0 B8R1.2 C=C[N+]1=CC=CC=C1 180799 [1,0,0,0,0,0|2,0,1]=4 1 B8R1.3 CC1=CC=[N+](C)C=C1 180824 [1,0,0,0,0,0|2,0,0]=3 2 B8R1.3 CC1=CN=C(O)C=N1 077046 [1,0,0,0,0,0|2,0,0]=3 3 B8R1.3 CC1=NC=C(O)C=N1 077095 [1,0,0,0,0,0|2,0,0]=3 4 B8R1.3 [2H]C1=CC=C(Br)C=C1 043269 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.1 CC1=CN=C(CCO)C=C1 032578 [0,1,0,0,0,0|2,0,0]=3 6 B10R1.13 CC(C)C1=CC=[N+]([O-])C=C1 032678 [0,1,0,0,0,0|2,0,1]=4 7 B10R1.25 C#CC1=CC=C(Cl)C=C1F 046009 [0,1,0,0,0,0|2,0,1]=4 8 B10R1.25 C#CC1=CC=C(N)C=C1F 045991 [0,1,0,0,0,0|2,0,1]=4 9 B10R1.25 COC1=C(Br)C=C(S)C=C1 038040 [0,1,0,0,0,0|2,1,0]=4 10 B10R1.25 COC1=C(Cl)C=C(S)C=C1 038033 [0,1,0,0,0,0|2,1,0]=4 11 B10R1.25 COC1=C(S)C=C(Br)C=C1 038041 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.25 COC1=CC=C(F)C=C1I 075745 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.25 COC1=CC=C(S)C=C1C 038027 [0,1,0,0,0,0|2,1,0]=4 14 B10R1.25 COC1=CC=C(S)C=C1F 023073 [0,1,0,0,0,0|2,1,0]=4 15 B10R1.25 CSC1=C(Cl)C=C(Cl)C=C1 019344 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.25 FC1=CC(F)=C(CS)C=C1 024358 [0,1,0,0,0,0|1,1,0]=3 17 B10R1.176 C(=O)C1=CC(Cl)=C(C)C=C1 208274 [0,1,0,0,0,0|1,0,2]=4 18 B10R1.176 COC1=CC(Br)=C(S)C=C1 038759 [0,1,0,0,0,0|2,1,0]=4 19 B10R1.176 COC1=CC=C(Cl)C(S)=C1 037969 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.176 [C-]#[N+]C1=CC(Cl)=C(F)C=C1 021227 [0,1,0,0,0,0|3,0,0]=4 21 B7R1.3 N[N+]1=CC=CC=C1 184347 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.2 CCC1=CC(C)=CN=C1 180046 [1,1,0,0,0,0|2,0,0]=4 23 B9R1.2 C[N+]1=CC(CO)=CC=C1 181608 [1,1,0,0,0,0|1,0,0]=3 24 B9R1.6 CC(C)[N+]1=CC=CC=C1 184885 [1,1,0,0,0,0|2,0,0]=4 25 B9R1.8 CCC[N+]1=CC=CC=C1 243010 [1,1,0,0,0,0|2,0,0]=4 26 B9R1.8 CCOC1=CC=CN=C1 180053 [1,1,0,0,0,0|2,0,0]=4 27 B9R1.8 N#CC[N+]1=CC=CC=C1 181003 [1,1,0,0,0,0|2,0,0]=4 28 B9R1.15 C#CC1=CC=CC=C1O 222906 [1,1,0,0,0,0|1,0,1]=4 29 B9R1.15 CCC1=C(F)C=CC=C1 037698 [1,1,0,0,0,0|1,0,0]=3 30 B9R1.15 NCC1=CC=CC=C1Cl 209763 [1,1,0,0,0,0|1,0,0]=3 31 B9R1.69 CC1=C(S)C=CC(Br)=C1 037981 [1,1,0,0,0,0|1,1,0]=4 32 B9R1.69 CC1=C(S)C=CC(F)=C1 023130 [1,1,0,0,0,0|1,1,0]=4 33 B9R1.69 CC1=CC(C)=[N+]([O-])C=C1 032556 [1,1,0,0,0,0|1,0,1]=4 34 B9R1.69 CC1=CC(Cl)=C(S)C=C1 070834 [1,1,0,0,0,0|0,1,0]=3 35 B9R1.69 CC1=CC(S)=C(Br)C=C1 037984 [1,1,0,0,0,0|1,0,0]=3 36 B9R1.69 CC1=CC(S)=C(F)C=C1 037942 [1,1,0,0,0,0|1,0,0]=3 37 B9R1.69 CC1=CC=C(C)C(N)=N1 032657 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.69 CC1=CC=C(S)C=C1F 023072 [1,1,0,0,0,0|0,1,0]=3 39 B9R1.69 CC1=CC=[N+](C)C=C1C 032583 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.69 CC1=[N+](C)C=C(O)C=C1 181609 [1,1,0,0,0,0|1,0,0]=3 41 B9R1.69 ClC1=C(Br)C=C(Br)C=C1 037509 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.69 FC1=C(S)C=C(Br)C=C1 037911 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.69 FC1=C(S)C=C(Cl)C=C1 037933 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.69 FC1=C(S)C=CC(Cl)=C1 037930 [1,1,0,0,0,0|1,1,0]=4 45 B9R1.69 OC1=CC=C(I)C(F)=C1 226296 [1,1,0,0,0,0|1,0,0]=3 46 B9R1.69 SC1=C(Br)C=C(Br)C=C1 037937 [1,1,0,0,0,0|1,1,0]=4 