Retrieving Result Collections

This example shows how QCSubmit can be used to retrieve the results of quantum chemical (QC) calculations from a QCFractal instance such as QCArchive.

In particular, it demonstrates 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

QCSubmit 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. By default, FractalClient connects to the main QCArchive server:

[2]:
from qcportal import PortalClient

qc_client = PortalClient("https://api.qcarchive.molssi.org:443")

Other servers can be accessed by providing the server’s URI.

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="spec_2",  # This used to be "resp-2-vacuum", but the spec name was changed in the QCArchive 0.50 migration
)
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=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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-ONEGZZNKNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-ARJAWSKDNA-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-ARJAWSKDNA-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-ARJAWSKDNA-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-ARJAWSKDNA-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-ARJAWSKDNA-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-JTQLQIEINA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-OIBJUYFYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-N'), 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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-N'), BasicResult(type='basic', record_id=32651863, cmiles='[H:3][C:1]([H:4])([H:5])[O:2][H:6]', inchi_key='OKKJLVBELUTLKV-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-N')]} provenance={} type='BasicResultCollection'
entries={'https://api.qcarchive.molssi.org:443/': [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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-N'), 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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-NDKGDYFDNA-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-NDKGDYFDNA-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-CYBMUJFWNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-FZOZFQFYNA-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-FZOZFQFYNA-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-QAEBLCPINA-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-QAEBLCPINA-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-QAEBLCPINA-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-BOFKXWBRNA-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-BOFKXWBRNA-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-BOFKXWBRNA-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-BOFKXWBRNA-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-BOFKXWBRNA-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-BOFKXWBRNA-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-BOFKXWBRNA-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-BOFKXWBRNA-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-BOFKXWBRNA-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-BOFKXWBRNA-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-BOFKXWBRNA-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-BOFKXWBRNA-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-BOFKXWBRNA-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-BOFKXWBRNA-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-BOFKXWBRNA-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-BOFKXWBRNA-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-BOFKXWBRNA-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-BOFKXWBRNA-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-BOFKXWBRNA-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-BOFKXWBRNA-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-UHFFFAOYNA-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-CRVKSJQPNA-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-CRVKSJQPNA-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-CRVKSJQPNA-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-CRVKSJQPNA-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-CRVKSJQPNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-QJJCGLHRNA-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-QJJCGLHRNA-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-QJJCGLHRNA-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-QJJCGLHRNA-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-BGGKNDAXNA-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-BGGKNDAXNA-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-FIUVECHJNA-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-UHFFFAOYNA-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-KZFATGLANA-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-KZFATGLANA-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-UHFFFAOYNA-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-FIUVECHJNA-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-FIUVECHJNA-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-FIUVECHJNA-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-FIUVECHJNA-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-FIUVECHJNA-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-FIUVECHJNA-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-FIUVECHJNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-YVMONPNENA-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-XQLVUEOTNA-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-XQLVUEOTNA-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-XQLVUEOTNA-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-XQLVUEOTNA-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-XQLVUEOTNA-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-XQLVUEOTNA-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-XQLVUEOTNA-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-JTQLQIEINA-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-JTQLQIEINA-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-JTQLQIEINA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-WASXASFCNA-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-UHFFFAOYNA-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-LBPRGKRZNA-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-NDKGDYFDNA-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-NDKGDYFDNA-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-NDKGDYFDNA-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-NDKGDYFDNA-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-NDKGDYFDNA-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-UHFFFAOYNA-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-DEPUQRHONA-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-DEPUQRHONA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-MECQSIQINA-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-MECQSIQINA-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-MECQSIQINA-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-MECQSIQINA-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-MECQSIQINA-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-MECQSIQINA-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-UHFFFAOYNA-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-WASXASFCNA-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-UHFFFAOYNA-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-SECBINFHNA-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-SECBINFHNA-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-WXRBYKJCNA-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-UHFFFAOYNA-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-WASXASFCNA-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-WASXASFCNA-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-WASXASFCNA-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-WASXASFCNA-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-WASXASFCNA-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-WASXASFCNA-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-WASXASFCNA-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-CQSFDIDMNA-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-CQSFDIDMNA-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-CQSFDIDMNA-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-CQSFDIDMNA-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-CQSFDIDMNA-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-CQSFDIDMNA-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-CQSFDIDMNA-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-CQSFDIDMNA-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-CQSFDIDMNA-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-CQSFDIDMNA-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-CQSFDIDMNA-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-CQSFDIDMNA-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-CQSFDIDMNA-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-CQSFDIDMNA-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-CQSFDIDMNA-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-CQSFDIDMNA-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-CQSFDIDMNA-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-CQSFDIDMNA-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-UHFFFAOYNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-YHMJCDSINA-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-YHMJCDSINA-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-YHMJCDSINA-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-IAUQMDSZNA-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-IAUQMDSZNA-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-IAUQMDSZNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-YVMONPNENA-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-UHFFFAOYNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-ZEYBBFMUNA-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-CVXXDPDJNA-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-WWUURVBRNA-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-WWUURVBRNA-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-UHFFFAOYNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-GMLBVZABNA-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-GMLBVZABNA-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-GMLBVZABNA-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-BGGKNDAXNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-YFHOEESVNA-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-UHFFFAOYNA-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-HPEAKAIJNA-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-GMLBVZABNA-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-GMLBVZABNA-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-HPEAKAIJNA-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-BIBOCKRRNA-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-BIBOCKRRNA-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-BXKDBHETNA-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-BXKDBHETNA-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-GMLBVZABNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-YFKPBYRVNA-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-YFKPBYRVNA-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-YFKPBYRVNA-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-MLMLSQDANA-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-MLMLSQDANA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-XWKXFZRBNA-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-LBPRGKRZNA-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-LBPRGKRZNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-BYPYZUCNNA-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-BYPYZUCNNA-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-SEYXRHQNNA-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-SEYXRHQNNA-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-HPEAKAIJNA-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-WUKNDPDINA-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-WUKNDPDINA-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-WUKNDPDINA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-YDLJOPNMNA-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-LBPRGKRZNA-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-LBPRGKRZNA-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-LBPRGKRZNA-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-LBPRGKRZNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-RXMQYKEDNA-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-RXMQYKEDNA-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-YHMJCDSINA-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-YHMJCDSINA-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-YHMJCDSINA-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-YHMJCDSINA-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-YHMJCDSINA-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-YHMJCDSINA-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-SECBINFHNA-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-SECBINFHNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-SECBINFHNA-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-SECBINFHNA-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-SECBINFHNA-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-UHFFFAOYNA-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-SECBINFHNA-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-VCHYOVAHNA-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-VCHYOVAHNA-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-VCHYOVAHNA-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-VCHYOVAHNA-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-VCHYOVAHNA-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-VCHYOVAHNA-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-VCHYOVAHNA-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-VCHYOVAHNA-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-VCHYOVAHNA-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-VCHYOVAHNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-YHMJCDSINA-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-YHMJCDSINA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-PLBDYLFSNA-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-PLBDYLFSNA-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-HNENSFHCNA-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-UHFFFAOYNA-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-HNENSFHCNA-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-XWKXFZRBNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-XWKXFZRBNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-PKSOQXRJNA-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-PKSOQXRJNA-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-UHFFFAOYNA-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-KZFATGLANA-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-KZFATGLANA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-WXRBYKJCNA-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-WXRBYKJCNA-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-KJQBJTEXNA-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-KJQBJTEXNA-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-KJQBJTEXNA-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-KJQBJTEXNA-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-KJQBJTEXNA-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-KJQBJTEXNA-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-KJQBJTEXNA-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-KJQBJTEXNA-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-KJQBJTEXNA-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-KJQBJTEXNA-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-KJQBJTEXNA-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-KJQBJTEXNA-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-KJQBJTEXNA-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-OVWMGBBENA-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-ISLYRVAYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-OAHLLOKONA-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-OAHLLOKONA-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-OAHLLOKONA-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-OAHLLOKONA-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-OAHLLOKONA-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-OAHLLOKONA-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-HPEAKAIJNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-MRVPVSSYNA-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-MRVPVSSYNA-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-MLMLSQDANA-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-MLMLSQDANA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-ZCFIWIBFNA-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-ZCFIWIBFNA-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-ZCFIWIBFNA-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-ZCFIWIBFNA-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-ZCFIWIBFNA-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-UHFFFAOYNA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-WXRBYKJCNA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-JYRVWZFONA-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-UHFFFAOYNA-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-QPJJXVBHNA-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-ODLFYWEKNA-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-ODLFYWEKNA-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-ODLFYWEKNA-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-ODLFYWEKNA-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-ODLFYWEKNA-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-ODLFYWEKNA-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-ODLFYWEKNA-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-ODLFYWEKNA-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-SECBINFHNA-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-SECBINFHNA-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-SECBINFHNA-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-YAQRNVERNA-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-YAQRNVERNA-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-YAQRNVERNA-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-YAQRNVERNA-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-YAQRNVERNA-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-YAQRNVERNA-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-YAQRNVERNA-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-VMLGORBDNA-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-VMLGORBDNA-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-VMLGORBDNA-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-VMLGORBDNA-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-VMLGORBDNA-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-VMLGORBDNA-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-VMLGORBDNA-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-VMLGORBDNA-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-VMLGORBDNA-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-VMLGORBDNA-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-VMLGORBDNA-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-VMLGORBDNA-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-VMLGORBDNA-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-VMLGORBDNA-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-VMLGORBDNA-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-VMLGORBDNA-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-VMLGORBDNA-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-VMLGORBDNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-YHYXMXQVNA-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-YHYXMXQVNA-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-CDDDEJBQNA-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-KZFATGLANA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-OVKKYNHZNA-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-OVKKYNHZNA-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-OVKKYNHZNA-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-OVKKYNHZNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-QMMMGPOBNA-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-NDPOHRJLNA-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-NDPOHRJLNA-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-NDPOHRJLNA-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-NDPOHRJLNA-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-NDPOHRJLNA-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-NDPOHRJLNA-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-NDPOHRJLNA-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-NDPOHRJLNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-KZFATGLANA-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-WOESNOLKNA-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-WOESNOLKNA-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-GRSHGNNSNA-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-GRSHGNNSNA-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-GRSHGNNSNA-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-GRSHGNNSNA-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-GFCCVEGCNA-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-GFCCVEGCNA-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-GFCCVEGCNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-ZETCQYMHNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-ZANVPECINA-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-ZETCQYMHNA-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-ZANVPECINA-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-ZANVPECINA-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-ZANVPECINA-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-ZANVPECINA-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-ZANVPECINA-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-ZANVPECINA-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-ZANVPECINA-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-ZANVPECINA-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-ZANVPECINA-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-ZANVPECINA-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-FQFUPTBWNA-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-FQFUPTBWNA-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-FQFUPTBWNA-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-FQFUPTBWNA-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-FMIVXFBMNA-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-FMIVXFBMNA-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-FMIVXFBMNA-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-FMIVXFBMNA-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-POHAHGRENA-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-FMIVXFBMNA-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-FMIVXFBMNA-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-FMIVXFBMNA-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-FMIVXFBMNA-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-FMIVXFBMNA-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-FMIVXFBMNA-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-UHFFFAOYNA-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-FMIVXFBMNA-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-FMIVXFBMNA-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-FMIVXFBMNA-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-FMIVXFBMNA-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-FMIVXFBMNA-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-FMIVXFBMNA-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-UHFFFAOYNA-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-FMIVXFBMNA-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-FMIVXFBMNA-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-YAQRNVERNA-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-YAQRNVERNA-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-YAQRNVERNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-ZETCQYMHNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-ZETCQYMHNA-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-IBTGMLSBNA-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-IBTGMLSBNA-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-IBTGMLSBNA-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-IBTGMLSBNA-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-IBTGMLSBNA-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-IBTGMLSBNA-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-QGWOGQPLNA-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-IBTGMLSBNA-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-IBTGMLSBNA-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-NDKGDYFDNA-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-NDKGDYFDNA-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-AWEZNQCLNA-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-AWEZNQCLNA-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-UHFFFAOYNA-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-AWEZNQCLNA-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-NPVYFSBINA-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-NPVYFSBINA-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-NPVYFSBINA-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-NPVYFSBINA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-QGWOGQPLNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UXBLZVDNNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-WZUFQYTHNA-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-WZUFQYTHNA-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-KNSGQNCFNA-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-KNSGQNCFNA-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-PVQBXLHCNA-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-PVQBXLHCNA-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-PVQBXLHCNA-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-PVQBXLHCNA-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-PVQBXLHCNA-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-PVQBXLHCNA-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-PVQBXLHCNA-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-HPEAKAIJNA-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-PVQBXLHCNA-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-ZDUSSCGKNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-LIRRHRJNNA-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-LIRRHRJNNA-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-LIRRHRJNNA-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-LIRRHRJNNA-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-UHFFFAOYNA-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-LIRRHRJNNA-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-LIRRHRJNNA-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-LIRRHRJNNA-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-LIRRHRJNNA-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-LIRRHRJNNA-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-LIRRHRJNNA-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-LIRRHRJNNA-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-BDPZTVERNA-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-BDPZTVERNA-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-BDPZTVERNA-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-BDPZTVERNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-WHOHDODWNA-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-WHOHDODWNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-LURJTMIENA-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-LURJTMIENA-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-CGOBSMCZNA-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-CGOBSMCZNA-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-CGOBSMCZNA-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-CGOBSMCZNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-CBJBALNANA-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-CBJBALNANA-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-CBJBALNANA-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-CBJBALNANA-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-CBJBALNANA-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-CBJBALNANA-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-CBJBALNANA-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-CBJBALNANA-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-CBJBALNANA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-NSHDSACANA-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-NSHDSACANA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-WZUFQYTHNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-DOTOQJQBNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-CBJBALNANA-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-CBJBALNANA-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-CBJBALNANA-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-CBJBALNANA-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-CBJBALNANA-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-CBJBALNANA-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-CBJBALNANA-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-JLGFQASFNA-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-JLGFQASFNA-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-JLGFQASFNA-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-JLGFQASFNA-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-LURJTMIENA-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-LURJTMIENA-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-WYUMXYHSNA-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-WYUMXYHSNA-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-MHWRWJLKNA-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-MHWRWJLKNA-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-MHWRWJLKNA-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-MHWRWJLKNA-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-MHWRWJLKNA-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-MHWRWJLKNA-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-MHWRWJLKNA-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-MHWRWJLKNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-HPEAKAIJNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-NDENLUEZNA-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-NDENLUEZNA-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-NDENLUEZNA-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-NDENLUEZNA-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-GFCCVEGCNA-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-GFCCVEGCNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-CNRZDNNGNA-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-UHFFFAOYNA-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-CNRZDNNGNA-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-CNRZDNNGNA-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-CNRZDNNGNA-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-WXRBYKJCNA-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-WXRBYKJCNA-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-WXRBYKJCNA-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-SSDOTTSWNA-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-SSDOTTSWNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-HHDOIKKUNA-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-HHDOIKKUNA-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-HHDOIKKUNA-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-HHDOIKKUNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-CBJBALNANA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-CBJBALNANA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-CBJBALNANA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-CBJBALNANA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-CBJBALNANA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-CBJBALNANA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-CBJBALNANA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-CBJBALNANA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-CBJBALNANA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-ZBEGNZNMNA-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-UHFFFAOYNA-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-JXMROGBWNA-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-JXMROGBWNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-QMMMGPOBNA-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-QMMMGPOBNA-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-QMMMGPOBNA-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-QMMMGPOBNA-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-QMMMGPOBNA-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-VCHYOVAHNA-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-VCHYOVAHNA-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-VCHYOVAHNA-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-VCHYOVAHNA-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-VCHYOVAHNA-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-VCHYOVAHNA-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-VCHYOVAHNA-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-VCHYOVAHNA-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-VCHYOVAHNA-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-VCHYOVAHNA-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-UHFFFAOYNA-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-MRVPVSSYNA-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-MRVPVSSYNA-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-WUKNDPDINA-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-WUKNDPDINA-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-CFFYDHHPNA-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-CFFYDHHPNA-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-CFFYDHHPNA-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-CFFYDHHPNA-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-HPEAKAIJNA-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-QBVJOEDHNA-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-QBVJOEDHNA-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-QBVJOEDHNA-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-QBVJOEDHNA-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-QBVJOEDHNA-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-QBVJOEDHNA-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-QBVJOEDHNA-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-QBVJOEDHNA-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-QBVJOEDHNA-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-QBVJOEDHNA-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-QBVJOEDHNA-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-QBVJOEDHNA-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-QBVJOEDHNA-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-CDCNKNBNNA-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-CDCNKNBNNA-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-CDCNKNBNNA-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-CDCNKNBNNA-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-GLFDYILZNA-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-GLFDYILZNA-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-YHMJCDSINA-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-YHMJCDSINA-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-YHMJCDSINA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-OPEFQRFINA-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-OPEFQRFINA-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-YDBFLLBANA-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-OPEFQRFINA-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-OPEFQRFINA-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-OPEFQRFINA-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-OPEFQRFINA-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-OPEFQRFINA-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-OPEFQRFINA-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-WZUFQYTHNA-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-OPEFQRFINA-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-OPEFQRFINA-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-OPEFQRFINA-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-OPEFQRFINA-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-QMMMGPOBNA-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-QMMMGPOBNA-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-YDBFLLBANA-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-YDBFLLBANA-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-HJWRWDBZNA-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-HJWRWDBZNA-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-HJWRWDBZNA-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-HJWRWDBZNA-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-HJWRWDBZNA-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-HJWRWDBZNA-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-MRVPVSSYNA-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-MRVPVSSYNA-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-QWOVJGMINA-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-QWOVJGMINA-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-QWOVJGMINA-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-QWOVJGMINA-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-QWOVJGMINA-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-QWOVJGMINA-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-QWOVJGMINA-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-QWOVJGMINA-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-QWOVJGMINA-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-UHFFFAOYNA-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-QWOVJGMINA-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-QWOVJGMINA-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-UHFFFAOYNA-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-ZETCQYMHNA-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-ZETCQYMHNA-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-MPIMZMORNA-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-UHFFFAOYNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-MPIMZMORNA-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-UHFFFAOYNA-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-VIFPVBQENA-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-VIFPVBQENA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-SECBINFHNA-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-SECBINFHNA-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-SECBINFHNA-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-SECBINFHNA-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-UOWSRKGZNA-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-UOWSRKGZNA-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-UOWSRKGZNA-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-UOWSRKGZNA-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-UOWSRKGZNA-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-UOWSRKGZNA-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-UOWSRKGZNA-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-UOWSRKGZNA-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-UOWSRKGZNA-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-UOWSRKGZNA-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-UOWSRKGZNA-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-UOWSRKGZNA-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-UOWSRKGZNA-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-UHFFFAOYNA-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-QMMMGPOBNA-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-QMMMGPOBNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-UHFFFAOYNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-UHFFFAOYNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-UHFFFAOYNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-WXRBYKJCNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-WXRBYKJCNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-CHHVJCJINA-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-ZIAGYGMSNA-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-ZIAGYGMSNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-WXRBYKJCNA-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-WXRBYKJCNA-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-UHFFFAOYNA-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-PTNGSMBKNA-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-PTNGSMBKNA-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-PTNGSMBKNA-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-PTNGSMBKNA-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-PTNGSMBKNA-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-PTNGSMBKNA-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-HPEAKAIJNA-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-PTNGSMBKNA-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-PTNGSMBKNA-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-PTNGSMBKNA-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-PTNGSMBKNA-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-PTNGSMBKNA-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-PTNGSMBKNA-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-HPEAKAIJNA-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-PTNGSMBKNA-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-PTNGSMBKNA-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-PTNGSMBKNA-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-LURJTMIENA-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-LURJTMIENA-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-UDWIEESQNA-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-WXRBYKJCNA-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-MVCHINRSNA-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-MVCHINRSNA-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-MVCHINRSNA-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-MVCHINRSNA-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-MVCHINRSNA-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-MVCHINRSNA-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-MVCHINRSNA-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-MVCHINRSNA-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-MVCHINRSNA-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-MVCHINRSNA-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-MVCHINRSNA-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-MVCHINRSNA-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-MVCHINRSNA-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-MVCHINRSNA-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-MVCHINRSNA-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-MVCHINRSNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-KZFATGLANA-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-KZFATGLANA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-HCKMINDGNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-RZBVZBSFNA-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-RZBVZBSFNA-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-UYRXBGFRNA-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-UYRXBGFRNA-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-UYRXBGFRNA-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-UYRXBGFRNA-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-UYRXBGFRNA-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-UYRXBGFRNA-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-UYRXBGFRNA-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-UYRXBGFRNA-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-UYRXBGFRNA-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-UYRXBGFRNA-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-UYRXBGFRNA-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-UYRXBGFRNA-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-UYRXBGFRNA-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-UYRXBGFRNA-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-UYRXBGFRNA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-CHHVJCJINA-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-GPQMBLKYNA-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-GPQMBLKYNA-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-GPQMBLKYNA-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-GPQMBLKYNA-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-GPQMBLKYNA-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-GPQMBLKYNA-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-IZBROOBRNA-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-IZBROOBRNA-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-IZBROOBRNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-RHGWGLEINA-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-RHGWGLEINA-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-RHGWGLEINA-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-RHGWGLEINA-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-RHGWGLEINA-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-RHGWGLEINA-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-RHGWGLEINA-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-RHGWGLEINA-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-RHGWGLEINA-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-UHFFFAOYNA-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-RHGWGLEINA-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-RHGWGLEINA-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-RHGWGLEINA-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-RHGWGLEINA-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-RHGWGLEINA-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-RHGWGLEINA-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-UHFFFAOYNA-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-RHGWGLEINA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-QMMMGPOBNA-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-QMMMGPOBNA-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-OAHLLOKONA-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-OAHLLOKONA-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-UHFFFAOYNA-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-OAHLLOKONA-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-OAHLLOKONA-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-OAHLLOKONA-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-OAHLLOKONA-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-OAHLLOKONA-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-OAHLLOKONA-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-OAHLLOKONA-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-OAHLLOKONA-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-OAHLLOKONA-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-OAHLLOKONA-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-OAHLLOKONA-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-OAHLLOKONA-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-OAHLLOKONA-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-OAHLLOKONA-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-OAHLLOKONA-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-OAHLLOKONA-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-JJFYIABZNA-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-JJFYIABZNA-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-JJFYIABZNA-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-JJFYIABZNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-WXRBYKJCNA-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-WXRBYKJCNA-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-JTVOEUTENA-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-JTVOEUTENA-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-JTVOEUTENA-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-JTVOEUTENA-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-JTVOEUTENA-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-JTVOEUTENA-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-JTVOEUTENA-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-JTVOEUTENA-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-JTVOEUTENA-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-JTVOEUTENA-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-JTVOEUTENA-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-LUCUVWQUNA-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-LUCUVWQUNA-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-LUCUVWQUNA-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-LUCUVWQUNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-WSVATBPTNA-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-WSVATBPTNA-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-WSVATBPTNA-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-WSVATBPTNA-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-WSVATBPTNA-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-WSVATBPTNA-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-UHFFFAOYNA-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-WSVATBPTNA-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-WSVATBPTNA-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-WSVATBPTNA-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-WSVATBPTNA-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-WSVATBPTNA-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-WSVATBPTNA-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-UHFFFAOYNA-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-WSVATBPTNA-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-WSVATBPTNA-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-WSVATBPTNA-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-WSVATBPTNA-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-WSVATBPTNA-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-WSVATBPTNA-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-UHFFFAOYNA-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-WSVATBPTNA-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-WSVATBPTNA-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-WSVATBPTNA-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-WSVATBPTNA-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-WSVATBPTNA-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-WSVATBPTNA-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-UHFFFAOYNA-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-WSVATBPTNA-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-WSVATBPTNA-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-QZYNNIQWNA-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-QZYNNIQWNA-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-QZYNNIQWNA-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-QZYNNIQWNA-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-QZYNNIQWNA-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-QZYNNIQWNA-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-QZYNNIQWNA-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-QZYNNIQWNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-ISLYRVAYNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-UHFFFAOYNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-UHFFFAOYNA-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-HCKMINDGNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-JJFYIABZNA-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-JJFYIABZNA-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-JJFYIABZNA-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-JJFYIABZNA-