0 B8R1.3 BrC1=CN=C(I)C=N1 038569 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.3 CC1=CC=[N+](C)C=C1 180824 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.3 CC1=CN=C(O)C=N1 077046 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.3 CC1=NC=C(O)C=N1 077095 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.3 SC1=CC=C(S)N=N1 180154 [0,0,0,0,0,0|2,2,0]=4 5 B8R1.3 [2H]C1=CC=C(Br)C=C1 043269 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.3 BrC1=NC=NC=C1 080310 [1,0,0,0,0,0|3,0,0]=4 7 B7R1.3 N[N+]1=CC=CC=C1 184347 [1,0,0,0,0,0|2,0,0]=3 8 B7R1.3 N[N+]1=NC=CC=C1 102270 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.69 CC1=C(S)C=CC(Br)=C1 037981 [0,1,0,0,0,0|1,1,0]=3 10 B9R1.69 CC1=C(S)C=CC(F)=C1 023130 [0,1,0,0,0,0|1,1,0]=3 11 B9R1.69 CC1=CC(C)=[N+]([O-])C=C1 032556 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.69 CC1=CC(Cl)=C(S)C=C1 070834 [0,1,0,0,0,0|1,1,0]=3 13 B9R1.69 CC1=CC(S)=C(Br)C=C1 037984 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.69 CC1=CC(S)=C(F)C=C1 037942 [0,1,0,0,0,0|2,0,0]=3 15 B9R1.69 CC1=CC=C(C)C(N)=N1 032657 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.69 CC1=CC=C(S)C=C1F 023072 [0,1,0,0,0,0|1,1,0]=3 17 B9R1.69 CC1=CC=[N+](C)C=C1C 032583 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.69 CC1=[N+](C)C=C(O)C=C1 181609 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.69 ClC1=C(Br)C=C(Br)C=C1 037509 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.69 FC1=C(Br)C=C(Br)N=C1 069670 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.69 FC1=C(S)C=C(Br)C=C1 037911 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.69 FC1=C(S)C=C(Cl)C=C1 037933 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.69 FC1=C(S)C=CC(Cl)=C1 037930 [0,1,0,0,0,0|1,1,0]=3 24 B9R1.69 FC1=CN=C(F)C=C1Br 069648 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.69 NC1=NC=C(Br)C=C1F 077452 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.69 OC1=CC=C(I)C(F)=C1 226296 [0,1,0,0,0,0|1,0,0]=2 27 B9R1.69 SC1=C(Br)C=C(Br)C=C1 037937 [0,1,0,0,0,0|1,1,0]=3 28 B9R1.69 SC1=C(Br)C=C(Cl)C=C1 061712 [0,1,0,0,0,0|1,1,0]=3 29 B9R1.69 SC1=C(Br)C=CC(Cl)=C1 062559 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.69 SC1=C(Cl)C=C(Br)C=C1 037897 [0,1,0,0,0,0|1,1,0]=3 31 B9R1.69 SC1=C(Cl)C=CC(Br)=C1 037979 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.69 SC1=CC(Br)=CC=C1Br 038020 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.69 SC1=CC(Cl)=C(Br)C=C1 037898 [0,1,0,0,0,0|1,1,0]=3 34 B9R1.69 SC1=CC=C(Cl)C(Br)=C1 061642 [0,1,0,0,0,0|1,1,0]=3 35 B7R1.2 CC1=CC=C([Mg+])S1 399696 [0,0,0,0,1,0|3,0,0]=4 