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annotate test-data/out1.smi @ 2:f56492688f43 draft

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"planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
author bgruening
date Fri, 06 Sep 2019 07:50:15 -0400
parents 915e9be38994
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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2
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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1 CN1CCCC1c2ccc(Cl)cc2 CHEMBL279352
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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2 CCCC[C@H]1CC[C@H](N1C)c2cccnc2 CHEMBL119581
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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3 CN1CCCC1c2ccc(F)nc2 CHEMBL72470
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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4 C[C@H]1CC[C@H](N1C)c2cccnc2 CHEMBL116645
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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5 CCCC[C@@H]1CC[C@H](N1C)c2cccnc2 CHEMBL119574
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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6 CN1CCCC1c2ccc(CCc3ccc(Cl)cc3)nc2 CHEMBL189470
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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7 CN1CCC[C@H]1c2cccnc2 CHEMBL3
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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8 CN1CCCC1c2cncc(Cl)c2 CHEMBL61013
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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9 CCCCCc1ccc(cn1)C2CCCN2C CHEMBL103566
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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10 CN1CCCC1c2cccnc2 CHEMBL440464
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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11 CN1CCCC1c2ccc(nc2)c3ccccc3 CHEMBL350748
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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12 CN1CCCC1c2cnccc2N CHEMBL193763
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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13 C(N1CCCC1c2cccnc2)c3ccccc3 CHEMBL163552
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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14 COCC1CCN(C)[C@@H]1c2cccnc2 CHEMBL119020
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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15 CN1CCCC1c2ccc(C)nc2 CHEMBL294757
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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16 CN1CCCC1c2ccc(C)cc2 CHEMBL180376
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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17 CN1CCCC[C@H]1c2cccnc2 CHEMBL3640783
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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18 C[C@@H]1CC[C@H](N1C)c2cccnc2 CHEMBL118038
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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19 CN1CCC[C@H]1c2ccccn2 CHEMBL2068760
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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20 CN1CCCC1c2cccnc2C CHEMBL160034
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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21 CCc1ccc(cn1)C2CCCN2C CHEMBL103225
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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22 C[C@H]1C[C@H](N(C)C1)c2cccnc2 CHEMBL432837
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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23 CC[C@H]1C[C@H](N(C)C1)c2cccnc2 CHEMBL115793
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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24 CN1CCCC1c2ccccc2 CHEMBL367126
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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25 CN1CCCC1c2ccc(CCCc3ccccc3)nc2 CHEMBL361703
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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26 CC1CCN(C)[C@@H]1c2cccnc2 CHEMBL119019
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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27 CN1CCCC1c2ccc(Br)nc2 CHEMBL58231
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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28 CN1CCCCC1c2cccnc2 CHEMBL102246
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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29 CN1CCCC1c2ccc(CCc3ccccc3)nc2 CHEMBL190295
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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30 CN1CCC[C@H]1c2ccccc2 CHEMBL1199383
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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31 COc1cncc(c1)C2CCCN2C CHEMBL303530
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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32 COc1ccc(CCc2ccc(cn2)C3CCCN3C)cc1 CHEMBL190652
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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33 CN1CCCC1c2cncc(F)c2 CHEMBL62128
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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34 CN1CCCC1c2cncc(C)c2 CHEMBL364003
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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35 CN1CCC(CO)[C@H]1c2cccnc2 CHEMBL325426
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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36 CCN1CCCC1c2cccnc2 CHEMBL163042
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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37 COc1ccncc1C2CCCN2C CHEMBL370168
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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38 CCc1cncc(c1)C2CCCN2C CHEMBL111526
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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39 CN1CCC[C@@H]1c2cccnc2 CHEMBL9732
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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40 CN1CCC(CF)[C@H]1c2cccnc2 CHEMBL119016
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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41 CN1CCCC1c2ccc(Cl)nc2 CHEMBL70050
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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42 CN1CCCC1c2cncc(Br)c2 CHEMBL61772
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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43 CN1CCCC1c2ccc(\C=C\c3ccccc3)nc2 CHEMBL190678
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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44 CCCc1cncc(c1)C2CCCN2C CHEMBL382287
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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45 CN1CCCC1c2cnc3ccccc3c2 CHEMBL161944
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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46 CCCc1ccc(cn1)C2CCCN2C CHEMBL103537
f56492688f43 "planemo upload for repository https://github.com/chembl/chembl_webresource_client commit d7fca21744d3c87cf173c1539c069a5c720084f3"
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47 CCCCc1ccc(cn1)C2CCCN2C CHEMBL320023