diff --git "a/AggregatorAdvisor/test.csv" "b/AggregatorAdvisor/test.csv"
new file mode 100644--- /dev/null
+++ "b/AggregatorAdvisor/test.csv"
@@ -0,0 +1,2530 @@
+SMILES,substance_id,aggref_index,logP,reference
+CCn1nc(C)cc1Nc1ccccc1,MLS000564355-01,18,2.955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)n(-c2nc(Nc3ccccc3)nc(-n3nc(C)cc3C)n2)n1,MLS000029076-01,18,3.2203,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2=NN3C(C(=O)c4ccccc4)Oc4ccccc4C3C2)cc1,MLS000563910-01,18,4.7475,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)C2Oc3ccccc3C3CC(c4ccc(C)cc4)=NN23)cc1,MLS000561228-01,18,5.0559,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cnc(NC(=O)c3cccc(Br)c3)s2)c(C)c1,MLS000562712-01,18,5.4417,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSCCC(NC(=O)c1ccccc1)C(=O)NN=C(C)c1ccccc1,MLS000562403-01,18,3.0785,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(S)nc2c1C1(CCCC1)Cc1ccccc1-2,MLS000562302-01,18,3.3824,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1[nH]nc2c1C1(CCCCC1)Cc1ccccc1-2,MLS000080841-01,18,3.4169,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)N1c2ccc3ccccc3c2C2C=CCC2C1c1ccc(Br)cc1,MLS000561712-01,18,6.3698,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)N1c2ccc(Cl)cc2C2C=CCC2C1c1cccc2ccccc12,MLS000560837-01,18,6.2607,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-],MLS000561409-01,18,4.0495,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN1C/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1,MLS000561315-01,18,4.2647,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)C2CCCCC2)ccc1NC(=O)c1ccccc1Cl,MLS000561281-01,18,5.4195,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1N=C(NNc2ccccc2)S/C1=C\c1ccccc1,MLS000560988-01,18,3.2736,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1N=C(Nc2ccccc2)S/C1=C\c1cccn1-c1ccccc1,MLS000537460-01,18,4.5597,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(NC(=O)CSc2[nH]c(-c3ccccc3F)nc3ncnc2-3)cc1,MLS000559724-01,18,4.9648,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(c2nnnn2C2CCCC2)N2c3ccccc3CC2C)cc1,MLS000559658-01,18,5.059,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=NOC3(CC(=O)N(c4ccc(F)cc4)C3=O)C2)c(OC)c1,MLS000559038-01,18,2.6696,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=NOC3(CC(=O)N(c4ccc5ccccc5c4)C3=O)C2)c(OC)c1,MLS000559036-01,18,3.6837,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc2c(c1)C1=C(C(c3ccncc3)O2)C(c2ccc(Br)cc2)n2ncnc2N1,MLS000558593-01,18,5.6489,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2Oc3ccccc3C3=C2C(c2cccs2)n2ncnc2N3)cc1,MLS000556857-01,18,5.2079,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)N=C3C2=C(O)c2ccccc23)cc1,MLS000558366-01,18,6.3224,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1ccc(C2C3=C(CC(C)(C)CC3=O)N=C3C2=C(O)c2ccccc23)cc1,MLS000551880-01,18,6.5416,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1n[nH]c(SCc2cccc3ccccc23)n1,MLS000557929-01,18,3.2086,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1n[nH]c(SCc2ccc(Cl)cc2Cl)n1,MLS000556948-01,18,3.3622,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCOCC1CC(CC(C)=NNc2nc(-c3ccccc3)cs2)C(=O)O1,MLS000557649-01,18,5.1265,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(CC1CC(C)(C)OC1=O)=NNc1nc(-c2ccccc2)cs1,MLS000331740-01,18,4.3297,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCC(=O)N(O)C1CC(=O)N(c2ccc(C)cc2)C1=O,MLS000557364-01,18,2.8151,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCC(=O)N(O)C1CC(=O)N(Cc2ccccc2)C1=O,MLS000040398-01,18,2.5023,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(C2=Nc3c(c(=O)[nH]c(=O)n3Cc3ccco3)C(C(F)(F)F)(C(F)(F)F)N2)cc1,MLS000557026-01,18,3.051,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1[nH]c(=O)n(Cc2ccco2)c2c1C(C(F)(F)F)(C(F)(F)F)NC(c1ccc(F)cc1)=N2,MLS000537249-01,18,3.3184,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC2=NC(=O)S/C2=C\c2ccc(N(C)C)cc2)cc1,MLS000557021-01,18,4.8696,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC2=NC(=O)S/C2=C\c2ccc(N(C)C)cc2)cc1,MLS000556847-01,18,4.4795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4C3[C@]23N=C(c2ccccc2)OC3=O)cc1,MLS000556910-01,18,4.9094,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2)[C@@]2(N=C(c3ccccc3)OC2=O)C2c3ccccc3C=NN21,MLS000556909-01,18,4.9008,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)N(Cc2ccco2)Cc2cc3cc(C)cc(C)c3nc2Cl)cc1,MLS000556800-01,18,6.6408,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2cc(CN(Cc3ccco3)C(=O)Nc3cccc(C#N)c3)c(Cl)nc12,MLS000550816-01,18,5.8956,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(NC(=O)c2ccccc2C)c(OCC)cc1NC(=O)C1=Cc2ccccc2OC1,MLS000556695-01,18,5.4592,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nsc3c(SCC(=O)Nc4cc(C)ccc4C)ncnc23)cc1,MLS000555791-01,18,5.1095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ncnc2c(-c3ccc(Cl)cc3)nsc12)c1ccccc1,MLS000555409-01,18,5.3817,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(Cn2nnnc2C(c2ccc(Cl)cc2)N2CC=C(c3ccc(F)cc3)CC2)cc1,MLS000555322-01,18,5.5317,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(C)c1nc(-c2ccc(F)cc2)cs1,MLS000555320-01,18,5.3733,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(SC3=NCCS3)n2)cc1,MLS000555004-01,18,4.1794,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1Nc1nc(Nc2ccccc2C)nc(SC2=NCCS2)n1,MLS000525870-01,18,5.1705,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1,MLS000554660-01,18,3.4326,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1,MLS000554659-01,18,3.3235,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1,MLS000554619-01,18,2.2456,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(F)cc1,MLS000554002-01,18,1.986,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cccc(C=NN=C2c3ccccc3-c3ccccc32)c1O,MLS000554553-01,18,4.1523,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NS(=O)(=O)c1ccc(C)cc1,MLS000553928-01,18,4.4103,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)CNC(c1ccccc1Cl)c1cc(Br)ccc1NS(=O)(=O)c1ccc(C)cc1,MLS000553925-01,18,5.0637,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3sc4ccccc4c3Cl)cc2)ncn1,MLS000553910-01,18,4.2809,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1oc2cc(O)ccc2cc1-c1nc2c(s1)CCc1ccccc1-2,MLS000553906-01,18,4.3877,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(O)cc1,MLS000553883-01,18,5.3523,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(O)c(C)c1,MLS000553467-01,18,5.6607,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nnc1-c1cc2ccccc2cc1O,MLS000553503-01,18,5.8965,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNc1nc(-c2ccc(C)cc2C)cs1)c1cc2ccccc2oc1=O,MLS000553421-01,18,5.3694,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NNc1ccc([N+](=O)[O-])cc1)C1C2CCCCC21,MLS000553026-01,18,2.4741,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(N2CCN(C(=O)c3ccccc3Cl)CC2)nc(-c2ccccc2)c2c1CCCC2,MLS000552550-01,18,5.1149,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Sc1nnc2nc3c(c(O)n12)C1(CCCC1)Cc1ccccc1-3,MLS000551684-01,18,4.3653,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nnc2nc3c(c(O)n12)C1(CCCC1)Cc1ccccc1-3,MLS000551683-01,18,3.9768,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cnn(-c2nc(O)c3c4c(sc3n2)CCCC4)c1N,MLS000551553-01,18,1.9153,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cnn(-c2nc(SCc3ccccc3)nc3sc4c(c23)CCCC4)c1N,MLS000081581-01,18,4.502,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c2c1C(c1ccc(O)c(O)c1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21,MLS000551460-01,18,6.3872,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)C3c2ccc(O)c(O)c2)cc1,MLS000551449-01,18,6.6956,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1c2ccccc2nc2ccccc12,MLS000551242-01,18,3.0936,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)c2ccccc2)cc1COc1ccccc1F,MLS000551143-01,18,5.3094,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=O)cc1COc1ccc(F)cc1F,MLS000324558-01,18,3.3649,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1Nc2ccccc2C1=Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2,MLS000550523-01,18,4.9521,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1Nc2ccccc2C1=Nc1sc2c(c1C(=O)NCCc1ccccc1)CCCC2,MLS000519528-01,18,4.6723,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1cc(C(=O)OC)c(NC(=O)c2cc(C)on2)s1,MLS000549524-01,18,3.0359,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(Cc2cccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)c(C)c1Br,MLS000549501-01,18,5.0093,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=NCc2ccc3c(c2)OCO3)SC2CC(=O)N(c3ccc(OCC)cc3)C2=O)cc1,MLS000549480-01,18,5.2461,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(c2cc(-c3cccc4ccccc34)[nH]n2)CC1,MLS000549332-01,18,5.817,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)N2CCC(c3cc(-c4cccc5ccccc45)[nH]n3)CC2)cc1,MLS000549331-01,18,4.8068,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(CCOc1ccc(-c2ccn(S(=O)(=O)c3c(Cl)cccc3Cl)n2)cc1)c1ccccn1,MLS000549254-01,18,5.0041,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(S(=O)(=O)n2ccc(-c3ccc(OCCN(C)c4ccccn4)cc3)n2)c(C)c1,MLS000331310-01,18,4.6226,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(S(=O)(=O)c2ccc(Br)cc2)n1,MLS000549243-01,18,5.8287,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(S(=O)(=O)c2ccc(Cl)cc2)n1,MLS000331285-01,18,5.7196,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2c(n1)sc1c(O)nc(SCc3ccccc3)nc12,MLS000549234-01,18,4.8542,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1cc(O)c2sc(Nc3cccc(C(F)(F)F)c3)nc2n1,MLS000548708-01,18,3.8649,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1cc(O)c2sc(Nc3ccc(F)cc3)nc2n1,MLS000548646-01,18,2.9852,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C(=O)c2ccc(-c3ccccc3)cc2-c2ccccc21,MLS000548593-01,18,4.3996,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2,254021,18,2.3148,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cc2nnc3n(-c4cccc(C)c4)nc(C(=O)c4ccccc4)n3c2=O)cc1,MLS000547973-01,18,3.7138,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nc(C(=O)c3ccccc3)n3c(=O)cc(-c4ccccc4)nc23)cc1,MLS000325031-01,18,4.0866,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1cc(-c2nnc(-c3ccc(Br)cc3)o2)ccc1Br,MLS000547521-01,18,4.9591,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1cc(-c2nnc(-c3ccc(Br)cc3)o2)ccc1Br)N1CCCCCC1,MLS000547513-01,18,5.4933,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)S(=O)(=O)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1N,MLS000547020-01,18,3.2041,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(CC(=O)Nc2ccc(Cl)cc2F)NC(=O)C(F)(F)F)cc1,MLS000546917-01,18,4.2361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2nc3c(s2)CCC3)c(C)c1,MLS000546666-01,18,3.9922,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(c1ccc(Cl)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1,MLS000546644-01,18,7.6161,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nc2ccccc2cc1/C=C(\C#N)c1ccc(Cl)cc1Cl,MLS000546551-01,18,6.3277,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nc2ccccc2cc1/C=C(\C#N)c1cccc(Cl)c1,MLS000546547-01,18,5.6743,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(C(=O)c2c[nH]c(C(=O)NCc3cccs3)c2)cc1,MLS000546510-01,18,4.5347,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc2[nH]c(-c3ccccc3)cc2c1,MLS000546456-01,18,4.4883,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(-c2cc3ccccc3[nH]2)cc1,MLS000325254-01,18,4.4883,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(Cl)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1,MLS000546244-01,18,3.0812,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(Cl)c2)c2cccc3cccnc23)cc1,MLS000546170-01,18,4.5422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)Nc1ccc(Br)cn1)c1cncc(Br)c1,MLS000546119-01,18,3.1284,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccc(F)cc1,MLS000545696-01,18,5.9108,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCC(=O)OCC(=O)c1ccc(Br)cc1)Nc1ccc(Br)c2cccnc12,MLS000545145-01,18,4.9046,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(CN2N=Nc3ccccc3S2(=O)=O)cc1,MLS000544980-01,18,4.1873,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S1(=O)c2ccccc2N=NN1Cc1ccc(Cl)c(Cl)c1,3603820,18,4.1966,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc(-c2nnc(-c3ccccc3)c(N3CCSCC3)n2)cc1,MLS000544701-01,18,4.5213,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(-c2nnc(-c3ccccc3)nc2N2CCSCC2)cc1,MLS000324922-01,18,4.4122,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC(=O)Oc1ccccc1C1SCc2cc(C)c(C)cc2CS1,MLS000544691-01,18,6.5778,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC(=O)Oc1ccccc1C1SCc2cc(C)c(C)cc2CS1,MLS000544690-01,18,6.1877,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1ccc2cccc(OCc3ccccc3)c2n1)c1ccc(Cl)cc1,MLS000544500-01,18,5.2311,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CC/C(=C\c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc2c(c1)OCO2,MLS000544260-01,18,4.61,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1sc(N(C(=O)Cc2ccccc2)c2cccc(F)c2)nc1-c1ccc(C)cc1,MLS000544116-01,18,6.7274,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1sc(N(C(=O)Cc2ccccc2)c2ccccc2)nc1-c1ccccc1,MLS000324970-01,18,6.2799,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CNC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C,MLS000543693-01,18,4.7863,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(C(N)=O)c(NC(=O)Nc2ccccc2Cl)n1,MLS000543098-01,18,3.0947,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(C#N)c(Nc2ccccc2Cl)n1,MLS000078723-01,18,3.9671,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)c(C=NNc2ccccc2Cl)c(=O)o1,MLS000543073-01,18,2.7532,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)c(C=NNc2ccc(Cl)cc2)c(=O)o1,MLS000326112-01,18,2.7532,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CSc2nnc(Cc3sc(-c4ccccc4)nc3-c3ccccc3)o2)cc1,MLS000541533-01,18,6.7518,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(CSc2nnc(Cc3sc(-c4ccccc4)nc3-c3ccccc3)o2)cc1,MLS000540520-01,18,6.8823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(-c2ccccc2)sc1-c1nc(-c2cccs2)ncc1S(=O)(=O)c1ccccc1,MLS000541520-01,18,6.1368,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(C)c2)cc1,MLS000541514-01,18,4.9859,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(Cl)c2)cc1,MLS000541512-01,18,5.3309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=Nc1ccccc1,MLS000541165-01,18,5.1803,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(OCC)c1,MLS000541159-01,18,5.3957,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1,MLS000324726-01,18,4.997,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(S(=O)(=O)Nc5ccccc5C)cc4)c3n2)cc1,MLS000541106-01,18,6.0038,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1cc(C=NNC(=O)Cc2nc3ccccc3[nH]2)cc(C(C)(C)C)c1O,MLS000541090-01,18,4.5563,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)NN=Cc2cc(Cl)ccc2O)o1,MLS000541061-01,18,3.5173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)NN=Cc2cccc(Br)c2)o1,MLS000325386-01,18,3.9208,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(SCc2ccc(Cl)cc2)sc(C(=O)c2ccccc2)c1N,MLS000540905-01,18,5.3787,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Oc2sc(C(=O)c3ccccc3)c(N)c2C#N)c1C,MLS000326917-01,18,4.8421,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(Br)o3)cc2)c1,MLS000540802-01,18,4.5865,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cc2c(O)nc(Cc3ccccc3)nc2s1,MLS000540721-01,18,3.5501,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1nc(Cc2ccccc2)nc2c1oc1ccccc12,MLS000078777-01,18,3.6724,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1CC=NOCc1ccc(Cl)cc1Cl,MLS000540525-01,18,4.7306,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1cc(-c2ccccc2)n(Cc2ccccc2Cl)c(=O)c1C#N,MLS000540376-01,18,4.8106,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1cc(-c2ccccc2)n(Cc2ccc(Cl)cc2)c(=O)c1C#N,MLS000540374-01,18,4.8106,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)nc(O)c1sc3ccccc3c12,MLS000540155-01,18,4.3169,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2sc3c(O)nc4ccccc4c3c2c1,MLS000540154-01,18,4.3169,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Cl)ccc1N=c1ssnc1Cl,MLS000539990-01,18,4.0522,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(N=c2ssnc2Cl)c1,MLS000519624-01,18,3.1076,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(NC=NOCc2ccc(Cl)cc2)sc2c1CCN(c1ncc(C(F)(F)F)cc1Cl)C2,MLS000539879-01,18,6.39,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(N)sc2c1CCN(c1ncc(C(F)(F)F)cc1Cl)C2,MLS000539877-01,18,3.7468,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1C(=O)NN=C(N)COc1cccc(C(F)(F)F)c1,MLS000539579-01,18,4.6627,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(-c2ccccc2)cnn1-c1ccc(Cc2ccc(Cl)cc2Cl)nn1,MLS000539541-01,18,4.8091,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(-c2ccc(F)cc2)cnn1-c1ccc(Cc2ccc(Cl)cc2Cl)nn1,MLS000539540-01,18,4.9482,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nc2nccc(-c3ccc(Cl)cc3)n2n1,MLS000539472-01,18,3.1666,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc2nccc(-c3ccc(Cl)cc3)n2n1,660910,18,2.0269,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1(Cc2ccccc2Cl)c2ccccc2C=CN1C(=O)c1ccccc1,MLS000539172-01,18,5.4283,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1(Cc2ccc(Cl)cc2)c2ccccc2C=CN1C(=O)c1ccccc1,MLS000537440-01,18,5.4283,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N=C2C(=Nc3ccc(OC)cc3)N(c3ccc(OC)cc3)C(=S)N2C)cc1,MLS000539165-01,18,5.2095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N=C2C(=Nc3ccc(OC)cc3)N(c3ccc(OC)cc3)C(=S)N2c2ccccc2)cc1,MLS000539155-01,18,6.7843,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)o1,MLS000538967-01,18,3.8783,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1nc2scc(-c3ccc(Cl)cc3)c2c(=O)o1,MLS000534785-01,18,4.8674,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ncsc1C(=O)N1N=C2/C(=C/c3ccccc3)CCCC2C1c1ccccc1,MLS000538705-01,18,5.8883,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C2\CCCC3C2=NN(C(=O)c2scnc2C)C3c2ccc(OC)cc2)cc1,MLS000538638-01,18,5.9055,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(O)c(-c2cccs2)oc2ccc(Cl)cc12,MLS000538514-01,18,3.8805,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1ccc([N+](=O)[O-])cc1,MLS000538477-01,18,3.0908,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cc(Oc2ccc3ccccc3c2)c(-n2nnc3ccccc32)cc1C#N,MLS000538293-01,18,5.1094,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cc(Oc2cccc3cccnc23)c(-n2nnc3ccccc32)cc1C#N,MLS000037251-01,18,4.5044,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1,MLS000537762-01,18,2.67,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2ccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)cc1,MLS000535560-01,18,3.839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)C(=O)c1sc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C#N)c1C,MLS000537534-01,18,3.8791,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)Cc1ccc(OC)c(OC)c1,MLS000537526-01,18,5.1626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(-c2cccc3ccccc23)csc1NC(=O)Cc1ccc(OC)c(OC)c1,MLS000324511-01,18,5.5533,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NNc1cccc(Cl)n1)Nc1cccc(Cl)c1,MLS000537443-01,18,3.537,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(N=C1N=C2C=CC(Cl)=CN2Cc2ccccc21)c1cccs1,MLS000536801-01,18,4.1992,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(N=C1N=C2C=CC(Br)=CN2Cc2ccccc21)c1cccs1,MLS000536791-01,18,4.3553,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccccc1N=C(S)NN=Cc1ccccc1Br,MLS000536634-01,18,4.1292,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(N=C(S)NN=Cc2ccc(F)c(F)c2)c(F)c1,MLS000536532-01,18,3.784,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(Sc1nc2ccc(N)cc2s1)C(=O)Nc1nccs1,MLS000536353-01,18,3.8444,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C2=C(N=C(S)NC2c2ccc(Cl)cc2)NC(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1,MLS000536083-01,18,6.1237,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C2NC(S)=NC3=C2C(=O)N(c2ccccc2OC)C(c2ccc(CC)cc2)N3)cc1,MLS000536023-01,18,5.2969,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccsc1C(=O)N(c1nc2ccccc2s1)c1c(C)cccc1C,MLS000536041-01,18,6.2616,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(S)=Nc2ccc(N)c([N+](=O)[O-])c2)cc1,MLS000535989-01,18,3.215,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1,MLS000535966-01,18,4.3258,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1N1C(=O)/C(=C\c2sccc2C)N=C1SCC(=O)NC1CC1,MLS000535923-01,18,4.474,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F)NC1CC1,MLS000335349-01,18,4.888,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)NC(=O)NC(=O)COC(=O)CCOc1ccccc1,MLS000535914-01,18,1.2329,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1,MLS000535897-01,18,3.0435,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N,MLS000535593-01,18,3.0659,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCSc1nc(N)c(C(=O)Nc2ccccc2OC)cc1C(=O)Nc1ccccc1,MLS000534960-01,18,4.4551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(NC(=O)C(=O)N2CCCC2)cc1,MLS000535309-01,18,1.0341,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1c2ccccc2Oc2ccccc21)N1CCN(c2ccc(Cl)cc2)CC1,MLS000535127-01,18,4.9264,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C1c2ccccc2Oc2ccccc21)N1CCN(c2ccccc2)CC1,MLS000107983-01,18,4.273,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)NCC1CCCO1,MLS000534901-01,18,3.4022,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(NCCN)nc(-c2ccccc2)c2c1CCCC2,MLS000534476-01,18,2.8697,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(CSc2nc3ccccc3[nH]2)c2ccccc12,MLS000534414-01,18,5.1475,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc2c1,MLS000534384-01,18,5.503,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(N/C=C\C(=O)c2ccc(Cl)c(Cl)c2)no1,MLS000534228-01,18,4.0983,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(N2C(=O)c3sc4nnc(-c5ccccc5)c(=O)n4c3C2=O)cc1,MLS000534118-01,18,3.181,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(N2C(=O)c3sc4nnc(C)c(=O)n4c3C2=O)cc1,MLS000111932-01,18,1.8224,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2NC(c2ccc(Cl)cc2Cl)N1Cc1ccccc1,MLS000533820-01,18,5.7601,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2NC(c2c(Cl)cccc2Cl)N1Cc1ccccc1,MLS000533802-01,18,5.7601,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(/C=C(\O)c2ccccc2)nc2ccccc2n1-c1ccccc1,MLS000533709-01,18,4.4418,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C(O)=C/c2nc3ccccc3n(-c3ccccc3)c2=O)cc1,MLS000533531-01,18,4.4504,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)o2)n2c(sc(=Cc3ccccc3)c2=O)=N1,MLS000533467-01,18,3.7753,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c([N+](=O)[O-])c(N2CCCCCC2)c2ccccc2n1-c1ccccc1,MLS000533464-01,18,4.2793,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c([N+](=O)[O-])c(N2CCCCC2)c2ccccc2n1-c1ccccc1,MLS000533340-01,18,3.8892,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(Br)s1)N1CCC(Cc2ccccc2)CC1,MLS000531645-01,18,4.154,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1ccc(N(Cc2cccs2)C2=NS(=O)(=O)c3ccccc32)cc1)c1ccccc1,MLS000530979-01,18,5.123,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1ccc(N(Cc2cccs2)C2=NS(=O)(=O)c3ccccc32)cc1)c1ccccc1F,MLS000530613-01,18,5.2621,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc(N=Cc2ccccc2O)c(C#N)c1C,MLS000530287-01,18,3.6928,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccn2cc(CCNC(=O)C3CCCCC3)nc2c1,MLS000530126-01,18,2.8817,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc2nc(CNC(=O)C3CCCCC3)cn12,MLS000102762-01,18,2.9007,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1C(=O)/C(=C2\SC(N)=NC2=O)c2ccccc21,MLS000529223-01,18,0.9622,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC2=NC(=O)/C(=C3/C(=O)N(C)c4ccccc43)S2)c1C,MLS000109991-01,18,3.7324,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C/C(=C\Nc1ccc(Cl)cn1)c1nc2cc(Cl)ccc2o1,MLS000529163-01,18,4.1815,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C/C(=C\Nc1ccc(Cl)cn1)c1nc2ccccc2o1,MLS000526850-01,18,3.5281,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)CC(NC(=O)c2cccc3ccccc23)CC(C)(C)N1,MLS000528604-01,18,3.8788,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(Oc1ccccc1)C(=O)NC1CC(C)(C)NC(C)(C)C1,MLS000110349-01,18,2.8793,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CC2SC(Nc3ccccn3)=NC2=O)cc1,MLS000528378-01,18,3.0426,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(CC2SC(Nc3ccccn3)=NC2=O)cc1,MLS000068023-01,18,3.1329,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Cn2c(N3CCc4ccccc4C3)nc3c2c(=O)[nH]c(=O)n3C)c1,MLS000528179-01,18,2.3427,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)C1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1,MLS000527655-01,18,3.9548,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(Br)cc1)N1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1,MLS000076294-01,18,3.0647,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cnc(SCC(=O)Nc3nc(C(C)(C)C)cs3)n2Cc2ccco2)cc1,MLS000527649-01,18,5.6848,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCC1)C(c1ccccc1)N(C(=O)c1ccno1)c1ccccc1,MLS000527548-01,18,4.1215,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1noc2c1C(=NO)CC(c1ccccc1)C2,MLS000526923-01,18,3.5354,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1noc2c1C(=NO)CC(c1ccccc1)C2,MLS000072369-01,18,3.9255,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1ccc(Br)cc1C(=S)N1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,MLS000526909-01,18,4.6461,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1ccccc1C(=S)N1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,MLS000526834-01,18,3.8836,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2ncn1-c1ccc(Cl)c(Cl)c1,MLS000525616-01,18,3.6925,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1c[nH]cn1)N1CCN(c2ccc(Cl)cc2)CC1,MLS000522904-01,18,1.574,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)OC13CCCCC1C2C(C(=O)c1ccccc1)C(=O)N3,MLS000522794-01,18,3.6866,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)OC13CCN(C)CC1C2C(C(=O)c1ccc(F)cc1)C(=O)N3,NCGC00085818-01,2,2.5872,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC1(C)N=C(c2ccc3c(c2)OCO3)CC(c2ccccc2O)N1,MLS000522166-01,18,3.7708,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2=NC(C)(C)NC(c3ccccc3O)C2)c1,MLS000047266-01,18,3.6606,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)C2CC(C)=C(C)CC2C(=O)O)cc1,MLS000521502-01,18,2.7586,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCNC(=O)Cn1cnc2sc(C(=O)Nc3ccc4c(c3)OCO4)c(C)c2c1=O,MLS000521305-01,18,2.2736,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)Cc2csc(Nc3nc(S)nc4ccccc34)n2)cc1,MLS000520902-01,18,3.9861,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1csc(Nc2nc(S)nc3ccccc23)n1)NCc1ccccc1Cl,MLS000520901-01,18,4.6309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CCNC(=O)CC1C(=O)N(Cc2ccccc2)C(C)c2nc3ccccc3n21,MLS000520468-01,18,4.2332,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCNC(=O)CC1C(=O)N(Cc2ccccc2)C(C)c2nc3ccccc3n21,MLS000520466-01,18,3.5971,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C2SCC(O)(c3ccccc3)N2C(=O)CC1c1ccccc1F,MLS000520389-01,18,3.4689,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1CCC(C(=O)NC(C(=O)Nc2ccc3c(c2)OCCO3)C(C)C)CC1,MLS000519857-01,18,3.7535,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNc1nc(-c2ccccc2)nc(-n2ccnc2)n1,MLS000519602-01,18,2.9363,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2nc(N3CCN(c4ccccc4)CC3)nc(-n3ccnc3)n2)cc1,MLS000045706-01,18,3.0509,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cccc(C2=NCCC(c3ccccc3)O2)c1,MLS000518479-01,18,0.0,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cccc(C2=NC(c3ccccc3)CO2)c1,MLS000518471-01,18,0.0,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1O,MLS000418665-01,18,6.2091,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)ccc1O,MLS000374283-01,18,6.2091,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(N=CN(C)C)sc(C=NNc2ccccc2)c1-c1ccc(Cl)cc1,MLS000418565-01,18,5.9126,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(N=CN(C)C)sc(C=NNc2ccccc2)c1-c1ccccc1Cl,MLS000418555-01,18,5.9126,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1/C=C(/CC(=O)NCc1ccccc1)c1nc2ccccc2s1,MLS000417931-01,18,5.552,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)cc1,MLS000417901-01,18,3.2283,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=C(S)Nc2cc(C)ccc2C)c(C)c1,MLS000417843-01,18,5.3541,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC(=S)Nc2cccc(Cl)c2)c(C)c1,4831088,18,4.9793,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1c2ccccc2C(C)(C)C12CC(c1cccc(S(=O)(=O)N3CCCC3)c1)=NO2,MLS000417609-01,18,3.7194,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1c2ccccc2C(C)(C)C12CC(c1ccc(S(=O)(=O)N3CCCCC3)cc1)=NO2,MLS000374285-01,18,4.1095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1-n1c(SCC(=O)NC(N)=O)nc2sc(-c3ccccc3)cc2c1=O,MLS000417508-01,18,3.7096,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)c1,MLS000417385-01,18,4.8235,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(Cl)cc2Br)c1,MLS000394108-01,18,4.4589,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)COC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1F,MLS000417267-01,18,4.6158,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1Cl,MLS000336183-01,18,5.1809,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NS(=O)(=O)c1ccc2oc(SCc3ccc(C#N)cc3)nc2c1,MLS000416768-01,18,4.8012,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NS(=O)(=O)c1ccc2oc(SC3CCOC3=O)nc2c1,MLS000048926-01,18,3.0448,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(SCc2nc(O)c3c(-c4ccccc4)csc3n2)nnc1-c1ccccc1F,MLS000416530-01,18,5.9398,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)C(c3ccccc3)C(c3nc4ccccc4s3)=C2N)cc1,MLS000416447-01,18,5.0626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1N1C(=O)C(c2ccccc2)C(c2nc3ccccc3s2)=C1N,MLS000390325-01,18,5.0712,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C2/N=C(SC3CCOC3=O)N(c3cccc(OC)c3)C2=O)cc1,MLS000416403-01,18,3.4962,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SC2CCOC2=O)cc1,MLS000394548-01,18,4.9108,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C2CC(c3ccccc3)=Nc3nc(-c4ccccc4)cn32)cc1,MLS000416361-01,18,5.73,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1c[nH]c2ccccc12)c1cccc2ccccc12,MLS000416301-01,18,5.2172,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cnnc1Sc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-],MLS000416300-01,18,3.9768,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc(Sc2ccc(C(=O)OCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])cc2[N+](=O)[O-])n1,MLS000390366-01,18,4.3537,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccccc1C(=O)c1ccccc1,MLS000409347-01,18,3.6251,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOCCCn1c(SC(C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1ccc(Cl)cc1,MLS000408924-01,18,7.114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1cccc(Cl)c1,MLS000402163-01,18,5.5185,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(c1ccco1)N(C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccn1,MLS000401515-01,18,5.445,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(c1ccco1)N(C(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccn1,MLS000401505-01,18,5.445,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(Cc1ccccc1)c1ccc(C=NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1,MLS000394976-01,18,4.2421,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCc3ccccc3C2)c1)N1CCc2ccccc2C1,MLS000394832-01,18,5.5378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(=NNc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(N)=S,MLS000394784-01,18,1.4388,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)c1ccc(NN=Cc2cccc(F)c2)cc1,MLS000394781-01,18,2.3171,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NC(S)=Nc3ccc(SC(F)F)cc3)c2)cc1,MLS000394693-01,18,6.4403,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2s1,MLS000393617-01,18,5.1258,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nc2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2s1,MLS000393260-01,18,5.1258,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cnn(C(=O)COc2ccc(Cl)cc2)c1)c1ccccc1O,MLS000393502-01,18,3.1923,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(O)c(C(=O)c2cnn(C(=O)COc3ccc(Cl)cc3)c2)c1,MLS000393492-01,18,3.5007,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C/Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c2ccccc2C(=O)N1c1ccc(Cl)cn1,MLS000393404-01,18,4.4465,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C/Nc2nnc(Cc3ccccc3)s2)c2ccccc2C(=O)N1c1ccc(Cl)cn1,MLS000390271-01,18,4.8173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NS(=O)(=O)c1ccc(NN=C2CCCC2)c([N+](=O)[O-])c1,MLS000393364-01,18,3.7461,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NS(=O)(=O)c1ccc(NN=C2CCCCC2)c([N+](=O)[O-])c1,MLS000374510-01,18,4.1362,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c(-c2ccccc2)csc1NC1=NS(=O)(=O)c2ccccc21,MLS000393363-01,18,3.7627,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=S)NC(=O)C2CCCC2)c1,MLS000393266-01,18,4.1526,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1nc(CSc2nc(-c3ccccc3)cs2)nc2ccccc12,MLS000393152-01,18,4.7512,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)C2CC=C(C=NNC(=O)c3ccc(Cl)cc3)C1C2,MLS000392134-01,18,4.048,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)C(=O)Nc1ccccc1F,MLS000391886-01,18,4.6779,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(/C=C2\CCC(/C=C(\C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)cc1,MLS000391884-01,18,5.5241,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OC(c1ccccc1)c1nccc2ccccc12)c1cccc([N+](=O)[O-])c1,MLS000391505-01,18,5.0894,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OC(c1ccccc1)c1nccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,MLS000389750-01,18,4.9976,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CSc1ncnc2sccc12,MLS000391339-01,18,5.3359,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1,MLS000391312-01,18,3.4853,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1cccc2ccccc12,MLS000390828-01,18,4.1969,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccc(F)cc3F)c2c1C,MLS000390614-01,18,5.9898,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccccc3Cl)c2c1C,MLS000335080-01,18,6.365,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Oc2ccc(/C=C/C(=O)c3cccc(OC)c3)cc2[N+](=O)[O-])cc1,MLS000390417-01,18,5.3004,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(Sc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)C(=O)NCc1ccc2c(c1)OCO2,MLS000390408-01,18,4.5985,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)Nc2cc(C)nn2-c2nc3ccccc3[nH]2)cc1,MLS000389675-01,18,3.7175,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nc(Sc2nnnn2-c2ccccc2)c2c3c(sc2n1)CCCC3,MLS000389508-01,18,4.2594,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(OCc2cc(=O)n3ccsc3n2)cc1,MLS000388916-01,18,2.5376,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C/C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1OCC#N,MLS000388884-01,18,2.9486,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2csc(/C=C/c3ccc4c(c3)OCO4)n2)cc1OC,MLS000388794-01,18,4.7264,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-],MLS000375445-01,18,4.8544,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1[N+](=O)[O-],MLS000375376-01,18,4.6858,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CON=C1c2ccccc2-c2ccccc21)NC12CC3CC(CC(C3)C1)C2,MLS000375343-01,18,4.521,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(OC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1,MLS000375290-01,18,5.4251,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)Nc1ccc(OC(F)F)cc1,MLS000374923-01,18,3.9222,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)NCCc1ccccc1,MLS000374852-01,18,4.8582,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCc1ccccc1,NCGC00021314-02,2,2.7538,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1CN(C(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)c2ccccc2N1,MLS000374839-01,18,2.8297,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ncccc1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21,MLS000058192-01,18,1.6224,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1/C(=C\C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C(C)(C)c2ccccc21,MLS000374368-01,18,4.3554,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc2[nH]c(O)c(N=NC(S)=NCCc3ccccc3)c2c1,MLS000339638-01,18,5.6091,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(OC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)C(=O)Nc1ccc2c(c1)OCCO2,MLS000336587-01,18,4.1203,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)c1,MLS000336486-01,18,3.5852,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)COc2ccc(C(=O)NC3CCCc4ccccc43)cc2OC)cc1,MLS000336268-01,18,4.9188,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)c2c(N)sc3c2CCC(C)C3)c1,MLS000336098-01,18,3.9945,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(OC(=O)c1oc2ccccc2c1CSC1CCCCC1)C(=O)NC(N)=O,MLS000335576-01,18,3.7389,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCNC(=O)COC(=O)c1oc2ccccc2c1CSC1CCCCC1,MLS000335483-01,18,4.4577,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cccc2ccc(/C=C/c3cccc(Br)c3)nc12,MLS000335395-01,18,5.0759,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)ccc1OCC#N,MLS000334301-01,18,4.2244,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCNC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1=O,MLS000335394-01,18,2.8287,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCNC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1=O,MLS000335381-01,18,2.8287,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Br)cc(Cl)c1OCC(=O)NC(=O)NCc1ccccc1,MLS000334952-01,18,3.8157,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc2c(C3=NN=C(NC4CCCCC4)SC3)c[nH]c2c1,MLS000334730-01,18,3.8971,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1cc(=O)oc2cc(OCC(=O)NCc3cccs3)ccc12,MLS000334692-01,18,3.5022,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=NNC(=O)CNc1cccc(C(F)(F)F)c1,MLS000334575-01,18,5.781,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCNC(=O)c1ccccc1Cl)Nc1nc(-c2ccccc2Cl)cs1,MLS000334535-01,18,4.8755,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)C2=C(C)N=C(S)NC2c2ccc(F)cc2F)sc(C)c1C,MLS000334158-01,18,4.6626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccccc3O)[nH]n2)cc1,MLS000331871-01,18,5.3202,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O)cc1,MLS000331501-01,18,4.9451,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(COc2ccc(-c3[nH]ncc3-c3ccc(Cl)cc3)c(O)c2)cc1,MLS000331461-01,18,5.5899,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=c1c2c(ncn1Cc1ccco1)Oc1c(ccc3ccccc13)C2c1ccccc1,MLS000331374-01,18,5.443,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c2ccccc2c2cc(C(=O)NNS(=O)(=O)c3ccc(F)cc3)sc21,MLS000331230-01,18,3.1554,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cc3c4ccccc4n(C)c3s2)cc1,1490420,18,2.9747,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1[C@@H]2[C@@H]3C[C@@H]([C@H]4ON=C(c5ccc(OCc6ccccc6)cc5)[C@@H]34)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2,MLS000331127-01,18,4.1689,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CCOc1ccc(C2=NO[C@@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(c6ccc7c(c6)OCO7)C(=O)[C@@H]45)[C@H]23)cc1,MLS000331117-01,18,2.4923,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2=NO[C@@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(c6sc7c(c6C#N)CCCC7)C(=O)[C@@H]45)[C@H]23)cc1,MLS000331126-01,18,3.9816,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(N2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@H]5ON=C(c6ccc(Cl)cc6)[C@@H]45)[C@@H]3C2=O)sc2c1CCCC2,MLS000331116-01,18,4.3266,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C(O)/C=C/c1ccccc1,MLS000331119-01,18,2.833,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C(O)/C=C/c1ccc2c(c1)OCO2,MLS000331100-01,18,3.2095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(SCC(=O)c2cccs2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1,MLS000331039-01,18,5.703,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(SCC(=O)c2cccs2)n2nc(C)c(-c3ccccc3)c2n1,MLS000330972-01,18,5.0496,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1c(C=Nc2ccc(Oc3ccccc3)cc2)cnn1-c1cccc(Cl)n1,MLS000327950-01,18,5.1692,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1c(C=Nc2ccc(Cl)cc2)cnn1-c1cccc(Cl)n1,MLS000327940-01,18,4.0303,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1nn(-c2ccc(Cl)cc2)c(O)c1C=Nc1ccc(O)cc1,MLS000327889-01,18,4.0862,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1nn(-c2ccc(Cl)cc2)c(O)c1C=Nc1ccc(Cl)cc1,MLS000327859-01,18,5.034,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)C2CN(c3ccccc3)CC2c2ccc(Cl)cc2)c1,MLS000327826-01,18,5.4515,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccccc1)C1CN(c2ccccc2)CC1c1ccc(Cl)cc1,MLS000326483-01,18,5.4429,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CSC(c2ccccc2)N1c1nc(-c2ccc(Cl)cc2Cl)cs1,MLS000327685-01,18,5.8955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CSC(c2ccccc2)N1c1cc(Cl)ccc1O,CK-548,3,3.8242,Shoichet Lab In House Data - Kristin Ziebart
