VZUCSPMQSA-N'), OptimizationResult(type='optimization', record_id='18438362', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:19])[O:15][H:25])[H:20])/[C:9](=[N:12]/[N:13]([H:24])[C:8]2=[N:11][C:7](=[O:14])[C:10]([S:16]2)([H:22])[H:23])/[H:21])[H:18]', inchi_key='DGHCJBIQTOAXJQ-VZUCSPMQSA-N'), OptimizationResult(type='optimization', record_id='18438363', cmiles='[H:17][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:19])[O:15][H:25])[H:20])/[C:9](=[N:12]/[N:13]([H:24])[C:8]2=[N:11][C:7](=[O:14])[C:10]([S:16]2)([H:22])[H:23])/[H:21])[H:18]', inchi_key='DGHCJBIQTOAXJQ-VZUCSPMQSA-N'), OptimizationResult(type='optimization', record_id='18438364', cmiles='[H:13][c:1]1[c:2]([c:4]([n:7][c:5]([c:3]1[H:15])[I:12])[S:11][C:6]([F:8])([F:9])[F:10])[H:14]', inchi_key='VNBYRRQUVLSYTB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438365', cmiles='[H:13][c:1]1[c:2]([c:4]([n:7][c:5]([c:3]1[H:15])[I:12])[S:11][C:6]([F:8])([F:9])[F:10])[H:14]', inchi_key='VNBYRRQUVLSYTB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438366', cmiles='[H:13][c:1]1[c:2]([c:4]([n:7][c:5]([c:3]1[H:15])[I:12])[S:11][C:6]([F:8])([F:9])[F:10])[H:14]', inchi_key='VNBYRRQUVLSYTB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438367', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]2[c:10]([c:5]1[H:24])[N:16]([C:14]([C:15]([S:19]2)([H:30])[H:31])([H:28])[H:29])[C:13](=[O:17])[c:9]3[c:4]([c:3]([c:6]([c:11]([c:8]3[H:27])[F:18])[H:25])[H:22])[H:23])[H:26])[H:21]', inchi_key='ZXXUHSTUAWKJDG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438368', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]2[c:10]([c:5]1[H:24])[N:16]([C:14]([C:15]([S:19]2)([H:30])[H:31])([H:28])[H:29])[C:13](=[O:17])[c:9]3[c:4]([c:3]([c:6]([c:11]([c:8]3[H:27])[F:18])[H:25])[H:22])[H:23])[H:26])[H:21]', inchi_key='ZXXUHSTUAWKJDG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438369', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]2[c:10]([c:5]1[H:24])[N:16]([C:14]([C:15]([S:19]2)([H:30])[H:31])([H:28])[H:29])[C:13](=[O:17])[c:9]3[c:4]([c:3]([c:6]([c:11]([c:8]3[H:27])[F:18])[H:25])[H:22])[H:23])[H:26])[H:21]', inchi_key='ZXXUHSTUAWKJDG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438370', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]2[c:10]([c:5]1[H:24])[N:16]([C:14]([C:15]([S:19]2)([H:30])[H:31])([H:28])[H:29])[C:13](=[O:17])[c:9]3[c:4]([c:3]([c:6]([c:11]([c:8]3[H:27])[F:18])[H:25])[H:22])[H:23])[H:26])[H:21]', inchi_key='ZXXUHSTUAWKJDG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438371', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]2[c:10]([c:5]1[H:24])[N:16]([C:14]([C:15]([S:19]2)([H:30])[H:31])([H:28])[H:29])[C:13](=[O:17])[c:9]3[c:4]([c:3]([c:6]([c:11]([c:8]3[H:27])[F:18])[H:25])[H:22])[H:23])[H:26])[H:21]', inchi_key='ZXXUHSTUAWKJDG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438372', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]2[c:10]([c:5]1[H:24])[N:16]([C:14]([C:15]([S:19]2)([H:30])[H:31])([H:28])[H:29])[C:13](=[O:17])[c:9]3[c:4]([c:3]([c:6]([c:11]([c:8]3[H:27])[F:18])[H:25])[H:22])[H:23])[H:26])[H:21]', inchi_key='ZXXUHSTUAWKJDG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438394', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]2[c:10]([c:5]1[H:24])[N:16]([C:14]([C:15]([S:19]2)([H:30])[H:31])([H:28])[H:29])[C:13](=[O:17])[c:9]3[c:4]([c:3]([c:6]([c:11]([c:8]3[H:27])[F:18])[H:25])[H:22])[H:23])[H:26])[H:21]', inchi_key='ZXXUHSTUAWKJDG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438395', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]2[c:10]([c:5]1[H:24])[N:16]([C:14]([C:15]([S:19]2)([H:30])[H:31])([H:28])[H:29])[C:13](=[O:17])[c:9]3[c:4]([c:3]([c:6]([c:11]([c:8]3[H:27])[F:18])[H:25])[H:22])[H:23])[H:26])[H:21]', inchi_key='ZXXUHSTUAWKJDG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438396', cmiles='[H:20][c:1]1[c:2]([c:7]([c:12]2[c:10]([c:5]1[H:24])[N:16]([C:14]([C:15]([S:19]2)([H:30])[H:31])([H:28])[H:29])[C:13](=[O:17])[c:9]3[c:4]([c:3]([c:6]([c:11]([c:8]3[H:27])[F:18])[H:25])[H:22])[H:23])[H:26])[H:21]', inchi_key='ZXXUHSTUAWKJDG-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438397', cmiles='[H:12][c:1]1[c:4]([c:2]([c:6]([c:3]([c:5]1[S:10][C:8]([H:18])([H:19])[C:7]([H:15])([H:16])[H:17])[H:14])[Cl:11])[H:13])[F:9]', inchi_key='FTTKTXSDAXLUBM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438398', cmiles='[H:12][c:1]1[c:4]([c:2]([c:6]([c:3]([c:5]1[S:10][C:8]([H:18])([H:19])[C:7]([H:15])([H:16])[H:17])[H:14])[Cl:11])[H:13])[F:9]', inchi_key='FTTKTXSDAXLUBM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438399', cmiles='[H:23][c:1]1[c:3]([c:7]([c:11]([c:8]([c:4]1[H:26])[H:30])[N:17]\\2[C:13](=[O:18])[C:15]([S:21]/[C:14]2=[N:16]\\[S:22](=[O:19])(=[O:20])[c:12]3[c:9]([c:5]([c:2]([c:6]([c:10]3[H:32])[H:28])[H:24])[H:27])[H:31])([H:33])[H:34])[H:29])[H:25]', inchi_key='ZAGPLLBFUWFUQH-NXVVXOECSA-N'), OptimizationResult(type='optimization', record_id='18438400', cmiles='[H:16][c:2]1[c:3]([c:7]([c:4]([c:6]([c:5]1[C@@:9]([H:21])([C:8]([H:19])([H:20])[C:1]#[N:10])[N:11]([H:22])[H:23])[N+:12](=[O:14])[O-:13])[H:18])[F:15])[H:17]', inchi_key='GKUCRKARRYLTMY-MRVPVSSYSA-N'), OptimizationResult(type='optimization', record_id='18438401', cmiles='[H:16][c:2]1[c:3]([c:7]([c:4]([c:6]([c:5]1[C@@:9]([H:21])([C:8]([H:19])([H:20])[C:1]#[N:10])[N:11]([H:22])[H:23])[N+:12](=[O:14])[O-:13])[H:18])[F:15])[H:17]', inchi_key='GKUCRKARRYLTMY-MRVPVSSYSA-N'), OptimizationResult(type='optimization', record_id='18438425', cmiles='[H:16][c:2]1[c:3]([c:7]([c:4]([c:6]([c:5]1[C@@:9]([H:21])([C:8]([H:19])([H:20])[C:1]#[N:10])[N:11]([H:22])[H:23])[N+:12](=[O:14])[O-:13])[H:18])[F:15])[H:17]', inchi_key='GKUCRKARRYLTMY-MRVPVSSYSA-N'), OptimizationResult(type='optimization', record_id='18438426', cmiles='[H:16][c:2]1[c:3]([c:7]([c:4]([c:6]([c:5]1[C@@:9]([H:21])([C:8]([H:19])([H:20])[C:1]#[N:10])[N:11]([H:22])[H:23])[N+:12](=[O:14])[O-:13])[H:18])[F:15])[H:17]', inchi_key='GKUCRKARRYLTMY-MRVPVSSYSA-N'), OptimizationResult(type='optimization', record_id='18438427', cmiles='[H:16][c:2]1[c:3]([c:7]([c:4]([c:6]([c:5]1[C@@:9]([H:21])([C:8]([H:19])([H:20])[C:1]#[N:10])[N:11]([H:22])[H:23])[N+:12](=[O:14])[O-:13])[H:18])[F:15])[H:17]', inchi_key='GKUCRKARRYLTMY-MRVPVSSYSA-N'), OptimizationResult(type='optimization', record_id='18438428', cmiles='[H:15][c:2]1[c:4]([c:6]([c:3]([c:7]([c:5]1[F:12])[Br:14])[H:16])[F:13])[O:11][C:9]([H:19])([H:20])[C:8]([H:17])([H:18])[C:1]#[N:10]', inchi_key='BFLCMYNHPCBHOU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438429', cmiles='[H:15][c:2]1[c:4]([c:6]([c:3]([c:7]([c:5]1[F:12])[Br:14])[H:16])[F:13])[O:11][C:9]([H:19])([H:20])[C:8]([H:17])([H:18])[C:1]#[N:10]', inchi_key='BFLCMYNHPCBHOU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438430', cmiles='[H:15][c:2]1[c:4]([c:6]([c:3]([c:7]([c:5]1[F:12])[Br:14])[H:16])[F:13])[O:11][C:9]([H:19])([H:20])[C:8]([H:17])([H:18])[C:1]#[N:10]', inchi_key='BFLCMYNHPCBHOU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438431', cmiles='[H:15][c:2]1[c:4]([c:6]([c:3]([c:7]([c:5]1[F:12])[Br:14])[H:16])[F:13])[O:11][C:9]([H:19])([H:20])[C:8]([H:17])([H:18])[C:1]#[N:10]', inchi_key='BFLCMYNHPCBHOU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438499', cmiles='[H:15][c:2]1[c:4]([c:6]([c:3]([c:7]([c:5]1[F:12])[Br:14])[H:16])[F:13])[O:11][C:9]([H:19])([H:20])[C:8]([H:17])([H:18])[C:1]#[N:10]', inchi_key='BFLCMYNHPCBHOU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438502', cmiles='[H:15][c:2]1[c:4]([c:6]([c:3]([c:7]([c:5]1[F:12])[Br:14])[H:16])[F:13])[O:11][C:9]([H:19])([H:20])[C:8]([H:17])([H:18])[C:1]#[N:10]', inchi_key='BFLCMYNHPCBHOU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438503', cmiles='[H:22][c:1]1[c:3]([c:6]([c:4]([c:2]([c:5]1/[N:15]=[N:16]/[c:10]2[n:14][n:17]3[c:9](=[O:18])[c:7]([c:8]([n:13][c:11]3[s:19]2)[C:12]([H:26])([H:27])[H:28])[Br:21])[H:23])[H:25])[Br:20])[H:24]', inchi_key='IMLCFYDEDJDFDA-WUKNDPDISA-N'), OptimizationResult(type='optimization', record_id='18438504', cmiles='[H:13][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[S:11][C:7](=[O:9])[C:8]([H:16])([H:17])[H:18])[H:15])[F:10])[Cl:12])[H:14]', inchi_key='UJSRHESZAVJFFO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438505', cmiles='[H:13][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[S:11][C:7](=[O:9])[C:8]([H:16])([H:17])[H:18])[H:15])[F:10])[Cl:12])[H:14]', inchi_key='UJSRHESZAVJFFO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438506', cmiles='[H:13][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[S:11][C:7](=[O:9])[C:8]([H:16])([H:17])[H:18])[H:15])[F:10])[Cl:12])[H:14]', inchi_key='UJSRHESZAVJFFO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438507', cmiles='[H:13][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[S:11][C:7](=[O:9])[C:8]([H:16])([H:17])[H:18])[H:15])[F:10])[Cl:12])[H:14]', inchi_key='UJSRHESZAVJFFO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438508', cmiles='[H:13][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[S:11][C:7](=[O:9])[C:8]([H:16])([H:17])[H:18])[H:15])[F:10])[Cl:12])[H:14]', inchi_key='UJSRHESZAVJFFO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438509', cmiles='[H:13][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[S:11][C:7](=[O:9])[C:8]([H:16])([H:17])[H:18])[H:15])[F:10])[Cl:12])[H:14]', inchi_key='UJSRHESZAVJFFO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438510', cmiles='[H:19][c:1]1[c:4]([c:11]([c:5]([c:2]([c:9]1[S:16][c:10]2[c:3]([c:6]([c:12]([c:7]([c:8]2[C:13](=[O:14])[O:15][H:26])[H:25])[Cl:18])[H:24])[H:21])[H:20])[H:23])[Cl:17])[H:22]', inchi_key='YVCUWBJKGWDSBE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438511', cmiles='[H:19][c:1]1[c:4]([c:11]([c:5]([c:2]([c:9]1[S:16][c:10]2[c:3]([c:6]([c:12]([c:7]([c:8]2[C:13](=[O:14])[O:15][H:26])[H:25])[Cl:18])[H:24])[H:21])[H:20])[H:23])[Cl:17])[H:22]', inchi_key='YVCUWBJKGWDSBE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438512', cmiles='[H:19][c:1]1[c:4]([c:11]([c:5]([c:2]([c:9]1[S:16][c:10]2[c:3]([c:6]([c:12]([c:7]([c:8]2[C:13](=[O:14])[O:15][H:26])[H:25])[Cl:18])[H:24])[H:21])[H:20])[H:23])[Cl:17])[H:22]', inchi_key='YVCUWBJKGWDSBE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438513', cmiles='[H:19][c:1]1[c:4]([c:11]([c:5]([c:2]([c:9]1[S:16][c:10]2[c:3]([c:6]([c:12]([c:7]([c:8]2[C:13](=[O:14])[O:15][H:26])[H:25])[Cl:18])[H:24])[H:21])[H:20])[H:23])[Cl:17])[H:22]', inchi_key='YVCUWBJKGWDSBE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438514', cmiles='[H:19][c:1]1[c:4]([c:11]([c:5]([c:2]([c:9]1[S:16][c:10]2[c:3]([c:6]([c:12]([c:7]([c:8]2[C:13](=[O:14])[O:15][H:26])[H:25])[Cl:18])[H:24])[H:21])[H:20])[H:23])[Cl:17])[H:22]', inchi_key='YVCUWBJKGWDSBE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438515', cmiles='[H:19][c:1]1[c:4]([c:11]([c:5]([c:2]([c:9]1[S:16][c:10]2[c:3]([c:6]([c:12]([c:7]([c:8]2[C:13](=[O:14])[O:15][H:26])[H:25])[Cl:18])[H:24])[H:21])[H:20])[H:23])[Cl:17])[H:22]', inchi_key='YVCUWBJKGWDSBE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438516', cmiles='[H:19][c:1]1[c:4]([c:11]([c:5]([c:2]([c:9]1[S:16][c:10]2[c:3]([c:6]([c:12]([c:7]([c:8]2[C:13](=[O:14])[O:15][H:26])[H:25])[Cl:18])[H:24])[H:21])[H:20])[H:23])[Cl:17])[H:22]', inchi_key='YVCUWBJKGWDSBE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438517', cmiles='[H:19][c:1]1[c:4]([c:11]([c:5]([c:2]([c:9]1[S:16][c:10]2[c:3]([c:6]([c:12]([c:7]([c:8]2[C:13](=[O:14])[O:15][H:26])[H:25])[Cl:18])[H:24])[H:21])[H:20])[H:23])[Cl:17])[H:22]', inchi_key='YVCUWBJKGWDSBE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438518', cmiles='[H:19][c:1]1[c:4]([c:11]([c:5]([c:2]([c:9]1[S:16][c:10]2[c:3]([c:6]([c:12]([c:7]([c:8]2[C:13](=[O:14])[O:15][H:26])[H:25])[Cl:18])[H:24])[H:21])[H:20])[H:23])[Cl:17])[H:22]', inchi_key='YVCUWBJKGWDSBE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438519', cmiles='[H:19][c:1]1[c:4]([c:11]([c:5]([c:2]([c:9]1[S:16][c:10]2[c:3]([c:6]([c:12]([c:7]([c:8]2[C:13](=[O:14])[O:15][H:26])[H:25])[Cl:18])[H:24])[H:21])[H:20])[H:23])[Cl:17])[H:22]', inchi_key='YVCUWBJKGWDSBE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438520', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438521', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438522', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438523', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438524', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438525', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438526', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438527', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438528', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438529', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438530', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438531', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438532', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438545', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438596', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438614', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438615', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438616', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438644', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438645', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438646', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438647', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438655', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438681', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438682', cmiles='[H:20][c:1]1[c:2]([c:7]2[c:8]([c:5]([c:6]1[N:12]([H:27])[S:18](=[O:13])(=[O:14])[c:9]3[c:3]([c:4]([c:10]([s:17]3)[Cl:19])[H:23])[H:22])[H:24])[O:16][C:11]([O:15]2)([H:25])[H:26])[H:21]', inchi_key='HWIHHQDATLSRAA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438683', cmiles='[H:21][c:1]1[c:2]([c:4]([c:10]2[c:8]([c:3]1[H:23])[c:13]([c:14]([s:17]2)/[C:15](=[N:16]/[c:9]3[c:7]([c:11]([c:5]([c:6]([c:12]3[Cl:19])[H:26])[H:25])[Cl:18])[H:27])/[H:28])[Cl:20])[H:24])[H:22]', inchi_key='MEULQUZQHHXICH-UFWORHAWSA-N'), OptimizationResult(type='optimization', record_id='18438684', cmiles='[H:21][c:1]1[c:2]([c:4]([c:10]2[c:8]([c:3]1[H:23])[c:13]([c:14]([s:17]2)/[C:15](=[N:16]/[c:9]3[c:7]([c:11]([c:5]([c:6]([c:12]3[Cl:19])[H:26])[H:25])[Cl:18])[H:27])/[H:28])[Cl:20])[H:24])[H:22]', inchi_key='MEULQUZQHHXICH-UFWORHAWSA-N'), OptimizationResult(type='optimization', record_id='18438685', cmiles='[H:21][c:1]1[c:2]([c:4]([c:10]2[c:8]([c:3]1[H:23])[c:13]([c:14]([s:17]2)/[C:15](=[N:16]/[c:9]3[c:7]([c:11]([c:5]([c:6]([c:12]3[Cl:19])[H:26])[H:25])[Cl:18])[H:27])/[H:28])[Cl:20])[H:24])[H:22]', inchi_key='MEULQUZQHHXICH-UFWORHAWSA-N'), OptimizationResult(type='optimization', record_id='18438686', cmiles='[H:21][c:1]1[c:2]([c:4]([c:10]2[c:8]([c:3]1[H:23])[c:13]([c:14]([s:17]2)/[C:15](=[N:16]/[c:9]3[c:7]([c:11]([c:5]([c:6]([c:12]3[Cl:19])[H:26])[H:25])[Cl:18])[H:27])/[H:28])[Cl:20])[H:24])[H:22]', inchi_key='MEULQUZQHHXICH-UFWORHAWSA-N'), OptimizationResult(type='optimization', record_id='18438687', cmiles='[H:24][c:1]1[c:2]([c:4]([c:9]2[c:8]([c:3]1[H:26])[C:15]([C:17]([N:20]([C:16]2([H:33])[H:34])[C:14](=[O:22])[N:21]([H:40])[c:11]3[c:6]([c:5]([c:10]4[c:12]([c:7]3[H:30])[o:23][c:13]([n:19]4)[C:18]([H:37])([H:38])[H:39])[H:28])[H:29])([H:35])[H:36])([H:31])[H:32])[H:27])[H:25]', inchi_key='PGHFQDWERVOIQY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438688', cmiles='[H:24][c:1]1[c:2]([c:4]([c:9]2[c:8]([c:3]1[H:26])[C:15]([C:17]([N:20]([C:16]2([H:33])[H:34])[C:14](=[O:22])[N:21]([H:40])[c:11]3[c:6]([c:5]([c:10]4[c:12]([c:7]3[H:30])[o:23][c:13]([n:19]4)[C:18]([H:37])([H:38])[H:39])[H:28])[H:29])([H:35])[H:36])([H:31])[H:32])[H:27])[H:25]', inchi_key='PGHFQDWERVOIQY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438689', cmiles='[H:24][c:1]1[c:2]([c:4]([c:9]2[c:8]([c:3]1[H:26])[C:15]([C:17]([N:20]([C:16]2([H:33])[H:34])[C:14](=[O:22])[N:21]([H:40])[c:11]3[c:6]([c:5]([c:10]4[c:12]([c:7]3[H:30])[o:23][c:13]([n:19]4)[C:18]([H:37])([H:38])[H:39])[H:28])[H:29])([H:35])[H:36])([H:31])[H:32])[H:27])[H:25]', inchi_key='PGHFQDWERVOIQY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438690', cmiles='[H:24][c:1]1[c:2]([c:4]([c:9]2[c:8]([c:3]1[H:26])[C:15]([C:17]([N:20]([C:16]2([H:33])[H:34])[C:14](=[O:22])[N:21]([H:40])[c:11]3[c:6]([c:5]([c:10]4[c:12]([c:7]3[H:30])[o:23][c:13]([n:19]4)[C:18]([H:37])([H:38])[H:39])[H:28])[H:29])([H:35])[H:36])([H:31])[H:32])[H:27])[H:25]', inchi_key='PGHFQDWERVOIQY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438691', cmiles='[H:24][c:1]1[c:2]([c:4]([c:9]2[c:8]([c:3]1[H:26])[C:15]([C:17]([N:20]([C:16]2([H:33])[H:34])[C:14](=[O:22])[N:21]([H:40])[c:11]3[c:6]([c:5]([c:10]4[c:12]([c:7]3[H:30])[o:23][c:13]([n:19]4)[C:18]([H:37])([H:38])[H:39])[H:28])[H:29])([H:35])[H:36])([H:31])[H:32])[H:27])[H:25]', inchi_key='PGHFQDWERVOIQY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438692', cmiles='[H:24][c:1]1[c:2]([c:4]([c:9]2[c:8]([c:3]1[H:26])[C:15]([C:17]([N:20]([C:16]2([H:33])[H:34])[C:14](=[O:22])[N:21]([H:40])[c:11]3[c:6]([c:5]([c:10]4[c:12]([c:7]3[H:30])[o:23][c:13]([n:19]4)[C:18]([H:37])([H:38])[H:39])[H:28])[H:29])([H:35])[H:36])([H:31])[H:32])[H:27])[H:25]', inchi_key='PGHFQDWERVOIQY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438693', cmiles='[H:24][c:1]1[c:2]([c:4]([c:9]2[c:8]([c:3]1[H:26])[C:15]([C:17]([N:20]([C:16]2([H:33])[H:34])[C:14](=[O:22])[N:21]([H:40])[c:11]3[c:6]([c:5]([c:10]4[c:12]([c:7]3[H:30])[o:23][c:13]([n:19]4)[C:18]([H:37])([H:38])[H:39])[H:28])[H:29])([H:35])[H:36])([H:31])[H:32])[H:27])[H:25]', inchi_key='PGHFQDWERVOIQY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438694', cmiles='[H:24][c:1]1[c:2]([c:4]([c:9]2[c:8]([c:3]1[H:26])[C:15]([C:17]([N:20]([C:16]2([H:33])[H:34])[C:14](=[O:22])[N:21]([H:40])[c:11]3[c:6]([c:5]([c:10]4[c:12]([c:7]3[H:30])[o:23][c:13]([n:19]4)[C:18]([H:37])([H:38])[H:39])[H:28])[H:29])([H:35])[H:36])([H:31])[H:32])[H:27])[H:25]', inchi_key='PGHFQDWERVOIQY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438707', cmiles='[H:24][c:1]1[c:2]([c:4]([c:9]2[c:8]([c:3]1[H:26])[C:15]([C:17]([N:20]([C:16]2([H:33])[H:34])[C:14](=[O:22])[N:21]([H:40])[c:11]3[c:6]([c:5]([c:10]4[c:12]([c:7]3[H:30])[o:23][c:13]([n:19]4)[C:18]([H:37])([H:38])[H:39])[H:28])[H:29])([H:35])[H:36])([H:31])[H:32])[H:27])[H:25]', inchi_key='PGHFQDWERVOIQY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438708', cmiles='[H:24][c:1]1[c:2]([c:4]([c:9]2[c:8]([c:3]1[H:26])[C:15]([C:17]([N:20]([C:16]2([H:33])[H:34])[C:14](=[O:22])[N:21]([H:40])[c:11]3[c:6]([c:5]([c:10]4[c:12]([c:7]3[H:30])[o:23][c:13]([n:19]4)[C:18]([H:37])([H:38])[H:39])[H:28])[H:29])([H:35])[H:36])([H:31])[H:32])[H:27])[H:25]', inchi_key='PGHFQDWERVOIQY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438709', cmiles='[H:24][c:1]1[c:2]([c:4]([c:9]2[c:8]([c:3]1[H:26])[C:15]([C:17]([N:20]([C:16]2([H:33])[H:34])[C:14](=[O:22])[N:21]([H:40])[c:11]3[c:6]([c:5]([c:10]4[c:12]([c:7]3[H:30])[o:23][c:13]([n:19]4)[C:18]([H:37])([H:38])[H:39])[H:28])[H:29])([H:35])[H:36])([H:31])[H:32])[H:27])[H:25]', inchi_key='PGHFQDWERVOIQY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438710', cmiles='[H:24][c:1]1[c:2]([c:4]([c:9]2[c:8]([c:3]1[H:26])[C:15]([C:17]([N:20]([C:16]2([H:33])[H:34])[C:14](=[O:22])[N:21]([H:40])[c:11]3[c:6]([c:5]([c:10]4[c:12]([c:7]3[H:30])[o:23][c:13]([n:19]4)[C:18]([H:37])([H:38])[H:39])[H:28])[H:29])([H:35])[H:36])([H:31])[H:32])[H:27])[H:25]', inchi_key='PGHFQDWERVOIQY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438711', cmiles='[H:24][c:1]1[c:2]([c:4]([c:9]2[c:8]([c:3]1[H:26])[C:15]([C:17]([N:20]([C:16]2([H:33])[H:34])[C:14](=[O:22])[N:21]([H:40])[c:11]3[c:6]([c:5]([c:10]4[c:12]([c:7]3[H:30])[o:23][c:13]([n:19]4)[C:18]([H:37])([H:38])[H:39])[H:28])[H:29])([H:35])[H:36])([H:31])[H:32])[H:27])[H:25]', inchi_key='PGHFQDWERVOIQY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438712', cmiles='[H:24][c:1]1[c:2]([c:4]([c:9]2[c:8]([c:3]1[H:26])[C:15]([C:17]([N:20]([C:16]2([H:33])[H:34])[C:14](=[O:22])[N:21]([H:40])[c:11]3[c:6]([c:5]([c:10]4[c:12]([c:7]3[H:30])[o:23][c:13]([n:19]4)[C:18]([H:37])([H:38])[H:39])[H:28])[H:29])([H:35])[H:36])([H:31])[H:32])[H:27])[H:25]', inchi_key='PGHFQDWERVOIQY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438713', cmiles='[H:24][c:1]1[c:2]([c:4]([c:9]2[c:8]([c:3]1[H:26])[C:15]([C:17]([N:20]([C:16]2([H:33])[H:34])[C:14](=[O:22])[N:21]([H:40])[c:11]3[c:6]([c:5]([c:10]4[c:12]([c:7]3[H:30])[o:23][c:13]([n:19]4)[C:18]([H:37])([H:38])[H:39])[H:28])[H:29])([H:35])[H:36])([H:31])[H:32])[H:27])[H:25]', inchi_key='PGHFQDWERVOIQY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438744', cmiles='[H:24][c:1]1[c:2]([c:4]([c:9]2[c:8]([c:3]1[H:26])[C:15]([C:17]([N:20]([C:16]2([H:33])[H:34])[C:14](=[O:22])[N:21]([H:40])[c:11]3[c:6]([c:5]([c:10]4[c:12]([c:7]3[H:30])[o:23][c:13]([n:19]4)[C:18]([H:37])([H:38])[H:39])[H:28])[H:29])([H:35])[H:36])([H:31])[H:32])[H:27])[H:25]', inchi_key='PGHFQDWERVOIQY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438745', cmiles='[H:24][c:1]1[c:2]([c:4]([c:9]2[c:8]([c:3]1[H:26])[C:15]([C:17]([N:20]([C:16]2([H:33])[H:34])[C:14](=[O:22])[N:21]([H:40])[c:11]3[c:6]([c:5]([c:10]4[c:12]([c:7]3[H:30])[o:23][c:13]([n:19]4)[C:18]([H:37])([H:38])[H:39])[H:28])[H:29])([H:35])[H:36])([H:31])[H:32])[H:27])[H:25]', inchi_key='PGHFQDWERVOIQY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438746', cmiles='[H:24][c:1]1[c:2]([c:4]([c:9]2[c:8]([c:3]1[H:26])[C:15]([C:17]([N:20]([C:16]2([H:33])[H:34])[C:14](=[O:22])[N:21]([H:40])[c:11]3[c:6]([c:5]([c:10]4[c:12]([c:7]3[H:30])[o:23][c:13]([n:19]4)[C:18]([H:37])([H:38])[H:39])[H:28])[H:29])([H:35])[H:36])([H:31])[H:32])[H:27])[H:25]', inchi_key='PGHFQDWERVOIQY-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438747', cmiles='[H:25][c:1]1[c:3]([c:2]([n:16]([n:15]1)[C:13]([H:40])([H:41])[H:42])[H:26])[N:17]2[C:4](=[O:20])[C:6]([N:18]([C@:11]3([C:9]2([H:33])[H:34])[C:7]([C:8]([N@:19]([