0 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 BB17-2319 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.280 COC1=C(F)C=CC(C=O)=C1 BB01-4798 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.280 COC1=CC(C=O)=C(O)C=C1 BB17-2245 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.280 COC1=CC(CN)=CC=C1O BB57-0245 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.30 CC1=CC(C=O)=C(O)C=C1 BB17-2229 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.30 COC1=C(N)C=CC(Br)=C1 BB17-0541 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.30 N#CC1=CC(N)=CC=C1O BB57-7141 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.30 O=CC1=C(O)C=CC(Cl)=C1 BB17-1583 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.172 CNC1=CC(OC)=CC=C1 BB01-3262 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.172 COC1=CC=CC(C=O)=N1 BB01-8348 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.172 COC1=CC=CC(CN)=C1 BB01-6176 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.172 N#CC1=CC=CC(C=O)=C1 BB57-2100 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.176 CC1=C(C)C=C(CN)C=C1 BB55-3607 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.176 CC1=CC=C(NN)C=C1C BB01-5039 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.176 CCC1=CC(Cl)=C(O)C=C1 BB58-5313 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.176 CNC1=CC(C)=C(Br)C=C1 BB01-3263 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 BB01-6038 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 BB17-1104 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 BB17-1495 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.176 O=CC1=CC(F)=C(F)C=C1 BB01-6074 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.176 O=CC1=CC(F)=C(O)C=C1 BB01-7858 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.176 O=CC1=CC=C(Cl)C(F)=C1 BB01-6104 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.56 COC1=C(Cl)C=CC([N+](=O)[O-])=C1 BB17-0546 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.78 COC1=C(CCl)C=C(C=O)C=C1 BB55-0046 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 BB17-1793 [0,1,0,0,0,0|1,0,1]=3 25 B12R1.78 COC1=C(OC)C=C(CN)C=C1 BB17-1113 [0,1,0,0,0,0|1,0,1]=3 26 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 BB01-6047 [0,1,0,0,0,0|1,0,2]=4 27 B12R1.78 COC1=CC=C(C=O)C=C1CO BB57-7157 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.286 CCCC1=CC=C(O)C(OC)=C1 BB58-5122 [0,1,0,0,0,0|0,0,2]=3 29 B12R1.286 COC1=C(O)C=CC(SC#N)=C1 BB57-6637 [0,1,0,0,0,0|1,0,1]=3 30 B12R1.300 COC1=C(O)C(Br)=CC(C=O)=C1 BB05-0507 [0,1,0,0,0,0|1,0,0]=2 31 B12R1.300 COC1=C(O)C(Cl)=CC(C=O)=C1 BB05-0506 [0,1,0,0,0,0|1,0,0]=2 32 B12R1.300 COC1=C(O)C(I)=CC(C=O)=C1 BB05-0509 [0,1,0,0,0,0|1,0,0]=2 33 B12R1.300 COC1=CC(C=O)=CC(I)=C1O BB01-7987 [0,1,0,0,0,0|1,0,0]=2 34 B12R1.300 COC1=CC(Cl)=C(N)C(OC)=C1 BB01-6326 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.453 O=CC1=CC(C(=O)O)=C(O)C=C1 BB57-2282 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.453 O=CC1=CC=C(O)C([N+](=O)[O-])=C1 BB17-2228 [0,1,0,0,0,0|3,0,0]=4 37 B12R2.44 COC1=CC2=C(C=C1)OCO2 BB57-6156 [0,0,0,1,0,0|1,0,1]=3 38 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 BB01-6157 [0,0,0,1,0,0|1,0,1]=3 39 B12R2.44 NCC1=CC2=C(C=C1)OCO2 BB01-5536 [0,0,0,1,0,0|1,0,1]=3 40 B12R2.44 