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-ISLYRVAYNA-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-YAQRNVERNA-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-YAQRNVERNA-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-YAQRNVERNA-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-RGEXLXHINA-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-RGEXLXHINA-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-VIZOYTHANA-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-RGEXLXHINA-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-RGEXLXHINA-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-RGEXLXHINA-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-RGEXLXHINA-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-RGEXLXHINA-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-RGEXLXHINA-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-RGEXLXHINA-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-RGEXLXHINA-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-RGEXLXHINA-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-RGEXLXHINA-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-RGEXLXHINA-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-RGEXLXHINA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-CIDFMABKNA-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-CIDFMABKNA-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-CIDFMABKNA-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-WYUMXYHSNA-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-KZFATGLANA-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-KZFATGLANA-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-KZFATGLANA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-RFWIMHESNA-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-RXMQYKEDNA-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-RXMQYKEDNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-KAKQEUFUNA-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-FZOZFQFYNA-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-KAKQEUFUNA-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-KAKQEUFUNA-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-KAKQEUFUNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-QYFZGZIANA-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-QYFZGZIANA-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-QYFZGZIANA-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-QYFZGZIANA-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-QYFZGZIANA-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-QYFZGZIANA-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-QYFZGZIANA-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-QYFZGZIANA-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-QYFZGZIANA-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-QYFZGZIANA-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-QYFZGZIANA-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-QYFZGZIANA-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-QYFZGZIANA-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-UHFFFAOYNA-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-KZFATGLANA-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-KZFATGLANA-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-FZOZFQFYNA-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-YAQRNVERNA-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-YAQRNVERNA-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-YAQRNVERNA-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-YAQRNVERNA-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-YAQRNVERNA-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-YAQRNVERNA-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-YAQRNVERNA-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-YAQRNVERNA-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-YAQRNVERNA-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-YAQRNVERNA-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-YAQRNVERNA-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-YAQRNVERNA-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-YAQRNVERNA-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-YAQRNVERNA-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-JYPIBDAINA-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-JYPIBDAINA-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-KTZMUZOWNA-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-KTZMUZOWNA-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-KTZMUZOWNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-LHUZRVHENA-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-LHUZRVHENA-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-LHUZRVHENA-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-LHUZRVHENA-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-LHUZRVHENA-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-LHUZRVHENA-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-LHUZRVHENA-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-LHUZRVHENA-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-LHUZRVHENA-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-LHUZRVHENA-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-LHUZRVHENA-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-LHUZRVHENA-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-LHUZRVHENA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-VIZOYTHANA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-KRWDZBQONA-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-KRWDZBQONA-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-KRWDZBQONA-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-KRWDZBQONA-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-KRWDZBQONA-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-KRWDZBQONA-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-KRWDZBQONA-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-KRWDZBQONA-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-KRWDZBQONA-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-KRWDZBQONA-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-KRWDZBQONA-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-KRWDZBQONA-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-KRWDZBQONA-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-KRWDZBQONA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-VHEBQXMUNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-MDVJYLRGNA-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-MDVJYLRGNA-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-MDVJYLRGNA-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-MDVJYLRGNA-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-HWVIBWEVNA-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-HWVIBWEVNA-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-HWVIBWEVNA-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-HWVIBWEVNA-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-HWVIBWEVNA-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-HWVIBWEVNA-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-HWVIBWEVNA-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-BGGKNDAXNA-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-HWVIBWEVNA-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-MSUUIHNZNA-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-MSUUIHNZNA-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-SCHZAZGBNA-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-SCHZAZGBNA-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-SCHZAZGBNA-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-SCHZAZGBNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-BGGKNDAXNA-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-BGGKNDAXNA-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-YBFXNURJNA-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-YBFXNURJNA-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-YBFXNURJNA-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-YBFXNURJNA-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-YBFXNURJNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-QMMMGPOBNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-WXRBYKJCNA-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-WXRBYKJCNA-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-WXRBYKJCNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-BKUYFWCQNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-UIBODTLPNA-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-UIBODTLPNA-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-UIBODTLPNA-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-UIBODTLPNA-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-UIBODTLPNA-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-UIBODTLPNA-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-UIBODTLPNA-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-UIBODTLPNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-ADEMZGKBNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-ADEMZGKBNA-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-ADEMZGKBNA-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-ADEMZGKBNA-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-ADEMZGKBNA-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-ADEMZGKBNA-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-ADEMZGKBNA-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-ADEMZGKBNA-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-ADEMZGKBNA-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-ADEMZGKBNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-NXVVXOECNA-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-MRVPVSSYNA-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-MRVPVSSYNA-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-MRVPVSSYNA-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-MRVPVSSYNA-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-MRVPVSSYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-WUKNDPDINA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-WYUMXYHSNA-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-WYUMXYHSNA-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-WYUMXYHSNA-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-WYUMXYHSNA-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-WYUMXYHSNA-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-WYUMXYHSNA-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-WYUMXYHSNA-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-WYUMXYHSNA-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-WYUMXYHSNA-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-WYUMXYHSNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UFWORHAWNA-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-UFWORHAWNA-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-UFWORHAWNA-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-UFWORHAWNA-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-UYBDAZJANA-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-UYBDAZJANA-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-UYBDAZJANA-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-UYBDAZJANA-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-UYBDAZJANA-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-UYBDAZJANA-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-UYBDAZJANA-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-UYBDAZJANA-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-UYBDAZJANA-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-UYBDAZJANA-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-UYBDAZJANA-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-UYBDAZJANA-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-UYBDAZJANA-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-UYBDAZJANA-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-UYBDAZJANA-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-UYBDAZJANA-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-UYBDAZJANA-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-UYBDAZJANA-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-CQSZACIVNA-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-CQSZACIVNA-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-ZETCQYMHNA-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-CQSZACIVNA-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-CQSZACIVNA-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-CQSZACIVNA-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-CQSZACIVNA-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-CQSZACIVNA-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-CQSZACIVNA-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-CQSZACIVNA-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-CQSZACIVNA-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-WXRBYKJCNA-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-WXRBYKJCNA-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-WXRBYKJCNA-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-ZETCQYMHNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-SNULUUQUNA-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-SNULUUQUNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-CDDDEJBQNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-CDDDEJBQNA-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-WXRBYKJCNA-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-WXRBYKJCNA-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-WXRBYKJCNA-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-LJOYNVJHNA-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-LJOYNVJHNA-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-LJOYNVJHNA-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-LJOYNVJHNA-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-LJOYNVJHNA-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-LJOYNVJHNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-ZWPVGSEGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-WOESNOLKNA-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-WOESNOLKNA-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-ZWPVGSEGNA-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-ZWPVGSEGNA-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-ZWPVGSEGNA-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-RXMQYKEDNA-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-RXMQYKEDNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-LBPRGKRZNA-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-LBPRGKRZNA-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-LBPRGKRZNA-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-LBPRGKRZNA-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-LBPRGKRZNA-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-LBPRGKRZNA-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-LBPRGKRZNA-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-LBPRGKRZNA-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-LBPRGKRZNA-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-LBPRGKRZNA-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-LBPRGKRZNA-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-ZHACJKMWNA-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-ZHACJKMWNA-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-SCWFOTMGNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-DTQAZKPQNA-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-DTQAZKPQNA-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-JFNKQFOPNA-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-LCHPOZBZNA-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-JFNKQFOPNA-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-JFNKQFOPNA-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-JFNKQFOPNA-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-JFNKQFOPNA-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-JFNKQFOPNA-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-LCHPOZBZNA-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-LCHPOZBZNA-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-LCHPOZBZNA-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-LCHPOZBZNA-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-LCHPOZBZNA-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-LCHPOZBZNA-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-LCHPOZBZNA-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-UHFFFAOYNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-MGPQQGTHNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-MSUUIHNZNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-MSUUIHNZNA-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-MSUUIHNZNA-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-MSUUIHNZNA-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-UHFFFAOYNA-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-GPQMBLKYNA-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-GPQMBLKYNA-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-GPQMBLKYNA-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-GPQMBLKYNA-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-GPQMBLKYNA-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-GPQMBLKYNA-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-GPQMBLKYNA-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-GPQMBLKYNA-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-WXRBYKJCNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-DQRAZIAONA-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-CQSZACIVNA-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-CQSZACIVNA-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-CQSZACIVNA-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-CQSZACIVNA-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-CQSZACIVNA-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-CQSZACIVNA-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-UHFFFAOYNA-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-CQSZACIVNA-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-CQSZACIVNA-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-VIFPVBQENA-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-SECBINFHNA-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-SECBINFHNA-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-QOWLZYSJNA-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-UHFFFAOYNA-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-QOWLZYSJNA-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-QOWLZYSJNA-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-QOWLZYSJNA-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-QOWLZYSJNA-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-QOWLZYSJNA-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-QOWLZYSJNA-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-QOWLZYSJNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-FQEVSTJZNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-ISLYRVAYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-KZFATGLANA-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-KZFATGLANA-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-KZFATGLANA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-DAGZTHBCNA-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-DAGZTHBCNA-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-DAGZTHBCNA-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-DAGZTHBCNA-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-DAGZTHBCNA-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-UHFFFAOYNA-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-SCSAIBSYNA-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-SCSAIBSYNA-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-SCSAIBSYNA-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-SCSAIBSYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-MWLCHTKSNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-GXBIOTHZNA-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-GXBIOTHZNA-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-GXBIOTHZNA-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-GXBIOTHZNA-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-GXBIOTHZNA-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-GXBIOTHZNA-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-GXBIOTHZNA-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-GXBIOTHZNA-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-PVQBXLHCNA-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-PVQBXLHCNA-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-PVQBXLHCNA-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-PVQBXLHCNA-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-PVQBXLHCNA-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-PVQBXLHCNA-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-PVQBXLHCNA-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-PVQBXLHCNA-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-PVQBXLHCNA-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-PVQBXLHCNA-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-PVQBXLHCNA-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-KUUFJNHRNA-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-KUUFJNHRNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-XWKXFZRBNA-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-UHFFFAOYNA-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-PBYJHAPZNA-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-PBYJHAPZNA-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-PBYJHAPZNA-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-PBYJHAPZNA-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-PBYJHAPZNA-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-PBYJHAPZNA-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-UHFFFAOYNA-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-PBYJHAPZNA-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-PBYJHAPZNA-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-PBYJHAPZNA-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-PBYJHAPZNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-HPEAKAIJNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-YZAUIAIMNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-LILDFLRNNA-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-HCKMINDGNA-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-HCKMINDGNA-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-FZOZFQFYNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-HCKMINDGNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-FZOZFQFYNA-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-FZOZFQFYNA-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-FZOZFQFYNA-N')]} provenance={} type='OptimizationResultCollection'
entries={'https://api.qcarchive.molssi.org:443/': [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-WXRBYKJCNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-FZOZFQFYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-KZFATGLANA-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-KZFATGLANA-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-WXRBYKJCNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-KZFATGLANA-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-UHFFFAOYNA-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-UHFFFAOYNA-N'), 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-KZFATGLANA-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-KZFATGLANA-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-UHFFFAOYNA-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-UHFFFAOYNA-N'), 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-KZFATGLANA-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-XIMAAISONA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-YHMJCDSINA-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-UHFFFAOYNA-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-KZFATGLANA-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-FLKJISBTNA-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-RWHMZQFQNA-O'), 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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-IEEXIWPXNA-O'), 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-XWKXFZRBNA-N'), 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-UHFFFAOYNA-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-KZFATGLANA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-WXRBYKJCNA-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-UHFFFAOYNA-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-KZFATGLANA-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-UHPRWLQJNA-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-KZFATGLANA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-YHMJCDSINA-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-UHFFFAOYNA-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-XWKXFZRBNA-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-WXRBYKJCNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-KZFATGLANA-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-UHFFFAOYNA-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-VPQZEOPVNA-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-UHFFFAOYNA-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-KZFATGLANA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-XQMQJMAZNA-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-UHFFFAOYNA-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-XWKXFZRBNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-ZYCOEXNSNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-XWKXFZRBNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-YAQRNVERNA-N'), 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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-KQHFZMTDNA-O'), 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-UHFFFAOYNA-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-KZFATGLANA-N')]} provenance={} type='TorsionDriveResultCollection'