+N#CCSc1sc(C#N)c(NC(=O)c2ccccc2)c1-c1ccccc1,MLS000327683-01,18,5.1548,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CCSc1sc(C#N)c(NC(=O)c2ccc(Cl)cc2)c1-c1ccccc1,MLS000327576-01,18,5.8082,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(C(=O)Nc2cccc(Cl)c2)nn1-c1cc(OC(C)C)c(Cl)cc1Cl,MLS000327590-01,18,5.5754,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(C(=O)Nc2cccc(Cl)c2Cl)nn1-c1cc(OC(C)C)c(Cl)cc1Cl,MLS000327580-01,18,6.2288,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Oc2ncc(-c3ccc(Cl)cc3)cn2)c1,MLS000327116-01,18,4.8977,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Oc2ncc(-c3ccc(Cl)cc3)cn2)cc1,MLS000327064-01,18,4.8977,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F,MLS000327050-01,18,3.5036,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(/C(C#N)=C/c2c(-c3ccc(Cl)cc3)nc3c(C)cccn23)c1,MLS000326878-01,18,6.0359,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C(C#N)=C/c2c(-c3ccc(Cl)cc3)nc3c(C)cccn23)cc1,MLS000326868-01,18,6.0359,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCS(=O)(=O)c1ccc(-c2csc(-c3ccccc3Cl)n2)c(Cl)c1Cl,MLS000326820-01,18,6.2309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C=NNC(=O)c2cc3c(s2)-c2ccccc2CC3)c1,MLS000326818-01,18,4.586,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=Cc1cccc(C(F)(F)F)c1)c1cc2c(s1)-c1ccccc1CC2,MLS000326808-01,18,5.2964,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(Cl)c(C=NOC(=O)c2cccc(Cl)c2)c2ccccc21,MLS000326787-01,18,4.676,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1nc(-c2ccccc2)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1Cl,MLS000326428-01,18,5.0116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CN2C(=O)c3ccccc3C(C=NOCc3ccc(F)cc3)C2=O)cc1,MLS000326240-01,18,4.3031,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CN2C(=O)c3ccccc3C(C=NOCc3ccc(Cl)cc3)C2=O)cc1,MLS000326220-01,18,4.8174,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC=NOCc1ccccc1F)c1cnc(-c2ccc(Cl)cc2)s1,MLS000326189-01,18,5.378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC=NOCc1ccc(F)cc1Cl)c1cnc(-c2ccccc2)s1,MLS000326160-01,18,5.378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Oc2ncccc2C=NOCc2ccc(Cl)c(Cl)c2)cc1,MLS000326084-01,18,6.0398,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Oc2ncccc2C=NOCc2ccc(Cl)cc2Cl)cc1,MLS000326074-01,18,6.0398,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Sc2ccc(NC(=O)c3ccccc3Cl)cc2C#N)cc1,MLS000326035-01,18,5.6238,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C=C(/N)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,MLS000325926-01,18,2.4391,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1snc(SCC(=O)NN=C(N)COc2ccc(F)cc2)c1C#N,MLS000325755-01,18,2.0218,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1snc(SCC(=O)NN=C(N)COc2cccc(C(F)(F)F)c2)c1C#N,MLS000325745-01,18,2.9015,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(-c2ccc(F)cc2)nc1Sc1ccc(F)cc1,MLS000325717-01,18,5.0497,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(-c2ccc(F)cc2)nc1Oc1ccc(F)cc1,MLS000325668-01,18,4.6908,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2nc(-c3ccc(C)cc3)c(C#N)c(=O)n12,MLS000325331-01,18,3.5574,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1nn(-c2ccccc2C)c2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)n12,MLS000325311-01,18,3.5574,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NN=C2C(=O)Nn3c2nc(C)cc3=O)c1,MLS000325292-01,18,0.4602,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(=O)n2c(n1)C(=NNc1ccccc1)C(=O)N2,MLS000325262-01,18,0.4516,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2c(C#N)cnc3c(N=Nc4ccccc4Cl)c(N)nn23)cc1,MLS000325116-01,18,5.2274,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cnc2c(N=Nc3ccccc3Cl)c(N)nn2c1-c1ccccc1,MLS000325106-01,18,4.919,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1N(CC(=O)NN=Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1,MLS000324919-01,18,3.8581,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(Cc2cccc(C(=O)Nc3ccn(Cc4c(F)c(F)cc(F)c4F)n3)c2)c(C)c1[N+](=O)[O-],MLS000324586-01,18,4.5099,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCC2)cc1,MLS000123239-01,18,4.7799,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(c1)cc(CN(Cc1ccc3c(c1)OCO3)C(=O)c1ccccc1)c1nnnn12,MLS000122499-01,18,4.1572,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(c1)cc(CN(Cc1ccc3c(c1)OCO3)S(=O)(=O)c1ccccc1)c1nnnn12,MLS000032774-01,18,3.7057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(C(=O)OC(C(=O)NC2CCCCC2)c2cccnc2)cc2sccc21,MLS000122458-01,18,3.9818,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN(CC(=O)NC2CCCC2)C(=O)CSc2nnc(COc3ccccc3)o2)cc1,MLS000121921-01,18,4.1367,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)C(NC(=O)c2ccco2)Nc2sc3c(c2C(N)=O)CCCC3)cc1,MLS000121393-01,18,3.6781,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)CSC1=C(C#N)C(c2ccsc2)CC(=O)N1,MLS000121071-01,18,1.993,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSC1=C(C#N)C(c2cccc(OC)c2)CC(=O)N1,MLS000070720-01,18,2.787,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1cccc(NC(=O)Nc2cc3sccc3n2C)c1,MLS000119745-01,18,4.0864,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc2cc3c(=O)n(-c4ccccc4)nc-3oc12,MLS000118518-01,18,3.0921,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc2cc3c(=O)n(-c4ccccc4)nc-3oc12,NCGC00085381-01,2,3.0921,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1NC(c2ccco2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3,MLS000114542-01,18,3.7535,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)C1CCc2c(sc3c2C(=O)NC(c2ccco2)N3)C1,MLS000089962-01,18,4.3462,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(N2C(=O)C3ON(c4ccccc4)C(c4cccs4)C3C2=O)c1,MLS000114379-01,18,3.8078,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1C1C2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccccc1,MLS000040441-01,18,4.1364,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2csc(NCc3ccco3)n2)cc1C,MLS000113625-01,18,4.3322,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(c2ccoc2)CC(Nc2ccccc2)=C1C(=O)Nc1ccccc1,MLS000112551-01,18,4.731,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(c2ccco2)CC(Nc2ccccc2)=C1C(=O)Nc1ccccc1,NCGC00044744-01,2,4.731,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ccc(F)cc1)C1CCC(N2C(=O)c3ccccc3C2=O)CC1,MLS000112344-01,18,3.6192,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc2oc(-c3cc(N)ccc3O)nc2c1,MLS000111297-01,18,3.906,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2oc(-c3cc(N)ccc3O)nc2c1,MLS000030589-01,18,3.345,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSC1=N/C(=C\c2ccc(C(=O)O)cc2)C(=O)S1,MLS000110042-01,18,3.1082,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(=Cc2ccccn2)sc2nc3ccccc3n12,MLS000109246-01,18,1.8519,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(=Cc2cccn2-c2ccccc2)sc2nc3ccccc3n12,MLS000071169-01,18,3.2476,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccco1)C1c2ccccc2Oc2ccccc21,MLS000109085-01,18,3.8336,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1cc(C(=O)c2cccs2)ccc1Cl,MLS000107586-01,18,3.2147,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C\Nc1ccccn1)c1ccc(Cl)cc1,MLS000107265-01,18,3.5435,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1ccn(-c2ccccc2)n1)c1ccc(Br)cc1,MLS000106900-01,18,3.4356,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1ccn(-c2ccccc2)n1)c1ccc(Br)cc1,NCGC00077578-01,2,3.4356,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Clc1ccccc1OCCCCn1ccnc1,MLS000106146-01,18,3.3957,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(Cl)cc1Cl)NCCCn1ccnc1,MLS000040545-01,18,3.197,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(C2C(C#N)=C(N)Oc3cc(N)ccc32)c1,MLS000105428-01,18,2.5042,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc2c1OCO2,MLS000038112-01,18,2.7081,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(S(=O)(=O)NCCc2cn3ccsc3n2)s1,MLS000103896-01,18,2.5407,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)s1,MLS000102767-01,18,2.4982,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(SCC(=O)OCc2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1,MLS000102211-01,18,1.1711,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(SCc2c(F)cccc2Cl)c2c(=O)n(C)c(=O)n(C)c2n1,MLS000102209-01,18,2.4204,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2nc3n(c(=O)c2C#N)CCCS3)cc1,MLS000100308-01,18,2.6765,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(-c2ccc(Cl)cc2Cl)nc2n(c1=O)CCS2,NCGC00046344-01,2,3.1945,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCc1cc(O)n2nc(Cc3ccccc3)nc2n1,MLS000100182-01,18,2.3732,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1cc(-c2ccccc2)nc2nc(CCc3ccccc3)nn12,MLS000065977-01,18,3.2821,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(Cc2nnc(-c3ccccc3)o2)cc1,MLS000099794-01,18,3.3274,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2nnc(CN3CCCc4ccccc43)o2)cc1,MLS000066744-01,18,3.6894,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(CN3C(=O)NC4(CCCCC4)C3=O)cc(=O)oc2c1C,MLS000098485-01,18,3.1645,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1N1CCN(c2nc(N)c(C#N)c(CC#N)c2C#N)CC1,MLS000098132-01,18,2.1985,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CCc1c(C#N)c(N)nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C#N,MLS000053554-01,18,0.9841,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Cc2cn3ccsc3n2)nc1,MLS000097668-01,18,2.2804,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CC(=O)NCc2cn3ccsc3n2)cc1,MLS000094185-01,18,2.2633,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(N/C(SCc2cccc(F)c2)=C(/C#N)C(=O)NCc2ccco2)cc1,MLS000095560-01,18,5.378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)CSc1nc2cc(C(=O)NCc3ccco3)ccc2c(=O)n1C1CCCCC1,MLS000095553-01,18,4.0799,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CCSc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1-c1ccc(F)cc1,MLS000095481-01,18,4.3743,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCCN1C(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccc2c(c1)OCO2)OCO3,MLS000095409-01,18,3.3953,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc2c(c1)nc(S)n1c3ccccc3nc21)N1CCN(c2ncccn2)CC1,MLS000094786-01,18,3.0768,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2=Nn3c(nnc3-c3ccccc3O)SC2)c1,MLS000094779-01,18,3.0174,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-c2nnc3n2N=C(c2ccccc2Br)CS3)c1,MLS000041212-01,18,4.3741,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1C1CCCCC1,MLS000094382-01,18,2.3684,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(=O)Cn2ncn3c(cc4ccccc43)c2=O)c1,MLS000093546-01,18,2.9047,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)cc(SCC(=O)Nc2ccccn2)c2ccccc21,MLS000092101-01,18,2.6643,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NCc2ccccc2Cl)n2nnnc2n1,MLS000091267-01,18,2.0932,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)n2nc(CC(=O)NCc3ccccc3Cl)nc2n1,3390597,18,2.2534,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCCC1NC(=O)C1Cc2ccccc2CN1S(C)(=O)=O,MLS000090478-01,18,2.0678,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2sccn2c1-c1csc(NCc2ccccc2)n1,MLS000090069-01,18,4.4398,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1N1CCN(C(=O)c2ccccc2)CC1,MLS000089037-01,18,3.0477,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1SC(c2ccccc2)=N/C1=C/c1ccco1,MLS000088479-01,18,3.3407,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C1CCCCC1,MLS000086662-01,18,3.8634,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)CSc1nc2c3ccccc3nc-2c(O)n1C,MLS000086607-01,18,2.4339,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)COCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1,MLS000086346-01,18,3.4608,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCCC1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br,MLS000085751-01,18,4.8331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)o3)nc2c1Br,MLS000079492-01,18,4.3197,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1noc(NS(=O)(=O)c2ccc(N/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)c1C,MLS000085003-01,18,3.6294,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1cc(-c2ccccc2)ccc1O,MLS000084764-01,18,2.6414,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc(-c2ccc(N)c(O)c2)cc1O,AB08006849-01,18,1.9292,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn2c(O)c(C#N)c(-c3ccccc3)nc2c1-c1ccccc1,MLS000084486-01,18,3.949,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1n[nH]c(NC=C2C(=O)N(C)C(=O)N(C)C2=O)c1-c1ccccc1,MLS000084314-01,18,1.7313,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1C(=O)C(=CNc2ccccn2)C(=O)N(C)C1=O,MLS000055473-01,18,0.4278,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2C(=O)C12Cc1ccccc1N1CCN(c3ccccc3)CC12,MLS000083370-01,18,4.0035,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(=O)C2(Cc3ccccc3N3CCN(c4ccccc4)CC32)C(=O)N1Cc1ccccc1,NCGC00071265-01,2,3.2029,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cc2c(cc1OC)-c1cc(NC3CCCC3)nc(=O)n1CC2,MLS000083201-01,18,2.8381,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1OC)-c1cc(NC3CCCCCCC3)nc(=O)n1CC2,MLS000041512-01,18,4.0084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1Cc2ccccc2N1Cc1cc(=O)n2ccsc2n1,MLS000081709-01,18,2.7072,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(CN2CCc3ccccc32)nc2sccn12,MLS000081688-01,18,2.3187,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(NC(=O)c2ccccc2NC(=O)c2ccco2)nc2ccccc21,MLS000078702-01,18,3.6709,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)COc1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1,MLS000078199-01,18,3.7207,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(-c2noc(C3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)n2)cc1,MLS000076295-01,18,4.0243,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)n2nc(-c3ccc(C)cc3)nc2N)cc1OC,MLS000076095-01,18,2.5414,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)n1nc(-c2cccnc2)nc1N,NCGC00085780-01,2,1.6194,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1cccc(-c2nnn(CC(=O)N3CCc4ccccc4C3)n2)c1)C1CCC1,MLS000076083-01,18,2.6636,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CC1)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1,MLS000075670-01,18,2.4374,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nc(C)c(C3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c2Cl)cc1,MLS000075460-01,18,4.5934,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1c(C)nn(-c2ccccc2)c1Cl,MLS000034905-01,18,3.4789,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1sccc1C(=O)c1ccc(Cl)cc1,MLS000072944-01,18,3.2147,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1sccc1C(=O)c1ccccc1,MLS000071577-01,18,2.5613,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3c(C)ccc4nsnc34)c(O)nc2c1,MLS000071855-01,18,4.546,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C(C2=C(O)c3ccccc3C2=O)=Nc2ccccc21,MLS000071738-01,18,3.121,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C(C2=C(O)c3ccccc3C2=O)=Nc2ccccc21,NCGC00030407-01,2,3.121,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(NC(=O)Cn2nnc(-c3ccc(CN4CCCC4)cc3)n2)c1C,MLS000070908-01,18,3.1914,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnn(CC(=O)Nc3cccc4c3CCCC4)n2)o1,MLS000031927-01,18,2.759,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccco1)c1sc2cccc(F)c2c1Cl,MLS000066312-01,18,4.2168,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)nc(Nc2ccc(N3CCOCC3)cc2)n1,MLS000066141-01,18,2.6736,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1,2908734,18,3.6318,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1sc2nc(SCC(=O)N3CCCCC3)nc(O)c2c1C,MLS000066010-01,18,3.0125,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc(NC(=O)c2ccc(Cl)s2)c(C(N)=O)c1C,MLS000065679-01,18,3.431,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)C(C)NS(=O)(=O)c1ccccc1,MLS000065192-01,18,2.0007,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc2ccn(CC(=O)NCc3ccccc3)c2c1,MLS000065047-01,18,2.8294,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(OC)c1OCCCSc1nc(C)cc(O)n1,MLS000064885-01,18,3.069,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)nc(SCCOc2ccc3c(c2)CCC3)n1,MLS000064411-01,18,3.1504,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-c2nnc(-c3ccc(N)cc3)o2)c1,MLS000064275-01,18,3.2942,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(SCc2nc3ccccc3[nH]2)C(=O)N1c1ccc(F)cc1,MLS000063659-01,18,3.2673,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(SCc2nc3ccccc3[nH]2)C(=O)N1c1cccc(F)c1,MLS000050621-01,18,3.2673,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2nc(-c3ccc(Br)cc3)no2)c(OC)c1,MLS000063427-01,18,4.1833,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCSc1c(O)nc2cc3c(cc2c1C)OCO3,MLS000062507-01,18,3.8697,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCSc1c(O)nc2cc3c(cc2c1C)OCO3,NCGC00061774-01,2,3.8697,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1oc(-c2nc3ccccc3n2C)cc1C(=O)c1ccccc1,MLS000061805-01,18,4.3727,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(C(=O)c2ccc(Cl)cc2)cc1-c1nc2ccccc2n1C,MLS000041623-01,18,4.4632,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OCCNc1nc2cc(Cl)ccc2[nH]1,MLS000061573-01,18,1.6205,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNc2ccc3c(c2)OCO3)c(C)c1,MLS000059228-01,18,3.6442,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(NC(=O)C2CCCN2C(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C,MLS000058473-01,18,2.7892,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cnc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)s1,MLS000058132-01,18,3.9515,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc2ccccc2c1CN1CCOCC1)N1CCc2ccccc21,MLS000058018-01,18,3.6401,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2-c2cccnc2)c(C)c1,MLS000057912-01,18,3.8008,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC12CCC(c3c(C(=O)Nc4nccs4)nn(-c4ccccc4)c31)C2(C)C,MLS000056644-01,18,4.756,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccco3)c2=O)s1,MLS000056576-01,18,2.0465,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1cc2ccccc2o1,MLS000056140-01,18,3.3211,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1cc2ccccc2o1,NCGC00041947-01,2,3.3211,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(C(C#N)C(=O)Cc2cccc3ccccc23)nc2ccccc21,MLS000055418-01,18,4.1455,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(C(C#N)C(=O)c2sc3ccccc3c2Cl)nc2ccccc21,NCGC00037757-01,2,4.9315,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cc1cn2ccsc2n1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2,MLS000055247-01,18,3.5918,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c1C,MLS000053916-01,18,1.5893,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)C2CCCN32)cc1C,MLS000053833-01,18,3.0198,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc2c(c1)NC(=O)C1CCCN21,NCGC00085882-01,2,1.3941,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Clc1ccc(-n2nnnc2SCc2c(-c3ccccc3)nc3sccn23)cc1,MLS000053753-01,18,4.9842,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(-n2nnnc2SCc2c(-c3ccccc3)nc3sccn23)cc1,NCGC00037102-01,2,4.9842,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCn1nnnc1NCc1ccc(N2CCCC2)cc1,MLS000052795-01,18,2.6855,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1Cc1ccccc1,MLS000052730-01,18,3.317,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc2cc(-c3nnc(SCC(=O)Nc4cc(C(F)(F)F)ccc4Cl)n3N)oc12,MLS000051591-01,18,4.8167,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)nc4ccccc34)CC2)cc1,MLS000051227-01,18,4.7955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2CC(C(=O)N3CCc4ccccc43)CC2=O)cc1,MLS000050828-01,18,2.9372,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)c1cc(-c2ccccc2)on1,MLS000050754-01,18,4.7157,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCSc1nnc(NC(=O)CSc2nc(O)cc(CCC)n2)s1,MLS000050428-01,18,2.9951,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(C2COc3ccccc3O2)csc1NC(=O)c1ccco1,MLS000050249-01,18,4.2826,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Cc1nsc(NC(=O)c2cc(-c3cccc(C(F)(F)F)c3)oc2C)n1,MLS000050244-01,18,4.5091,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Cc1nsc(NC(=O)c2cc(-c3cccc(C(F)(F)F)c3)oc2C)n1,NCGC00055048-01,2,4.5091,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCc1ccc2c(c1)OCO2)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1,MLS000049904-01,18,3.7125,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(C(=O)c1ccccc1)=C1/SC=C(N)N1c1ccccc1,MLS000048989-01,18,3.6155,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(C(=O)c1ccccc1)=C1/SC=C(N)N1c1ccccc1,NCGC00056719-01,2,3.6155,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1=C(C#N)C(c2cn(-c3ccccc3)nc2-c2cccs2)C(C#N)=C(C)N1,MLS000048603-01,18,4.8828,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CCCC2=C1C(c1cn(-c3ccccc3)nc1-c1cccs1)c1c([nH]c(=O)[nH]c1=O)N2,3000036,18,3.5419,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCCC1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1,MLS000048412-01,18,2.6884,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)no1,MLS000048278-01,18,3.8315,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2CCN(c3ccc(NC(=O)C4CCCCC4)cc3C#N)CC2)cc1,MLS000047597-01,18,4.4123,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccc(-n2cccc2)cc1)N1CCc2ccccc21,MLS000047180-01,18,3.6091,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)cc1,MLS000047170-01,18,1.9366,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1CNC(=O)C1CCC(=O)N1C(C)C,MLS000046347-01,18,2.1009,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(N2CCN(c3nc4cc5c(cc4s3)OCCO5)CC2)cc1,MLS000045512-01,18,3.3941,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc2c(c1)CCN(c1nc3cc4c(cc3s1)OCCO4)C2,MLS000045511-01,18,3.6302,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCn1c(=S)[nH]c2c(oc3ccc(Cl)cc32)c1=O,MLS000044845-01,18,4.2588,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCn1c(=S)[nH]c2c(oc3ccc(Cl)cc32)c1=O,NCGC00045933-01,2,4.2588,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)c1ccc(-c2nc(N3CCCCC3)nc(O)c2C#N)cc1,MLS000044630-01,18,3.8346,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)N3CCOCC3)c(C)c2c1,MLS000044563-01,18,2.2441,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(NC(=O)c2cc[nH]n2)cc1,MLS000043295-01,18,1.8646,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)cc1,MLS000041398-01,18,4.5287,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCC1,MLS000040727-01,18,3.3734,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)cc1,MLS000040074-01,18,3.0031,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N(O)C1CC(=O)N(c2ccc(Br)cc2)C1=O,MLS000039974-01,18,2.9854,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(-c2nnc(N3CCCC3)nn2)cc1,MLS000038815-01,18,2.1872,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(-c2nnc(N3CCCC3)nn2)cc1,NCGC00064818-01,2,2.1872,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1N1CCN(C)CC1,MLS000038508-01,18,3.8919,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CCOCC1,NCGC00085783-01,2,3.2099,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+c1ccc2c(CN3CCN(C4CCCCC4)CC3)c[nH]c2c1,MLS000037911-01,18,2.7935,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(N/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C,MLS000037352-01,18,2.1013,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2sc(C#N)c(N)c2c2c1CCCC2,MLS000036343-01,18,2.9374,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1/C(=C\C(=O)COc2ccc3c(c2)OCO3)C(C)(C)c2ccccc21,MLS000036042-01,18,3.6747,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(=O)c2ccccc2n2c(SC(C)C(=O)Nc3nc(-c4ccccc4)cs3)nnc12,MLS000035970-01,18,4.473,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)(C)NC(=O)C(c1ccc(C)o1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21,MLS000035917-01,18,4.4691,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)(C)NC(=O)C(c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1,MLS000033025-01,18,3.9882,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2[nH]c3nc(SC(C)C)nnc3c2c1,MLS000035787-01,18,3.0152,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(Cl)cc1-c1cc(-c2ccccc2Cl)[nH]n1,MLS000035498-01,18,4.7561,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn2cc(-c3ccc(Cl)cc3)nc2s1,MLS000034958-01,18,3.9975,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn2cc(-c3ccc(-c4ccccc4)cc3)nc2s1,NCGC00038579-01,2,4.4332,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc2c(Cl)c(C(=O)NC3CCS(=O)(=O)C3)sc2c1,MLS000034899-01,18,2.4802,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)N1CC2=C(OC(N)=C(C#N)C2c2cccnc2)/C(=C/c2cccnc2)C1,MLS000034884-01,18,3.346,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1Cc2ccccc2N1c1ncnc2c1nnn2Cc1ccccc1,MLS000034126-01,18,3.3523,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(Cn2nnc3c(N4CCc5ccccc54)ncnc32)cc1,MLS000034116-01,18,2.9638,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(NC1CCCC1)c1cccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)c1,MLS000033601-01,18,2.678,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1cccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)c1)N1CCCCC1,MLS000033591-01,18,2.6317,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2ccccn2)cc1,MLS000032784-01,18,4.0712,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)cc1C,MLS000030702-01,18,3.3597,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)cc1,MLS000032658-01,18,2.3595,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(=O)CCN2CCCCCC2)cc1,MLS000032203-01,18,3.9559,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)N1CCN(CCC(=O)c2ccc(Cl)cc2)CC1,6603510,18,3.1087,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc2nc(-c3ccccc3)nc(SCc3nnc(-c4ccccc4)o3)c2c1,MLS000032162-01,18,5.7782,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)nc2ccccc21,MLS000031582-01,18,4.1731,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)Cc2c(c(N3CCOCC3)nc3snc(N)c23)CO1,MLS000030495-01,18,1.9614,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(-c2ccc(Cl)cc2)cnc1N,MLS000027859-01,18,2.3227,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2cnc(N)n2C)cc1C,MLS000027243-01,18,2.2861,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2cc(N3CCOCC3)nc3ccccc23)cc1,MLS000027695-01,18,3.6321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(-c2ccccc2)noc1=O)Nc1ccc(N2CCCCCC2)cc1,MLS000027331-01,18,3.5224,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c(-c2ccccc2)noc1=O)Nc1ccc(N2CCCCCC2)cc1,NCGC00034370-01,2,3.5224,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc2c(c1)c1c3n2CCN(C(=O)Cn2c(-c4ccccc4)noc2=O)C3CCC1,MLS000027291-01,18,3.6862,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(c1)c(=O)c1c3n2CCN(C(=O)CCl)C3CC1,3557499,18,2.3782,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1,AB07944740-01,18,6.4955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1,AB02540540-01,18,5.2059,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,2540,18,6.3191,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,Candesartan_cilexetil,4,6.3191,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,3503,18,6.3822,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,227456,18,6.4731,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1,3797,18,5.3232,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1,176406,18,5.745,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CC(=O)c1ccc2ccccc2c1,3799,18,3.2085,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(Nc2nc3ccccc3s2)cc1,234474,18,3.9481,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,441325,18,7.358,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,Amiodarone,4,6.9362,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)cc-2oc2c([Hg])c([O-])c(Br)cc12,441373,18,-4.1177,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c([O-])c(Br)cc12,Eosin_Y,15,-0.9401,Shoichet Lab In House Data - Allison Doak
+O=C(NCc1ccco1)C(Cc1ccccc1)N1C(=O)C2C3C=CC(C3)C2C1=O,645887,18,2.3142,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1nc(-c2cccs2)nc2c(=O)n(C)c(=O)nc1-2,653297,18,0.5852,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(-c2nc3ncccc3o2)ccc1N,656359,18,2.7804,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(-c3ccc(N)cc3)[nH]c2c1,784698,18,2.8207,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(-c2ccccc2F)nc(-c2ccccc2F)o1,921563,18,3.647,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(-c2cccc(Br)c2)nc(-c2ccccc2F)o1,1388525,18,4.2704,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2nc(-c3ccc4nc[nH]c4c3)[nH]c2c1)c1cccs1,1084673,18,4.42,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(-c2ncc(-c3cccc4ccccc34)o2)cc1,1212564,18,4.9484,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1nc(-c2sccc2Cl)cs1)c1cc(Cl)ccc1Cl,1488444,18,5.6326,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1nccs1)c1cc(Cl)ccc1Cl,NCGC00066015-01,2,3.2507,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(c1ccco1)N1CCN(c2ncnc3c2[nH]c2ccc(Cl)cc23)CC1,1972114,18,3.3199,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)Nc1cc(F)ccc1F,2340519,18,3.5493,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2ccc(C#N)c(OC(=O)c3c(Cl)cccc3Cl)n2)cc1,2767152,18,5.1549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(NC(=O)C(CC)OC(=O)C(CC(C)C)NC(=O)c2ccccc2)nc1C,2915100,18,3.7332,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCNC(=S)NCCCNc1nc2cc3c(cc2cc1C#N)OCO3,3221569,18,1.7477,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(C#N)c(NCCNC(=S)NCCCN3CCOCC3)nc2cc1C,3221628,18,2.3216,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)c2c(-c3ccccc3)n(-n3cnnc3)cc2n(C)c1=O,3236798,18,0.6086,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-n2cnnc2)cc1,3245142,18,0.917,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cccc(N2C(=O)C3CC=CCC3C2=O)c1)N1CCN(c2ccccc2)CC1,3240146,18,3.1046,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)OC1(C(F)(F)F)Oc2ccccc2NC1=O,3243025,18,1.8392,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=C(C)C(=O)OC1(C(F)(F)F)Oc2cc(C)ccc2NC1=O,4030924,18,2.7038,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCC(C(=O)NC(C(=O)OCC(=O)c2ccc(Br)cc2)C(C)C)CC1,3277471,18,4.1421,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCC(C(=O)NC(C(=O)OCC(=O)c2ccccc2)C(C)C)CC1,4026339,18,3.3796,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1)c1cc(O)c(O)c(O)c1,3589471,18,4.1764,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(C2Oc3cc(O)cc(O)c3CC2O)cc2c(C3Oc4cc(O)cc(O)c4CC3O)cc(O)c(O)c2c1O,4263901,18,2.2134,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Cl)ccc1OC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1,3590295,18,4.7984,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1,3601285,18,5.1434,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(SC(C)C(=O)NC3CCCc4ccccc43)[nH]c2c1,4883286,18,4.5457,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=S)NNC1=c2cc(F)ccc2=NC1=O,5295055,18,-1.5685,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=S)NNC1=c2cc(F)c(F)cc2=NC1=O,5400105,18,-1.4294,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(NCCc1cn2ccccc2n1)c1ccc(F)c(C(F)(F)F)c1,5310551,18,3.0132,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1/C=C/c1nc(C#N)c(N(C)C)o1,5742152,18,2.7913,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C2/N=C(C3CCCCC3)OC2=O)cc(OC)c1OC,5953249,18,3.5889,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C[C@H](N)c1nnc(S(=O)(=O)Cc2ccc(F)cc2)o1,6603233,18,2.6503,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n3cc(CCCN=C(N)[NH3+])nn3)CC2)nc(N2CCN(C(=O)[C@H](CCCC[NH3+])n3cc(CCCC)nn3)CC2)n1,9549887,18,-3.7766,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)Cn3cc(CCCN=C(N)[NH3+])nn3)CC2)nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n3cc(CCCN=C(N)[NH3+])nn3)CC2)n1,9549915,18,-6.5833,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(F)cc1)N1CCn2c(nc3ccccc32)C1,9551282,18,2.3799,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc(NN/C=C2/C=CC(=O)C([N+](=O)[O-])=C2)n1,9552011,18,1.5514,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C=C/C(=C/NNc2nccs2)C=C1[N+](=O)[O-],9552014,18,1.243,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)N1C2C=C(C)[C@@H]2[C@@H]2CC(=O)N21,11840212,18,0.9191,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)N1[C@@H]2C=C(C)[C@@H]2[C@@H]2[C@@H](C)C(=O)N21,11895676,18,1.1651,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)N=C(N)NC(Nc2ccc(Br)cc2)=N1,11948732,18,2.4489,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC1=NC2(CCCCC2)N=C(Nc2ccc(Br)cc2)N1,15945215,18,3.2171,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,15940196,18,3.1732,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,Imatinib,4,4.5903,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)Oc2ccccc21)NCc1ccco1,15944779,18,3.5016,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1cccc(NC(=O)CCCN2C(=O)COc3ccc(C)cc32)c1,16011590,18,3.3419,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(-c2[nH]c(SCC(=O)Nc3ccc(Cl)cc3)nc(=O)c2C#N)cc1,16014979,18,4.9903,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2onc(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c2c1,16017681,18,3.1666,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2ccc3cc(C(=O)Nc4ccc(C)c(F)c4)[nH]c3c2n1,16023384,18,4.7243,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc2nc(COC(=O)CNC(=O)c3ccccc3Cl)cc(=O)n12,16026774,18,2.191,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCc2ccccc2Cl)CC1,16030661,18,4.3253,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc2ccccc2n1CCCCn1c(N)nc2ccccc21,ZINC03136738,15,3.0308,Shoichet Lab In House Data - Allison Doak