C:10]3([H:35])[H:36])[S:24](=[O:22])(=[O:23])[C:14]([H:43])([H:44])[H:45])([H:31])[H:32])([H:29])[H:30])[C:5](=[O:21])[C:12]([H:37])([H:38])[H:39])([H:27])[H:28]', inchi_key='RCKRNIRPDQWORQ-CQSZACIVSA-N'), OptimizationResult(type='optimization', record_id='18438748', cmiles='[H:25][c:1]1[c:3]([c:2]([n:16]([n:15]1)[C:13]([H:40])([H:41])[H:42])[H:26])[N:17]2[C:4](=[O:20])[C:6]([N:18]([C@:11]3([C:9]2([H:33])[H:34])[C:7]([C:8]([N@:19]([C:10]3([H:35])[H:36])[S:24](=[O:22])(=[O:23])[C:14]([H:43])([H:44])[H:45])([H:31])[H:32])([H:29])[H:30])[C:5](=[O:21])[C:12]([H:37])([H:38])[H:39])([H:27])[H:28]', inchi_key='RCKRNIRPDQWORQ-CQSZACIVSA-N'), OptimizationResult(type='optimization', record_id='18438749', cmiles='[H:25][c:1]1[c:3]([c:2]([n:16]([n:15]1)[C:13]([H:40])([H:41])[H:42])[H:26])[N:17]2[C:4](=[O:20])[C:6]([N:18]([C@:11]3([C:9]2([H:33])[H:34])[C:7]([C:8]([N@:19]([C:10]3([H:35])[H:36])[S:24](=[O:22])(=[O:23])[C:14]([H:43])([H:44])[H:45])([H:31])[H:32])([H:29])[H:30])[C:5](=[O:21])[C:12]([H:37])([H:38])[H:39])([H:27])[H:28]', inchi_key='RCKRNIRPDQWORQ-CQSZACIVSA-N'), OptimizationResult(type='optimization', record_id='18438750', cmiles='[H:25][c:1]1[c:3]([c:2]([n:16]([n:15]1)[C:13]([H:40])([H:41])[H:42])[H:26])[N:17]2[C:4](=[O:20])[C:6]([N:18]([C@:11]3([C:9]2([H:33])[H:34])[C:7]([C:8]([N@:19]([C:10]3([H:35])[H:36])[S:24](=[O:22])(=[O:23])[C:14]([H:43])([H:44])[H:45])([H:31])[H:32])([H:29])[H:30])[C:5](=[O:21])[C:12]([H:37])([H:38])[H:39])([H:27])[H:28]', inchi_key='RCKRNIRPDQWORQ-CQSZACIVSA-N'), OptimizationResult(type='optimization', record_id='18438751', cmiles='[H:25][c:1]1[c:3]([c:2]([n:16]([n:15]1)[C:13]([H:40])([H:41])[H:42])[H:26])[N:17]2[C:4](=[O:20])[C:6]([N:18]([C@:11]3([C:9]2([H:33])[H:34])[C:7]([C:8]([N@:19]([C:10]3([H:35])[H:36])[S:24](=[O:22])(=[O:23])[C:14]([H:43])([H:44])[H:45])([H:31])[H:32])([H:29])[H:30])[C:5](=[O:21])[C:12]([H:37])([H:38])[H:39])([H:27])[H:28]', inchi_key='RCKRNIRPDQWORQ-CQSZACIVSA-N'), OptimizationResult(type='optimization', record_id='18438781', cmiles='[H:25][c:1]1[c:3]([c:2]([n:16]([n:15]1)[C:13]([H:40])([H:41])[H:42])[H:26])[N:17]2[C:4](=[O:20])[C:6]([N:18]([C@:11]3([C:9]2([H:33])[H:34])[C:7]([C:8]([N@:19]([C:10]3([H:35])[H:36])[S:24](=[O:22])(=[O:23])[C:14]([H:43])([H:44])[H:45])([H:31])[H:32])([H:29])[H:30])[C:5](=[O:21])[C:12]([H:37])([H:38])[H:39])([H:27])[H:28]', inchi_key='RCKRNIRPDQWORQ-CQSZACIVSA-N'), OptimizationResult(type='optimization', record_id='18438793', cmiles='[H:25][c:1]1[c:3]([c:2]([n:16]([n:15]1)[C:13]([H:40])([H:41])[H:42])[H:26])[N:17]2[C:4](=[O:20])[C:6]([N:18]([C@:11]3([C:9]2([H:33])[H:34])[C:7]([C:8]([N@:19]([C:10]3([H:35])[H:36])[S:24](=[O:22])(=[O:23])[C:14]([H:43])([H:44])[H:45])([H:31])[H:32])([H:29])[H:30])[C:5](=[O:21])[C:12]([H:37])([H:38])[H:39])([H:27])[H:28]', inchi_key='RCKRNIRPDQWORQ-CQSZACIVSA-N'), OptimizationResult(type='optimization', record_id='18438828', cmiles='[H:25][c:1]1[c:3]([c:2]([n:16]([n:15]1)[C:13]([H:40])([H:41])[H:42])[H:26])[N:17]2[C:4](=[O:20])[C:6]([N:18]([C@:11]3([C:9]2([H:33])[H:34])[C:7]([C:8]([N@:19]([C:10]3([H:35])[H:36])[S:24](=[O:22])(=[O:23])[C:14]([H:43])([H:44])[H:45])([H:31])[H:32])([H:29])[H:30])[C:5](=[O:21])[C:12]([H:37])([H:38])[H:39])([H:27])[H:28]', inchi_key='RCKRNIRPDQWORQ-CQSZACIVSA-N'), OptimizationResult(type='optimization', record_id='18438829', cmiles='[H:25][c:1]1[c:3]([c:2]([n:16]([n:15]1)[C:13]([H:40])([H:41])[H:42])[H:26])[N:17]2[C:4](=[O:20])[C:6]([N:18]([C@:11]3([C:9]2([H:33])[H:34])[C:7]([C:8]([N@:19]([C:10]3([H:35])[H:36])[S:24](=[O:22])(=[O:23])[C:14]([H:43])([H:44])[H:45])([H:31])[H:32])([H:29])[H:30])[C:5](=[O:21])[C:12]([H:37])([H:38])[H:39])([H:27])[H:28]', inchi_key='RCKRNIRPDQWORQ-CQSZACIVSA-N'), OptimizationResult(type='optimization', record_id='18438830', cmiles='[H:25][c:1]1[c:3]([c:2]([n:16]([n:15]1)[C:13]([H:40])([H:41])[H:42])[H:26])[N:17]2[C:4](=[O:20])[C:6]([N:18]([C@:11]3([C:9]2([H:33])[H:34])[C:7]([C:8]([N@:19]([C:10]3([H:35])[H:36])[S:24](=[O:22])(=[O:23])[C:14]([H:43])([H:44])[H:45])([H:31])[H:32])([H:29])[H:30])[C:5](=[O:21])[C:12]([H:37])([H:38])[H:39])([H:27])[H:28]', inchi_key='RCKRNIRPDQWORQ-CQSZACIVSA-N'), OptimizationResult(type='optimization', record_id='18438831', cmiles='[H:13][c:1]1[c:2]([c:3]([c:5]([n:7][c:4]1[Cl:11])[Cl:12])[O:9][H:14])[C:6](=[O:8])[O:10][H:15]', inchi_key='LOQNBXJKGZGLCJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438832', cmiles='[H:13][c:1]1[c:2]([c:3]([c:5]([n:7][c:4]1[Cl:11])[Cl:12])[O:9][H:14])[C:6](=[O:8])[O:10][H:15]', inchi_key='LOQNBXJKGZGLCJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438851', cmiles='[H:13][c:1]1[c:2]([c:3]([c:5]([n:7][c:4]1[Cl:11])[Cl:12])[O:9][H:14])[C:6](=[O:8])[O:10][H:15]', inchi_key='LOQNBXJKGZGLCJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438861', cmiles='[H:14][c:1]1[c:4]([c:3]([c:6]([c:2]([c:5]1[Cl:12])[H:15])[Cl:13])[C@@:9]2([C:7]([C:8]([N:10]2[H:21])([H:18])[H:19])([H:16])[H:17])[H:20])[O:11][H:22]', inchi_key='PVWHZSDZJCAKIP-ZETCQYMHSA-N'), OptimizationResult(type='optimization', record_id='18438862', cmiles='[H:14][c:1]1[c:4]([c:3]([c:6]([c:2]([c:5]1[Cl:12])[H:15])[Cl:13])[C@@:9]2([C:7]([C:8]([N:10]2[H:21])([H:18])[H:19])([H:16])[H:17])[H:20])[O:11][H:22]', inchi_key='PVWHZSDZJCAKIP-ZETCQYMHSA-N'), OptimizationResult(type='optimization', record_id='18438863', cmiles='[H:19][c:1]1[c:2]([c:5]([c:9]([c:8]([c:4]1[H:22])[c:10]2[c:6]([c:3]([c:7]([c:11]([n:13]2)[Cl:18])[H:25])[H:21])[H:24])[O:14][C:12]([F:15])([F:16])[F:17])[H:23])[H:20]', inchi_key='WIIRREMNDRTYCJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438864', cmiles='[H:19][c:1]1[c:2]([c:5]([c:9]([c:8]([c:4]1[H:22])[c:10]2[c:6]([c:3]([c:7]([c:11]([n:13]2)[Cl:18])[H:25])[H:21])[H:24])[O:14][C:12]([F:15])([F:16])[F:17])[H:23])[H:20]', inchi_key='WIIRREMNDRTYCJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438865', cmiles='[H:19][c:1]1[c:2]([c:5]([c:9]([c:8]([c:4]1[H:22])[c:10]2[c:6]([c:3]([c:7]([c:11]([n:13]2)[Cl:18])[H:25])[H:21])[H:24])[O:14][C:12]([F:15])([F:16])[F:17])[H:23])[H:20]', inchi_key='WIIRREMNDRTYCJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438866', cmiles='[H:19][c:1]1[c:2]([c:5]([c:9]([c:8]([c:4]1[H:22])[c:10]2[c:6]([c:3]([c:7]([c:11]([n:13]2)[Cl:18])[H:25])[H:21])[H:24])[O:14][C:12]([F:15])([F:16])[F:17])[H:23])[H:20]', inchi_key='WIIRREMNDRTYCJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438867', cmiles='[H:19][c:1]1[c:2]([c:5]([c:9]([c:8]([c:4]1[H:22])[c:10]2[c:6]([c:3]([c:7]([c:11]([n:13]2)[Cl:18])[H:25])[H:21])[H:24])[O:14][C:12]([F:15])([F:16])[F:17])[H:23])[H:20]', inchi_key='WIIRREMNDRTYCJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438868', cmiles='[H:19][c:1]1[c:2]([c:5]([c:9]([c:8]([c:4]1[H:22])[c:10]2[c:6]([c:3]([c:7]([c:11]([n:13]2)[Cl:18])[H:25])[H:21])[H:24])[O:14][C:12]([F:15])([F:16])[F:17])[H:23])[H:20]', inchi_key='WIIRREMNDRTYCJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438869', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[Cl:17])/[C:9](=[N:13]/[N:12]=[C:8]\\2/[N:11]=[C:7]([C:10]([S:15]2)([H:22])[H:23])[O:14][H:24])/[H:21])[Cl:16])[H:19]', inchi_key='RIJKGOXAALFOGI-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18438870', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[Cl:17])/[C:9](=[N:13]/[N:12]=[C:8]\\2/[N:11]=[C:7]([C:10]([S:15]2)([H:22])[H:23])[O:14][H:24])/[H:21])[Cl:16])[H:19]', inchi_key='RIJKGOXAALFOGI-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18438871', cmiles='[H:26][c:1]1[c:2]([c:5]([c:10]([c:6]([c:3]1[H:28])[H:31])[n:22]2[n:20][c:13]([c:14]([n:21]2)[C:19]([H:40])([H:41])[H:42])[C:15](=[O:24])[N:23]3[c:11]4[c:8]([c:12]([c:7]([c:4]([c:9]4[C:16]([C:17]([C:18]3([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[H:29])[H:32])[F:25])[H:33])[H:30])[H:27]', inchi_key='VMUVYQMRBQLZMW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438872', cmiles='[H:26][c:1]1[c:2]([c:5]([c:10]([c:6]([c:3]1[H:28])[H:31])[n:22]2[n:20][c:13]([c:14]([n:21]2)[C:19]([H:40])([H:41])[H:42])[C:15](=[O:24])[N:23]3[c:11]4[c:8]([c:12]([c:7]([c:4]([c:9]4[C:16]([C:17]([C:18]3([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[H:29])[H:32])[F:25])[H:33])[H:30])[H:27]', inchi_key='VMUVYQMRBQLZMW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438873', cmiles='[H:26][c:1]1[c:2]([c:5]([c:10]([c:6]([c:3]1[H:28])[H:31])[n:22]2[n:20][c:13]([c:14]([n:21]2)[C:19]([H:40])([H:41])[H:42])[C:15](=[O:24])[N:23]3[c:11]4[c:8]([c:12]([c:7]([c:4]([c:9]4[C:16]([C:17]([C:18]3([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[H:29])[H:32])[F:25])[H:33])[H:30])[H:27]', inchi_key='VMUVYQMRBQLZMW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438874', cmiles='[H:26][c:1]1[c:2]([c:5]([c:10]([c:6]([c:3]1[H:28])[H:31])[n:22]2[n:20][c:13]([c:14]([n:21]2)[C:19]([H:40])([H:41])[H:42])[C:15](=[O:24])[N:23]3[c:11]4[c:8]([c:12]([c:7]([c:4]([c:9]4[C:16]([C:17]([C:18]3([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[H:29])[H:32])[F:25])[H:33])[H:30])[H:27]', inchi_key='VMUVYQMRBQLZMW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438875', cmiles='[H:26][c:1]1[c:2]([c:5]([c:10]([c:6]([c:3]1[H:28])[H:31])[n:22]2[n:20][c:13]([c:14]([n:21]2)[C:19]([H:40])([H:41])[H:42])[C:15](=[O:24])[N:23]3[c:11]4[c:8]([c:12]([c:7]([c:4]([c:9]4[C:16]([C:17]([C:18]3([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[H:29])[H:32])[F:25])[H:33])[H:30])[H:27]', inchi_key='VMUVYQMRBQLZMW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438876', cmiles='[H:26][c:1]1[c:2]([c:5]([c:10]([c:6]([c:3]1[H:28])[H:31])[n:22]2[n:20][c:13]([c:14]([n:21]2)[C:19]([H:40])([H:41])[H:42])[C:15](=[O:24])[N:23]3[c:11]4[c:8]([c:12]([c:7]([c:4]([c:9]4[C:16]([C:17]([C:18]3([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[H:29])[H:32])[F:25])[H:33])[H:30])[H:27]', inchi_key='VMUVYQMRBQLZMW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438877', cmiles='[H:26][c:1]1[c:2]([c:5]([c:10]([c:6]([c:3]1[H:28])[H:31])[n:22]2[n:20][c:13]([c:14]([n:21]2)[C:19]([H:40])([H:41])[H:42])[C:15](=[O:24])[N:23]3[c:11]4[c:8]([c:12]([c:7]([c:4]([c:9]4[C:16]([C:17]([C:18]3([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[H:29])[H:32])[F:25])[H:33])[H:30])[H:27]', inchi_key='VMUVYQMRBQLZMW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438878', cmiles='[H:26][c:1]1[c:2]([c:5]([c:10]([c:6]([c:3]1[H:28])[H:31])[n:22]2[n:20][c:13]([c:14]([n:21]2)[C:19]([H:40])([H:41])[H:42])[C:15](=[O:24])[N:23]3[c:11]4[c:8]([c:12]([c:7]([c:4]([c:9]4[C:16]([C:17]([C:18]3([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[H:29])[H:32])[F:25])[H:33])[H:30])[H:27]', inchi_key='VMUVYQMRBQLZMW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438879', cmiles='[H:26][c:1]1[c:2]([c:5]([c:10]([c:6]([c:3]1[H:28])[H:31])[n:22]2[n:20][c:13]([c:14]([n:21]2)[C:19]([H:40])([H:41])[H:42])[C:15](=[O:24])[N:23]3[c:11]4[c:8]([c:12]([c:7]([c:4]([c:9]4[C:16]([C:17]([C:18]3([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[H:29])[H:32])[F:25])[H:33])[H:30])[H:27]', inchi_key='VMUVYQMRBQLZMW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438880', cmiles='[H:26][c:1]1[c:2]([c:5]([c:10]([c:6]([c:3]1[H:28])[H:31])[n:22]2[n:20][c:13]([c:14]([n:21]2)[C:19]([H:40])([H:41])[H:42])[C:15](=[O:24])[N:23]3[c:11]4[c:8]([c:12]([c:7]([c:4]([c:9]4[C:16]([C:17]([C:18]3([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[H:29])[H:32])[F:25])[H:33])[H:30])[H:27]', inchi_key='VMUVYQMRBQLZMW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438925', cmiles='[H:26][c:1]1[c:2]([c:5]([c:10]([c:6]([c:3]1[H:28])[H:31])[n:22]2[n:20][c:13]([c:14]([n:21]2)[C:19]([H:40])([H:41])[H:42])[C:15](=[O:24])[N:23]3[c:11]4[c:8]([c:12]([c:7]([c:4]([c:9]4[C:16]([C:17]([C:18]3([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[H:29])[H:32])[F:25])[H:33])[H:30])[H:27]', inchi_key='VMUVYQMRBQLZMW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438926', cmiles='[H:26][c:1]1[c:2]([c:5]([c:10]([c:6]([c:3]1[H:28])[H:31])[n:22]2[n:20][c:13]([c:14]([n:21]2)[C:19]([H:40])([H:41])[H:42])[C:15](=[O:24])[N:23]3[c:11]4[c:8]([c:12]([c:7]([c:4]([c:9]4[C:16]([C:17]([C:18]3([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[H:29])[H:32])[F:25])[H:33])[H:30])[H:27]', inchi_key='VMUVYQMRBQLZMW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438927', cmiles='[H:26][c:1]1[c:2]([c:5]([c:10]([c:6]([c:3]1[H:28])[H:31])[n:22]2[n:20][c:13]([c:14]([n:21]2)[C:19]([H:40])([H:41])[H:42])[C:15](=[O:24])[N:23]3[c:11]4[c:8]([c:12]([c:7]([c:4]([c:9]4[C:16]([C:17]([C:18]3([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[H:29])[H:32])[F:25])[H:33])[H:30])[H:27]', inchi_key='VMUVYQMRBQLZMW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438928', cmiles='[H:23][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:25])[C:13](=[N:17][S:22]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](\\[H:30])/[c:9]3[c:7]([c:10]([c:4]([c:5]([c:11]3[C:16]([H:34])([H:35])[H:36])[H:27])[H:26])[C:15]([H:31])([H:32])[H:33])[H:29])[H:28])[H:24]', inchi_key='YVUPMOQRWDQFBH-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18438929', cmiles='[H:23][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:25])[C:13](=[N:17][S:22]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](\\[H:30])/[c:9]3[c:7]([c:10]([c:4]([c:5]([c:11]3[C:16]([H:34])([H:35])[H:36])[H:27])[H:26])[C:15]([H:31])([H:32])[H:33])[H:29])[H:28])[H:24]', inchi_key='YVUPMOQRWDQFBH-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18438930', cmiles='[H:23][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:25])[C:13](=[N:17][S:22]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](\\[H:30])/[c:9]3[c:7]([c:10]([c:4]([c:5]([c:11]3[C:16]([H:34])([H:35])[H:36])[H:27])[H:26])[C:15]([H:31])([H:32])[H:33])[H:29])[H:28])[H:24]', inchi_key='YVUPMOQRWDQFBH-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18438931', cmiles='[H:23][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:25])[C:13](=[N:17][S:22]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](\\[H:30])/[c:9]3[c:7]([c:10]([c:4]([c:5]([c:11]3[C:16]([H:34])([H:35])[H:36])[H:27])[H:26])[C:15]([H:31])([H:32])[H:33])[H:29])[H:28])[H:24]', inchi_key='YVUPMOQRWDQFBH-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18438932', cmiles='[H:23][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:25])[C:13](=[N:17][S:22]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](\\[H:30])/[c:9]3[c:7]([c:10]([c:4]([c:5]([c:11]3[C:16]([H:34])([H:35])[H:36])[H:27])[H:26])[C:15]([H:31])([H:32])[H:33])[H:29])[H:28])[H:24]', inchi_key='YVUPMOQRWDQFBH-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18438949', cmiles='[H:23][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:25])[C:13](=[N:17][S:22]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](\\[H:30])/[c:9]3[c:7]([c:10]([c:4]([c:5]([c:11]3[C:16]([H:34])([H:35])[H:36])[H:27])[H:26])[C:15]([H:31])([H:32])[H:33])[H:29])[H:28])[H:24]', inchi_key='YVUPMOQRWDQFBH-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18438950', cmiles='[H:23][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:25])[C:13](=[N:17][S:22]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](\\[H:30])/[c:9]3[c:7]([c:10]([c:4]([c:5]([c:11]3[C:16]([H:34])([H:35])[H:36])[H:27])[H:26])[C:15]([H:31])([H:32])[H:33])[H:29])[H:28])[H:24]', inchi_key='YVUPMOQRWDQFBH-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18438951', cmiles='[H:23][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:25])[C:13](=[N:17][S:22]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](\\[H:30])/[c:9]3[c:7]([c:10]([c:4]([c:5]([c:11]3[C:16]([H:34])([H:35])[H:36])[H:27])[H:26])[C:15]([H:31])([H:32])[H:33])[H:29])[H:28])[H:24]', inchi_key='YVUPMOQRWDQFBH-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18438952', cmiles='[H:23][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:25])[C:13](=[N:17][S:22]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](\\[H:30])/[c:9]3[c:7]([c:10]([c:4]([c:5]([c:11]3[C:16]([H:34])([H:35])[H:36])[H:27])[H:26])[C:15]([H:31])([H:32])[H:33])[H:29])[H:28])[H:24]', inchi_key='YVUPMOQRWDQFBH-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18438953', cmiles='[H:23][c:1]1[c:2]([c:6]([c:12]2[c:8]([c:3]1[H:25])[C:13](=[N:17][S:22]2(=[O:20])=[O:21])[N:19]([H:37])/[N:18]=[C:14](\\[H:30])/[c:9]3[c:7]([c:10]([c:4]([c:5]([c:11]3[C:16]([H:34])([H:35])[H:36])[H:27])[H:26])[C:15]([H:31])([H:32])[H:33])[H:29])[H:28])[H:24]', inchi_key='YVUPMOQRWDQFBH-LICLKQGHSA-N'), OptimizationResult(type='optimization', record_id='18438954', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[S:15][c:8]2[n:9][c:7]([n:10][n:11]2[H:21])[N+:12](=[O:14])[O-:13])[H:19])[H:17]', inchi_key='DXXTXUZTWRYFDW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438955', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[S:15][c:8]2[n:9][c:7]([n:10][n:11]2[H:21])[N+:12](=[O:14])[O-:13])[H:19])[H:17]', inchi_key='DXXTXUZTWRYFDW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438956', cmiles='[H:16][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:18])[H:20])[S:15][c:8]2[n:9][c:7]([n:10][n:11]2[H:21])[N+:12](=[O:14])[O-:13])[H:19])[H:17]', inchi_key='DXXTXUZTWRYFDW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18438957', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:19])[n:12][c:7]([s:16]2)[N:15]([H:28])/[N:13]=[C:10](\\[C:8](=[C:9](\\[H:22])/[C:11]([H:23])([H:24])[H:25])\\[H:21])/[N:14]([H:26])[H:27])[H:20])[H:18]', inchi_key='OTEXYJYNIJROST-DJWKRKHSSA-N'), OptimizationResult(type='optimization', record_id='18438958', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:19])[n:12][c:7]([s:16]2)[N:15]([H:28])/[N:13]=[C:10](\\[C:8](=[C:9](\\[H:22])/[C:11]([H:23])([H:24])[H:25])\\[H:21])/[N:14]([H:26])[H:27])[H:20])[H:18]', inchi_key='OTEXYJYNIJROST-DJWKRKHSSA-N'), OptimizationResult(type='optimization', record_id='18438967', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:19])[n:12][c:7]([s:16]2)[N:15]([H:28])/[N:13]=[C:10](\\[C:8](=[C:9](\\[H:22])/[C:11]([H:23])([H:24])[H:25])\\[H:21])/[N:14]([H:26])[H:27])[H:20])[H:18]', inchi_key='OTEXYJYNIJROST-DJWKRKHSSA-N'), OptimizationResult(type='optimization', record_id='18439005', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:19])[n:12][c:7]([s:16]2)[N:15]([H:28])/[N:13]=[C:10](\\[C:8](=[C:9](\\[H:22])/[C:11]([H:23])([H:24])[H:25])\\[H:21])/[N:14]([H:26])[H:27])[H:20])[H:18]', inchi_key='OTEXYJYNIJROST-DJWKRKHSSA-N'), OptimizationResult(type='optimization', record_id='18439006', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:19])[n:12][c:7]([s:16]2)[N:15]([H:28])/[N:13]=[C:10](\\[C:8](=[C:9](\\[H:22])/[C:11]([H:23])([H:24])[H:25])\\[H:21])/[N:14]([H:26])[H:27])[H:20])[H:18]', inchi_key='OTEXYJYNIJROST-DJWKRKHSSA-N'), OptimizationResult(type='optimization', record_id='18439007', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]2[c:5]([c:3]1[H:19])[n:12][c:7]([s:16]2)[N:15]([H:28])/[N:13]=[C:10](\\[C:8](=[C:9](\\[H:22])/[C:11]([H:23])([H:24])[H:25])\\[H:21])/[N:14]([H:26])[H:27])[H:20])[H:18]', inchi_key='OTEXYJYNIJROST-DJWKRKHSSA-N'), OptimizationResult(type='optimization', record_id='18439008', cmiles='[H:22][c:1]1[c:2]([c:9]([c:10]2[c:11]([c:5]1[H:26])[s:20][c:13]([n:16]2)[N:17]([H:35])[S:21](=[O:18])(=[O:19])[c:12]3[c:6]([c:3]([c:8]([c:4]([c:7]3[H:28])[H:25])[C:14]([H:29])([H:30])[H:31])[H:24])[H:27])[C:15]([H:32])([H:33])[H:34])[H:23]', inchi_key='LEDHIHBPHFWOJH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439009', cmiles='[H:22][c:1]1[c:2]([c:9]([c:10]2[c:11]([c:5]1[H:26])[s:20][c:13]([n:16]2)[N:17]([H:35])[S:21](=[O:18])(=[O:19])[c:12]3[c:6]([c:3]([c:8]([c:4]([c:7]3[H:28])[H:25])[C:14]([H:29])([H:30])[H:31])[H:24])[H:27])[C:15]([H:32])([H:33])[H:34])[H:23]', inchi_key='LEDHIHBPHFWOJH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439010', cmiles='[H:22][c:1]1[c:2]([c:9]([c:10]2[c:11]([c:5]1[H:26])[s:20][c:13]([n:16]2)[N:17]([H:35])[S:21](=[O:18])(=[O:19])[c:12]3[c:6]([c:3]([c:8]([c:4]([c:7]3[H:28])[H:25])[C:14]([H:29])([H:30])[H:31])[H:24])[H:27])[C:15]([H:32])([H:33])[H:34])[H:23]', inchi_key='LEDHIHBPHFWOJH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439011', cmiles='[H:22][c:1]1[c:2]([c:9]([c:10]2[c:11]([c:5]1[H:26])[s:20][c:13]([n:16]2)[N:17]([H:35])[S:21](=[O:18])(=[O:19])[c:12]3[c:6]([c:3]([c:8]([c:4]([c:7]3[H:28])[H:25])[C:14]([H:29])([H:30])[H:31])[H:24])[H:27])[C:15]([H:32])([H:33])[H:34])[H:23]', inchi_key='LEDHIHBPHFWOJH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439012', cmiles='[H:22][c:1]1[c:2]([c:9]([c:10]2[c:11]([c:5]1[H:26])[s:20][c:13]([n:16]2)[N:17]([H:35])[S:21](=[O:18])(=[O:19])[c:12]3[c:6]([c:3]([c:8]([c:4]([c:7]3[H:28])[H:25])[C:14]([H:29])([H:30])[H:31])[H:24])[H:27])[C:15]([H:32])([H:33])[H:34])[H:23]', inchi_key='LEDHIHBPHFWOJH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439013', cmiles='[H:22][c:1]1[c:2]([c:9]([c:10]2[c:11]([c:5]1[H:26])[s:20][c:13]([n:16]2)[N:17]([H:35])[S:21](=[O:18])(=[O:19])[c:12]3[c:6]([c:3]([c:8]([c:4]([c:7]3[H:28])[H:25])[C:14]([H:29])([H:30])[H:31])[H:24])[H:27])[C:15]([H:32])([H:33])[H:34])[H:23]', inchi_key='LEDHIHBPHFWOJH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439014', cmiles='[H:22][c:1]1[c:2]([c:9]([c:10]2[c:11]([c:5]1[H:26])[s:20][c:13]([n:16]2)[N:17]([H:35])[S:21](=[O:18])(=[O:19])[c:12]3[c:6]([c:3]([c:8]([c:4]([c:7]3[H:28])[H:25])[C:14]([H:29])([H:30])[H:31])[H:24])[H:27])[C:15]([H:32])([H:33])[H:34])[H:23]', inchi_key='LEDHIHBPHFWOJH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439015', cmiles='[H:22][c:1]1[c:2]([c:9]([c:10]2[c:11]([c:5]1[H:26])[s:20][c:13]([n:16]2)[N:17]([H:35])[S:21](=[O:18])(=[O:19])[c:12]3[c:6]([c:3]([c:8]([c:4]([c:7]3[H:28])[H:25])[C:14]([H:29])([H:30])[H:31])[H:24])[H:27])[C:15]([H:32])([H:33])[H:34])[H:23]', inchi_key='LEDHIHBPHFWOJH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439016', cmiles='[H:22][c:1]1[c:2]([c:9]([c:10]2[c:11]([c:5]1[H:26])[s:20][c:13]([n:16]2)[N:17]([H:35])[S:21](=[O:18])(=[O:19])[c:12]3[c:6]([c:3]([c:8]([c:4]([c:7]3[H:28])[H:25])[C:14]([H:29])([H:30])[H:31])[H:24])[H:27])[C:15]([H:32])([H:33])[H:34])[H:23]', inchi_key='LEDHIHBPHFWOJH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439017', cmiles='[H:22][c:1]1[c:2]([c:9]([c:10]2[c:11]([c:5]1[H:26])[s:20][c:13]([n:16]2)[N:17]([H:35])[S:21](=[O:18])(=[O:19])[c:12]3[c:6]([c:3]([c:8]([c:4]([c:7]3[H:28])[H:25])[C:14]([H:29])([H:30])[H:31])[H:24])[H:27])[C:15]([H:32])([H:33])[H:34])[H:23]', inchi_key='LEDHIHBPHFWOJH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439018', cmiles='[H:22][c:1]1[c:2]([c:9]([c:10]2[c:11]([c:5]1[H:26])[s:20][c:13]([n:16]2)[N:17]([H:35])[S:21](=[O:18])(=[O:19])[c:12]3[c:6]([c:3]([c:8]([c:4]([c:7]3[H:28])[H:25])[C:14]([H:29])([H:30])[H:31])[H:24])[H:27])[C:15]([H:32])([H:33])[H:34])[H:23]', inchi_key='LEDHIHBPHFWOJH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439019', cmiles='[H:22][c:1]1[c:2]([c:9]([c:10]2[c:11]([c:5]1[H:26])[s:20][c:13]([n:16]2)[N:17]([H:35])[S:21](=[O:18])(=[O:19])[c:12]3[c:6]([c:3]([c:8]([c:4]([c:7]3[H:28])[H:25])[C:14]([H:29])([H:30])[H:31])[H:24])[H:27])[C:15]([H:32])([H:33])[H:34])[H:23]', inchi_key='LEDHIHBPHFWOJH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439020', cmiles='[H:22][c:1]1[c:2]([c:9]([c:10]2[c:11]([c:5]1[H:26])[s:20][c:13]([n:16]2)[N:17]([H:35])[S:21](=[O:18])(=[O:19])[c:12]3[c:6]([c:3]([c:8]([c:4]([c:7]3[H:28])[H:25])[C:14]([H:29])([H:30])[H:31])[H:24])[H:27])[C:15]([H:32])([H:33])[H:34])[H:23]', inchi_key='LEDHIHBPHFWOJH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439021', cmiles='[H:15][c:1]1[c:2]([c:8]([c:3]([c:5]2[c:7]1[n:11]([c:4]([c:6]2/[C:9](=[N:10]\\[O:13][H:22])/[N:12]([H:20])[H:21])[H:18])[H:19])[H:17])[F:14])[H:16]', inchi_key='DLUQBLWEEIYFIC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439022', cmiles='[H:15][c:1]1[c:2]([c:8]([c:3]([c:5]2[c:7]1[n:11]([c:4]([c:6]2/[C:9](=[N:10]\\[O:13][H:22])/[N:12]([H:20])[H:21])[H:18])[H:19])[H:17])[F:14])[H:16]', inchi_key='DLUQBLWEEIYFIC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439023', cmiles='[H:14][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[O:12][C:8]([H:17])([H:18])[H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[H:16])[Br:13])[H:15]', inchi_key='MNBJKPWKKFURMB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439024', cmiles='[H:14][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[O:12][C:8]([H:17])([H:18])[H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[H:16])[Br:13])[H:15]', inchi_key='MNBJKPWKKFURMB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439025', cmiles='[H:14][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[O:12][C:8]([H:17])([H:18])[H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[H:16])[Br:13])[H:15]', inchi_key='MNBJKPWKKFURMB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439026', cmiles='[H:14][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[O:12][C:8]([H:17])([H:18])[H:19])/[C:7](=[N:9]/[O:11][H:22])/[N:10]([H:20])[H:21])[H:16])[Br:13])[H:15]', inchi_key='MNBJKPWKKFURMB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439027', cmiles='[H:12][c:1]1[c:2]([c:4]([n:7]([c:3]1[H:14])[H:16])[C@:5]([H:15])([C:6]([F:9])([F:10])[F:11])[N:8]([H:17])[H:18])[H:13]', inchi_key='CKAFTWICCFIDKC-RXMQYKEDSA-N'), OptimizationResult(type='optimization', record_id='18439028', cmiles='[H:12][c:1]1[c:2]([c:4]([n:7]([c:3]1[H:14])[H:16])[C@:5]([H:15])([C:6]([F:9])([F:10])[F:11])[N:8]([H:17])[H:18])[H:13]', inchi_key='CKAFTWICCFIDKC-RXMQYKEDSA-N'), OptimizationResult(type='optimization', record_id='18439029', cmiles='[H:22][c:2]1[c:5]([c:9]([c:13]([c:10]([c:6]1[H:26])[C:1]#[N:17])[S:21](=[O:19])(=[O:20])[N@@:18]2[c:12]3[c:8]([c:4]([c:3]([c:7]([c:11]3[C:14]([C:15]([C:16]2([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])[H:27])[H:23])[H:24])[H:28])[H:29])[H:25]', inchi_key='QXTNGWCWXZIGLK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439030', cmiles='[H:22][c:2]1[c:5]([c:9]([c:13]([c:10]([c:6]1[H:26])[C:1]#[N:17])[S:21](=[O:19])(=[O:20])[N@@:18]2[c:12]3[c:8]([c:4]([c:3]([c:7]([c:11]3[C:14]([C:15]([C:16]2([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])[H:27])[H:23])[H:24])[H:28])[H:29])[H:25]', inchi_key='QXTNGWCWXZIGLK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439031', cmiles='[H:22][c:2]1[c:5]([c:9]([c:13]([c:10]([c:6]1[H:26])[C:1]#[N:17])[S:21](=[O:19])(=[O:20])[N@@:18]2[c:12]3[c:8]([c:4]([c:3]([c:7]([c:11]3[C:14]([C:15]([C:16]2([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])[H:27])[H:23])[H:24])[H:28])[H:29])[H:25]', inchi_key='QXTNGWCWXZIGLK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439032', cmiles='[H:22][c:2]1[c:5]([c:9]([c:13]([c:10]([c:6]1[H:26])[C:1]#[N:17])[S:21](=[O:19])(=[O:20])[N@@:18]2[c:12]3[c:8]([c:4]([c:3]([c:7]([c:11]3[C:14]([C:15]([C:16]2([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])[H:27])[H:23])[H:24])[H:28])[H:29])[H:25]', inchi_key='QXTNGWCWXZIGLK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439033', cmiles='[H:26][C:6]1([C@:10]2([C:5]([C:3]([C:7]([N:14]([C:9]2([H:32])[H:33])[C:2](=[O:16])[C:12]([H:37])([H:38])[C:1]#[N:13])([H:28])[H:29])([H:20])[H:21])([H:24])[H:25])[N@:15]([C:8]([C:4]1([H:22])[H:23])([H:30])[H:31])[S:19](=[O:17])(=[O:18])[C:11]([H:34])([H:35])[H:36])[H:27]', inchi_key='SUTCJYRIIKEOOZ-LBPRGKRZSA-N'), OptimizationResult(type='optimization', record_id='18439034', cmiles='[H:26][C:6]1([C@:10]2([C:5]([C:3]([C:7]([N:14]([C:9]2([H:32])[H:33])[C:2](=[O:16])[C:12]([H:37])([H:38])[C:1]#[N:13])([H:28])[H:29])([H:20])[H:21])([H:24])[H:25])[N@:15]([C:8]([C:4]1([H:22])[H:23])([H:30])[H:31])[S:19](=[O:17])(=[O:18])[C:11]([H:34])([H:35])[H:36])[H:27]', inchi_key='SUTCJYRIIKEOOZ-LBPRGKRZSA-N'), OptimizationResult(type='optimization', record_id='18439035', cmiles='[H:26][C:6]1([C@:10]2([C:5]([C:3]([C:7]([N:14]([C:9]2([H:32])[H:33])[C:2](=[O:16])[C:12]([H:37])([H:38])[C:1]#[N:13])([H:28])[H:29])([H:20])[H:21])([H:24])[H:25])[N@:15]([C:8]([C:4]1([H:22])[H:23])([H:30])[H:31])[S:19](=[O:17])(=[O:18])[C:11]([H:34])([H:35])[H:36])[H:27]', inchi_key='SUTCJYRIIKEOOZ-LBPRGKRZSA-N'), OptimizationResult(type='optimization', record_id='18439036', cmiles='[H:26][C:6]1([C@:10]2([C:5]([C:3]([C:7]([N:14]([C:9]2([H:32])[H:33])[C:2](=[O:16])[C:12]([H:37])([H:38])[C:1]#[N:13])([H:28])[H:29])([H:20])[H:21])([H:24])[H:25])[N@:15]([C:8]([C:4]1([H:22])[H:23])([H:30])[H:31])[S:19](=[O:17])(=[O:18])[C:11]([H:34])([H:35])[H:36])[H:27]', inchi_key='SUTCJYRIIKEOOZ-LBPRGKRZSA-N'), OptimizationResult(type='optimization', record_id='18439037', cmiles='[H:26][C:6]1([C@:10]2([C:5]([C:3]([C:7]([N:14]([C:9]2([H:32])[H:33])[C:2](=[O:16])[C:12]([H:37])([H:38])[C:1]#[N:13])([H:28])[H:29])([H:20])[H:21])([H:24])[H:25])[N@:15]([C:8]([C:4]1([H:22])[H:23])([H:30])[H:31])[S:19](=[O:17])(=[O:18])[C:11]([H:34])([H:35])[H:36])[H:27]', inchi_key='SUTCJYRIIKEOOZ-LBPRGKRZSA-N'), OptimizationResult(type='optimization', record_id='18439038', cmiles='[H:26][C:6]1([C@:10]2([C:5]([C:3]([C:7]([N:14]([C:9]2([H:32])[H:33])[C:2](=[O:16])[C:12]([H:37])([H:38])[C:1]#[N:13])([H:28])[H:29])([H:20])[H:21])([H:24])[H:25])[N@:15]([C:8]([C:4]1([H:22])[H:23])([H:30])[H:31])[S:19](=[O:17])(=[O:18])[C:11]([H:34])([H:35])[H:36])[H:27]', inchi_key='SUTCJYRIIKEOOZ-LBPRGKRZSA-N'), OptimizationResult(type='optimization', record_id='18439039', cmiles='[H:26][C:6]1([C@:10]2([C:5]([C:3]([C:7]([N:14]([C:9]2([H:32])[H:33])[C:2](=[O:16])[C:12]([H:37])([H:38])[C:1]#[N:13])([H:28])[H:29])([H:20])[H:21])([H:24])[H:25])[N@:15]([C:8]([C:4]1([H:22])[H:23])([H:30])[H:31])[S:19](=[O:17])(=[O:18])[C:11]([H:34])([H:35])[H:36])[H:27]', inchi_key='SUTCJYRIIKEOOZ-LBPRGKRZSA-N'), OptimizationResult(type='optimization', record_id='18439040', cmiles='[H:26][C:6]1([C@:10]2([C:5]([C:3]([C:7]([N:14]([C:9]2([H:32])[H:33])[C:2](=[O:16])[C:12]([H:37])([H:38])[C:1]#[N:13])([H:28])[H:29])([H:20])[H:21])([H:24])[H:25])[N@:15]([C:8]([C:4]1([H:22])[H:23])([H:30])[H:31])[S:19](=[O:17])(=[O:18])[C:11]([H:34])([H:35])[H:36])[H:27]', inchi_key='SUTCJYRIIKEOOZ-LBPRGKRZSA-N'), OptimizationResult(type='optimization', record_id='18439041', cmiles='[H:26][C:6]1([C@:10]2([C:5]([C:3]([C:7]([N:14]([C:9]2([H:32])[H:33])[C:2](=[O:16])[C:12]([H:37])([H:38])[C:1]#[N:13])([H:28])[H:29])([H:20])[H:21])([H:24])[H:25])[N@:15]([C:8]([C:4]1([H:22])[H:23])([H:30])[H:31])[S:19](=[O:17])(=[O:18])[C:11]([H:34])([H:35])[H:36])[H:27]', inchi_key='SUTCJYRIIKEOOZ-LBPRGKRZSA-N'), OptimizationResult(type='optimization', record_id='18439042', cmiles='[H:26][C:6]1([C@:10]2([C:5]([C:3]([C:7]([N:14]([C:9]2([H:32])[H:33])[C:2](=[O:16])[C:12]([H:37])([H:38])[C:1]#[N:13])([H:28])[H:29])([H:20])[H:21])([H:24])[H:25])[N@:15]([C:8]([C:4]1([H:22])[H:23])([H:30])[H:31])[S:19](=[O:17])(=[O:18])[C:11]([H:34])([H:35])[H:36])[H:27]', inchi_key='SUTCJYRIIKEOOZ-LBPRGKRZSA-N'), OptimizationResult(type='optimization', record_id='18439055', cmiles='[H:26][C:6]1([C@:10]2([C:5]([C:3]([C:7]([N:14]([C:9]2([H:32])[H:33])[C:2](=[O:16])[C:12]([H:37])([H:38])[C:1]#[N:13])([H:28])[H:29])([H:20])[H:21])([H:24])[H:25])[N@:15]([C:8]([C:4]1([H:22])[H:23])([H:30])[H:31])[S:19](=[O:17])(=[O:18])[C:11]([H:34])([H:35])[H:36])[H:27]', inchi_key='SUTCJYRIIKEOOZ-LBPRGKRZSA-N'), OptimizationResult(type='optimization', record_id='18439056', cmiles='[H:19][c:1]1[c:2]([c:4]([c:10]([c:5]([c:3]1[H:21])[H:23])/[C:13](=[C:14](\\[H:29])/[S:17](=[O:15])(=[O:16])[c:11]2[c:6]([c:8]([c:12]([c:9]([c:7]2[H:25])[H:27])[Cl:18])[H:26])[H:24])/[H:28])[H:22])[H:20]', inchi_key='XFKKDQDMHNCJRT-ZHACJKMWSA-N'), OptimizationResult(type='optimization', record_id='18439057', cmiles='[H:19][c:1]1[c:2]([c:4]([c:10]([c:5]([c:3]1[H:21])[H:23])/[C:13](=[C:14](\\[H:29])/[S:17](=[O:15])(=[O:16])[c:11]2[c:6]([c:8]([c:12]([c:9]([c:7]2[H:25])[H:27])[Cl:18])[H:26])[H:24])/[H:28])[H:22])[H:20]', inchi_key='XFKKDQDMHNCJRT-ZHACJKMWSA-N'), OptimizationResult(type='optimization', record_id='18439058', cmiles='[H:18][c:1]1[c:3]([c:6]([c:4]([c:2]([c:5]1[C:10]([H:24])([H:25])[H:26])[H:19])[H:21])[S:17](=[O:14])(=[O:15])/[N:11]=[C:8]\\2/[N:12]([C:7](=[O:13])[C:9]([S:16]2)([H:22])[H:23])[H:27])[H:20]', inchi_key='XFYKTBKTAXHSAH-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439059', cmiles='[H:18][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:16])[Cl:17])[S:15](=[O:11])(=[O:12])[N:10]([H:22])[c:6]2[n:9][n:8][c:5]([s:14]2)[C:7]([H:19])([H:20])[H:21]', inchi_key='LPJBQPVOLOQSMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439060', cmiles='[H:18][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:16])[Cl:17])[S:15](=[O:11])(=[O:12])[N:10]([H:22])[c:6]2[n:9][n:8][c:5]([s:14]2)[C:7]([H:19])([H:20])[H:21]', inchi_key='LPJBQPVOLOQSMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439061', cmiles='[H:18][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:16])[Cl:17])[S:15](=[O:11])(=[O:12])[N:10]([H:22])[c:6]2[n:9][n:8][c:5]([s:14]2)[C:7]([H:19])([H:20])[H:21]', inchi_key='LPJBQPVOLOQSMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439062', cmiles='[H:18][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:16])[Cl:17])[S:15](=[O:11])(=[O:12])[N:10]([H:22])[c:6]2[n:9][n:8][c:5]([s:14]2)[C:7]([H:19])([H:20])[H:21]', inchi_key='LPJBQPVOLOQSMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439110', cmiles='[H:18][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:16])[Cl:17])[S:15](=[O:11])(=[O:12])[N:10]([H:22])[c:6]2[n:9][n:8][c:5]([s:14]2)[C:7]([H:19])([H:20])[H:21]', inchi_key='LPJBQPVOLOQSMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439111', cmiles='[H:18][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:16])[Cl:17])[S:15](=[O:11])(=[O:12])[N:10]([H:22])[c:6]2[n:9][n:8][c:5]([s:14]2)[C:7]([H:19])([H:20])[H:21]', inchi_key='LPJBQPVOLOQSMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439112', cmiles='[H:18][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:16])[Cl:17])[S:15](=[O:11])(=[O:12])[N:10]([H:22])[c:6]2[n:9][n:8][c:5]([s:14]2)[C:7]([H:19])([H:20])[H:21]', inchi_key='LPJBQPVOLOQSMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439113', cmiles='[H:18][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:16])[Cl:17])[S:15](=[O:11])(=[O:12])[N:10]([H:22])[c:6]2[n:9][n:8][c:5]([s:14]2)[C:7]([H:19])([H:20])[H:21]', inchi_key='LPJBQPVOLOQSMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439114', cmiles='[H:18][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:16])[Cl:17])[S:15](=[O:11])(=[O:12])[N:10]([H:22])[c:6]2[n:9][n:8][c:5]([s:14]2)[C:7]([H:19])([H:20])[H:21]', inchi_key='LPJBQPVOLOQSMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439115', cmiles='[H:18][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:16])[Cl:17])[S:15](=[O:11])(=[O:12])[N:10]([H:22])[c:6]2[n:9][n:8][c:5]([s:14]2)[C:7]([H:19])([H:20])[H:21]', inchi_key='LPJBQPVOLOQSMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439116', cmiles='[H:18][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:16])[Cl:17])[S:15](=[O:11])(=[O:12])[N:10]([H:22])[c:6]2[n:9][n:8][c:5]([s:14]2)[C:7]([H:19])([H:20])[H:21]', inchi_key='LPJBQPVOLOQSMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439117', cmiles='[H:18][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:16])[Cl:17])[S:15](=[O:11])(=[O:12])[N:10]([H:22])[c:6]2[n:9][n:8][c:5]([s:14]2)[C:7]([H:19])([H:20])[H:21]', inchi_key='LPJBQPVOLOQSMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439118', cmiles='[H:18][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:16])[Cl:17])[S:15](=[O:11])(=[O:12])[N:10]([H:22])[c:6]2[n:9][n:8][c:5]([s:14]2)[C:7]([H:19])([H:20])[H:21]', inchi_key='LPJBQPVOLOQSMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439119', cmiles='[H:18][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:16])[Cl:17])[S:15](=[O:11])(=[O:12])[N:10]([H:22])[c:6]2[n:9][n:8][c:5]([s:14]2)[C:7]([H:19])([H:20])[H:21]', inchi_key='LPJBQPVOLOQSMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439120', cmiles='[H:18][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:16])[Cl:17])[S:15](=[O:11])(=[O:12])[N:10]([H:22])[c:6]2[n:9][n:8][c:5]([s:14]2)[C:7]([H:19])([H:20])[H:21]', inchi_key='LPJBQPVOLOQSMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439121', cmiles='[H:18][c:1]1[c:2]([c:4]([s:13][c:3]1[Cl:16])[Cl:17])[S:15](=[O:11])(=[O:12])[N:10]([H:22])[c:6]2[n:9][n:8][c:5]([s:14]2)[C:7]([H:19])([H:20])[H:21]', inchi_key='LPJBQPVOLOQSMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439122', cmiles='[H:21][c:1]1[c:3]([c:9]([c:4]([c:2]([c:8]1[C:14]([H:31])([H:32])[H:33])[H:22])[H:24])[N:16]([H:34])/[N:15]=[C:11]\\2/[c:7]3[c:5]([c:6]([s:19][c:10]3[S:20](=[O:17])(=[O:18])[C:13]([C:12]2([H:27])[H:28])([H:29])[H:30])[H:26])[H:25])[H:23]', inchi_key='CLMKLMVYNIEQEY-DTQAZKPQSA-N'), OptimizationResult(type='optimization', record_id='18439123', cmiles='[H:21][c:1]1[c:3]([c:9]([c:4]([c:2]([c:8]1[C:14]([H:31])([H:32])[H:33])[H:22])[H:24])[N:16]([H:34])/[N:15]=[C:11]\\2/[c:7]3[c:5]([c:6]([s:19][c:10]3[S:20](=[O:17])(=[O:18])[C:13]([C:12]2([H:27])[H:28])([H:29])[H:30])[H:26])[H:25])[H:23]', inchi_key='CLMKLMVYNIEQEY-DTQAZKPQSA-N'), OptimizationResult(type='optimization', record_id='18439124', cmiles='[H:26][c:1]1[c:2]([c:6]([c:12]2[c:11]([c:5]1[H:30])[c:7]([c:9]([c:15]([c:13]2/[C:18](=[N:22]/[N:21]=[c:17]\\3/[n:23]([c:14]4[c:8]([c:3]([c:4]([c:10]([c:16]4[s:25]3)[H:35])[H:29])[H:28])[H:33])[C:19]([H:37])([H:38])[H:39])/[H:36])[O:24][C:20]([H:40])([H:41])[H:42])[H:34])[H:32])[H:31])[H:27]', inchi_key='UWRVOMQCJOLVES-JFNKQFOPSA-N'), OptimizationResult(type='optimization', record_id='18439125', cmiles='[H:26][c:1]1[c:2]([c:6]([c:12]2[c:11]([c:5]1[H:30])[c:7]([c:9]([c:15]([c:13]2/[C:18](=[N:22]/[N:21]=[c:17]\\3/[n:23]([c:14]4[c:8]([c:3]([c:4]([c:10]([c:16]4[s:25]3)[H:35])[H:29])[H:28])[H:33])[C:19]([H:37])([H:38])[H:39])/[H:36])[O:24][C:20]([H:40])([H:41])[H:42])[H:34])[H:32])[H:31])[H:27]', inchi_key='UWRVOMQCJOLVES-JFNKQFOPSA-N'), OptimizationResult(type='optimization', record_id='18439126', cmiles='[H:26][c:1]1[c:2]([c:6]([c:12]2[c:11]([c:5]1[H:30])[c:7]([c:9]([c:15]([c:13]2/[C:18](=[N:22]/[N:21]=[c:17]\\3/[n:23]([c:14]4[c:8]([c:3]([c:4]([c:10]([c:16]4[s:25]3)[H:35])[H:29])[H:28])[H:33])[C:19]([H:37])([H:38])[H:39])/[H:36])[O:24][C:20]([H:40])([H:41])[H:42])[H:34])[H:32])[H:31])[H:27]', inchi_key='UWRVOMQCJOLVES-JFNKQFOPSA-N'), OptimizationResult(type='optimization', record_id='18439127', cmiles='[H:26][c:1]1[c:2]([c:6]([c:12]2[c:11]([c:5]1[H:30])[c:7]([c:9]([c:15]([c:13]2/[C:18](=[N:22]/[N:21]=[c:17]\\3/[n:23]([c:14]4[c:8]([c:3]([c:4]([c:10]([c:16]4[s:25]3)[H:35])[H:29])[H:28])[H:33])[C:19]([H:37])([H:38])[H:39])/[H:36])[O:24][C:20]([H:40])([H:41])[H:42])[H:34])[H:32])[H:31])[H:27]', inchi_key='UWRVOMQCJOLVES-JFNKQFOPSA-N'), OptimizationResult(type='optimization', record_id='18439128', cmiles='[H:26][c:1]1[c:2]([c:6]([c:12]2[c:11]([c:5]1[H:30])[c:7]([c:9]([c:15]([c:13]2/[C:18](=[N:22]/[N:21]=[c:17]\\3/[n:23]([c:14]4[c:8]([c:3]([c:4]([c:10]([c:16]4[s:25]3)[H:35])[H:29])[H:28])[H:33])[C:19]([H:37])([H:38])[H:39])/[H:36])[O:24][C:20]([H:40])([H:41])[H:42])[H:34])[H:32])[H:31])[H:27]', inchi_key='UWRVOMQCJOLVES-JFNKQFOPSA-N'), OptimizationResult(type='optimization', record_id='18439129', cmiles='[H:26][c:1]1[c:2]([c:6]([c:12]2[c:11]([c:5]1[H:30])[c:7]([c:9]([c:15]([c:13]2/[C:18](=[N:22]/[N:21]=[c:17]\\3/[n:23]([c:14]4[c:8]([c:3]([c:4]([c:10]([c:16]4[s:25]3)[H:35])[H:29])[H:28])[H:33])[C:19]([H:37])([H:38])[H:39])/[H:36])[O:24][C:20]([H:40])([H:41])[H:42])[H:34])[H:32])[H:31])[H:27]', inchi_key='UWRVOMQCJOLVES-JFNKQFOPSA-N'), OptimizationResult(type='optimization', record_id='18439130', cmiles='[H:20][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:22])[F:19])/[C:10](=[N:14]\\[N:16]([H:28])[c:9]2[n:13][n:12][c:7]([c:8](=[O:17])[n:15]2[H:27])[C:11]([H:24])([H:25])[H:26])/[H:23])[F:18])[H:21]', inchi_key='PSWZOFDDOGVWLR-RZNTYIFUSA-N'), OptimizationResult(type='optimization', record_id='18439131', cmiles='[H:20][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:22])[F:19])/[C:10](=[N:14]\\[N:16]([H:28])[c:9]2[n:13][n:12][c:7]([c:8](=[O:17])[n:15]2[H:27])[C:11]([H:24])([H:25])[H:26])/[H:23])[F:18])[H:21]', inchi_key='PSWZOFDDOGVWLR-RZNTYIFUSA-N'), OptimizationResult(type='optimization', record_id='18439132', cmiles='[H:20][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:22])[F:19])/[C:10](=[N:14]\\[N:16]([H:28])[c:9]2[n:13][n:12][c:7]([c:8](=[O:17])[n:15]2[H:27])[C:11]([H:24])([H:25])[H:26])/[H:23])[F:18])[H:21]', inchi_key='PSWZOFDDOGVWLR-RZNTYIFUSA-N'), OptimizationResult(type='optimization', record_id='18439133', cmiles='[H:20][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:22])[F:19])/[C:10](=[N:14]\\[N:16]([H:28])[c:9]2[n:13][n:12][c:7]([c:8](=[O:17])[n:15]2[H:27])[C:11]([H:24])([H:25])[H:26])/[H:23])[F:18])[H:21]', inchi_key='PSWZOFDDOGVWLR-RZNTYIFUSA-N'), OptimizationResult(type='optimization', record_id='18439134', cmiles='[H:20][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:22])[F:19])/[C:10](=[N:14]\\[N:16]([H:28])[c:9]2[n:13][n:12][c:7]([c:8](=[O:17])[n:15]2[H:27])[C:11]([H:24])([H:25])[H:26])/[H:23])[F:18])[H:21]', inchi_key='PSWZOFDDOGVWLR-RZNTYIFUSA-N'), OptimizationResult(type='optimization', record_id='18439135', cmiles='[H:20][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:22])[F:19])/[C:10](=[N:14]\\[N:16]([H:28])[c:9]2[n:13][n:12][c:7]([c:8](=[O:17])[n:15]2[H:27])[C:11]([H:24])([H:25])[H:26])/[H:23])[F:18])[H:21]', inchi_key='PSWZOFDDOGVWLR-RZNTYIFUSA-N'), OptimizationResult(type='optimization', record_id='18439136', cmiles='[H:20][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:22])[F:19])/[C:10](=[N:14]\\[N:16]([H:28])[c:9]2[n:13][n:12][c:7]([c:8](=[O:17])[n:15]2[H:27])[C:11]([H:24])([H:25])[H:26])/[H:23])[F:18])[H:21]', inchi_key='PSWZOFDDOGVWLR-RZNTYIFUSA-N'), OptimizationResult(type='optimization', record_id='18439137', cmiles='[H:20][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:22])[F:19])/[C:10](=[N:14]\\[N:16]([H:28])[c:9]2[n:13][n:12][c:7]([c:8](=[O:17])[n:15]2[H:27])[C:11]([H:24])([H:25])[H:26])/[H:23])[F:18])[H:21]', inchi_key='PSWZOFDDOGVWLR-RZNTYIFUSA-N'), OptimizationResult(type='optimization', record_id='18439138', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439139', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439140', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439203', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439204', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439205', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439206', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439207', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439233', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439234', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439235', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439236', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439237', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439238', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439239', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439240', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439241', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439242', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439243', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439244', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439245', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439246', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439247', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439248', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439249', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439250', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439251', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439252', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439253', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439254', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439255', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439256', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439257', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