O=CC1=CC=C2OCCC2=C1 BB01-8349 [0,0,0,1,0,0|2,0,0]=3 41 B9R1.2 CC1=CC=CC(C=O)=N1 BB17-1884 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.2 CC1=CC=CC(CN)=C1 BB57-0207 [2,0,0,0,0,0|1,0,1]=4 43 B9R1.2 CC1=CC=CC(NN)=C1 BB01-7859 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.2 CCC1=CC(O)=CC=C1 BB58-0142 [2,0,0,0,0,0|0,0,2]=4 45 B9R1.2 CNC1=CC(Br)=CC=C1 BB01-3264 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.2 CNC1=CC(Cl)=CC=C1 BB01-5244 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.2 COC1=CC(S)=CC=C1 BB01-6053 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.2 CSC1=CC=CC(N)=C1 BB17-2811 [2,0,0,0,0,0|1,1,0]=4 49 B9R1.2 O=CC1=CC(Cl)=CC=C1 BB01-6045 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.2 O=CC1=CC(F)=CC=C1 BB01-6048 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.2 O=CC1=CC(I)=CC=C1 BB17-1813 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.15 CCC1=CC=CC=C1S BB01-6055 [2,0,0,0,0,0|1,1,0]=4 53 B9R1.15 COC1=CC=CC=C1S BB01-7834 [2,0,0,0,0,0|0,1,0]=3 54 B9R1.15 COC1=NC=CC=C1N BB01-7941 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.69 CC1=C(Cl)C=CC(N)=C1 BB17-1101 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.69 CC1=C(F)C=CC(N)=C1 BB01-7839 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.69 CC1=C(N)C=CC(Br)=C1 BB17-2504 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.69 CC1=C(N)C=CC(I)=C1 BB17-0312 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.69 CC1=C(O)C=C(O)C=C1 BB57-4886 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.69 CC1=CC(N)=C(O)C=C1 BB17-0775 [2,0,0,0,0,0|1,0,1]=4 61 B9R1.69 NC1=C(O)C=CC(Cl)=C1 BB17-0695 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.69 NC1=C(O)C=CC(F)=C1 BB58-0778 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.69 OC1=CC=C(Cl)C=C1Br BB01-6261 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.1 C=CC1=CC=C(Br)C=C1 BB01-8155 [2,0,0,0,0,0|1,0,0]=3 65 B9R1.1 C=CC1=CC=C(F)C=C1 BB01-8160 [2,0,0,0,0,0|1,0,0]=3 66 B9R1.1 O=CC1=CC=C(I)C=C1 BB17-1814 [2,0,0,0,0,0|2,0,0]=4 67 B11R1.37 CNC1=C(OC)C=C(Cl)C=C1 BB01-3265 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.37 COC1=CC(O)=CC=C1C=O BB57-0236 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.37 COC1=CC=C(S)C=C1OC BB01-6054 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 BB01-2226 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.167 CC(=O)C1=CC(O)=CC=C1O BB01-2831 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.189 CCOC1=CC(C=O)=CC=C1 BB55-0788 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.189 CCOC1=CC=CC(CN)=C1 BB57-0157 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.189 CNCC1=CC=CC(OC)=C1 BB55-7030 [1,1,0,0,0,0|0,0,2]=4 75 B11R1.189 COC1=CC(N=C=O)=CC=C1 BB01-7818 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.189 COC1=CC(N=C=S)=CC=C1 BB17-0181 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.189 COC1=CC(N=S=O)=CC=C1 BB58-0241 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.266 COC1=CC=CC(B(O)O)=C1 BB01-0922 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.266 COC1=CC=CC(C(C)N)=C1 BB01-4887 [1,1,0,0,0,0|0,0,2]=4 80 B11R1.14 CC1=CC(C#N)=CC(C)=C1O BB55-8733 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.14 CSC1=CC(C)=C(O)C(C)=C1 BB57-7027 [1,1,0,0,0,0|1,0,1]=4 82 