+[O-]/C(=N\c1nc(-c2cccc(Br)c2)cs1)Oc1ccccc1,ZINC937394,16,3.9994,"Jadhav A et al, J Med Chem, 53, 37-51 (2010)"
+O=S(=O)([O-])c1cc(Br)ccc1N=Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(Br)cc3S(=O)(=O)[O-])c(O)c2c1O,NoName,7,4.2232,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+O=S(=O)(O)c1cc(Br)ccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(Br)cc3S(=O)(=O)O)c(O)c2c1O,2_17,1,5.5936,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+CCCCCCC(Oc1ccc(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1)C(=O)O,2-[4-(4-Benzyloxy-benzenesulfonyl)-phenoxy]-octanoic_acid_NoName_NoName,7,5.9008,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+CCCCCCC(Oc1ccc(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1)C(=O)O,2_19,1,5.9008,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+O=C(O)COc1ccc(N=Nc2ccc3cc(Br)ccc3c2O)cc1,NoName,7,5.1867,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+O=C(O)COc1ccc(N=Nc2ccc3cc(Br)ccc3c2O)cc1,2_18_3,1,5.1867,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+C(=C1c2ccccc2-c2ccccc21)C1CCCNC1,3-(fluoren-9-ylidenemethyl)piperidine,7,4.0983,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+C(=C1c2ccccc2-c2ccccc21)C1CCCNC1,2_20,1,4.0983,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+CC(C)(C)c1cc(C=C2C(=O)Nc3ncccc32)cc(C(C)(C)C)c1O,"(3E)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one",7,4.8749,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+CC(C)(C)c1cc(/C=C2/C(=O)Nc3ncccc32)cc(C(C)(C)C)c1O,2_11,1,4.8749,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+O=C1Nc2ccccc2C1=Cc1ccc(-c2cccs2)s1,(3Z)-3-[(5-thiophen-2-ylthiophen-2-yl)methylidene]-1H-indol-2-one,7,4.9693,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+O=C1Nc2ccccc2C1=Cc1ccc(-c2cccs2)s1,2_10,1,4.9693,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+COC1CCC2(C)C(CCC3C4CCC(NCCN)C4(C)CC(O)C32)C1,"(5S,10S,11S,13S,17S)-17-(2-aminoethylamino)-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-ol",7,2.9318,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+COC1CC[C@@]2(C)C3C(CC[C@@H]2C1)C1CC[C@@H](NCCN)[C@]1(C)C[C@H]3O,2_09,1,2.9318,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+CC(C)CC(Oc1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)c2)cc1)C(=O)O,"2-[4-[2,6-bis(4-chlorophenyl)pyridine-4-carbonyl]oxyphenoxy]-4-methylpentanoic_acid",7,7.8197,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+CC(C)CC(Oc1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)c2)cc1)C(=O)O,2_05,1,7.8197,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+O=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=NNc1ccc2ccccc2c1O,Superchrome_Blue_BC,7,2.8304,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+O=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=NNc1c(O)ccc2ccccc12,palatine_chrome_black,7,2.8304,"McGovern SL, Caselli E, Grigorieff N and Shoichet BK, J Med Chem, 45, 1712-1722 (2002)"
+O=C1[C@@H]2[C@H](C(=O)N1[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl,MFCD00225114,9,4.8699,"McGovern SL, Helfand, BT, Feng, B and Shoichet BK, J Med Chem, 46, 4265-4272 (2003)"
+O=C1C2C(C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,1_11,1,4.2766,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+O=C1OC(=CNc2ccc(Oc3ccccc3)cc2)c2ccccc21,MFCD00139657,9,5.0598,"McGovern SL, Helfand, BT, Feng, B and Shoichet BK, J Med Chem, 46, 4265-4272 (2003)"
+O=C1OC(=CNc2ccc(Oc3ccccc3)cc2)c2ccccc21,1_03,1,5.0598,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,L-755_507,5,4.4668,"Coan KED and Shoichet BK, J.Am.Chem.Soc, 130, 9606-9612 (2008)"
+CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNCC(O)COc3ccc(O)cc3)cc2)cc1,NCGC00092331-01,2,4.4668,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1C(I)=CC(=C(c2cc(I)c([O-])c(I)c2)c2ccccc2C(=O)[O-])C=C1I,TIPT,5,4.3553,"Coan KED and Shoichet BK, J.Am.Chem.Soc, 130, 9606-9612 (2008)"
+O=C1C(I)=CC(=C(c2cc(I)c(O)c(I)c2)c2ccccc2C(=O)O)C=C1I,1_08,1,6.322,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1,Meclizine,4,5.5556,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1,Manidipine,4,4.953,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1,Nicardipine,1,3.6778,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,Celecoxib,4,3.5139,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+CC(CN(C)Cc1ccccc1)OC(=O)C1COc2ccccc2O1,NCGC00085881-01,2,2.8901,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCN(C)Cc1c(C)nc2ccc(OCC)cc2c1O,NCGC00085832-01,2,3.8794,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc2nc(C)cc(O)c2c1,NCGC00085031-01,2,2.6475,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cc(NC(=O)C2CCC(C/N=c3/c(N4CCCCC4)c(O)c3=O)CC2)cc(OC)c1,NCGC00085816-01,2,2.9813,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccccc1NC(=O)C1CCC(C/N=c2/c(N3CCOCC3)c(O)c2=O)CC1,NCGC00085565-01,2,2.2091,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(c1ccc(NC2=NC3CS(=O)(=O)CC3S2)cc1)N1CCN(C(=O)c2ccco2)CC1,NCGC00085790-01,2,1.5581,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(NC3=NC4CS(=O)(=O)CC4S3)c2)CC1,NCGC00085788-01,2,2.4356,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C)cc1NC(=O)c1cc2c(CO)cnc(C)c2oc1=N,NCGC00085784-01,2,2.6773,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(NCc2ccccc2Cl)nc2ccccc21,NCGC00085665-01,2,3.8388,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CN(C(=O)Nc2ccc3snnc3c2)c2ccccc21,NCGC00085639-01,2,3.8469,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2,NCGC00085556-01,2,2.074,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(-c2cc(N)nn2C(=O)Nc2ccc(Cl)cc2)c1,NCGC00085485-01,2,3.8745,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(OC)c(CN2C(=O)c3ccccc3C2C(=O)NCc2cccnc2)c1,NCGC00085455-01,2,3.1123,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCc1cccnc1)C1c2ccccc2C(=O)N1C1CCCC1,NCGC00085453-01,2,2.8375,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1cccc2cccnc12,NCGC00085384-01,2,3.0844,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Fc1ccccc1N1CCN(CCCNc2ccc3nncn3n2)CC1,NCGC00085270-01,2,1.8876,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+c1ccc(CCNc2ccc3nncn3n2)cc1,NCGC00085268-01,2,1.7789,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(-c2cc(CCCC(=O)NCc3ccccn3)no2)cc1,NCGC00085073-01,2,3.3843,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COC(=O)c1nc2n(n1)C(c1cccc(Cl)c1)C1=C(O)CC(C)(C)CC1=N2,NCGC00085009-01,2,4.0257,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COC(=O)c1nc2n(n1)C(c1cccc(Cl)c1)C1=C(O)CCCC1=N2,NCGC00085007-01,2,3.3896,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)C1=C(C)Nc2ncnn2C1c1cccc(OCc2ccccc2)c1,NCGC00084995-01,2,3.735,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCC1,NCGC00084987-01,2,4.2654,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nn(Cc2nc(-c3cccs3)no2)c(C)c1Br,NCGC00084960-01,2,3.4222,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(NS(=O)(=O)c2nc3nc(C)cc(C)n3n2)c1,NCGC00084924-01,2,1.5505,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(C)n2nc(S(=O)(=O)NCCc3ccccc3)nc2n1,NCGC00084858-01,2,1.2621,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+NC(=O)CN1CCN(C(=O)NC2CCCCC2)CC1,NCGC00084918-01,2,0.1316,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccccc1CSc1nnc(C)c(O)n1,NCGC00084897-01,2,2.4863,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(c1cnn2ccccc12)N(Cc1ccco1)C1CCCC1,NCGC00084786-01,2,3.5123,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(c1cnn2ccccc12)N1CCCc2ccccc21,NCGC00084780-01,2,2.9273,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+C=CCn1c(=O)n(CCOC)c(=O)c2sc3ccccc3c21,NCGC00084754-01,2,2.2103,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(O)nc(SCc2cc(=O)n3nc(C)sc3n2)n1,NCGC00084752-01,2,1.5557,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nn2c(=O)cc(CSc3nc4ccccc4[nH]3)nc2s1,NCGC00084750-01,2,2.628,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ncc(Br)s1)C(Cc1ccccc1)n1cccc1,NCGC00082675-01,2,4.1296,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(O)ccc1Nc1nc2ccccc2nc1Nc1ccc(O)cc1C,NCGC00079054-01,2,5.145,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCOc1ccc(-c2c(C#N)c(N)nc(SCC(N)=O)c2C#N)cc1,NCGC00064401-01,2,2.8305,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(C)cc(NS(=O)(=O)c2ccc3ncc(C(=O)NCc4ccco4)c(O)c3c2)c1,NCGC00048008-01,2,3.881,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1NCc1ccco1,NCGC00040782-01,2,2.8476,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(NC(=O)CSc2ncnc3sc4c(c23)CCC(C)C4)no1,NCGC00039650-01,2,3.8433,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#Cc1c(NC(=O)CSc2ncnc3sccc23)oc(-c2ccco2)c1-c1ccco1,NCGC00037161-01,2,5.4068,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CS/C(=N\C(=O)CSc1nc2ccccc2s1)NS(=O)(=O)c1cccs1,NCGC00036554-01,2,3.674,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Nc1nc2ccc(S(=O)(=O)c3ccc4nc(N)sc4c3)cc2s1,NCGC00032063-01,2,2.9032,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1c(C(=O)N2CCc3ccccc3C2)cc2sccc21)c1ccccc1,NCGC00029554-01,2,4.7842,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O,NCGC00025359-01,2,4.3131,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O,NCGC00017248-01,2,4.3131,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(O)cc1,NCGC00025010-01,2,7.4764,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCCCCC/C=C\CCCCCCCC(=O)NCCc1ccc(O)c(O)c1,NCGC00015765-01,2,6.794,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1,Ceritinib,19,6.3619,Shoichet Lab In House Data - Parnian Lak
+Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65,NCGC00162454-01,18,5.081,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C,NCGC00162440-01,18,6.7847,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)N(CCO)c2ccccc2CN(C)C/C=C/c2ccc(Cl)cc2)cc1,NCGC00162399-01,18,4.6814,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1C[C@@H]([NH3+])[C@H](O)[C@H](C)O1,NCGC00161611-01,18,-0.7155,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O,NCGC00161416-01,18,5.1055,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@H]1C=CCC(=O)NCc2cccc(c2)CNC(=O)N[C@H]1c1ccccc1,NCGC00161391-01,18,3.4393,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+FC(F)(F)c1cc(NC(=S)Nc2ccc3cc4ccccc4cc3c2)cc(C(F)(F)F)c1,NCGC00161131-01,18,7.8395,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(=C\C[Si](C)(C)C)CC[C@H](O)C1=CCCCC1=O,NCGC00161115-01,18,4.0914,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC12C=C(/C=C/c3ccc(Br)cc3)C(C)(C1)[C@H](c1ccc(Br)cc1)CC2=O,NCGC00161061-01,18,7.3241,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CO[C@@H](CCOCc1ccccc1)C[C@H]1O[C@H](C(=O)OC(C)C)C=C[C@@H]1C,NCGC00160979-01,18,3.9097,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@@H]1Oc2ccccc2C=C1/C=C/C(=O)O,NCGC00160318-01,18,2.4917,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1[nH]c(-c2ccccc2O)nc2ccccc12,NCGC00160209-01,18,2.2957,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/c2cc(OC)c(OC)cc2CC[N+](C)(C)C)cc1,NCGC00160197-01,18,4.1315,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CC(C)(C)c1c2c(c(O)c3c(=O)c4ccc(O)c(O)c4oc13)C=CC(C)(C)O2,NCGC00160168-01,18,4.7108,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc([S+](=O)([O-])N2CCC(=O)N(C(COC(=O)Nc3ccccc3)Cc3ccccc3)CC2)cc1,NCGC00159979-01,18,4.2931,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+FC(F)(F)c1ccc(-c2noc(-c3ccccc3)c2I)cc1,NCGC00159938-01,18,5.632,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-c1[se]c2ccccc2c1I,NCGC00159926-01,18,4.177,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1-c1ccc(C(=O)O)s1,NCGC00159924-01,18,3.512,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(=O)OCCN2CCN(Cc3ccccc3)CCC2=O)c1,NCGC00159900-01,18,3.5864,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccccc1)c1cccc(Br)n1,NCGC00159672-01,18,2.8166,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OCc1ccc(-c2ccc(-c3ccc(CO)s3)o2)s1,NCGC00159570-01,18,3.7212,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21,NCGC00159551-01,18,3.7378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C=O,NCGC00159546-01,18,0.2425,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(NC[C@H]2CC[C@H](CN[S+](=O)([O-])c3cccc4ccccc34)CC2)nc2ccccc12,NCGC00159542-01,18,4.7771,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc([C@H]2CN3CCC[C@H]3c3ccccc32)cc1,NCGC00159540-01,18,4.6909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)[S+](=O)([O-])c1ccc(N)cc1,NCGC00159461-02,18,2.6179,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12,NCGC00159347-02,18,3.9686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cc(-c2ccccc2O)oc2ccc3ccccc3c12,NCGC00142435-01,18,4.3188,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@H]1C2=C3[C@@H](C[C@H]4C(=O)N(c5ccccc5)C(=O)[C@H]4[C@H]3[C@@]3(Cc4ccccc4)/C(=N/CCc4c[nH]c5ccccc45)OC(=O)N3C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21,NCGC00142074-01,18,6.2768,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)cc1,NCGC00141196-01,18,4.1701,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1NC(=O)c1c(NCc2cccs2)sc2c1CCC(C)C2,NCGC00140697-01,18,6.4608,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2=NN(CC(=O)NCCC(C)C)C(=O)CC2)cc1,NCGC00140296-01,18,2.4838,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CN(CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)CC(C)C,NCGC00140179-01,18,2.2665,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1cccc(C(F)(F)F)c1)n1c(/C=C/c2ccccc2)nc2ccccc21,NCGC00139418-01,18,5.4625,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(-c2ccno2)ccc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1,NCGC00137967-01,18,3.5145,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)Nc2ccccc2F)sc2ncnc(N(C)C3CCCCC3)c12,NCGC00137738-01,18,5.16,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)c(C(=O)O)c1)c1ccc(F)cc1,NCGC00137640-01,18,4.6306,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)C1=C(c2cccc([N+](=O)[O-])c2)N(C(C)=O)n2c(nnc2-c2ccc(C)cc2)S1,NCGC00137268-01,18,3.7097,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(C(c2sc3nc(-c4ccco4)nn3c2O)N2CCN(c3cccc(Cl)c3)CC2)cc1,NCGC00137248-01,18,5.2296,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)c1c[nH]c2ccccc12,NCGC00136766-01,18,2.9257,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1ccccc1)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1,NCGC00136683-01,18,4.7454,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(Oc5ccccc5)cc4)n3n2)cc1,NCGC00136263-01,18,5.0795,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccc(Cl)cc1)C(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(Cl)cc1,NCGC00136157-01,18,4.0025,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1ccc2cc(S(=O)(=O)NCc3ccc(Br)cc3)ccc2[nH]1,NCGC00135211-01,18,2.7691,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2cc(C(=O)Oc3cccc(C)c3)c3ccccc3c2=O)cc1,NCGC00134728-01,18,4.8267,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1c2ccccc2-n2cccc2C12CCN(C(=O)Nc1ccccc1Br)CC2,NCGC00133871-01,18,5.6029,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-c2nnc(SCc3cc(=O)c4c(C)cc(C)cc4[nH]3)[nH]2)c1,NCGC00133724-01,18,4.5308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(F)cc3)C2)c1,NCGC00133162-01,18,6.3145,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CC5)o4)cc3)CC2)c1C,NCGC00131045-01,18,4.3467,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1C(=O)OCc1cc(=O)n2nc(C3CC3)sc2n1)c1cccc(Cl)c1,NCGC00130706-01,18,4.2911,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2n[nH]c3c2cnc2cc(OC)c(OC)cc23)cc1,NCGC00130569-01,18,3.8039,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(Cc4nc(-c5ccccc5)oc4C)c32)cc1,NCGC00130267-01,18,5.3782,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C2=C(C)C(N3CCC(C(=O)Nc4ccc(F)cc4)CC3)=NS2(=O)=O)cc1,NCGC00129232-01,18,4.2117,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2ccnc(NCCc3ccc(S(N)(=O)=O)cc3)c2=O)cc1Cl,NCGC00128879-01,18,2.1965,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1cc2nc(SCc3cc(C)ccc3C)n(CCc3ccccc3)c(=O)c2n1,NCGC00128295-01,18,4.7647,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)Nc2c[nH]c(=O)[nH]c2=O)c(Cl)c1,NCGC00127814-01,18,1.669,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Nc2ncnc3onc(-c4ccc(Cl)cc4)c23)c1C,NCGC00126380-01,18,5.2986,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O,NCGC00126254-01,18,3.5278,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2nc3c(N4CCC(C(=O)NCc5cccc(F)c5)CC4)nnc(C)c3c2C)cc1,NCGC00126015-01,18,4.1128,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N(C)c2nc3ccc(C)cc3n3nnnc23)c1,NCGC00125266-01,18,3.0572,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Cn2c(=O)n(Cc3ccccc3)c(=O)c3c2c2cc(C)ccc2n3C)c1,NCGC00125003-01,18,4.3683,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C)cc1-n1nnc(-c2nc(-c3ccccc3Cl)no2)c1N,NCGC00123408-01,18,3.5369,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(OC(F)(F)F)cc4)nn23)cc1,NCGC00122919-01,18,3.5831,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2c(CN3CCN(c4cc(C)ccc4C)CC3)csc2C)cc1,NCGC00122557-01,18,5.971,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(SCc2nc(-c3ccc(OC)cc3)oc2C)c2cc3sccc3n12,NCGC00122303-01,18,5.7707,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC(C)(C)O4)c1,NCGC00122264-01,18,5.2997,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(SCC(=O)Nc2ccc(Cl)cc2F)c2cc3occc3n12,NCGC00122203-01,18,4.5612,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN(CC)CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3,NCGC00121066-01,18,3.7347,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1[nH]c(C)c(C(=O)NCCc2ccc(C)cc2)c1C,NCGC00121035-01,18,3.1151,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=C(C)C(NCc3ccc(OC(C)C)cc3)=NS2(=O)=O)cc1,NCGC00120182-01,18,3.7451,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCN(c2ccccc2)CC1,NCGC00120116-01,18,3.2901,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCCN1CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1,NCGC00120072-01,18,5.9668,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(O)c(C2Nc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1,NCGC00119839-01,18,3.924,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N(Cc2cccs2)C(=O)c2ccc(OCC(C)C)cc2)cc1,NCGC00119101-01,18,5.6385,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cc2c(C)nn(-c3nc(C)c(C(=O)N4CCCCC4C)s3)c2C)cc1,NCGC00118226-01,18,5.1679,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2[nH]c(C(=O)Nc3ccccc3)cc2c1,NCGC00117946-01,18,3.7286,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccccc1S(=O)(=O)N1CCCC(c2nc(O)c3nnn(Cc4cccc(Cl)c4)c3n2)C1,NCGC00117009-01,18,3.0686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(Nc2nn(-c3ccc(OC(F)(F)F)cc3)nc2C(C)=O)cc1,NCGC00116626-01,18,4.834,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(c1)C(Cc1nc3ccccc3c(=O)n1-c1ccc(Br)cc1)C(=O)N2,NCGC00116588-01,18,4.735,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCOC(C)C)C3c1ccccc1F,NCGC00116448-01,18,4.9092,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cccc(N)c2)cc1,NCGC00115634-01,18,2.2857,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C(=O)Nc1ccc(C(C)C)cc1)n1nc(C)n2c(cc3cc(C)ccc32)c1=O,NCGC00114433-01,18,4.9792,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(C)c1NC(=O)C1CCN(c2nn3c(=O)cc(C)nc3s2)CC1,NCGC00114124-01,18,3.1853,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1,NCGC00113984-01,18,4.4623,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1cccc(C(=O)N2CCC(c3c[nH]c4ccccc34)(c3c[nH]c4ccccc34)CC2)c1,NCGC00113764-01,18,5.9375,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Br)cc1F)N1CCC2(CC1)Oc1ccccc1C(=O)N2Cc1ccccc1F,NCGC00113547-01,18,5.7863,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc2sc(C)cc2n1Cc1ccc(Br)cc1F,NCGC00113380-01,18,4.7477,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1,NCGC00113030-01,18,3.6542,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(CCNC(=O)c2csc3c2CCCCC3)cc1,NCGC00112550-01,18,4.7114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2nc(NCc3ccccc3Cl)n3nc(-c4cccnc4)nc3c2cc1OC,NCGC00112532-01,18,4.6222,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)cc1NC(=O)N1CCN(C)c2ncccc21,NCGC00112042-01,18,3.5317,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+FC(F)(F)c1cccc(-c2nnn3c2nc(NC2CCCCC2)c2ccccc23)c1,NCGC00111663-01,18,5.7079,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cn2c(=O)cc(COc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nc2s1,NCGC00111432-01,18,5.1932,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2-c2onc3c(NCCO)cc(NC4CCCCC4)c1c23,NCGC00111061-01,18,4.188,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2cc3c(Cl)nc4ccc(C)cc4c3s2)c(Cl)c1,NCGC00110867-01,18,6.6254,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2c(C)nc3cc(-c4ccc(Cl)cc4)nn3c2C)cc1,NCGC00110055-01,18,5.2683,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN(Cc1ccccc1)C(=O)c1oc(=O)c2ccccc2c1-c1ccc(C)cc1,NCGC00108114-01,18,6.2109,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1cccc(-c2nn(-c3ccccc3)c3c2cnc2cc4c(cc23)OCO4)c1,NCGC00108009-01,18,5.7319,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(NC2=C(c3ccccc3)C(=O)c3ccccc32)c1,NCGC00107480-01,18,4.8805,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccccc1)c1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c3nncn3c2c1,NCGC00107044-01,18,3.9742,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(Br)s2)cc1,NCGC00106862-01,18,4.2156,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCc1ccccc1)c1cc(-c2ccccc2)nc2n[nH]c(-c3ccccc3)c12,NCGC00105220-01,18,5.2644,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)C(C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1,NCGC00104031-01,18,4.8802,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1Nc1nc(N)nc(N)c1S(=O)(=O)c1ccccc1,NCGC00103264-01,18,2.226,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1ccc(Cl)cc1)c1cccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1,NCGC00102590-01,18,5.2804,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4C)cc3n2)c(C)c1,NCGC00102527-01,18,5.4443,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc(-c2cn3cc(Cc4ccccc4)sc3n2)cc1,NCGC00102136-01,18,5.4161,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Br)c2c1-c1nc(NC(=O)c3ccccc3SC)sc1C2,NCGC00101697-01,18,5.4596,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C2=C(Nc3ccccc3SC2c2ccccc2C(F)(F)F)c2ccccc21,NCGC00101261-01,18,6.5719,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(OCc2nc3ccccc3n2CCOc2ccccc2)cc1,NCGC00101162-01,18,5.9918,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OC(C(=O)Nc2cccc(Br)c2)Cc2ccccc21,NCGC00100952-01,18,3.1693,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNCCC(c2ccc(C)cc2)c2ccco2)cc1,NCGC00100863-01,18,4.9084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1cccc(-c2cnn3c(-c4ccccc4)cc(-c4ccccc4)nc23)c1,NCGC00100443-01,18,6.4928,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2C=C(c3ccc(Cl)c(Cl)c3)Nc3ncnn32)cc1,NCGC00100244-01,18,4.6495,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1,NCGC00100015-01,18,5.8788,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCSc1nnc2c(n1)[nH]c1c(C)cccc12,NCGC00099900-01,18,4.0968,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC2=NC(=O)CC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)S2)cc1,NCGC00099821-01,18,5.1059,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(c2ccc(Br)cc2)c2c(ccc3ccccc23)N1,NCGC00099779-01,18,5.0764,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2oc3ncn4nc(COc5c(C)cccc5C)nc4c3c2-c2ccc(OC)cc2)cc1,NCGC00099316-01,18,6.4175,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc3c(c(Nc4ccc(C)c(C)c4)c2c1)CCC3,NCGC00099020-01,18,5.3924,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1cccc(F)c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1,NCGC00098356-01,18,6.273,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)Cc1c(NC(=O)c2ccc(OC)cc2)sc2c1CCCC2,NCGC00098158-01,18,4.7296,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\N1CCNC1=S)C(=O)c1ccc2ccccc2c1,NCGC00098071-01,18,2.6201,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)/C(=C\c1ccccc1F)C(=O)c1ccccc1,NCGC00098050-01,18,3.681,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2cc3ccc4ccccc4c3cc12,NCGC00098006-01,18,5.4546,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(N=Cc2c(CO)cnc(C)c2[O-])c(N=Cc2c(CO)cnc(C)c2[O-])cc1C,NCGC00097901-01,18,2.8334,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Cl)ccc1Nc1sc(C(=O)c2cc3cc(Cl)ccc3o2)c(N)c1C#N,NCGC00097803-01,18,6.538,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=c1sc2ccccc2n1CC[S-].c1ccc2c(c1)sc1[n+]2CCS1,NCGC00097427-01,18,4.0237,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1c2c(ccc3ccccc23)Oc2ccc3ccccc3c21,NCGC00097390-01,18,7.0307,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=N)c2ccccc2Cc2cccc3ccccc23)c2ccccc12,NCGC00097143-01,18,7.3084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(CCC(=O)NN)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C,NCGC00096914-01,18,4.4124,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(Cc2cc(C)cc(C(C)(C)C)c2O)c1,NCGC00096847-01,18,7.5053,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@H](C(=O)c1ccncc1)c1ccccn1,NCGC00096622-01,18,2.463,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(O)c1cc(/N=[N+](\[O-])c2cc(S(=O)(=O)O)c3ccccc3c2)cc2ccccc12,NCGC00096545-01,18,4.4121,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)CCN(C)C)c2ccccc12,NCGC00096443-01,18,2.9828,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1c(C(O)(c2ccccc2)c2ccc3ccccc3c2O)ccc2ccccc12,NCGC00096297-01,18,5.6884,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(SCC(=O)c2ccc(Br)cc2)cc(C)[o+]1,NCGC00096153-01,18,4.915,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CCc2cc3c(cc2C1O)OCO3,NCGC00095862-01,18,1.3159,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(N)[C@H](O)c1ccccc1,NCGC00095781-01,18,1.0672,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C,NCGC00095730-03,18,5.089,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1cc(OC(=O)c2ccccc2)c2c(c1)OC(c1ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c1)[C@@H](OC(=O)c1ccccc1)C2)c1ccccc1,NCGC00095724-01,18,9.4652,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1nc2cc(Cl)c(Cl)cc2nc1O,NCGC00095336-01,18,2.3478,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,NCGC00095190-01,18,4.5129,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C1C=CC(=C(c2cccc(N)c2)c2cccc(N)c2)C=C1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,NCGC00095100-01,18,8.1901,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C=C(/C)C(=O)OC1[C@H](OC(C)=O)[C@@]2(CO)C(O)C[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(OC6OC(C(=O)O)[C@@H](O[C@@H]7OC(CO)C(O)C(O)C7O)C(O)[C@H]6O[C@@H]6OC(CO)C(O)C(O)C6O)[C@](C)(CO)C5CC[C@@]43C)C2CC1(C)C,NCGC00095094-01,18,-1.3211,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1,NCGC00095016-01,18,7.0036,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12,NCGC00094881-01,18,3.1418,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[n+]1c2cc(N)ccc2cc2ccc(N)cc21,NCGC00094813-01,18,-1.0141,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CC1NC(=O)C(CCCN)NC(=O)C(C(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC1=O,NCGC00094807-01,18,0.8111,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc(/N=N/c2ccccc2)c(N)n1,NCGC00094755-01,18,3.0832,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O,NCGC00094585-01,18,6.0228,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O,NCGC00094505-01,18,0.3866,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@]12C=CC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)[C@@H](C(=O)CN3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)CC[C@@H]12.O=C(O)/C=C\C(=O)O,NCGC00094461-01,18,4.9241,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CCc2c(cc(O)c(O)c2Cl)C(c2cccc(Cl)c2)C1,NCGC00094387-01,18,4.6023,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2,NCGC00094279-01,18,2.6365,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O,NCGC00094257-01,18,0.6006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1,NCGC00094113-01,18,3.6796,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S1(=O)N(CCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c2cccc3c2N1CCC3,NCGC00094014-01,18,3.9137,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C(O)C(=O)O)ccc1O,NCGC00093978-01,18,0.5188,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N[C@@H](Cc1c[nH]cn1)C(=O)O,NCGC00093950-01,18,-0.2141,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CC5CCC4C5)ncnc32)[C@H](O)[C@@H]1O,NCGC00093896-01,18,0.0383,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCCCCCC/C=C\C(C)(C)/C=C\CCCC(=O)O,NCGC00093876-01,18,7.3008,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCCC1,NCGC00093866-01,18,5.5879,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C=C1\C(=O)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C,NCGC00093854-02,18,4.6436,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,NCGC00093656-01,18,-0.4571,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(O)C(=O)CC2(C)C)C(C)(C)CC(=O)C1O,NCGC00093633-01,18,8.9054,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1onc(OCP(=O)(O)O)c1CC(N)C(=O)O,NCGC00093594-01,18,0.4405,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N[C@@H](CCCC(=O)O)C(=O)O,NCGC00093593-01,18,-0.3468,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+[N-]=[N+]=Nc1ccc(C(=O)CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)cc1,NCGC00093547-01,18,0.422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(N)(Cc1ccc(O)cc1)C(=O)O,NCGC00093528-01,18,0.7367,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(C(=O)NC2CCCCC2)sc2nc3ccc(N)cc3n12,NCGC00092391-01,18,3.9239,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccncc2)s1,NCGC00092379-01,18,5.6047,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(Br)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1,NCGC00092367-01,18,7.6154,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCN(C(=O)CCCCCN1C(=O)NC(c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)C(C(=O)NCCCC)c1ccc(-c2ccccc2)cc1,NCGC00092141-01,18,11.7312,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)[C@@]1(C)C[C@@H]1[C@@H](NC(=O)[C@@]1(C)C[C@@H]1[C@@H](NC(=O)[C@@]1(C)C[C@@H]1[C@@H](NC(=O)[C@@]1(C)C[C@@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1,NCGC00092040-01,18,9.5044,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1,NCGC00091585-03,18,5.7717,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,NCGC00091540-02,18,1.8872,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1cc2cc(c1)C[n+]1ccc(c3ccccc31)NCc1ccc(cc1)CNc1cc[n+](c3ccccc13)C2,NCGC00025372-01,18,4.7994,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)C(=O)N=C2C1=C(O)C(=O)c1ccccc12,NCGC00025361-01,18,2.0505,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c(=O)[nH]c2nc(-c3ccc([S+](=O)([O-])O)cc3)[nH]c2c1=O,NCGC00025344-01,18,0.9517,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c(=O)c(C)cn2nc(N)nc12,NCGC00025306-01,18,0.1916,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=NN=C(c2ccc(N)cc2)c2cc3c(cc2C1)OCO3,NCGC00025169-01,18,2.7669,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1C#Cc1ccccc1,NCGC00025137-01,18,5.1575,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21,NCGC00025128-01,18,3.2173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(=O)O,NCGC00025064-02,18,5.5298,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CNc2ccc3nc(-c4ccc(N)cc4)c(OC)n3n2)c1,NCGC00024779-01,18,3.6078,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cccc(Cl)c1N=C1NCCN1,NCGC00024734-01,18,2.1737,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12,NCGC00024711-01,18,7.5057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C(=O)O)NCCc2cc(O)c(O)cc21,NCGC00024700-01,18,0.5433,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,NCGC00022848-07,18,1.7816,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1,NCGC00021808-04,18,5.6026,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(CN2CC[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)cc1,NCGC00011354-01,18,3.2796,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(-c2nc(-n3ccnc3)c3ccccc3n2)cc1,NCGC00011314-01,18,3.5485,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2ccc(N3CC4(CCNCC4)C3)cc2)cc1,NCGC00010761-01,18,3.5434,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1CN1CCC2(CCNCC2)CC1,NCGC00010687-01,18,2.6608,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(/C=C(/C#N)c2ccc(F)cc2)c1OCc1cccc(C(=O)O)c1,MLS000862617-01,18,5.1757,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(O)c2c(=O)n(-c3ccccc3)c(-c3ccccc3)cc2oc1=O,MLS000756227-01,18,3.6249,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC12CCC(C(=O)NCc3ccccc3Cl)(C(Br)C1=O)C2(C)C,MLS000756159-01,18,4.1151,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(CC(=O)NCc2ccccc2)Sc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1,MLS000724842-01,18,5.6736,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(CSc2ccc3nnc(-c4cccs4)n3n2)cc1,MLS000724808-01,18,4.2842,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(N=C(S)NCCc1ccccc1)C(c1cccs1)N1CCN(C)CC1,MLS000724580-01,18,3.5432,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NN=c1scc(C)n1Cc1ccco1)c1cccc([N+](=O)[O-])c1,MLS000723059-01,18,3.7324,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1ccccc1Cl,MLS000722994-01,18,5.4538,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1cc(Cl)cc(Cl)c1,MLS000722259-01,18,4.4362,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN(CCC)C(=O)Cn1c(=O)c2ccccc2n2c(=S)sc(-c3ccccc3C)c12,MLS000722081-01,18,5.6692,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cc2cc([N+](=O)[O-])ccc2s1,MLS000721975-01,18,4.7652,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1)N1CCCc2ccccc21,MLS000720431-01,18,4.5162,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2cccc(OCC(=O)N3N=C(c4cccs4)CC3c3ccc(F)cc3)c2CCN1Cc1cccnc1,MLS000720298-01,18,5.2374,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)C(C)OC(=O)c2ccccc2NS(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)c1,MLS000707762-01,18,4.5049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(N=Cc2c(C)nn(-c3ccccc3)c2Cl)c1,MLS000707617-01,18,5.6055,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)N=Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1,MLS000705964-01,18,3.1427,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc[n+]2cc(-c3cccc([N+](=O)[O-])c3)c(-c3cccc([N+](=O)[O-])c3)cc2c1,MLS000705909-01,18,1.8881,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc2cc(-c3ccccc3)c(-c3ccccc3)c[n+]12,MLS000705900-01,18,2.0717,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C(=C(\[O-])c1ccccc1)[n+]1ccc2ccccc2c1)c1ccccc1,MLS000705899-01,18,3.6963,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