439258', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439259', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439277', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439317', cmiles='[H:41][C@@:12]1([C:5]([C@@:13]2([C@:14]([O:23]1)([C:11]([N@@:19]([C:6]([C:4]2([H:25])[H:26])([H:29])[H:30])[c:2]3[n:18][n:17][c:1]([s:24]3)[C:15]([H:44])([H:45])[H:46])([H:39])[H:40])[H:43])[H:42])([H:27])[H:28])[C:3](=[O:22])[N:20]4[C:7]([C:9]([N:21]([C:10]([C:8]4([H:33])[H:34])([H:37])[H:38])[C:16]([H:47])([H:48])[H:49])([H:35])[H:36])([H:31])[H:32]', inchi_key='YPAVJYOFAXWFTD-MGPQQGTHSA-N'), OptimizationResult(type='optimization', record_id='18439318', cmiles='[H:23][c:1]1[c:3]([c:7]2[c:4]([c:2]([c:6]([c:10]3[c:8]2[c:9]([c:5]1[H:27])[C:13](=[O:21])[N:20]3[C:16]([H:35])([H:36])[c:11]4[n:18][n:19][c:12]([o:22]4)[C:17]([H:37])([C:14]([H:29])([H:30])[H:31])[C:15]([H:32])([H:33])[H:34])[H:28])[H:24])[H:26])[H:25]', inchi_key='VUBVGNILSVOMDP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439319', cmiles='[H:23][c:1]1[c:3]([c:7]2[c:4]([c:2]([c:6]([c:10]3[c:8]2[c:9]([c:5]1[H:27])[C:13](=[O:21])[N:20]3[C:16]([H:35])([H:36])[c:11]4[n:18][n:19][c:12]([o:22]4)[C:17]([H:37])([C:14]([H:29])([H:30])[H:31])[C:15]([H:32])([H:33])[H:34])[H:28])[H:24])[H:26])[H:25]', inchi_key='VUBVGNILSVOMDP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439320', cmiles='[H:23][c:1]1[c:3]([c:7]2[c:4]([c:2]([c:6]([c:10]3[c:8]2[c:9]([c:5]1[H:27])[C:13](=[O:21])[N:20]3[C:16]([H:35])([H:36])[c:11]4[n:18][n:19][c:12]([o:22]4)[C:17]([H:37])([C:14]([H:29])([H:30])[H:31])[C:15]([H:32])([H:33])[H:34])[H:28])[H:24])[H:26])[H:25]', inchi_key='VUBVGNILSVOMDP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439321', cmiles='[H:23][c:1]1[c:3]([c:7]2[c:4]([c:2]([c:6]([c:10]3[c:8]2[c:9]([c:5]1[H:27])[C:13](=[O:21])[N:20]3[C:16]([H:35])([H:36])[c:11]4[n:18][n:19][c:12]([o:22]4)[C:17]([H:37])([C:14]([H:29])([H:30])[H:31])[C:15]([H:32])([H:33])[H:34])[H:28])[H:24])[H:26])[H:25]', inchi_key='VUBVGNILSVOMDP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439322', cmiles='[H:23][c:1]1[c:3]([c:7]2[c:4]([c:2]([c:6]([c:10]3[c:8]2[c:9]([c:5]1[H:27])[C:13](=[O:21])[N:20]3[C:16]([H:35])([H:36])[c:11]4[n:18][n:19][c:12]([o:22]4)[C:17]([H:37])([C:14]([H:29])([H:30])[H:31])[C:15]([H:32])([H:33])[H:34])[H:28])[H:24])[H:26])[H:25]', inchi_key='VUBVGNILSVOMDP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439323', cmiles='[H:23][c:1]1[c:3]([c:7]2[c:4]([c:2]([c:6]([c:10]3[c:8]2[c:9]([c:5]1[H:27])[C:13](=[O:21])[N:20]3[C:16]([H:35])([H:36])[c:11]4[n:18][n:19][c:12]([o:22]4)[C:17]([H:37])([C:14]([H:29])([H:30])[H:31])[C:15]([H:32])([H:33])[H:34])[H:28])[H:24])[H:26])[H:25]', inchi_key='VUBVGNILSVOMDP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439324', cmiles='[H:23][c:1]1[c:3]([c:7]2[c:4]([c:2]([c:6]([c:10]3[c:8]2[c:9]([c:5]1[H:27])[C:13](=[O:21])[N:20]3[C:16]([H:35])([H:36])[c:11]4[n:18][n:19][c:12]([o:22]4)[C:17]([H:37])([C:14]([H:29])([H:30])[H:31])[C:15]([H:32])([H:33])[H:34])[H:28])[H:24])[H:26])[H:25]', inchi_key='VUBVGNILSVOMDP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439353', cmiles='[H:23][c:1]1[c:3]([c:7]2[c:4]([c:2]([c:6]([c:10]3[c:8]2[c:9]([c:5]1[H:27])[C:13](=[O:21])[N:20]3[C:16]([H:35])([H:36])[c:11]4[n:18][n:19][c:12]([o:22]4)[C:17]([H:37])([C:14]([H:29])([H:30])[H:31])[C:15]([H:32])([H:33])[H:34])[H:28])[H:24])[H:26])[H:25]', inchi_key='VUBVGNILSVOMDP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439375', cmiles='[H:23][c:1]1[c:3]([c:7]2[c:4]([c:2]([c:6]([c:10]3[c:8]2[c:9]([c:5]1[H:27])[C:13](=[O:21])[N:20]3[C:16]([H:35])([H:36])[c:11]4[n:18][n:19][c:12]([o:22]4)[C:17]([H:37])([C:14]([H:29])([H:30])[H:31])[C:15]([H:32])([H:33])[H:34])[H:28])[H:24])[H:26])[H:25]', inchi_key='VUBVGNILSVOMDP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439376', cmiles='[H:23][c:1]1[c:3]([c:7]2[c:4]([c:2]([c:6]([c:10]3[c:8]2[c:9]([c:5]1[H:27])[C:13](=[O:21])[N:20]3[C:16]([H:35])([H:36])[c:11]4[n:18][n:19][c:12]([o:22]4)[C:17]([H:37])([C:14]([H:29])([H:30])[H:31])[C:15]([H:32])([H:33])[H:34])[H:28])[H:24])[H:26])[H:25]', inchi_key='VUBVGNILSVOMDP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439377', cmiles='[H:23][c:1]1[c:3]([c:7]2[c:4]([c:2]([c:6]([c:10]3[c:8]2[c:9]([c:5]1[H:27])[C:13](=[O:21])[N:20]3[C:16]([H:35])([H:36])[c:11]4[n:18][n:19][c:12]([o:22]4)[C:17]([H:37])([C:14]([H:29])([H:30])[H:31])[C:15]([H:32])([H:33])[H:34])[H:28])[H:24])[H:26])[H:25]', inchi_key='VUBVGNILSVOMDP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439378', cmiles='[H:23][c:1]1[c:3]([c:7]2[c:4]([c:2]([c:6]([c:10]3[c:8]2[c:9]([c:5]1[H:27])[C:13](=[O:21])[N:20]3[C:16]([H:35])([H:36])[c:11]4[n:18][n:19][c:12]([o:22]4)[C:17]([H:37])([C:14]([H:29])([H:30])[H:31])[C:15]([H:32])([H:33])[H:34])[H:28])[H:24])[H:26])[H:25]', inchi_key='VUBVGNILSVOMDP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439379', cmiles='[H:23][c:1]1[c:3]([c:7]2[c:4]([c:2]([c:6]([c:10]3[c:8]2[c:9]([c:5]1[H:27])[C:13](=[O:21])[N:20]3[C:16]([H:35])([H:36])[c:11]4[n:18][n:19][c:12]([o:22]4)[C:17]([H:37])([C:14]([H:29])([H:30])[H:31])[C:15]([H:32])([H:33])[H:34])[H:28])[H:24])[H:26])[H:25]', inchi_key='VUBVGNILSVOMDP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439380', cmiles='[H:23][c:1]1[c:3]([c:7]2[c:4]([c:2]([c:6]([c:10]3[c:8]2[c:9]([c:5]1[H:27])[C:13](=[O:21])[N:20]3[C:16]([H:35])([H:36])[c:11]4[n:18][n:19][c:12]([o:22]4)[C:17]([H:37])([C:14]([H:29])([H:30])[H:31])[C:15]([H:32])([H:33])[H:34])[H:28])[H:24])[H:26])[H:25]', inchi_key='VUBVGNILSVOMDP-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439381', cmiles='[H:19][c:1]1[c:2]([c:6]([c:12]([c:10]([c:3]1[H:21])/[N:16]=[N:15]\\[c:9]2[c:4]([c:5]([c:11]([c:8]([c:7]2[H:25])[C:13]([H:26])([H:27])[H:28])[N:17]([H:32])[H:33])[H:23])[H:22])[O:18][C:14]([H:29])([H:30])[H:31])[H:24])[H:20]', inchi_key='PAUQPPXARMMVRP-MSUUIHNZSA-N'), OptimizationResult(type='optimization', record_id='18439382', cmiles='[H:19][c:1]1[c:2]([c:6]([c:12]([c:10]([c:3]1[H:21])/[N:16]=[N:15]\\[c:9]2[c:4]([c:5]([c:11]([c:8]([c:7]2[H:25])[C:13]([H:26])([H:27])[H:28])[N:17]([H:32])[H:33])[H:23])[H:22])[O:18][C:14]([H:29])([H:30])[H:31])[H:24])[H:20]', inchi_key='PAUQPPXARMMVRP-MSUUIHNZSA-N'), OptimizationResult(type='optimization', record_id='18439383', cmiles='[H:19][c:1]1[c:2]([c:6]([c:12]([c:10]([c:3]1[H:21])/[N:16]=[N:15]\\[c:9]2[c:4]([c:5]([c:11]([c:8]([c:7]2[H:25])[C:13]([H:26])([H:27])[H:28])[N:17]([H:32])[H:33])[H:23])[H:22])[O:18][C:14]([H:29])([H:30])[H:31])[H:24])[H:20]', inchi_key='PAUQPPXARMMVRP-MSUUIHNZSA-N'), OptimizationResult(type='optimization', record_id='18439384', cmiles='[H:19][c:1]1[c:2]([c:6]([c:12]([c:10]([c:3]1[H:21])/[N:16]=[N:15]\\[c:9]2[c:4]([c:5]([c:11]([c:8]([c:7]2[H:25])[C:13]([H:26])([H:27])[H:28])[N:17]([H:32])[H:33])[H:23])[H:22])[O:18][C:14]([H:29])([H:30])[H:31])[H:24])[H:20]', inchi_key='PAUQPPXARMMVRP-MSUUIHNZSA-N'), OptimizationResult(type='optimization', record_id='18439385', cmiles='[H:9][C:2]([H:10])([H:11])[n:7]1[c:1]([n:4][n:5][n:6]1)[C:3]([H:12])([H:13])[N:8]([H:14])[H:15]', inchi_key='SQVYHZOAHYEQME-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439386', cmiles='[H:20][C:1]#[C:2][c:9]1[c:4]([c:3]([c:5]([c:11]([c:6]1[H:24])[N:16]([H:27])[C:14](=[O:17])[c:10]2[c:7]([c:12]([c:13]([n:15][c:8]2[H:26])[Cl:19])[Cl:18])[H:25])[H:23])[H:21])[H:22]', inchi_key='XXTVUOJJIJFUKF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439387', cmiles='[H:20][C:1]#[C:2][c:9]1[c:4]([c:3]([c:5]([c:11]([c:6]1[H:24])[N:16]([H:27])[C:14](=[O:17])[c:10]2[c:7]([c:12]([c:13]([n:15][c:8]2[H:26])[Cl:19])[Cl:18])[H:25])[H:23])[H:21])[H:22]', inchi_key='XXTVUOJJIJFUKF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439388', cmiles='[H:20][C:1]#[C:2][c:9]1[c:4]([c:3]([c:5]([c:11]([c:6]1[H:24])[N:16]([H:27])[C:14](=[O:17])[c:10]2[c:7]([c:12]([c:13]([n:15][c:8]2[H:26])[Cl:19])[Cl:18])[H:25])[H:23])[H:21])[H:22]', inchi_key='XXTVUOJJIJFUKF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439389', cmiles='[H:20][C:1]#[C:2][c:9]1[c:4]([c:3]([c:5]([c:11]([c:6]1[H:24])[N:16]([H:27])[C:14](=[O:17])[c:10]2[c:7]([c:12]([c:13]([n:15][c:8]2[H:26])[Cl:19])[Cl:18])[H:25])[H:23])[H:21])[H:22]', inchi_key='XXTVUOJJIJFUKF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439390', cmiles='[H:20][C:1]#[C:2][c:9]1[c:4]([c:3]([c:5]([c:11]([c:6]1[H:24])[N:16]([H:27])[C:14](=[O:17])[c:10]2[c:7]([c:12]([c:13]([n:15][c:8]2[H:26])[Cl:19])[Cl:18])[H:25])[H:23])[H:21])[H:22]', inchi_key='XXTVUOJJIJFUKF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439391', cmiles='[H:20][C:1]#[C:2][c:9]1[c:4]([c:3]([c:5]([c:11]([c:6]1[H:24])[N:16]([H:27])[C:14](=[O:17])[c:10]2[c:7]([c:12]([c:13]([n:15][c:8]2[H:26])[Cl:19])[Cl:18])[H:25])[H:23])[H:21])[H:22]', inchi_key='XXTVUOJJIJFUKF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439392', cmiles='[H:20][C:1]#[C:2][c:9]1[c:4]([c:3]([c:5]([c:11]([c:6]1[H:24])[N:16]([H:27])[C:14](=[O:17])[c:10]2[c:7]([c:12]([c:13]([n:15][c:8]2[H:26])[Cl:19])[Cl:18])[H:25])[H:23])[H:21])[H:22]', inchi_key='XXTVUOJJIJFUKF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439393', cmiles='[H:20][C:1]#[C:2][c:9]1[c:4]([c:3]([c:5]([c:11]([c:6]1[H:24])[N:16]([H:27])[C:14](=[O:17])[c:10]2[c:7]([c:12]([c:13]([n:15][c:8]2[H:26])[Cl:19])[Cl:18])[H:25])[H:23])[H:21])[H:22]', inchi_key='XXTVUOJJIJFUKF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439394', cmiles='[H:16][c:1]1[c:3]([c:4]([c:6]([c:2]([c:5]1[Br:14])[H:17])[Br:15])[N+:10](=[O:13])[O-:11])[N:9]([H:21])[C:7](=[O:12])[C:8]([H:18])([H:19])[H:20]', inchi_key='GEEGGWMAUYBKBT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439395', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[O:11][C:7]([F:12])([F:13])[F:14])[N+:8](=[O:10])[O-:9])[H:18])[Cl:15])[H:17]', inchi_key='HJUSPAGBVDNGSB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439396', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[O:11][C:7]([F:12])([F:13])[F:14])[N+:8](=[O:10])[O-:9])[H:18])[Cl:15])[H:17]', inchi_key='HJUSPAGBVDNGSB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439397', cmiles='[H:14][c:1]1[c:2]([c:5]([n:8][c:4]([c:3]1[C:7]([F:10])([F:11])[F:12])[C:6](=[O:9])[H:16])[Cl:13])[H:15]', inchi_key='YCRXWHRVPZXEMU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439398', cmiles='[H:14][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:16])[O:10][C:7]([F:11])([F:12])[F:13])[H:17])[N:9]([H:20])[N:8]([H:18])[H:19])[H:15]', inchi_key='PGUYGXWLFYYEFI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439399', cmiles='[H:14][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:16])[O:10][C:7]([F:11])([F:12])[F:13])[H:17])[N:9]([H:20])[N:8]([H:18])[H:19])[H:15]', inchi_key='PGUYGXWLFYYEFI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439400', cmiles='[H:14][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:16])[O:10][C:7]([F:11])([F:12])[F:13])[H:17])[N:9]([H:20])[N:8]([H:18])[H:19])[H:15]', inchi_key='PGUYGXWLFYYEFI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439401', cmiles='[H:14][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:16])[O:10][C:7]([F:11])([F:12])[F:13])[H:17])[N:9]([H:20])[N:8]([H:18])[H:19])[H:15]', inchi_key='PGUYGXWLFYYEFI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439402', cmiles='[H:13][c:1]1[c:3]([n:7][c:4]([c:2]([n:6]1)[H:14])[Cl:12])[S:11][C:5]([F:8])([F:9])[F:10]', inchi_key='ZGYUGGMMJRSUDW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439403', cmiles='[H:13][c:1]1[c:3]([n:7][c:4]([c:2]([n:6]1)[H:14])[Cl:12])[S:11][C:5]([F:8])([F:9])[F:10]', inchi_key='ZGYUGGMMJRSUDW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439404', cmiles='[H:13][c:1]1[c:3]([n:7][c:4]([c:2]([n:6]1)[H:14])[Cl:12])[S:11][C:5]([F:8])([F:9])[F:10]', inchi_key='ZGYUGGMMJRSUDW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439405', cmiles='[H:23][c:1]1[c:4]([c:8]([c:13]2[c:9]([c:5]1[H:27])[c:12]([c:14]([n:19]2[H:34])[C:15]([H:31])([H:32])[H:33])/[N:18]=[N:17]\\[c:11]3[c:7]([c:3]([c:2]([c:6]([c:10]3[C:16]([F:20])([F:21])[F:22])[H:28])[H:24])[H:25])[H:29])[H:30])[H:26]', inchi_key='RRGDBUBRTGQLAO-DQRAZIAOSA-N'), OptimizationResult(type='optimization', record_id='18439406', cmiles='[H:23][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:25])[N@:17]2[C:12]([C@:13]3([C:6](=[O:19])[N:18]([C:10]([C:7]([C:8]3([H:28])[H:29])([H:26])[H:27])([H:32])[H:33])[C:14]([H:38])([H:39])[H:40])[C:9]([C:11]2([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[C:15]([F:20])([F:21])[F:22])[H:24]', inchi_key='LYNQVHDGDKIBNG-CQSZACIVSA-N'), OptimizationResult(type='optimization', record_id='18439407', cmiles='[H:23][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:25])[N@:17]2[C:12]([C@:13]3([C:6](=[O:19])[N:18]([C:10]([C:7]([C:8]3([H:28])[H:29])([H:26])[H:27])([H:32])[H:33])[C:14]([H:38])([H:39])[H:40])[C:9]([C:11]2([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[C:15]([F:20])([F:21])[F:22])[H:24]', inchi_key='LYNQVHDGDKIBNG-CQSZACIVSA-N'), OptimizationResult(type='optimization', record_id='18439408', cmiles='[H:23][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:25])[N@:17]2[C:12]([C@:13]3([C:6](=[O:19])[N:18]([C:10]([C:7]([C:8]3([H:28])[H:29])([H:26])[H:27])([H:32])[H:33])[C:14]([H:38])([H:39])[H:40])[C:9]([C:11]2([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[C:15]([F:20])([F:21])[F:22])[H:24]', inchi_key='LYNQVHDGDKIBNG-CQSZACIVSA-N'), OptimizationResult(type='optimization', record_id='18439409', cmiles='[H:23][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:25])[N@:17]2[C:12]([C@:13]3([C:6](=[O:19])[N:18]([C:10]([C:7]([C:8]3([H:28])[H:29])([H:26])[H:27])([H:32])[H:33])[C:14]([H:38])([H:39])[H:40])[C:9]([C:11]2([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[C:15]([F:20])([F:21])[F:22])[H:24]', inchi_key='LYNQVHDGDKIBNG-CQSZACIVSA-N'), OptimizationResult(type='optimization', record_id='18439410', cmiles='[H:23][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:25])[N@:17]2[C:12]([C@:13]3([C:6](=[O:19])[N:18]([C:10]([C:7]([C:8]3([H:28])[H:29])([H:26])[H:27])([H:32])[H:33])[C:14]([H:38])([H:39])[H:40])[C:9]([C:11]2([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[C:15]([F:20])([F:21])[F:22])[H:24]', inchi_key='LYNQVHDGDKIBNG-CQSZACIVSA-N'), OptimizationResult(type='optimization', record_id='18439411', cmiles='[H:23][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:25])[N@:17]2[C:12]([C@:13]3([C:6](=[O:19])[N:18]([C:10]([C:7]([C:8]3([H:28])[H:29])([H:26])[H:27])([H:32])[H:33])[C:14]([H:38])([H:39])[H:40])[C:9]([C:11]2([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[C:15]([F:20])([F:21])[F:22])[H:24]', inchi_key='LYNQVHDGDKIBNG-CQSZACIVSA-N'), OptimizationResult(type='optimization', record_id='18439412', cmiles='[H:23][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:25])[N@:17]2[C:12]([C@:13]3([C:6](=[O:19])[N:18]([C:10]([C:7]([C:8]3([H:28])[H:29])([H:26])[H:27])([H:32])[H:33])[C:14]([H:38])([H:39])[H:40])[C:9]([C:11]2([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[C:15]([F:20])([F:21])[F:22])[H:24]', inchi_key='LYNQVHDGDKIBNG-CQSZACIVSA-N'), OptimizationResult(type='optimization', record_id='18439413', cmiles='[H:23][c:1]1[c:2]([c:4]([n:16][c:5]([c:3]1[H:25])[N@:17]2[C:12]([C@:13]3([C:6](=[O:19])[N:18]([C:10]([C:7]([C:8]3([H:28])[H:29])([H:26])[H:27])([H:32])[H:33])[C:14]([H:38])([H:39])[H:40])[C:9]([C:11]2([H:34])[H:35])([H:30])[H:31])([H:36])[H:37])[C:15]([F:20])([F:21])[F:22])[H:24]', inchi_key='LYNQVHDGDKIBNG-CQSZACIVSA-N'), OptimizationResult(type='optimization', record_id='18439414', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:5]([c:4]1[C@@:9]2([C:7]([C:8]([N:11]2[H:24])([H:21])[H:22])([H:19])[H:20])[H:23])[C:10]([F:13])([F:14])[F:15])[H:18])[F:12])[H:17]', inchi_key='ZIWLUGGEASUVJB-VIFPVBQESA-N'), OptimizationResult(type='optimization', record_id='18439415', cmiles='[H:13][c:1]1[c:2]([c:5]([c:6]([c:3]([c:4]1[C@:9]2([C:7]([C:8]([N:10]2[H:21])([H:18])[H:19])([H:16])[H:17])[H:20])[H:15])[F:12])[F:11])[H:14]', inchi_key='HKVNWGNTUHFFFA-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='18439416', cmiles='[H:13][c:1]1[c:2]([c:5]([c:6]([c:3]([c:4]1[C@:9]2([C:7]([C:8]([N:10]2[H:21])([H:18])[H:19])([H:16])[H:17])[H:20])[H:15])[F:12])[F:11])[H:14]', inchi_key='HKVNWGNTUHFFFA-SECBINFHSA-N'), OptimizationResult(type='optimization', record_id='18439417', cmiles='[H:24][c:1]1[c:3]([c:6]([c:4]([c:2]([c:5]1[C:18]2([C:12]([C:13]2([H:36])[H:37])([H:34])[H:35])[C:8](=[O:22])[N:20]3[C:14]([C@:16]4([C:7](=[O:21])[N:19]([C@@:17]([C:15]3([H:40])[H:41])([C:11]([C:9]([C:10]4([H:30])[H:31])([H:28])[H:29])([H:32])[H:33])[H:43])[H:44])[H:42])([H:38])[H:39])[H:25])[H:27])[F:23])[H:26]', inchi_key='JJCIFJWFZSYXOR-SWLSCSKDSA-N'), OptimizationResult(type='optimization', record_id='18439418', cmiles='[H:24][c:1]1[c:3]([c:6]([c:4]([c:2]([c:5]1[C:18]2([C:12]([C:13]2([H:36])[H:37])([H:34])[H:35])[C:8](=[O:22])[N:20]3[C:14]([C@:16]4([C:7](=[O:21])[N:19]([C@@:17]([C:15]3([H:40])[H:41])([C:11]([C:9]([C:10]4([H:30])[H:31])([H:28])[H:29])([H:32])[H:33])[H:43])[H:44])[H:42])([H:38])[H:39])[H:25])[H:27])[F:23])[H:26]', inchi_key='JJCIFJWFZSYXOR-SWLSCSKDSA-N'), OptimizationResult(type='optimization', record_id='18439419', cmiles='[H:24][c:1]1[c:3]([c:6]([c:4]([c:2]([c:5]1[C:18]2([C:12]([C:13]2([H:36])[H:37])([H:34])[H:35])[C:8](=[O:22])[N:20]3[C:14]([C@:16]4([C:7](=[O:21])[N:19]([C@@:17]([C:15]3([H:40])[H:41])([C:11]([C:9]([C:10]4([H:30])[H:31])([H:28])[H:29])([H:32])[H:33])[H:43])[H:44])[H:42])([H:38])[H:39])[H:25])[H:27])[F:23])[H:26]', inchi_key='JJCIFJWFZSYXOR-SWLSCSKDSA-N'), OptimizationResult(type='optimization', record_id='18439420', cmiles='[H:24][c:1]1[c:3]([c:6]([c:4]([c:2]([c:5]1[C:18]2([C:12]([C:13]2([H:36])[H:37])([H:34])[H:35])[C:8](=[O:22])[N:20]3[C:14]([C@:16]4([C:7](=[O:21])[N:19]([C@@:17]([C:15]3([H:40])[H:41])([C:11]([C:9]([C:10]4([H:30])[H:31])([H:28])[H:29])([H:32])[H:33])[H:43])[H:44])[H:42])([H:38])[H:39])[H:25])[H:27])[F:23])[H:26]', inchi_key='JJCIFJWFZSYXOR-SWLSCSKDSA-N'), OptimizationResult(type='optimization', record_id='18439421', cmiles='[H:24][c:1]1[c:3]([c:6]([c:4]([c:2]([c:5]1[C:18]2([C:12]([C:13]2([H:36])[H:37])([H:34])[H:35])[C:8](=[O:22])[N:20]3[C:14]([C@:16]4([C:7](=[O:21])[N:19]([C@@:17]([C:15]3([H:40])[H:41])([C:11]([C:9]([C:10]4([H:30])[H:31])([H:28])[H:29])([H:32])[H:33])[H:43])[H:44])[H:42])([H:38])[H:39])[H:25])[H:27])[F:23])[H:26]', inchi_key='JJCIFJWFZSYXOR-SWLSCSKDSA-N'), OptimizationResult(type='optimization', record_id='18439422', cmiles='[H:24][c:1]1[c:3]([c:6]([c:4]([c:2]([c:5]1[C:18]2([C:12]([C:13]2([H:36])[H:37])([H:34])[H:35])[C:8](=[O:22])[N:20]3[C:14]([C@:16]4([C:7](=[O:21])[N:19]([C@@:17]([C:15]3([H:40])[H:41])([C:11]([C:9]([C:10]4([H:30])[H:31])([H:28])[H:29])([H:32])[H:33])[H:43])[H:44])[H:42])([H:38])[H:39])[H:25])[H:27])[F:23])[H:26]', inchi_key='JJCIFJWFZSYXOR-SWLSCSKDSA-N'), OptimizationResult(type='optimization', record_id='18439423', cmiles='[H:24][c:1]1[c:3]([c:6]([c:4]([c:2]([c:5]1[C:18]2([C:12]([C:13]2([H:36])[H:37])([H:34])[H:35])[C:8](=[O:22])[N:20]3[C:14]([C@:16]4([C:7](=[O:21])[N:19]([C@@:17]([C:15]3([H:40])[H:41])([C:11]([C:9]([C:10]4([H:30])[H:31])([H:28])[H:29])([H:32])[H:33])[H:43])[H:44])[H:42])([H:38])[H:39])[H:25])[H:27])[F:23])[H:26]', inchi_key='JJCIFJWFZSYXOR-SWLSCSKDSA-N'), OptimizationResult(type='optimization', record_id='18439424', cmiles='[H:24][c:1]1[c:3]([c:6]([c:4]([c:2]([c:5]1[C:18]2([C:12]([C:13]2([H:36])[H:37])([H:34])[H:35])[C:8](=[O:22])[N:20]3[C:14]([C@:16]4([C:7](=[O:21])[N:19]([C@@:17]([C:15]3([H:40])[H:41])([C:11]([C:9]([C:10]4([H:30])[H:31])([H:28])[H:29])([H:32])[H:33])[H:43])[H:44])[H:42])([H:38])[H:39])[H:25])[H:27])[F:23])[H:26]', inchi_key='JJCIFJWFZSYXOR-SWLSCSKDSA-N'), OptimizationResult(type='optimization', record_id='18439425', cmiles='[H:14][c:1]1[c:2]([c:6]([c:5]([c:3]([c:4]1[C:7](=[O:11])[H:17])[H:16])[O:12][C:10]([H:24])([C:8]([H:18])([H:19])[H:20])[C:9]([H:21])([H:22])[H:23])[F:13])[H:15]', inchi_key='OYJUUYKZFWNVGB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439426', cmiles='[H:14][c:1]1[c:2]([c:6]([c:5]([c:3]([c:4]1[C:7](=[O:11])[H:17])[H:16])[O:12][C:10]([H:24])([C:8]([H:18])([H:19])[H:20])[C:9]([H:21])([H:22])[H:23])[F:13])[H:15]', inchi_key='OYJUUYKZFWNVGB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439427', cmiles='[H:13][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[F:11])[O:10][C:9]([H:22])([H:23])[C:7]([H:16])([H:17])[H:18])[H:15])[S:12][C:8]([H:19])([H:20])[H:21])[H:14]', inchi_key='ZFWMQSSUMKZDGM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439428', cmiles='[H:13][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[F:11])[O:10][C:9]([H:22])([H:23])[C:7]([H:16])([H:17])[H:18])[H:15])[S:12][C:8]([H:19])([H:20])[H:21])[H:14]', inchi_key='ZFWMQSSUMKZDGM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439429', cmiles='[H:13][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[F:11])[O:10][C:9]([H:22])([H:23])[C:7]([H:16])([H:17])[H:18])[H:15])[S:12][C:8]([H:19])([H:20])[H:21])[H:14]', inchi_key='ZFWMQSSUMKZDGM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439430', cmiles='[H:14][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[C:9]([H:20])([H:21])[Br:13])[H:16])[C:7](=[O:10])[O:11][C:8]([H:17])([H:18])[H:19])[F:12])[H:15]', inchi_key='GHEFZYZTGHKBBI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439431', cmiles='[H:14][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[C:9]([H:20])([H:21])[Br:13])[H:16])[C:7](=[O:10])[O:11][C:8]([H:17])([H:18])[H:19])[F:12])[H:15]', inchi_key='GHEFZYZTGHKBBI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439432', cmiles='[H:14][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[C:9]([H:20])([H:21])[Br:13])[H:16])[C:7](=[O:10])[O:11][C:8]([H:17])([H:18])[H:19])[F:12])[H:15]', inchi_key='GHEFZYZTGHKBBI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439433', cmiles='[H:14][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[C:9]([H:20])([H:21])[Br:13])[H:16])[C:7](=[O:10])[O:11][C:8]([H:17])([H:18])[H:19])[F:12])[H:15]', inchi_key='GHEFZYZTGHKBBI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439434', cmiles='[H:15][C:2]1([C:3]([C:7]([N:13]([C:10]2([C:4]1([H:19])[H:20])[C:5]([C:8]([N:12]([C:9]([C:6]2([H:23])[H:24])([H:29])[H:30])[H:34])([H:27])[H:28])([H:21])[H:22])[C:1](=[O:14])[C:11]([H:31])([H:32])[H:33])([H:25])[H:26])([H:17])[H:18])[H:16]', inchi_key='VBNKSGSZCQBBQM-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439435', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439436', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439437', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439438', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439439', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439440', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439441', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439442', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439443', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439444', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439445', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439446', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439465', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439466', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439478', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439479', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439480', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439481', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439533', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439542', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439543', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439544', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439545', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439546', cmiles='[H:26][c:2]1[c:3]([c:6]([n:22][c:5]([c:4]1[C:18]([H:44])([H:45])[H:46])[C:19]([H:47])([H:48])[H:49])[N@@:23]2[C:15]([C@@:17]3([C:7](=[O:25])[N:24]([C:13]([C:8]([C:11]3([H:33])[H:34])([H:27])[H:28])([H:37])[H:38])[C:20]([H:50])([H:51])[C:16]4([C:9]([C:10]4([H:31])[H:32])([H:29])[H:30])[H:43])[C:12]([C:14]2([H:39])[H:40])([H:35])[H:36])([H:41])[H:42])[C:1]#[N:21]', inchi_key='BYVJUJZHTZGTGN-FQEVSTJZSA-N'), OptimizationResult(type='optimization', record_id='18439547', cmiles='[H:15][c:1]1[c:3]([c:5]([c:2]([c:6]([c:4]1[F:12])[F:14])[H:16])[F:13])[C:7](=[O:11])[C:10]2([C:8]([C:9]2([H:19])[H:20])([H:17])[H:18])[H:21]', inchi_key='IZLAHBYMWKLISC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439548', cmiles='[H:15][c:1]1[c:3]([c:5]([c:2]([c:6]([c:4]1[F:12])[F:14])[H:16])[F:13])[C:7](=[O:11])[C:10]2([C:8]([C:9]2([H:19])[H:20])([H:17])[H:18])[H:21]', inchi_key='IZLAHBYMWKLISC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439549', cmiles='[H:15][c:1]1[c:3]([c:5]([c:2]([c:6]([c:4]1[F:12])[F:14])[H:16])[F:13])[C:7](=[O:11])[C:10]2([C:8]([C:9]2([H:19])[H:20])([H:17])[H:18])[H:21]', inchi_key='IZLAHBYMWKLISC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439550', cmiles='[H:13][c:1]1[c:3]([c:2]([n:10][c:4]([n:9]1)[C:7]2([C:5]([C:6]2([H:17])[H:18])([H:15])[H:16])[C:8]([H:19])([H:20])[O:11][H:21])[H:14])[Br:12]', inchi_key='XIRDEQAQKMVLTQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439551', cmiles='[H:13][c:1]1[c:3]([c:2]([n:10][c:4]([n:9]1)[C:7]2([C:5]([C:6]2([H:17])[H:18])([H:15])[H:16])[C:8]([H:19])([H:20])[O:11][H:21])[H:14])[Br:12]', inchi_key='XIRDEQAQKMVLTQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439552', cmiles='[H:19][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:21])[C:15]2([C:11]([C:12]2([H:31])[H:32])([H:29])[H:30])[C:7](=[O:17])[N:16]3[C:13]([C:9]([C:8]([C:10]([C:14]3([H:35])[H:36])([H:27])[H:28])([H:23])[H:24])([H:25])[H:26])([H:33])[H:34])[Cl:18])[H:22])[H:20]', inchi_key='WXOJNEYHIQLKFF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439553', cmiles='[H:19][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:21])[C:15]2([C:11]([C:12]2([H:31])[H:32])([H:29])[H:30])[C:7](=[O:17])[N:16]3[C:13]([C:9]([C:8]([C:10]([C:14]3([H:35])[H:36])([H:27])[H:28])([H:23])[H:24])([H:25])[H:26])([H:33])[H:34])[Cl:18])[H:22])[H:20]', inchi_key='WXOJNEYHIQLKFF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439554', cmiles='[H:19][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:21])[C:15]2([C:11]([C:12]2([H:31])[H:32])([H:29])[H:30])[C:7](=[O:17])[N:16]3[C:13]([C:9]([C:8]([C:10]([C:14]3([H:35])[H:36])([H:27])[H:28])([H:23])[H:24])([H:25])[H:26])([H:33])[H:34])[Cl:18])[H:22])[H:20]', inchi_key='WXOJNEYHIQLKFF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439555', cmiles='[H:19][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:21])[C:15]2([C:11]([C:12]2([H:31])[H:32])([H:29])[H:30])[C:7](=[O:17])[N:16]3[C:13]([C:9]([C:8]([C:10]([C:14]3([H:35])[H:36])([H:27])[H:28])([H:23])[H:24])([H:25])[H:26])([H:33])[H:34])[Cl:18])[H:22])[H:20]', inchi_key='WXOJNEYHIQLKFF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439556', cmiles='[H:14][c:1]1[c:2]([c:4]([c:5]([c:6]([c:3]1[H:16])[Br:13])[F:12])[C:7](=[O:11])[C:10]2([C:8]([C:9]2([H:19])[H:20])([H:17])[H:18])[H:21])[H:15]', inchi_key='DFGLMUPCLPSQHO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439557', cmiles='[H:14][c:1]1[c:2]([c:4]([c:5]([c:6]([c:3]1[H:16])[Br:13])[F:12])[C:7](=[O:11])[C:10]2([C:8]([C:9]2([H:19])[H:20])([H:17])[H:18])[H:21])[H:15]', inchi_key='DFGLMUPCLPSQHO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439558', cmiles='[H:14][c:1]1[c:2]([c:4]([c:5]([c:6]([c:3]1[H:16])[Br:13])[F:12])[C:7](=[O:11])[C:10]2([C:8]([C:9]2([H:19])[H:20])([H:17])[H:18])[H:21])[H:15]', inchi_key='DFGLMUPCLPSQHO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439559', cmiles='[H:14][c:1]1[c:2]([c:5]([n:10][c:3]([c:4]1[F:13])[H:16])[C:9]2([C:7]([C:8]2([H:19])[H:20])([H:17])[H:18])[C:6](=[O:11])[O:12][H:21])[H:15]', inchi_key='KLVFERIITBXTIL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439560', cmiles='[H:14][c:1]1[c:2]([c:5]([n:10][c:3]([c:4]1[F:13])[H:16])[C:9]2([C:7]([C:8]2([H:19])[H:20])([H:17])[H:18])[C:6](=[O:11])[O:12][H:21])[H:15]', inchi_key='KLVFERIITBXTIL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439580', cmiles='[H:14][c:1]1[c:2]([c:5]([n:10][c:3]([c:4]1[F:13])[H:16])[C:9]2([C:7]([C:8]2([H:19])[H:20])([H:17])[H:18])[C:6](=[O:11])[O:12][H:21])[H:15]', inchi_key='KLVFERIITBXTIL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439594', cmiles='[H:14][c:1]1[c:2]([c:5]([n:10][c:3]([c:4]1[F:13])[H:16])[C:9]2([C:7]([C:8]2([H:19])[H:20])([H:17])[H:18])[C:6](=[O:11])[O:12][H:21])[H:15]', inchi_key='KLVFERIITBXTIL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439595', cmiles='[H:14][c:1]1[c:2]([c:5]([n:10][c:3]([c:4]1[F:13])[H:16])[C:9]2([C:7]([C:8]2([H:19])[H:20])([H:17])[H:18])[C:6](=[O:11])[O:12][H:21])[H:15]', inchi_key='KLVFERIITBXTIL-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439596', cmiles='[H:19][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:21])[F:18])[H:22])[C:15]([H:35])([H:36])[C:7](=[O:17])[N:16]2[C:12]([C:10]([C:14]3([C:8]([C:9]3([H:25])[H:26])([H:23])[H:24])[C:11]([C:13]2([H:33])[H:34])([H:29])[H:30])([H:27])[H:28])([H:31])[H:32])[H:20]', inchi_key='UBMKELWWSOTOKF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439597', cmiles='[H:19][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:21])[F:18])[H:22])[C:15]([H:35])([H:36])[C:7](=[O:17])[N:16]2[C:12]([C:10]([C:14]3([C:8]([C:9]3([H:25])[H:26])([H:23])[H:24])[C:11]([C:13]2([H:33])[H:34])([H:29])[H:30])([H:27])[H:28])([H:31])[H:32])[H:20]', inchi_key='UBMKELWWSOTOKF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439598', cmiles='[H:19][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:21])[F:18])[H:22])[C:15]([H:35])([H:36])[C:7](=[O:17])[N:16]2[C:12]([C:10]([C:14]3([C:8]([C:9]3([H:25])[H:26])([H:23])[H:24])[C:11]([C:13]2([H:33])[H:34])([H:29])[H:30])([H:27])[H:28])([H:31])[H:32])[H:20]', inchi_key='UBMKELWWSOTOKF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439599', cmiles='[H:19][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:21])[F:18])[H:22])[C:15]([H:35])([H:36])[C:7](=[O:17])[N:16]2[C:12]([C:10]([C:14]3([C:8]([C:9]3([H:25])[H:26])([H:23])[H:24])[C:11]([C:13]2([H:33])[H:34])([H:29])[H:30])([H:27])[H:28])([H:31])[H:32])[H:20]', inchi_key='UBMKELWWSOTOKF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439600', cmiles='[H:19][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:21])[F:18])[H:22])[C:15]([H:35])([H:36])[C:7](=[O:17])[N:16]2[C:12]([C:10]([C:14]3([C:8]([C:9]3([H:25])[H:26])([H:23])[H:24])[C:11]([C:13]2([H:33])[H:34])([H:29])[H:30])([H:27])[H:28])([H:31])[H:32])[H:20]', inchi_key='UBMKELWWSOTOKF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439601', cmiles='[H:19][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:21])[F:18])[H:22])[C:15]([H:35])([H:36])[C:7](=[O:17])[N:16]2[C:12]([C:10]([C:14]3([C:8]([C:9]3([H:25])[H:26])([H:23])[H:24])[C:11]([C:13]2([H:33])[H:34])([H:29])[H:30])([H:27])[H:28])([H:31])[H:32])[H:20]', inchi_key='UBMKELWWSOTOKF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439602', cmiles='[H:19][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:21])[F:18])[H:22])[C:15]([H:35])([H:36])[C:7](=[O:17])[N:16]2[C:12]([C:10]([C:14]3([C:8]([C:9]3([H:25])[H:26])([H:23])[H:24])[C:11]([C:13]2([H:33])[H:34])([H:29])[H:30])([H:27])[H:28])([H:31])[H:32])[H:20]', inchi_key='UBMKELWWSOTOKF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439625', cmiles='[H:19][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:21])[F:18])[H:22])[C:15]([H:35])([H:36])[C:7](=[O:17])[N:16]2[C:12]([C:10]([C:14]3([C:8]([C:9]3([H:25])[H:26])([H:23])[H:24])[C:11]([C:13]2([H:33])[H:34])([H:29])[H:30])([H:27])[H:28])([H:31])[H:32])[H:20]', inchi_key='UBMKELWWSOTOKF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439626', cmiles='[H:19][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:21])[F:18])[H:22])[C:15]([H:35])([H:36])[C:7](=[O:17])[N:16]2[C:12]([C:10]([C:14]3([C:8]([C:9]3([H:25])[H:26])([H:23])[H:24])[C:11]([C:13]2([H:33])[H:34])([H:29])[H:30])([H:27])[H:28])([H:31])[H:32])[H:20]', inchi_key='UBMKELWWSOTOKF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439627', cmiles='[H:19][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:21])[F:18])[H:22])[C:15]([H:35])([H:36])[C:7](=[O:17])[N:16]2[C:12]([C:10]([C:14]3([C:8]([C:9]3([H:25])[H:26])([H:23])[H:24])[C:11]([C:13]2([H:33])[H:34])([H:29])[H:30])([H:27])[H:28])([H:31])[H:32])[H:20]', inchi_key='UBMKELWWSOTOKF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439628', cmiles='[H:19][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:21])[F:18])[H:22])[C:15]([H:35])([H:36])[C:7](=[O:17])[N:16]2[C:12]([C:10]([C:14]3([C:8]([C:9]3([H:25])[H:26])([H:23])[H:24])[C:11]([C:13]2([H:33])[H:34])([H:29])[H:30])([H:27])[H:28])([H:31])[H:32])[H:20]', inchi_key='UBMKELWWSOTOKF-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439629', cmiles='[H:22][c:1]1[c:7]([c:13]([c:8]([c:2]([c:10]1[c:14]2[c:9](/[c:15](=[N:18]\\[c:12]3[c:5]([c:3]([c:11]([c:4]([c:6]3[H:27])[H:25])[C:16]([H:31])([H:32])[H:33])[H:24])[H:26])/[s:21][s:20]2)[H:30])[H:23])[H:29])[O:19][C:17]([H:34])([H:35])[H:36])[H:28]', inchi_key='AHYUQBOVCJIBKZ-ISLYRVAYSA-N'), OptimizationResult(type='optimization', record_id='18439630', cmiles='[H:14][c:1]1[c:2]([c:5]([c:6]([c:3]([c:4]1[O:8][C:7]([Cl:10])([Cl:11])[Cl:12])[H:16])[Br:13])[F:9])[H:15]', inchi_key='UOINNYSFFRHPQO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439631', cmiles='[H:14][c:1]1[c:2]([c:5]([c:6]([c:3]([c:4]1[O:8][C:7]([Cl:10])([Cl:11])[Cl:12])[H:16])[Br:13])[F:9])[H:15]', inchi_key='UOINNYSFFRHPQO-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439632', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[O:11][C:7]([F:13])([F:14])[Cl:15])[N+:8](=[O:10])[O-:9])[H:18])[F:12])[H:17]', inchi_key='DAWCIFQBUJFWFX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439633', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[O:11][C:7]([F:13])([F:14])[Cl:15])[N+:8](=[O:10])[O-:9])[H:18])[F:12])[H:17]', inchi_key='DAWCIFQBUJFWFX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439634', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[O:11][C:7]([F:13])([F:14])[Cl:15])[N+:8](=[O:10])[O-:9])[H:18])[F:12])[H:17]', inchi_key='DAWCIFQBUJFWFX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439635', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[O:11][C:7]([F:13])([F:14])[Cl:15])[N+:8](=[O:10])[O-:9])[H:18])[F:12])[H:17]', inchi_key='DAWCIFQBUJFWFX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439636', cmiles='[H:16][c:1]1[c:2]([c:6]([c:3]([c:4]([c:5]1[O:11][C:7]([F:13])([F:14])[Cl:15])[N+:8](=[O:10])[O-:9])[H:18])[F:12])[H:17]', inchi_key='DAWCIFQBUJFWFX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439637', cmiles='[H:12][c:1]1[c:2]([c:5]([c:3]([c:6]([c:4]1[N+:7](=[O:9])[O-:8])[I:11])[H:14])[Br:10])[H:13]', inchi_key='VWDMDPDGACOPSR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439638', cmiles='[H:12][c:1]1[c:2]([c:4]([c:5]([c:6]([c:3]1[H:14])[I:11])[O:9][H:15])[C:7](=[O:8])[O:10][H:16])[H:13]', inchi_key='PJLHEOAOXSHXLR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439639', cmiles='[H:12][c:1]1[c:2]([c:4]([c:5]([c:6]([c:3]1[H:14])[I:11])[O:9][H:15])[C:7](=[O:8])[O:10][H:16])[H:13]', inchi_key='PJLHEOAOXSHXLR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439640', cmiles='[H:12][c:1]1[c:2]([c:4]([c:5]([c:6]([c:3]1[H:14])[I:11])[O:9][H:15])[C:7](=[O:8])[O:10][H:16])[H:13]', inchi_key='PJLHEOAOXSHXLR-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439641', cmiles='[H:12][c:1]1[c:2]([c:3]([n:8][n:9]1[C:7]([H:19])([H:20])[C:4](=[O:10])[C:6]([H:16])([H:17])[H:18])[C:5]([H:13])([H:14])[H:15])[I:11]', inchi_key='FEKGRSWGNDUQAD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439642', cmiles='[H:12][c:1]1[c:2]([c:3]([n:8][n:9]1[C:7]([H:19])([H:20])[C:4](=[O:10])[C:6]([H:16])([H:17])[H:18])[C:5]([H:13])([H:14])[H:15])[I:11]', inchi_key='FEKGRSWGNDUQAD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439643', cmiles='[H:12][c:1]1[c:2]([c:3]([n:8][n:9]1[C:7]([H:19])([H:20])[C:4](=[O:10])[C:6]([H:16])([H:17])[H:18])[C:5]([H:13])([H:14])[H:15])[I:11]', inchi_key='FEKGRSWGNDUQAD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439644', cmiles='[H:12][c:1]1[c:2]([c:3]([n:8][n:9]1[C:7]([H:19])([H:20])[C:4](=[O:10])[C:6]([H:16])([H:17])[H:18])[C:5]([H:13])([H:14])[H:15])[I:11]', inchi_key='FEKGRSWGNDUQAD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439645', cmiles='[H:12][c:1]1[c:2]([c:3]([n:8][n:9]1[C:7]([H:19])([H:20])[C:4](=[O:10])[C:6]([H:16])([H:17])[H:18])[C:5]([H:13])([H:14])[H:15])[I:11]', inchi_key='FEKGRSWGNDUQAD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439646', cmiles='[H:23][c:1]1[c:2]([c:10]2[n:16][c:9]([c:6]([n:20]2[c:4]([c:5]1[I:22])[H:26])/[C:12](=[N:19]/[N:21]([H:37])[c:11]3[n:17][c:7]([c:3]([c:8]([n:18]3)[C:14]([H:31])([H:32])[H:33])[H:25])[C:13]([H:28])([H:29])[H:30])/[H:27])[C:15]([H:34])([H:35])[H:36])[H:24]', inchi_key='RNADXCPQMZPOJH-REZTVBANSA-N'), OptimizationResult(type='optimization', record_id='18439647', cmiles='[H:23][c:1]1[c:2]([c:10]2[n:16][c:9]([c:6]([n:20]2[c:4]([c:5]1[I:22])[H:26])/[C:12](=[N:19]/[N:21]([H:37])[c:11]3[n:17][c:7]([c:3]([c:8]([n:18]3)[C:14]([H:31])([H:32])[H:33])[H:25])[C:13]([H:28])([H:29])[H:30])/[H:27])[C:15]([H:34])([H:35])[H:36])[H:24]', inchi_key='RNADXCPQMZPOJH-REZTVBANSA-N'), OptimizationResult(type='optimization', record_id='18439648', cmiles='[H:23][c:1]1[c:2]([c:10]2[n:16][c:9]([c:6]([n:20]2[c:4]([c:5]1[I:22])[H:26])/[C:12](=[N:19]/[N:21]([H:37])[c:11]3[n:17][c:7]([c:3]([c:8]([n:18]3)[C:14]([H:31])([H:32])[H:33])[H:25])[C:13]([H:28])([H:29])[H:30])/[H:27])[C:15]([H:34])([H:35])[H:36])[H:24]', inchi_key='RNADXCPQMZPOJH-REZTVBANSA-N'), OptimizationResult(type='optimization', record_id='18439649', cmiles='[H:23][c:1]1[c:2]([c:10]2[n:16][c:9]([c:6]([n:20]2[c:4]([c:5]1[I:22])[H:26])/[C:12](=[N:19]/[N:21]([H:37])[c:11]3[n:17][c:7]([c:3]([c:8]([n:18]3)[C:14]([H:31])([H:32])[H:33])[H:25])[C:13]([H:28])([H:29])[H:30])/[H:27])[C:15]([H:34])([H:35])[H:36])[H:24]', inchi_key='RNADXCPQMZPOJH-REZTVBANSA-N'), OptimizationResult(type='optimization', record_id='18439650', cmiles='[H:23][c:1]1[c:2]([c:10]2[n:16][c:9]([c:6]([n:20]2[c:4]([c:5]1[I:22])[H:26])/[C:12](=[N:19]/[N:21]([H:37])[c:11]3[n:17][c:7]([c:3]([c:8]([n:18]3)[C:14]([H:31])([H:32])[H:33])[H:25])[C:13]([H:28])([H:29])[H:30])/[H:27])[C:15]([H:34])([H:35])[H:36])[H:24]', inchi_key='RNADXCPQMZPOJH-REZTVBANSA-N'), OptimizationResult(type='optimization', record_id='18439651', cmiles='[H:14][c:1]1[c:3]([c:2]([c:5]([c:6]([c:4]1[Cl:11])[I:13])[Cl:12])[C:7]([H:15])([H:16])[H:17])[N+:8](=[O:10])[O-:9]', inchi_key='OAUDPZGZOZNUIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439652', cmiles='[H:13][c:1]1[c:2]([c:4]([o:11][c:3]1[C@@:6]([H:17])([C:5]([H:15])([H:16])[O:12][H:20])[N:7]([H:18])[H:19])[N+:8](=[O:10])[O-:9])[H:14]', inchi_key='GYKSWBWYFGCLBF-SCSAIBSYSA-N'), OptimizationResult(type='optimization', record_id='18439653', cmiles='[H:13][c:1]1[c:2]([c:4]([o:11][c:3]1[C@@:6]([H:17])([C:5]([H:15])([H:16])[O:12][H:20])[N:7]([H:18])[H:19])[N+:8](=[O:10])[O-:9])[H:14]', inchi_key='GYKSWBWYFGCLBF-SCSAIBSYSA-N'), OptimizationResult(type='optimization', record_id='18439654', cmiles='[H:13][c:1]1[c:2]([c:4]([o:11][c:3]1[C@@:6]([H:17])([C:5]([H:15])([H:16])[O:12][H:20])[N:7]([H:18])[H:19])[N+:8](=[O:10])[O-:9])[H:14]', inchi_key='GYKSWBWYFGCLBF-SCSAIBSYSA-N'), OptimizationResult(type='optimization', record_id='18439655', cmiles='[H:13][c:1]1[c:2]([c:4]([o:11][c:3]1[C@@:6]([H:17])([C:5]([H:15])([H:16])[O:12][H:20])[N:7]([H:18])[H:19])[N+:8](=[O:10])[O-:9])[H:14]', inchi_key='GYKSWBWYFGCLBF-SCSAIBSYSA-N'), OptimizationResult(type='optimization', record_id='18439656', cmiles='[H:14][c:1]1[c:3]([c:2]([c:4]([c:5]([c:6]1[Br:13])[F:12])[F:11])[N:7]([H:15])[H:16])[N+:8](=[O:10])[O-:9]', inchi_key='UEQDRXXHEPIYMV-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439657', cmiles='[H:13][c:1]1[c:3]([c:5]([c:2]([c:4]([c:6]1[I:12])[F:10])[H:14])[Br:11])[N+:7](=[O:9])[O-:8]', inchi_key='CCIQHIQHQUTIAC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439658', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439659', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439660', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439661', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439662', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439663', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439664', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439665', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439666', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439667', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439668', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439669', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439670', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439671', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439672', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439673', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439674', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439675', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439676', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439677', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439678', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439679', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439680', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439681', cmiles='[H:18][c:1]1[c:2]([n:13][n:14]([n:12]1)[C:11]([H:33])([H:34])[C:3](=[O:16])[N:15]2[C:6]([C@@:7]([C@:8]([C:4]([C:5]2([H:22])[H:23])([H:20])[H:21])([C:10]([H:30])([H:31])[H:32])[O:17][H:35])([H:26])[C:9]([H:27])([H:28])[H:29])([H:24])[H:25])[H:19]', inchi_key='OKOJHSUNKDCUHX-MWLCHTKSSA-N'), OptimizationResult(type='optimization', record_id='18439682', cmiles='[H:15][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[O:10][C:8]([F:11])([F:12])[F:13])[H:17])[C:7]([H:18])([H:19])[O:9][H:20])[Cl:14])[H:16]', inchi_key='RLHLFOJWVMTCMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439683', cmiles='[H:15][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[O:10][C:8]([F:11])([F:12])[F:13])[H:17])[C:7]([H:18])([H:19])[O:9][H:20])[Cl:14])[H:16]', inchi_key='RLHLFOJWVMTCMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439684', cmiles='[H:15][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[O:10][C:8]([F:11])([F:12])[F:13])[H:17])[C:7]([H:18])([H:19])[O:9][H:20])[Cl:14])[H:16]', inchi_key='RLHLFOJWVMTCMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439685', cmiles='[H:15][c:1]1[c:2]([c:6]([c:4]([c:3]([c:5]1[O:10][C:8]([F:11])([F:12])[F:13])[H:17])[C:7]([H:18])([H:19])[O:9][H:20])[Cl:14])[H:16]', inchi_key='RLHLFOJWVMTCMC-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439686', cmiles='[H:11][c:1]1[c:2]([c:3]([n:7][c:4]([n:6]1)[Cl:10])[Cl:9])[C:5]([H:12])([H:13])[O:8][H:14]', inchi_key='YFWAJBZGZRKMJQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439687', cmiles='[H:14][c:1]1[c:3]([c:5]([c:4]([c:2]([c:6]1[S:13][H:23])[H:15])[F:11])[F:12])[O:10][C:9]([H:21])([H:22])[C:8]([H:19])([H:20])[C:7]([H:16])([H:17])[H:18]', inchi_key='UMMAPFJGAZWCCK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439688', cmiles='[H:14][c:1]1[c:3]([c:5]([c:4]([c:2]([c:6]1[S:13][H:23])[H:15])[F:11])[F:12])[O:10][C:9]([H:21])([H:22])[C:8]([H:19])([H:20])[C:7]([H:16])([H:17])[H:18]', inchi_key='UMMAPFJGAZWCCK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439689', cmiles='[H:14][c:1]1[c:3]([c:5]([c:4]([c:2]([c:6]1[S:13][H:23])[H:15])[F:11])[F:12])[O:10][C:9]([H:21])([H:22])[C:8]([H:19])([H:20])[C:7]([H:16])([H:17])[H:18]', inchi_key='UMMAPFJGAZWCCK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439690', cmiles='[H:14][c:1]1[c:3]([c:5]([c:4]([c:2]([c:6]1[S:13][H:23])[H:15])[F:11])[F:12])[O:10][C:9]([H:21])([H:22])[C:8]([H:19])([H:20])[C:7]([H:16])([H:17])[H:18