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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 8b6ba267714b
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COc1ncc(cc1c2ncc(cc2[C@@H]3CC[C@H]4[C@H](OC(=O)N34)c5cc(cc(c5)C(F)(F)F)C(F)(F)F)C(F)(F)F)c6ccc(cc6C)C(=O)O	CHEMBL3657536
CN1CCC[C@@]1(O)c2cccnc2	CHEMBL3544720
CN1CCC[C@H]1c2ccc[n+](CCCC#Cc3cc(cc(c3)C#CCCC[n+]4cccc(c4)[C@@H]5CCCN5C)C#CCCC[n+]6cccc(c6)[C@@H]7CCCN7C)c2	CHEMBL1185865
CN1CCC[C@H]1c2ccc[n+](CCCCCC[n+]3cccc(c3)[C@@H]4CCCN4C)c2	CHEMBL1179917
CN1C[C@@H](Cc2ccccc2)C[C@H]1c3cccnc3	CHEMBL420694
CC1CCN(C)[C@@H]1c2cccnc2	CHEMBL119019
C[C@H]1C[C@H](N(C)C1)c2cccnc2	CHEMBL432837
CN1C(=O)CC[C@@]1(O)c2cccnc2	CHEMBL3544599
C[C@@H]1CC[C@H](N1C)c2cccnc2	CHEMBL118038
CO[C@H]1C[C@H](N(C)C1)c2cccnc2	CHEMBL326597
CCCC[C@@H]1CC[C@H](N1C)c2cccnc2	CHEMBL119574
CN1[C@@H](CCC1=O)c2ccc[n+]([O-])c2	CHEMBL3544793
CN1C[C@@H](CF)C[C@H]1c2cccnc2	CHEMBL116706
CN1C[C@@H](CO)C[C@H]1c2cccnc2	CHEMBL118849
CN1C[C@@H](O)C[C@H]1c2cccnc2	CHEMBL117339
CC[C@H]1C[C@H](N(C)C1)c2cccnc2	CHEMBL115793
CN1CCC[C@H]1c2cncc(c2)C#C	CHEMBL111659
CN1CCC(CO)[C@H]1c2cccnc2	CHEMBL325426
CN1CC[C@H]2CCc3ncccc3[C@@H]12	CHEMBL281410
CN1[C@@H](CC[C@@H]1c2ccccc2)c3cccnc3	CHEMBL443018
CN1CCC[C@H]1c2ccc[n+](CCCCc3ccc(CCCC[n+]4cccc(c4)[C@@H]5CCCN5C)cc3)c2	CHEMBL1182422
CN1CCC[C@H]1c2ccc[n+](c2)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O	CHEMBL3544704
CN1[C@@H](CCC1=O)c2ccc[n+](c2)C3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)C	CHEMBL3559662
CN1CCC[C@H]1c2ccc[n+](CCCCCc3ccccc3CCCCC[n+]4cccc(c4)[C@@H]5CCCN5C)c2	CHEMBL1182431
COC[C@H]1C[C@H](N(C)C1)c2cccnc2	CHEMBL119227
CN1C[C@H](CO)C[C@H]1c2cccnc2	CHEMBL434607
CCCCCCCCCC[n+]1cccc(c1)[C@@H]2CCCN2C	CHEMBL1179042
CCCCCCCCCC[n+]1cccc2c1CC[C@]3(C)CCN(C)[C@]23C	CHEMBL1183842
CN1[C@H](CC[C@H]1c2cccnc2)C#N	CHEMBL84210
CN1C[C@@H](C[C@H]1c2cccnc2)C#N	CHEMBL119352
COc1ccc(cc1c2ncc(cc2[C@@H]3CC[C@H]4[C@H](OC(=O)N34)c5cc(cc(c5)C(F)(F)F)C(F)(F)F)C(F)(F)F)c6c(C)cc(cc6C)C(=O)O	CHEMBL3657535
CCCCCCCC[n+]1cccc2[C@@H]3[C@@H](CCN3C)CCc12	CHEMBL1185506
CCCCCCCCCCCC[n+]1cccc2[C@@H]3[C@@H](CCN3C)CCc12	CHEMBL1179033
CN1[C@@H](CCC1=O)c2ccc[n+](C)c2	CHEMBL3544791
CN1CCC[C@H]1c2ccc[n+](CCCCCCCC[n+]3cccc(c3)[C@@H]4CCCN4C)c2	CHEMBL1179945
