0 B11R1.280 CC1=C(C#N)C=C(C=O)C=C1 BB12-1259 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.280 COC1=C(C)C=CC(CO)=C1 BB32-2628 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.280 COC1=C(O)C=CC(C#N)=C1 BB05-0505 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.280 COC1=C(O)C=CC(CO)=C1 BB17-0749 [0,0,0,0,0,0|1,0,1]=2 4 B11R1.280 N#CC1=C(F)C=CC(C=O)=C1 BB12-3557 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.280 O=CC1=C(O)C=CC(CCl)=C1 BB57-7172 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.280 O=CC1=CC(CO)=CC=C1O BB55-7415 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.30 CCC1=C(N)C=CC(I)=C1 BB17-0313 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.30 CCC1=C(O)C=CC(C)=N1 BB57-2944 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.30 CNC1=C(C)C=CC(Cl)=C1 BB01-7292 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.30 CNC1=C(Cl)C=CC(F)=C1 BB01-7287 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 BB17-1585 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.30 O=CC1=CC(I)=CC=C1O BB12-2260 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.172 COC1=CC(NN)=CC=C1 BB01-6124 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 BB12-1260 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.176 CC1=C(Br)C=CC(CN)=C1 BB31-2860 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.176 CC1=C(F)C=C(C=O)C=C1 BB12-2251 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.176 CC1=CC(NN)=CC=C1Br BB56-0331 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.176 CC1=CC=C(NN)C=C1C BB56-2531 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.176 CCC1=CC(N)=C(O)C=C1 BB55-4801 [1,0,0,0,0,0|1,0,2]=4 20 B10R1.176 CCC1=CC=C(O)C(N)=C1 BB05-4230 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.176 CNC1=CC(C)=C(C)C=C1 BB01-8187 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.176 COC1=CC(N)=C(O)C=C1 BB54-1501 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.176 N#CC1=CC(N)=C(O)C=C1 BB57-6685 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.176 O=CC1=CC(I)=C(O)C=C1 BB17-2246 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.176 O=CC1=CC=C(F)C(Cl)=C1 BB12-4694 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.176 OCC1=CC(Br)=C(O)C=C1 BB55-8702 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.176 [C-]#[N+]C1=CC=C(C)C(C)=C1 BB56-1194 [1,0,0,0,0,0|2,0,1]=4 28 B12R1.56 CCC1=CC(C(=O)O)=CC=C1F BB58-4734 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.56 CNC1=CC(C(=O)O)=CC=C1O BB57-6482 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.56 COC1=C(I)C=CC([N+](=O)[O-])=C1 BB12-4663 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.56 NCC1=C(O)C=CC(C(=O)O)=C1 BB57-4979 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 BB54-3376 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.78 [C-]#[N+]C1=C(OC)C=C(OC)C=C1 BB56-1820 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.270 CCOC1=C(O)C=CC(C#N)=C1 BB05-0511 [0,1,0,0,0,0|1,0,1]=3 35 B12R1.270 CCOC1=C(O)C=CC(CN)=C1 