0 B29R5.261117 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=CC=CC=C5)S3 MCULE-5184941895 [0,0,0,0,0,0|1,0,0]=1 1 B29R5.261117 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=CC=CN=C5)S3 MCULE-2663902461 [0,0,0,0,0,0|2,0,0]=2 2 B29R5.261117 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=NC=CC=C5)S3 MCULE-5443145312 [0,0,0,0,0,0|0,0,0]=0 3 B29R5.261117 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=NC=CN=C5)S3 MCULE-8003450346 [0,0,0,0,0,0|1,0,0]=1 4 B29R5.261117 CC1=NC2=CC=CC=C2C(=C1)C3=NN4C(=NN=C4C5=CC=CC=C5)S3 MCULE-1936192825 [0,0,0,0,0,0|1,0,0]=1 5 B28R5.8853298 C1=CC(=CN=C1)C2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=CC=C4 MCULE-1348784372 [1,0,0,0,0,0|3,0,0]=4 6 B28R5.8853298 C1=CC2=CC=CC(=C2C=C1)C3=NN4C(=NN=C4C5=CC=NC=C5)S3 MCULE-3429606011 [1,0,0,0,0,0|3,0,0]=4 7 B28R5.8853298 C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=CC5=CC=CC=C45 MCULE-9463126743 [1,0,0,0,0,0|2,0,0]=3 8 B28R5.8853298 C1=CN=C(C=C1)C2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=CC=C4 MCULE-9590770193 [1,0,0,0,0,0|1,0,0]=2 9 B30R5.4728843 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=CC=C(C=C5)Br)S3 MCULE-4211014704 [0,1,0,0,0,0|1,0,0]=2 10 B30R5.4973838 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=CC(=CC=C5)Br)S3 MCULE-5476978990 [0,1,0,0,0,0|1,0,0]=2 11 B30R5.4973838 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=CC(=CC=C5)Cl)S3 MCULE-1754212137 [0,1,0,0,0,0|1,0,0]=2 12 B30R5.4973838 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=CC(=CC=C5)F)S3 MCULE-8446611683 [0,1,0,0,0,0|1,0,0]=2 13 B30R5.6942795 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=C(C=CC=C5)Br)S3 MCULE-4901476303 [0,1,0,0,0,0|1,0,0]=2 14 B30R5.254696554 CC1=CC(=C2C=C(C=CC2=N1)Br)C3=NN4C(=NN=C4C5=CC=CC=C5)S3 MCULE-6177859374 [0,1,0,0,0,0|1,0,0]=2 15 B30R5.254696554 CC1=CC(=C2C=C(C=CC2=N1)Cl)C3=NN4C(=NN=C4C5=CC=CC=C5)S3 MCULE-4044147375 [0,1,0,0,0,0|1,0,0]=2 16 B28R5.4991659 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=CC=CO5)S3 MCULE-3964745346 [0,0,0,0,1,0|1,0,0]=2 17 B30R5.10601439 O=C1C=C(C2=CC=CC=C2O1)C3=NN4C(=NN=C4S3)CC5=CC=CC=C5 MCULE-6059481591 [0,0,0,0,0,1|3,0,0]=4 18 B29R5.54606543 CC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=CC5=CC=CC=C45 MCULE-5770334150 [1,1,0,0,0,0|2,0,0]=4 19 B29R5.56651480 CC1=CC(=CC=C1)C2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=CC=C4 MCULE-5889909877 [1,1,0,0,0,0|2,0,0]=4 20 B29R5.56651480 ClC1=CC=CC(=C1)C2=NN=C3N2N=C(S3)C4=CC=CC5=CC=CC=C45 MCULE-7503707322 [1,1,0,0,0,0|2,0,0]=4 21 B29R5.56651480 FC1=CC=CC(=C1)C2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=CC=C4 MCULE-8318382095 [1,1,0,0,0,0|2,0,0]=4 22 B29R5.73163348 BrC1=C(C=CC=C1)C2=NN=C3N2N=C(S3)C4=CC=CC5=CC=CC=C45 MCULE-3342353427 [1,1,0,0,0,0|2,0,0]=4 23 B29R5.8046806 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=C(OC=C5)C)S3 MCULE-8989738958 [0,1,0,0,1,0|1,0,0]=3 24 B31R5.349994 COC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=NC(=C4)C MCULE-6769589506 [0,2,0,0,0,0|1,0,0]=3 25 B31R5.2753441 COC1=CC=CC(=C1)C2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=NC(=C4)C MCULE-9814796572 [0,2,0,0,0,0|1,0,0]=3 26 B31R5.13767296 COC1=C(C=CC=C1)C2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=NC(=C4)C MCULE-4097417740 [0,2,0,0,0,0|1,0,0]=3 27 B27R4.3809676 CC1=NC2=C(C=CC=C2)C(=C1)SC3=NN=C(N3C)C4=CC=CC=C4 MCULE-4995954097 [0,0,1,0,1,0|2,0,0]=4 28 B27R5.1659817 C1=CC2=C(C=C1)C(=CN2)C3=NN4C(=NN=C4C5=NC=CN=C5)S3 MCULE-9875044179 [1,0,0,0,1,0|1,0,1]=4 29 B27R5.1659817 C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CNC5=C4C=CC=C5 MCULE-1953866926 [1,0,0,0,1,0|1,0,1]=4 30 B27R5.1659817 C1=CC=C(N=C1)C2=NN=C3N2N=C(S3)C4=CNC5=C4C=CC=C5 MCULE-8458575840 [1,0,0,0,1,0|0,0,1]=3 31 B27R5.8454633 C1=COC(=C1)C2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=CC=C4 MCULE-4945099581 [1,0,0,0,1,0|2,0,0]=4 32 B27R5.8454633 C1=CSC(=C1)C2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=CC=C4 MCULE-9525504394 [1,0,0,0,1,0|2,0,0]=4 33 B29R5.2893064 C1=CN=C(C=C1)C2=NN=C3N2N=C(S3)CC4=C5C=CC=CC5=CC=C4 MCULE-6878865400 [1,0,0,0,0,1|1,0,0]=3 34 B29R5.30855146 C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC5=C(C=CC=C5)OC=C4 MCULE-2704909221 [1,0,0,0,0,1|2,0,0]=4 35 B29R5.648980335 C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=CC=C4 MCULE-8874695932 [1,0,0,0,0,1|2,0,0]=4 36 B31R5.7547359 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4S3)CCC5=CC=CC=C5 MCULE-4127341722 [0,0,0,0,0,2|1,0,0]=3