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

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:   191
N MOLECULES: 91
===OPTIMIZATION RESULTS===
N RESULTS:   2398
N MOLECULES: 419
===TORSION DRIVE RESULTS===
N RESULTS:   87
N MOLECULES: 87

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=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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-ONEGZZNKNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-ARJAWSKDNA-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-ARJAWSKDNA-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-ARJAWSKDNA-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-ARJAWSKDNA-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-ARJAWSKDNA-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-JTQLQIEINA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-OIBJUYFYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-N'), 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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-N'), BasicResult(type='basic', record_id=32651863, cmiles='[H:3][C:1]([H:4])([H:5])[O:2][H:6]', inchi_key='OKKJLVBELUTLKV-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-N')]}, provenance={}, type='BasicResultCollection')

Each of these collections will store the referenced results in their entries dictionary. This dictionary uses the address of the QCFractal server as keys:

[6]:
torsion_drive_result_collection.entries.keys()
[6]:
dict_keys(['https://api.qcarchive.molssi.org:443/'])

This allows results generated by multiple different servers (e.g. a local fractal instance and the public QCArchive server) to be stored in a single result collection object.

The references to the actual data are then stored in corresponding lists:

[7]:
torsion_drive_result_collection.entries[qc_client.address][:10]
[7]:
[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-WXRBYKJCNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-FZOZFQFYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-UHFFFAOYNA-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-KZFATGLANA-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-KZFATGLANA-N')]

After running the above command, notice that the entries stored in the collection are not the actual result records generated and stored on the server, but rather a reference to them. In particular, the unique ID of the record is stored along with a SMILES depiction of the molecule the result was generated for.

The main reason for doing this is that we often would like to be able to state which data we would like to use in an application without having to create multiple copies of the data. Not only can this take up large amounts of disk space, it runs the risk of data becoming out of sync with the original if the format the records are stored in changes or the local copy of the data is accidentally mutated. Storing a reference to the original data and then retrieving it when needed is typically a cleaner and safer solution.

Retrieving the result records

The raw result record objects can be easily retrieved using the result collection objects:

