Mercurial > repos > recetox > rem_complex
view test-data/sample_output.smi @ 4:60db8070a5c3 draft default tip
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/rem_complex commit d42dca433f84f2540d0901a8add71d01637f5179
author | recetox |
---|---|
date | Tue, 11 Jun 2024 09:10:34 +0000 |
parents | a0e07a0bc047 |
children |
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C[C@@]1(CO)C[C@@H]1C#Cc1ccccc1 C=C(C)[C@@H]1CC[C@]2(COC(=O)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12 Cc1ccc(SCCNCC(=O)O)cc1 COc1ccc(NC2=NC(C)(CO)CS2)cc1 O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)C(=NN1c1ccccc1)C(F)(F)F CC1=CC[C@@H](C(C)C)[C@@H]2C=C(CO)CC[C@H]12 COc1ccc(CCN(CC(=O)O)P(=O)(OC(C)C)OC(C)C)cc1 CC[C@]12CCCN([C@@H](C)c3ccccc3)[C@H]1CC(=O)CC2 CC(=O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](OC(=O)C)C[C@@]1(C)OC(=O)C C=C(C(=O)C)[C@@]1(C(C)(C)C)C=C[C@H](C)O1 C[C@@H]1[C@@H](OCc2ccccc2)C[C@H]2O[C@@H]1CC2=O