CN1[C@@H](CCC1=O)c2cccnc2	CHEMBL578211
CN1[C@@H](CC[C@H]1c2cccnc2)C#N	CHEMBL81899
C[C@H]1CC[C@H](N1C)c2cccnc2	CHEMBL116645
CC1CN(C)[C@@H](C1C)c2cccnc2	CHEMBL334222
CSC[C@H]1C[C@H](N(C)C1)c2cccnc2	CHEMBL119144
CN1CCC[C@H]1c2cccnc2	CHEMBL3
CN1CCC[C@H]1c2ccc[n+](CCCCCCCCCCCCCC[n+]3cccc(c3)[C@@H]4CCCN4C)c2	CHEMBL1179025
CN1CC[C@H]2CCc3c(ccc[n+]3[BH2-]C#N)[C@@H]12	CHEMBL277416
CN1CCC[C@H]1c2ccc[n+](CCCC#Cc3cccc(c3)C#CCCC[n+]4cccc(c4)[C@@H]5CCCN5C)c2	CHEMBL1185135
COCCOc1ncccc1[C@@H]2C(C(=O)C(C)C)C(=O)C(=O)N2c3ccc(cc3)c4ccsc4	CHEMBL3674905
C[N+]1([O-])CCC[C@H]1c2cccnc2	CHEMBL3544718
CN1C[C@H](C[C@H]1c2cccnc2)OS(=O)(=O)C	CHEMBL119186
CN1CCC[C@H]1c2ccc[n+](CCCC#Cc3ccccc3C#CCCC[n+]4cccc(c4)[C@@H]5CCCN5C)c2	CHEMBL1182432
CCCCCCCCCCC[n+]1cccc2[C@@H]3[C@@H](CCN3C)CCc12	CHEMBL1185915
CN1CCC[C@H]1c2ccc[n+](CCCCCc3cc(CCCCC[n+]4cccc(c4)[C@@H]5CCCN5C)cc(CCCCC[n+]6cccc(c6)[C@@H]7CCCN7C)c3)c2	CHEMBL1182507
CN1CCC[C@H]1c2ccc[n+](CCCCCCCCCCC[n+]3cccc(c3)[C@@H]4CCCN4C)c2	CHEMBL1179942
Cc1cncc(c1)[C@@H]2CCC[N+]2(C)[O-]	CHEMBL3640778
O=S(=O)(Nc1ncns1)c2ccc3c(cccc3c2)N4CCC[C@H]4c5cccnc5	CHEMBL3692144
CCCC[C@H]1CC[C@H](N1C)c2cccnc2	CHEMBL119581
CCCCCCCCCCCC[n+]1cccc(c1)[C@@H]2CCCN2C	CHEMBL1179038
CN1CCC[C@H]1c2ccc[n+]([BH2-]C#N)c2	CHEMBL282473
COCC1CCN(C)[C@@H]1c2cccnc2	CHEMBL119020
CN1CCC[C@H]1c2ccc[n+](CCCCCCCCCC[n+]3cccc(c3)[C@@H]4CCCN4C)c2	CHEMBL1179963
CCCCCCCCCC[n+]1cccc2[C@@H]3[C@@H](CCN3C)CCc12	CHEMBL1185930
CN1CCC(CF)[C@H]1c2cccnc2	CHEMBL119016
CN1[C@@H](CC[C@H]1c2cccnc2)c3ccccc3	CHEMBL116998
C[N@+]1(CC[N@+]2(C)CCC[C@@H]2c3cccnc3)CCC[C@H]1c4cccnc4	CHEMBL1358826
CN1[C@@H](C[C@@H](OC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)C1=O)c3cccnc3	CHEMBL3544598
CN1C[C@@H](CC#N)C[C@H]1c2cccnc2	CHEMBL334001
OCN1[C@@H](CCC1=O)c2cccnc2	CHEMBL3544621
COCCOc1ncccc1[C@@H]2C(C(=O)C(C)C)C(=O)C(=O)N2c3ccc(cc3)c4ccc(C)s4	CHEMBL3679738
Clc1ccc(OC[C@@H]2CN3C(=O)CC[C@@]3(O2)c4cccnc4)cc1	CHEMBL343159
CN1CCC[C@H]1c2ccc[n+](CCCCCCCCC[n+]3cccc(c3)[C@@H]4CCCN4C)c2	CHEMBL1183837
COc1ncc(cc1c2ncc(cc2[C@@H]3CC[C@H]4[C@H](OC(=O)N34)c5cc(cc(c5)C(F)(F)F)C(F)(F)F)C(F)(F)F)c6c(C)cc(cc6C)C(=O)O	CHEMBL3657533
CN1C[C@H](C[C@H]1c2cccnc2)OC(=O)C	CHEMBL419230
CCCCCCCCC[n+]1cccc2[C@@H]3[C@@H](CCN3C)CCc12	CHEMBL1179016
Clc1ccc(OC[C@H]2CN3C(=O)CC[C@@]3(O2)c4cccnc4)cc1	CHEMBL442410