1CCN(CCOC2c3ccccc3CSc3ccc(Cl)cc32)CC1.O=C(O)/C=C\C(=O)O,MLS000705762-01,18,4.0109,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(/C=C\c2nc(O)c3ccccc3n2)c1,MLS000705624-01,18,3.8142,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C)CC(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C(C(=O)O)C1,MLS000705569-01,18,4.6433,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(/C=C/c2ccnc3ccccc23)cc1,MLS000705243-01,18,4.1108,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCc1cccc(C=Nc2cc(Br)ccc2O)c1O,MLS000705174-01,18,4.3394,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)O)cc1NC(=O)CN1C(=O)C2C3c4ccccc4C(Br)(c4ccccc43)C2C1=O,MLS000705116-01,18,4.0305,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1c(N)nc2c(c1O)c(=O)n(C)c(=O)n2C,MLS000705014-01,18,-1.014,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(SC1=NCCS1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,MLS000704968-01,18,1.8871,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(C2C(c3ccccc3)=NN=C(c3ccc(Cl)cc3)N2O)c(O)c1,MLS000704794-01,18,4.3482,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCSc1nnc2nc(O)cc(N)n12,MLS000704563-01,18,2.0845,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccccn1)c1ccc(Br)cc1O,MLS000704465-01,18,3.4458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnc(N(N=C(S)C(=O)Nc3ccccc3)c3ccccc3)n2-c2ccccc2)cc1,MLS000703807-01,18,6.2628,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CCCCC1=NNc1ccc(OCc2ccccc2)cc1,MLS000703090-01,18,4.1766,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c2c(nc3ccc(Br)cc13)N(Cc1ccccc1)CC2,MLS000702769-01,18,4.1422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CC(=O)NC(=S)NNC(=O)COc2c(C)cccc2C)cc1,MLS000702686-01,18,1.9554,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2Nc3c(F)cc(Br)cc3C3C=CCC32)c1OC,MLS000702678-01,18,5.4319,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc(NC(=O)c2ccc(F)cc2)c(CN2CCCCCC2)c1C,MLS000702396-01,18,5.1323,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cc(-c2ccc(C(=N)NO)cc2)[n+](C)c1,MLS000702367-01,18,-1.7534,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(-c2ccc(C=Nn3cnnc3)o2)ccc1Cl,MLS000702322-01,18,3.3821,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-n2nc(C(=O)c3ccco3)cc(-c3nc4ccccc4[nH]3)c2=N)c1,MLS000702081-01,18,4.0275,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(c2ccc(Cl)cc2)N2CCNC2=C1C(=O)Nc1ccccc1,MLS000701945-01,18,3.1094,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1cc(=O)n2ccccc2n1)c1ccccc1,MLS000701914-01,18,1.9137,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1c(O)c(C(C)=NO)c(=O)n(-c2ccccc2)c1-c1ccccc1,MLS000701909-01,18,3.9707,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=NNC(=O)c1ccc(Br)o1)c1ccc(Cl)cc1,MLS000701806-01,18,4.2396,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1nn(C)c(C(=O)Nc2cccc(CC)c2)c1Cl,MLS000701734-01,18,3.8407,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccsc1C(=O)c1sccc1C,MLS000701592-01,18,3.6574,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1c(O)cc(=O)n(-c2ccccc2)c1-c1ccc(Cl)cc1,MLS000701519-01,18,4.0661,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NN=Cc2cc3c(cc2Br)OCO3)s1,MLS000701481-01,18,3.3116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C=NN=Cc2ccc(C)cc2)cc1,MLS000701448-01,18,3.7564,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1occc1C(=O)NNC(=O)COc1ccc(Br)cc1Br,MLS000701415-01,18,2.953,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCC(=O)Nc1ccccc1Cl)NN=C1CCCc2ccccc21,MLS000701383-01,18,3.9155,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(Cl)nc2ccc(Br)cc12,MLS000701141-01,18,2.6279,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1c(Br)cc(C(N)=O)cc1OCc1ccccc1,MLS000700813-01,18,3.1356,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2cc3ccccc3cc2n1C,MLS000700226-01,18,3.0349,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1C(=O)C(=CNc2cc(Cl)ccc2Cl)C(=O)N(CC)C1=O,MLS000700162-01,18,3.1198,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=CC(=O)C=C(C)C1=NOc1ccccc1[N+](=O)[O-],MLS000699914-01,18,2.8049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(N=C(S)NN=C/C=C/c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C,MLS000699783-01,18,3.5987,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)C1NN=C(C(=O)c2ccc(Br)cc2)C1c1cccc(Br)c1,MLS000699641-01,18,3.6789,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1c(Cl)c(O)c(-c2ccccc2)c(=O)n1-c1ccc(F)cc1,MLS000699573-01,18,5.126,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(C)CCCN)c2ncccc2c1Oc1ccccc1.O=C(O)CCC(=O)O,MLS000699434-01,18,4.5108,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+F[B-](F)(F)F.O=[N+]([O-])c1ccc2[nH]c(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)nc2c1,MLS000699299-01,18,8.0488,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)C2(NC(=O)c3ccccn3)CCCCC2)cc1Br,MLS000699263-01,18,4.2239,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(N2CCCC2)c(OC)cc1/C=C1/NC(=S)NC1=O,MLS000699213-01,18,1.6492,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C(S)NN=Cc1ccc(C(F)(F)F)cc1,MLS000699182-01,18,2.4935,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=P(c1ccccc1)(c1ccccc1)N(c1ccccc1)c1ccccc1,MLS000699179-01,18,5.7538,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1=NSC2=NCC(c3ccc(Br)cc3)=NN12,MLS000699172-01,18,4.2631,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cn(Cc2c(C)cc(C)cc2C)nn1,MLS000699090-01,18,2.0383,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C=NNc2nc(O)cc(-c3ccccc3)n2)cc1,MLS000699034-01,18,3.3612,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc2c(c1)C(=O)Cc1ccccc1S2,MLS000698414-01,18,3.1588,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+SC1=Nc2cc(Cl)ccc2Sc2ccccc21,MLS000698392-01,18,4.8127,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1,MLS000698262-01,18,2.1181,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(SCC(=O)NCc2ccccc2Cl)nc(O)c1NC(=O)c1ccccc1F,MLS000697401-01,18,3.2177,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCN1C(=O)/C(=C/c2cccs2)SC1=NS(=O)(=O)c1ccc(F)cc1,MLS000697341-01,18,3.7344,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)/C=C/c1ccc2c(-c3ccccc3)onc2c1,MLS000697283-01,18,3.5926,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)c3ccccc3)CC2)cc1[N+](=O)[O-],MLS000697134-01,18,2.4302,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1C(=O)C(=Nc2ccc(O)cc2)c2c3ccccc3c(O)c3cccc1c23,MLS000697113-01,18,4.5014,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)CCN1C(=O)CC(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C1=O,MLS000697064-01,18,2.1434,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1,MLS000697036-01,18,3.7309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C(=O)COc1ccc(Cl)cc1Cl)c1nnc(C23CC4CC(CC(C4)C2)C3)s1,MLS000696915-01,18,5.3545,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nc(O)c2c(n1)N=C(C)C(=C(O)OC)C2c1cccs1,MLS000696576-01,18,4.0096,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NS(=O)(=O)c1ccc(NC(S)=Nc2nn(Cc3ccc(Cl)cc3Cl)cc2Cl)cc1,MLS000690375-01,18,4.5684,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+SC1=NC(c2cccs2)=CC(c2ccc(Br)cc2)N1,MLS000686560-01,18,4.4818,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Br)cc1)c1ccc(N2C(=O)C3CC=CCC3C2=O)cc1,MLS000683819-01,18,4.157,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1c(N2CCN(c3ccc(F)cc3)CC2)nc(=S)n(Cc2ccccc2)c1C,MLS000680943-01,18,4.6376,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc([N+](=O)[O-])cc1-n1cccc1,MLS000680852-01,18,2.3941,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccc(C)c([N+](=O)[O-])c1,MLS000680627-01,18,3.6294,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Nc2ccccc2[N+](=O)[O-])nc2ccccc12,MLS000680554-01,18,4.195,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(/C=C/c1ccc(OCc2ccccc2)cc1)=NO,MLS000679086-01,18,4.1289,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1ccc(C(=O)Nc2cccc(C)n2)cc1[N+](=O)[O-],MLS000676896-01,18,3.6625,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C=Nn2c(S)nnc2COc2ccccc2)cc1,MLS000676760-01,18,3.094,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1NC(=O)COc1ccccc1C(=O)Nc1ccc(Br)cn1,MLS000666816-01,18,4.7307,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+S=C(Nc1ccc2nsnc2c1)NC1CCCCC1,MLS000666132-01,18,3.3104,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Cl)cc(Cl)c1CN=c1c([N+](=O)[O-])c(O)oc2ccccc12,MLS000665405-01,18,4.7627,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(C)C3=O)c2C)cc1,MLS000663979-01,18,3.9337,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(C=c2sc3nnc(-c4ccccc4C)n3c2=O)cc1,MLS000595394-01,18,3.5203,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CP(=O)(c1ccccc1)c1ccccc1)NN=Cc1cc(Br)cc(Br)c1O,MLS000595208-01,18,4.3814,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NN=C(S)Nc1cccc(C)c1)c1cccc(N)c1,MLS000595188-01,18,3.6991,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)CCC1,MLS000595106-01,18,4.4273,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(NN=Nc2cccc(Br)c2)cc1,MLS000595064-01,18,4.3465,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1cc(Br)cc(Br)c1OC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1,MLS000595019-01,18,5.269,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)NN=c2sc3ccccc3n2C)cc1,MLS000595008-01,18,2.3424,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(N2C(=O)[C@@H]3C(C(=O)C(c4ccccc4)c4ccccc4)=NN[C@@H]3C2=O)cc1,MLS000595003-01,18,2.7767,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)CN1C(c2cccc(Cl)c2)=Nc2ccc(Cl)cc2C1c1ccccc1,MLS000594984-01,18,5.6497,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cccc1CNCCc1ccc(F)cc1,MLS000594551-01,18,2.9183,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1cnc(N(C)C)s1,MLS000594522-01,18,1.4117,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(C2=CSC3=Nc4cccc5cccc(c45)N23)cc1,MLS000594502-01,18,6.0461,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-],MLS000594364-01,18,3.2859,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])CC(=NN=Cc1oc(O)c2ccccc12)Nc1ccc(Cl)cc1,MLS000594353-01,18,3.913,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNCCCOc1ccc(C(C)(C)c2ccccc2)cc1.O=C(O)C(=O)O,MLS000594212-01,18,3.1564,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nnc(Sc2ccc(Cl)cc2[N+](=O)[O-])s1,MLS000592219-01,18,2.8331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1sc(C=NNc2ccccc2)c(Cl)n1Cc1ccccc1,MLS000592128-01,18,4.0575,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CNC(=Nc1cccc(F)c1)SCc1cccc(F)c1,MLS000592110-01,18,3.9564,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1sc(/C(C#N)=C/c2ccc(Cl)c(Cl)c2)nc1-c1ccc(C)cc1,MLS000592000-01,18,6.4479,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=CC(C)(C)n2c(O)c(N=NC(=N)S)c3cc(C)cc1c32,MLS000591646-01,18,4.7556,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ncccc13)C2=O)c1ccc(Cl)cc1,MLS000591633-01,18,4.7285,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)c(C#N)c1C,MLS000591328-01,18,2.3936,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(N=C/C=C/c1ccccc1)c1cc(=O)n(C)c(=O)[nH]1,MLS000591320-01,18,1.5991,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCCCl)Oc1ccc2cc(-c3ccc4ccccc4n3)c(=O)oc2c1,MLS000591251-01,18,4.9326,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1nc2ccccc2s1,MLS000591203-01,18,5.7554,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNC(S)=NN=Cc1cn(CCOc2ccc(OC)cc2)c2ccccc12,MLS000591014-01,18,3.568,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN2CCN(N=Cc3cc(Br)cc(Br)c3O)CC2)c(C)c1,MLS000590889-01,18,4.6857,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)SC1=S,MLS000590763-01,18,4.078,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c(C)csc1=NC(S)=Nc1ccccc1,MLS000590702-01,18,3.7862,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1c(NCc2ccccc2)cc(N2CCc3ccccc3C2)c2nonc12,MLS000590575-01,18,4.3058,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Cc1csc(NC(=O)c2ccc(F)cc2)c1C(=O)O,MLS000590573-01,18,4.0362,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(SC2=NCCS2)C(=O)N1c1ccc(Br)cc1,MLS000590518-01,18,2.917,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc2c(c1)OCCCO2)c1ccc2ccccc2c1O,MLS000590489-01,18,4.6028,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN1C(=O)C2C(c3ccccc3)C=CC(c3ccccc3)C2C1=O)c1cccc(Br)c1,MLS000590338-01,18,4.8325,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC12C(=O)C(CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)C12,MLS000590329-01,18,6.1007,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)c1,MLS000590212-01,18,4.8523,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(N2C(=O)CC(NNc3nc4ccccc4s3)C2=O)cc1,MLS000590167-01,18,3.1073,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(N=C(S)N=Nc2c(O)[nH]c3ccc(Br)cc23)c(=O)n(-c2ccccc2)n1C,MLS000590113-01,18,5.135,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1c(Br)cccc1C=NNc1c(F)c(F)c(F)c(F)c1F,MLS000589922-01,18,4.2962,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(S)=NN=Cc1coc2cc(Cl)ccc2c1=O,MLS000589897-01,18,2.0248,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C=NN2C(=O)c3ccccc3NC2c2ccc(C)cc2)cc1,MLS000589747-01,18,4.904,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1)OC1CCC2CC1CCC2OC(=O)Nc1ccccc1,MLS000589614-01,18,5.4311,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc[n+](CC(=O)c2cccc3ccccc23)c1)c1ccccc1,MLS000589563-01,18,1.2665,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCO/C(O)=C(/C(=O)Nc1ccc(Br)cc1)C1=NC(C)(C)Cc2ccccc21,MLS000589417-01,18,5.0177,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNc1c([N+](=O)[O-])ccc2c1=NC1(CCCCC1)[N+]=2[O-],MLS000589410-01,18,2.0893,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(-c2ccccc2)c(N=Nc2cccc3ccccc23)s1,MLS000589363-01,18,5.9609,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1N1C(=O)CC1(C#N)c1ccc(OCc2ccccc2)cc1,MLS000589169-01,18,4.7298,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCNC(S)=Nc1nc2c(cc1C(=O)OCC)CCCC2,MLS000589165-01,18,2.6639,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccn1CCOc1ccccc1Cl,MLS000589050-01,18,3.4755,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Oc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1,MLS000589032-01,18,3.362,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(CC1CC(COCC(C)C)OC1=O)=NN=C(N)S,MLS000588899-01,18,1.6012,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)N1N=C(c2ccccc2)CC1c1cn(Cc2ccccc2)c2ccccc12,MLS000588878-01,18,5.3872,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC(=NNC(=O)c1ccccc1Br)C(F)(F)F)c1cccs1,MLS000588845-01,18,4.4317,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)C(=NNc1ccc(Cl)cc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1,MLS000588821-01,18,5.6944,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(NS(=O)(=O)c2ccccc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21,MLS000588669-01,18,4.7125,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(Cl)cc1C1=NNC(c2ccc(Cl)cc2)C1,MLS000588654-01,18,4.1377,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2c3c(c(=O)oc2c1)CCCC3,MLS000588650-01,18,5.6995,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2coc3cc4oc(=O)c5ccccc5c4cc23)cc1F,MLS000588648-01,18,5.5071,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2C(=O)C3C(/C=C/c4ccccc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,MLS000588490-01,18,3.8991,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1C(=O)/C(=C2/C(=O)N3c4c(cc(OC(C)=O)cc42)C(C)=CC3(C)C)SC1=S,MLS000588485-01,18,3.7453,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2nc(N3C(=O)/C(=C/c4ccc(Cl)cc4)NC3=S)sc2c1,MLS000588477-01,18,4.6106,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(N3C(=O)C(c4c(O)[nH]c5ccccc45)=NC3=S)sc2c1,MLS000588473-01,18,3.6126,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1ccc(-c2cc(Cl)ccc2Cl)o1,MLS000588323-01,18,5.6745,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(-c2cn3c(n2)-c2ccccc2C3)cc1Cl,MLS000588247-01,18,4.8856,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C(Cl)=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)C(=O)c2ccccc21,MLS000588199-01,18,3.2464,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(=S)N(C2CC2)C(=O)/C1=C/NNc1cccc2ccccc12,MLS000588072-01,18,2.0459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)c2c(nc(NN=Cc3ccc(OC(=O)c4ccco4)cc3)n2Cc2ccc(F)cc2)n(C)c1=O,MLS000588026-01,18,2.8793,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(C(=O)COC(=O)c2cccc(N3C(=O)c4c(C)nc5ccccc5c4C3=O)c2)c1,MLS000587995-01,18,5.0004,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)C(=O)c1ccc(-c2nnc(NCc3ccccc3)c3ccccc23)cc1,MLS000587973-01,18,4.6107,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN1C(=O)NC(=O)/C(=C/C=C/Nc2ccccc2)C1=O,MLS000587899-01,18,2.4171,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C/N(C(=O)c2ccco2)c2ccc(Cl)cc2)Sc2ccccc21,MLS000587846-01,18,5.4098,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(CNc1ccc([N+](=O)[O-])c2cccnc12)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],MLS000587757-01,18,4.8907,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(C=NNc1nncc(O)n1)=C\c1ccccc1,MLS000587615-01,18,2.0784,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1nc2sc3c(=O)n(N)cnc3c2c2c1CCCC2,MLS000587326-01,18,2.9414,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C2=O)c1,MLS000587284-01,18,4.4139,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1)c1ccc(Br)cc1,MLS000587180-01,18,5.2288,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCC(NC(=O)c2ccc(NC(=O)c3ccc(O)nc3)cc2)CC1,MLS000587009-01,18,3.348,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Nc2cc(C)c3c(O)cccc3n2)c1C,MLS000586980-01,18,4.6093,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(NC(=O)C(C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1,MLS000586890-01,18,5.759,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)oc2c1,MLS000586827-01,18,4.1254,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2/C(=C(\O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1OC,MLS000586749-01,18,5.7182,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1nc(-c2ccc(F)cc2)nc2c1sc(=S)n2-c1ccccc1,MLS000586707-01,18,4.7232,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(c1cccc(C)c1)C(C(=O)Nc1ccc(OC)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2,MLS000586312-01,18,4.8468,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)N1C(N)=C(C#N)C(c2cccc3ccccc23)C2=C1CC(c1ccccc1)CC2=O,MLS000586197-01,18,4.8103,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=NCCc1c(C)[nH]c2ccc(C)cc12)C1=C(O)CC(c2ccccc2)CC1=O,MLS000586179-01,18,6.137,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)CC(NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O)c1cccc([N+](=O)[O-])c1,MLS000586137-01,18,4.4323,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1nc(NC(=O)NC(=O)c2ccccc2)nc(-c2ccccc2)n1,MLS000586135-01,18,2.8992,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(-c2cn(-c3cccc(SC)c3)c(O)n2)cc1,MLS000586001-01,18,4.3655,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1Nc1ncnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c12,MLS000585979-01,18,4.8259,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1nn(-c2ccc(F)cc2)c(O)c1C=Nc1cccc(F)c1,MLS000585945-01,18,4.5592,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N=Nc2ccc(O)c3ncccc23)cc1,MLS000585898-01,18,4.6642,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(C=Nc2sc3c(c2C#N)C2CCN3CC2)c(O)c1,MLS000585855-01,18,4.6196,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(C(C)(C)C)cc1,MLS000585785-01,18,4.7726,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)Oc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)c1,MLS000585763-01,18,4.5684,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNc1c(Br)cc(Br)cc1Br)NN=C1CCCCC1,MLS000585739-01,18,4.8223,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(N=C/C=C/c1ccccc1)C1=NS(=O)(=O)c2ccccc21,MLS000585612-01,18,2.7665,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(N2C(=O)c3cc(N4CCOCC4)c([N+](=O)[O-])cc3C2=O)cc1,MLS000584860-01,18,2.7944,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C\c2cccs2)Sc2ccc3ccccc3c21,MLS000584663-01,18,5.2308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C2CC=CCC2C(=O)N1c1ccc(NCCc2ccc(Cl)cc2)c([N+](=O)[O-])c1,MLS000584612-01,18,4.3584,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1ccc(C(C)NC(=O)CCS(=O)(=O)Cc2ccc(Cl)cc2)cc1,MLS000584505-01,18,4.7012,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3ccccc32)cc1,MLS000584167-01,18,5.2141,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1ncnc2c1sc1ccccc12)Nc1ccc(Br)cc1,MLS000583942-01,18,5.3378,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(N2C(=O)CN(Cc3sccc3C)C2=S)c1,MLS000583914-01,18,3.8071,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(SCC(=O)N2CCC(C)CC2)c([N+](=O)[O-])c1,MLS000583896-01,18,2.732,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(COc2cccc(CNc3ccc(Br)cc3)c2)cc1,MLS000583685-01,18,5.5484,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(NC(=O)c2nc[nH]n2)cccc1-c1nc2ccccc2s1,MLS000583669-01,18,3.6421,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sc2nc(SCc3cccc(Cl)c3)n(N)c(=O)c2c1C,MLS000583570-01,18,3.2125,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1c(-c2ccccc2Cl)oc2ccccc2c1=O)c1ccc(Cl)cc1,MLS000583296-01,18,5.986,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2C(=O)C(Oc3ccc(Cl)cc3Cl)C2C=O)c1C,MLS000583192-01,18,3.9719,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)C3C4C=CC(CN=C(S)Nc5cccc(Cl)c5)(O4)C3C2=O)cc1,MLS000583133-01,18,3.8593,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(-n2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3cc(C)[nH]n3)c2=O)c1,MLS000583048-01,18,1.8484,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cncc(Cl)c1NNc1c2ccccc2nc2ccccc12,MLS000582621-01,18,5.5288,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccccc1/C=C1\CCCC2=C1Nc1nnnn1C2c1ccccc1F,MLS000582420-01,18,4.4878,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O,MLS000582280-01,18,4.5677,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Cl)cn1,MLS000582239-01,18,3.597,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(S)=NCCc2ccccc2)sc2c1CC(C(C)C)OC2,MLS000581634-01,18,4.9625,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NC(c1ccccc1)c1ccccc1Br,MLS000581615-01,18,5.2953,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+S=C(Nc1ccc(OCc2ccccc2)cc1)Nc1cccc(Cl)c1Cl,MLS000581463-01,18,6.3813,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1ccc(F)cc1,MLS000581412-01,18,6.1847,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(C(=S)N2CCC(Cc3ccccc3)CC2)cc1,MLS000581381-01,18,4.225,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC=C(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c(C)c1,MLS000581038-01,18,4.462,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Br)cc1)c1ccc(CSC2=NCCS2)cc1,MLS000581028-01,18,5.0374,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(Cn2c(/C=C/c3ccco3)nc3ccccc32)cc1,MLS000580993-01,18,5.5014,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(C)=NOCC(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)cc1,MLS000580850-01,18,4.6957,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2C(=O)/C(=C/c3cccnc3)NC2=S)cc1,MLS000580819-01,18,2.3524,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=Nc2nc3ccccc3n2C(c2cccs2)/C1=C(\O)OC1CCCCC1,MLS000580747-01,18,5.9121,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sccc1N=C(S)N1CCN(c2cc(C)ccc2C)CC1,MLS000580727-01,18,3.891,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)C2CCCCC2)cc1,MLS000580637-01,18,4.3316,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1C/C(=C/c2cccs2)C(=O)/C(=C/c2cccs2)C1,MLS000580626-01,18,5.6657,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(NC(=Nc1ccc(F)cc1F)c1ccc(Cl)cc1)c1ccccc1,MLS000580485-01,18,4.675,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2)N1c2ccccc2Sc2ccccc21,MLS000580307-01,18,3.5291,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC2CCCCC2)c1,MLS000579979-01,18,4.9001,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(=O)C(CCc2ccncc2)(Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(Br)cc1,MLS000579914-01,18,5.5956,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1c(C)oc2ccc(N(C(=O)C3CCCCC3)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc12,MLS000579582-01,18,5.4626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(OCc2cc3c(cc2Cl)OCO3)c2c(C)cc(=O)oc2c1,MLS000579517-01,18,4.3709,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NCCNc1ccc([N+](=O)[O-])c(Sc2nc3ccccc3[nH]2)c1,MLS000579369-01,18,2.9929,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1[nH]c2ccccc2c1C=NN1CCCCC1,MLS000579164-01,18,2.6933,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cccc(NN=Cc2ccc(N3CCOCC3)cc2)c1,MLS000579146-01,18,3.6226,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C=NNC(=O)C2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1,MLS000579071-01,18,2.2091,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N(C(=O)c2ccc(Cl)cc2)C2CS(=O)(=O)CC2OC(=O)c2ccc(Cl)cc2)c1,MLS000579050-01,18,4.9712,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc([N+](=O)[O-])nn1C12CC3CC(CC(Br)(C3)C1)C2,MLS000579042-01,18,2.9375,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccccc1NC(=O)COc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1,MLS000578904-01,18,5.782,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2C(=O)c3cccc4c(N5CCCCC5)c([N+](=O)[O-])cc(c34)C2=O)c1C,MLS000578586-01,18,5.1557,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(/C=C1\N=C(SCc2ccccc2)SC1=O)=C\c1ccccc1,MLS000578476-01,18,5.5366,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccncc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cccc([N+](=O)[O-])c1,MLS000578425-01,18,4.6505,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)c1ccc(COc2ccccc2/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1,MLS000578374-01,18,4.7145,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)C(=O)Nc1ccc2c(c1)-c1cc(NC(=O)C(C)(C)C)ccc1C2,MLS000578124-01,18,5.227,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=c2sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1OC,MLS000578034-01,18,4.6549,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1[N+](=O)[O-],MLS000578010-01,18,3.4091,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1C(=O)/C(=C/Nc2ccc(S(N)(=O)=O)cc2)C(=O)NC1=S,MLS000577984-01,18,-0.107,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(CC)c1NC(=O)c1ccccc1CCc1ccccc1,MLS000577878-01,18,5.8489,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNC(=S)N(Cc1ccc(OC)cc1)C1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O,MLS000577808-01,18,2.1202,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCC1CC(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1,MLS000577748-01,18,4.2156,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc2c(C[n+]3csc4ccccc43)cccc2c1,MLS000577606-01,18,1.3943,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(N(c2ccccc2)c2ccccc2)cc1,MLS000577562-01,18,5.0646,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1C,MLS000577479-01,18,2.3565,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1n[nH]c(O)c1C(c1c(C)n[nH]c1O)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12,MLS000577401-01,18,5.6508,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1-c1c(C(F)(F)F)oc2cc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2c1=O,MLS000577395-01,18,5.9232,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1cccnc1,MLS000577371-01,18,4.4835,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C(=S)N2CCCCC2)ccc1OS(=O)(=O)c1ccc(Br)cc1,MLS000577186-01,18,4.7769,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc(SCc2cc(F)ccc2F)n1C1CCCC1,MLS000577118-01,18,5.0821,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(/C=C2/SC(=O)N(CCNC3=NS(=O)(=O)c4ccccc43)C2=O)cc1,MLS000577056-01,18,2.5276,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCP(=O)(CC)C(C)(C)CP(=O)(c1ccccc1)c1ccccc1,MLS000576840-01,18,5.182,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=C1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccncc1,MLS000576833-01,18,3.6867,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)C(Cc2ccccc2)N2C(=O)C3C4CCC(C4)C3C2=O)cc1Cl,MLS000576676-01,18,4.2293,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2C(=Nc2ccccc2)C1c1cccc(Br)c1,MLS000576597-01,18,5.55,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(/C=C(\C#N)C(=O)c2ccc(Br)cc2)cc1,MLS000576501-01,18,5.0852,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1ccccc1/C=C/c1ccc2c(C)cc(C)c(O)c2n1,MLS000576485-01,18,4.686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(NCc2ccc([N+](=O)[O-])s2)c1,MLS000576466-01,18,3.277,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CCNc1ccc([N+](=O)[O-])c2cccnc12)S(=O)(=O)c1ccc(Cl)cc1,MLS000576411-01,18,3.9191,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)OCC(=O)c1cccc2ccccc12,MLS000576344-01,18,3.7963,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Nc1cc(N=Cc2ccc(O)cc2O)c(Cl)cc1Cl,MLS000576177-01,18,4.1136,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1,MLS000576009-01,18,4.4611,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)NC(/C=C/c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O,MLS000575900-01,18,4.1293,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(Oc2coc3cc(OCc4cnn(-c5ccccc5)c4)ccc3c2=O)cc1,MLS000575728-01,18,5.1366,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(OC2(c3ccccc3)OC(=O)c3ccccc32)c1C,MLS000575621-01,18,4.7539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N=Cc2cc3c(cc2[N+](=O)[O-])OCO3)c1,MLS000575483-01,18,3.3825,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)=CCC/C(C)=C/Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O,MLS000574837-01,18,5.9347,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(O)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1,MLS000574835-01,18,1.8674,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1cccs1,MLS000574758-01,18,4.6059,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)c(C)c1,MLS000574666-01,18,5.5497,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Sc2ccc(Cl)cc2)cc1OC,MLS000574317-01,18,4.2897,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc([N+](=O)[O-])cc1COc1ccc2c(-c3ccccc3)cc(=O)oc2c1,MLS000574255-01,18,4.9558,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1n[nH]c(-c2ccc(OCc3cnn(-c4ccccc4)c3)cc2O)c1Oc1ccc(F)cc1,MLS000574253-01,18,5.7868,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC/C(O)=C/c1nc2ccccc2nc1O,MLS000574100-01,18,3.4245,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(NC(=O)C(Sc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-],MLS000573947-01,18,5.3753,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)NC(C)CNc1ccc([N+](=O)[O-])cc1Cl,MLS000573645-01,18,3.4614,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1ccc(OC(=O)c2ccco2)c(S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccco1,MLS000573572-01,18,4.7972,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc(-c2nnc3ccc(Nc4ccccc4)nn23)cc1,MLS000573475-01,18,4.2974,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O)c1cccnc1,MLS000573463-01,18,5.1616,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(NN=Cc1cccn1-c1ccccc1)c1ccc2ccccc2c1,MLS000573404-01,18,3.9429,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],MLS000573039-01,18,2.2582,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C=O)ccc1OCCOCCOc1c(C)cc(Cl)cc1Cl,MLS000572934-01,18,4.5973,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccccc1OCCCOc1ccc(C)cc1OC,MLS000572911-01,18,3.6381,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc([N+](=O)[O-])c(C(F)(F)F)c1,MLS000572760-01,18,4.3836,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2cc1-c1ccccn1,MLS000572692-01,18,5.1295,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(/C=C/C(=O)N2CCc3ccccc3C2)cc1,MLS000572660-01,18,4.5822,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1OCC(=O)ONC(=N)Cc1cccs1,MLS000572606-01,18,2.7031,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(S(=O)(=O)NCCSc2ccccn2)cc1,MLS000572601-01,18,2.8741,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C(Cc1cccc2ccccc12)NOC(=O)c1cccs1,MLS000572533-01,18,3.7827,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc2ncnc(Nc3cccc4ccccc34)c2c1,MLS000572429-01,18,5.2891,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCc2ccccc2-4)cc1,MLS000572301-01,18,4.884,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1oc2ccc(Cl)cc2cc1-c1ccccc1,MLS000572292-01,18,4.1134,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(/C=C2/SC(=O)NC2=S)cc1,MLS000572272-01,18,3.21,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(C=C(c2nnnn2-c2ccccc2)c2nnnn2-c2ccccc2)cc1,MLS000572256-01,18,4.0731,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(/C=C2\CN(CC)Cc3c2nc2ccccc2c3C(=O)O)cc1,MLS000572147-01,18,4.8715,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCC1CCCC(CNC(=O)N2CCc3ccccc32)C1)N1CCc2ccccc21,MLS000572131-01,18,4.3374,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCc1ccccc1OCCSc1nc2ccc([N+](=O)[O-])cc2s1,MLS000571887-01,18,5.1041,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccccc1O,MLS000571742-01,18,2.8445,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1OC(c2cccs2)=N/C1=C\c1ccc(-c2ccccc2Cl)o1,MLS000571645-01,18,5.006,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CNS(=O)(=O)c1ccc2ccccc2c1)OCC(=O)c1ccc(Br)s1,MLS000571620-01,18,3.3682,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2cccc(C(F)(F)F)c2)N=C(S)N1c1ccccc1,MLS000571571-01,18,6.3734,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2ccccc2N=C1CC,MLS000571474-01,18,5.4978,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1ccc(/C=C2\C(=O)c3ccccc3C(O)=C2C(=O)OCC)cc1,MLS000571348-01,18,5.1413,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(NC(=O)/C(=C/c2ccco2)c2ccccc2)c(C)c1,MLS000571108-01,18,5.3842,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN=C(S)N=NC1=C(O)c2cccc3cccc1c23,MLS000570730-01,18,4.2949,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=CC(C)(C)Nc2ccc(OC(=O)C(Cc3ccccc3)N3C(=O)c4ccccc4C3=O)cc21,MLS000570611-01,18,5.1069,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1c(Cl)cc(Cl)cc1C(C#Cc1ccccc1)N1CCOCC1,MLS000570561-01,18,4.124,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC(=O)Nc1ccc(Cl)c(Cl)c1,MLS000570368-01,18,4.0807,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(NC(=O)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)C12CC3CC(CC(C3)C1)C2,MLS000570331-01,18,4.4835,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCN2CC(C(=O)O)CC2=O)cc1OC,MLS000570127-01,18,1.1794,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)C(=O)/C(=C\c1cccc2ccccc12)c1ccc2ccccc2n1,MLS000570120-01,18,4.5823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)CC1CCCC1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O,MLS000570088-01,18,4.1774,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN1Cc2cc(C(=O)c3cc(OC)ccc3O)cnc2NC1=O,MLS000569731-01,18,3.1744,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2OCC3(CO2)COC(c2ccc(C)cc2)OC3)cc1,MLS000569446-01,18,4.0808,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(C(c2ccccc2)N2CCN(c3ccc4ccccc4n3)CC2)cc1,MLS000569408-01,18,5.1464,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNC(=O)NC1(C(F)(F)F)Oc2ccccc2O1,MLS000569316-01,18,2.7732,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)C2C3CCCC2C3c2ccccc2)cc1,MLS000569143-01,18,4.7634,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(Sc1nc(C(C)(C)C)cc(-c2ccccc2)c1C#N)C(=O)Nc1ccccc1,MLS000569100-01,18,6.0371,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(N)sc1N=Nc1ccc(F)cc1,MLS000568956-01,18,3.5882,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C(/O)CN1CCN(c2ccccc2F)CC1)c1nc(-c2ccc(Cl)cc2)cs1,MLS000568948-01,18,5.2175,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc(C=NNc2ncnc3c2cnn3Cc2ccccc2)cc1,MLS000568709-01,18,4.0831,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccc(Cl)cc2c1=O,MLS000568572-01,18,3.1271,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(Cc1cccs1)C(=O)CSc1nnnn1C,MLS000568195-01,18,1.0223,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc4ccccc4s3)o2)c1,MLS000568184-01,18,4.6691,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1Cc2ccccc2N1C(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O,MLS000567822-01,18,1.9552,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C(c2ccccc2)SC(=Nc2ccccc2)N1S(=O)(=O)c1ccccc1,MLS000567783-01,18,4.3797,