BB54-4742 [0,1,0,0,0,0|1,0,1]=3 36 B12R1.300 C(=O)C1=CC(OC)=C(O)C(Br)=C1 BB12-2858 [0,1,0,0,0,0|1,0,0]=2 37 B12R1.300 COC1=C(O)C(Cl)=CC(C=O)=C1 BB54-0100 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.300 COC1=C(O)C(I)=CC(C#N)=C1 BB05-0510 [0,1,0,0,0,0|1,0,1]=3 39 B12R1.300 COC1=CC(C#N)=CC(Br)=C1O BB55-4305 [0,1,0,0,0,0|1,0,1]=3 40 B12R1.300 COC1=CC(C#N)=CC(N)=C1O BB54-5593 [0,1,0,0,0,0|1,0,1]=3 41 B12R1.300 COC1=CC(C=O)=CC(O)=C1O BB54-5279 [0,1,0,0,0,0|1,0,0]=2 42 B12R1.449 COC1=C(O)C=C(Br)C(C=O)=C1 BB05-0508 [0,1,0,0,0,0|1,0,0]=2 43 B12R1.449 COC1=C(O)C=C(Cl)C(C=O)=C1 BB17-1452 [0,1,0,0,0,0|1,0,0]=2 44 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O BB55-0972 [0,1,0,0,0,0|1,0,0]=2 45 B12R1.449 COC1=CC(C=O)=C(O)C=C1O BB57-5979 [0,1,0,0,0,0|1,0,0]=2 46 B12R2.44 ClCC1=CC2=C(C=C1)OCO2 BB01-4892 [0,0,0,1,0,0|1,0,1]=3 47 B9R1.2 C=CC1=CC(O)=CC=C1 BB58-0330 [2,0,0,0,0,0|0,0,0]=2 48 B9R1.2 CC1=CC(NN)=CC=C1 BB56-2532 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.2 CNC1=CC(C)=CC=C1 BB01-7304 [2,0,0,0,0,0|1,0,1]=4 50 B9R1.2 CNC1=CC(F)=CC=C1 BB01-7291 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.2 N#CC1=CC(O)=CC=C1 BB20-4617 [2,0,0,0,0,0|1,0,1]=4 52 B9R1.15 CNC1=C(C)C=CC=C1 BB01-7286 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.15 CNC1=CC=CC=C1N BB12-2750 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.15 COC1=C(N)C=NC=C1 BB54-5707 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.15 COC1=CC=CN=C1C BB17-0165 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.69 CC1=C(O)N=CC(Br)=C1 BB54-2170 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.69 CC1=NC(C)=C(O)C=C1 BB54-5298 [2,0,0,0,0,0|1,0,1]=4 58 B9R1.69 NC1=CC(Br)=CC=C1O BB54-0054 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.69 NC1=CC(I)=C(O)C=C1 BB57-4918 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.69 NC1=CC=C(F)C=C1O BB12-2894 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.1 NCC1=CC=C(O)C=C1 BB12-1603 [2,0,0,0,0,0|1,0,1]=4 62 B11R1.8 COC1=C(O)C(Br)=CC(Br)=C1 BB17-1853 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.37 COC1=C(OC)C=C(I)C=C1 BB12-5007 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 BB53-1900 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.167 CC(=O)C1=CC(F)=CC=C1O BB01-7439 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.167 CC(O)C1=C(O)C=CC(Br)=C1 BB53-1844 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.182 CCNC1=C(O)C=CC(C)=C1 BB57-5463 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.277 COC1=CC(Br)=C(N)C=C1F BB01-7069 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.189 CCNC1=CC=CC(OC)=C1 BB32-1922 [1,1,0,0,0,0|0,0,2]=4 70 B11R1.189 COC1=CC(CNN)=CC=C1 BB55-6524 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.189 COC1=CC=CC(CCN)=C1 BB12-0768 [1,1,0,0,0,0|0,0,2]=4 72 B11R1.266 COC1=CC(C(C)N)=CC=C1 BB05-0763 [1,1,0,0,0,0|0,0,2]=4 73 B11R1.14 CC1=CC(CO)=CC(C)=C1O BB55-8695 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.14 O=CC1=CC(Br)=C(O)C(Br)=C1 