[8]:
torsion_drive_records = torsion_drive_result_collection.to_records()
torsion_drive_records[:5]
[8]:
[(TorsiondriveRecord(id=21272379, record_type='torsiondrive', is_service=True, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name=None, created_on=datetime.datetime(2020, 7, 21, 16, 42, 27, 710811), modified_on=datetime.datetime(2020, 7, 21, 16, 42, 27, 710809), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=TorsiondriveSpecification(program='torsiondrive', optimization_specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), keywords=TorsiondriveKeywords(dihedrals=[(3, 5, 8, 10)], grid_spacing=[15], dihedral_ranges=None, energy_decrease_thresh=None, energy_upper_limit=0.05)), initial_molecules_ids_=None, optimizations_=None, initial_molecules_=None, optimizations_cache_=None, minimum_optimizations_cache_={(-45,): OptimizationRecord(id=21357232, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-7p5dv-5ae6322b-91de-4f91-9e3f-b416db861c2c', created_on=datetime.datetime(2020, 7, 23, 21, 37, 38, 324221), modified_on=datetime.datetime(2020, 7, 23, 21, 47, 49, 277274), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -45, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14854563, final_molecule_id=14855849, energies=[-457.3352674420824, -457.3350674605238, -457.3349090409547, -457.3345664739135, -457.33460512069905, -457.3346133343404, -457.3346193834359, -457.3346219608583, -457.3346239928496, -457.3346239911976], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='aea787e'), trajectory_ids_=None, trajectory_records_=None), (-30,): OptimizationRecord(id=21356063, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 21, 23, 42, 855064), modified_on=datetime.datetime(2020, 7, 23, 21, 26, 40, 196982), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -30, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14853634, final_molecule_id=14854563, energies=[-457.3346210528226, -457.3349268621567, -457.3350697972142, -457.3352100836632, -457.33524901884965, -457.33524752173383, -457.33526641273653, -457.33526473451786, -457.3352674758453, -457.3352674422217], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='50f2fed'), trajectory_ids_=None, trajectory_records_=None), (15,): OptimizationRecord(id=21353633, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 21, 5, 41, 760088), modified_on=datetime.datetime(2020, 7, 23, 21, 13, 59, 838581), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 15, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14851968, final_molecule_id=14853237, energies=[-457.3346185846664, -457.33454718737045, -457.33457310652585, -457.3347422198146, -457.334854187685, -457.3349351257515, -457.33497451172235, -457.33500175937877, -457.33501009080237, -457.33500907377083, -457.3350144592683, -457.33501481017845], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='06a62b2'), trajectory_ids_=None, trajectory_records_=None), (-15,): OptimizationRecord(id=21353632, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-mr66l-afd2c202-ead4-40d9-ad50-b537fcdb8aa0', created_on=datetime.datetime(2020, 7, 23, 21, 5, 40, 770754), modified_on=datetime.datetime(2020, 7, 23, 21, 22, 15, 314715), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -15, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14851968, final_molecule_id=14854128, energies=[-457.33461858094637, -457.33454729477995, -457.33457361298167, -457.33474331329114, -457.3348555601085, -457.33493606422917, -457.3349745279813, -457.33500123337245, -457.33500954235063, -457.3350088442661, -457.3350144381258, -457.33501480269473], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='0b90223'), trajectory_ids_=None, trajectory_records_=None), (0,): OptimizationRecord(id=21351963, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 20, 53, 42, 770858), modified_on=datetime.datetime(2020, 7, 23, 21, 5, 16, 727068), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 0, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14849385, final_molecule_id=14851968, energies=[-457.33501435684406, -457.3346932720262, -457.33453890743345, -457.33436584397003, -457.3344917823547, -457.3345061795771, -457.3345114508696, -457.33452287731285, -457.334533694883, -457.3345492068128, -457.33456709278147, -457.33458590086724, -457.3346027192177, -457.33461308606786, -457.33461821332037, -457.334618584691], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='045b36f'), trajectory_ids_=None, trajectory_records_=None), (-60,): OptimizationRecord(id=21351962, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 20, 53, 41, 789683), modified_on=datetime.datetime(2020, 7, 23, 21, 4, 13, 507935), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -60, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14849181, final_molecule_id=14851932, energies=[-457.33181384300246, -457.33222866999205, -457.33253049896734, -457.33306762053127, -457.33313925706284, -457.3332040575215, -457.3332109597481, -457.33323564553007, -457.33323449754823, -457.33324072254305, -457.33324099852285], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='819d392'), trajectory_ids_=None, trajectory_records_=None), (-90,): OptimizationRecord(id=21351961, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 20, 53, 40, 800740), modified_on=datetime.datetime(2020, 7, 23, 21, 4, 13, 507935), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -90, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14849181, final_molecule_id=14851922, energies=[-457.3318138430026, -457.3312804514027, -457.3310601667166, -457.3308094810435, -457.3309876848054, -457.3311325604391, -457.33119287973045, -457.3311837848746, -457.3312073100385, -457.3312064993409, -457.33120946839097], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='d999283'), trajectory_ids_=None, trajectory_records_=None), (45,): OptimizationRecord(id=21349161, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-xnsqc-e86e4852-405a-477b-b612-0deaebedd316', created_on=datetime.datetime(2020, 7, 23, 20, 27, 45, 855316), modified_on=datetime.datetime(2020, 7, 23, 20, 51, 45, 42610), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 45, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14847857, final_molecule_id=14850270, energies=[-457.33526743701657, -457.33506686498714, -457.33491162096436, -457.3345690463982, -457.33460639206817, -457.33461374426537, -457.33462168276856, -457.33461944265633, -457.334623993561, -457.3346240157951], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='a495988'), trajectory_ids_=None, trajectory_records_=None), (-75,): OptimizationRecord(id=21349159, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 20, 27, 43, 877677), modified_on=datetime.datetime(2020, 7, 23, 20, 40, 43, 107140), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -75, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14847793, final_molecule_id=14849181, energies=[-457.3312082645029, -457.331161737081, -457.3312105221246, -457.33137551065755, -457.3315317948868, -457.3317404489047, -457.33174568591784, -457.331804467913, -457.33180617234655, -457.3318148390955, -457.3318138446446], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='1d91a21'), trajectory_ids_=None, trajectory_records_=None), (60,): OptimizationRecord(id=21347423, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 20, 11, 50, 59), modified_on=datetime.datetime(2020, 7, 23, 20, 25, 58, 389115), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 60, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14845343, final_molecule_id=14847803, energies=[-457.3346218328601, -457.33405424873774, -457.3336900477089, -457.33313319831615, -457.33320237291815, -457.3332253889807, -457.33323804822777, -457.3332395654452, -457.33323986965934], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='b98633b'), trajectory_ids_=None, trajectory_records_=None), (30,): OptimizationRecord(id=21347422, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 20, 11, 49, 10762), modified_on=datetime.datetime(2020, 7, 23, 20, 27, 1, 511435), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 30, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14845343, final_molecule_id=14847857, energies=[-457.3346218328597, -457.3349249640796, -457.33507051608484, -457.33519965918885, -457.33524409167796, -457.3352577112615, -457.3352647807652, -457.33526496670333, -457.3352670261704, -457.33526743814934], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='f40f27e'), trajectory_ids_=None, trajectory_records_=None), (75,): OptimizationRecord(id=21344962, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-xnsqc-e86e4852-405a-477b-b612-0deaebedd316', created_on=datetime.datetime(2020, 7, 23, 19, 45, 41, 519259), modified_on=datetime.datetime(2020, 7, 23, 20, 10, 32, 936540), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 75, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14843903, final_molecule_id=14846188, energies=[-457.3332398055389, -457.33252494222074, -457.3321435903617, -457.33164146770673, -457.33171922279877, -457.331790959627, -457.3317873020584, -457.3318120134358, -457.33180811309063, -457.3318162316557, -457.33181614930743], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='90fe0c8'), trajectory_ids_=None, trajectory_records_=None), (-105,): OptimizationRecord(id=21344960, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 19, 45, 39, 557676), modified_on=datetime.datetime(2020, 7, 23, 20, 0, 34, 596176), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -105, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14842819, final_molecule_id=14845333, energies=[-457.3332778338292, -457.332573477001, -457.3321909195128, -457.3316673511739, -457.33174481693703, -457.33181528462825, -457.3318145701094, -457.33183993193313, -457.33183586893773, -457.33184365557304, -457.33184364660343], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='24762f8'), trajectory_ids_=None, trajectory_records_=None), (-135,): OptimizationRecord(id=21344959, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 19, 45, 38, 573417), modified_on=datetime.datetime(2020, 7, 23, 20, 1, 37, 274859), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -135, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14842819, final_molecule_id=14845421, energies=[-457.33327783382913, -457.3338062408041, -457.3341342735375, -457.33454567643764, -457.33461096313727, -457.3346271905664, -457.3346297124383, -457.33463501641666, -457.33463396428175, -457.3346355442835], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='ae28e66'), trajectory_ids_=None, trajectory_records_=None), (-120,): OptimizationRecord(id=21341353, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 19, 17, 51, 612979), modified_on=datetime.datetime(2020, 7, 23, 19, 34, 15, 56926), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -120, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14840465, final_molecule_id=14842819, energies=[-457.3346349634745, -457.3340891341448, -457.333743160062, -457.3331896433642, -457.33324314288086, -457.33326653966094, -457.3332743505413, -457.3332775314939, -457.3332778365362], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='0c4a82c'), trajectory_ids_=None, trajectory_records_=None), (-150,): OptimizationRecord(id=21341342, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 19, 17, 50, 647178), modified_on=datetime.datetime(2020, 7, 23, 19, 33, 11, 143428), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -150, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14840465, final_molecule_id=14842695, energies=[-457.3346349634743, -457.3349431738101, -457.3350973790311, -457.3351983360247, -457.33524505143504, -457.33526147239274, -457.3352620946355, -457.335267008355, -457.33526656781214], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='52cf9a7'), trajectory_ids_=None, trajectory_records_=None), (105,): OptimizationRecord(id=21339122, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 18, 59, 41, 858218), modified_on=datetime.datetime(2020, 7, 23, 19, 17, 3, 365401), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 105, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14838368, final_molecule_id=14840661, energies=[-457.33120932948725, -457.33117633179785, -457.33122837897434, -457.331418173411, -457.3316186281076, -457.33172404006604, -457.331810427944, -457.3318071726523, -457.3318386410616, -457.33184094103495, -457.3318433072201, -457.3318425742914], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='a62a61d'), trajectory_ids_=None, trajectory_records_=None), (90,): OptimizationRecord(id=21336449, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 18, 33, 39, 650404), modified_on=datetime.datetime(2020, 