]', inchi_key='UMMAPFJGAZWCCK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439691', cmiles='[H:13][c:1]1[c:2]([c:5]([c:6]([c:3]([c:4]1[C:7]([H:16])([H:17])[H:18])[H:15])[S:12][H:26])[O:11][C:10]([H:24])([H:25])[C:9]([H:22])([H:23])[C:8]([H:19])([H:20])[H:21])[H:14]', inchi_key='VPVIWQWKOBLDIB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439692', cmiles='[H:13][c:1]1[c:2]([c:5]([c:6]([c:3]([c:4]1[C:7]([H:16])([H:17])[H:18])[H:15])[S:12][H:26])[O:11][C:10]([H:24])([H:25])[C:9]([H:22])([H:23])[C:8]([H:19])([H:20])[H:21])[H:14]', inchi_key='VPVIWQWKOBLDIB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439693', cmiles='[H:13][c:1]1[c:2]([c:5]([c:6]([c:3]([c:4]1[C:7]([H:16])([H:17])[H:18])[H:15])[S:12][H:26])[O:11][C:10]([H:24])([H:25])[C:9]([H:22])([H:23])[C:8]([H:19])([H:20])[H:21])[H:14]', inchi_key='VPVIWQWKOBLDIB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439694', cmiles='[H:13][c:1]1[c:2]([c:5]([c:6]([c:3]([c:4]1[C:7]([H:16])([H:17])[H:18])[H:15])[S:12][H:26])[O:11][C:10]([H:24])([H:25])[C:9]([H:22])([H:23])[C:8]([H:19])([H:20])[H:21])[H:14]', inchi_key='VPVIWQWKOBLDIB-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439695', cmiles='[H:24][c:1]1[c:3]([c:7]([c:4]([c:2]([c:6]1[C:13]([H:29])([H:30])[H:31])[H:25])[H:27])[n:20]2[c:9]([c:5]([c:8]([n:16]2)[C:14]([H:32])([H:33])[H:34])/[C:12](=[N:19]/[n:21]3[c:10]([n:17][n:18][c:11]3[S:22][H:38])[C:15]([H:35])([H:36])[H:37])/[H:28])[Cl:23])[H:26]', inchi_key='JEOLTHPUTVBPRV-CAOOACKPSA-N'), OptimizationResult(type='optimization', record_id='18439696', cmiles='[H:24][c:1]1[c:3]([c:7]([c:4]([c:2]([c:6]1[C:13]([H:29])([H:30])[H:31])[H:25])[H:27])[n:20]2[c:9]([c:5]([c:8]([n:16]2)[C:14]([H:32])([H:33])[H:34])/[C:12](=[N:19]/[n:21]3[c:10]([n:17][n:18][c:11]3[S:22][H:38])[C:15]([H:35])([H:36])[H:37])/[H:28])[Cl:23])[H:26]', inchi_key='JEOLTHPUTVBPRV-CAOOACKPSA-N'), OptimizationResult(type='optimization', record_id='18439697', cmiles='[H:24][c:1]1[c:3]([c:7]([c:4]([c:2]([c:6]1[C:13]([H:29])([H:30])[H:31])[H:25])[H:27])[n:20]2[c:9]([c:5]([c:8]([n:16]2)[C:14]([H:32])([H:33])[H:34])/[C:12](=[N:19]/[n:21]3[c:10]([n:17][n:18][c:11]3[S:22][H:38])[C:15]([H:35])([H:36])[H:37])/[H:28])[Cl:23])[H:26]', inchi_key='JEOLTHPUTVBPRV-CAOOACKPSA-N'), OptimizationResult(type='optimization', record_id='18439698', cmiles='[H:24][c:1]1[c:3]([c:7]([c:4]([c:2]([c:6]1[C:13]([H:29])([H:30])[H:31])[H:25])[H:27])[n:20]2[c:9]([c:5]([c:8]([n:16]2)[C:14]([H:32])([H:33])[H:34])/[C:12](=[N:19]/[n:21]3[c:10]([n:17][n:18][c:11]3[S:22][H:38])[C:15]([H:35])([H:36])[H:37])/[H:28])[Cl:23])[H:26]', inchi_key='JEOLTHPUTVBPRV-CAOOACKPSA-N'), OptimizationResult(type='optimization', record_id='18439699', cmiles='[H:24][c:1]1[c:3]([c:7]([c:4]([c:2]([c:6]1[C:13]([H:29])([H:30])[H:31])[H:25])[H:27])[n:20]2[c:9]([c:5]([c:8]([n:16]2)[C:14]([H:32])([H:33])[H:34])/[C:12](=[N:19]/[n:21]3[c:10]([n:17][n:18][c:11]3[S:22][H:38])[C:15]([H:35])([H:36])[H:37])/[H:28])[Cl:23])[H:26]', inchi_key='JEOLTHPUTVBPRV-CAOOACKPSA-N'), OptimizationResult(type='optimization', record_id='18439700', cmiles='[H:24][c:1]1[c:3]([c:7]([c:4]([c:2]([c:6]1[C:13]([H:29])([H:30])[H:31])[H:25])[H:27])[n:20]2[c:9]([c:5]([c:8]([n:16]2)[C:14]([H:32])([H:33])[H:34])/[C:12](=[N:19]/[n:21]3[c:10]([n:17][n:18][c:11]3[S:22][H:38])[C:15]([H:35])([H:36])[H:37])/[H:28])[Cl:23])[H:26]', inchi_key='JEOLTHPUTVBPRV-CAOOACKPSA-N'), OptimizationResult(type='optimization', record_id='18439701', cmiles='[H:24][c:1]1[c:3]([c:7]([c:4]([c:2]([c:6]1[C:13]([H:29])([H:30])[H:31])[H:25])[H:27])[n:20]2[c:9]([c:5]([c:8]([n:16]2)[C:14]([H:32])([H:33])[H:34])/[C:12](=[N:19]/[n:21]3[c:10]([n:17][n:18][c:11]3[S:22][H:38])[C:15]([H:35])([H:36])[H:37])/[H:28])[Cl:23])[H:26]', inchi_key='JEOLTHPUTVBPRV-CAOOACKPSA-N'), OptimizationResult(type='optimization', record_id='18439702', cmiles='[H:24][c:1]1[c:3]([c:7]([c:4]([c:2]([c:6]1[C:13]([H:29])([H:30])[H:31])[H:25])[H:27])[n:20]2[c:9]([c:5]([c:8]([n:16]2)[C:14]([H:32])([H:33])[H:34])/[C:12](=[N:19]/[n:21]3[c:10]([n:17][n:18][c:11]3[S:22][H:38])[C:15]([H:35])([H:36])[H:37])/[H:28])[Cl:23])[H:26]', inchi_key='JEOLTHPUTVBPRV-CAOOACKPSA-N'), OptimizationResult(type='optimization', record_id='18439703', cmiles='[H:18][c:1]1[c:2]([c:5]([c:7]([c:6]([c:3]1[H:20])[Cl:16])[Cl:17])/[C:9](=[N:12]/[N:15]([H:25])[c:8]2[n:11][n:10][c:4]([n:13]2[N:14]([H:23])[H:24])[H:21])/[H:22])[H:19]', inchi_key='UPOQDORCXQJTDF-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18439704', cmiles='[H:18][c:1]1[c:2]([c:5]([c:7]([c:6]([c:3]1[H:20])[Cl:16])[Cl:17])/[C:9](=[N:12]/[N:15]([H:25])[c:8]2[n:11][n:10][c:4]([n:13]2[N:14]([H:23])[H:24])[H:21])/[H:22])[H:19]', inchi_key='UPOQDORCXQJTDF-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18439705', cmiles='[H:18][c:1]1[c:2]([c:5]([c:7]([c:6]([c:3]1[H:20])[Cl:16])[Cl:17])/[C:9](=[N:12]/[N:15]([H:25])[c:8]2[n:11][n:10][c:4]([n:13]2[N:14]([H:23])[H:24])[H:21])/[H:22])[H:19]', inchi_key='UPOQDORCXQJTDF-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18439706', cmiles='[H:18][c:1]1[c:2]([c:5]([c:7]([c:6]([c:3]1[H:20])[Cl:16])[Cl:17])/[C:9](=[N:12]/[N:15]([H:25])[c:8]2[n:11][n:10][c:4]([n:13]2[N:14]([H:23])[H:24])[H:21])/[H:22])[H:19]', inchi_key='UPOQDORCXQJTDF-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18439707', cmiles='[H:18][c:1]1[c:2]([c:5]([c:7]([c:6]([c:3]1[H:20])[Cl:16])[Cl:17])/[C:9](=[N:12]/[N:15]([H:25])[c:8]2[n:11][n:10][c:4]([n:13]2[N:14]([H:23])[H:24])[H:21])/[H:22])[H:19]', inchi_key='UPOQDORCXQJTDF-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18439708', cmiles='[H:18][c:1]1[c:2]([c:5]([c:7]([c:6]([c:3]1[H:20])[Cl:16])[Cl:17])/[C:9](=[N:12]/[N:15]([H:25])[c:8]2[n:11][n:10][c:4]([n:13]2[N:14]([H:23])[H:24])[H:21])/[H:22])[H:19]', inchi_key='UPOQDORCXQJTDF-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18439709', cmiles='[H:18][c:1]1[c:2]([c:5]([c:7]([c:6]([c:3]1[H:20])[Cl:16])[Cl:17])/[C:9](=[N:12]/[N:15]([H:25])[c:8]2[n:11][n:10][c:4]([n:13]2[N:14]([H:23])[H:24])[H:21])/[H:22])[H:19]', inchi_key='UPOQDORCXQJTDF-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18439710', cmiles='[H:18][c:1]1[c:2]([c:5]([c:7]([c:6]([c:3]1[H:20])[Cl:16])[Cl:17])/[C:9](=[N:12]/[N:15]([H:25])[c:8]2[n:11][n:10][c:4]([n:13]2[N:14]([H:23])[H:24])[H:21])/[H:22])[H:19]', inchi_key='UPOQDORCXQJTDF-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18439711', cmiles='[H:18][c:1]1[c:2]([c:5]([c:7]([c:6]([c:3]1[H:20])[Cl:16])[Cl:17])/[C:9](=[N:12]/[N:15]([H:25])[c:8]2[n:11][n:10][c:4]([n:13]2[N:14]([H:23])[H:24])[H:21])/[H:22])[H:19]', inchi_key='UPOQDORCXQJTDF-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18439712', cmiles='[H:18][c:1]1[c:2]([c:5]([c:7]([c:6]([c:3]1[H:20])[Cl:16])[Cl:17])/[C:9](=[N:12]/[N:15]([H:25])[c:8]2[n:11][n:10][c:4]([n:13]2[N:14]([H:23])[H:24])[H:21])/[H:22])[H:19]', inchi_key='UPOQDORCXQJTDF-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18439713', cmiles='[H:18][c:1]1[c:2]([c:5]([c:7]([c:6]([c:3]1[H:20])[Cl:16])[Cl:17])/[C:9](=[N:12]/[N:15]([H:25])[c:8]2[n:11][n:10][c:4]([n:13]2[N:14]([H:23])[H:24])[H:21])/[H:22])[H:19]', inchi_key='UPOQDORCXQJTDF-YIXHJXPBSA-N'), OptimizationResult(type='optimization', record_id='18439714', cmiles='[H:21][c:1]1[c:2]([c:4]([c:7]([c:5]([c:3]1[H:23])[H:25])/[N:14]=[N:15]\\[c:8]2[c:10]3[n:16]([c:9]([c:6]([c:11](=[O:19])[n:18]3[n:17]([c:12]2=[O:20])[H:31])[H:26])[C:13]([H:27])([H:28])[H:29])[H:30])[H:24])[H:22]', inchi_key='DELDPUNTSBPABY-NXVVXOECSA-N'), OptimizationResult(type='optimization', record_id='18439715', cmiles='[H:21][c:1]1[c:2]([c:4]([c:7]([c:5]([c:3]1[H:23])[H:25])/[N:14]=[N:15]\\[c:8]2[c:10]3[n:16]([c:9]([c:6]([c:11](=[O:19])[n:18]3[n:17]([c:12]2=[O:20])[H:31])[H:26])[C:13]([H:27])([H:28])[H:29])[H:30])[H:24])[H:22]', inchi_key='DELDPUNTSBPABY-NXVVXOECSA-N'), OptimizationResult(type='optimization', record_id='18439716', cmiles='[H:14][c:1]1[c:2]([c:4]([n:10][c:5]([c:3]1[H:16])[Cl:13])[C:9]2([C:7]([C:8]2([H:19])[H:20])([H:17])[H:18])[C:6](=[O:11])[O:12][H:21])[H:15]', inchi_key='WUAGPRSQTJSTRA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439717', cmiles='[H:14][c:1]1[c:2]([c:4]([n:10][c:5]([c:3]1[H:16])[Cl:13])[C:9]2([C:7]([C:8]2([H:19])[H:20])([H:17])[H:18])[C:6](=[O:11])[O:12][H:21])[H:15]', inchi_key='WUAGPRSQTJSTRA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439718', cmiles='[H:14][c:1]1[c:2]([c:4]([n:10][c:5]([c:3]1[H:16])[Cl:13])[C:9]2([C:7]([C:8]2([H:19])[H:20])([H:17])[H:18])[C:6](=[O:11])[O:12][H:21])[H:15]', inchi_key='WUAGPRSQTJSTRA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439719', cmiles='[H:14][c:1]1[c:2]([c:4]([n:10][c:5]([c:3]1[H:16])[Cl:13])[C:9]2([C:7]([C:8]2([H:19])[H:20])([H:17])[H:18])[C:6](=[O:11])[O:12][H:21])[H:15]', inchi_key='WUAGPRSQTJSTRA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439720', cmiles='[H:14][c:1]1[c:2]([c:4]([n:10][c:5]([c:3]1[H:16])[Cl:13])[C:9]2([C:7]([C:8]2([H:19])[H:20])([H:17])[H:18])[C:6](=[O:11])[O:12][H:21])[H:15]', inchi_key='WUAGPRSQTJSTRA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439721', cmiles='[H:14][c:1]1[c:2]([c:4]([n:10][c:5]([c:3]1[H:16])[Cl:13])[C:9]2([C:7]([C:8]2([H:19])[H:20])([H:17])[H:18])[C:6](=[O:11])[O:12][H:21])[H:15]', inchi_key='WUAGPRSQTJSTRA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439722', cmiles='[H:14][c:1]1[c:2]([c:4]([n:10][c:5]([c:3]1[H:16])[Cl:13])[C:9]2([C:7]([C:8]2([H:19])[H:20])([H:17])[H:18])[C:6](=[O:11])[O:12][H:21])[H:15]', inchi_key='WUAGPRSQTJSTRA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439723', cmiles='[H:14][c:1]1[c:2]([c:4]([n:10][c:5]([c:3]1[H:16])[Cl:13])[C:9]2([C:7]([C:8]2([H:19])[H:20])([H:17])[H:18])[C:6](=[O:11])[O:12][H:21])[H:15]', inchi_key='WUAGPRSQTJSTRA-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439724', cmiles='[H:14][c:2]1[c:3]([c:7]([c:6]([c:4]([c:5]1[N:8]=[C:1]=[O:11])[H:16])[N+:9](=[O:12])[O-:10])[F:13])[H:15]', inchi_key='KCHOHFPMTUPOJU-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439725', cmiles='[H:21][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:23])[c:7]([c:5]([n:18]2[H:30])[H:25])/[C:12](=[N:17]/[N:19]([H:31])[c:11]3[n:15][c:10]([c:9]([n:14][n:16]3)[C:13]([H:27])([H:28])[H:29])[O:20][H:32])/[H:26])[H:24])[H:22]', inchi_key='CKMGHRJDEKTUAC-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18439726', cmiles='[H:21][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:23])[c:7]([c:5]([n:18]2[H:30])[H:25])/[C:12](=[N:17]/[N:19]([H:31])[c:11]3[n:15][c:10]([c:9]([n:14][n:16]3)[C:13]([H:27])([H:28])[H:29])[O:20][H:32])/[H:26])[H:24])[H:22]', inchi_key='CKMGHRJDEKTUAC-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18439727', cmiles='[H:21][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:23])[c:7]([c:5]([n:18]2[H:30])[H:25])/[C:12](=[N:17]/[N:19]([H:31])[c:11]3[n:15][c:10]([c:9]([n:14][n:16]3)[C:13]([H:27])([H:28])[H:29])[O:20][H:32])/[H:26])[H:24])[H:22]', inchi_key='CKMGHRJDEKTUAC-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18439728', cmiles='[H:21][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:23])[c:7]([c:5]([n:18]2[H:30])[H:25])/[C:12](=[N:17]/[N:19]([H:31])[c:11]3[n:15][c:10]([c:9]([n:14][n:16]3)[C:13]([H:27])([H:28])[H:29])[O:20][H:32])/[H:26])[H:24])[H:22]', inchi_key='CKMGHRJDEKTUAC-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18439729', cmiles='[H:21][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:23])[c:7]([c:5]([n:18]2[H:30])[H:25])/[C:12](=[N:17]/[N:19]([H:31])[c:11]3[n:15][c:10]([c:9]([n:14][n:16]3)[C:13]([H:27])([H:28])[H:29])[O:20][H:32])/[H:26])[H:24])[H:22]', inchi_key='CKMGHRJDEKTUAC-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18439730', cmiles='[H:21][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:23])[c:7]([c:5]([n:18]2[H:30])[H:25])/[C:12](=[N:17]/[N:19]([H:31])[c:11]3[n:15][c:10]([c:9]([n:14][n:16]3)[C:13]([H:27])([H:28])[H:29])[O:20][H:32])/[H:26])[H:24])[H:22]', inchi_key='CKMGHRJDEKTUAC-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18439731', cmiles='[H:21][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:23])[c:7]([c:5]([n:18]2[H:30])[H:25])/[C:12](=[N:17]/[N:19]([H:31])[c:11]3[n:15][c:10]([c:9]([n:14][n:16]3)[C:13]([H:27])([H:28])[H:29])[O:20][H:32])/[H:26])[H:24])[H:22]', inchi_key='CKMGHRJDEKTUAC-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18439732', cmiles='[H:21][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:23])[c:7]([c:5]([n:18]2[H:30])[H:25])/[C:12](=[N:17]/[N:19]([H:31])[c:11]3[n:15][c:10]([c:9]([n:14][n:16]3)[C:13]([H:27])([H:28])[H:29])[O:20][H:32])/[H:26])[H:24])[H:22]', inchi_key='CKMGHRJDEKTUAC-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18439733', cmiles='[H:21][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:23])[c:7]([c:5]([n:18]2[H:30])[H:25])/[C:12](=[N:17]/[N:19]([H:31])[c:11]3[n:15][c:10]([c:9]([n:14][n:16]3)[C:13]([H:27])([H:28])[H:29])[O:20][H:32])/[H:26])[H:24])[H:22]', inchi_key='CKMGHRJDEKTUAC-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18439734', cmiles='[H:21][c:1]1[c:2]([c:4]([c:8]2[c:6]([c:3]1[H:23])[c:7]([c:5]([n:18]2[H:30])[H:25])/[C:12](=[N:17]/[N:19]([H:31])[c:11]3[n:15][c:10]([c:9]([n:14][n:16]3)[C:13]([H:27])([H:28])[H:29])[O:20][H:32])/[H:26])[H:24])[H:22]', inchi_key='CKMGHRJDEKTUAC-VIZOYTHASA-N'), OptimizationResult(type='optimization', record_id='18439735', cmiles='[H:18][c:1]1[c:2]([c:8]([n:12][c:11]([c:7]1[H:24])[O:15][S:17](=[O:13])(=[O:14])[c:10]2[c:5]([c:3]([c:9]([c:4]([c:6]2[H:23])[H:21])[F:16])[H:20])[H:22])[H:25])[H:19]', inchi_key='NSBPBHQYFQBKAQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439736', cmiles='[H:18][c:1]1[c:2]([c:8]([n:12][c:11]([c:7]1[H:24])[O:15][S:17](=[O:13])(=[O:14])[c:10]2[c:5]([c:3]([c:9]([c:4]([c:6]2[H:23])[H:21])[F:16])[H:20])[H:22])[H:25])[H:19]', inchi_key='NSBPBHQYFQBKAQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439737', cmiles='[H:18][c:1]1[c:2]([c:8]([n:12][c:11]([c:7]1[H:24])[O:15][S:17](=[O:13])(=[O:14])[c:10]2[c:5]([c:3]([c:9]([c:4]([c:6]2[H:23])[H:21])[F:16])[H:20])[H:22])[H:25])[H:19]', inchi_key='NSBPBHQYFQBKAQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439738', cmiles='[H:18][c:1]1[c:2]([c:8]([n:12][c:11]([c:7]1[H:24])[O:15][S:17](=[O:13])(=[O:14])[c:10]2[c:5]([c:3]([c:9]([c:4]([c:6]2[H:23])[H:21])[F:16])[H:20])[H:22])[H:25])[H:19]', inchi_key='NSBPBHQYFQBKAQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439783', cmiles='[H:18][c:1]1[c:2]([c:8]([n:12][c:11]([c:7]1[H:24])[O:15][S:17](=[O:13])(=[O:14])[c:10]2[c:5]([c:3]([c:9]([c:4]([c:6]2[H:23])[H:21])[F:16])[H:20])[H:22])[H:25])[H:19]', inchi_key='NSBPBHQYFQBKAQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439784', cmiles='[H:18][c:1]1[c:2]([c:8]([n:12][c:11]([c:7]1[H:24])[O:15][S:17](=[O:13])(=[O:14])[c:10]2[c:5]([c:3]([c:9]([c:4]([c:6]2[H:23])[H:21])[F:16])[H:20])[H:22])[H:25])[H:19]', inchi_key='NSBPBHQYFQBKAQ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439785', cmiles='[H:11][C:4]([H:12])([H:13])[c:2]1[c:1]([c:3]([s:9][n:5]1)[Br:10])[N+:6](=[O:8])[O-:7]', inchi_key='LISJYXUDWOEKBJ-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439786', cmiles='[H:12][C:4](=[C:5]([H:14])[C:7]([H:18])([H:19])[n:9]1[c:3]([c:1]([c:2]([n:8]1)[C:6]([H:15])([H:16])[H:17])[N:10]([H:20])[H:21])[Cl:11])[H:13]', inchi_key='WMYOEDYDCVPGKT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439798', cmiles='[H:12][C:4](=[C:5]([H:14])[C:7]([H:18])([H:19])[n:9]1[c:3]([c:1]([c:2]([n:8]1)[C:6]([H:15])([H:16])[H:17])[N:10]([H:20])[H:21])[Cl:11])[H:13]', inchi_key='WMYOEDYDCVPGKT-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439799', cmiles='[H:9][C:1]1=[N:5][C:3](=[S:8])[C:4]([N:6]=[C:2]1[F:7])([H:10])[H:11]', inchi_key='UTPALHVSXHPGJE-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439800', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439801', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439802', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439803', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439804', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439805', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439806', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439807', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439808', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439809', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439810', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439811', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439812', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439813', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439814', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439815', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439816', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439817', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439818', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439819', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439820', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439821', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439822', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439823', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439824', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439825', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439826', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439827', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439828', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439829', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439830', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439831', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439832', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439833', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439834', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439835', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439836', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439837', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439906', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439907', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439908', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439909', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439910', cmiles='[H:11][C:1](=[C:2]([C:3](=[O:4])[O:6][H:13])[O:9][P:10](=[O:5])([O:7][H:14])[O:8][H:15])[H:12]', inchi_key='DTBNBXWJWCWCIK-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439911', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439912', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439913', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439914', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439915', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439916', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439917', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439918', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439919', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439920', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439921', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439922', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439923', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439924', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439925', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439926', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439927', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439928', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439929', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439930', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439931', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439932', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439933', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439934', cmiles='[H:18][c:1]1[c:2]([c:5]([c:4]([c:6]([c:3]1[H:20])[F:15])[H:21])[C:12]([H:30])([H:31])[C:7](=[O:14])[N:13]2[C:8]([C:10]([S:16][S:17][C:11]([C:9]2([H:24])[H:25])([H:28])[H:29])([H:26])[H:27])([H:22])[H:23])[H:19]', inchi_key='JCRAXNWKYNRKJI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439935', cmiles='[H:12][c:2]1[c:3]([c:5]([c:7]([c:6]([c:4]1[H:14])[H:16])/[N:10]=[C:8](/[H:17])\\[N:11]([H:18])[C:1]#[N:9])[H:15])[H:13]', inchi_key='GDTFNMGXZLJVEN-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439936', cmiles='[H:22][C:1]#[C:2][c:11]1[c:6]([c:5]([c:9]([c:14]([c:10]1[H:30])[N:20]([H:37])[C:15](=[O:21])[N:19]2[C:17]([c:13]3[c:8]([c:4]([c:3]([c:7]([c:12]3[C:16]([C:18]2([H:35])[H:36])([H:31])[H:32])[H:27])[H:23])[H:24])[H:28])([H:33])[H:34])[H:29])[H:25])[H:26]', inchi_key='IOMLSNUWLIBUNW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439937', cmiles='[H:22][C:1]#[C:2][c:11]1[c:6]([c:5]([c:9]([c:14]([c:10]1[H:30])[N:20]([H:37])[C:15](=[O:21])[N:19]2[C:17]([c:13]3[c:8]([c:4]([c:3]([c:7]([c:12]3[C:16]([C:18]2([H:35])[H:36])([H:31])[H:32])[H:27])[H:23])[H:24])[H:28])([H:33])[H:34])[H:29])[H:25])[H:26]', inchi_key='IOMLSNUWLIBUNW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439938', cmiles='[H:22][C:1]#[C:2][c:11]1[c:6]([c:5]([c:9]([c:14]([c:10]1[H:30])[N:20]([H:37])[C:15](=[O:21])[N:19]2[C:17]([c:13]3[c:8]([c:4]([c:3]([c:7]([c:12]3[C:16]([C:18]2([H:35])[H:36])([H:31])[H:32])[H:27])[H:23])[H:24])[H:28])([H:33])[H:34])[H:29])[H:25])[H:26]', inchi_key='IOMLSNUWLIBUNW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439939', cmiles='[H:22][C:1]#[C:2][c:11]1[c:6]([c:5]([c:9]([c:14]([c:10]1[H:30])[N:20]([H:37])[C:15](=[O:21])[N:19]2[C:17]([c:13]3[c:8]([c:4]([c:3]([c:7]([c:12]3[C:16]([C:18]2([H:35])[H:36])([H:31])[H:32])[H:27])[H:23])[H:24])[H:28])([H:33])[H:34])[H:29])[H:25])[H:26]', inchi_key='IOMLSNUWLIBUNW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439940', cmiles='[H:22][C:1]#[C:2][c:11]1[c:6]([c:5]([c:9]([c:14]([c:10]1[H:30])[N:20]([H:37])[C:15](=[O:21])[N:19]2[C:17]([c:13]3[c:8]([c:4]([c:3]([c:7]([c:12]3[C:16]([C:18]2([H:35])[H:36])([H:31])[H:32])[H:27