BB05-2808 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.14 O=CC1=CC(Br)=C(O)C(Br)=C1 BB12-2867 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.14 O=CC1=CC(Br)=C(O)C(Cl)=C1 BB17-1454 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.14 O=CC1=CC(Cl)=C(O)C(Cl)=C1 BB54-1752 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.21 CC(=O)C1=CC(C)=C(C)C=C1 BB55-3428 [1,1,0,0,0,0|1,0,1]=4 79 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 BB12-2899 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.21 CC(=O)C1=CC=C(Br)C(O)=C1 BB01-7488 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.279 COC1=C(I)C=C(C=O)C=C1 BB17-1449 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.279 COC1=C(O)C=C(CN)C=C1 BB54-0027 [1,1,0,0,0,0|1,0,1]=4 83 B11R1.279 COC1=CC=C(C#N)C=C1O BB54-1520 [1,1,0,0,0,0|1,0,1]=4 84 B13R1.298 COC1=C(O)C(N)=CC(C(=O)O)=C1 BB54-5524 [0,2,0,0,0,0|1,0,0]=3 85 B13R1.354 CCCC1=C(O)C=CC(C(=O)O)=C1 BB57-5840 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.355 CCOC1=C(OC)C=CC(CN)=C1 BB54-4757 [0,2,0,0,0,0|1,0,1]=4 87 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 BB12-2718 [0,2,0,0,0,0|0,0,2]=4 88 B13R1.434 COC1=C(OC)C(Br)=CC(C=O)=C1 BB55-0971 [0,2,0,0,0,0|1,0,0]=3 89 B13R1.434 COC1=C(OC)C(O)=CC(C=O)=C1 BB58-2901 [0,2,0,0,0,0|1,0,0]=3 90 B13R1.1249 CCOC1=C(OC)C=C(CN)C=C1 BB01-6610 [0,2,0,0,0,0|1,0,1]=4 91 B13R1.1249 COC1=CC(OC)=C(CCO)C=C1 BB31-7699 [0,2,0,0,0,0|1,0,1]=4 92 B13R1.2200 COC1=C(OC)C=C(C=O)C(Cl)=C1 BB17-2298 [0,2,0,0,0,0|1,0,0]=3 93 B13R1.2200 COC1=C(OC)C=C(CCl)C(Br)=C1 BB58-1708 [0,2,0,0,0,0|1,0,1]=4 94 B13R1.2200 COC1=CC(N)=C(C#N)C=C1OC BB54-1282 [0,2,0,0,0,0|1,0,1]=4 95 B13R1.2900 CCOC1=C(O)C=C(Br)C(C#N)=C1 BB05-0514 [0,2,0,0,0,0|1,0,1]=4 96 B13R1.2900 CCOC1=C(O)C=C(Br)C(C=O)=C1 BB05-0513 [0,2,0,0,0,0|1,0,0]=3 97 B13R1.2900 CCOC1=CC(C=O)=C(Br)C=C1O BB55-0973 [0,2,0,0,0,0|1,0,0]=3 98 B13R1.3981 CCOC1=CC(C=O)=CC(Br)=C1O BB54-0278 [0,2,0,0,0,0|1,0,0]=3 99 B13R1.4030 COC1=CC(\C=N\O)=CC(N)=C1O BB54-5615 [0,2,0,0,0,0|1,0,0]=3 100 B13R1.433 COC1=C(O)C(CCl)=CC(C=O)=C1 BB57-7170 [0,2,0,0,0,0|1,0,0]=3 101 B11R2.36 BrC1=CC2=C(C=C1)CCO2 BB31-4067 [1,0,0,1,0,0|2,0,0]=4 102 B13R2.430 CC(N)C1=CC2=C(C=C1)OCO2 BB55-0011 [0,1,0,1,0,0|0,0,2]=4 103 B13R2.57 C(=O)C1=CC2=C(C=C1)OCCO2 BB54-4268 [0,1,0,1,0,0|1,0,0]=3 104 B13R2.57 CNC1=CC2=C(C=C1)OCCO2 BB58-4735 [0,1,0,1,0,0|1,0,1]=4 105 B13R2.57 N#CC1=CC=C2OCCOC2=C1 BB54-4462 [0,1,0,1,0,0|1,0,1]=4 106 B13R2.57 NNC1=CC=C2OCCOC2=C1 BB56-0053 [0,1,0,1,0,0|2,0,0]=4 107 B13R2.2121 CC1CC2=CC(C=O)=CC=C2O1 BB58-4721 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.449 O=C=NC1=CC=C2OCOC2=C1 BB12-2205 [0,1,0,1,0,0|1,0,1]=4 109 B13R2.599 COC1=CC2=C(C=C1N)OCO2 BB54-3058 [0,1,0,1,0,0|1,0,1]=4 110 B13R2.599 N#CC1=C(N)C=C2OCOC2=C1 BB54-1191 [0,1,0,1,0,0|1,0,1]=4 111 B13R2.599 NCC1=CC2=C(C=C1Br)OCO2 BB54-4884 [0,1,0,1,0,0|1,0,1]=4 112 B13R2.599 O=CC1=CC2=C(C=C1Br)OCO2 BB54-0101 [0,1,0,1,0,0|1,0,0]=3 113 B13R2.654 O=CC1=CC2=C(OCO2)C(Br)=C1 BB58-0636 [0,1,0,1,0,0|1,0,0]=3