36 B6R1.1 C1=CC=[NH+]C=C1 180458 [2,0,0,0,0,0|1,0,0]=3 37 B8R1.2 C=C[N+]1=CC=CC=C1 180799 [1,1,0,0,0,0|2,0,0]=4 38 B8R1.4 C[N+]1=CC(I)=CC=C1 189774 [1,1,0,0,0,0|2,0,0]=4 39 B8R1.4 C[N+]1=CC=CC(N)=C1 181312 [1,1,0,0,0,0|2,0,0]=4 40 B8R1.4 [2H]C1=CC(Br)=CC=C1 043268 [1,1,0,0,0,0|1,0,0]=3 41 B8R1.4 [O-][N+]1=CC(I)=CC=C1 188698 [1,1,0,0,0,0|1,0,1]=4 42 B8R1.5 OC1=C(Cl)C=NN=C1 324534 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.1 CC1=CN=C(CCO)C=C1 032578 [0,2,0,0,0,0|2,0,0]=4 44 B10R1.25 C#CC1=CC=C(Cl)C=C1F 046009 [0,2,0,0,0,0|2,0,0]=4 45 B10R1.25 C#CC1=CC=C(N)C=C1F 045991 [0,2,0,0,0,0|2,0,0]=4 46 B10R1.25 COC1=C(Br)C=C(S)C=C1 038040 [0,2,0,0,0,0|0,1,0]=3 47 B10R1.25 COC1=C(Cl)C=C(S)C=C1 038033 [0,2,0,0,0,0|0,1,0]=3 48 B10R1.25 COC1=C(S)C=C(Br)C=C1 038041 [0,2,0,0,0,0|1,0,0]=3 49 B10R1.25 COC1=CC=C(F)C=C1I 075745 [0,2,0,0,0,0|1,0,0]=3 50 B10R1.25 COC1=CC=C(S)C=C1C 038027 [0,2,0,0,0,0|0,1,0]=3 51 B10R1.25 COC1=CC=C(S)C=C1F 023073 [0,2,0,0,0,0|0,1,0]=3 52 B10R1.25 CSC1=C(Cl)C=C(Cl)C=C1 019344 [0,2,0,0,0,0|1,1,0]=4 53 B10R1.25 FC1=CC(F)=C(CS)C=C1 024358 [0,2,0,0,0,0|1,1,0]=4 54 B10R1.176 C(=O)C1=CC(Cl)=C(C)C=C1 208274 [0,2,0,0,0,0|1,0,1]=4 55 B10R1.176 COC1=CC(Br)=C(S)C=C1 038759 [0,2,0,0,0,0|0,1,0]=3 56 B10R1.176 COC1=CC=C(Cl)C(S)=C1 037969 [0,2,0,0,0,0|1,0,0]=3 57 B10R1.176 [C-]#[N+]C1=CC(Cl)=C(F)C=C1 021227 [0,2,0,0,0,0|2,0,0]=4 58 B10R1.22 CC1=C(Br)C(F)=CC(Cl)=C1 044241 [0,2,0,0,0,0|2,0,0]=4 59 B10R1.22 CC1=C(Br)C=C(Br)C=C1F 035084 [0,2,0,0,0,0|2,0,0]=4 60 B10R1.22 CC1=C(Br)C=C(Cl)C=C1F 075724 [0,2,0,0,0,0|2,0,0]=4 61 B10R1.22 CC1=C(Cl)C(N)=CC(Br)=C1 061635 [0,2,0,0,0,0|2,0,0]=4 62 B10R1.22 CC1=C(F)C(Br)=CC(Br)=C1 035072 [0,2,0,0,0,0|2,0,0]=4 63 B10R1.22 CC1=C(F)C=C(I)C=C1F 043180 [0,2,0,0,0,0|2,0,0]=4 64 B10R1.22 CC1=C(I)C(Br)=CC(Br)=C1 035169 [0,2,0,0,0,0|2,0,0]=4 65 B10R1.22 CC1=C(I)C(Cl)=CC(F)=C1 044243 [0,2,0,0,0,0|2,0,0]=4 66 B10R1.22 CC1=CC(Br)=C(F)C(F)=C1 038603 [0,2,0,0,0,0|2,0,0]=4 67 B10R1.22 CC1=CC(Br)=C(I)C(Cl)=C1 094998 [0,2,0,0,0,0|2,0,0]=4 68 B10R1.22 CC1=CC(Br)=CC(Cl)=C1F 037511 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.22 CC1=CC(Br)=CC(Cl)=C1I 035711 [0,2,0,0,0,0|2,0,0]=4 70 B10R1.22 CC1=CC(Cl)=CC(Br)=C1Br 035179 [0,2,0,0,0,0|2,0,0]=4 71 B10R1.22 CC1=CC(F)=C(Cl)C(Br)=C1 035068 [0,2,0,0,0,0|2,0,0]=4 72 B10R1.22 CC1=CC(F)=C(I)C(Br)=C1 035067 [0,2,0,0,0,0|2,0,0]=4 73 B10R1.22 CC1=CC(I)=CC(F)=C1Br 069628 [0,2,0,0,0,0|2,0,0]=4 74 B10R1.22 CC1=CC(N)=CC(Br)=C1Cl 061638 [0,2,0,0,0,0|2,0,0]=4 75 B10R1.22 ClC1=CC(Br)=CC(Br)=C1Cl 037474 [0,2,0,0,0,0|2,0,0]=4 76 B10R1.22 FC1=C(Br)C=C(Cl)C=C1Cl 037631 [0,2,0,0,0,0|2,0,0]=4 