47 B9R1.69 SC1=C(Br)C=C(Cl)C=C1 061712 [1,1,0,0,0,0|1,1,0]=4 48 B9R1.69 SC1=C(Br)C=CC(Cl)=C1 062559 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.69 SC1=C(Cl)C=C(Br)C=C1 037897 [1,1,0,0,0,0|1,1,0]=4 50 B9R1.69 SC1=C(Cl)C=CC(Br)=C1 037979 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.69 SC1=CC(Br)=CC=C1Br 038020 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.69 SC1=CC(Cl)=C(Br)C=C1 037898 [1,1,0,0,0,0|1,1,0]=4 53 B9R1.69 SC1=CC=C(Cl)C(Br)=C1 061642 [1,1,0,0,0,0|1,1,0]=4 54 B11R1.1 CCCCC1=CC=C(S)C=C1 023116 [0,2,0,0,0,0|1,1,0]=4 55 B11R1.1 CCCSC1=CC=C(Cl)C=C1 094923 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.1 CC\N=C\C1=CC=C(C)C=C1 180176 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.1 COCOC1=CC=C(Br)C=C1 235426 [0,2,0,0,0,0|1,0,0]=3 58 B11R1.1 OCCCC1=CC=C(O)C=C1 209107 [0,2,0,0,0,0|0,0,0]=2 59 B11R1.20 C=C(C)CC1=CC=C(Cl)C=C1 200111 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.20 CC(C)OC1=CC=C(F)C=C1 098420 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.20 O=C(Cl)CC1=CC=C(I)C=C1 402653 [0,2,0,0,0,0|1,0,1]=4 62 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 180337 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.81 CCNC1=CC=C(Cl)C=C1N 017139 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.81 CCOC1=C(F)C=C(Br)C=C1 070618 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.81 CCOC1=C(F)C=C(I)C=C1 038780 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.81 CCOC1=C(F)C=C(N)C=C1 038781 [0,2,0,0,0,0|2,0,0]=4 67 B11R1.83 C=CCC1=CC=C(CC)C=C1 022320 [0,2,0,0,0,0|2,0,0]=4 68 B11R1.83 COC1=CC=C(OC#N)C=C1 009599 [0,2,0,0,0,0|1,0,1]=4 69 B11R1.83 COCC1=CC=C(C#N)C=C1 075988 [0,2,0,0,0,0|1,0,0]=3 70 B11R1.192 CCOC1=CC(F)=C(Br)C=C1 098318 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.192 CCOC1=CC=C(Br)C(Cl)=C1 211586 [0,2,0,0,0,0|2,0,0]=4 72 B11R1.192 CCSC1=CC(Cl)=C(Cl)C=C1 094568 [0,2,0,0,0,0|2,0,0]=4 73 B11R1.192 NCCC1=CC(F)=C(Cl)C=C1 070560 [0,2,0,0,0,0|2,0,0]=4 74 B11R1.3 COC1=CC=C(B(O)O)C=N1 219839 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.3 N=C(N)C1=CC=C(CN)C=C1 011383 [0,2,0,0,0,0|2,0,0]=4 76 B11R1.19 CC(F)(F)C1=CC=C(Cl)C=C1 101883 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.19 CC(F)(F)C1=CC=C(I)C=C1 492178 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.19 [2H]C([2H])([2H])C1=CC=C(Br)C=C1 043261 [0,2,0,0,0,0|2,0,0]=4 79 B11R1.21 CC(C)C1=CC(Br)=C(Cl)C=C1 037568 [0,2,0,0,0,0|2,0,0]=4 80 B11R1.21 CC(C)C1=CC(Br)=C(I)C=C1 035646 [0,2,0,0,0,0|2,0,0]=4 81 B11R1.21 CC1=C(F)C=CC(C(F)F)=C1 440267 [0,2,0,0,0,0|2,0,0]=4 82 B11R1.21 C[C@@H](N)C1=CC=C(F)C(F)=C1 210212 [0,2,0,0,0,0|2,0,0]=4 83 B11R1.21 FC(F)C1=CC(I)=C(Br)C=C1 050227 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.21 NC1=C(F)C=CC(C(F)F)=C1 098651 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.166 C[S+](C)C1=C(O)C=C(O)C=C1 021801 [0,2,0,0,0,0|2,0,0]=4 86 B11R1.166 C[S+](C)C1=C(O)C=C(O)C=C1 021821 [0,2,0,0,0,0|2,0,0]=4 87 B11R1.464 OCC1=C(F)C=C(I)C=C1F 104261 [0,2,0,0,0,0|1,0,0]=3 88 B7R1.2 CC1=CC=C([Mg+])S1 399696 [1,0,0,0,1,0|2,0,0]=4