0 B11R1.21 CC1=C(C)C=C(C(N)=S)C=C1 097861 [0,0,0,0,0,0|3,1,0]=4 1 B11R1.21 CC1=C(I)C=CC(C(=O)Cl)=C1 103960 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.21 NC(=O)C1=CC=C(Cl)C(I)=C1 050135 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.21 O=C(Cl)C1=CC(I)=C(Cl)C=C1 103976 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.21 O=C(Cl)C1=CC=C(Cl)C(Br)=C1 038136 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.113 CC(=O)C1=CC=C[N+](C)=C1 181309 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.113 C[N+]1=CC(C(=O)O)=NC=C1 188697 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.113 O=C(Cl)C1=CC=CC(Br)=N1 402790 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.113 O=C(O)C1=CN=CC(Br)=N1 094451 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.176 C(=O)C1=CC(Cl)=C(C)C=C1 208274 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.56 COC1=C(C)C=CC(C(=O)Cl)=C1 020643 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 210016 [0,1,0,0,0,0|2,0,0]=3 12 B12R1.232 CC1=C(C(=O)O)C=C(Br)C(F)=C1 097663 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.232 CC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 037615 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.232 CC1=CC(C(=O)O)=C(Cl)C=C1Br 070827 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.232 CC1=CC(Cl)=C(C(=O)O)C=C1C 044221 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.232 CC1=CC(Cl)=C(C)C=C1C(=O)O 037482 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.232 O=C(O)C1=C(Br)C=C(Cl)C(I)=C1 038739 [0,1,0,0,0,0|2,0,0]=3 18 B12R1.232 O=C(O)C1=C(F)C=C(Br)C(Cl)=C1 069702 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.367 CC1=C(F)C=CC(C(=O)CBr)=C1 064662 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.367 CNC(=O)C1=CC(F)=C(F)C=C1 102183 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.367 COC(=O)C1=CC=C(F)C(C)=C1 078733 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.893 CC(=O)C1=C(O)C(F)=C(F)C=C1 046461 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1F 037605 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.893 O=C(O)C1=CC=C(F)C(Br)=C1F 070698 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(F)=C1 037525 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.1005 O=C(O)C1=CC(F)=C(Cl)C(F)=C1 037597 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.1005 O=C(O)C1=CC(I)=C(F)C(I)=C1 050128 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.19 NC(=O)CC1=CC(F)=C(F)C=C1 102662 [0,0,0,0,0,1|3,0,0]=4 29 B9R1.69 OC1=CC=C(I)C(F)=C1 226296 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 180337 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 062790 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.166 CC1=CC(Br)=C(C(=O)Cl)C=C1 062786 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.166 NC(=O)C1=C(N)C=C(Cl)C=C1 039336 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.166 NC(=O)C1=CC=C(Br)C=C1Br 467171 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1Cl 011135 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.166 O=C(Cl)C1=C(Br)C=C(Br)C=C1 062655 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.166 O=C(Cl)C1=C(Cl)C=C(Br)C=C1 038129 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.166 O=C(Cl)C1=C(F)C=C(I)C=C1 103809 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.166 O=C(Cl)C1=CC=C(F)C=C1Br 038137 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 209062 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.74 O=C(Cl)C1=CC(Br)=CC(Br)=C1 038166 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.74 O=C(Cl)C1=CC(Br)=CC(Cl)=C1 038165 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.159 CC1=C(C(=O)Cl)C=CC=C1Cl 062740 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.159 