77 B10R1.22 FC1=C(Cl)C=C(S)C=C1Cl 037464 [0,2,0,0,0,0|1,1,0]=4 78 B10R1.22 FC1=C(S)C=C(Cl)C=C1Br 098338 [0,2,0,0,0,0|2,0,0]=4 79 B10R1.22 FC1=CC(Br)=C(I)C(Cl)=C1 035616 [0,2,0,0,0,0|2,0,0]=4 80 B10R1.22 FC1=CC(Br)=CC(F)=C1S 037906 [0,2,0,0,0,0|1,1,0]=4 81 B10R1.22 FC1=CC(Cl)=CC(F)=C1I 043167 [0,2,0,0,0,0|2,0,0]=4 82 B10R1.22 FC1=CC(F)=C(Cl)C(Cl)=C1 044215 [0,2,0,0,0,0|2,0,0]=4 83 B10R1.22 FC1=CC(F)=C(I)C(Cl)=C1 044213 [0,2,0,0,0,0|2,0,0]=4 84 B10R1.22 FC1=CC(I)=CC(Br)=C1F 070571 [0,2,0,0,0,0|2,0,0]=4 85 B10R1.22 FC1=CC(S)=C(F)C(Br)=C1 070707 [0,2,0,0,0,0|2,0,0]=4 86 B10R1.22 NC1=C(Cl)C(Br)=CC(Cl)=C1 062567 [0,2,0,0,0,0|2,0,0]=4 87 B10R1.22 NC1=C(F)C=C(Br)C=C1I 103373 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.22 SC1=CC(Cl)=C(Br)C(Cl)=C1 037504 [0,2,0,0,0,0|1,1,0]=4 89 B10R1.30 C#CC1=CC(F)=CC=C1F 046033 [0,2,0,0,0,0|2,0,0]=4 90 B10R1.30 CC1=C(C#N)C=C(S)C=C1 098553 [0,2,0,0,0,0|1,1,0]=4 91 B10R1.30 CC1=C(CO)C=C(Br)C=C1 403122 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.30 CCC1=C(F)C=CC(F)=C1 105468 [0,2,0,0,0,0|2,0,0]=4 93 B10R1.30 COC1=CC(C)=CC=C1I 038666 [0,2,0,0,0,0|2,0,0]=4 94 B10R1.30 FC1=CC(CS)=C(F)C=C1 024359 [0,2,0,0,0,0|2,0,0]=4 95 B10R1.30 N#CC1=CC(F)=CC=C1I 240068 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.30 OCC1=CC(Br)=CC=C1Br 229556 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.118 CC1=C(Br)C=C(Cl)C(F)=C1 044257 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.118 CC1=C(Br)C=C(N)C(Br)=C1 061636 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.118 CC1=C(C)C=C(O)C(N)=C1 025073 [0,2,0,0,0,0|1,0,0]=3 100 B10R1.118 CC1=CC(Cl)=C(Br)C=C1C 043083 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.118 CC1=CC(Cl)=C(Br)C=C1N 062523 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.118 CC1=CC(Cl)=C(I)C=C1C 043082 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.118 CC1=CC(F)=C(Br)C=C1S 044249 [0,2,0,0,0,0|1,1,0]=4 104 B10R1.118 CC1=CC(F)=C(S)C=C1Br 097786 [0,2,0,0,0,0|1,1,0]=4 105 B10R1.118 CC1=CC(N)=C(Br)C=C1Br 038636 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.118 FC1=C(Cl)C=C(Br)C(Cl)=C1 037637 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.118 FC1=C(Cl)C=C(Br)C(S)=C1 038025 [0,2,0,0,0,0|1,1,0]=4 108 B10R1.118 FC1=C(Cl)C=C(Cl)C(S)=C1 070779 [0,2,0,0,0,0|1,1,0]=4 109 B10R1.118 FC1=CC(Br)=C(I)C=C1Cl 061610 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.118 FC1=CC(Br)=C(I)C=C1F 070666 [0,2,0,0,0,0|2,0,0]=4 111 B10R1.118 FC1=CC(Cl)=C(F)C=C1Cl 062597 [0,2,0,0,0,0|2,0,0]=4 112 B10R1.118 FC1=CC(F)=C(S)C=C1Cl 038019 [0,2,0,0,0,0|1,1,0]=4 113 B10R1.118 FC1=CC(F)=C(S)C=C1F 