7, 23, 18, 55, 37, 655708), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 90, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14835915, final_molecule_id=14838368, energies=[-457.33183923354676, -457.3313204520591, -457.33107238533074, -457.3308625408675, -457.3309753427156, -457.331122315747, -457.33113734559896, -457.3311994007185, -457.3311996080742, -457.3312086885879, -457.33120932906456], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='2324858'), trajectory_ids_=None, trajectory_records_=None), (135,): OptimizationRecord(id=21333559, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 18, 5, 40, 726257), modified_on=datetime.datetime(2020, 7, 23, 18, 32, 7, 143512), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 135, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14833342, final_molecule_id=14835923, energies=[-457.33327837467704, -457.3338066303714, -457.3341352118457, -457.33454926937014, -457.3346107888273, -457.33462497276344, -457.33463007793836, -457.3346343745259, -457.3346337091406], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='8b5b072'), trajectory_ids_=None, trajectory_records_=None), (-165,): OptimizationRecord(id=21333557, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 18, 5, 38, 756860), modified_on=datetime.datetime(2020, 7, 23, 18, 31, 4, 522235), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -165, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14823904, final_molecule_id=14835880, energies=[-457.3346181424778, -457.33453258451436, -457.33456975253665, -457.3347676631903, -457.334840486814, -457.33492618912, -457.3349483971325, -457.3349986776111, -457.3350081850528, -457.3350131078903, -457.3350159725295, -457.3350159430012], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='f67a4f4'), trajectory_ids_=None, trajectory_records_=None), (180,): OptimizationRecord(id=21319278, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 14, 49, 46, 923110), modified_on=datetime.datetime(2020, 7, 23, 15, 59, 6, 249325), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 180, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14820118, final_molecule_id=14823904, energies=[-457.33501585768073, -457.33468638369703, -457.3345324568704, -457.3343659472463, -457.3344507412072, -457.33453353919367, -457.3345849160939, -457.33460428852766, -457.33460351955165, -457.33461728991114, -457.3346181440748], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='66b0c5f'), trajectory_ids_=None, trajectory_records_=None), (150,): OptimizationRecord(id=21319277, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 14, 49, 45, 894365), modified_on=datetime.datetime(2020, 7, 23, 15, 58, 3, 557669), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 150, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14820118, final_molecule_id=14823877, energies=[-457.3350158576815, -457.335122916125, -457.33518972903715, -457.3352001700731, -457.3352454413983, -457.3352573551585, -457.33526320228526, -457.3352667989107, -457.33526693584054], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='7ce8f7b'), trajectory_ids_=None, trajectory_records_=None), (120,): OptimizationRecord(id=21319275, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 14, 49, 43, 898527), modified_on=datetime.datetime(2020, 7, 23, 18, 4, 28, 366822), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 120, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14820111, final_molecule_id=14833342, energies=[-457.33463242717227, -457.3340853005351, -457.333736435512, -457.3331968237445, -457.33324854452286, -457.3332508628309, -457.3332748922341, -457.3332767339016, -457.3332785569566, -457.33327837260543], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='e357b06'), trajectory_ids_=None, trajectory_records_=None), (165,): OptimizationRecord(id=21273635, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 21, 18, 7, 41, 835161), modified_on=datetime.datetime(2020, 7, 23, 14, 49, 33, 89692), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 165, 'indices': [3, 5, 8, 10]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14775167, final_molecule_id=14820118, energies=[-457.3352674174669, -457.33519952061465, -457.3351303954171, -457.33493226265244, -457.3349856081654, -457.3349986238291, -457.33500999042633, -457.33501015007926, -457.3350157669504, -457.335015857312], initial_molecule_=None, final_molecule_=Molecule(name='C9H8N2', formula='C9H8N2', hash='a952e04'), trajectory_ids_=None, trajectory_records_=None)}),
  Molecule with name '' with bad SMILES and Hill formula 'C9H8N2'),
 (TorsiondriveRecord(id=21272436, record_type='torsiondrive', is_service=True, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name=None, created_on=datetime.datetime(2020, 7, 21, 16, 42, 37, 215143), modified_on=datetime.datetime(2020, 7, 21, 16, 42, 37, 215141), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=TorsiondriveSpecification(program='torsiondrive', optimization_specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), keywords=TorsiondriveKeywords(dihedrals=[(4, 9, 10, 6)], grid_spacing=[15], dihedral_ranges=None, energy_decrease_thresh=None, energy_upper_limit=0.05)), initial_molecules_ids_=None, optimizations_=None, initial_molecules_=None, optimizations_cache_=None, minimum_optimizations_cache_={(180,): OptimizationRecord(id=21362742, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-jjtdg-509d5bb6-8f8e-468b-9d8d-68115016de98', created_on=datetime.datetime(2020, 7, 24, 0, 5, 54, 235908), modified_on=datetime.datetime(2020, 7, 24, 0, 10, 36, 801718), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 180, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14860453, final_molecule_id=14860868, energies=[-479.4190940614985, -479.41820687447, -479.4177676470154, -479.41719055029574, -479.4174910387704, -479.4176268805244, -479.4177735996344, -479.41773806307606, -479.41776228122626, -479.4177835145349, -479.41778158212105, -479.4177842590249], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='d4e7f24'), trajectory_ids_=None, trajectory_records_=None), (150,): OptimizationRecord(id=21362741, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-7p5dv-5ae6322b-91de-4f91-9e3f-b416db861c2c', created_on=datetime.datetime(2020, 7, 24, 0, 5, 53, 248206), modified_on=datetime.datetime(2020, 7, 24, 0, 15, 8, 25154), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 150, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14860453, final_molecule_id=14861079, energies=[-479.41909406012195, -479.4197532851113, -479.42014663826814, -479.4206426347601, -479.4206631062371, -479.4206537849353, -479.4206705505442, -479.42067008641925], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='0cd5c70'), trajectory_ids_=None, trajectory_records_=None), (120,): OptimizationRecord(id=21362739, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-9mvj8-f5d8fc73-79b0-4c8b-8928-11833f8eef19', created_on=datetime.datetime(2020, 7, 24, 0, 5, 51, 243551), modified_on=datetime.datetime(2020, 7, 24, 0, 16, 41, 439193), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 120, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14860465, final_molecule_id=14861104, energies=[-479.4208478164854, -479.4204808127479, -479.42018942174303, -479.4196537800807, -479.4196959109992, -479.41968311612595, -479.4197069170301, -479.41970487831054, -479.4197077727385, -479.41970769447806], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='296cdea'), trajectory_ids_=None, trajectory_records_=None), (165,): OptimizationRecord(id=21362051, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-6m9lv-e339e555-b921-4d75-a9a3-c8657df2535d', created_on=datetime.datetime(2020, 7, 23, 23, 53, 46, 162873), modified_on=datetime.datetime(2020, 7, 24, 0, 3, 3, 126035), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 165, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14859607, final_molecule_id=14860453, energies=[-479.41778240632357, -479.4177374540376, -479.41783667414074, -479.4183791510009, -479.41889350915767, -479.41893097636455, -479.4189882473666, -479.4190322639886, -479.41906226189246, -479.4190892555437, -479.419082061147, -479.4190938578163, -479.419094060264], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='ab41b15'), trajectory_ids_=None, trajectory_records_=None), (135,): OptimizationRecord(id=21362050, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-jjtdg-509d5bb6-8f8e-468b-9d8d-68115016de98', created_on=datetime.datetime(2020, 7, 23, 23, 53, 45, 177339), modified_on=datetime.datetime(2020, 7, 24, 0, 3, 30, 466342), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 135, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14859856, final_molecule_id=14860465, energies=[-479.41970751712546, -479.4202186356477, -479.42049539960107, -479.4208041417777, -479.42083495781327, -479.42083441480406, -479.4208459567979, -479.4208419835498, -479.420847951327, -479.42084781615415], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='d2bc1d9'), trajectory_ids_=None, trajectory_records_=None), (90,): OptimizationRecord(id=21361618, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-6xwx4-c26dde9e-3b7c-4792-bc12-072868f65fea', created_on=datetime.datetime(2020, 7, 23, 23, 43, 44, 131233), modified_on=datetime.datetime(2020, 7, 23, 23, 48, 57, 799597), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 90, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14855739, final_molecule_id=14859776, energies=[-479.41814654716467, -479.4175682578414, -479.4172885107326, -479.4169499600817, -479.4171114579872, -479.417391262548, -479.4173491703698, -479.41742269598825, -479.41742099688884, -479.4174235958508, -479.41742353683014], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='6236c3f'), trajectory_ids_=None, trajectory_records_=None), (-150,): OptimizationRecord(id=21361617, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-vjjmz-03b14032-1b7d-4f8e-9f28-650728e4edd5', created_on=datetime.datetime(2020, 7, 23, 23, 43, 43, 137861), modified_on=datetime.datetime(2020, 7, 23, 23, 50, 57, 520008), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -150, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14856458, final_molecule_id=14859836, energies=[-479.4190941369094, -479.41975236115076, -479.4201466910245, -479.4206435113994, -479.42066460315993, -479.42065609234527, -479.4206706353982, -479.42067026093906], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='c139d8e'), trajectory_ids_=None, trajectory_records_=None), (105,): OptimizationRecord(id=21357263, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 21, 38, 1, 464691), modified_on=datetime.datetime(2020, 7, 23, 21, 45, 18, 150030), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 105, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14855130, final_molecule_id=14855739, energies=[-479.4174222686144, -479.41738830632005, -479.4174437688477, -479.41768830499285, -479.41794829302654, -479.4178475578904, -479.4181328719021, -479.4180853405079, -479.4181243604108, -479.41814584301824, -479.41814687153607, -479.41814654434916], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='b2d82f6'), trajectory_ids_=None, trajectory_records_=None), (75,): OptimizationRecord(id=21357252, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 21, 38, 0, 473104), modified_on=datetime.datetime(2020, 7, 23, 23, 42, 17, 460933), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 75, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14855130, final_molecule_id=14859489, energies=[-479.41742226861396, -479.4173815659992, -479.41743789938874, -479.4176745852517, -479.4178709090043, -479.4181152554661, -479.4181301905339, -479.4181439238024, -479.41815139738094, -479.418148699745, -479.4181539281623, -479.4181537654157], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='f0505a0'), trajectory_ids_=None, trajectory_records_=None), (-135,): OptimizationRecord(id=21357251, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 21, 37, 59, 482246), modified_on=datetime.datetime(2020, 7, 23, 23, 33, 2, 931037), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -135, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14854485, final_molecule_id=14859130, energies=[-479.42066891673574, -479.4208866104237, -479.42088868617384, -479.42081295900437, -479.4208154786644, -479.42084593996026, -479.4208424461952, -479.420847850093, -479.4208478257721], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='25e8a6c'), trajectory_ids_=None, trajectory_records_=None), (-165,): OptimizationRecord(id=21357250, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 21, 37, 58, 490050), modified_on=datetime.datetime(2020, 