])[H:23])[H:24])[H:28])([H:33])[H:34])[H:29])[H:25])[H:26]', inchi_key='IOMLSNUWLIBUNW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439941', cmiles='[H:22][C:1]#[C:2][c:11]1[c:6]([c:5]([c:9]([c:14]([c:10]1[H:30])[N:20]([H:37])[C:15](=[O:21])[N:19]2[C:17]([c:13]3[c:8]([c:4]([c:3]([c:7]([c:12]3[C:16]([C:18]2([H:35])[H:36])([H:31])[H:32])[H:27])[H:23])[H:24])[H:28])([H:33])[H:34])[H:29])[H:25])[H:26]', inchi_key='IOMLSNUWLIBUNW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439942', cmiles='[H:22][C:1]#[C:2][c:11]1[c:6]([c:5]([c:9]([c:14]([c:10]1[H:30])[N:20]([H:37])[C:15](=[O:21])[N:19]2[C:17]([c:13]3[c:8]([c:4]([c:3]([c:7]([c:12]3[C:16]([C:18]2([H:35])[H:36])([H:31])[H:32])[H:27])[H:23])[H:24])[H:28])([H:33])[H:34])[H:29])[H:25])[H:26]', inchi_key='IOMLSNUWLIBUNW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439943', cmiles='[H:22][C:1]#[C:2][c:11]1[c:6]([c:5]([c:9]([c:14]([c:10]1[H:30])[N:20]([H:37])[C:15](=[O:21])[N:19]2[C:17]([c:13]3[c:8]([c:4]([c:3]([c:7]([c:12]3[C:16]([C:18]2([H:35])[H:36])([H:31])[H:32])[H:27])[H:23])[H:24])[H:28])([H:33])[H:34])[H:29])[H:25])[H:26]', inchi_key='IOMLSNUWLIBUNW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439944', cmiles='[H:22][C:1]#[C:2][c:11]1[c:6]([c:5]([c:9]([c:14]([c:10]1[H:30])[N:20]([H:37])[C:15](=[O:21])[N:19]2[C:17]([c:13]3[c:8]([c:4]([c:3]([c:7]([c:12]3[C:16]([C:18]2([H:35])[H:36])([H:31])[H:32])[H:27])[H:23])[H:24])[H:28])([H:33])[H:34])[H:29])[H:25])[H:26]', inchi_key='IOMLSNUWLIBUNW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439945', cmiles='[H:22][C:1]#[C:2][c:11]1[c:6]([c:5]([c:9]([c:14]([c:10]1[H:30])[N:20]([H:37])[C:15](=[O:21])[N:19]2[C:17]([c:13]3[c:8]([c:4]([c:3]([c:7]([c:12]3[C:16]([C:18]2([H:35])[H:36])([H:31])[H:32])[H:27])[H:23])[H:24])[H:28])([H:33])[H:34])[H:29])[H:25])[H:26]', inchi_key='IOMLSNUWLIBUNW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439946', cmiles='[H:22][C:1]#[C:2][c:11]1[c:6]([c:5]([c:9]([c:14]([c:10]1[H:30])[N:20]([H:37])[C:15](=[O:21])[N:19]2[C:17]([c:13]3[c:8]([c:4]([c:3]([c:7]([c:12]3[C:16]([C:18]2([H:35])[H:36])([H:31])[H:32])[H:27])[H:23])[H:24])[H:28])([H:33])[H:34])[H:29])[H:25])[H:26]', inchi_key='IOMLSNUWLIBUNW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439947', cmiles='[H:22][C:1]#[C:2][c:11]1[c:6]([c:5]([c:9]([c:14]([c:10]1[H:30])[N:20]([H:37])[C:15](=[O:21])[N:19]2[C:17]([c:13]3[c:8]([c:4]([c:3]([c:7]([c:12]3[C:16]([C:18]2([H:35])[H:36])([H:31])[H:32])[H:27])[H:23])[H:24])[H:28])([H:33])[H:34])[H:29])[H:25])[H:26]', inchi_key='IOMLSNUWLIBUNW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439948', cmiles='[H:22][C:1]#[C:2][c:11]1[c:6]([c:5]([c:9]([c:14]([c:10]1[H:30])[N:20]([H:37])[C:15](=[O:21])[N:19]2[C:17]([c:13]3[c:8]([c:4]([c:3]([c:7]([c:12]3[C:16]([C:18]2([H:35])[H:36])([H:31])[H:32])[H:27])[H:23])[H:24])[H:28])([H:33])[H:34])[H:29])[H:25])[H:26]', inchi_key='IOMLSNUWLIBUNW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439949', cmiles='[H:22][C:1]#[C:2][c:11]1[c:6]([c:5]([c:9]([c:14]([c:10]1[H:30])[N:20]([H:37])[C:15](=[O:21])[N:19]2[C:17]([c:13]3[c:8]([c:4]([c:3]([c:7]([c:12]3[C:16]([C:18]2([H:35])[H:36])([H:31])[H:32])[H:27])[H:23])[H:24])[H:28])([H:33])[H:34])[H:29])[H:25])[H:26]', inchi_key='IOMLSNUWLIBUNW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439950', cmiles='[H:22][C:1]#[C:2][c:11]1[c:6]([c:5]([c:9]([c:14]([c:10]1[H:30])[N:20]([H:37])[C:15](=[O:21])[N:19]2[C:17]([c:13]3[c:8]([c:4]([c:3]([c:7]([c:12]3[C:16]([C:18]2([H:35])[H:36])([H:31])[H:32])[H:27])[H:23])[H:24])[H:28])([H:33])[H:34])[H:29])[H:25])[H:26]', inchi_key='IOMLSNUWLIBUNW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439951', cmiles='[H:22][C:1]#[C:2][c:11]1[c:6]([c:5]([c:9]([c:14]([c:10]1[H:30])[N:20]([H:37])[C:15](=[O:21])[N:19]2[C:17]([c:13]3[c:8]([c:4]([c:3]([c:7]([c:12]3[C:16]([C:18]2([H:35])[H:36])([H:31])[H:32])[H:27])[H:23])[H:24])[H:28])([H:33])[H:34])[H:29])[H:25])[H:26]', inchi_key='IOMLSNUWLIBUNW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439952', cmiles='[H:22][C:1]#[C:2][c:11]1[c:6]([c:5]([c:9]([c:14]([c:10]1[H:30])[N:20]([H:37])[C:15](=[O:21])[N:19]2[C:17]([c:13]3[c:8]([c:4]([c:3]([c:7]([c:12]3[C:16]([C:18]2([H:35])[H:36])([H:31])[H:32])[H:27])[H:23])[H:24])[H:28])([H:33])[H:34])[H:29])[H:25])[H:26]', inchi_key='IOMLSNUWLIBUNW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439953', cmiles='[H:22][C:1]#[C:2][c:11]1[c:6]([c:5]([c:9]([c:14]([c:10]1[H:30])[N:20]([H:37])[C:15](=[O:21])[N:19]2[C:17]([c:13]3[c:8]([c:4]([c:3]([c:7]([c:12]3[C:16]([C:18]2([H:35])[H:36])([H:31])[H:32])[H:27])[H:23])[H:24])[H:28])([H:33])[H:34])[H:29])[H:25])[H:26]', inchi_key='IOMLSNUWLIBUNW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439954', cmiles='[H:22][C:1]#[C:2][c:11]1[c:6]([c:5]([c:9]([c:14]([c:10]1[H:30])[N:20]([H:37])[C:15](=[O:21])[N:19]2[C:17]([c:13]3[c:8]([c:4]([c:3]([c:7]([c:12]3[C:16]([C:18]2([H:35])[H:36])([H:31])[H:32])[H:27])[H:23])[H:24])[H:28])([H:33])[H:34])[H:29])[H:25])[H:26]', inchi_key='IOMLSNUWLIBUNW-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439955', cmiles='[H:19][C:1]#[C:2][c:11]1[c:5]([c:3]([c:8]([c:14]([c:9]1[H:26])[N:17]([H:31])[C:15](=[O:18])[c:12]2[c:6]([c:4]([c:7]([c:13]([c:10]2[H:27])[C:16]([H:28])([H:29])[H:30])[H:24])[H:21])[H:23])[H:25])[H:20])[H:22]', inchi_key='AGDCGNUUNHQDOD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439956', cmiles='[H:19][C:1]#[C:2][c:11]1[c:5]([c:3]([c:8]([c:14]([c:9]1[H:26])[N:17]([H:31])[C:15](=[O:18])[c:12]2[c:6]([c:4]([c:7]([c:13]([c:10]2[H:27])[C:16]([H:28])([H:29])[H:30])[H:24])[H:21])[H:23])[H:25])[H:20])[H:22]', inchi_key='AGDCGNUUNHQDOD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439969', cmiles='[H:19][C:1]#[C:2][c:11]1[c:5]([c:3]([c:8]([c:14]([c:9]1[H:26])[N:17]([H:31])[C:15](=[O:18])[c:12]2[c:6]([c:4]([c:7]([c:13]([c:10]2[H:27])[C:16]([H:28])([H:29])[H:30])[H:24])[H:21])[H:23])[H:25])[H:20])[H:22]', inchi_key='AGDCGNUUNHQDOD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439970', cmiles='[H:19][C:1]#[C:2][c:11]1[c:5]([c:3]([c:8]([c:14]([c:9]1[H:26])[N:17]([H:31])[C:15](=[O:18])[c:12]2[c:6]([c:4]([c:7]([c:13]([c:10]2[H:27])[C:16]([H:28])([H:29])[H:30])[H:24])[H:21])[H:23])[H:25])[H:20])[H:22]', inchi_key='AGDCGNUUNHQDOD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439971', cmiles='[H:19][C:1]#[C:2][c:11]1[c:5]([c:3]([c:8]([c:14]([c:9]1[H:26])[N:17]([H:31])[C:15](=[O:18])[c:12]2[c:6]([c:4]([c:7]([c:13]([c:10]2[H:27])[C:16]([H:28])([H:29])[H:30])[H:24])[H:21])[H:23])[H:25])[H:20])[H:22]', inchi_key='AGDCGNUUNHQDOD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439972', cmiles='[H:19][C:1]#[C:2][c:11]1[c:5]([c:3]([c:8]([c:14]([c:9]1[H:26])[N:17]([H:31])[C:15](=[O:18])[c:12]2[c:6]([c:4]([c:7]([c:13]([c:10]2[H:27])[C:16]([H:28])([H:29])[H:30])[H:24])[H:21])[H:23])[H:25])[H:20])[H:22]', inchi_key='AGDCGNUUNHQDOD-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439973', cmiles='[H:16][c:2]1[c:3]([c:7]([c:4]([c:6]([c:5]1[C:1]#[N:10])[O:13][C:9]([H:22])([H:23])[C:8]([H:19])([H:20])[H:21])[H:18])[S:14](=[O:11])(=[O:12])[Cl:15])[H:17]', inchi_key='XIZRNNXWVXSAOI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439974', cmiles='[H:16][c:2]1[c:3]([c:7]([c:4]([c:6]([c:5]1[C:1]#[N:10])[O:13][C:9]([H:22])([H:23])[C:8]([H:19])([H:20])[H:21])[H:18])[S:14](=[O:11])(=[O:12])[Cl:15])[H:17]', inchi_key='XIZRNNXWVXSAOI-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439975', cmiles='[H:13][C:3]1([C:1](=[O:8])[N:5]=[C:2]([N:6]1[C:4]([H:15])([H:16])[H:17])[N:7]([H:18])[P:10](=[O:9])([Cl:11])[Cl:12])[H:14]', inchi_key='LLAFVXRGNOJWJX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439976', cmiles='[H:13][C:3]1([C:1](=[O:8])[N:5]=[C:2]([N:6]1[C:4]([H:15])([H:16])[H:17])[N:7]([H:18])[P:10](=[O:9])([Cl:11])[Cl:12])[H:14]', inchi_key='LLAFVXRGNOJWJX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439977', cmiles='[H:13][C:3]1([C:1](=[O:8])[N:5]=[C:2]([N:6]1[C:4]([H:15])([H:16])[H:17])[N:7]([H:18])[P:10](=[O:9])([Cl:11])[Cl:12])[H:14]', inchi_key='LLAFVXRGNOJWJX-UHFFFAOYSA-N'), OptimizationResult(type='optimization', record_id='18439978', cmiles='[H:13][C:3]1([C:1](=[O:8])[N:5]=[C:2]([N:6]1[C:4]([H:15])([H:16])[H:17])[N:7]([H:18])[P:10](=[O:9])([Cl:11])[Cl:12])[H:14]', inchi_key='LLAFVXRGNOJWJX-UHFFFAOYSA-N')]} provenance={}
entries={'https://api.qcarchive.molssi.org:443/': [TorsionDriveResult(type='torsion', record_id='21272352', cmiles='[H:13][c:1]1[c:2]([c:7]([n:12][c:10]([c:5]1[H:17])[c:9]2[c:4]([c:3]([c:6]([n:11][c:8]2[H:20])[H:18])[H:15])[H:16])[H:19])[H:14]', inchi_key='VEKIYFGCEAJDDT-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272353', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[N:11]2[C:9](=[C:7]([C:8](=[C:10]2[H:20])[H:18])[H:17])[H:19])[H:15])[H:13]', inchi_key='GEZGAZKEOUKLBR-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272354', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[N:11]2[C:8](=[C:7]([C:9](=[N:10]2)[H:19])[H:17])[H:18])[H:15])[H:13]', inchi_key='WITMXBRCQWOZPX-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272355', cmiles='[H:13][c:1]1[c:2]([c:4]([c:8]([c:5]([c:3]1[H:15])[H:17])[c:9]2[n:11][c:6]([n:10][c:7]([n:12]2)[H:19])[H:18])[H:16])[H:14]', inchi_key='RXELBMYKBFKHSM-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272356', cmiles='[H:12][c:1]1[c:2]([n:9][c:4]([n:10][c:3]1[H:14])[C:8]2=[C:7]([O:11][C:6](=[C:5]2[H:15])[H:16])[H:17])[H:13]', inchi_key='HJYDEDBYVGBWIJ-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272357', cmiles='[H:13][c:1]1[c:3]([n:9][c:7]([n:10][c:4]1[H:16])[c:8]2[n:11][c:5]([c:2]([c:6]([n:12]2)[H:18])[H:14])[H:17])[H:15]', inchi_key='HKOAFLAGUQUJQG-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272358', cmiles='[H:12][c:1]1[c:2]([n:9][c:4]([n:10][c:3]1[H:14])[C:8]2=[C:6]([C:5](=[C:7]([S:11]2)[H:17])[H:15])[H:16])[H:13]', inchi_key='ROZONHXKGSVJFN-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272359', cmiles='[H:12][c:1]1[c:2]([n:9][c:4]([n:10][c:3]1[H:14])[C:8]2=[C:6]([C:5](=[C:7]([N:11]2[H:18])[H:17])[H:15])[H:16])[H:13]', inchi_key='BAJCRPRPWGNRKM-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272360', cmiles='[H:12][c:1]1[c:2]([n:9][c:4]([n:10][c:3]1[H:14])[C:8]2=[C:6]([C:5](=[C:7]([O:11]2)[H:17])[H:15])[H:16])[H:13]', inchi_key='LKQWUJWBYVAURT-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272361', cmiles='[H:13][C:1]1=[C:2]([C:8](=[O:12])[N:11]([C:6](=[C:3]1[H:15])[C:7]2=[N:9][C:4](=[C:5]([N:10]2[H:18])[H:17])[H:16])[H:19])[H:14]', inchi_key='ZKHASKWVHRESCJ-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272362', cmiles='[H:14][C:1]1=[C:2]([C:9](=[O:13])[N:11]([C:7](=[C:4]1[H:17])[C:8]2=[C:5]([C:3](=[C:6]([N:12]2[C:10]([H:20])([H:21])[H:22])[H:19])[H:16])[H:18])[H:23])[H:15]', inchi_key='HRRCFWLRKUBONR-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272363', cmiles='[H:12][c:1]1[c:2]([n:9][c:4]([n:10][c:3]1[H:14])[C:8]2=[C:7]([S:11][C:6](=[C:5]2[H:15])[H:16])[H:17])[H:13]', inchi_key='JSZNHWCHEOFXAY-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272364', cmiles='[H:16][c:1]1[c:2]([c:6]([c:10]([c:7]([c:3]1[H:18])[H:22])[C:14]2=[C:13]([N:15]([c:12]3[c:11]2[c:8]([c:4]([c:5]([c:9]3[H:24])[H:20])[H:19])[H:23])[H:26])[H:25])[H:21])[H:17]', inchi_key='XZNGTBLWFCRXKR-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272365', cmiles='[H:16][c:1]1[c:2]([c:6]([c:10]([c:7]([c:3]1[H:18])[H:22])[C:13]2=[N:14][c:11]3[c:8]([c:4]([c:5]([c:9]([c:12]3[N:15]2[H:25])[H:24])[H:20])[H:19])[H:23])[H:21])[H:17]', inchi_key='DWYHDSLIWMUSOO-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272366', cmiles='[H:13][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:15])[H:17])[C:10]2=[C:8]([C:7](=[C:9]([N:12]2[C:11]([H:21])([H:22])[H:23])[H:20])[H:18])[H:19])[H:16])[H:14]', inchi_key='RLAVWVJZAAVVPL-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272367', cmiles='[H:16][c:1]1[c:2]([c:8]2[c:6]([c:3]([c:7]1[C:12]3=[C:10]([C:9](=[C:11]([O:15]3)[H:23])[H:21])[H:22])[H:18])[c:4]([n:13][c:5]([n:14]2)[H:20])[H:19])[H:17]', inchi_key='VQDKQTXZOFYKGJ-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272368', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:9]2=[N:10][C:7](=[C:8]([N:11]2[H:19])[H:18])[H:17])[H:15])[H:13]', inchi_key='ZCUJYXPAKHMBAZ-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272369', cmiles='[H:13][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:15])[H:17])[C:7]2=[N:9][O:12][C:8](=[N+:11]2[H:19])[N-:10][H:18])[H:16])[H:14]', inchi_key='DPBVBPRDZHCGNU-UHFFFAOYSA-O'), TorsionDriveResult(type='torsion', record_id='21272370', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:8]2=[N:10][N:11]([C:7](=[N:9]2)[H:17])[H:18])[H:15])[H:13]', inchi_key='NYMLZIFRPNYAHS-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272371', cmiles='[H:16][c:1]1[c:2]([c:6]([c:10]([c:7]([c:3]1[H:18])[H:22])[C:13]2=[C:12]([n+:14]3[c:9]([c:5]([c:4]([c:8]([c:11]3[N:15]2[H:26])[H:23])[H:19])[H:20])[H:24])[H:25])[H:21])[H:17]', inchi_key='KDHWCFCNNGUJCP-UHFFFAOYSA-O'), TorsionDriveResult(type='torsion', record_id='21272372', cmiles='[H:13][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:15])[H:17])[N:11]2[C:9](=[O:12])[C:7](=[C:8]([N:10]2[H:20])[H:19])[H:18])[H:16])[H:14]', inchi_key='ILPGQKHPPSSCBS-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272373', cmiles='[H:13][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:15])[H:17])[N:11]2[C:7](=[N:9][N:10]([C:8]2=[O:12])[H:19])[H:18])[H:16])[H:14]', inchi_key='UYVVGXZLFHZTKT-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272374', cmiles='[H:16][c:1]1[c:2]([c:6]([c:10]([c:7]([c:3]1[H:18])[H:22])[C:14]2=[C:13]([c:11]3[c:8]([c:4]([c:5]([c:9]([c:12]3[S:15]2)[H:24])[H:20])[H:19])[H:23])[H:25])[H:21])[H:17]', inchi_key='LBMHPHUSGIEGHJ-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272375', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:8]2=[N:10][C:7](=[N:9][N:11]2[H:18])[H:17])[H:15])[H:13]', inchi_key='NYMLZIFRPNYAHS-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272376', cmiles='[H:16][c:1]1[c:2]([c:4]([c:8]([c:5]([c:3]1[H:18])[H:20])[c:9]2[c:6]([c:7]([n:13][c:10]3[n+:14]2[N:15]([C:12](=[C:11]3[H:23])[H:24])[H:25])[H:22])[H:21])[H:19])[H:17]', inchi_key='ADXNTBSHXKKTLU-UHFFFAOYSA-O'), TorsionDriveResult(type='torsion', record_id='21272377', cmiles='[H:12][c:1]1[c:2]([c:5]([c:4]([n:9][c:3]1[H:14])[H:15])[C:8]2=[C:6]([N:11]([C:7](=[N:10]2)[H:17])[H:18])[H:16])[H:13]', inchi_key='YFOKBFRTGLSZLU-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272378', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:9]2=[C:7]([O:11][C:8](=[N:10]2)[H:18])[H:17])[H:15])[H:13]', inchi_key='NTFMLYSGIKHECT-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272379', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:9]2=[C:7]([C:8](=[N:10][N:11]2[H:19])[H:18])[H:17])[H:15])[H:13]', inchi_key='OEDUIFSDODUDRK-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272380', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:7]2=[N:8][N:9]=[N:10][N:11]2[H:17])[H:15])[H:13]', inchi_key='MARUHZGHZWCEQU-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272381', cmiles='[H:16][c:1]1[c:2]([c:4]([c:8]([c:5]([c:3]1[H:18])[H:20])[c:9]2[c:6]([c:10]3[c:11]([n:14][c:7]2[H:22])[N:15]([C:13](=[C:12]3[H:23])[H:24])[H:25])[H:21])[H:19])[H:17]', inchi_key='HJJLFNJCRBRHSS-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272382', cmiles='[H:12][c:1]1[c:2]([c:5]([c:4]([n:9][c:3]1[H:14])[H:15])[C:8]2=[C:6]([N:11]([N:10]=[C:7]2[H:17])[H:18])[H:16])[H:13]', inchi_key='KFDSXKNTZIGCHU-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272383', cmiles='[H:15][c:1]1[n:10][c:3]([c:2]2[c:4]([n:11]1)[N:13]([C:6](=[C:5]2[H:16])[H:17])[H:20])[C:9]3=[C:7]([N:14]([N:12]=[C:8]3[H:19])[H:21])[H:18]', inchi_key='FKZDJXVOWLWXHB-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272384', cmiles='[H:17][c:1]1[c:3]([c:7]([c:13]([c:8]([c:4]1[H:20])[H:24])[c:14]2[c:10]([c:11]([n:16][c:15]3[c:12]2[c:6]([c:2]([c:5]([c:9]3[H:25])[H:21])[H:18])[H:22])[H:27])[H:26])[H:23])[H:19]', inchi_key='LOCUXGFHUYBUHF-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272385', cmiles='[H:12][c:1]1[c:2]([n:8][c:4]([n:9][c:3]1[H:14])[N:11]2[C:6](=[C:5]([C:7](=[N:10]2)[H:17])[H:15])[H:16])[H:13]', inchi_key='GDMBLTYGBYSZOC-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272386', cmiles='[H:18][c:1]1[c:2]([c:6]([c:10]([c:7]([c:3]1[H:20])[H:24])[C:14]2=[C:13]([O:17][c:12]3[c:9]([c:5]([c:4]([c:8]([c:11]3[C:15]2=[O:16])[H:25])[H:21])[H:22])[H:26])[H:27])[H:23])[H:19]', inchi_key='GOMNOOKGLZYEJT-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272387', cmiles='[H:13][c:1]1[c:3]([c:7]([c:11]([c:8]([c:4]1[H:16])[H:20])[c:12]2[c:9]([c:5]([c:2]([c:6]([c:10]2[H:22])[H:18])[H:14])[H:17])[H:21])[H:19])[H:15]', inchi_key='ZUOUZKKEUPVFJK-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272388', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:9]2=[C:7]([N:11]([N:10]=[C:8]2[H:18])[H:19])[H:17])[H:15])[H:13]', inchi_key='GPGKNEKFDGOXPO-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272389', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:9]2=[N:10][O:11][C:8](=[C:7]2[H:17])[H:18])[H:15])[H:13]', inchi_key='ZBRDJMFLJXFIGJ-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272390', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:9]2=[C:7]([O:11][N:10]=[C:8]2[H:18])[H:17])[H:15])[H:13]', inchi_key='KEVAZWIBJQZOHC-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272391', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[N:11]2[C:8](=[C:7]([N:10]=[C:9]2[H:19])[H:17])[H:18])[H:15])[H:13]', inchi_key='SEULWJSKCVACTH-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272392', cmiles='[H:18][c:1]1[c:2]([c:6]([c:10]([c:7]([c:3]1[H:20])[H:24])[N:16]2[c:11]3[c:9]([c:5]([c:4]([c:8]([n:15]3)[H:25])[H:21])[H:22])[C:14](=[O:17])[C:12](=[C:13]2[H:27])[H:26])[H:23])[H:19]', inchi_key='MABDLFIONGYNAA-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272393', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:19])[H:21])[C:8]2=[N:13][C:9]3=[C:10]([C:11](=[O:16])[N:14]2[H:23])[N:15]([N:12]=[C:7]3[H:22])[H:24])[H:20])[H:18]', inchi_key='JOMNBJVRXSVEDC-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272394', cmiles='[H:19][c:1]1[c:2]([c:6]([c:11]2[c:10]([c:4]1[H:22])[N:16]=[C:14]([N:18]2[H:28])[c:8]3[c:3]([c:5]([c:9]4[c:12]([c:7]3[H:25])[N:17]([C:13](=[N:15]4)[H:26])[H:27])[H:23])[H:21])[H:24])[H:20]', inchi_key='ILZVMRNIDNNCGW-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272395', cmiles='[H:13][c:1]1[c:2]([c:4]([c:9]([c:5]([c:3]1[H:15])[H:17])[c:10]2[n:11][c:7]([c:6]([c:8]([n:12]2)[H:20])[H:18])[H:19])[H:16])[H:14]', inchi_key='OXPDQFOKSZYEMJ-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272396', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:9]2=[C:7]([C:8](=[N:10][O:11]2)[H:18])[H:17])[H:15])[H:13]', inchi_key='BXQDLEHCXQQSCH-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272397', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:10]2=[C:9]([N:11]([C:8](=[C:7]2[H:17])[H:18])[H:20])[H:19])[H:15])[H:13]', inchi_key='LJDRAKFYYGCAQC-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272398', cmiles='[H:14][c:1]1[c:2]([c:4]([n:11][c:5]([c:3]1[H:16])[C:9]2=[C:8]([N:12]([C:10](=[O:13])[C:7](=[C:6]2[H:18])[H:19])[H:21])[H:20])[H:17])[H:15]', inchi_key='NHWKTZWOSIVHOL-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272399', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:9]2=[C:7]([N:10]=[C:8]([O:11]2)[H:18])[H:17])[H:15])[H:13]', inchi_key='YPYPBEGIASEWKA-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272400', cmiles='[H:17][c:1]1[c:2]([c:4]([c:9]([c:5]([c:3]1[H:19])[H:21])[c:11]2[c:7]([n:14][c:12]3[c:10]([n:16]2)[c:6]([n:13][c:8]([n:15]3)[H:24])[H:22])[H:23])[H:20])[H:18]', inchi_key='LLSMNKXJGLPMIW-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272401', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:10]2=[C:9]([O:11][C:8](=[C:7]2[H:17])[H:18])[H:19])[H:15])[H:13]', inchi_key='BNANPEQZOWHZKY-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272402', cmiles='[H:17][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:19])[H:21])[C:9]2=[N+:15]([C:11](=[O:16])[C:10]3=[C:7]([N:12]=[C:8]([N:14]3[N:13]2[H:24])[H:23])[H:22])[H:25])[H:20])[H:18]', inchi_key='DWRNPVJSDLLVPN-UHFFFAOYSA-O'), TorsionDriveResult(type='torsion', record_id='21272403', cmiles='[H:18][c:1]1[c:3]([c:7]([c:11]([c:8]([c:4]1[H:21])[H:25])[N:16]2[c:12]3[c:9]([c:5]([c:2]([c:6]([c:10]3[C:15](=[O:17])[C:13](=[C:14]2[H:28])[H:27])[H:23])[H:19])[H:22])[H:26])[H:24])[H:20]', inchi_key='NAHYSCOZQVJEHU-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272404', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:8]2=[N:10][O:11][C:7](=[N:9]2)[H:17])[H:15])[H:13]', inchi_key='JJBDWBUEPCGFMN-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272405', cmiles='[H:13][c:1]1[c:2]([c:8]([c:6]([n:10][c:4]1[H:16])[H:18])[c:9]2[c:3]([c:5]([n:11][c:7]([n:12]2)[H:19])[H:17])[H:15])[H:14]', inchi_key='PSXJPOTVCKWHGZ-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272406', cmiles='[H:16][c:1]1[c:3]([c:7]([c:11]([c:8]([c:4]1[H:19])[H:23])[N:15]2[c:12]3[c:9]([c:5]([c:2]([c:6]([c:10]3[C:13](=[C:14]2[H:26])[H:25])[H:21])[H:17])[H:20])[H:24])[H:22])[H:18]', inchi_key='YBFCBQMICVOSRW-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272407', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:10]2=[C:8]([C:7](=[C:9]([N:11]2[H:20])[H:19])[H:17])[H:18])[H:15])[H:13]', inchi_key='IRTLROCMFSDSNF-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272408', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:10]2=[C:8]([C:7](=[C:9]([S:11]2)[H:19])[H:17])[H:18])[H:15])[H:13]', inchi_key='PJRGDKFLFAYRBV-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272409', cmiles='[H:16][c:1]1[c:2]([c:6]([c:10]([c:7]([c:3]1[H:18])[H:22])[C:13]2=[N:14][c:11]3[c:8]([c:4]([c:5]([c:9]([c:12]3[O:15]2)[H:24])[H:20])[H:19])[H:23])[H:21])[H:17]', inchi_key='FIISKTXZUZBTRC-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272410', cmiles='[H:14][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