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)N(CC(=O)NC(c3ccccc3)c3ccccc3)C(=O)C2C)cc1,MLS000567723-01,18,4.0579,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1nccs1,MLS000567597-01,18,4.816,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Nc2nc(NN=Cc3ccc(N(C)C)cc3)nc(C)c2[N+](=O)[O-])cc1,MLS000567517-01,18,3.9574,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2c(N=NN3CCOCC3)[nH]nc2n1,MLS000567506-01,18,1.9056,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)ON=C1c2ccccc2-c2ccccc21,MLS000567432-01,18,4.285,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C(S)N=C(N)C(c2nc(-c3ccccc3)cs2)C12CCCC2,MLS000567318-01,18,4.4899,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cc(C#N)c(SCc2cccc3ccccc23)nc1C,MLS000567249-01,18,4.8839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCSc1nsc(NC(=O)C(c2ccccc2)c2ccccc2)n1,MLS000567142-01,18,4.8108,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCCSc1nc2ccccc2[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,MLS000567084-01,18,3.6922,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2C2=Nc3ccccc3SC(c3ccc(Cl)cc3)C12,MLS000566883-01,18,6.1203,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN(C(=O)c1ccc(Cl)cc1)C1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1,MLS000566839-01,18,5.3152,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1,MLS000566612-01,18,5.5619,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2ncnc(SC(C)C(=O)N3c4ccccc4Sc4ccccc43)c2c1C,MLS000566611-01,18,6.6182,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(N)cc1,MLS000566457-01,18,3.1438,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1nc(CN2CC=C(c3ccccc3)CC2)nc2cc(C(F)(F)F)ccc12,MLS000566375-01,18,4.6435,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Oc2ccc(NC(=O)Cn3ccsc3=N)cc2)cc1,MLS000566373-01,18,4.1903,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2[nH]c3ccccc3c2C(C[N+](=O)[O-])c2ccco2)cc1,MLS000566273-01,18,5.1449,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCC(=O)OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1,MLS000566107-01,18,2.2979,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1csc(C2=Nn3c(nnc3-c3ccncc3)SC2)c1,MLS000566012-01,18,2.7597,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(Sc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])nnc1C1CCCCC1,MLS000565832-01,18,5.372,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCn1c(C)cc(C2=NN=C(Nc3ccc(Cl)cc3Cl)SC2)c1C,MLS000565750-01,18,4.9771,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)CSc3n[nH]c(N)n3)c2C#N)C(C)(C)C1,MLS000565614-01,18,5.1989,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC(C(=NS(=O)(=O)c1cccs1)c1ccccc1)c1nc2ccccc2[nH]1,MLS000565374-01,18,4.1098,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)C(=O)C1=C(C)N=C(S)NC1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1,MLS000565172-01,18,5.2652,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1oc2c(C)c(O)ccc2c(=O)c1-c1ccc2ccccc2n1,MLS000564813-01,18,4.3306,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1c2ccccc2N(C)C1(C)c1cccc2ccccc12,MLS000564520-01,18,4.5987,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1-n1c([S-])c(C(=O)Nc2ccc(C)cc2)[n+]2ccccc12,MLS000564246-01,18,4.0812,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1cccs1,MLS000564230-01,18,0.6167,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN=c1scc(-c2ccco2)n1N=Cc1ccc(O)cc1,MLS000564213-01,18,3.318,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1ccc(-c2cc(N)[nH]n2)cc1,MLS000564126-01,18,2.6114,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2cccc3cc(Br)cc(c23)C(=O)N1Nc1ccc(Br)cc1,MLS000563967-01,18,4.9879,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)N(C)/C(=C1/SC(=NCc3ccccc3)N(c3ccccc3)C1=O)S2,MLS000563921-01,18,5.7424,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)NC(NC(=O)c2ccc(C)cc2)C(Cl)Cl)cc1,MLS000563880-01,18,3.593,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(CC(=O)Nc1ccccn1)=NNC(=O)C(=O)Nc1cccc(Cl)c1C,MLS000563847-01,18,2.5028,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=C(CC1([C@@H](NP(=O)(c2ccccc2)c2ccccc2)[C@H]2C[C@@H]2CCCC)CC1)c1ccccc1,MLS000563640-01,18,7.5837,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1,MLS000563430-01,18,7.4418,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Oc1ccc2ccccc2c1C(NC(=O)Cc1ccccc1)c1ccccc1Cl,MLS000563416-01,18,5.8668,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(C(=O)NNc2cc(N3CCCCC3)nc(N3CCCCC3)n2)cc1,MLS000563386-01,18,4.5116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(NC(=O)C2CC3c4ccccc4C2c2ccccc23)c1,MLS000563286-01,18,5.5392,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)NN=C(C)c2ccc3c(c2)C2C=CCC2C(c2ccccc2)N3)cc1,MLS000563263-01,18,5.6757,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc(C2Nc3cccc4cccc(c34)N2)s1,MLS000562771-01,18,5.2,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cc2c3c(c1)C1CCCC1CN3CC1CCCC21)c1ccccc1,MLS000562660-01,18,5.5399,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=S)/C=C1\Sc2ccccc2N1C,MLS000562274-01,18,3.4597,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)C2CC(=O)N=C(Nc3nc4ccccc4s3)N2)c1,MLS000561737-01,18,2.8998,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCOc1cccc(C=NNC(=O)C(=O)NCc2ccco2)c1,MLS000561679-01,18,1.6109,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)/C=C1\OC(c2ccccc2)=CC1=O,MLS000561641-01,18,1.6837,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)n(-c2nc3nonc3nc2Nc2cccc(C)c2C)n1,MLS000560991-01,18,3.1758,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)NC(=O)C(=O)NN=Cc1ccc(Br)cc1,MLS000560943-01,18,1.8139,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(c2ccc(Br)cc2)NC(c2ccc(Br)cc2)C1c1ccccc1,MLS000560844-01,18,6.3402,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=CCC(C=NNc2n[nH]c3c4ccccc4nc-3n2)CC1,MLS000560405-01,18,3.6018,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1cccc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1)c1ccco1,MLS000560358-01,18,3.71,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(Oc2ccc(C(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1,MLS000559804-01,18,5.4375,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(/C=C/C(=C2/C(=O)N(c3ccccc3)N=C2C)c2ccc(Br)cc2)c1OC,MLS000559737-01,18,6.356,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OC(COCC(F)(F)C(F)(F)C(F)(F)C(F)F)Cn1c2ccccc2c2ccccc21,MLS000559736-01,18,5.343,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1C=O)OCO2,MLS000559314-01,18,1.2364,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1cc(NCCCn2ccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1,MLS000559111-01,18,5.0459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(-c2c(N)n(CCCc3ccccc3)c3nc4ccccc4nc23)nc2ccccc21,MLS000559002-01,18,5.3532,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cn2c(C)cc3c(c2=O)C(c2cccs2)C(C#N)=C(N)O3)cc1OC,MLS000558917-01,18,3.5019,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c2c(N)c3ccccc3nc2n1,MLS000558738-01,18,2.982,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[n+]1ccc(/C=C/c2ccc(Br)cc2)cc1,MLS000558680-01,18,0.448,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1sc2ccccc2c1Cl)N(Cc1ccccc1Cl)C1CCS(=O)(=O)C1,MLS000558595-01,18,5.0376,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)c1sc2ncn(Cc3ccccc3C)c(=O)c2c1C,MLS000558401-01,18,4.384,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N=C2Sc3nc4c(C)c(C)ccc4cc3CN2CCN2CCOCC2)c1,MLS000558264-01,18,5.0877,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc(Cc2nc3c(ccc4ccccc43)[nH]2)cc1,MLS000558252-01,18,3.8891,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nc(SCC(=O)NC(c2ccccc2)c2ccccc2)c2c3c(sc2n1)CN(C)CC3,MLS000558141-01,18,5.399,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C=Nn2c(=S)n(C)c3cc(C)c(C)cc32)c1OC,MLS000557579-01,18,4.2255,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(-c2ccccc2)cc1)C1=C(O)CCn2c1nc1ccccc12,MLS000557540-01,18,5.0148,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(N)nc2c3c(sc(=N)c2c1N)NC(=O)CC3c1c(F)cccc1Cl,MLS000557531-01,18,3.0785,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1CCN(c2ccccc2F)CC1)c1c[nH]c2ccc(F)cc12,MLS000557438-01,18,3.451,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)c(=O)oc1cc3occ(C(C)(C)C)c3cc12,MLS000557327-01,18,4.9985,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(CN2c3ccccc3-c3nc4ccccc4n3C2c2ccccn2)cc1,MLS000557260-01,18,5.6654,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CCn1c(=O)c(C(=O)NN=Cc2cccc(F)c2)c(O)c2ccccc21,MLS000557193-01,18,3.6562,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)C2c1ccc(C(C)C)cc1,MLS000557124-01,18,4.643,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)N/C(=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)C(=O)NCc2cccnc2)cc1,MLS000557071-01,18,6.4095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)c1nonc1C,MLS000557005-01,18,1.9068,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc2c(c1)cc(CN(C(S)=Nc1ccc(Cl)cc1)C1CC1)c1nnnn12,MLS000556783-01,18,5.0752,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=S)N2CCC(c3nc4ccccc4s3)CC2)cc1,MLS000556756-01,18,5.1811,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CSc1nnc(N)s1,MLS000556534-01,18,1.8684,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc2[nH]c3c(N4CCc5ccccc5C4)ncnc3c2c1,MLS000556376-01,18,4.4363,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)n1nnc2ccccc21,MLS000556310-01,18,3.9725,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cccc(C)c2nc1SCC(=O)N(C)c1nc(-c2ccccc2)cs1,MLS000556205-01,18,5.7302,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCC(CC=C)(NC(=O)c1ccccc1C)c1ccccc1,MLS000556179-01,18,4.7725,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)c(OC)cc1C=NNC(=O)CC1C(=O)NN=C1C,MLS000555854-01,18,0.6745,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)NC2CCN(C(S)=Nc3cccc(C)c3C)CC2)cc1,MLS000555757-01,18,4.1237,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(NC(NC(=O)c2cccnc2)C(Cl)(Cl)Cl)c1,MLS000555719-01,18,4.2366,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1,MLS000555566-01,18,3.1072,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Oc1ccc(C(=O)/C(=C\c2cccs2)c2nc3ccccc3o2)cc1,MLS000555559-01,18,6.1,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(C(=O)NCc1ccccc1)=C1/SC(Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1,MLS000555504-01,18,5.0827,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Sc1nnc(CSc2nc3ccccc3s2)n1C1CCCCC1,MLS000555450-01,18,4.974,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCC2)c1cccnc1,MLS000555416-01,18,5.1586,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCN(Cc2cccs2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1OC,MLS000555118-01,18,5.1521,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C(=CNCc2cccs2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1,MLS000555005-01,18,4.1778,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1,MLS000554972-01,18,3.5071,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(C(=O)CN3CCOCC3)c(C)[nH]c2c1,MLS000554954-01,18,2.2996,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCC(=O)Nc1cc2c(C)cc(=O)oc2cc1C,MLS000554936-01,18,4.3187,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C=NN2C(=S)SC(C)(C)C2N(O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,MLS000554922-01,18,4.3564,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc2c(c1)C=Nc1c(NCc3ccccc3)ncnc1O2,MLS000554888-01,18,4.5984,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(OCc2ccc3c(c2)OCO3)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C,MLS000554811-01,18,3.0965,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(C=Nc2c(-c3ccc(Cl)cc3)nc3n2CCS3)cc1,MLS000554773-01,18,5.7132,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(c2ccco2)CC(=O)C1=CNc1ccc(Br)cc1,MLS000554749-01,18,4.0537,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C=c2sc3n(c2=O)NC2(c4ccccc4)N(C)C(=O)N(C)C2(c2ccccc2)N=3)cc1,MLS000554652-01,18,2.6271,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C(C#N)=C/c2cccc3ccccc23)c([N+](=O)[O-])cc1OC,MLS000554425-01,18,4.8294,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1=C/C(=C/c2ccc(-c3ccccc3OC)o2)C(=O)O1,MLS000554363-01,18,4.5794,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2N2CCOCC2)cc1,MLS000554347-01,18,2.7367,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+[O-][n+]1onc2c3cc(-c4ccccc4)nnc3ccc21,MLS000554315-01,18,2.0714,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)SC(C[N+](=O)[O-])c1cn(C(C)=O)c2ccccc12,MLS000554273-01,18,2.8989,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CCC(O)(CCC(C)C)C(=O)NNc1ccccc1,MLS000554210-01,18,3.7332,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(O)(CC)C(=O)NN(C(=O)Nc1csc2c1CCCC2)c1ccccc1,MLS000554206-01,18,4.2477,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(C)c2c1NC(c1ccc(Cl)cc1)NC2=O,MLS000554087-01,18,3.7407,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)Cc2c(sc3nc(NN=Cc4ccccc4)nc(O)c23)CO1,MLS000554027-01,18,3.6942,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N=Cc1c(C)nn(-c2ccc(C)cc2)c1O,MLS000553966-01,18,4.7547,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(Br)cc1C=Nc1ccc2[nH]ncc2c1,MLS000553688-01,18,3.7816,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1oc(-c2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)nc2ccccc12,MLS000553518-01,18,4.809,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2c(N=NC(=O)C3CC3c3ccccc3)c(O)[nH]c2cc1Br,MLS000553445-01,18,5.3584,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Nc2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)c1C#N,MLS000552898-01,18,4.3194,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)[C@@]1(C#N)C(c2ccc(Cl)c(Cl)c2)[C@H](C(N)=O)N2C=C(C(C)=O)C=C[C@H]21,MLS000552598-01,18,2.7309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1nc2n[nH]c(N)c2c2c1CSC(C)(C)C2,MLS000552542-01,18,3.2314,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Oc1ccc(CC(=O)NN=C(S)Nc2ccc(Br)cc2)cc1,MLS000552446-01,18,4.2079,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCCC1CC(C(C)=NNC(N)=O)OC1=O,MLS000552443-01,18,2.3228,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)C(C(=O)NCCC(C)C)c2c[nH]c3ccccc23)cc1,MLS000552247-01,18,4.4183,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccccc2Cl)o1,MLS000551926-01,18,3.9025,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCN(Cc2c(O)ccc3c2O/C(=C\c2ccco2)C3=O)C1,MLS000551823-01,18,3.8333,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N=C2C(=O)c3ccccc3C(O)=C2N2CCN(c3ccccc3F)CC2)cc1,MLS000551486-01,18,4.2091,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)nc(N=NC(=NNc2ccccc2C)c2ccccc2)n1,MLS000551325-01,18,4.3566,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(C(=O)NN=Cc1cccc2ccccc12)c1nnc(O)c2ccccc12)c1ccccc1,MLS000551245-01,18,4.11,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N=Nc2c(CSc3ccccn3)nn(-c3ccccc3)c2O)cc1,MLS000550956-01,18,5.989,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(O)c(C#N)c2c1CCCC2,MLS000550839-01,18,1.8461,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2nc(N3C(=O)CC(Cc4ccc(Cl)cc4)C3=O)sc2c1,MLS000550793-01,18,4.0805,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCCCCCNC(=O)c1ccc(Br)s1)c1ccc(Br)s1,MLS000550619-01,18,5.0548,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(NCc1ccc(F)cc1)(NC(=O)c1ccccc1)C(F)(F)F,MLS000550598-01,18,3.167,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C(Cl)=C(N2CCCCC2)C(=O)C(Cl)=C1c1cnc(N2CCCCC2)s1,MLS000550549-01,18,4.1714,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc2n1CCCN2C(=S)Nc1ccc(Cl)cc1)c1ccccc1,MLS000550533-01,18,4.5136,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C1N(N=Cc2ccccc2)C(=Nc2ccccc2)C(=S)N1c1ccccc1,MLS000550514-01,18,4.8351,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(O)(c2ccccc2)C(c2ccccc2)=C1c1ccccc1,MLS000550144-01,18,4.458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C(S)Nc1ccc(Oc2ccc(N=C(N)S)cc2)cc1,MLS000549777-01,18,3.6314,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)N1CCCCC1,MLS000549502-01,18,6.6225,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=NO)c2oc3c(C)c4oc(=O)cc(C)c4cc3c2C)cc1,MLS000549493-01,18,4.9995,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1cc(Cl)ccc1Cl)N1CC2CCCN2c2ccc(C(F)(F)F)cc21,MLS000549322-01,18,5.1899,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1csc(Cc2nc(-c3ccc4ccccc4c3)cs2)n1,MLS000549314-01,18,4.7162,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2cc(C(=O)c3ccc4ccccc4c3O)cn2)cc1,MLS000549294-01,18,4.2705,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(F)cc1)n1ccc(-c2cccc(OCc3ccc(Cl)cc3Cl)c2)n1,MLS000549251-01,18,5.812,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nc(-c2ccc(Cl)cc2)nn1S(=O)(=O)c1ccc(Cl)cc1,MLS000548840-01,18,4.2108,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc2cc3c(N)c(C(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)sc3nc12,MLS000548793-01,18,4.6309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1ccc(Nc2nc(C3CC3)nc3c2nnn3Cc2ccccc2Cl)cc1,MLS000548764-01,18,3.7943,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1cnc(O)nc1O,MLS000548729-01,18,3.0665,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2cc(C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)O)c(C)o2)cc1OC,MLS000548686-01,18,4.1792,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(S(=O)(=O)N(Cc2ccccc2Cl)c2ccc3c(c2)CCC3)ccc1-n1cnnn1,MLS000548660-01,18,4.5083,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)C1C(=O)C(=C(O)OC)C(c2ccc(C)cc2)C(C#N)(C#N)C1c1ccc(C)cc1,MLS000548484-01,18,3.9923,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3n(n2)Cc2ccccc2-3)cc1,MLS000548465-01,18,3.2822,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccccc2)c(N=Cc2ccccc2O)c1-c1ccccc1,MLS000548337-01,18,5.3039,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1c2c(nc3cc(-c4ccc(Cl)cc4)nn13)CCS2,MLS000548281-01,18,3.4035,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1nnn(CC(=O)N2N=C(c3cccc4ccccc34)CC2c2ccccc2)c1C(=O)OCC,MLS000548103-01,18,4.1626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(/C=C/C(=O)c2cccs2)cnn1C,MLS000548084-01,18,2.6861,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2c(cc1C)NC(=O)CC(C(F)(F)C(F)(F)C(F)(F)F)=N2,MLS000548056-01,18,4.551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1[nH]c2ccc(F)cc2c1N=Nc1ccccc1,MLS000547757-01,18,4.428,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c2nc(O)c(C(c3nnnn3C(C)(C)C)N3CC=C(c4ccc(F)cc4)CC3)cc12,MLS000547683-01,18,5.3165,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC12CCC(C(=O)N(CSC(S)=NN=Cc3ccccc3O)C1=O)C2(C)C,MLS000547524-01,18,3.5139,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(S(=O)(=O)N(C2=NCCS2)S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1,MLS000547498-01,18,4.0195,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(-c2nc3c(C#N)c(-c4ccc5c(c4)OCO5)ccn3n2)cc1,MLS000547405-01,18,4.9612,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C\c2ccccc2)CCc2c1[nH]c1ccccc21,MLS000547259-01,18,4.3804,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CCCCC1)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1,MLS000547221-01,18,4.3941,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1N1C(=O)c2ccccc2NC1C(OC)OC,MLS000547210-01,18,2.7125,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2C(=O)c3ccccc3NC2C(C)Cc2ccc3c(c2)OCO3)cc1,MLS000547209-01,18,5.0009,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C1C(=O)OCC1c1cc(Cl)ccc1NC(=O)Nc1ccccc1,MLS000547115-01,18,3.6442,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(C2OC3c4cccc5cccc(c45)C3N2c2ccccc2)cc1,MLS000547096-01,18,6.1712,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(Cl)cc1)c1c[nH]cc1-c1ccccc1,MLS000547076-01,18,4.5661,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc2nc(-c3ccc(Br)s3)cn2c1,MLS000546882-01,18,4.4787,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cccc(Cl)c1CSc1cc2c(nn1)-c1ccccc1CC2,MLS000546867-01,18,5.8413,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1C(=O)COc2ccc(C(=O)c3oc4ccccc4c3-c3cnc4c(c3)COc3ccccc3-4)cc21,MLS000546799-01,18,5.6404,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=Cc1cc2ccccc2nc1SCc1ccc(Cl)c(Cl)c1,MLS000546558-01,18,5.6464,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CNC(=O)/C=C/c2cc3c(cc2Br)OCO3)cc1,MLS000546499-01,18,3.516,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccccc1Cl,MLS000546469-01,18,5.3204,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Sc2cc(C(F)(F)F)nc(N(C)C)n2)cc1,MLS000546282-01,18,4.021,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccco2)c1NC(=O)c1cccs1,MLS000545991-01,18,6.6489,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)COc1c(OC)cc(Cl)cc1C1Nc2ccccc2C(=O)N1c1cccc(C)c1,MLS000545929-01,18,5.37,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2ccc(CSc3[nH]cnc4ncnc3-4)cc2)c(C)c1,MLS000545917-01,18,4.4659,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(C)c2)NC1=S,MLS000545890-01,18,3.0628,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1,MLS000545868-01,18,3.9958,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSc1nnc(-c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2N)o1,MLS000545814-01,18,5.7695,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(/C=C2\C(=O)c3ccccc3OC2c2ccccc2)cc1,MLS000545778-01,18,5.4853,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(/C=C2\NC(=S)N(Cc3ccccc3)C2=O)cc1,MLS000545777-01,18,3.0104,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3ccc(OC)cc3OC)C2=O)c(OC)c1,MLS000545665-01,18,5.2729,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2[nH]nc(N)c2N=Nc2cccc(Cl)c2C)cc1,MLS000545658-01,18,5.3445,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)C1C2CCC(C2)C1C(=O)OCC(=O)c1ccc(C)cc1,MLS000545574-01,18,2.5562,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(COc2ccc(-c3csnn3)cc2)cc1,MLS000545486-01,18,3.7841,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)c1=O,MLS000545079-01,18,4.6087,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccccc1S(=O)(=O)N1Cc2cc([N+](=O)[O-])ccc2Oc2ccccc21,MLS000544996-01,18,3.8826,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1cccc2c1ccc1cccn12)c1cccs1,MLS000544944-01,18,3.9548,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2cc(-c3ccsc3-n3c(C)ccc3C)nn2c(O)c1Cl,MLS000544905-01,18,4.5328,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(O)nc2ccc(Cl)cc12,MLS000544851-01,18,2.9022,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cccc(Cl)c1CNC1CCCC1,MLS000544804-01,18,4.4474,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(/C=C/c1ccco1)=NNC(=O)c1ccccc1Cl,MLS000544743-01,18,3.7521,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc2[nH]cc(-c3nnnn3-c3ccc4ccccc4c3)c2c1,MLS000544739-01,18,4.6172,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2CCCC12N=NCC2c1cccc2ccccc12,MLS000544736-01,18,5.3472,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)n1,MLS000544703-01,18,4.2799,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(COc2ccccc2C2Nc3ccc(Br)cc3C(=O)N2NC(=O)c2ccncc2)c1,MLS000544685-01,18,5.3432,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nnc(-c2cccc(Br)c2)c2cn(-c3ccc(Br)cc3)nc12,MLS000544662-01,18,5.3159,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1scc2c(C(=O)NN=Cc3ccc(Cl)cc3)nn(-c3ccccc3)c(=O)c12,MLS000544578-01,18,3.4467,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C2/SC(NN=C3CC4CCC3(C)C4(C)C)=NC2=O)cc1,MLS000544486-01,18,4.4573,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C(=O)N2c3ccccc3C(=O)OC2c2ccc3c(c2)OCO3)c1,MLS000544484-01,18,4.2397,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1,MLS000544394-01,18,3.6345,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(SC(c2ccccc2)C(Cn2cncn2)C(=O)c2ccccc2)cc1,MLS000544391-01,18,5.6192,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)N(C)C(c1ccccc1Cl)c1nnnn1-c1c(C)cccc1C,MLS000544335-01,18,3.8903,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C\c2ccc(Br)o2)SC(=Nc2ccccc2)N1c1ccccc1,MLS000544252-01,18,5.8507,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CC(C)NNC(=O)c1cc2ccccc2[nH]1,MLS000544083-01,18,2.8369,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCSc1nc(C)cc(N=C(S)Nc2ccc(OC)cc2)n1,MLS000543828-01,18,4.7152,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccccc1C=Nc1cc(-c2ccccc2)nn1-c1ccccc1,MLS000543753-01,18,5.9433,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1n[nH]c(C)c1N=Nc1cc(Cl)ccc1Cl,MLS000543579-01,18,4.7487,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)C12CC3CC(C1)CC(n1cnc(Cl)n1)(C3)C2,MLS000543499-01,18,5.5662,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccccc1Cl)N1N=C(c2ccc(Br)cc2)CC1c1nc2ccccc2[nH]1,MLS000543477-01,18,5.9703,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)n(OCc3ccccc3)c2c1,MLS000543402-01,18,4.8937,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccccc1)c1cnc(Nc2ccc(Cl)c(Cl)c2)s1,MLS000543213-01,18,5.4245,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cnc(-c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1Cl,MLS000543206-01,18,6.0013,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1sccc1-c1ccc(C=NOCc2c(Cl)cccc2Cl)o1,MLS000543187-01,18,5.6522,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cc(C=NO)ccc1SCc1ccccc1,MLS000543185-01,18,3.6952,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)/C=C(/C(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1,MLS000543145-01,18,4.053,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F,MLS000543116-01,18,4.6123,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C(N)Oc2c(ccc3ccccc23)C1c1cccs1,MLS000541453-01,18,4.1195,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(-c2ccc(Cl)cc2)ccn2nc(C3CCCCC3)nc12,MLS000541359-01,18,4.9691,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)C(Cc1cnc(Cl)s1)(C(=O)OC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],MLS000541357-01,18,2.4394,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1cc(Br)c2nc(-c3cccs3)ccc2c1,MLS000541349-01,18,5.4883,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)n2cc(-c3ccc(Cl)nn3)c3ccccc32)cc1,MLS000541277-01,18,4.7486,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(c1)C(=O)C(NC(=O)c1ccc(Cl)c(Cl)c1)CS2,MLS000541246-01,18,4.3888,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1N(CC(=O)NN=C1CCCCCC1)S(C)(=O)=O,MLS000541074-01,18,2.8958,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNS(=O)(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(C)o2)cc1,MLS000541070-01,18,4.3053,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C=NN2C(=O)c3ccccc3NC2(C)c2cccc([N+](=O)[O-])c2)cc(Br)c1O,MLS000541039-01,18,4.8462,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2c(Sc3ccc(Br)cc3)c3ccc(OC)cc3[s+]2[O-])cc1,MLS000540925-01,18,6.2056,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CON=C(Cn1ncc(N2CCCC2)c(Br)c1=O)c1ccc(Cl)cc1,MLS000540899-01,18,3.3101,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-n2cnc(C(=O)NN=Cc3ccccc3)c2)n1,MLS000540862-01,18,2.3396,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)Nc2oc(-c3ccccc3)cc2C#N)cc1,MLS000540858-01,18,4.379,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCOc1c(CNc2cccc(C(=O)O)c2)cccc1OC,MLS000540670-01,18,3.5703,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2CCN(c3ccc(NC(=O)/C=C(/C(=O)O)c4ccccc4)cc3)CC2)c1,MLS000540650-01,18,4.4283,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNC(=O)c1ccc(-c2ccc(OC)cc2)s1,MLS000540558-01,18,2.7833,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCSC1=NC(/C=C/c2ccc(Cl)cc2Cl)=CC(C)(C)N1,MLS000540435-01,18,5.3814,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=CC(=NNc1ccc(Cl)cc1)C(=O)c1ccncc1,MLS000540428-01,18,2.5847,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)ON=Cc2ccc([S+]([O-])c3ccc(Cl)cc3)nc2)cc1,MLS000540422-01,18,4.1012,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)ON=Cc2ccc(Sc3ccc(C)cc3)nc2)c1,MLS000540420-01,18,4.7407,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Sc2nnc(-c3ccccc3)cc2C#N)cc1,MLS000540414-01,18,4.4749,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1Cc2ccccc2C(=O)N1Cc1ccccc1,MLS000540413-01,18,2.4117,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(-c2ccnc(-c3ccccc3)n2)cc1CS(=O)(=O)c1ccc(Cl)cc1,MLS000540380-01,18,5.3461,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C\Nc2ccc(OC(F)(F)F)cc2)CCN1c1ncccn1,MLS000540279-01,18,3.1079,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CON=CNC(=O)Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12,MLS000540273-01,18,3.9461,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1CCc2c(O)nc3ccccc3c2O1,MLS000540147-01,18,3.4341,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc2c1OCCO2,MLS000540036-01,18,4.4756,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1noc(/C=C/c2ccc(-c3ccccc3Cl)o2)c1[N+](=O)[O-],MLS000539896-01,18,4.975,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCS(=O)(=O)c1snnc1C,MLS000539890-01,18,1.0302,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccccc1N=Nc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1,MLS000539833-01,18,5.8647,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2ccc(F)cc2)c(O)c1C=Nc1sc2c(c1C#N)CCCC2,MLS000539636-01,18,4.588,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nsc(/C=C/Nc2ccc(Cl)cc2)c1C#N,MLS000539457-01,18,4.4729,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2C(=O)N1CCN1CCN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1,MLS000539292-01,18,3.5583,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc2c(=O)n(NC(=O)C(c3ccccc3)c3ccccc3)c(=S)[nH]c2c1,MLS000539286-01,18,3.7479,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1nn(C23CC4CC(CC(C4)C2)C3)c2c1C(=O)N(c1ccc(Br)cc1)C2=O,MLS000539222-01,18,4.1581,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=CCC2C(=O)N(C(C)c3ccccc3)C(=O)C2C1,MLS000538996-01,18,3.0889,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccn(C(=O)c2cc3cc(Cl)ccc3oc2=O)n1,MLS000538957-01,18,2.6398,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=C1C(=NNc2cccc(Cl)c2)C(=O)NN1c1ccccc1,MLS000538800-01,18,2.6366,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nnc(C)c2c(C)n(C(c3ccccc3)c3ccccc3)c(C)c12,MLS000538595-01,18,5.3027,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)NC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1,MLS000538510-01,18,4.757,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNC(=O)c1cc2cc(OC)ccc2oc1=O,MLS000538333-01,18,1.1612,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NCC1c2ccccc2CSc2ccccc21,MLS000538213-01,18,3.8047,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)NN=Cc2ccc(COc3ccc([N+](=O)[O-])cc3)o2)ccc1[N+](=O)[O-],MLS000538169-01,18,3.7473,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cnn(-c2nc3c(C)cccc3s2)c1C,MLS000538075-01,18,2.8854,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(C)cc1C=NNC(=O)C(C)(C)Oc1ccc(Cl)cc1,MLS000538053-01,18,2.6896,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)[nH]n1,MLS000537839-01,18,1.7204,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2c(C#N)c(N)n(-c3ccc(C)cc3)c(=O)c2C#N)cc1,MLS000537603-01,18,3.4469,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)COC(=O)C2CC(=O)N(c3nc(-c4ccccc4)cs3)C2)cc1,MLS000537563-01,18,3.8975,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=c2c(=Cc3ccccc3OC)c(N)c(C#N)n2C(=O)C(c2ccccc2OC)S1,MLS000537402-01,18,2.5876,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc2c(c1)ncn2CCCOc1ccc2c(c1)CCC2,MLS000537337-01,18,3.9941,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1,MLS000537153-01,18,5.1839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(N=C3SC(CC(=O)Nc4ccccc4OC)C(=O)N3C)ccc21,MLS000537061-01,18,5.4131,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc(-c2cn3c(n2)CCc2ccc4cccnc4c2-3)cc1,MLS000536824-01,18,4.9486,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(c1)SC1=NC(c3ccccc3)(C(F)(F)F)NC(=O)N12,MLS000536813-01,18,4.4016,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(C2=C3CCCCn4c(-c5ccccc5)c[n+](c43)C2)cc1,MLS000536780-01,18,2.2083,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc2c(-c3nn4nnnc4c4ccccc34)cccc2c1,MLS000536699-01,18,3.4927,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCn1c(N)c(-c2nc(-c3ccco3)c(C(=O)c3ccc(OC(F)F)cc3)s2)c(=O)n(C)c1=O,MLS000536152-01,18,3.7551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN1C(=O)Cc2c1nc(N)c1c(N)nc(N(CCC)CCC)c(C#N)c21,MLS000536137-01,18,2.9815,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCC2(C1)N=C(S)c1c(sc3c1CCCC3)N2,MLS000536080-01,18,4.6352,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(/C(O)=C(/C([S-])=NCc2ccco2)[n+]2ccccc2)cc1,MLS000536028-01,18,4.894,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCCN1C(S)=NCCc1ccccc1,MLS000536026-01,18,3.3893,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1NC(S)=NN1CCN(C)CC1,MLS000535977-01,18,2.1635,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC/C(C=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])=C\c1ccccc1,MLS000535872-01,18,4.6773,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)c1,MLS000535847-01,18,3.594,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C2\CCCC(C(=O)C(F)(F)F)=C2O)cc1,MLS000535262-01,18,4.206,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(N)c(C(=O)Nc2ccc(C)cc2)sc1=S,MLS000535260-01,18,3.608,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S,MLS000535184-01,18,4.2957,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(=S)N(Cc2ccco2)C(=O)/C1=C\NCc1cccs1,MLS000535170-01,18,1.7581,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)Cn1c(=N)n(CCOc2ccc3ccccc3c2)c2ccccc21,MLS000535130-01,18,4.1394,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)Oc1cc2c(cc1Cl)C1(CC(c3ccccc3Cl)O2)CC(C)(C)N=C(S)N1,MLS000535004-01,18,5.6955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1C,MLS000534710-01,18,4.271,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(=O)C(=Cc2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)C(=O)N1,MLS000534541-01,18,2.1984,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C#CCOc1ccc(Br)cc1C=NO,MLS000534452-01,18,2.2692,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1CCCCN1C(=O)CCCOc1ccccc1,MLS000534437-01,18,3.6367,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)N1,MLS000534347-01,18,3.2645,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nnc(N2C(=O)c3cccc4cccc(c34)C2=O)s1,MLS000534338-01,18,3.0543,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1(CC)Cc2ccccc2-c2nc(-c3ccccc3)oc(=O)c21,MLS000534300-01,18,4.9827,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C2C(c3ccccc3)C=CC(c3ccccc3)C2C(=O)N1C1CCCCC1,MLS000534277-01,18,5.0577,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+ON=Cc1cccn1-c1ccc(Br)cc1,MLS000534234-01,18,3.0479,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(OC(=O)c2ccccc2)C(C)(C)C(c2ccc(Br)cc2)OC1=O,MLS000534190-01,18,5.2042,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(OC)c1OCCOc1ccccc1OC(C)C,MLS000533998-01,18,3.9488,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)C1c1cn(-c2ccccc2)nc1-c1ccco1,MLS000533946-01,18,5.3336,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1[N+](=O)[O-])CCCC2=NOC(=O)c1ccccc1SC,MLS000533778-01,18,4.2227,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc(C)c2c(=O)n(CC(=O)c3ccc(Br)cc3)nnc12,MLS000533736-01,18,2.9835,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1nn(-c2ccccc2)c(N)c1-c1ccc(OC)c(OC)c1,MLS000533715-01,18,3.7011,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(OCCOc2cccc3cccnc23)cc(C)c1Cl,MLS000533695-01,18,4.9628,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(CC)C(=O)NC12CC3CC(CC(C3)C1)C2,MLS000533666-01,18,3.5076,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=C(C)c1cccc(C(C)(C)NC(=O)N(Cc2ccccc2)Cc2ccco2)c1,MLS000533497-01,18,5.9598,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C/Nc1cc(C(F)(F)F)ccc1Cl)C(=N)S,MLS000533445-01,18,4.0853,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1OC)C1(Nc3c-2c(Cc2ccccc2)nn3-c2ccccc2)C(=O)Nc2ccccc21,MLS000533435-01,18,5.7685,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)C(=Nc1ccc(Cl)cc1Cl)NNc1cccc(Cl)c1,MLS000533426-01,18,4.8825,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)c1,MLS000533196-01,18,4.131,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1,MLS000533195-01,18,5.4319,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CC2=C(CC1C=NN=C(N)S)C(C)(C)CCC2,MLS000533159-01,18,3.7695,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1,MLS000533080-01,18,3.1643,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)(c1ccc(C=O)s1)c1ccc(C=O)s1,MLS000532993-01,18,4.1506,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(CNc2ccc3c(c2)CCC3)c1,MLS000532964-01,18,3.796,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OC1CCCN(Cc2c3ccccc3cc3ccccc23)C1,MLS000532902-01,18,3.9497,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc2cc(-c3cc4ccccn4c3)ccc2c1,MLS000532871-01,18,4.7595,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1[nH]c2ccccc2c1CN1CCc2ccccc2C1,MLS000532769-01,18,4.0346,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCc1ccccc1)C1=[N+]([O-])OC(C(=O)OCc2ccccc2)C1c1c[nH]c2ccccc12,MLS000532626-01,18,4.0034,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(NCn2cncn2)nc1,MLS000532581-01,18,0.7427,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CN2CCOCC2)cc1OC,MLS000532567-01,18,1.536,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nc(-c2ccccc2)nc(S)c1C(C)=O,MLS000532490-01,18,3.3568,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Sc1oc(-c2ccccc2)cc1C=Nc1ccccc1,MLS000532048-01,18,4.9859,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COS(=O)(=O)[O-].Cc1ccc(S(=O)(=O)Cc2sc3ccccc3[n+]2C)cc1,MLS000532013-01,18,2.1011,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(CC(=O)ONC(=N)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc2ccccc2c1,MLS000531754-01,18,2.4419,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC2=CCCCC2)cc1C,MLS000531743-01,18,2.6308,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)Cc1cc(O)nc(N=C(NC(=O)c2ccccc2)Nc2ccccc2C(F)(F)F)n1,MLS000531741-01,18,3.8362,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(-c2cccc(NS(=O)(=O)c3cccc4ccccc34)c2)cs1,MLS000531710-01,18,5.0725,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(Nc1cc(Cl)ccn1)c1ccc(Cl)cc1,MLS000531344-01,18,3.1892,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nsnc2c1S(=O)(=O)N1CCOCC1,MLS000531258-01,18,1.0206,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CS(=O)(=O)N1CCN(c2ccccc2NC(=O)C(c2ccccc2)c2ccccc2)CC1,MLS000531149-01,18,3.5388,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1n(S(=O)(=O)c2cccc3cccnc23)c2ccccc2n1S(=O)(=O)c1cccc2cccnc12,MLS000531112-01,18,3.3734,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1=C(N)Oc2c(c(O)nc3ccccc23)C1c1ccccc1,MLS000531020-01,18,3.1981,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc(Cl)c1Cl,MLS000531007-01,18,3.652,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OCC(=O)NC1CCCCC1,MLS000530894-01,18,4.1261,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(Cl)cc1C1=CC(C(F)(F)C(F)F)=NCCN1,MLS000530552-01,18,3.3311,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)C2c2ccc(N(C)C)cc2)cc1,MLS000530518-01,18,3.455,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nn(-c2ccccc2)c(O)c1N=Nc1ccccc1[N+](=O)[O-],MLS000530397-01,18,3.4837,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3cccc(C)c3)c2cc1OC,MLS000530102-01,18,5.7161,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(SC1=NCCS1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1,MLS000530098-01,18,4.1306,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)N=c2sc3c(C)ccc(OC)c3n2C)c1,MLS000530055-01,18,3.3065,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1cn(CCNC(=O)c2ccc3ccccc3c2)c2ccccc12)NCc1ccco1,MLS000529814-01,18,5.226,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1ccccc1C,MLS000529177-01,18,5.1551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OC(CN1CCN(c2ccccn2)CC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21,MLS000529159-01,18,4.6794,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(-c2[nH]nc3c2C(c2ccc(Cl)cc2)C(C#N)=C(N)O3)c(C)s1,MLS000529081-01,18,4.6266,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cccc(-c2cc3nc4c(c(N5CCN(c6cnccn6)CC5)n3n2)CCCC4)c1,MLS000528481-01,18,4.0451,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)c2c(-c3ccccc3F)c3c(nc2n(C)c1=O)-c1ccccc1C3O,MLS000528339-01,18,2.5004,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCN(C(=O)COc1ccc(Cl)cc1)c1nnc(-c2cccnc2)s1,MLS000528089-01,18,3.7337,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(-n2c(S)nnc2-c2cc(-c3ccco3)[nH]n2)cc1,MLS000527848-01,18,3.4087,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc2c(CNc3ccc(CNc4nc[nH]n4)cc3)cccc2c1,MLS000527788-01,18,4.1821,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1OC)C(c1cc3ccccc3oc1=O)=NC(C)(C)C2,MLS000527709-01,18,3.9823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)n(C(=O)CNC(=O)C(c2ccccc2)c2ccccc2)n1,MLS000527382-01,18,3.0884,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nnc(CSc3nc(C(C)C)nc4sc(C)c(C)c34)o2)cc1,MLS000527253-01,18,6.0823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2cc3n(c2)CCc2ccccc2-3)cc1,MLS000527134-01,18,4.9561,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=NN(C(N)=S)C(=O)C1N=Nc1ccc(C)cc1C,MLS000526883-01,18,2.2174,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(N)cccn2c1C(=O)c1ccc(Br)cc1,MLS000526822-01,18,3.8824,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Nc2nc3c([nH]2)c(=O)[nH]c(=O)n3C)cc1,MLS000526730-01,18,1.0019,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(C)c(C(=O)CSc2nnc(-c3ccc4[nH]c(C)c(C)c4c3)o2)c1C,MLS000526636-01,18,6.0434,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCCCCCSc1n[nH]c(NC(C)=O)n1,MLS000526405-01,18,3.9959,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCSc1ccnc(SCNC(=O)c2ccccc2)n1)c1ccccc1,MLS000526334-01,18,3.4358,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(-c3ccccc3)nnc2-c2cccs2)cc1,MLS000526288-01,18,4.9712,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)CC(=O)c2c(nc3[nH]c(=O)[nH]c(=O)c3c2-c2ccc([N+](=O)[O-])cc2)C1,MLS000526151-01,18,2.3417,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cn(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)c(=O)[nH]c1=O,MLS000526142-01,18,3.0506,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CNc1nnc(-c2ccc(N(C)C)cc2)s1,MLS000525923-01,18,2.3128,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(/C(O)=C/C(=O)C(=O)NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1,MLS000525723-01,18,2.5465,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc(Br)c2c1C(=O)c1ccccc1C2=O,MLS000525406-01,18,2.8067,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc2c(c1)oc1ccccc12,MLS000523723-01,18,3.4942,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)no2)cc1,MLS000523083-01,18,4.9108,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(N2CCN(c3ccc(F)cc3)CC2)nc2cc(O)ccc12,MLS000522989-01,18,3.7145,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN(CCC)C(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21,MLS000522785-01,18,2.6062,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)N1CCC(N(C(=O)Nc2ccc(F)cc2)C2CCCC2)CC1,MLS000522708-01,18,3.6131,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCCC(C)C)c1C,MLS000522645-01,18,4.1109,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNc2nc3ccc(C)cc3n3cnnc23)cc1,MLS000522416-01,18,3.5064,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c2c(c(=O)n(C)c1=O)C(c1ccccc1Cl)CC(=O)N2,MLS000522405-01,18,1.2115,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CCCC2=C1C(c1ccsc1)CC(=O)N2c1nnc(SCc2ccccc2)s1,MLS000522341-01,18,5.4195,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(Nc2nc(C3CC3)cs2)cc1,MLS000522319-01,18,4.4175,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(C(CC(=O)O)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1,MLS000521553-01,18,4.3238,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCCCCS(=O)(=O)NN=Cc1cccc([N+](=O)[O-])c1,MLS000521536-01,18,3.5987,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2c(nc3n1CCCCC3)sc1c(O)c(Br)ccc12,MLS000521398-01,18,3.8057,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc(O)cc1,MLS000521382-01,18,4.7717,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1cccc(/C=C/c2nc(C=Nc3ccc4ccccc4c3)c(O)o2)c1,MLS000521380-01,18,5.3626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCCN(CC)CC)c2c1C,MLS000521235-01,18,2.6456,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1c(NCCCO)cc(Sc2nc3ccccc3s2)c2nonc12,MLS000520994-01,18,3.6862,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1c[nH]nc1N=C(S)Nc1ccc(Cl)c(Cl)c1,MLS000520942-01,18,3.5325,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(N=Cc1c[nH]c2ccccc12)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl,MLS000520634-01,18,4.63,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1scc(C)c1NN=C(C)c1cc(F)c(Cl)cc1F,MLS000520624-01,18,4.6108,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1Nc2ccccc2N(O)N1c1cc(-c2cccc(Cl)c2)no1,MLS000520471-01,18,4.1577,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2[nH]c(=O)n(Cc3ccccc3Cl)c(=O)c2cc1OC,MLS000520129-01,18,2.4087,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1Nc2ccccc2C(O)(C(=O)NCc2ccc3c(c2)OCO3)N1c1ccc(Cl)c(Cl)c1,MLS000519791-01,18,4.2357,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2C1c1c(F)cccc1Cl,MLS000519529-01,18,3.4824,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)C2(C)C3c4cc(Br)ccc4OC(=O)C32C(=O)c2ccco2)cc1,MLS000519426-01,18,5.1252,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN1C(=O)C(=c2sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21,MLS000519287-01,18,2.2428,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N=C2C(Cl)=C(O)OC2NC(=O)c2ccccc2)c1,MLS000519135-01,18,3.8197,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)C1=C(C)N(CC(C)C)C(=O)C1,MLS000519127-01,18,1.3217,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1N1C(=O)C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1c1cccs1,MLS000519012-01,18,4.3708,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCOc1ccc2c(c1)C(=NO)c1cc(OCC=C)ccc1-2,MLS000518902-01,18,4.0232,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCCOc1ccc(OC(=O)c2ccncc2)cc1,MLS000518872-01,18,4.65,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1cccc2n1Cc1cc3ccccc3nc1-2,MLS000518353-01,18,2.4252,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2c(nc1C)CCCN2C[C@@H](C)ON=C1[C@H]2CCn3c(=O)n(-c4ccccc4)c(=O)n3[C@H]2[C@H](O)[C@@H]2O[C@H]12,MLS000439055-01,18,1.7293,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CON=C(C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)cc1,MLS000439030-01,18,8.7088,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(O)c(=O)c2ccccc2n1C,MLS000438992-01,18,1.5525,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1CCc1ccccc1,MLS000438769-01,18,4.0762,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CCC(C)=NO[C@@H](C)c2cc(-c3c(C)cc(C)cc3C)no2)cc1,MLS000438722-01,18,8.1963,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2n2c(-c3cccc(Cl)c3)nnc2n1Cc1ccccc1,MLS000418802-01,18,4.4129,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc(NN=C(C)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1,MLS000418660-01,18,3.1901,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(NC(=S)NN=Cc2ccc(N3CCOCC3)cc2)cc1)N1CCOCC1,MLS000418630-01,18,1.8646,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=CC1CC=CCC1)c1cc2ccccc2cc1O,MLS000418609-01,18,3.6173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(N=C1c2ccccc2CN1c1ccccc1)c1cccc([N+](=O)[O-])c1,MLS000418472-01,18,4.202,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/Nc1ccc(Cc2ccc(N/C=C/C(=O)C(F)(F)F)cc2)cc1)C(F)(F)F,MLS000418423-01,18,5.3914,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2C(=O)N1CN(C(=O)COc1ccc(Cl)cc1Cl)c1cccc(F)c1,MLS000418413-01,18,4.7982,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2cc(C(=O)OCC(=O)Nc3ccc(C#N)cc3)ccc2n1-c1ccccc1,MLS000418067-01,18,4.0011,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1F,MLS000418023-01,18,5.1092,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1cncc(N=c2scc(-c3cccc4ccccc34)n2CCCn2ccnc2)c1,MLS000418015-01,18,5.284,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C(=C/c1nnc2c3ccccc3ncn12)\c1ccccc1,MLS000417756-01,18,3.4479,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CNC(=O)/C=C/c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1,MLS000417639-01,18,3.3961,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)/C=C/c1cccc([N+](=O)[O-])c1,MLS000417555-01,18,4.7921,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O,MLS000417397-01,18,3.712,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(Cl)c(NC(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)c1Cl,MLS000417373-01,18,3.3738,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)C(C)OC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)c(OC)cc3OC)c2)cc1,MLS000417294-01,18,4.5948,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)N[C@H](C(=O)OCC(=O)c2ccc[nH]2)C(C)C)cc1,MLS000417142-01,18,2.5036,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCc1nc2ccc(Cl)cc2n1CCO)c1ccc(O)cc1,MLS000416853-01,18,2.7446,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSCCC(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCC(=O)c1ccc(C(C)C)cc1,MLS000416532-01,18,4.7893,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(c1ccc(OCC(=O)OCC(=O)Nc2ccc(Br)cc2)cc1)S(=O)(=O)c1cccs1,MLS000416520-01,18,3.8964,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(OC)cc(C(=O)Nc2nnc(N=C(S)Nc3ccccc3)s2)c1,MLS000416433-01,18,3.837,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CCc1nn(-c2ccc(Cl)cc2)c(N)c1C#N,MLS000416369-01,18,2.0457,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+S=C(NNc1ccnc2cc(Cl)ccc12)Nc1ccccc1Cl,MLS000416295-01,18,4.8551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1N1CCCC1,MLS000409077-01,18,3.7493,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)CCc1sc(NC2CCCCC2)nc1-c1ccc(OC)cc1,MLS000408962-01,18,4.6689,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2cc1OCC(=O)Nc1cccc(C)c1,MLS000402499-01,18,5.8424,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+S=C(NCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl,MLS000402375-01,18,5.1334,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(Cc1ccccc1)c1ccc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1,MLS000401545-01,18,3.4979,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1N=C([S-])/C(=C(\O)c1ccc(Cl)s1)[n+]1ccccc1,MLS000394924-01,18,5.8117,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O,MLS000394899-01,18,5.1061,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(N=C1c2ccccc2CN1c1ccc(F)c(Cl)c1)c1cccnc1Cl,MLS000394884-01,18,5.1347,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-n2c(SCC(=O)Nc3ncc(Cl)cc3Cl)nc3ccccc32)c1,MLS000394862-01,18,5.7665,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)NC(=O)c1ccc(OC(F)F)cc1,MLS000394677-01,18,2.1885,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(CNC2=NN=C(c3cc4ccccc4o3)CS2)cc1,MLS000394659-01,18,4.0295,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)C(NC2CCCc3ccccc32)c2ccccc2)c([N+](=O)[O-])c1.O=C(O)C(=O)O,MLS000394658-01,18,4.4058,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSCCC(NC(=O)c1ccccc1Br)C(=O)Nc1ccc(C)cc1,MLS000394618-01,18,4.2477,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCc2ccccc21,MLS000394499-01,18,4.5959,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCn1c(C)cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c1C,MLS000394432-01,18,3.0373,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(S(=O)(=O)N2CCN(C(C)C(=O)Nc3ccccc3-c3ccccc3)CC2)cc1,MLS000394272-01,18,4.8105,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(=O)COC(=O)CNC2=NS(=O)(=O)c3ccccc32)c(C)n1CCc1ccc(Cl)cc1,MLS000393855-01,18,3.4656,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NN=CCCc1ccccc1)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1,MLS000393375-01,18,4.8971,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CCCN(C(=O)COC(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1,MLS000393296-01,18,3.4993,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nc(C)c3c(O)nc(C(F)(F)F)nc32)cc1,MLS000393251-01,18,3.1567,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl,MLS000393249-01,18,3.4806,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3c(cc2C#N)C(=O)CCC3)c1,MLS000393231-01,18,3.1068,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN(CC1CC1)C(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1,MLS000393188-01,18,3.763,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)COC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1,MLS000393136-01,18,3.9033,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1sc2nc3c(SCCC#N)cc(C(=O)c4cc(F)ccc4O)cn3c(=O)c2c1C,MLS000393119-01,18,4.4758,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1nc(/C(Cl)=C/c2c(F)cccc2Cl)nc2cc(Cl)ccc12,MLS000393104-01,18,5.5182,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccs1)NCC12CC3CC(CC(C3)C1)C2,MLS000393067-01,18,4.0383,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1,MLS000392988-01,18,3.9459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)[n+](-c2ccc(C(C)C)cc2)c2[nH]c(=O)[nH]c(=O)c12,MLS000392834-01,18,-0.7627,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=[N+]([O-])c1ccc(/C=C2\CCC(C3=CCCC3)=C2N2CCOCC2)cc1,MLS000392782-01,18,4.4686,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1,MLS000392666-01,18,4.2626,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NN=C(S)NC1CCCCC1)c1ccc(C#N)cc1,MLS000392647-01,18,3.4904,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNc1nc2ccccc2[nH]1)c1cc2ccccc2o1,MLS000392534-01,18,4.1452,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(C(=O)CSc2nc(C)cc(C)c2C(N)=O)c(C)c1,MLS000392514-01,18,3.6976,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(NC(=O)c2ccccc2F)NC(=O)c2ccccc2F)cc1,MLS000392480-01,18,3.832,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C1=C(NC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O)c1ccccc1,MLS000392310-01,18,4.497,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)cc(NC(=O)C(Sc2ncnc3ccccc23)c2ccccc2)c1,MLS000392225-01,18,5.7187,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCOc1ccc(C2NC(S)=NC(C)=C2C(=O)c2ccccc2)cc1OC,MLS000392170-01,18,4.347,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1,MLS000392093-01,18,4.9633,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2nc(-c3ccco3)n3ccccc23)cc1,MLS000392030-01,18,4.2613,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(Cl)c(O)c2cccc3c4ccccc4n1c23,MLS000391964-01,18,3.4027,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NN=Cc1cccc2ccccc12)c1cccs1,MLS000391871-01,18,4.874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1[nH+]csc1CCOC(=O)C1C2CC3CC(C2)CC1C3,MLS000391662-01,18,0.0326,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1,MLS000391500-01,18,5.0178,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(NC(=O)C(Sc2nc3cc(C)ccc3[nH]2)c2ccccc2)c1,MLS000391374-01,18,5.9603,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+FC(F)(F)c1ccc(Oc2ccc3cc(Br)ccc3c2)nc1,MLS000391287-01,18,5.8084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1[nH]c(N=Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc12,MLS000391275-01,18,5.4281,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)c1ccc(CSc2nncn2C)cc1)c1ccc2ccccc2c1,MLS000390993-01,18,4.4146,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccccc1NC(=O)COc1c(Br)cc(Br)c2cccnc12,MLS000390960-01,18,4.649,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C=NNC(=O)C(=O)NN=CC(CC)CC)CC,MLS000390870-01,18,2.0628,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C(/O)COC(=O)c1ccc(C#N)cc1)c1nc2ccccc2s1,MLS000390863-01,18,3.8177,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C(=NN(c1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)s1,MLS000390851-01,18,4.7569,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(Oc1ccc2oc3ccccc3c2c1)C(=O)NC12CC3CC(CC(C3)C1)C2,MLS000390563-01,18,5.4383,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(/C=C(\S)Nc1ccccc1)=Nc1cccc2ccccc12,MLS000390278-01,18,5.8155,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(OC)c(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCS2)c1,MLS000390164-01,18,4.4985,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2[nH]c[n+](CC3CO3)c2-c2ccccc2)cc1,MLS000390150-01,18,-1.721,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1NN=Cc1ccc(C#N)cc1,MLS000390089-01,18,3.3127,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)C12CC3CC(CC(C3)C1)C2,MLS000390019-01,18,4.0182,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(N/C=C2/C(=O)N(c3nccs3)C(=O)c3ccccc32)c(C)c1,MLS000389801-01,18,4.7084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)NC2CCCC(C)C2C)cc1,MLS000389735-01,18,3.7273,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(OC(=O)c1cc(-c2cccnc2)nc2ccccc12)C(=O)Nc1ccc2ccccc2c1,MLS000389484-01,18,5.634,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(SC(C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nc2ccccc12,MLS000389217-01,18,4.196,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)c1ccc(CSc2cccc3cccnc23)cc1)C1CCCCC1,MLS000388891-01,18,6.2131,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)cc1,MLS000388885-01,18,4.5067,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)n2)n1,MLS000388871-01,18,4.6884,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ncnc2scc(-c3ccccc3)c12)NC1CCCc2ccccc21,MLS000388864-01,18,4.9309,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC2(CCCCC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1,MLS000388641-01,18,2.3495,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)sc(C)c1-c1ccc(C)cc1,MLS000375420-01,18,4.7919,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)C1Cc2ccccc2CN1C(=O)c1ccccc1)Nc1ccc(SC(F)F)cc1,MLS000375349-01,18,4.7503,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(NC(=O)COC(=O)/C(=C/c2ccccc2OC)c2ccccc2)cc1,MLS000375287-01,18,4.9801,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N=C(S)NN=Cc2c(Cl)cccc2Cl)c(C)c1,MLS000375193-01,18,5.1512,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(NC(=O)N(Cc2ccccc2)Cc2ccccc2)C(Cl)Cl)cc1F,MLS000374986-01,18,6.3909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=N)/C(C#N)=C(\O)COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12,MLS000374925-01,18,5.1965,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1ccc(N2Cc3ccccc3C2=NC(=O)Nc2ccc(Cl)cc2)cc1,MLS000374890-01,18,5.2106,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccc(Cl)cc1Cl,MLS000374868-01,18,4.6258,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COc1ccccc1C(=O)c1cnn(-c2ccccc2)c1)Nc1ccc2ccccc2c1,MLS000374850-01,18,5.274,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NN=Cc3ccc(OC(F)F)cc3OC(F)F)cc2)cc1,MLS000374648-01,18,4.7824,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccc(SC(F)F)cc1,MLS000374628-01,18,3.4676,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccccc1C=Nn1cnn(Cc2ccccc2Cl)c1=S,MLS000374294-01,18,3.7036,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cc(C(=O)N=Nc2c(O)[nH]c3c(Br)cc(Br)cc23)c2ccccc2n1,MLS000374289-01,18,6.4332,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C2=NN=C(Nc3cccc(S(=O)(=O)N(C)C)c3)SC2)cc1,MLS000339491-01,18,3.4183,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=Cc2ccc(O)c(O)c2O)c1,MLS000336733-01,18,1.5978,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cccc(CC)c1-n1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1cccnc1,MLS000336488-01,18,2.4087,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC(C)NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1,MLS000336353-01,18,4.846,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CCCn1cc(C(=O)Nc2ccccc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1,MLS000336274-01,18,4.3868,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=NNC(=O)c2cccc(OC(F)F)c2)sc2ccccc21,MLS000336220-01,18,3.0869,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1ccc(NC(S)=NN(c2ccccc2)c2ccccc2)cc1,MLS000336203-01,18,6.261,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=NNC(=O)c1ccc(C)cc1C)c1ccc2c(c1)Nc1ccccc1S2,MLS000336199-01,18,5.6656,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(C)(C)C)cc1NC(=O)CNc1cccc2ccccc12,MLS000336072-01,18,5.1965,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(/C=C/c1ccc(Br)o1)NC(c1ccccc1)c1ccccc1,MLS000335676-01,18,4.9611,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN(CC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1ccc(Cl)cc1Cl,MLS000335666-01,18,3.3815,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc(-c2csc3ncnc(-n4nnc5ccccc54)c23)cc1,MLS000335361-01,18,4.8547,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#C/C(=C\c1sc(N2CCOCC2)nc1-c1ccccc1)C(=O)Nc1cccc2ccccc12,MLS000335274-01,18,5.3456,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN=C(S)NN=Cc1sc(N2CCCCC2)nc1-c1cccs1,MLS000335256-01,18,4.0911,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(NC(=O)COC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1,MLS000335178-01,18,4.3505,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(C)[nH]c(C2=NN=C(Nc3ccccc3)SC2)c1C,MLS000335157-01,18,3.7272,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(NC(=O)c4cccs4)c(OC)c(OC)c3)c2C)cc1,MLS000335105-01,18,5.4734,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(SC(C(=O)Nc2ccc(F)cc2)c2ccccc2)nc2ccccc21,MLS000335082-01,18,5.1845,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(-c2ccccc2)cc2nc3ccccc3n2c1N,MLS000335078-01,18,3.6084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)CCCSc1nc2ccccc2[nH]1)Nc1cccc2ccccc12,MLS000334965-01,18,4.7703,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(NC(=O)COC(=O)/C=C/c2nc3ccccc3s2)cc1,MLS000334934-01,18,4.3376,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NC(c1ccccc1)c1ccccc1,MLS000334924-01,18,3.2105,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(c2ccc(OCC#N)cc2)C=C(c2ccc(OCC#N)cc2)n2nc(C(F)(F)F)nc2N1,MLS000334838-01,18,4.3318,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(CCC#N)C(S)=Nc1ccc(Oc2ccccc2)cc1,MLS000334821-01,18,4.2417,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NNC(=O)c1cccnc1,MLS000334803-01,18,4.3589,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2nc(CN3CCC(C)CC3)nc(Cl)c2c1C,MLS000334723-01,18,4.1934,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CC1C(=O)Nc1ccc(-c2ccccc2)cc1,MLS000334676-01,18,3.9481,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1)c1ccccc1Cl,MLS000334450-01,18,4.4582,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCc2sc(C(=O)NN=Cc3ccccc3[N+](=O)[O-])cc2C1,MLS000334297-01,18,3.545,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)NC1CCCCC1,MLS000334132-01,18,3.1701,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)n2c3ccc(Cl)cc3c3nc(C)sc32)cc1,MLS000332142-01,18,4.7582,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(/C=C/c2noc(-c3ccccc3O)n2)cc(OC)c1OC,MLS000331942-01,18,3.6384,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=NOC(COc3ccc(Cl)c4cccnc34)C2)cc1,MLS000331941-01,18,4.4688,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1[nH]c2nc(SCc3cccc(Cl)c3)ncc2c(=O)n1-c1ccccc1,MLS000331924-01,18,3.4147,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2ccc(F)cc2cc1C(=O)Nc1cccc(Cl)c1C,MLS000331810-01,18,4.8964,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)Cc1csc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)n1,MLS000331794-01,18,4.5055,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1c2c(sc1=O)C1c3ccccc3OCC1CS2)Nc1ccc(Cl)cc1,MLS000331717-01,18,4.4481,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=CN2C(=N)/C(=C\c3cn(CCCOc4ccccc4)c4ccccc34)C(=O)N=C2S1,MLS000331612-01,18,5.2774,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)N2c3ccccc3OCC2c2ccccc2)cc1,MLS000331323-01,18,4.324,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)N2CCC(NC(=O)OCc3c(Cl)cccc3Cl)CC2)cc1,MLS000331270-01,18,4.0815,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(Sc2ccccc2NS(=O)(=O)c2ccc(C)cc2)nc1,MLS000331258-01,18,4.1286,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCNC(=O)/C(C#N)=C2\N=C(NC(=O)c3cccs3)c3ccccc32)cc1,MLS000331037-01,18,3.5405,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cc(S(=O)(=O)c2ccccc2)c(N)nc1O,MLS000328051-01,18,1.0739,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(-c2ccccc2)nc(O)c1S(=O)(=O)c1ccc(Cl)cc1,MLS000328035-01,18,4.2488,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)n2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1,MLS000327975-01,18,3.9192,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccc(Cl)c(Cl)c1,MLS000327627-01,18,5.4801,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccccc1Cl)N(C(=O)c1ccccc1Cl)c1nccc(-c2cccs2)n1,MLS000327593-01,18,5.9991,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ncc2c(n1)-c1ccccc1OC2)c1ccc(Cl)cc1Cl,MLS000327487-01,18,4.5951,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cccc(Cl)c1CON=Cc1c(-c2ccccc2)nc2n1CCS2,MLS000327466-01,18,5.5133,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)ON=C2CCCCC2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,MLS000327219-01,18,5.0737,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1NC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)ccc1=O,MLS000327204-01,18,3.392,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cc(Sc2ccc(Br)cc2)nnc1-c1ccccc1,MLS000327125-01,18,5.7107,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(Cn2ccc(-c3ccc(Cl)cc3)c(C#N)c2=O)c1,MLS000327070-01,18,4.3971,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1,MLS000327016-01,18,5.6766,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C=NNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc1,MLS000327007-01,18,4.6411,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1nc(Oc2ccc3ccccc3c2)c2ccccc2n1,MLS000326953-01,18,5.2972,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc(N)c3c(-c4ccc(C)cc4)nn(C(C)(C)C)c3n2)cc1,MLS000326652-01,18,5.1143,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(ON=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl,MLS000326612-01,18,5.0828,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(Oc2nc3ccccc3n3cccc23)cc1,MLS000326463-01,18,4.9332,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccnc(NCc2cccc(C(F)(F)F)c2)c1C#N,MLS000326340-01,18,3.5928,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccc(Cl)cc2nc(-c2cccc(C(F)(F)F)c2)n1O,MLS000326267-01,18,3.973,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C(=O)NN(C)c1nc2ccccc2nc1C(F)(F)F,MLS000326239-01,18,3.7382,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccccc1)c1nnsc1[S+]([O-])c1ccc(Cl)cc1,MLS000326106-01,18,3.6105,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1[nH]c2cc(Cl)ccc2n(CCNc2ncc(C(F)(F)F)cc2Cl)c1=O,MLS000326002-01,18,3.5225,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)C1C=NOCc1c(F)cccc1Cl,MLS000325964-01,18,3.8554,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1ccc(/C(C#N)=C/c2ccccc2)s1,MLS000325889-01,18,4.0149,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(/C=C/c2nc3ccccc3[nH]2)c(Cl)c1,MLS000325842-01,18,5.0401,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(Br)c2c(F)cccc2c1-c1ccc(Cl)cc1,MLS000325769-01,18,5.039,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN=C(S)NNC(=O)c1sccc1OCc1cccc(C(F)(F)F)c1,MLS000325758-01,18,3.4959,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(-c2ccc(Cl)cc2)ccc(C#N)c1=O,MLS000325754-01,18,2.5774,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1c(Cl)cccc1Cl)c1cc(=O)n(Cc2ccccc2)c(=O)[nH]1,MLS000325605-01,18,3.144,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(SCc2ccc(Cl)cc2Cl)nc(C(F)(F)F)cc1=O,MLS000325543-01,18,4.3982,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cc(C#N)c(N2CCN(c3cccc(Cl)n3)CC2)nc1N,MLS000325470-01,18,1.7822,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)N1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O,MLS000325430-01,18,5.1419,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(SC1=N/C(=C/c2ccccc2OC)C(=O)N1c1ccccc1)C(=O)Nc1cc(C)on1,MLS000325370-01,18,4.8858,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(c2ccc(Cl)cc2)CC(=O)C1=CNCc1ccc(Cl)c(Cl)c1,MLS000325357-01,18,5.3361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc(Nc2ccc(-n3ccnc3)nn2)cc1Cl,MLS000325253-01,18,3.7127,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSC1CC(=O)N(CC(c2ccccc2)c2ccccc2)C1=O)Nc1ccc(Cl)cc1,MLS000325189-01,18,4.9713,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSC1=C(C#N)C(c2ccccc2Cl)C2=C(O)c3ccccc3C2=N1,MLS000325170-01,18,5.3074,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(N=c2oc3ccc(OC)cc3cc2-c2nc3ccccc3[nH]2)c1,MLS000325088-01,18,5.2257,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(C(=O)Oc2cccc(N3C(=O)C4C5CC(C(Br)C5Br)C4C3=O)c2)c1,MLS000325070-01,18,4.1967,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1C(=O)S/C(=C\c2c[nH]c3ccc(Br)cc23)C1=O)N1CCCC1,MLS000325037-01,18,3.5891,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(C[N+](=O)[O-])n2nc(C)cc2C)cc1,MLS000324966-01,18,2.6745,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=C(C)C1CC=C(C)C(=NNC(=O)CNc2ccc(OCC)cc2)C1,MLS000324963-01,18,3.9018,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C2NN=C(c3ccccc3)S2)ccc1OCc1ccc(F)cc1,MLS000324931-01,18,5.5002,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)Cn1nnc2c(sc3nc4c(c(-c5ccc(Cl)cc5)c32)CCC4)c1=O,MLS000324847-01,18,3.7734,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c2c(=O)oc(-c3ccccc3)cc2nn1-c1ccccc1,MLS000324827-01,18,3.2279,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)CC(=O)c2c(nc(SCC(=O)Nc3nsc(-c4ccccc4)n3)c(C#N)c2-c2ccccc2)C1,MLS000324772-01,18,6.0247,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-c2csc(NC(=O)c3cnccn3)c2C(=O)OC(C)C)c1,MLS000324673-01,18,4.331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(C)c1-n1c(C)cc(C=NN=C(N)S)c1C,MLS000324649-01,18,3.2894,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=Nc4ccccc4)N(Cc4cccnc4)C3=O)cc2)cc1,MLS000324542-01,18,6.2117,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)C(c1ccccc1)c1ccccc1,MLS000324521-01,18,6.0088,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(CNc2cccc3ccccc23)cc(Br)c1OCC(=O)NC(C)(C)C,MLS000324509-01,18,5.9066,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccc3c4c(ccc(c24)C(=O)N1NC(=O)C(F)(F)F)CC3,MLS000324507-01,18,2.1279,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC1=C(c2nc(O)c3ccccc3n2)C(=O)CN1c1ccccc1,MLS000124056-01,18,2.052,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(S(=O)(=O)N(C)C)cc4)C3)n2)o1,MLS000123859-01,18,2.4566,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1S(=O)(=O)NC1CCCC1,MLS000123521-01,18,4.0941,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCc1ccccc1)C(c1ccc(O)cc1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1ccc2c(c1)OCCO2,MLS000123454-01,18,3.9693,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc2ccccc2c1C1Nc2cccc3cccc(c23)N1,MLS000123229-01,18,5.2348,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(O)c2cc3ccccc3cc2n1,MLS000123225-01,18,2.797,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1Cl)c1ccc(Cl)cc1,MLS000123217-01,18,4.8059,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)n1nnnc1C(c1ccc(F)cc1)N(Cc1ccc(F)cc1)Cc1ccco1,MLS000122350-01,18,5.0911,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NNC(=O)CCS(=O)(=O)c1ccc2ccccc2c1,MLS000121588-01,18,0.9935,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)OC(=O)N(c2ccccc2)C12C=Cc1c(ccc3ccccc13)O2,MLS000121382-01,18,5.3771,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c2ccccc2nc(CSc2nnnn2-c2ccccc2)n1-c1ccccc1Cl,MLS000121112-01,18,4.3071,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cn1nnc(-c2cccs2)n1)NCCc1ccccc1,MLS000121064-01,18,1.7605,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCC1(C(=O)O)NC(c2ccccc2O)C2C(=O)N(c3cccc(Cl)c3)C(=O)C21,MLS000120656-01,18,3.1192,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1,MLS000120350-01,18,4.2414,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc2c(c1)N(Cc1nc(-c3cccc(C)c3)oc1C)C(=O)C1CCCN21,MLS000119689-01,18,4.2606,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)cc1,MLS000119621-01,18,3.7978,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc2c(c1)c1nc(SCC(C)C)n(CCO)c(=O)c1n2C,MLS000118903-01,18,2.6372,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(Br)o1)N1CCN=C1SCc1cccc(F)c1,MLS000117081-01,18,3.9264,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(N2CCN(c3nc4ccc(Cl)cc4n4cnnc34)CC2)c1C,MLS000116717-01,18,3.8743,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1sc(N2CCN(c3ccccc3F)CC2)nc2ccsc12,MLS000116183-01,18,3.1837,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)CCC(=O)c1oc2ccc(Br)cc2c1N,MLS000115314-01,18,2.9134,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1Cc1ccco1,MLS000113672-01,18,5.9339,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCNC(=O)C(C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O,MLS000113589-01,18,2.396,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)Cc1nnn(CC(=O)OCC