0 B10R1.3 CCC1=NC=C(C=O)C=C1 53643 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.3 CNC1=CC=C(NC)C=C1 AT11002 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.3 COC1=CN=C(CN)N=C1 P14665 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.3 COC1=NN=C(CN)C=C1 C15178 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.3 [C-]#[N+]C1=CN=C(OC)C=C1 AC9404 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.1 CC1=CN=C(CBr)C=C1 AC9707 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.1 CCC1=NC=C(O)C=C1 D76529 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.1 COC1=NC=C(C)N=C1 AT23462 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 N14204 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.3 COC1=CN=C([C@H](C)O)N=C1 AT23879 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.3 C[C@H](O)C1=CC=C(C=O)C=C1 D74867 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.83 C#CCC1=CC=C(OC)C=C1 D75643 [0,1,0,0,0,0|1,0,1]=3 12 B11R1.83 CNCC1=CC=C(SC)C=C1 D76957 [0,1,0,0,0,0|1,1,0]=3 13 B11R1.83 COC1=NC=C(CCCl)C=C1 AC9638 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.83 NCCC1=CC=C(CO)C=C1 20461 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.83 O=CC1=CC=C(CCBr)C=C1 AC8890 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.279 COC1=C(F)C=C(C#N)C=N1 AT26920 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.279 COC1=C(F)C=C(CN)C=N1 AT26682 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.279 COC1=CC(Cl)=C(CN)C=C1 43820 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.279 COC1=CC(F)=C(C=O)C=N1 97686 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.279 COC1=NC(C)=C(CN)C=C1 D96461 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.279 CSC1=CC(F)=C(C#N)C=C1 AT24049 [0,1,0,0,0,0|2,1,0]=4 22 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [2,0,0,0,0,0|1,0,0]=3 23 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C91123 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C92102 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96383 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [1,1,0,0,0,0|1,1,0]=4 27 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [1,1,0,0,0,0|1,1,0]=4 28 B10R1.13 OC1=CC=C(C(F)F)C=C1 78024 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.25 COC1=C(Br)C=C(F)N=C1 H10310 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.25 COC1=C(Br)C=C(N)N=C1 P18768 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.25 COC1=C(I)C=C(C)C=N1 D74393 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.25 COC1=C(N)N=C(Cl)C=C1 AT10100 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.25 COC1=NC=C(C)C=C1O D74379 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.25 CSC1=C(Br)C=C(N)C=C1 D87910 [1,1,0,0,0,0|1,1,0]=4 35 B10R1.25 N#CC1=C(I)C=C(O)C=C1 D76837 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.176 CC1=C(Br)C=C(CN)C=C1 AC7764 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.176 COC1=CC(Br)=C(N)C=N1 AT16300 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.176 COC1=CC(I)=C(F)C=C1 79389 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.176 COC1=CC(I)=C(N)C=N1 C10061 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.176 COC1=CN=C(C)C(N)=C1 AT11250 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.176 COC1=NC(C)=C(F)C=C1 C74931 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.176 CSC1=CC(Br)=C(O)C=C1 C14584 [1,1,0,0,0,0|0,1,0]=3 43 B10R1.176 CSC1=CC(N)=C(N)C=C1 AT20962 [1,1,0,0,0,0|1,1,0]=4 44 B10R1.176 OCC1=CC(Cl)=C(O)C=C1 D88156 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.258 COC1=NSC(OC)=C1I AT21072 [0,1,0,0,1,0|2,0,0]=4 46 B12R1.6 [2H]C([2H])(O)C1=CC=C(OC)C=C1 D98788 [0,2,0,0,0,0|2,0,0]=4 47 B12R1.48 COC1=C(Br)C=C(B(O)O)C=C1 D71888 [0,2,0,0,0,0|2,0,0]=4 48 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 Y11595 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.452 COC1=CC(Br)=C([C@H](C)N)C=C1 C92025 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.452 COC1=CC(Br)=C([C@H](C)N)C=C1 C92056 [0,2,0,0,0,0|1,0,0]=3 51 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 E72732 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.4 C#CC1=CC=C(OC(F)F)C=C1 D76714 [0,2,0,0,0,0|1,0,1]=4 53 B12R1.4 CC(=O)NC1=CC=C(O[13CH3])C=C1 41458 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.71 C#CCCC1=CC=C(OC)C=C1 D75652 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.288 C\C=C\C1=CC(O)=C(OC)C=C1 A11367 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.78 COC1=CC(CBr)=C(CBr)C=C1 D87804 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.301 COC1=C(Cl)C=C(CN)C=C1Cl 43821 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.301 COC1=CC(I)=C(C=O)C(I)=C1 AT18558 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.450 COC1=C(F)C=C(C#N)C(N)=C1 AT24118 [0,2,0,0,0,0|2,0,0]=4 60 B12R2.9 CNC1=CC=C(C2CC2)C=C1 AC8470 [0,1,0,1,0,0|2,0,0]=4 61 B12R2.44 CSC1=CC2=C(C=C1)CNC2 84321 [0,1,0,1,0,0|1,1,0]=4 62 B8R1.1 COC1=CC(Br)=CS1 P19567 [1,0,0,0,1,0|2,0,0]=4 63 B8R1.1 COC1=NOC(O)=C1 AT19567 [1,0,0,0,1,0|2,0,0]=4 64 B10R1.172 C#CC1=CC(OC)=CN=C1 AT22617 [0,0,0,0,1,1|1,0,1]=4 65 B10R1.172 CNC1=NC=CC(OC)=N1 D74377 [0,0,0,0,1,1|2,0,0]=4 66 B10R1.172 COC1=NC=CC(CBr)=C1 C71690 [0,0,0,0,1,1|2,0,0]=4 67 B10R1.172 [C-]#[N+]C1=CC=CC(OC)=C1 AC9601 [0,0,0,0,1,1|1,0,1]=4