B11R1.21 CC(=O)C1=CC=C(O)C(Cl)=C1 BB01-2046 [1,1,0,0,0,0|1,0,1]=4 83 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 BB17-0869 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.21 CC1=C(C)C=C(C(=O)Cl)C=C1 BB20-1582 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 BB57-1377 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 BB05-0519 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.279 COC1=C(O)C=C(C=O)C=C1 BB17-2318 [1,1,0,0,0,0|1,0,0]=3 88 B11R1.279 COC1=CC=C(C=O)C=C1Br BB01-6256 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.279 COC1=CC=C(C=O)C=C1Cl BB17-1569 [1,1,0,0,0,0|2,0,0]=4 90 B13R1.49 CCC(O)C1=CC=C(O)C(OC)=C1 BB57-6748 [0,2,0,0,0,0|0,0,2]=4 91 B13R1.49 COC1=C(O)C=CC(C(O)C#N)=C1 BB57-4888 [0,2,0,0,0,0|0,0,2]=4 92 B13R1.49 COC1=CC(C(=O)NN)=CC=C1O BB55-0724 [0,2,0,0,0,0|1,0,0]=3 93 B13R1.3091 COC1=C(OC)C=C(B(O)O)C=C1 BB01-0931 [0,2,0,0,0,0|2,0,0]=4 94 B13R1.3091 COC1=C(OC)C=C(C(C)N)C=C1 BB01-4893 [0,2,0,0,0,0|0,0,2]=4 95 B13R1.355 CCOC1=C(OC)C=CC(C=O)=C1 BB05-0527 [0,2,0,0,0,0|1,0,0]=3 96 B13R1.355 CCOC1=CC(C=O)=CC=C1OC BB55-0932 [0,2,0,0,0,0|1,0,0]=3 97 B13R1.355 COCC1=C(OC)C=CC(C=O)=C1 BB55-0077 [0,2,0,0,0,0|1,0,0]=3 98 B13R1.355 COCC1=CC(C=O)=CC=C1OC BB05-0154 [0,2,0,0,0,0|1,0,0]=3 99 B13R1.386 CCNC1=CC(OC)=C(OC)C=C1 BB01-3260 [0,2,0,0,0,0|0,0,2]=4 100 B13R1.386 CNCC1=CC(OC)=C(OC)C=C1 BB58-0565 [0,2,0,0,0,0|0,0,2]=4 101 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 BB01-2487 [0,2,0,0,0,0|0,0,2]=4 102 B13R1.386 COC1=C(OC)C=C(N=C=S)C=C1 BB01-6624 [0,2,0,0,0,0|1,0,1]=4 103 B13R1.386 COC1=C(OC)C=C(\C=N\O)C=C1 BB57-4571 [0,2,0,0,0,0|1,0,0]=3 104 B13R1.386 COC1=CC=C(N=C=O)C=C1OC BB01-4415 [0,2,0,0,0,0|1,0,1]=4 105 B13R1.434 COC1=C(OC)C(Br)=CC(C=O)=C1 BB05-0570 [0,2,0,0,0,0|1,0,0]=3 106 B13R1.434 COC1=C(OC)C(I)=CC(C=O)=C1 BB05-0679 [0,2,0,0,0,0|1,0,0]=3 107 B13R1.434 COC1=CC(C=O)=CC(Cl)=C1OC BB05-0555 [0,2,0,0,0,0|1,0,0]=3 108 B13R1.434 COC1=CC(C=O)=CC(Cl)=C1OC BB17-1197 [0,2,0,0,0,0|1,0,0]=3 109 B13R1.434 COC1=CC(C=O)=CC(I)=C1OC BB17-1198 [0,2,0,0,0,0|1,0,0]=3 110 B13R1.1249 CCOC1=C(OC)C=C(C=O)C=C1 BB01-4067 [0,2,0,0,0,0|1,0,0]=3 111 B13R1.1249 CCOC1=CC=C(C=O)C=C1OC BB05-2784 [0,2,0,0,0,0|1,0,0]=3 112 B13R1.2200 COC1=C(OC)C=C(C=O)C(Br)=C1 BB05-0617 [0,2,0,0,0,0|1,0,0]=3 113 B13R1.2200 COC1=CC(Br)=C(C=O)C=C1OC BB55-0962 [0,2,0,0,0,0|1,0,0]=3 114 B13R1.2422 COC1=C(OC)C(Cl)=C(C=O)C=C1 BB57-0192 [0,2,0,0,0,0|1,0,0]=3 115 B13R1.2431 COC(=O)C1=C(O)C=CC(OC)=C1 BB58-3155 [0,2,0,0,0,0|1,0,1]=4 116 B13R1.3981 CCOC1=C(O)C(Br)=CC(C#N)=C1 BB05-0512 [0,2,0,0,0,0|1,0,1]=4 117 B13R1.3981 CCOC1=C(O)C(I)=CC(C=O)=C1 BB57-5598 [0,2,0,0,0,0|1,0,0]=3 118 B13R1.3981 CCOC1=CC(C=O)=CC(Br)=C1O BB05-0087 [0,2,0,0,0,0|1,0,0]=3 119 B13R1.3981 CCOC1=CC(C=O)=CC(Cl)=C1O BB57-7186 [0,2,0,0,0,0|1,0,0]=3 120 B13R1.425 COC1=C(O)C(Br)=C(Br)C(C=O)=C1 BB17-1639 [0,2,0,0,0,0|1,0,0]=3 121 B13R1.433 COC1=CC(C=O)=CC(OC)=C1O BB17-1498 [0,2,0,0,0,0|1,0,0]=3 122 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 BB17-2187 [0,1,0,1,0,0|1,0,0]=3 123 B13R2.449 S=C=NC1=CC2=C(C=C1)OCO2 BB01-6639 [0,1,0,1,0,0|1,0,1]=4 124 B13R2.599 COC1=C(Cl)C=C2C=CNC2=C1 BB31-7385 [0,1,0,1,0,0|1,0,0]=3 125 B13R2.599 O=CC1=C(Cl)C=C2OCOC2=C1 BB57-7177 [0,1,0,1,0,0|1,0,0]=3 126 B11R1.265 COC1=C(C=O)C=CC=C1C BB17-1110 [0,0,0,0,1,1|2,0,0]=4