)n1,MLS000113334-01,18,-0.6582,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(SCC(=O)Nc2cc(=O)n(C)c(=O)n2C)nnc1C12CC3CC(CC(C3)C1)C2,MLS000113161-01,18,1.4111,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,MLS000113120-01,18,1.8906,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(-n2cnnc2)nn1-c1ccccc1,MLS000112681-01,18,0.4302,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(SCCC(=O)O)c2ccccc2n1,MLS000112624-01,18,2.505,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2nc3ccccn3c2C(=O)N1Cc1ccccc1,MLS000112537-01,18,2.1305,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2ccc(Cl)cc2)ccc1O,MLS000112191-01,18,3.5482,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cccc(=O)c2c(C)n(Cc3ccco3)c(C)c12,MLS000111997-01,18,3.6583,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(NC(=O)Nc2ccccc2Cl)sc(=S)n1C,MLS000111660-01,18,4.4219,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(=O)OC2CCCC2)C(c2ccc(C)o2)C2=C(O)CC(c3cccs3)CC2=N1,MLS000111372-01,18,6.3372,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1=NCCS1)C1CC2CCC1C2,MLS000109972-01,18,1.6416,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)nc2ccccc21,MLS000109740-01,18,3.1111,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CCCCCC1C1(O)C(=O)Nc2ccccc21,MLS000109714-01,18,1.9757,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(C)n(C)c2c(C)cc(O)c(OC(=O)CC)c12,MLS000109607-01,18,2.9928,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(C)[nH]c2cc(Br)c(OC)cc12,MLS000109585-01,18,3.4241,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc2nn(-c3cccc4ccccc34)nc2c1,MLS000109464-01,18,3.1559,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1-c1n[nH]c(SCC(=O)O)n1,MLS000109306-01,18,2.0471,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C(N)Oc2c(sc3ccccc23)C1c1ccco1,MLS000109128-01,18,3.7125,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c2c(c(NCc3ccco3)n3c1nc1ccccc13)CCC2,MLS000109113-01,18,4.053,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nc3ccccc3[nH]2)s1,MLS000108949-01,18,3.5998,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1cc(NC(=O)c2cc(F)c(F)c(F)c2F)no1,MLS000108588-01,18,3.7808,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1,MLS000108548-01,18,3.0613,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)cc1,MLS000107853-01,18,4.2239,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+S=C(c1ccc(-c2ccccc2Cl)o1)N1CCOCC1,MLS000107654-01,18,3.6077,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1cnc2cc(-c3ccccc3)nn2c1C,MLS000107519-01,18,2.9073,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1ccc(-c2ncc(Cl)cn2)cc1,MLS000107365-01,18,3.9759,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1c2ccccc2NC2C1C(C(C)=O)C(=O)N2c1ccc(Cl)cc1,MLS000107238-01,18,3.5385,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nnc(COc2ccc(Br)cc2Br)s1,MLS000106991-01,18,3.2243,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Cn1c(=O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(O)c2ccccc21,MLS000106809-01,18,2.2628,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(CC(O)c1ccc2ccccc2n1)=NO,MLS000106733-01,18,2.5084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1,MLS000106403-01,18,4.1961,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(N=Cc2ccc(O)cc2O)c1,MLS000106378-01,18,2.857,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(OC(=O)CCC(=O)OCCCC(F)(F)C(F)(F)F)cc1,MLS000106165-01,18,4.2016,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c2no[n+]([O-])c2c(C)[n+]([O-])[n+]1[O-],MLS000105885-01,18,-1.6552,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1c(NCc2ccccc2)nc(=O)n(-c2ccccc2)c1C,MLS000105844-01,18,3.3556,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(C(=O)OCC)=C1OC(=O)c2ccccc21,MLS000105722-01,18,1.6943,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)o1,MLS000105644-01,18,1.8062,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(N)ccc1Cc1ccc(N)cc1OC,MLS000104874-01,18,2.459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(N)c(C(=O)c2ccc(Br)cc2)n2c1CCC2,MLS000104675-01,18,2.8817,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)n1c2ccccc2c2c1c1ccccc1n2C,MLS000104261-01,18,3.9463,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSCCC(N=CC1=C(O)CC(C)(C)CC1=O)C(=O)O,MLS000104255-01,18,2.4647,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1csc2nc(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)cn12,MLS000103899-01,18,1.9964,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12,MLS000103673-01,18,2.7418,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(NCc1csc(-c2cccnc2)n1)c1cccs1,MLS000102702-01,18,2.7451,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(NC(=O)c2cnc3sccn3c2=O)c1C,MLS000101975-01,18,2.6251,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2cc(CCNC(=O)c3ccco3)c(O)nc2c1C,MLS000101600-01,18,3.1227,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2cc(CCNC(=O)CC(C)(C)C)c(O)nc2cc1C,MLS000101562-01,18,3.6521,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)C1CCCCC1,MLS000101532-01,18,4.1342,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=NC(=O)c2ccco2)sc2cccc(F)c21,MLS000101506-01,18,2.713,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(Nc1[nH]cnc2ncnc1-2)c1ccccc1,MLS000101215-01,18,2.4776,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(CCO)CC1)n2CCSc1nc2ccccc2s1,MLS000101169-01,18,0.9396,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CC(=O)Nc2c3c(nn2C(C)(C)C)C[S+]([O-])C3)cc1,MLS000101034-01,18,2.5902,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)cc1,MLS000100086-01,18,3.1387,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(F)(F)F)nc(SCC(=O)NC2=NC(=O)C(C)S2)n1,MLS000100069-01,18,2.03,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCc1cccc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)oc12,MLS000099965-01,18,2.7127,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cn(-c2ccc(Br)cc2)nc1O,MLS000099962-01,18,2.6488,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O,MLS000099936-01,18,2.9638,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1,MLS000099894-01,18,0.9458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(NC1CC2CCC1C2)c1ccc(Br)s1,MLS000099708-01,18,2.9775,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1ccc(-c2nc(-c3ccccn3)no2)cc1)c1ccccc1,MLS000099097-01,18,4.0178,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1ccc(Cl)cc1)N1CCCCC(Sc2nnc(-c3ccc4c(c3)OCO4)o2)C1=O,MLS000098669-01,18,4.4323,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(=O)n2c(ccc3ccccc32)c1C#N,MLS000098309-01,18,2.6328,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2cnnc(SCc3cn4cccnc4n3)n2)cc1,MLS000097692-01,18,2.8736,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCC(=O)c1ccc[nH]1)c1ccc(Cl)cc1,MLS000097549-01,18,3.5139,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCNS(=O)(=O)c1ccc2[nH]c(SCC(=O)Nc3sccc3C#N)nc2c1,MLS000097502-01,18,3.3053,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C2C(C#N)=C(N)N3C(=O)CSC3=C2C(=O)Nc2ccccc2)cc1,MLS000097487-01,18,3.2118,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cnc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)s1,MLS000097409-01,18,2.3641,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(N=C(Nc1cc(N2CCOCC2)ncn1)c1ccccc1)c1ccccc1,MLS000097300-01,18,2.5608,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Sc1nc(C2CC2)nc2ccccc12,MLS000097294-01,18,2.7959,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(c1)n(S(=O)(=O)c1cccs1)c(=O)n2S(=O)(=O)c1ccsc1,MLS000097200-01,18,2.7084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2n[nH]c(Nc3ccccc3)n2)cc1,MLS000097050-01,18,3.5237,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Nn2c(C)ccc2C)cc1,MLS000096857-01,18,2.3458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnnn21,MLS000096800-01,18,3.2251,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(N)oc(-c2cccs2)c1-c1cccs1,MLS000096525-01,18,4.1905,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc(N2CCN(c3ncnc4sc5c(c34)CCC5)CC2)cc1,MLS000096446-01,18,3.2122,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1Oc2ccc(C)cc2N(CC(=O)NCc2cc(OC)ccc2OC)C1=O,MLS000096165-01,18,2.8326,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(Sc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)C(=O)Nc1cccc(OC)c1,MLS000095345-01,18,4.2845,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O)NCc1ccco1,MLS000094888-01,18,4.0171,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(O)=C2/C(=O)N(C)C3(C)CC2c2ccccc2O3)cc1,MLS000094858-01,18,4.275,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCC(NC(=O)CN2C(=O)C3CCCN3c3ncc(Cl)cc32)CC1,MLS000094304-01,18,2.7453,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1c2ccc(C)n2CCN1C(=O)Nc1cc(Cl)ccc1OC,MLS000094291-01,18,4.4573,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccc(-n2c(O)nc3c(C(N)=O)nc(CC(C)C)nc32)c1,MLS000094145-01,18,2.1269,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)N1CCC2(CC1)CC(=O)c1c(ccc3oc(C(=O)O)c(C)c13)O2,MLS000093697-01,18,3.3957,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)N1CCN(C(=O)CN2C(=O)CC(C)(C)S(=O)(=O)c3ccccc32)CC1,MLS000093459-01,18,1.2763,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)C1c1cccs1,MLS000092399-01,18,4.0529,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCc1nc(-c2cccs2)no1)Nc1cnc2ccccc2c1,MLS000091652-01,18,3.9176,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2cc(-c3ccccc3)nc2O)cc1F,MLS000090525-01,18,3.6924,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2o1,MLS000089658-01,18,4.3637,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,MLS000089194-01,18,4.5951,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C1=NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1)c1ccc(O)cc1,MLS000088894-01,18,3.6177,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)sc2=S)cc1,MLS000088131-01,18,4.4128,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CC2(CC(C)(C(=O)CSc3nc4ccccc4s3)OC2=O)C(=O)O1,MLS000088058-01,18,2.9849,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)COC(Nc2ccc(Cl)cc2)=N1,MLS000087970-01,18,2.9167,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1C(=O)c2cccc3c(NC(=O)c4ccc5c(c4)OCCO5)ccc1c23,MLS000087913-01,18,3.8434,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(c2ccc3c(c2)OCO3)Sc2nc3ccccc3n21,MLS000087910-01,18,3.6423,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1cccc(Cl)c1)c1ccc2c(=O)n3c(nc2c1)CCCCC3,MLS000086248-01,18,4.0286,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(-c2ccccc2)nnn1-c1nc(OCC)nc(N2CCCCC2)n1,MLS000085852-01,18,2.685,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOC(=O)NC(CC)COC(=O)Nc1cccc(C)c1C,MLS000085334-01,18,3.7667,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(c1)c1c(n2CC(O)Cn2c(C)nc3ccccc32)C(=NO)CCC1,MLS000085276-01,18,4.1835,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc2c(c1)N=C1CC(C)(C)CC(O)=C1C(c1ccncc1)N2,MLS000085243-01,18,4.7396,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)CC(=O)c2c(n[nH]c2-c2cccs2)C1,MLS000085242-01,18,3.2933,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(Sc1nc(C)cc(O)n1)C(=O)Nc1nc2c(s1)CCCC2,MLS000085222-01,18,3.3353,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Sc1nnc(-c2cccc(Br)c2)o1,MLS000085023-01,18,2.7878,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccccc1NC(=O)Cn1ccnc1,MLS000084973-01,18,1.3084,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C/C(=C/N(C)c2ccccc2)C(=O)S1,MLS000084901-01,18,3.1839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1cc(O)nc(O)n1,MLS000084786-01,18,1.0667,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)c(-c2nc3cc(N)ccc3[nH]2)c1,MLS000084769-01,18,3.4289,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC1=CC(=O)c2cccc3cccc1c23,MLS000084699-01,18,2.3357,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)CC(=O)C2=C(C1)N=C(Nc1nc3ccccc3o1)NC21CCCCC1,MLS000084234-01,18,4.545,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CN2CCN(c3cc(C)nc4c5c(C)cc(C)nc5nn34)CC2)cc1F,MLS000083958-01,18,3.6727,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSc1ccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccccc2)cc1,MLS000083923-01,18,4.5717,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(CCN2CCCCCC2)nc2cc(NC(=O)Nc3ccccc3)ccc21,MLS000083602-01,18,4.6358,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,MLS000083505-01,18,4.3412,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCC(C)C2)cc1,MLS000083215-01,18,3.9133,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc(N(CC)CC)cc2)C1=O,MLS000083198-01,18,2.8732,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1csc(Cc2nn3c(-c4[nH]nc5c4CCC5)nnc3s2)c1,MLS000083002-01,18,2.7169,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CCn1cnc2c3c(Cl)cccc3nc-2c1O,MLS000082951-01,18,3.9412,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2nc(C)c3c2NC(=O)CSC3c2ccc3c(c2)OCO3)cc1,MLS000082564-01,18,3.9925,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)C=Nc1cnc(C(=O)c2ccc(Cl)cc2)n1C,MLS000081931-01,18,2.5259,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CSc1nnc(-c2cccs2)n1CC1CCCO1)c1cc2ccccc2o1,MLS000081724-01,18,4.9068,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S1(=O)c2cccc3cccc(c23)N1Cc1nnc(-c2ccccc2Br)o1,MLS000081705-01,18,4.3612,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CC(C)O3)C1c1ccncc1,MLS000081519-01,18,3.7152,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1n[nH]c(-c2[nH]nnc2Cl)n1,MLS000081467-01,18,0.8966,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1,MLS000081194-01,18,3.9005,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1CCCCN1c1nc(-c2cccc(OC)c2O)nc2ccccc12,MLS000081082-01,18,4.7799,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OC1(c2cccc(C(F)(F)F)c2)CCN(c2[nH]cnc3c4cc(F)ccc4nc2-3)CC1,MLS000080973-01,18,4.7086,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1cccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)c1,MLS000080697-01,18,3.9042,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1C(=O)/C(=C/N2CCc3ccccc32)SC1=S,MLS000080529-01,18,2.7707,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(NC3=NCN(CCc4ccccc4)CN3)nc(C)c2c1,MLS000080277-01,18,3.0774,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(N=Cc2ccco2)sc2c1CCC2,MLS000079965-01,18,3.4521,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)COn1c2c(c3c4no[n+]([O-])c4ccc31)CCCC2,MLS000079676-01,18,1.2864,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(O)c(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)c1,MLS000078859-01,18,2.7879,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCc2cccc3c2N1c1cc(C#N)c(C#N)cc1O3,MLS000078720-01,18,4.0085,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=Nc1ccc(O)cc1)c1sc2ccccc2c1O,MLS000078590-01,18,4.4532,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)OC(=O)Cn1cnc2ccc(Br)cc2c1=O,MLS000078519-01,18,2.1106,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2c(cc1OC)CN(C(=O)CSc1nc(N)c(C#N)cc1C#N)CC2,MLS000078492-01,18,2.1014,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1cc(O)nc(SC23CC4CC(CC(C4)C2)C3)n1,MLS000078318-01,18,2.9487,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1N1CCN(Cc2c(C#N)c3ccccc3n2C)CC1,MLS000078246-01,18,3.6806,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2,MLS000077652-01,18,4.5352,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(c1cccs1)N(CC1CCCO1)c1nc(-c2ccccc2)cs1,MLS000077221-01,18,4.6974,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1nc2cc3ccccc3cc2[nH]1,MLS000076421-01,18,3.8395,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCN(C(=O)c1ccco1)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1,MLS000075381-01,18,4.2708,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccccc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1,MLS000075042-01,18,2.6326,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2(NC(C)=O)CCN(C(=O)CCC(=O)O)CC2)cc1,MLS000075022-01,18,1.5138,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)NC1CC2CCCC(C1)N2S(=O)(=O)c1cccc(F)c1,MLS000074528-01,18,2.036,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(c1)N(CC(=O)N1CCN(c3nc4ccccc4s3)CC1)C(=O)C(C)O2,MLS000074449-01,18,3.0674,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)c2sc(Nc3cccc(C(F)(F)F)c3)nc2N)no1,MLS000074422-01,18,4.0364,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2nc(CN(CCc3ccccc3)C(=O)c3ccco3)nc(O)c2c1C,MLS000074327-01,18,4.4918,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCC2C)c1,MLS000073788-01,18,3.0471,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCSc1nsc(SCCC)c1C(N)=O,MLS000073609-01,18,3.2462,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccccc2Cl)cc1)N1CCCC1,MLS000073349-01,18,4.1086,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nnnn1N=C/C(Br)=C/c1ccccc1,MLS000072878-01,18,1.5252,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(c2cccs2)Nc2sc3c(c21)CCCC3,MLS000071954-01,18,3.5425,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CCNC(=O)CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1,MLS000071833-01,18,2.4127,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c2c(c(S)n(-c3ccccc3)c1=N)CCC2,MLS000071297-01,18,2.9109,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(C(=O)CSc1nnc(Cn2nnc3ccccc32)o1)c1nc(-c2ccccc2)cs1,MLS000071011-01,18,4.1313,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1cc(-c2cc(-c3ccc(N)cc3)nc(N)c2C#N)ccc1O,MLS000070410-01,18,3.556,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(N2CCN(c3ccccc3)CC2)nc(-c2ccccc2O)n1,MLS000070127-01,18,3.4842,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1,MLS000069474-01,18,1.0225,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC1=CC(=O)OC(/C=C/c2ccccc2)C1,MLS000069449-01,18,2.5456,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)N1CCc2c(sc(N)c2C#N)C1,MLS000069163-01,18,1.9685,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C(N)SC(N)=C(C#N)C1CCC1CCCCC1,MLS000068932-01,18,3.0977,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(C(=O)c1ccco1)c1nc(CC(=O)Nc2ccc(Cl)cc2)cs1,MLS000068674-01,18,4.2374,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2c(cc1C)CSC(c1c(O)ccc3ccccc13)SC2,MLS000068614-01,18,6.341,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C(c2ccc(C)o2)c2ccc(C)o2)c(O)c([N+](=O)[O-])c1,MLS000068596-01,18,4.5919,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2csc(N3CCC(NS(=O)(=O)c4ccc5c(c4)OCCO5)CC3)n2)cc1,MLS000068112-01,18,3.837,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(CCSc1nc2ccccc2s1)c1nc2ccccc2s1,MLS000067782-01,18,4.472,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2ncccc2O)cc1,MLS000067703-01,18,2.4628,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nn(-c3ccccc3)c3nc(O)c(CNCc4ccccc4)cc23)cc1,MLS000067457-01,18,5.3913,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)cc1)N1CCCC1,MLS000067441-01,18,3.4429,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1c(-c2cc(-c3ccco3)[nH]n2)ccc2ccccc12,MLS000066829-01,18,4.1955,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1cccnc1)c1cc2ccccc2oc1=O,MLS000066727-01,18,2.4072,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C(C)C)cc1S(=O)(=O)n1nc(C)cc1C,MLS000066721-01,18,3.259,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)C1CCCN(C(=O)c2cc3ncc(Br)cn3n2)C1,MLS000066626-01,18,1.9071,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(-c2n[nH]c(SCC(=O)N3CCOCC3)n2)cc1,MLS000066573-01,18,1.4312,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(CN2CCN(C(=O)C3CCCO3)CC2)cc1,MLS000066273-01,18,1.8182,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOCCSc1nnc2nc(C)cc(C)n12,MLS000066192-01,18,1.8697,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nnc(NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)s1,MLS000066022-01,18,2.6673,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1F,MLS000065477-01,18,2.2854,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cccn2cc(CNc3ccccc3)nc12,MLS000065470-01,18,3.2548,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(NC(=O)C2CC(=O)N3CCCN=C3S2)cc1,MLS000064652-01,18,2.5077,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(Nc2nc(O)c3c(n2)CCCC3)cc1,MLS000064190-01,18,3.2033,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOc1ccc(C(=O)N2CCN(c3ccc(N)cc3Cl)CC2)cc1,MLS000064063-01,18,3.6734,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CC1NC2CCCCC2NC1=O)Nc1ccc2c(c1)OCO2,MLS000063892-01,18,1.1431,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc(CNc2ccc(Br)cn2)cc1,MLS000063287-01,18,4.3024,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)NCCSc2nnc(N)s2)cc1,MLS000063202-01,18,1.4993,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(N2C(=O)CCC2=O)n(-c2ccccc2)n1,MLS000062702-01,18,1.8341,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(NS(=O)(=O)c1ccc(OC)cc1)C(=O)O,MLS000062664-01,18,0.8367,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S1(=O)C=C(Sc2nc3ccccc3s2)c2ccccc21,MLS000062663-01,18,4.1743,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(N2C(=O)CC(c3c[nH]c4ccccc34)C2=O)c1,MLS000062287-01,18,3.2236,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc2oc(C(=O)c3ccccc3)c(N)c2c2c1COC(C)(C)C2,MLS000061807-01,18,3.8007,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccn2c(c1)nc1c2nc2ccccn21,MLS000061634-01,18,2.1352,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)CN(C)Cc1c[nH]c2ccccc12,MLS000061105-01,18,2.1628,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)o1,MLS000061062-01,18,3.4878,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(CSc3nnc(C4CC4)n3N)cc(=O)oc2c1C,MLS000060504-01,18,2.8848,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)C(=O)C=c1[nH]c(=O)c(=Cc2ccc(C#N)cc2)s1,MLS000060489-01,18,1.5326,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc2nc(-c3nc4ccccc4o3)ccc2c1,MLS000059165-01,18,4.043,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CC1=C(N)N(c2ccc(Oc3ccccc3)cc2)C(=O)C1,MLS000058663-01,18,2.9095,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(-c2cn3ccsc3n2)cc1,MLS000058548-01,18,3.6876,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1cc(-c2ccccc2)nc2nc3ccccc3n12,MLS000058336-01,18,3.2551,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2sc3ccccc3c2=O)cc1S(=O)(=O)N1CCCCC1,MLS000057572-01,18,3.5352,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1,MLS000057330-01,18,1.1197,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1sc2nc(-c3cccs3)nc(N3CCCN(C)CC3)c2c1C,MLS000056180-01,18,4.1785,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C1=Nn2c(nnc2C2CCCCC2)SC1,MLS000056086-01,18,3.6925,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(/C=C/S(=O)(=O)N2CCC(C(=O)O)CC2)cc1,MLS000056029-01,18,2.0921,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)OCc2cn3ccccc3n2)cc1,MLS000055259-01,18,2.9997,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Clc1ccc2nc(CN3CCCc4ccccc43)cn2c1,MLS000055158-01,18,4.5184,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)/C=C1\SCC(=O)N1Cc1nnc(-c2ccccc2Br)o1,MLS000055139-01,18,2.979,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)N1CCN(c2ccc(O)cc2)CC1,MLS000055080-01,18,4.0341,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(-c2ccc(F)cc2)coc2c3c(ccc12)OCCO3,MLS000054978-01,18,3.3703,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)CCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3,MLS000054691-01,18,2.8228,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+FC(F)(F)c1cnc2c(c1)Nc1ccccc1S2,MLS000054601-01,18,4.3086,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(NC2=Nc3ccccc3CS2)cc1,MLS000054599-01,18,4.033,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN1C(=O)CC(C(=O)Nc2ccc(F)cc2)SC1=Nc1ccc2c(c1)OCO2,MLS000054464-01,18,3.1445,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(N=c1ccccn1C(=O)Nc1ccc(Cl)cc1)c1ccco1,MLS000054462-01,18,4.4766,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,MLS000054427-01,18,0.5766,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc2c(cc1Cl)SC(NCCCN1CCOCC1)=NS2(=O)=O,MLS000054165-01,18,1.5889,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(NCCCN3CCOCC3)c(C=NCCCN3CCOCC3)c(=O)n2c1,MLS000054072-01,18,1.2783,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)S(=O)(=O)c1cc(C(=O)NCCCn2ccc3ccccc32)ccc1Cl,MLS000053808-01,18,3.3651,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc2c(O)nc(CN3c4ccccc4CC3C)nc2c1,MLS000053724-01,18,3.0732,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)S(=O)(=O)c1ccc2[nH]c(COC(=O)c3[nH]nc4ccccc34)nc2c1,MLS000053400-01,18,2.8267,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccc2ncsc2c1,MLS000053310-01,18,2.8019,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)CC(=O)C(CC2=C(O)CC(C)(C)CC2=O)C(=O)C1,MLS000052976-01,18,3.1521,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(CCn2c(N)cc(=O)[nH]c2=S)cc1OC,MLS000052933-01,18,1.748,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cccc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3)nc2N)c1,MLS000052866-01,18,2.8944,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccccc1NC(=O)CSc1nc(NC(=O)c2ccccc2)c2c(C)c(C)oc2n1,MLS000052700-01,18,4.6093,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2cccc(C#N)c2)o1,MLS000052598-01,18,5.3766,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)oc1ccc(S(=O)(=O)N3CCCC3)cc12)C1CC1,MLS000052020-01,18,3.719,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1cc(NC(=O)c2cnccn2)cc(C(=O)OCC)c1,MLS000051705-01,18,2.0823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)COc1cc(C)cc2oc(=O)c(CC(=O)OC)c(C)c12,MLS000050917-01,18,1.6771,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1cc2c(cc1Cn1c(-c3cncs3)nc3ccccc31)OCO2,MLS000050444-01,18,4.6993,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1ccc(CSc2nc(N)cc(N)n2)cc1,MLS000050378-01,18,1.7199,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCc1cn(S(=O)(=O)c2ccc(OC)cc2OC)nc1N,MLS000050240-01,18,1.672,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(N2CCc3ccccc3C2)nc(O)c1CCC(C)C,MLS000050148-01,18,3.6419,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2C(=O)CC(N3CC=C(c4ccc(F)cc4)CC3)C2=O)cc1,MLS000049387-01,18,3.4236,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(Cl)cc(Br)c1OCCCCn1cncn1,MLS000049321-01,18,3.8616,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C)n1NC(=O)c1ccccc1Cl,MLS000049072-01,18,3.1422,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCc1cccs1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2,MLS000048820-01,18,3.6771,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1c2ccccc2c2cc(C3C(C#N)=C(C)NC(C)=C3C#N)ccc21,MLS000048736-01,18,5.0964,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1nc2ccccc2s1)c1ccc(O)cc1O,MLS000048617-01,18,3.1329,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(c1ccc(Oc2ccc3oc4ccccc4c3c2)nc1)N1CCCC1,MLS000048387-01,18,4.5578,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(N2Cc3ccccc3C2)cc1O,MLS000048191-01,18,3.0891,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccccc1N1CC(=O)C(c2nc3ccccc3s2)=C1N,MLS000048187-01,18,3.4116,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ccc2c(c1)OCO2)c1ccc(COc2ccc3c(c2)CCC3)o1,MLS000048173-01,18,4.3283,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(N)CCc2ccc(C)o2)cc1,MLS000047672-01,18,3.651,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCn1c(=O)c(Cc2ccccc2)c(O)c2ccccc21,MLS000046992-01,18,4.098,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(-n2c(S)nnc2-c2cccnc2)cc1,MLS000046878-01,18,2.9264,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)n1,MLS000046862-01,18,3.6579,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCN3CCCC3)ccc2N2CCCCC2)cc1,MLS000046506-01,18,3.6117,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccc(Br)cc1,MLS000046006-01,18,2.8782,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1CC1)C1CSC(c2cccnc2)=N1,MLS000045986-01,18,1.2222,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1cccc1C1(C(F)(F)F)NCCNC1=O,MLS000045636-01,18,0.5021,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1,MLS000045600-01,18,4.8871,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=c1oc2c3c4c(cc2cc1C(=O)Nc1ccccc1)CCCN4CCC3,MLS000045443-01,18,3.8634,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCN1Cc2cccc(C(=O)Nc3ccc(C)c(C)c3)c2C1=O,MLS000044990-01,18,3.1579,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC1CCCCN1CCCNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12,MLS000044685-01,18,4.0591,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1nc(NC2CCCCC2)nnc1Cc1ccccc1,MLS000044311-01,18,2.9126,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)NC2(C(F)(F)F)Oc3ccc(Cl)cc3O2)no1,MLS000044271-01,18,3.4454,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC(=O)NC(=O)c2cccc(OC(F)(F)C(F)F)c2)[nH]n1,MLS000043927-01,18,2.9167,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1nc(Nc2ccccc2)cc2ccccc12,MLS000043701-01,18,3.684,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2nnc3sc(-c4csc5c4CCCC5)nn23)cc1,MLS000043569-01,18,4.4601,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C(N)=O)C(c2ccc3c(c2)OCO3)n2nc(-c3cccc(C)c3)nc2N1,MLS000043151-01,18,2.7564,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)c1cc2cc(O)ccc2o1,MLS000043019-01,18,2.341,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(Cl)cc1N1C(=O)[C@@H]2C(c3cccc(OC)c3OC)=NO[C@@H]2C1=O,MLS000042306-01,18,2.6583,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-n2ncc3c2ncn2nc(-c4ccco4)nc32)cc1,MLS000041701-01,18,2.7232,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccccc1N1CCCC1,MLS000041643-01,18,3.0047,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1[nH]cnc2c3cc(F)ccc3nc1-2,MLS000041486-01,18,3.3807,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC(=O)Nc1nn(C)c2nc3c(C)cccc3cc12,MLS000040561-01,18,3.5586,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2cc(CN(C(=O)c3cccnc3)C(C)C)c(O)nc2c1,MLS000040445-01,18,3.6946,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCOn1c(OCC(C)C)nc2ccccc2c1=O,MLS000040338-01,18,2.2699,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ncnc2c1N1CCC2CC1,MLS000040276-01,18,1.3014,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCCO2,MLS000040223-01,18,4.3342,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(C2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC(=O)C1CC1,MLS000039955-01,18,2.6504,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C(=O)COC(=O)CN2CC(=O)Oc3ccccc32)cc1Br,MLS000039816-01,18,2.6092,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nnc(C)c2c(C)n(Cc3ccc4c(c3)OCO4)c(C)c12,MLS000039676-01,18,3.442,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1OCC(O)Cn1c(=N)n(Cc2ccccc2)c2ccccc21,MLS000039425-01,18,3.8409,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(-c2ccc(Cl)cc2)[n+]([O-])c2ccccc2n1O,MLS000039345-01,18,2.1926,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2CCN(c3ccc(C)cc3)C(CC(=O)O)C2=O)cc1,MLS000039087-01,18,2.9999,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+FC(F)(F)C12CC(c3ccccc3)=NCCN1CCN2,MLS000038803-01,18,2.0432,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccc(-n2nnnc2S)cc1N1CCCC1,MLS000038789-01,18,1.6903,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2sc3nc4ccccc4n3c2C(=O)N1c1ccccc1Cl,MLS000038506-01,18,4.003,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CC(c2ccco2)CC(O)=C1C=Nc1cc(Cl)ccc1O,MLS000037985-01,18,4.2997,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)Nc2ccc(O)cc2-c2c1ssc2=S,MLS000037976-01,18,4.5723,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)c1cc2cc(Cl)cc(Cl)c2oc1=O,MLS000037877-01,18,2.798,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2c(c1C)NC(C)CC2C,MLS000037656-01,18,4.0328,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(N2CCN(c3nc(NCc4ccco4)c4ccccc4n3)CC2)cc1,MLS000037270-01,18,4.5833,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc2c3c(cccc13)CC2,MLS000036985-01,18,2.5206,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)c1cc(Br)c(=O)n(-c2cc(C)on2)c1,MLS000036873-01,18,1.683,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1ccc(O)c(N)c1,MLS000036528-01,18,2.2719,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1c(Br)cc2oc(-c3ccccc3)nc2c1Br,MLS000036498-01,18,4.602,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NCC1(c2ccc3c(c2)OCCO3)CCCC1,MLS000036309-01,18,2.6501,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)(C)c1nnc2sc(SCC(=O)c3ccccc3)nn2c1=O,MLS000036299-01,18,2.8185,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccncc1,MLS000036172-01,18,1.7523,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCN1CCC(c2ccccc2)C1)c1cccs1,MLS000035953-01,18,4.2322,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccccc1C=NC1=NN(c2cccc(C(F)(F)F)c2)CC1,MLS000035546-01,18,4.0537,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(N2CCC(C(=O)NC3CCCCC3)CC2)nc(-c2ccccc2)n1,MLS000035243-01,18,4.1173,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)c(C(=O)Nc2ncccc2O)c(O)c2ccccc21,MLS000034916-01,18,1.597,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C(c1nnnn1C1CCCCC1)N1CCc2ccccc2C1,MLS000034606-01,18,3.9337,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCCOc1ccc(Cl)cc1)Nc1nncs1,MLS000034026-01,18,2.9892,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Nc1ncnc2sc3c(c12)CCCCC3)c1ccco1,MLS000033997-01,18,3.8055,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Cc1nc(N2CCC(C(N)=O)CC2)c2nnn(Cc3ccccc3)c2n1,MLS000033979-01,18,2.1698,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)c1nc(C#N)c(NCCCn2ccnc2)o1,MLS000033843-01,18,2.3684,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(NC2C3CC4CC(C3)CC2C4)n2nnnc2n1,MLS000033680-01,18,2.0643,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+OC(COc1ccc2ccccc2c1)Cn1ccnc1,MLS000033095-01,18,2.4762,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1,MLS000032476-01,18,3.4321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)C2(C(=O)O)CCCC2)cc1C,MLS000032265-01,18,2.4745,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)C(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1.O=C(O)C(=O)O,MLS000031891-01,18,3.5016,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)cc1,MLS000030752-01,18,2.8623,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Oc1ccc2[nH]cc(CCN3C(=O)c4ccccc4C3=O)c2c1)c1ccco1,MLS000030577-01,18,3.8188,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3,MLS000030560-01,18,4.4577,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1ccc2c(C)c(-c3ccc(N)cc3)c(=O)oc2c1,MLS000028293-01,18,4.1968,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(-c2nc3nonc3c3nc4ccccc4n23)cc1,MLS000028260-01,18,3.0857,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2n(n1)C(c1cn(-c3ccccc3)nc1C)Nc1ccccc1-2,MLS000027880-01,18,4.325,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1cccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)c1C#N,MLS000027690-01,18,4.3447,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1OC.O=C(O)C(=O)O,MLS000027206-01,18,2.9494,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)CC(=O)c2cccc(F)c2)c(O)c1,MLS000026870-01,18,3.2954,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1,AB08080842-01,18,6.2036,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c2ccccc2c(C)c2c1ccc1ccccc12,AB08006839-01,18,5.763,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1,AB08001240-01,18,7.2914,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl,AB07990179-01,18,4.4814,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O,AB07944725-01,18,2.3627,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C=Nc1ccc(Cl)c(Cl)c1,AB07944095-01,18,2.9607,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Brc1cc(Oc2cc(Br)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br,AB07942157-01,18,9.5789,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1c(Br)c(Br)c(Br)c(Br)c1Br,AB07935820-01,18,5.2047,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccc(O)cc1,AB07930241-01,18,0.9744,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1ccncc1,1727,18,0.6638,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCCCCCCCCCCCC(O)C(N)CO,3126,18,4.1482,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,3598,18,6.609,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1,5546,18,0.8334,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Nc1cccc(N)c1,7935,18,0.851,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)C(=S)[S-].CN(C)C(=S)[S-],8722,18,0.7571,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(N=O)cc1,8749,18,2.1505,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+[O-]n1ccccc1=S.