0 B12R2.44 COC1=CC2=C(C=C1)OCO2 BB57-6156 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 BB01-6157 [0,0,0,0,0,0|1,0,1]=2 2 B12R2.44 NCC1=CC2=C(C=C1)OCO2 BB01-5536 [0,0,0,0,0,0|1,0,1]=2 3 B12R2.44 O=CC1=CC2=NSN=C2C=C1 BB57-0399 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.44 O=CC1=CC=C2C=CNC2=C1 BB01-0975 [0,0,0,0,0,0|2,0,1]=3 5 B12R2.44 O=CC1=CC=C2NC=CC2=C1 BB01-0974 [0,0,0,0,0,0|2,0,1]=3 6 B12R2.44 O=CC1=CC=C2OCCC2=C1 BB01-8349 [0,0,0,0,0,0|1,0,0]=1 7 B11R2.36 BrC1=CC2=C(C=C1)NCC2 BB57-5234 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.36 NC1=CC2=C(C=C1)NCC2 BB01-5762 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 BB55-8507 [0,1,0,0,0,0|1,1,1]=4 10 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=N2 BB01-0986 [0,1,0,0,0,0|2,0,1]=4 11 B13R2.430 O=C(O)C1=CC2=C(C=C1)NN=N2 BB20-0034 [0,1,0,0,0,0|3,0,0]=4 12 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 BB17-2187 [0,1,0,0,0,0|0,0,0]=1 13 B13R2.430 O=C(O)C1=CC2=NSN=C2C=C1 BB58-2158 [0,1,0,0,0,0|3,0,0]=4 14 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 BB01-0941 [0,1,0,0,0,0|2,0,1]=4 15 B13R2.430 O=C(O)C1=CC=C2NC=CC2=C1 BB01-0995 [0,1,0,0,0,0|2,0,1]=4 16 B13R2.430 O=[N+]([O-])C1=CC=C2CCNC2=C1 BB55-7555 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.449 S=C=NC1=CC2=C(C=C1)OCO2 BB01-6639 [0,1,0,0,0,0|0,1,1]=3 18 B13R2.599 O=CC1=C(Cl)C=C2OCOC2=C1 BB57-7177 [0,1,0,0,0,0|0,0,0]=1 19 B11R1.83 C=CC1=CC=C(CCC)C=C1 BB01-8159 [0,0,1,0,0,0|3,0,0]=4 20 B11R1.83 CCOC1=CC=C(CN)C=C1 BB55-3615 [0,0,1,0,0,0|2,0,1]=4 21 B11R1.83 CCOC1=CC=C(NN)C=C1 BB01-6126 [0,0,1,0,0,0|3,0,0]=4 22 B11R1.189 CCOC1=CC(C=O)=CC=C1 BB55-0788 [0,0,1,0,0,0|1,0,0]=2 23 B11R1.189 CCOC1=CC=CC(CN)=C1 BB57-0157 [0,0,1,0,0,0|2,0,1]=4 24 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 BB05-0519 [0,0,1,0,0,0|1,0,0]=2 25 B11R1.279 COC1=C(F)C=C(C#N)C=C1 BB01-6213 [0,0,1,0,0,0|2,0,1]=4 26 B11R1.279 COC1=C(O)C=C(C=O)C=C1 BB17-2318 [0,0,1,0,0,0|0,0,0]=1 27 B11R1.279 COC1=CC=C(C=O)C=C1Br BB01-6256 [0,0,1,0,0,0|1,0,0]=2 28 B11R1.279 COC1=CC=C(C=O)C=C1Cl BB17-1569 [0,0,1,0,0,0|1,0,0]=2 29 B11R1.279 COC1=CC=C(CCl)C=C1F BB01-4987 [0,0,1,0,0,0|2,0,1]=4 30 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 BB17-2319 [0,0,1,0,0,0|1,0,0]=2 31 B11R1.280 COC1=C(F)C=CC(C=O)=C1 BB01-4798 [0,0,1,0,0,0|1,0,0]=2 32 B11R1.280 COC1=CC(CN)=CC=C1O BB57-0245 [0,0,1,0,0,0|1,0,1]=3 33 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 BB57-0554 [0,0,0,0,0,1|2,0,1]=4 34 B10R1.1 NC1=CC=C(CCO)C=C1 BB01-6117 [1,0,1,0,0,0|2,0,0]=4 35 B10R1.3 CNC1=CC=C(OC)C=C1 BB57-6647 [1,0,1,0,0,0|2,0,0]=4 36 B10R1.3 CSC1=CC=C(C=O)C=C1 BB17-2315 [1,0,1,0,0,0|0,1,0]=3 37 B10R1.3 N#CC1=CC=C(C=O)C=C1 BB01-6198 [1,0,1,0,0,0|1,0,1]=4 