CC1=CC=CC(C(=O)Cl)=C1Br 062785 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.159 NC(=O)C1=C(N)C(Cl)=CC=C1 094026 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.159 O=C(Cl)C1=C(Br)C(F)=CC=C1 062706 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.159 O=C(Cl)C1=C(Cl)C(F)=CC=C1 038156 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.167 CC1=CC(C(=O)Cl)=C(Br)C=C1 062787 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.167 CC1=CC(C(N)=O)=C(Cl)C=C1 094064 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.167 CC1=CC=C(Cl)C(C(=O)Cl)=C1 062748 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.167 NC(=O)C1=C(Cl)C=CC(I)=C1 104006 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.167 NC(=O)C1=C(I)C=CC(Cl)=C1 104007 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.167 O=C(Cl)C1=C(Cl)C=CC(I)=C1 038159 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.167 O=C(Cl)C1=C(I)C=CC(Br)=C1 246343 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.167 O=C(Cl)C1=C(I)C=CC(Cl)=C1 103977 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.167 O=C(Cl)C1=CC(Br)=CC=C1F 038143 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.266 COC1=CC(S(=O)[O-])=CC=C1 045961 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.266 CO[N+]1=CC(C(=O)O)=CC=C1 181676 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.266 CO[N+]1=CC(C(N)=O)=CC=C1 181646 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.14 O=CC1=CC(Cl)=C(Cl)C(F)=C1 037526 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.277 CC1=C(C=O)C=C(F)C(Br)=C1 069438 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.277 CC1=C(Cl)C=C(Cl)C(C=O)=C1 037616 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.277 CC1=CC(Cl)=C(C)C=C1C=O 037483 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.277 O=CC1=C(Cl)C=C(Br)C(Cl)=C1 069421 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.277 O=CC1=C(Cl)C=C(Cl)C(Cl)=C1 097793 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.278 O=CC1=C(F)C(F)=C(Cl)C=C1 037606 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.510 CC1=CC=C(C(N)C(=O)O)C=C1F 005807 [0,1,0,0,0,1|2,0,0]=4 68 B13R1.144 O=C(O)C1=CC(Cl)=C(N=C=S)C=C1 034781 [0,2,0,0,0,0|1,1,0]=4 69 B13R1.144 O=C(O)C1=CC(F)=C(N=C=S)C=C1 034811 [0,2,0,0,0,0|1,1,0]=4 70 B13R1.3096 COC1=C(C)C(C)=C(C(=O)O)C=C1 045101 [0,2,0,0,0,0|1,0,0]=3 71 B13R1.3380 COC1=C(F)C=C(C(N)=O)C=C1F 342374 [0,2,0,0,0,0|2,0,0]=4 72 B13R1.13 O=C(O)C1=CC=C(Br)C(C(=O)O)=N1 181501 [0,2,0,0,0,0|2,0,0]=4 73 B13R1.651 COC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 069722 [0,2,0,0,0,0|1,0,0]=3 74 B13R1.1807 COC(=O)C1=C(C)C=C(Br)C(F)=C1 075251 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.2398 COC1=CC(Cl)=C(Cl)C=C1C(=O)O 069728 [0,2,0,0,0,0|2,0,0]=4 76 B13R1.466 CCOC(=O)C1=CC(C)=C(C)C=C1 106144 [0,2,0,0,0,0|2,0,0]=4 77 B13R1.466 CCOC(=O)C1=CC(C)=C(O)C=C1 438106 [0,2,0,0,0,0|1,0,0]=3 78 B13R1.466 CCOC(=O)C1=CC(Cl)=C(I)C=C1 034836 [0,2,0,0,0,0|2,0,0]=4 79 B13R1.466 CCOC(=O)C1=CC=C(Br)C(F)=C1 335532 [0,2,0,0,0,0|2,0,0]=4 80 B13R1.466 CCOC(=O)C1=CC=C(Cl)C(F)=C1 234554 [0,2,0,0,0,0|2,0,0]=4 81 B13R1.2678 COC(=O)C1=CC(Br)=C(Br)C(C)=C1 037764 [0,2,0,0,0,0|2,0,0]=4 82 B13R1.2678 COC(=O)C1=CC(Br)=C(Br)C(F)=C1 037767 [0,2,0,0,0,0|2,0,0]=4 83 B13R1.2678 COC(=O)C1=CC(Br)=C(I)C(C)=C1 037765 [0,2,0,0,0,0|2,0,0]=4 84 B13R1.2678 COC(=O)C1=CC(Br)=C(I)C(Cl)=C1 037776 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.20 O=C(Cl)CC1=CC=C(I)C=C1 402653 [1,0,0,0,0,1|2,0,0]=4 86 B11R1.157 NC(=O)CC1=CC(F)=CC=C1 102220 [1,0,0,0,0,1|2,0,0]=4 87 B11R1.157 O=C(O)C[N+]1=CC(Cl)=CC=C1 182512 [1,0,0,0,0,1|2,0,0]=4 88 B13R1.511 CC1=C(Cl)C=CC(OCC(=O)O)=C1 059904 [0,0,0,0,0,2|2,0,0]=4 89 B13R1.511 O=C(O)COC1=CC(Cl)=C(Cl)C=C1 103030 [0,0,0,0,0,2|2,0,0]=4