7, 23, 22, 3, 37, 846814), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -165, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14854485, final_molecule_id=14856458, energies=[-479.42066891673505, -479.42011860350357, -479.41969682033965, -479.41900945188195, -479.41906377087554, -479.4190687126219, -479.4190901822304, -479.4190814521586, -479.41909418152477, -479.4190941401853], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='9faf1b1'), trajectory_ids_=None, trajectory_records_=None), (60,): OptimizationRecord(id=21355852, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-7p5dv-5ae6322b-91de-4f91-9e3f-b416db861c2c', created_on=datetime.datetime(2020, 7, 23, 21, 21, 44, 960371), modified_on=datetime.datetime(2020, 7, 23, 21, 36, 41, 744266), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 60, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14854040, final_molecule_id=14855335, energies=[-479.41815280891694, -479.4186090308901, -479.41894600295166, -479.41959451152843, -479.41965755829165, -479.41968033396756, -479.41969949114167, -479.41969455679896, -479.41970347982164, -479.41970311634515], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='34d49cf'), trajectory_ids_=None, trajectory_records_=None), (-120,): OptimizationRecord(id=21355851, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 21, 21, 43, 972294), modified_on=datetime.datetime(2020, 7, 23, 21, 27, 43, 220031), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -120, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14853856, final_molecule_id=14854628, energies=[-479.42084763448315, -479.4204792426278, -479.4201712796768, -479.4196575743645, -479.41969509636994, -479.4196898121743, -479.4197060375202, -479.41970205859025, -479.4197077779871, -479.41970775495287], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='87cc364'), trajectory_ids_=None, trajectory_records_=None), (45,): OptimizationRecord(id=21354815, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 21, 13, 55, 290661), modified_on=datetime.datetime(2020, 7, 23, 21, 20, 20, 467829), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 45, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14853068, final_molecule_id=14853910, energies=[-479.4197024363042, -479.42020739760073, -479.42047534143876, -479.4208104749244, -479.4208165208783, -479.42084720699364, -479.4208475368575], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='2d1eabe'), trajectory_ids_=None, trajectory_records_=None), (-105,): OptimizationRecord(id=21351206, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 20, 46, 1, 746247), modified_on=datetime.datetime(2020, 7, 23, 20, 58, 57, 672672), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -105, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14834259, final_molecule_id=14851359, energies=[-479.41742229309347, -479.4173844737052, -479.41743809745964, -479.4176824877419, -479.417943138237, -479.4179352734885, -479.4181191201207, -479.4180872805636, -479.41814490124744, -479.4181374588178, -479.4181425363226, -479.41814684976777], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='a0f403e'), trajectory_ids_=None, trajectory_records_=None), (30,): OptimizationRecord(id=21330995, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 17, 41, 52, 467414), modified_on=datetime.datetime(2020, 7, 23, 18, 13, 57, 58965), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 30, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14830311, final_molecule_id=14834267, energies=[-479.4191051578075, -479.4197665629636, -479.4201577803161, -479.42063475638815, -479.4206576975408, -479.42064934951, -479.4206678970814, -479.4206678467531], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='7e5c74d'), trajectory_ids_=None, trajectory_records_=None), (0,): OptimizationRecord(id=21330994, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 17, 41, 51, 474219), modified_on=datetime.datetime(2020, 7, 23, 18, 14, 59, 779607), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 0, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14830311, final_molecule_id=14834293, energies=[-479.41910515780717, -479.4182327622726, -479.41778095422313, -479.41726205242975, -479.41671848691016, -479.41766677858556, -479.4177142395148, -479.4177644942477, -479.41776307631346, -479.41778247313215, -479.417780119723, -479.41778433634965, -479.4177842609931], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='80711dd'), trajectory_ids_=None, trajectory_records_=None), (-60,): OptimizationRecord(id=21330993, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-dw6lx-78b7b826-e963-465a-b7ec-dc6a957b59e9', created_on=datetime.datetime(2020, 7, 23, 17, 41, 50, 487584), modified_on=datetime.datetime(2020, 7, 23, 20, 45, 55, 559332), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -60, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14830378, final_molecule_id=14849692, energies=[-479.41815335972547, -479.4186200751727, -479.41895917096394, -479.4195815499842, -479.419644933399, -479.4196772457549, -479.41967001715733, -479.4197031370713, -479.419703338636], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='b44c5a0'), trajectory_ids_=None, trajectory_records_=None), (-90,): OptimizationRecord(id=21330992, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 17, 41, 49, 512453), modified_on=datetime.datetime(2020, 7, 23, 18, 13, 57, 58965), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -90, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14830378, final_molecule_id=14834259, energies=[-479.41815335972484, -479.41758047486564, -479.4173048345727, -479.41697246223663, -479.4170919007233, -479.4173901334552, -479.4173456814997, -479.4174216853863, -479.4174222894613], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='f402eed'), trajectory_ids_=None, trajectory_records_=None), (15,): OptimizationRecord(id=21326554, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 16, 45, 56, 687101), modified_on=datetime.datetime(2020, 7, 23, 17, 33, 35, 776809), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 15, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14826776, final_molecule_id=14830311, energies=[-479.41778351130324, -479.4177595218951, -479.4178408307752, -479.4183612539856, -479.4185767064932, -479.419075335735, -479.4190463081457, -479.41910326387926, -479.41910022668475, -479.4191051878948, -479.4191051553131], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='77e6848'), trajectory_ids_=None, trajectory_records_=None), (-15,): OptimizationRecord(id=21326553, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 16, 45, 55, 683096), modified_on=datetime.datetime(2020, 7, 23, 17, 34, 38, 217998), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -15, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14826776, final_molecule_id=14830386, energies=[-479.41778351130324, -479.4177523228521, -479.4178238935717, -479.4183318624267, -479.41881164758115, -479.418837773244, -479.4188624306696, -479.4189029639514, -479.4189386320557, -479.4190336423817, -479.4190649644465, -479.41909439464285, -479.41910542639573, -479.419105752787], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='6d48d50'), trajectory_ids_=None, trajectory_records_=None), (-45,): OptimizationRecord(id=21326552, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-6m9lv-e339e555-b921-4d75-a9a3-c8657df2535d', created_on=datetime.datetime(2020, 7, 23, 16, 45, 54, 686558), modified_on=datetime.datetime(2020, 7, 23, 17, 41, 15, 634455), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -45, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14826561, final_molecule_id=14831033, energies=[-479.41970177540173, -479.42020442436683, -479.420469839656, -479.42079625860435, -479.42081850678227, -479.4208457568881, -479.42084092919396, -479.4208483672754, -479.4208482999627], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='7541c03'), trajectory_ids_=None, trajectory_records_=None), (-75,): OptimizationRecord(id=21326551, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 16, 45, 53, 677827), modified_on=datetime.datetime(2020, 7, 23, 17, 34, 38, 217998), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -75, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14826561, final_molecule_id=14830378, energies=[-479.4197017770972, -479.4189861804168, -479.4185734388826, -479.4180221074316, -479.4180766848725, -479.41815158728315, -479.41814930141373, -479.4181536854161, -479.4181533604631], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='9159c7b'), trajectory_ids_=None, trajectory_records_=None), (-30,): OptimizationRecord(id=21322425, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 15, 41, 47, 646200), modified_on=datetime.datetime(2020, 7, 23, 16, 43, 16, 830600), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -30, 'indices': [4, 9, 10, 6]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14822997, final_molecule_id=14826749, energies=[-479.42084828611974, -479.4209278375446, -479.4208834838318, -479.420612446029, -479.42065953897924, -479.42065053346386, -479.420667124315, -479.4206644868472, -479.4206680601845], initial_molecule_=None, final_molecule_=Molecule(name='C11H9N', formula='C11H9N', hash='490c979'), trajectory_ids_=None, trajectory_records_=None)}),
  Molecule with name '' with bad SMILES and Hill formula 'C11H9N'),
 (TorsiondriveRecord(id=21272437, record_type='torsiondrive', is_service=True, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name=None, created_on=datetime.datetime(2020, 7, 21, 16, 42, 37, 382412), modified_on=datetime.datetime(2020, 7, 21, 16, 42, 37, 382411), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=TorsiondriveSpecification(program='torsiondrive', optimization_specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), keywords=TorsiondriveKeywords(dihedrals=[(4, 8, 9, 11)], grid_spacing=[15], dihedral_ranges=None, energy_decrease_thresh=None, energy_upper_limit=0.05)), initial_molecules_ids_=None, optimizations_=None, initial_molecules_=None, optimizations_cache_=None, minimum_optimizations_cache_={(-75,): OptimizationRecord(id=21360793, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-px4t6-d74965fc-f27d-49b5-816b-2557c786d494', created_on=datetime.datetime(2020, 7, 23, 23, 21, 47, 592855), modified_on=datetime.datetime(2020, 7, 23, 23, 32, 58, 996287), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -75, 'indices': [4, 8, 9, 11]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14858631, final_molecule_id=14859122, energies=[-495.4246846332661, -495.4236435456565, -495.42308392813686, -495.4222071339098, -495.4223422500157, -495.422428213968, -495.42243072231173, -495.42248156133115, -495.4224822334489], initial_molecule_=None, final_molecule_=Molecule(name='C10H8N2', formula='C10H8N2', hash='8bccceb'), trajectory_ids_=None, trajectory_records_=None), (-60,): OptimizationRecord(id=21360607, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-6m9lv-e339e555-b921-4d75-a9a3-c8657df2535d', created_on=datetime.datetime(2020, 7, 23, 23, 13, 41, 280015), modified_on=datetime.datetime(2020, 7, 23, 23, 17, 49, 520502), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -60, 'indices': [4, 8, 9, 11]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14855833, final_molecule_id=14858631, energies=[-495.42248219111565, -495.42313641046917, -495.4236168816091, -495.4244137349483, -495.42457743717836, -495.42463557001093, -495.42467175629935, -495.42466462733177, -495.4246838547107, -495.4246825221447, -495.4246846224334, -495.42468462936506], initial_molecule_=None, final_molecule_=Molecule(name='C10H8N2', formula='C10H8N2', hash='0b58857'), trajectory_ids_=None, trajectory_records_=None), (-45,): OptimizationRecord(id=21357393, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 21, 39, 48, 286), modified_on=datetime.datetime(2020, 7, 23, 23, 13, 39, 113916), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -45, 'indices': [4, 8, 9, 11]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14855514, final_molecule_id=14858561, energies=[-495.42800698648546, -495.42762934692314, -495.4273524861792, -495.4267794949029, -495.42682644259236, -495.42682130850017, -495.4268313428608, -495.4268313393811], initial_molecule_=None, final_molecule_=Molecule(name='C10H8N2', formula='C10H8N2', hash='96e535e'), trajectory_ids_=None, trajectory_records_=None), (-105,): OptimizationRecord(id=21357391, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 21, 39, 46, 41503), modified_on=datetime.datetime(2020, 7, 23, 21, 48, 22, 311923), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -105, 'indices': [4, 8, 9, 