bioactivitypredictor / example_acetylcholinesterase.txt
shaktidharreddy08
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CCOc1nn(-c2cccc(OCc3ccccc3)c2)c(=O)o1 CHEMBL133897
O=C(N1CCCCC1)n1nc(-c2ccc(Cl)cc2)nc1SCC1CC1 CHEMBL336398
CN(C(=O)n1nc(-c2ccc(Cl)cc2)nc1SCC(F)(F)F)c1ccccc1 CHEMBL131588
O=C(N1CCCCC1)n1nc(-c2ccc(Cl)cc2)nc1SCC(F)(F)F CHEMBL130628
CSc1nc(-c2ccc(OC(F)(F)F)cc2)nn1C(=O)N(C)C CHEMBL130478