38 B10R1.10 CCOC1=CC=CC(O)=C1 BB20-1271 [1,0,1,0,0,0|1,0,1]=4 39 B10R1.172 CNC1=CC(OC)=CC=C1 BB01-3262 [1,0,1,0,0,0|2,0,0]=4 40 B10R1.172 COC1=CC=CC(C=O)=N1 BB01-8348 [1,0,1,0,0,0|1,0,0]=3 41 B10R1.172 COC1=CC=CC(CN)=C1 BB01-6176 [1,0,1,0,0,0|1,0,1]=4 42 B10R1.172 N#CC1=CC=CC(C=O)=C1 BB57-2100 [1,0,1,0,0,0|1,0,1]=4 43 B10R1.25 COC1=C(Br)C=C(Br)C=C1 BB17-0585 [1,0,1,0,0,0|2,0,0]=4 44 B10R1.25 COC1=C(F)C=C(N)C=C1 BB01-8291 [1,0,1,0,0,0|2,0,0]=4 45 B10R1.25 COC1=C(N)C=C(C)C=C1 BB17-1892 [1,0,1,0,0,0|1,0,1]=4 46 B10R1.25 COC1=C(O)C=C(O)C=C1 BB55-7332 [1,0,1,0,0,0|0,0,1]=3 47 B10R1.25 COC1=CC=C(Cl)C=C1Br BB01-7948 [1,0,1,0,0,0|2,0,0]=4 48 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 BB01-6038 [1,0,1,0,0,0|2,0,0]=4 49 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 BB17-1104 [1,0,1,0,0,0|1,0,0]=3 50 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 BB17-1495 [1,0,1,0,0,0|1,0,0]=3 51 B10R1.176 O=CC1=CC(F)=C(F)C=C1 BB01-6074 [1,0,1,0,0,0|2,0,0]=4 52 B10R1.176 O=CC1=CC(F)=C(O)C=C1 BB01-7858 [1,0,1,0,0,0|1,0,0]=3 53 B10R1.176 O=CC1=CC=C(Cl)C(F)=C1 BB01-6104 [1,0,1,0,0,0|2,0,0]=4 54 B10R1.30 COC1=C(N)C=CC(Br)=C1 BB17-0541 [1,0,1,0,0,0|2,0,0]=4 55 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 BB58-3546 [0,1,1,0,0,0|0,0,2]=4 56 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 BB01-6361 [0,1,1,0,0,0|1,0,0]=3 57 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 BB05-0095 [0,1,1,0,0,0|1,0,0]=3 58 B12R1.4 O=CC1=CC=C(OC(F)F)C=C1 BB55-0075 [0,1,1,0,0,0|1,0,0]=3 59 B12R1.71 C#CCOC1=CC=C(C=O)C=C1 BB17-1433 [0,1,1,0,0,0|1,0,0]=3 60 B12R1.71 C=CCOC1=CC=C(C=O)C=C1 BB55-0799 [0,1,1,0,0,0|1,0,0]=3 61 B12R1.71 CCCOC1=CC=C(C=O)C=C1 BB01-6501 [0,1,1,0,0,0|1,0,0]=3 62 B12R1.71 N#CCOC1=CC=C(C=O)C=C1 BB57-5602 [0,1,1,0,0,0|1,0,0]=3 63 B12R1.71 O=CC1=CC=C(OCCO)C=C1 BB58-3139 [0,1,1,0,0,0|0,0,0]=2 64 B12R1.71 OCCOC1=CC=C(CO)C=C1 BB58-3140 [0,1,1,0,0,0|0,0,2]=4 65 B12R1.113 CCOC1=CC=C(C(=O)O)C=N1 BB55-3658 [0,1,1,0,0,0|2,0,0]=4 66 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 BB01-4068 [0,1,1,0,0,0|1,0,0]=3 67 B12R1.113 NCCC1=CC=C(C(=O)O)C=C1 BB58-4376 [0,1,1,0,0,0|2,0,0]=4 68 B12R1.114 CCOC1=C(Cl)C=C(C=O)C=C1 BB17-1294 [0,1,1,0,0,0|1,0,0]=3 69 B12R1.114 CCOC1=CC=C(C=O)C=C1Br BB17-1188 [0,1,1,0,0,0|1,0,0]=3 70 B12R1.116 CCOC1=CC=C(N=C=O)C=C1 BB01-4425 [0,1,1,0,0,0|1,0,1]=4 71 B12R1.116 CCOC1=CC=C(N=S=O)C=C1 BB58-0213 [0,1,1,0,0,0|2,0,0]=4 72 B12R1.279 CCOC1=CC(C(=O)O)=CC=C1 BB55-0500 [0,1,1,0,0,0|1,0,0]=3 73 B12R1.279 CCOC1=CC(C(C)=O)=CC=C1 BB55-2292 [0,1,1,0,0,0|1,0,0]=3 74 B12R1.280 CCOC1=C(O)C(C=O)=CC=C1 BB57-6818 [0,1,1,0,0,0|1,0,0]=3 75 B12R1.382 C=CCOC1=CC(C=O)=CC=C1 BB57-7191 [0,1,1,0,0,0|1,0,0]=3 76 B12R1.382 CCCOC1=CC(C=O)=CC=C1 