11]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14855227, final_molecule_id=14855880, energies=[-495.42149696210544, -495.4214532151394, -495.4215124378295, -495.4218814641244, -495.42215100312984, -495.4223349562516, -495.4224361450952, -495.4224266966829, -495.42244402053666, -495.4224433542759], initial_molecule_=None, final_molecule_=Molecule(name='C10H8N2', formula='C10H8N2', hash='1c77e4a'), trajectory_ids_=None, trajectory_records_=None), (0,): OptimizationRecord(id=21356259, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 21, 25, 45, 458866), modified_on=datetime.datetime(2020, 7, 23, 21, 28, 46, 29437), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 0, 'indices': [4, 8, 9, 11]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14854207, final_molecule_id=14854700, energies=[-495.42803596107325, -495.4277719200179, -495.4276682899928, -495.4276239922897, -495.42766740125967, -495.4277511565197, -495.4277546248725, -495.4277586649392, -495.4277635445095, -495.4277638756905], initial_molecule_=None, final_molecule_=Molecule(name='C10H8N2', formula='C10H8N2', hash='eae3619'), trajectory_ids_=None, trajectory_records_=None), (-30,): OptimizationRecord(id=21356249, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-px4t6-d74965fc-f27d-49b5-816b-2557c786d494', created_on=datetime.datetime(2020, 7, 23, 21, 25, 44, 463376), modified_on=datetime.datetime(2020, 7, 23, 21, 39, 45, 850133), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -30, 'indices': [4, 8, 9, 11]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14854207, final_molecule_id=14855514, energies=[-495.42803596012055, -495.42803730484366, -495.42804676473685, -495.4279651623986, -495.4280004144274, -495.42799838059636, -495.42800685906, -495.42800698666696], initial_molecule_=None, final_molecule_=Molecule(name='C10H8N2', formula='C10H8N2', hash='6d9905f'), trajectory_ids_=None, trajectory_records_=None), (-90,): OptimizationRecord(id=21356248, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-ss24r-064d13fe-c114-4dfe-be72-006fee9eebc4', created_on=datetime.datetime(2020, 7, 23, 21, 25, 43, 468205), modified_on=datetime.datetime(2020, 7, 23, 21, 34, 31, 701805), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -90, 'indices': [4, 8, 9, 11]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14853984, final_molecule_id=14855227, energies=[-495.42244076329206, -495.42167803250777, -495.4213198066523, -495.42094658843644, -495.4212262806725, -495.42143428323675, -495.42141654038664, -495.42149391685575, -495.421489943906, -495.4214969164064, -495.42149696022295], initial_molecule_=None, final_molecule_=Molecule(name='C10H8N2', formula='C10H8N2', hash='e588988'), trajectory_ids_=None, trajectory_records_=None), (-120,): OptimizationRecord(id=21356247, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-hqlrn-84a73092-b606-46f5-9299-503bebaa626c', created_on=datetime.datetime(2020, 7, 23, 21, 25, 42, 475715), modified_on=datetime.datetime(2020, 7, 23, 21, 35, 11, 431306), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -120, 'indices': [4, 8, 9, 11]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14853984, final_molecule_id=14855274, energies=[-495.4224407569527, -495.42309133051907, -495.4235726172303, -495.42435918014945, -495.4245586541986, -495.4246015244936, -495.42463481301843, -495.42465661853726, -495.4246581725751, -495.42466936258046, -495.42466948352836], initial_molecule_=None, final_molecule_=Molecule(name='C10H8N2', formula='C10H8N2', hash='277cf79'), trajectory_ids_=None, trajectory_records_=None), (-15,): OptimizationRecord(id=21354202, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-7p5dv-5ae6322b-91de-4f91-9e3f-b416db861c2c', created_on=datetime.datetime(2020, 7, 23, 21, 10, 5, 180273), modified_on=datetime.datetime(2020, 7, 23, 21, 23, 4, 329533), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -15, 'indices': [4, 8, 9, 11]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14852537, final_molecule_id=14854207, energies=[-495.4277636679551, -495.42766491294987, -495.42769828802744, -495.4277285125169, -495.42792626646934, -495.428006858069, -495.42800332049046, -495.42803380641, -495.4280348863835, -495.42803596578096, -495.4280359596152], initial_molecule_=None, final_molecule_=Molecule(name='C10H8N2', formula='C10H8N2', hash='71f18ff'), trajectory_ids_=None, trajectory_records_=None), (-135,): OptimizationRecord(id=21354200, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='PacificResearchPlatform2-openff-qca2-6585bb9ff8-mr66l-afd2c202-ead4-40d9-ad50-b537fcdb8aa0', created_on=datetime.datetime(2020, 7, 23, 21, 10, 3, 231051), modified_on=datetime.datetime(2020, 7, 23, 21, 24, 46, 661441), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -135, 'indices': [4, 8, 9, 11]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14844023, final_molecule_id=14854405, energies=[-495.4246694184289, -495.4255387977453, -495.4260701423216, -495.42680336608225, -495.4268445190661, -495.42684058042516, -495.42685032311334, -495.42684919659246, -495.4268509924971, -495.42685085873296], initial_molecule_=None, final_molecule_=Molecule(name='C10H8N2', formula='C10H8N2', hash='378d3e2'), trajectory_ids_=None, trajectory_records_=None), (30,): OptimizationRecord(id=21342590, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 19, 27, 52, 560708), modified_on=datetime.datetime(2020, 7, 23, 19, 43, 45, 658162), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 30, 'indices': [4, 8, 9, 11]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14841761, final_molecule_id=14843836, energies=[-495.42803633758746, -495.428034608211, -495.42804062314707, -495.4279721016956, -495.42799912260205, -495.4279920335892, -495.4280071473065, -495.42800684882206], initial_molecule_=None, final_molecule_=Molecule(name='C10H8N2', formula='C10H8N2', hash='5ab62cb'), trajectory_ids_=None, trajectory_records_=None), (-150,): OptimizationRecord(id=21342587, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 19, 27, 49, 643307), modified_on=datetime.datetime(2020, 7, 23, 19, 44, 48, 202928), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -150, 'indices': [4, 8, 9, 11]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14841652, final_molecule_id=14844014, energies=[-495.4268502523565, -495.4274176050482, -495.4276938536267, -495.42796392062144, -495.4280028571311, -495.42800554740944, -495.42801487667737, -495.42801281836455, -495.4280157389066, -495.4280157899545], initial_molecule_=None, final_molecule_=Molecule(name='C10H8N2', formula='C10H8N2', hash='eb4ecac'), trajectory_ids_=None, trajectory_records_=None), (15,): OptimizationRecord(id=21340324, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 19, 9, 58, 963360), modified_on=datetime.datetime(2020, 7, 23, 19, 26, 40, 515880), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 15, 'indices': [4, 8, 9, 11]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14839536, final_molecule_id=14841761, energies=[-495.4280058232114, -495.42805741536694, -495.4280340579109, -495.4279674271365, -495.42801694809714, -495.4280228594082, -495.4280340891608, -495.4280312240841, -495.4280365447279, -495.42803633566655], initial_molecule_=None, final_molecule_=Molecule(name='C10H8N2', formula='C10H8N2', hash='85a8233'), trajectory_ids_=None, trajectory_records_=None), (-165,): OptimizationRecord(id=21340322, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 19, 9, 57, 23296), modified_on=datetime.datetime(2020, 7, 23, 19, 26, 40, 515880), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': -165, 'indices': [4, 8, 9, 11]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14839529, final_molecule_id=14841752, energies=[-495.42801550647766, -495.4280645409829, -495.428050128483, -495.42795639549126, -495.4280096483982, -495.42801606114966, -495.428030010397, -495.4280266635018, -495.4280314762539, -495.42803147111954], initial_molecule_=None, final_molecule_=Molecule(name='C10H8N2', formula='C10H8N2', hash='122d584'), trajectory_ids_=None, trajectory_records_=None), (165,): OptimizationRecord(id=21334663, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 18, 17, 48, 39483), modified_on=datetime.datetime(2020, 7, 23, 18, 44, 45, 459366), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 165, 'indices': [4, 8, 9, 11]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14834355, final_molecule_id=14837136, energies=[-495.4277637782737, -495.42766986899613, -495.4277117745455, -495.4277600526004, -495.42785912250423, -495.4278920730774, -495.427929754749, -495.4279832489888, -495.42801664189017, -495.42802097933406, -495.4280299955646, -495.4280288410865, -495.4280314421364, -495.42803146216863], initial_molecule_=None, final_molecule_=Molecule(name='C10H8N2', formula='C10H8N2', hash='8806afb'), trajectory_ids_=None, trajectory_records_=None), (75,): OptimizationRecord(id=21334662, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 18, 17, 47, 57301), modified_on=datetime.datetime(2020, 7, 23, 18, 44, 45, 459366), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 75, 'indices': [4, 8, 9, 11]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14834305, final_molecule_id=14837129, energies=[-495.42468397136815, -495.42364064324545, -495.4230693946295, -495.42236379071136, -495.4223757661975, -495.42247998161656, -495.422481135254, -495.4224832852074], initial_molecule_=None, final_molecule_=Molecule(name='C10H8N2', formula='C10H8N2', hash='8cc8744'), trajectory_ids_=None, trajectory_records_=None), (45,): OptimizationRecord(id=21334661, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 18, 17, 46, 80356), modified_on=datetime.datetime(2020, 7, 23, 18, 44, 45, 459366), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 45, 'indices': [4, 8, 9, 11]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14834305, final_molecule_id=14837122, energies=[-495.42468397136764, -495.42552662864415, -495.426049660189, -495.42680096037617, -495.4268239663496, -495.4268214474495, -495.42683133159625, -495.42683073795735], initial_molecule_=None, final_molecule_=Molecule(name='C10H8N2', formula='C10H8N2', hash='5bb5dae'), trajectory_ids_=None, trajectory_records_=None), (180,): OptimizationRecord(id=21330999, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 17, 41, 56, 491686), modified_on=datetime.datetime(2020, 7, 23, 18, 16, 3, 40993), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 180, 'indices': [4, 8, 9, 11]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14830899, final_molecule_id=14834355, energies=[-495.42803107684216, -495.4277633699205, -495.4276514842662, -495.427612731495, -495.4276323127158, -495.42775829337046, -495.4277510792925, -495.42776340089756, -495.42776377879426], initial_molecule_=None, final_molecule_=Molecule(name='C10H8N2', formula='C10H8N2', hash='496095d'), trajectory_ids_=None, trajectory_records_=None), (90,): OptimizationRecord(id=21330997, record_type='optimization', is_service=False, properties={}, extras={}, status=<RecordStatusEnum.complete: 'complete'>, manager_name='OpenFF_Mobley_HPC3-login-i16-2a7ea4e6-b57f-45c9-b36f-e412da66b800', created_on=datetime.datetime(2020, 7, 23, 17, 41, 54, 532787), modified_on=datetime.datetime(2020, 7, 23, 18, 16, 3, 40993), owner_user=None, owner_group=None, compute_history_=None, task_=None, service_=None, comments_=None, native_files_=None, specification=OptimizationSpecification(program='geometric', qc_specification=QCSpecification(program='psi4', driver=<SinglepointDriver.deferred: 'deferred'>, method='b3lyp-d3bj', basis='dzvp', keywords={'maxiter': 200, 'scf_properties': ['dipole', 'quadrupole', 'wiberg_lowdin_indices', 'mayer_indices']}, protocols=AtomicResultProtocols(wavefunction=<WavefunctionProtocolEnum.none: 'none'>, stdout=True, error_correction=ErrorCorrectionProtocol(default_policy=True, policies=None), native_files=<NativeFilesProtocolEnum.none: 'none'>)), keywords={'tmax': 0.3, 'check': 0, 'qccnv': True, 'reset': True, 'trust': 0.1, 'molcnv': False, 'enforce': 0.1, 'epsilon': 0, 'maxiter': 300, 'coordsys': 'tric', 'constraints': {'set': [{'type': 'dihedral', 'value': 90, 'indices': [4, 8, 9, 11]}]}, 'convergence_set': 'gau'}, protocols=OptimizationProtocols(trajectory=<TrajectoryProtocolEnum.all: 'all'>)), initial_molecule_id=14830871, final_molecule_id=14834338, energies=[-495.42248312780526, -495.42172099727554, -495.42136338266187, -495.42105069969665, -495.4213352855579, -495.4213178231956, -495.4214731790443, -495.42148317083905, -495.42149452634726, -495.42149626379313, -495.4214969928976], initial_molecule_=None, final_molecule_=Molecule(name='C10H8N2', formula='C10H8N2', hash='e2329f3'), trajectory_ids_=None, trajectory_records_=None), (6