037955 [0,2,0,0,0,0|1,1,0]=4 114 B10R1.118 FC1=CC(I)=C(Br)C=C1Cl 038030 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.118 FC1=CC(S)=C(Cl)C=C1F 038017 [0,2,0,0,0,0|1,1,0]=4 116 B10R1.118 FC1=CC(S)=C(F)C=C1Br 037905 [0,2,0,0,0,0|1,1,0]=4 117 B10R1.118 FC1=CC(S)=C(F)C=C1Cl 038018 [0,2,0,0,0,0|1,1,0]=4 118 B10R1.118 NC1=C(Cl)C=C(Br)C(Br)=C1 061650 [0,2,0,0,0,0|2,0,0]=4 119 B10R1.118 NC1=CC(Br)=C(Cl)C=C1Cl 211728 [0,2,0,0,0,0|2,0,0]=4 120 B10R1.119 CC1=C(Br)C(C)=C(Cl)C=C1 043085 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.119 CC1=C(Br)C(F)=CC=C1F 043166 [0,2,0,0,0,0|2,0,0]=4 122 B10R1.119 CC1=C(Br)C=CC(N)=C1Br 038631 [0,2,0,0,0,0|2,0,0]=4 123 B10R1.119 CC1=C(Br)C=CC(N)=C1Cl 099929 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.119 CC1=C(Cl)C=CC(Br)=C1C 037665 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.119 CC1=C(F)C(Br)=CC=C1Br 035076 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.119 CC1=C(F)C(Br)=CC=C1Cl 035077 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.119 CC1=C(F)C(Br)=CC=C1S 037990 [0,2,0,0,0,0|1,1,0]=4 128 B10R1.119 CC1=C(N)C(Br)=CC=C1Cl 101851 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.119 CC1=CC=C(Br)C(C)=C1Br 037661 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.119 CC1=CC=C(N)C(C)=C1Br 227786 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.119 FC1=C(Br)C=CC(Cl)=C1Cl 043259 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.119 FC1=C(Br)C=CC(I)=C1F 035731 [0,2,0,0,0,0|2,0,0]=4 133 B10R1.119 FC1=C(Cl)C=CC(Br)=C1F 035733 [0,2,0,0,0,0|2,0,0]=4 134 B10R1.119 FC1=C(F)C(Br)=CC=C1S 070724 [0,2,0,0,0,0|1,1,0]=4 135 B10R1.119 FC1=C(F)C(Cl)=C(Br)C=C1 037523 [0,2,0,0,0,0|2,0,0]=4 136 B10R1.119 FC1=C(F)C(F)=C(S)C=C1 037954 [0,2,0,0,0,0|1,1,0]=4 137 B10R1.119 FC1=C(I)C=CC(Br)=C1Br 070607 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.119 FC1=C(I)C=CC(Cl)=C1Cl 095069 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.119 FC1=CC=C(Br)C(Cl)=C1Cl 037502 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.119 FC1=CC=C(Br)C(I)=C1F 043124 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.119 FC1=CC=C(Cl)C(Br)=C1F 043118 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.119 FC1=CC=C(F)C(I)=C1I 043164 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.119 FC1=CC=C(I)C(Cl)=C1F 043131 [0,2,0,0,0,0|2,0,0]=4 144 B10R1.119 FC1=CC=C(I)C(F)=C1Br 043144 [0,2,0,0,0,0|2,0,0]=4 145 B10R1.119 FC1=CC=C(S)C(F)=C1Br 070684 [0,2,0,0,0,0|1,1,0]=4 146 B10R1.119 FC1=CC=C(S)C(F)=C1Cl 043095 [0,2,0,0,0,0|1,1,0]=4 147 B10R1.119 NC1=C(Cl)C(F)=C(Br)C=C1 044835 [0,2,0,0,0,0|2,0,0]=4