[O-]n1ccccc1=S,26041,18,0.4491,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2ccccc2C(=O)N1SC1CCCCC1,28777,18,3.2635,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O,123814,18,1.1874,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc2c1[C@@H]1CN(CCCCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@@H]1CO2,172306,18,4.6801,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc2cc3c(NCCN4CCOCC4)ccnc3cc2c1,182791,18,3.1321,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1cc(CSSCc2ccncc2)ccn1,199500,18,3.5582,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CN2CCN(CC2)CC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccc(cc2)NC(=O)CN2CCN(CC2)CC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccc(cc2)N1,235431,18,2.0552,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Nc1nc(C#N)nc(NC(C)C)n1,644401,18,1.3839,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN1CC=C2C(C1)C(c1ccc(Cl)s1)C(C#N)=C(N)C2(C#N)C#N,646132,18,3.1467,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(C(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)cc1,649762,18,3.3386,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOC(=O)Cn1c(=O)c2c(nc3n2CCCCN3c2ccc(C)cc2)n(C)c1=O,657697,18,2.4803,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2,658111,18,2.4997,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCCC2,658171,18,3.3572,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)Cc1cc(=O)n(-c2nc3ccccc3s2)[nH]1,663162,18,1.8809,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cccc(OC)c1-c1nn2c(-c3cc(-c4ccccc4)n[nH]3)nnc2s1,665493,18,3.9271,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)c1nc(C#N)nc(N(CC)CC)n1,687903,18,1.4357,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)n1cc(/C=C2/N=C(c3ccccc3)OC2=O)c2ccccc21,695432,18,3.6459,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1nc(N)nc(N(c2ccccc2)c2ccccc2)n1,712283,18,2.7953,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(C(=O)ON=C2C=C(C)C(=O)C(C)=C2)cc(OC)c1OC,747951,18,2.7005,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc2c(C)cc(=O)oc2c2c1NCCC2,760021,18,2.7679,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc2cc(C(N)=O)c(N)nc2cc1OC,781584,18,0.9331,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Fc1ccccc1-n1[nH]nnc1=S,781875,18,1.464,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N#Cc1c(N)sc(=S)c2c1CCN(Cc1ccccc1)C2,787437,18,3.4898,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=NC(Nc2nc(C)c3ccccc3n2)=NC(C)(C)C1,793621,18,3.3493,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1O/C(=C/c2ccccc2)N=C1c1ccccc1,851756,18,3.0311,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1cc2c(=O)[nH]c(-c3ccncc3)nc2s1,852941,18,2.609,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=C(C)C[S+]([O-])N(c2ccc(S(N)(=O)=O)cc2)C1,853746,18,1.1541,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC(=O)/C=C1\SC(NC(=O)c2cccc(Cl)c2)=NC1=O,875226,18,1.7561,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCNc1cc2oc(=O)c(CN3CCOCC3)c(C)c2cc1C,888356,18,2.6738,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cnn(C(=S)NCCc2ccccc2)c1,978115,18,2.1568,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)NCc2cn(C)nc2C)cc1COc1ccc(Cl)cc1Br,1001185,18,5.0616,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(OC(=O)c2cccs2)c1,1016780,18,4.7355,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nn(-c2nnc(NCc3ccccc3)nn2)c(C)c1Br,1046666,18,2.4437,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)C(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1,1242771,18,2.927,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1[nH]n(-c2ccccc2)c(=O)c1/C=C1/C(=O)NN(c2ccc(F)c(Cl)c2)C1=O,1340892,18,2.7279,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1C(=C2CCCCC2)SC(=S)N1Cc1ccco1,1346866,18,3.8581,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)c1c(N2C(=O)Nc3cc(Cl)c(Cl)cc3N2O)sc2c1CCCCC2,1801434,18,5.6632,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1c2cccc3cccc(c23)C(=O)N1c1ccc2ncccc2c1,2055089,18,4.1886,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)/C(=C/Cl)NC(=O)c2ccccc2)cc1,2134372,18,3.2364,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1cc(NC(=S)NCCSc2ccc(C)cc2)cc(OC)c1,2171186,18,4.0909,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COCCN1C=C(C(=O)OC)C(c2cc(Br)c(OC)c(OC)c2)C(C(=O)OC)=C1,2172338,18,2.6257,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)CC#CCOC(=O)c2ccc([N+](=O)[O-])cc2)cc1,2244013,18,2.5373,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1cccc2c(C=C(C#N)C#N)ccc(N(C)C)c12,2316406,18,3.4024,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(COC(=O)CCSc1ccccc1Cl)Nc1ccc(F)cc1F,2357037,18,4.2823,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(/C=C/C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c(OC)c1,2386270,18,4.3406,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nc(NC(=O)COC(=O)CCS(=O)(=O)c2ccccc2Cl)c(Cl)cc1Cl,2420674,18,3.6959,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=c1c(C(c2ccccc2)c2c(O)sc3ccccc3c2=O)c(O)sc2ccccc12,2830804,18,5.4278,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)CCCNS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1,2837694,18,3.1844,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C(NC(=O)c1ccco1)C(=O)NCC(c1ccco1)N1CCCCC1,2998924,18,2.9704,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+N=P(N1CCOCC1)(N1CCOCC1)C12CC3CC(CC(C3)C1)C2,2999177,18,3.2296,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+c1ccc(Nc2nc3ccccc3[nH]2)nc1,2999234,18,2.7015,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(O)C(=O)C(c2c[nH]c3c(CC=C(C)C)cccc23)=C(O)C1=O,3013166,18,7.0117,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc2nc(C3CCCN(C(=S)Nc4cccc(C)c4C)C3)[nH]c2c1,3223980,18,5.0646,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1cc(-c2cccc(NS(C)(=O)=O)c2)ncn1,3234896,18,1.5811,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1CCCC2=C1C(c1ccc(Br)cc1)c1c([nH]c(=S)[nH]c1=O)N2,3238807,18,3.7595,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccccc1C(=O)NC(CC(C)C)C(=O)OCc1cc(=O)n2cc(Br)ccc2n1,3410901,18,3.6533,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCn1nc([N+](=O)[O-])c(C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(Cl)c1=O,3500086,18,4.1088,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COP(=O)(OC)c1nc(-c2cccc3ccccc23)oc1NCCc1ccccc1,3591227,18,5.2606,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12,3856851,18,7.0339,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccccc1C(=O)NCC(=O)OC(C)C(=O)NC(=O)NC1CCCCC1,3873263,18,1.5152,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCOc1ccc(C(=O)NCC(=O)OC2CCOC2=O)cc1,3916671,18,1.454,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)Cn1c(-c2ccco2)csc1=Nc1cccnc1,3958003,18,4.093,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOC(=O)CC1C(=O)NCCN1C(=O)c1cc2c(=O)n3ccccc3nc2s1,4047539,18,0.803,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+[S-]C(=Nc1ccc(Cl)cc1)N[n+]1ccccc1,4067720,18,2.4056,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(=O)NC1=NN(C(C)=O)C(C)(c2ccc(Cl)s2)S1,4252653,18,2.5766,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCCC(NC(=O)Cc2ccc(Br)cc2)C1C,4602436,18,3.9325,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSCCC(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2,4641038,18,4.4284,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(C2=NN(c3nc(-c4ccccc4)c(CC(=O)O)s3)C(c3ccco3)C2)cc1,4884442,18,5.3945,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(N2CCN(C3=NC(=O)C(Cc4ccccc4)S3)CC2)cc1,5069751,18,3.3577,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)CCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O,5280877,18,3.223,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1,5282219,18,5.7361,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC)[C@@H](O)C[C@H]1O,5283102,18,3.1313,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+S=C([S-])NCCNC(=S)[S-],5284484,18,-0.1733,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCc1ccc(N/N=C(\C(C)=O)C(=O)Nc2ccc(NC(C)=O)cc2OC)cc1,5333873,18,3.9918,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=S)NN/C=C1\C=Nc2ccccc21,5337570,18,1.0812,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)C(Cc1ccccc1)N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S,5344088,18,4.7369,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(N)=Nc1nc(CSCC/C(N)=N\S(N)(=O)=O)cs1,5353622,18,-0.768,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1=c2[nH]c3c(c2CCN1)C=CC(=O)C=3,5353656,18,-0.3351,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(=C\C=C1C=CC(=O)C=C1)NO,5355827,18,1.4905,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(-c4ccc(N/N=C5\C(=O)C=Cc6cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c65)c(C)c4)cc3C)cc2)cc1,5360191,18,0.6903,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(Cc1cc(=O)oc2cc(O)ccc12)NCC1CCC(C(=O)O)CC1,5390001,18,2.0483,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(=N\NC(N)=S)c1ccc(Cl)s1,5390849,18,1.9587,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)OCC(CSC2=C(SCC3COC(C)(C)O3)C(=O)c3ncccc3C2=O)O1,5461523,18,3.4416,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NCC#CCOCc1ccccc1)c1ccccc1,5461831,18,2.6366,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCOc1ccc2c(c1)C=C/C(=C\C=C1/C=C(C)c3ccc[nH+]c3C1=O)N2C,5464763,18,4.4725,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(NN=C2C=CC(=O)C=C2)c1=O,5494763,18,1.3063,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(N/N=C1/C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1,5690151,18,3.8236,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CN(C)c1ccc(C2=N/C(=C3\C=CC=CC3=O)ON2)cc1,5771469,18,1.9407,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(NC1=CC(=O)/C(=C2/Nc3ccccc3S2)C=C1)C1=COCCO1,5800932,18,2.443,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COC1=CC=C/C(=C\NNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1=O,5811720,18,2.597,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)COc1ccccc1/C=C1\SC(=S)N(N/C=C2\C=CC=CC2=O)C1=O,5907935,18,2.4348,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C(=N/NC(N)=S)c1ccccc1[N+](=O)[O-],5918866,18,1.152,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O[N+]1=CC=CCC1=S.On1ccccc1=S,6327770,18,2.1986,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C1/C(=N/Nc2cccc3ccccc23)C=C(S(=O)(=O)O)c2cccnc21,6419843,18,3.1279,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(CCN1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1,6602834,18,4.405,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CSCC[C@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O,6604717,18,1.5049,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+NC(=S)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccccc21,6870780,18,1.9098,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cn1c(=O)n(C)c2cc(/C=N/NC(=S)NCc3ccccc3)ccc21,6875380,18,1.8752,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccco3)co2)n1,7218012,18,3.1511,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)c2cc([N+](=O)[O-])cc(I)c2NCC[C@@H](C(N)=O)NC1=O,9549863,18,1.2704,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCc1ccc(C2=CSC3=[N+](C(C)=O)CCN23)cc1,9551820,18,-0.4712,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+COc1ccc(N2C(=O)CC(S/C(N)=N/N=C/c3ccnc4ccccc34)C2=O)cc1,9590056,18,2.9573,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1CCC/C(=N\NC(=S)Nc2ccccc2)C1,9677906,18,3.5391,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1,9954280,18,6.8458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=P1(O)Oc2c(c(-c3ccccc3)cc3ccc4ccccc4c23)-c2c(-c3ccccc3)cc3ccc4ccccc4c3c2O1,11570706,18,11.172,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C[N+](C)(C)CCC(=O)c1cccc2ccccc12,11957648,18,0.1228,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC(C)C(C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O,12004591,18,2.3764,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCN(CC)CCCNC(=S)N1CCn2c(nc3ccccc32)C1,12004914,18,2.4583,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C=CC#CC[N+]1(CC#Cc2ccccc2)CCOCC1,12273833,18,-0.9215,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1c(Cl)cccc1-c1ccc(CNCCSc2nnnn2-c2ccccc2)o1,16004236,18,4.766,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCN1CCN(c2ncnc3sc(C(=O)Nc4cccc(Cl)c4C)c(C)c23)CC1,16027960,18,4.7458,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nc4c(C)ccc(Cl)c4s3)CC2)c1,16032637,18,4.0141,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(O)c1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4OC(CO)C(O)C(O)C4O)cccc31)c1cccc(O[C@@H]3OC(CO)C(O)C(O)C3O)c1C2=O,16757835,18,-1.0956,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1,16757839,18,4.8381,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+C/C1=C2/N=C(/C=C3\N=C(/C(C)=C4\[N-]C(C)(C5N=C1C(C)(CCC(=O)NCC(C)OP(=O)([O-])O[C@H]1C(O)C(n6cnc7cc(C)c(C)cc76)O[C@@H]1CO)C5CC(N)=O)C(C)(CC(N)=O)C4CCC(N)=O)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C2CCC([NH-])=O.CC1OC(n2cnc3c(N)ncnc32)C(O)C1O.[Co],16758171,18,2.1746,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+[O-][Br+2]([O-])[O-],23668195,18,-6.563,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1cc(C)c(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)c(C)c1,23675739,18,0.6212,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1cc(C(=O)CCCC)c(OC)cc1O2,24867632,18,5.5295,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CCC(C)[C@@H](N)C(=O)N/N=C/c1ccc2ncccc2c1,56642865,18,2.4801,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+Cc1nnc(N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)n1N,56642923,18,4.0539,"Ferriera RS, Simeonov A, Jadhav A, Eidam O, Mott BT, Keiser MJ, McKerrow JH, Maloney DJ, Irwin JJ and Shoichet BK, J Med Chem, 2010, 53, 4891-905."
+CC1(C)C=Cc2c(cc(O)c3c(=O)c4cccc(O)c4oc23)O1,CID5464641,15,3.5416,Shoichet Lab In House Data - Allison Doak
+O=C(O)CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21,nocode,15,4.576,Shoichet Lab In House Data - Allison Doak
+CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F,Vemurafenib,15,5.5442,Shoichet Lab In House Data - Allison Doak
+CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,Crizotinib,15,5.0377,Shoichet Lab In House Data - Allison Doak
+COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,Carvedilol,15,3.738,Shoichet Lab In House Data - Allison Doak
+CCCCCN=C(N)NNC=C1C=Nc2ccc(CO)cc21,Tegaserod,15,1.8348,Shoichet Lab In House Data - Allison Doak
+N=C(N)NN=Cc1c(-c2ccc(Cl)c(Cl)c2Cl)nc2sccn12,NCI698273,17,4.2618,"Mysinger M et al, PNAS, 109, 5517-5522 (2012)"
+N=C(N)NN=C1CC(=NNC(=N)N)c2cc3ccccc3cc21,NCI315155,15,0.6178,Shoichet Lab In House Data - Allison Doak
+CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCc2ccccc21,ZINC03325495,15,3.4204,Shoichet Lab In House Data - Allison Doak
+Cc1cccc2cc(C#N)c(N3CCCN(C(=O)C4CCC4)CC3)nc12,ZINC01238050,15,3.2537,Shoichet Lab In House Data - Allison Doak
+C[C@H]1CCCC[C@H]1NC(=O)COc1ncnc2sc3c(c12)CCC3,ZINC03597488,15,3.2537,Shoichet Lab In House Data - Allison Doak
+CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,Sorafenib,15,5.5497,Shoichet Lab In House Data - Allison Doak
+CC12CCC3c4ccc(O)cc4CC(CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)C3C1CCC2O,Fulvestrant,15,8.6826,Shoichet Lab In House Data - Allison Doak
+Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S(=O)(=O)O)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O,Cibacron_Blue_3GA,12,3.8535,"Giannetti AM, Koch BD, Browner MF, J Med Chem, 51, 574-480 (2008)"
+Nc1ccc(O)c2c1C(=O)c1c(O)cc(Cl)c(N)c1C2=O,Disperse_Blue_56,13,1.691,"Liu HY, Wang Z, Regni C, Zou X, Tipton PA, Biochemistry, 43, 8662-8669 (2004)"
+COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cc2)nc(CNCC(O)CO)nc1OCCOCc1ccccc1,NoName,12,3.4251,"Giannetti AM, Koch BD, Browner MF, J Med Chem, 51, 574-480 (2008)"
+CCCCCCCCC1Sc2ccccc2-c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21,NoName,12,8.2015,"Giannetti AM, Koch BD, Browner MF, J Med Chem, 51, 574-480 (2008)"
+O=C1CCC(c2ccc3[nH]ccc3c2)=NN1,NoName,12,1.782,"Giannetti AM, Koch BD, Browner MF, J Med Chem, 51, 574-480 (2008)"
+CC1(C)CCCC2(C)OC3CCC4(C)C(CCC5(C)C6Cc7c(OS(=O)(=O)[O-])ccc(OS(=O)(=O)[O-])c7C6(C)CCC54)C3(C)CCC12,adociasulfate-2,10,7.1913,"Reddie KG, Roberts DR and Dore TM, J Med Chem, 49, 4857-4860 (2006)"
+O=C1C=CC(=NNc2ccc(Br)cc2)C=C1,4-(4-bromophenylazo)phenol_(4BPAP),8,2.9121,"Coan KE and Shoichet BK, Mol. BioSyst, 3, 208-213, (2007)"
+CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],Trifluralin,5,4.1482,"Coan KED and Shoichet BK, J.Am.Chem.Soc, 130, 9606-9612 (2008)"
+O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2c(I)c(I)c(I)c(I)c21,TIPT2,5,5.9785,"Coan KED and Shoichet BK, J.Am.Chem.Soc, 130, 9606-9612 (2008)"
+CSc1nc2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2[nH]1,Triclabendazole,4,6.0373,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+Cc1c(C)c2c(c(C)c1OC(=O)c1cccnc1)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,Tocopherol_nicotinate,4,9.7489,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+O=C(Nc1ccc2c(=O)cc(-c3nn[nH]n3)oc2c1)c1ccc(OCCCCc2ccccc2)cc1,Pranlukast,4,4.6271,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+Cc1c(O)cccc1C(=O)NC(CSc1ccccc1)C(O)CN1CC2CCCCC2CC1C(=O)NC(C)(C)C,Nelfinavir,4,4.7476,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1,Methylene_blue,4,-0.4971,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O,Menatetrenone,4,8.9179,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O,Itraconazole,4,5.5773,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,Gefitinib,4,4.2756,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,Fenofibrate,4,4.68,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+COC(=O)C(c1ccccc1Cl)N1CCc2sccc2C1,Clopidogrel,4,3.6739,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1,Clofazimine,4,7.4898,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,Chlorpromazine,4,4.8944,"Doak AK, Wille H, Pruisner SB and Shoichet BK, J Med Chem, 53, 4259-4265 (2010)"
+CN(C)c1cccc2c(S(=O)(=O)[O-])cc(N=Nc3cccc(B(O)O)c3)cc12,VB19a,3,1.9051,Shoichet Lab In House Data - Kristin Ziebart
+Nc1cc2oc3cc(=O)c(-c4ccc(O)cc4O)cc-3nc2cc1-c1ccc(O)cc1O,Lacmoid,3,4.0314,Shoichet Lab In House Data - Kristin Ziebart
+Cc1c2ccccc2c(CSC(=N)N)c2ccccc12,NCGC00092324-01,2,4.4281,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+C=CCNC(=O)c1cc([N+](=O)[O-])cc2c(=O)[nH]c(Nc3ccc(Cl)c(Cl)c3)nc12,NCGC00092320-01,2,3.7975,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1CCC(CNCC2CCc3ccccc3C2)CC1,NCGC00092316-01,2,4.0742,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(N=C=S)c2)c1,NCGC00092312-01,2,5.2084,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(O)c1ccc2cc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1,NCGC00092284-01,2,6.3784,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1,NCGC00092280-01,2,5.5181,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1=C(C(=O)NC(C)C)C2(CCC(C)CC2)OC1=O,NCGC00085892-01,2,2.3332,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)CN(CC(C)C)c1nnc(N)s1,NCGC00085890-01,2,2.2387,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)Cc1nnc(NS(=O)(=O)c2ccc(Cl)cc2)s1,NCGC00085887-01,2,3.1908,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN(c1nnc(N)s1)C1CCCCC1,NCGC00085886-01,2,1.8892,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCN(CC(C)OC(=O)c2ccc3c(c2)OCCO3)CC1,NCGC00085885-01,2,2.735,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COC(=O)CSCc1nc2ccccc2nc1O,NCGC00085862-01,2,1.7416,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCCC(C)N1c1nnc(N)s1,NCGC00085860-01,2,1.8876,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)OCCN(C)C)c1ccccc1CC2,NCGC00085859-01,2,4.1899,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COC(=O)c1ccc2c(c1)N(C)CCS2,NCGC00085856-01,2,2.0151,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccccc1CNc1nc(N)n(-c2ccccc2)n1,NCGC00085855-01,2,2.77,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Oc1cc(-c2ccccc2Cl)c2c(n1)CCC2,NCGC00085850-01,2,3.5963,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc2[nH]cc(CCNC(=O)C3CCCNC3=O)c2c1,NCGC00085840-01,2,1.3614,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CC)C(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21,NCGC00085834-01,2,4.1096,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)N1CCN(c2ccc(NCc3ccc(C)s3)cc2)CC1,NCGC00085825-01,2,3.3371,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CCc1ccccc1)N1CCN(CCO)CC1,NCGC00085819-01,2,0.7557,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C(=O)NCC(=O)NC2=NCCS2)cc1,NCGC00085812-01,2,0.644,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1c(=O)c2nc(-c3ccc(Cl)cc3Cl)oc2c2ccccc21,NCGC00085792-01,2,4.6535,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N=c1n(CCO)c2ccccc2n1CCOc1ccc(Cl)cc1Cl,NCGC00085791-01,2,3.3004,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)CCNC(=O)Cn1c(NCCC(C)C)nc2c1c(=O)n(C)c(=O)n2C,NCGC00085789-01,2,1.054,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ncc(CO)c2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)oc12,NCGC00085786-01,2,1.9606,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1,NCGC00085778-01,2,2.9804,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCN1C(=O)C(O)(CC(=O)c2ccco2)c2cc(Br)ccc21,NCGC00085774-01,2,3.6494,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C(=O)Nc2nncs2)c(OC)c1,NCGC00085772-01,2,1.8076,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+OCCN1CCN(c2ncnc3ccc(Br)cc23)CC1,NCGC00085765-01,2,1.5066,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(C2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)cc1OC,NCGC00085740-01,2,3.6588,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1,NCGC00085736-01,2,3.2428,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1c(C(=O)N2CCCC2)oc2c1-c1n[nH]cc1CC2,NCGC00085726-01,2,2.3127,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)CCc1c(C)nc2c(c(C)nn2C(C)(C)C)c1C,NCGC00085717-01,2,3.6073,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Nc1nc(C(=O)N2CCOCC2)nn1C(=O)c1ccc(Cl)cc1,NCGC00085716-01,2,0.6746,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1CCn2nc(-c3ccc(Cl)cc3)cc2N1,NCGC00085715-01,2,2.5457,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)CCc1c(C)n(CC)c2ncnn2c1=O,NCGC00085713-01,2,0.715,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN(C)c1cc(NC(=O)CN2CCOCC2)c2ccccc2n1,NCGC00085710-01,2,1.5715,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cc2c(cc1OC)-c1nnc(-c3cccs3)n1C(C)(C)C2,NCGC00085704-01,2,3.982,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN1CCN(c2cc3c(c4c2[nH]c2ccccc24)C(=O)CC(C)(C)C3)CC1,NCGC00085700-01,2,4.228,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)n1cc(-c2ccncc2)c2ccccc21,NCGC00085688-01,2,3.3634,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCc1cc(=O)oc2cc(C)cc(O)c12,NCGC00085685-01,2,2.3694,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1N1CCN(Cc2cc(Br)c(O)c3ncccc23)CC1,NCGC00085683-01,2,4.0337,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#Cc1c(C(F)(F)F)cc(C2CC2)nc1O,NCGC00085680-01,2,2.5551,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCN(C(=O)c1ccc(Cl)cc1)C1CC2CCC(C1)N2C,NCGC00085670-01,2,4.2075,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NC1CCCCC1)N1CCC(n2c(O)nc3ccccc32)CC1,NCGC00085669-01,2,3.4211,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+OC(CN1C2=NCCCN2c2ccccc21)c1ccc(Cl)cc1,NCGC00085668-01,2,3.4597,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1sc2nc3ccc(N4CCCC4)nn3c(=O)c2c1C,NCGC00085667-01,2,2.5212,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc2c(c1)c(-c1ccccc1)nc1nncn12,NCGC00085662-01,2,3.2529,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCn1c2c(c3ccccc31)CCc1nonc1-2,NCGC00085655-01,2,3.59,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)(C)OC(=O)N1CCC(C(N)=O)CC1,NCGC00085654-01,2,1.1188,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCN(S(=O)(=O)N2CCC(C(=O)N3CCC(N(C)CC4CCCO4)CC3)CC2)CC1,NCGC00085653-01,2,1.7769,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1c(Cl)cccc1NC(=O)CN1C(=O)CSc2ncccc21,NCGC00085651-01,2,3.1208,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)c1c(-c2ccccc2)c(C(C)=O)c(=O)n(C)c1C,NCGC00085647-01,2,2.74,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC(Sc1nccn1C)C(=O)Nc1nnc(C)s1,NCGC00085645-01,2,2.0894,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)CCc1c(C)nc2cc(-c3ccccc3OC)nn2c1O,NCGC00085644-01,2,2.9146,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)CN1C(=O)C(=O)c2cccc(C)c21,NCGC00085632-01,2,1.0874,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1CCN(c2nnc(N3CCC(C)CC3)c3ccccc23)CC1,NCGC00085621-01,2,4.1024,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCn1ccnc1C(O)c1cccc(OC)c1OC,NCGC00085613-01,2,2.0019,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCc2ccccc21,NCGC00085606-01,2,2.2667,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cccc(C)c1OCC(O)Cn1ccnc1C,NCGC00085591-01,2,2.2483,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(C)nc(SCC(=O)c2ccc(O)cc2O)n1,NCGC00085589-01,2,2.4796,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)Nc1cc2ccc(OC(C)=O)cc2oc1=O,NCGC00085585-01,2,1.6767,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+NC(=O)c1cc(Cl)cn(-c2ccccc2)c1=O,NCGC00085581-01,2,1.5898,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1C(=O)CC(c2ccccc2)N(C)C1c1ccccc1,NCGC00085579-01,2,4.0097,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN1CCc2c(sc3c2C(=O)NC(c2cccc(OC(=O)c4cccs4)c2)N3)C1,NCGC00085577-01,2,3.8708,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)CC1,NCGC00085569-01,2,4.0155,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)N(Cc1nc2ccccc2[nH]1)C(C)C,NCGC00085555-01,2,3.1817,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCc1ccc(-n2c(O)cnc2Nc2nc(C)cc(C)n2)cc1,NCGC00085549-01,2,3.2907,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1CCC(=O)N1c1cccc(-c2nc3ccccc3o2)c1,NCGC00085547-01,2,3.1482,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCNc1cc(=O)n(C)c(=O)[nH]1,NCGC00085545-01,2,0.2856,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cc2c(=O)n(CC3CCCO3)c(=O)n(CC(=O)Nc3ccc(F)cc3F)c2cc1OC,NCGC00085483-01,2,2.2763,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(NCCCN1CCCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1,NCGC00085449-01,2,2.6385,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)c(C)c2)NC(=O)NC1c1ccc(O)c(O)c1,NCGC00085401-01,2,2.1903,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(=O)N1CSCC1C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,NCGC00085219-01,2,-0.1168,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(c1ccc(N2CCCCS2(=O)=O)cc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,NCGC00085215-01,2,1.2056,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1c(=O)oc2ccccc21)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,NCGC00085209-01,2,0.5699,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cn1cc(Cl)c(C(=O)N(Cc2ccccc2)c2ccccn2)n1,NCGC00085179-01,2,3.3155,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCn1ncc(C2=NOC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1C,NCGC00085170-01,2,2.1409,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCC(C)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2,NCGC00085153-01,2,3.2828,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(OCCSc2[nH]cnc3ncnc2-3)cc1,NCGC00085151-01,2,2.4842,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COCc1cc(C)nc(N2CCOCC2)c1C#N,NCGC00085149-01,2,1.2447,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CC)S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)CCC2=O)cc1,NCGC00085145-01,2,1.0229,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCCNC(=O)Cn1c(=O)n(C)c2ccccc21,NCGC00085127-01,2,1.2563,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCc1nccn1S(=O)(=O)c1ccc(OC)c(OC)c1,NCGC00085125-01,2,1.6997,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN(C)c1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccccc1,NCGC00085113-01,2,3.8938,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1)Nc1nncs1,NCGC00085095-01,2,2.4936,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1,NCGC00085039-01,2,3.8286,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCO/C(O)=C1\C(C)=Nc2nnnn2C1c1ccc(OC)c(Br)c1,NCGC00085029-01,2,2.9457,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nc3ccccc3o2)CC1,NCGC00084990-01,2,4.4572,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1cnc2ccccc2c1)c1cccnc1,NCGC00084989-01,2,2.8821,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(-c2noc(CN3C(C)CCCC3C)n2)cc1,NCGC00084967-01,2,3.8079,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1nc(N(C)C)c2sc(=S)n(C)c2n1,NCGC00084952-01,2,2.1337,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+C=C1c2cc(CC)ccc2NC(=O)N1c1ccc(C)cc1,NCGC00084933-01,2,4.5802,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1oc2ccccc2n1Cc1ccccc1Cl,NCGC00084931-01,2,3.2962,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+NC(=O)COc1ccc(=O)n(-c2ccccc2)n1,NCGC00084929-01,2,0.0966,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+C=C1Cn2c(nnc2-c2ccc(Cl)cc2)S1,NCGC00084920-01,2,3.2179,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CC)CCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(OC)cc1OC,NCGC00084901-01,2,2.7201,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(-c2ccccc2)n2ncc(C#N)c2n1,NCGC00084899-01,2,2.5764,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)CN1c2ccccc2NC(=O)CC1C,NCGC00084896-01,2,1.7868,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN1C(=O)CC(N2CCC(c3nc4ccccc4[nH]3)CC2)C1=O,NCGC00084894-01,2,1.4996,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)CSc1nn(C)c(=S)s1,NCGC00084893-01,2,1.8663,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)C1C(=O)Oc2ccc3ccccc3c2C1C1CCOC1=O,NCGC00084891-01,2,2.5848,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+NC(=O)c1cccc(S(=O)(=O)N2CC(c3ccccc3)CC2=O)c1,NCGC00084890-01,2,1.4903,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)Cc1csc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1,NCGC00084879-01,2,1.3926,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCn1c(O)cc(=O)nc1SCC(=O)N1CCOCC1,NCGC00084871-01,2,-0.0803,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CN(CC(CC(=O)Nc1nncs1)c1ccccc1)S(=O)(=O)c1ccccc1,NCGC00084870-01,2,2.9712,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccccc1-n1c(O)cc(=O)nc1SC,NCGC00084869-01,2,1.6686,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)c1c(CN(CC)CC)oc2cc(Br)c(O)cc12,NCGC00084868-01,2,3.9194,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+C=CCn1c(SCCCC)nc(O)cc1=O,NCGC00084867-01,2,2.0271,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CO/C(O)=C1\Sc2cc(C)ccc2N=C1C,NCGC00084863-01,2,3.5666,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1cc(C)n2nc(SCC(=O)Nc3ccc(F)cc3)nc2n1,NCGC00084860-01,2,2.611,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCN(C)C)c2c1,NCGC00084857-01,2,2.5617,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCn1c(OC)nc2c1c(=O)n(C)c(=O)n2C,NCGC00084840-01,2,-0.1477,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCN(CC)S(=O)(=O)c1ccc(-c2nnc3sc4cccc(C)c4n23)cc1,NCGC00084603-01,2,3.9499,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Nc1ccc(O)cc1)C1CC=CCC1,NCGC00079710-01,2,2.687,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#CC1=C(N)SC(N)=C(C#N)C1c1cccc(Oc2ccccc2)c1,NCGC00078321-01,2,3.6971,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cc1ccc2c(c1)OCCO2)c1c(O)cc(O)cc1O,NCGC00077130-01,2,2.0,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(/C=C/N1CCOCC1)c1ccc(-c2ccccc2)cc1,NCGC00077092-01,2,3.3822,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+S=C(Nc1ccccc1)Nc1ccccc1C#Cc1ccccc1,NCGC00074324-01,2,4.8953,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Oc1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1,NCGC00072170-01,2,3.0891,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1Nc2ccccc2SC(c2ccccc2)C1O,NCGC00071097-01,2,2.833,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC[n+]1cc(-c2ccccc2)nc(N2CCOCC2)n1,NCGC00064961-01,2,1.2876,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)CC(C(=O)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N)N1C(=O)c2ccccc2C1=O,NCGC00064775-01,2,5.3207,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOc1c(C(N)=O)c(-c2ccccc2)c2c(O)nc3ccccc3n12,NCGC00064231-01,2,3.3577,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Nc1n[nH]c(SCC(=O)c2ccc(Oc3ccccc3)cc2)n1,NCGC00058828-01,2,3.1542,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCOC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccc(C(=O)OC)cc12,NCGC00052143-01,2,2.5351,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(Nc2nnc(Cc3ccccc3Cl)c(O)n2)cc1,NCGC00044365-01,2,3.5736,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Cn1cnnn1)OCC(=O)c1ccc(Cl)s1,NCGC00042334-01,2,0.8141,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#CCSc1nc2scc(-c3cccs3)c2c(=O)n1CCc1ccccc1,NCGC00042267-01,2,5.0449,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COC(=O)c1ccc(CSc2nc(O)c3c(-c4cccs4)csc3n2)o1,NCGC00041802-01,2,4.7973,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+C=CCn1c(COc2ccc(CC)cc2)nnc1SC/C(O)=C(/C#N)c1nc2ccccc2[nH]1,NCGC00039489-01,2,5.0668,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1nnc(-c2ccccc2)o1,NCGC00037317-01,2,4.3244,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N#Cc1c(N)oc(-c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2,NCGC00035579-01,2,3.5249,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cccc(-c2cnc(NCc3cc(Cl)ccc3O)n2C)c1,NCGC00034471-01,2,4.0668,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1,NCGC00033075-01,2,2.4999,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Nc1nc2c(s1)CC(c1ccccc1)CC2,NCGC00032659-01,2,2.9978,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nnc(-c2ccccc2)s1,NCGC00030032-01,2,3.1049,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)OCc1ccccc1,NCGC00027433-01,2,3.4807,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)COC(=O)c1nnsc1NC(=O)Nc1ccccc1,NCGC00027305-01,2,2.9949,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(Oc1cccc(-n2cnnn2)c1)c1sc2ccccc2c1Cl,NCGC00026686-01,2,3.7496,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Cc1ccc(S(=O)(=O)CCC(=O)c2ccc(O)cc2O)cc1,NCGC00026228-01,2,2.4529,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+NNNNN,NCGC00025374-01,2,-2.6674,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+Oc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1,NCGC00025216-01,2,4.9855,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1,NCGC00025159-01,2,5.2756,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N=C(N)SCCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1,NCGC00025073-01,2,3.343,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1,NCGC00024916-01,2,5.5998,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(CCCN1CCC2(CC1)C(=O)N(Cc1cccc(F)c1)CN2c1ccccc1)c1ccc(F)cc1,NCGC00024738-01,2,5.2688,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O,NCGC00017347-01,2,1.3296,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC1=NCCc2c1[nH]c1cc(O)ccc21,NCGC00017249-01,2,2.2386,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1,NCGC00016246-01,2,4.1753,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,NCGC00016055-02,2,1.2576,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+NC(=O)CI,NCGC00015548-01,2,-0.0933,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=c1cc(O)cc(/C=C\c2ccc(O)c(O)c2)o1,NCGC00015509-01,2,1.927,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+NC(Cc1cc(O)c(O)cc1O)C(=O)O,NCGC00015503-01,2,-0.2422,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC,NCGC00015482-01,2,5.4525,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(O)CCc1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12,NCGC00014216-01,2,2.0318,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C1c2ccc(O)cc2Oc2cc(O)ccc21,NCGC00014212-01,2,7.1319,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2c1c(-c1ccccc1)c(-c1ccccc1)c(-c1ccccc1)c2-c1ccccc1,NCGC00014211-01,2,10.3338,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C,NCGC00013772-01,2,7.2416,"Babaoglu et al, J Med Chem, 51, 2502-2011 (2008)"
+CC(C)Nc1ccnc(N2CCN(C(=O)C3Cc4cc(NS(C)(=O)=O)ccc4N3)CC2)c1,Delavirdine,1,1.9588,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"
+Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,Clotrimazole,1,5.3767,"Seidler J, McGovern SL, Doman TN, Shoichet BK, J Med Chem, 46, 4477-86 (2003)"