BB55-0789 [0,1,1,0,0,0|1,0,0]=3 77 B12R1.382 O=CC1=CC(OCCO)=CC=C1 BB58-3142 [0,1,1,0,0,0|0,0,0]=2 78 B12R1.382 OCCOC1=CC=CC(CO)=C1 BB58-3141 [0,1,1,0,0,0|0,0,2]=4 79 B12R1.438 O=CC1=CC=CC(OC(F)F)=C1 BB05-1151 [0,1,1,0,0,0|1,0,0]=3 80 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 BB17-0748 [0,1,1,0,0,0|1,0,0]=3 81 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 BB01-8301 [0,1,1,0,0,0|1,0,0]=3 82 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 BB17-0355 [0,1,1,0,0,0|1,0,0]=3 83 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 BB57-1375 [0,1,1,0,0,0|0,0,0]=2 84 B12R1.48 COC1=CC=C(C(=O)Cl)C=C1O BB58-5016 [0,1,1,0,0,0|0,0,0]=2 85 B12R1.48 COC1=CC=C(C(N)=O)C=C1Br BB55-6945 [0,1,1,0,0,0|1,0,0]=3 86 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1O BB58-0111 [0,1,1,0,0,0|1,0,0]=3 87 B12R1.48 COC1=COC(C(=O)O)=CC1=O BB58-1799 [0,1,1,0,0,0|1,0,1]=4 88 B12R1.78 COC1=C(CCl)C=C(C=O)C=C1 BB55-0046 [0,1,1,0,0,0|1,0,0]=3 89 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 BB17-1793 [0,1,1,0,0,0|1,0,1]=4 90 B12R1.78 COC1=C(OC)C=C(CN)C=C1 BB17-1113 [0,1,1,0,0,0|1,0,1]=4 91 B12R1.78 COC1=CC=C(C=O)C=C1CO BB57-7157 [0,1,1,0,0,0|0,0,0]=2 92 B12R1.452 O=CC1=CC(O)=C([N+](=O)[O-])C=C1 BB17-2266 [0,1,1,0,0,0|2,0,0]=4 93 B12R1.56 COC1=C(Cl)C=CC([N+](=O)[O-])=C1 BB17-0546 [0,1,1,0,0,0|2,0,0]=4 94 B12R1.300 COC1=C(O)C(Br)=CC(C=O)=C1 BB05-0507 [0,1,1,0,0,0|0,0,0]=2 95 B12R1.300 COC1=C(O)C(Cl)=CC(C=O)=C1 BB05-0506 [0,1,1,0,0,0|0,0,0]=2 96 B12R1.300 COC1=C(O)C(I)=CC(C=O)=C1 BB05-0509 [0,1,1,0,0,0|0,0,0]=2 97 B12R1.300 COC1=CC(C=O)=CC(I)=C1O BB01-7987 [0,1,1,0,0,0|0,0,0]=2 98 B12R1.453 O=CC1=CC(C(=O)O)=C(O)C=C1 BB57-2282 [0,1,1,0,0,0|2,0,0]=4 99 B12R1.453 O=CC1=CC=C(O)C([N+](=O)[O-])=C1 BB17-2228 [0,1,1,0,0,0|2,0,0]=4 100 B12R2.132 O=C1COC2=C1C=C(F)C=C2 BB32-3028 [1,1,0,0,0,0|2,0,0]=4 101 B14R2.112 S=C=NC1=CC2=C(C=C1)OCCO2 BB55-2447 [0,1,0,0,0,1|0,1,1]=4 102 B14R2.781 CC(=O)C1=CC2=C(C=C1)CCCC2 BB17-2211 [0,1,0,0,0,1|2,0,0]=4 103 B14R2.781 O=C(O)C1=CC=C2CCCCC2=C1 BB57-0241 [0,1,0,0,0,1|2,0,0]=4 104 B14R2.781 O=[N+]([O-])C1=CC2=C(C=C1)OCCO2 BB57-4785 [0,1,0,0,0,1|1,0,0]=3 105 B14R2.601 O=C(O)C1=CC2=C(C=C1)OC(S)=N2 BB57-5259 [0,2,0,0,0,0|1,0,1]=4 106 B14R2.624 O=[N+]([O-])C1=CC2=C(C=C1O)OCO2 BB57-5428 [0,2,0,0,0,0|1,0,0]=3 107 B14R2.966 NNC(=O)C1=CC=C2OCOC2=C1 BB55-1919 [0,2,0,0,0,0|0,0,0]=2 108 B14R2.966 N\C(=N\O)C1=CC2=C(C=C1)OCO2 BB01-2708 [0,2,0,0,0,0|0,0,1]=3 109 B14R2.966 O=C(CBr)C1=CC=C2OCOC2=C1 BB01-4986 [0,2,0,0,0,0|0,0,0]=2 110 B14R2.1008 O=C(O)CC1=CC=C2OCCC2=C1 BB58-1544 [0,2,0,0,0,0|1,0,0]=3 111 B14R2.82 COC1=CC2=C(C=C1C=O)CCC2 BB17-1635 [0,2,0,0,0,0|2,0,0]=4 112 B12R2.24 NC1=CC2=C(C=C1)OCCO2 BB01-5961 [1,0,0,0,0,1|1,0,0]=3