:16])[H:18])[N:12]2[C:10](=[C:9]([C:7](=[C:8]([C:11]2=[O:13])[H:20])[H:19])[H:21])[H:22])[H:17])[H:15]', inchi_key='HQWNTNFZAGSJAX-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272411', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:9]2=[N:10][C:7](=[C:8]([S:11]2)[H:18])[H:17])[H:15])[H:13]', inchi_key='WYKHSBAVLOPISI-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272412', cmiles='[H:18][c:1]1[c:2]([c:6]([c:10]([c:7]([c:3]1[H:20])[H:24])[C:13]2=[N:15][C:14](=[O:17])[N:16]([c:12]3[c:11]2[c:8]([c:4]([c:5]([c:9]3[H:26])[H:22])[H:21])[H:25])[H:27])[H:23])[H:19]', inchi_key='FHUBTSLLILWICW-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272413', cmiles='[H:18][c:1]1[c:4]([c:8]([c:12]([c:9]([c:5]1[H:22])[H:26])[N:16]2[C:13](=[N:15][c:11]3[c:7]([c:3]([c:2]([c:6]([c:10]3[C:14]2=[O:17])[H:23])[H:19])[H:20])[H:24])[H:27])[H:25])[H:21]', inchi_key='WAIHFZPSLVDBRV-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272414', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:9]2=[N:10][N:11]([C:8](=[C:7]2[H:17])[H:18])[H:19])[H:15])[H:13]', inchi_key='OEDUIFSDODUDRK-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272415', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[N:11]2[C:8](=[N:10][C:7](=[N:9]2)[H:17])[H:18])[H:15])[H:13]', inchi_key='CGRLXLHYYDSTKR-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272416', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:10]2=[C:9]([S:11][C:8](=[C:7]2[H:17])[H:18])[H:19])[H:15])[H:13]', inchi_key='ZDQZVKVIYAPRON-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272417', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:10]2=[C:8]([C:7](=[C:9]([O:11]2)[H:19])[H:17])[H:18])[H:15])[H:13]', inchi_key='GCXNJAXHHFZVIM-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272418', cmiles='[H:12][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:14])[H:16])[C:9]2=[C:7]([S:11][C:8](=[N:10]2)[H:18])[H:17])[H:15])[H:13]', inchi_key='KXCQDIWJQBSUJF-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272419', cmiles='[H:14][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:16])[H:18])[C:10]2=[C:8]([C:7](=[C:9]([N:12]([C:11]2=[O:13])[H:22])[H:21])[H:19])[H:20])[H:17])[H:15]', inchi_key='FLYJEBSUJDZJDE-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272420', cmiles='[H:17][c:1]1[c:2]([c:4]([n+:13]2[c:5]([c:3]1[H:19])[N:14]([C:6](=[C:7]([C:9]2=[O:16])[C:8]3=[N:10][N:11]=[N:12][N:15]3[H:23])[H:21])[H:22])[H:20])[H:18]', inchi_key='FDESMPVXUFITNN-UHFFFAOYSA-O'), TorsionDriveResult(type='torsion', record_id='21272421', cmiles='[H:12][c:1]1[c:2]([n:8][c:4]([n:9][c:3]1[H:14])[C:7]2=[N:10][C:5](=[C:6]([N:11]2[H:17])[H:16])[H:15])[H:13]', inchi_key='FKTSKGMJQQGFHN-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272422', cmiles='[H:13][C:1]1=[C:2]([C:9](=[O:11])[N:10]([C:7](=[C:4]1[H:16])[C:8]2=[C:5]([C:3](=[C:6]([O:12]2)[H:18])[H:15])[H:17])[H:19])[H:14]', inchi_key='GODUVOSSXJHPKL-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272423', cmiles='[H:13][c:1]1[c:2]([c:6]([c:10]([c:7]([c:3]1[H:15])[H:19])[c:11]2[c:8]([c:4]([c:5]([c:9]([n:12]2)[H:21])[H:17])[H:16])[H:20])[H:18])[H:14]', inchi_key='VQGHOUODWALEFC-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272424', cmiles='[H:13][C:1]1=[C:2]([C:9](=[O:12])[N:10]([C:8](=[C:5]1[H:17])[N:11]2[C:6](=[C:3]([C:4](=[C:7]2[H:19])[H:16])[H:15])[H:18])[H:20])[H:14]', inchi_key='BRVTWSQOXUDDPJ-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272425', cmiles='[H:13][C:1]1=[C:2]([C:9](=[O:11])[N:10]([C:8](=[C:3]1[H:15])[C:7]2=[C:6]([S:12][C:5](=[C:4]2[H:16])[H:17])[H:18])[H:19])[H:14]', inchi_key='VVVKIXJOGFLACL-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272426', cmiles='[H:13][c:1]1[c:2]([n:10][c:4]([n:11][c:3]1[H:15])[C:8]2=[C:6]([C:5](=[C:7]([N:12]2[C:9]([H:19])([H:20])[H:21])[H:18])[H:16])[H:17])[H:14]', inchi_key='MQXSBTXLIXNLBY-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272427', cmiles='[H:13][c:1]1[c:2]([c:4]([c:8]([c:5]([c:3]1[H:15])[H:17])[c:9]2[c:6]([n:10][c:7]([n:11][n:12]2)[H:19])[H:18])[H:16])[H:14]', inchi_key='CBEUTJXRHBGFOD-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272428', cmiles='[H:13][C:1]1=[C:2]([C:9](=[O:11])[N:10]([C:7](=[C:4]1[H:16])[C:8]2=[C:5]([C:3](=[C:6]([S:12]2)[H:18])[H:15])[H:17])[H:19])[H:14]', inchi_key='OYXVCXRBUVWISS-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272429', cmiles='[H:13][C:1]1=[C:2]([C:9](=[O:12])[N:11]([C:8](=[C:4]1[H:16])[C:7]2=[C:5]([C:3](=[C:6]([N:10]2[H:19])[H:18])[H:15])[H:17])[H:20])[H:14]', inchi_key='OEXWTBSLUTZTHL-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272430', cmiles='[H:13][c:1]1[c:2]([c:4]([c:10]([c:5]([c:3]1[H:15])[H:17])[c:11]2[c:6]([c:8]([n:12][c:9]([c:7]2[H:19])[H:21])[H:20])[H:18])[H:16])[H:14]', inchi_key='JVZRCNQLWOELDU-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272431', cmiles='[H:13][c:1]1[c:2]([c:4]([c:9]([c:5]([c:3]1[H:15])[H:17])[c:10]2[c:6]([n:11][c:8]([n:12][c:7]2[H:19])[H:20])[H:18])[H:16])[H:14]', inchi_key='LVXOXXGCJHYEOS-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272432', cmiles='[H:13][C:1]1=[C:2]([C:9](=[O:11])[N:10]([C:8](=[C:3]1[H:15])[C:7]2=[C:6]([O:12][C:5](=[C:4]2[H:16])[H:17])[H:18])[H:19])[H:14]', inchi_key='KCBAOFOKUAYWRY-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272433', cmiles='[H:14][c:1]1[c:2]([n:10][c:4]([n:11][c:3]1[H:16])[C:8]2=[C:7]([C:5](=[C:6]([C:9](=[O:13])[N:12]2[H:20])[H:18])[H:17])[H:19])[H:15]', inchi_key='QDFMTARAPLKMMI-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272434', cmiles='[H:13][c:1]1[c:2]([c:4]([c:9]([c:5]([c:3]1[H:15])[H:17])[c:10]2[c:6]([c:7]([n:11][c:8]([n:12]2)[H:20])[H:19])[H:18])[H:16])[H:14]', inchi_key='MKLQPIYLZMLAER-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272435', cmiles='[H:12][c:1]1[c:2]([n:9][c:4]([n:10][c:3]1[H:14])[N:11]2[C:7](=[C:5]([C:6](=[C:8]2[H:18])[H:16])[H:15])[H:17])[H:13]', inchi_key='MPAYSRXXGJTDIM-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272436', cmiles='[H:13][c:1]1[c:2]([c:5]([c:10]([c:6]([c:3]1[H:15])[H:18])[c:11]2[c:7]([c:4]([c:8]([n:12][c:9]2[H:21])[H:20])[H:16])[H:19])[H:17])[H:14]', inchi_key='HJKGBRPNSJADMB-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272437', cmiles='[H:13][c:1]1[c:2]([c:5]([c:9]([c:6]([c:3]1[H:15])[H:18])[c:10]2[c:7]([c:4]([c:8]([n:11][n:12]2)[H:20])[H:16])[H:19])[H:17])[H:14]', inchi_key='XWSSUYOEOWLFEI-UHFFFAOYSA-N'), TorsionDriveResult(type='torsion', record_id='21272438', cmiles='[H:14][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:16])[H:18])[C:10]2=[C:9]([C:7](=[C:8]([C:11](=[O:13])[N:12]2[H:22])[H:20])[H:19])[H:21])[H:17])[H:15]', inchi_key='ZLUIDXRFWSPPCC-UHFFFAOYSA-N')]} provenance={}

Note: currently only complete results are pulled down by the ``from_server`` method

As can be seen there are two main inputs to the from_server method in addition to the fractal client:

  • the name(s) of the existing datasets to retrieve the results of. This can either be the name of a single dataset or a list of dataset names

  • the name of the specification used to compute the records. Each specification corresponds to a particular basis, method, program and additional settings.

Let’s print out some basic information about each of these result collections:

[4]:
print("===HESSIAN RESULTS===")

print(f"N RESULTS:   {energy_result_collection.n_results}")
print(f"N MOLECULES: {energy_result_collection.n_molecules}")

print("===OPTIMIZATION RESULTS===")

print(f"N RESULTS:   {optimization_result_collection.n_results}")
print(f"N MOLECULES: {optimization_result_collection.n_molecules}")

print("===TORSION DRIVE RESULTS===")

print(f"N RESULTS:   {torsion_drive_result_collection.n_results}")
print(f"N MOLECULES: {torsion_drive_result_collection.n_molecules}")
===HESSIAN RESULTS===
N RESULTS:   429
N MOLECULES: 94
===OPTIMIZATION RESULTS===
N RESULTS:   2398
N MOLECULES: 419
===TORSION DRIVE RESULTS===
N RESULTS:   87
N MOLECULES: 85

We can easily save / load the collections to / from disk:

[5]:
# save the energy result collection to a JSON file
with open("energy-result-collection.json", "w") as file:
    file.write(energy_result_collection.json())

# re-load the serialized result collection
BasicResultCollection.parse_file("energy-result-collection.json")
[5]:
BasicResultCollection(entries={'https://api.qcarchive.molssi.org:443/': [BasicResult(type='basic', record_id='32651903', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652118', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651833', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652048', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651858', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652073', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651766', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651981', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651736', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651951', cmiles='[H:7][C:1]([H:8])([C:3]([H:11])([C:2]([H:9])([H:10])[O:5][H:13])[O:6][H:14])[O:4][H:12]', inchi_key='PEDCQBHIVMGVHV-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651834', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652049', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651860', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652075', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651743', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651958', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651767', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651982', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651889', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652104', cmiles='[H:7][C:1]([H:8])([C:2]([H:9])([H:10])[C:4]([H:13])([H:14])[O:6][H:16])[C:3]([H:11])([H:12])[O:5][H:15]', inchi_key='WERYXYBDKMZEQL-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651696', cmiles='[H:6][C:1]([H:7])([C:2]([H:8])([H:9])[O:4][H:12])[C:3]([H:10])([H:11])[O:5][H:13]', inchi_key='YPFDHNVEDLHUCE-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651911', cmiles='[H:6][C:1]([H:7])([C:2]([H:8])([H:9])[O:4][H:12])[C:3]([H:10])([H:11])[O:5][H:13]', inchi_key='YPFDHNVEDLHUCE-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651748', cmiles='[H:6][C:1]([H:7])([C:2]([H:8])([H:9])[O:4][H:12])[C:3]([H:10])([H:11])[O:5][H:13]', inchi_key='YPFDHNVEDLHUCE-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651963', cmiles='[H:6][C:1]([H:7])([C:2]([H:8])([H:9])[O:4][H:12])[C:3]([H:10])([H:11])[O:5][H:13]', inchi_key='YPFDHNVEDLHUCE-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651838', cmiles='[H:6][C:1]([H:7])([C:2]([H:8])([H:9])[O:4][H:12])[C:3]([H:10])([H:11])[O:5][H:13]', inchi_key='YPFDHNVEDLHUCE-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652053', cmiles='[H:6][C:1]([H:7])([C:2]([H:8])([H:9])[O:4][H:12])[C:3]([H:10])([H:11])[O:5][H:13]', inchi_key='YPFDHNVEDLHUCE-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651816', cmiles='[H:6][C:1]([H:7])([C:2]([H:8])([H:9])[O:4][H:12])[C:3]([H:10])([H:11])[O:5][H:13]', inchi_key='YPFDHNVEDLHUCE-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652031', cmiles='[H:6][C:1]([H:7])([C:2]([H:8])([H:9])[O:4][H:12])[C:3]([H:10])([H:11])[O:5][H:13]', inchi_key='YPFDHNVEDLHUCE-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651867', cmiles='[H:5][C:1]([H:6])([C:2]([H:7])([H:8])[O:4][H:10])[O:3][H:9]', inchi_key='LYCAIKOWRPUZTN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652082', cmiles='[H:5][C:1]([H:6])([C:2]([H:7])([H:8])[O:4][H:10])[O:3][H:9]', inchi_key='LYCAIKOWRPUZTN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651871', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652086', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651843', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652058', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651820', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652035', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651798', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652013', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651711', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651926', cmiles='[H:8][C:1]([H:9])([C:3]([H:12])([H:13])[O:7][C:4]([H:14])([H:15])[C:2]([H:10])([H:11])[O:6][H:17])[O:5][H:16]', inchi_key='MTHSVFCYNBDYFN-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651771', cmiles='[H:5]/[C:1](=[C:2](/[H:6])\\[C:4]([H:10])([H:11])[H:12])/[C:3]([H:7])([H:8])[H:9]', inchi_key='IAQRGUVFOMOMEM-ONEGZZNKSA-N'), BasicResult(type='basic', record_id='32651986', cmiles='[H:5]/[C:1](=[C:2](/[H:6])\\[C:4]([H:10])([H:11])[H:12])/[C:3]([H:7])([H:8])[H:9]', inchi_key='IAQRGUVFOMOMEM-ONEGZZNKSA-N'), BasicResult(type='basic', record_id='32651900', cmiles='[H:7][C:2]1([C:1](=[O:6])[C:3]([C:5]([C:4]1([H:11])[H:12])([H:13])[H:14])([H:9])[H:10])[H:8]', inchi_key='BGTOWKSIORTVQH-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652115', cmiles='[H:7][C:2]1([C:1](=[O:6])[C:3]([C:5]([C:4]1([H:11])[H:12])([H:13])[H:14])([H:9])[H:10])[H:8]', inchi_key='BGTOWKSIORTVQH-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651735', cmiles='[H:8][C:2]1([C:1](=[O:7])[C:3]([C:5]([C:6]([C:4]1([H:12])[H:13])([H:16])[H:17])([H:14])[H:15])([H:10])[H:11])[H:9]', inchi_key='JHIVVAPYMSGYDF-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651950', cmiles='[H:8][C:2]1([C:1](=[O:7])[C:3]([C:5]([C:6]([C:4]1([H:12])[H:13])([H:16])[H:17])([H:14])[H:15])([H:10])[H:11])[H:9]', inchi_key='JHIVVAPYMSGYDF-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651869', cmiles='[H:9][C:2]1([C:1](=[O:8])[C:3]([C:5]([C:7]([C:6]([C:4]1([H:13])[H:14])([H:17])[H:18])([H:19])[H:20])([H:15])[H:16])([H:11])[H:12])[H:10]', inchi_key='CGZZMOTZOONQIA-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652084', cmiles='[H:9][C:2]1([C:1](=[O:8])[C:3]([C:5]([C:7]([C:6]([C:4]1([H:13])[H:14])([H:17])[H:18])([H:19])[H:20])([H:15])[H:16])([H:11])[H:12])[H:10]', inchi_key='CGZZMOTZOONQIA-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651764', cmiles='[H:6][C:1]1([C:2]([C:4]([C:5]([C:3]1([H:10])[H:11])([H:14])[H:15])([H:12])[H:13])([H:8])[H:9])[H:7]', inchi_key='RGSFGYAAUTVSQA-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651979', cmiles='[H:6][C:1]1([C:2]([C:4]([C:5]([C:3]1([H:10])[H:11])([H:14])[H:15])([H:12])[H:13])([H:8])[H:9])[H:7]', inchi_key='RGSFGYAAUTVSQA-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651734', cmiles='[H:7][C:1]1([C:2]([C:4]([C:6]([C:5]([C:3]1([H:11])[H:12])([H:15])[H:16])([H:17])[H:18])([H:13])[H:14])([H:9])[H:10])[H:8]', inchi_key='XDTMQSROBMDMFD-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651949', cmiles='[H:7][C:1]1([C:2]([C:4]([C:6]([C:5]([C:3]1([H:11])[H:12])([H:15])[H:16])([H:17])[H:18])([H:13])[H:14])([H:9])[H:10])[H:8]', inchi_key='XDTMQSROBMDMFD-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651694', cmiles='[H:6][C:1]1([C:2]([C:4]([O:5][C:3]1([H:10])[H:11])([H:12])[H:13])([H:8])[H:9])[H:7]', inchi_key='WYURNTSHIVDZCO-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651909', cmiles='[H:6][C:1]1([C:2]([C:4]([O:5][C:3]1([H:10])[H:11])([H:12])[H:13])([H:8])[H:9])[H:7]', inchi_key='WYURNTSHIVDZCO-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651741', cmiles='[H:7][C:1]1([C:2]([C:4]([O:6][C:5]([C:3]1([H:11])[H:12])([H:15])[H:16])([H:13])[H:14])([H:9])[H:10])[H:8]', inchi_key='DHXVGJBLRPWPCS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651956', cmiles='[H:7][C:1]1([C:2]([C:4]([O:6][C:5]([C:3]1([H:11])[H:12])([H:15])[H:16])([H:13])[H:14])([H:9])[H:10])[H:8]', inchi_key='DHXVGJBLRPWPCS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651861', cmiles='[H:7][C:1]1([C:2]([O:6][C:4]([C:3]([O:5]1)([H:11])[H:12])([H:13])[H:14])([H:9])[H:10])[H:8]', inchi_key='RYHBNJHYFVUHQT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652076', cmiles='[H:7][C:1]1([C:2]([O:6][C:4]([C:3]([O:5]1)([H:11])[H:12])([H:13])[H:14])([H:9])[H:10])[H:8]', inchi_key='RYHBNJHYFVUHQT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651790', cmiles='[H:7][C:3]([H:8])([H:9])[C:1](=[O:5])[C:2](=[O:6])[C:4]([H:10])([H:11])[H:12]', inchi_key='QSJXEFYPDANLFS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652005', cmiles='[H:7][C:3]([H:8])([H:9])[C:1](=[O:5])[C:2](=[O:6])[C:4]([H:10])([H:11])[H:12]', inchi_key='QSJXEFYPDANLFS-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651854', cmiles='[H:5][C:2]([H:6])([H:7])[C:1](=[O:4])[C:3]([H:8])([H:9])[H:10]', inchi_key='CSCPPACGZOOCGX-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652069', cmiles='[H:5][C:2]([H:6])([H:7])[C:1](=[O:4])[C:3]([H:8])([H:9])[H:10]', inchi_key='CSCPPACGZOOCGX-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651826', cmiles='[H:6][C:2]([H:7])([H:8])[C:1](=[O:4])[O:5][C:3]([H:9])([H:10])[H:11]', inchi_key='KXKVLQRXCPHEJC-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652041', cmiles='[H:6][C:2]([H:7])([H:8])[C:1](=[O:4])[O:5][C:3]([H:9])([H:10])[H:11]', inchi_key='KXKVLQRXCPHEJC-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651791', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[H:15])[O:10][C:7](=[O:9])[C:8]([H:16])([H:17])[H:18])[H:14])[H:12]', inchi_key='IPBVNPXQWQGGJP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652006', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[H:15])[O:10][C:7](=[O:9])[C:8]([H:16])([H:17])[H:18])[H:14])[H:12]', inchi_key='IPBVNPXQWQGGJP-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651733', cmiles='[H:10][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:12])[H:14])[C:7](=[O:9])[C:8]([H:15])([H:16])[H:17])[H:13])[H:11]', inchi_key='KWOLFJPFCHCOCG-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651948', cmiles='[H:10][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:12])[H:14])[C:7](=[O:9])[C:8]([H:15])([H:16])[H:17])[H:13])[H:11]', inchi_key='KWOLFJPFCHCOCG-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651818', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[C:7](=[O:9])[C:8]([H:15])([H:16])[H:17])[O:10][H:18])[H:14])[H:12]', inchi_key='JECYUBVRTQDVAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652033', cmiles='[H:11][c:1]1[c:2]([c:4]([c:6]([c:5]([c:3]1[H:13])[C:7](=[O:9])[C:8]([H:15])([H:16])[H:17])[O:10][H:18])[H:14])[H:12]', inchi_key='JECYUBVRTQDVAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651692', cmiles='[H:6][C:1]([H:7])([H:8])[C:4]([C:2]([H:9])([H:10])[H:11])([C:3]([H:12])([H:13])[H:14])[O:5][H:15]', inchi_key='DKGAVHZHDRPRBM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651907', cmiles='[H:6][C:1]([H:7])([H:8])[C:4]([C:2]([H:9])([H:10])[H:11])([C:3]([H:12])([H:13])[H:14])[O:5][H:15]', inchi_key='DKGAVHZHDRPRBM-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651840', cmiles='[H:7][C:1]([H:8])([H:9])[C:5]([C:2]([H:10])([H:11])[H:12])([C:3]([H:13])([H:14])[H:15])[O:6][C:4]([H:16])([H:17])[H:18]', inchi_key='BZLVMXJERCGZMT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652055', cmiles='[H:7][C:1]([H:8])([H:9])[C:5]([C:2]([H:10])([H:11])[H:12])([C:3]([H:13])([H:14])[H:15])[O:6][C:4]([H:16])([H:17])[H:18]', inchi_key='BZLVMXJERCGZMT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651704', cmiles='[H:11][C:3]([H:12])([H:13])[C:7]([H:23])([C:1](=[O:9])[C:2](=[O:10])[C:8]([H:24])([C:5]([H:17])([H:18])[H:19])[C:6]([H:20])([H:21])[H:22])[C:4]([H:14])([H:15])[H:16]', inchi_key='BANWXFSXYBCSAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651919', cmiles='[H:11][C:3]([H:12])([H:13])[C:7]([H:23])([C:1](=[O:9])[C:2](=[O:10])[C:8]([H:24])([C:5]([H:17])([H:18])[H:19])[C:6]([H:20])([H:21])[H:22])[C:4]([H:14])([H:15])[H:16]', inchi_key='BANWXFSXYBCSAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651848', cmiles='[H:11][C:3]([H:12])([H:13])[C:7]([H:23])([C:1](=[O:9])[C:2](=[O:10])[C:8]([H:24])([C:5]([H:17])([H:18])[H:19])[C:6]([H:20])([H:21])[H:22])[C:4]([H:14])([H:15])[H:16]', inchi_key='BANWXFSXYBCSAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652063', cmiles='[H:11][C:3]([H:12])([H:13])[C:7]([H:23])([C:1](=[O:9])[C:2](=[O:10])[C:8]([H:24])([C:5]([H:17])([H:18])[H:19])[C:6]([H:20])([H:21])[H:22])[C:4]([H:14])([H:15])[H:16]', inchi_key='BANWXFSXYBCSAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651755', cmiles='[H:11][C:3]([H:12])([H:13])[C:7]([H:23])([C:1](=[O:9])[C:2](=[O:10])[C:8]([H:24])([C:5]([H:17])([H:18])[H:19])[C:6]([H:20])([H:21])[H:22])[C:4]([H:14])([H:15])[H:16]', inchi_key='BANWXFSXYBCSAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651720', cmiles='[H:11][C:3]([H:12])([H:13])[C:7]([H:23])([C:1](=[O:9])[C:2](=[O:10])[C:8]([H:24])([C:5]([H:17])([H:18])[H:19])[C:6]([H:20])([H:21])[H:22])[C:4]([H:14])([H:15])[H:16]', inchi_key='BANWXFSXYBCSAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651935', cmiles='[H:11][C:3]([H:12])([H:13])[C:7]([H:23])([C:1](=[O:9])[C:2](=[O:10])[C:8]([H:24])([C:5]([H:17])([H:18])[H:19])[C:6]([H:20])([H:21])[H:22])[C:4]([H:14])([H:15])[H:16]', inchi_key='BANWXFSXYBCSAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651715', cmiles='[H:11][C:3]([H:12])([H:13])[C:7]([H:23])([C:1](=[O:9])[C:2](=[O:10])[C:8]([H:24])([C:5]([H:17])([H:18])[H:19])[C:6]([H:20])([H:21])[H:22])[C:4]([H:14])([H:15])[H:16]', inchi_key='BANWXFSXYBCSAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651930', cmiles='[H:11][C:3]([H:12])([H:13])[C:7]([H:23])([C:1](=[O:9])[C:2](=[O:10])[C:8]([H:24])([C:5]([H:17])([H:18])[H:19])[C:6]([H:20])([H:21])[H:22])[C:4]([H:14])([H:15])[H:16]', inchi_key='BANWXFSXYBCSAT-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32651882', cmiles='[H:9][C:3]([H:10])([H:11])[C:1](=[O:7])[C:2](=[O:8])[C:6]([H:18])([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17]', inchi_key='JENYBWHRLYZSSZ-UHFFFAOYSA-N'), BasicResult(type='basic', record_id='32652097', cmiles='[H:9][C:3]([H:10])([H:11])[C:1](=[O:7])[C:2](=[O:8])[C:6]([H:18])([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17]', inchi_key='JENYBWHRLYZSSZ-UHFFFAOYSA-N'), BasicResult(type='