Mercurial > repos > bgruening > chembl

view test-data/out1.smi @ 9:a446ea7e2bc1 draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 7ca965e469cce3951d22c854dc7b6cb2a3a4f9f6"
author bgruening
date Tue, 23 Mar 2021 13:48:35 +0000
parents f56492688f43
children
line wrap: on
line source

CN1CCCC1c2ccc(Cl)cc2	CHEMBL279352
CCCC[C@H]1CC[C@H](N1C)c2cccnc2	CHEMBL119581
CN1CCCC1c2ccc(F)nc2	CHEMBL72470
C[C@H]1CC[C@H](N1C)c2cccnc2	CHEMBL116645
CCCC[C@@H]1CC[C@H](N1C)c2cccnc2	CHEMBL119574
CN1CCCC1c2ccc(CCc3ccc(Cl)cc3)nc2	CHEMBL189470
CN1CCC[C@H]1c2cccnc2	CHEMBL3
CN1CCCC1c2cncc(Cl)c2	CHEMBL61013
CCCCCc1ccc(cn1)C2CCCN2C	CHEMBL103566
CN1CCCC1c2cccnc2	CHEMBL440464
CN1CCCC1c2ccc(nc2)c3ccccc3	CHEMBL350748
CN1CCCC1c2cnccc2N	CHEMBL193763
C(N1CCCC1c2cccnc2)c3ccccc3	CHEMBL163552
COCC1CCN(C)[C@@H]1c2cccnc2	CHEMBL119020
CN1CCCC1c2ccc(C)nc2	CHEMBL294757
CN1CCCC1c2ccc(C)cc2	CHEMBL180376
CN1CCCC[C@H]1c2cccnc2	CHEMBL3640783
C[C@@H]1CC[C@H](N1C)c2cccnc2	CHEMBL118038
CN1CCC[C@H]1c2ccccn2	CHEMBL2068760
CN1CCCC1c2cccnc2C	CHEMBL160034
CCc1ccc(cn1)C2CCCN2C	CHEMBL103225
C[C@H]1C[C@H](N(C)C1)c2cccnc2	CHEMBL432837
CC[C@H]1C[C@H](N(C)C1)c2cccnc2	CHEMBL115793
CN1CCCC1c2ccccc2	CHEMBL367126
CN1CCCC1c2ccc(CCCc3ccccc3)nc2	CHEMBL361703
CC1CCN(C)[C@@H]1c2cccnc2	CHEMBL119019
CN1CCCC1c2ccc(Br)nc2	CHEMBL58231
CN1CCCCC1c2cccnc2	CHEMBL102246
CN1CCCC1c2ccc(CCc3ccccc3)nc2	CHEMBL190295
CN1CCC[C@H]1c2ccccc2	CHEMBL1199383
COc1cncc(c1)C2CCCN2C	CHEMBL303530
COc1ccc(CCc2ccc(cn2)C3CCCN3C)cc1	CHEMBL190652
CN1CCCC1c2cncc(F)c2	CHEMBL62128
CN1CCCC1c2cncc(C)c2	CHEMBL364003
CN1CCC(CO)[C@H]1c2cccnc2	CHEMBL325426
CCN1CCCC1c2cccnc2	CHEMBL163042
COc1ccncc1C2CCCN2C	CHEMBL370168
CCc1cncc(c1)C2CCCN2C	CHEMBL111526
CN1CCC[C@@H]1c2cccnc2	CHEMBL9732
CN1CCC(CF)[C@H]1c2cccnc2	CHEMBL119016
CN1CCCC1c2ccc(Cl)nc2	CHEMBL70050
CN1CCCC1c2cncc(Br)c2	CHEMBL61772
CN1CCCC1c2ccc(\C=C\c3ccccc3)nc2	CHEMBL190678
CCCc1cncc(c1)C2CCCN2C	CHEMBL382287
CN1CCCC1c2cnc3ccccc3c2	CHEMBL161944
CCCc1ccc(cn1)C2CCCN2C	CHEMBL103537
CCCCc1ccc(cn1)C2CCCN2C	CHEMBL320023