0 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 BB53-1900 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.167 CC(O)C1=C(O)C=CC(Br)=C1 BB53-1844 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.167 CC1=CN=C(O)C([N+](=O)[O-])=C1 BB12-2231 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.167 CC1=NNC(=O)C(C(=O)O)=C1 BB17-0297 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.167 NC(=O)C1=C(Br)C=CC(I)=C1 BB17-0460 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.167 NC(=O)C1=C(Cl)C=CC(Br)=C1 BB17-0366 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.167 NC1=C([N+](=O)[O-])C=C(Br)C=C1 BB12-2921 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.167 NC1=C([N+](=O)[O-])C=C(Cl)C=C1 BB12-1688 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.167 O=[N+]([O-])C1=C(F)C=CC(F)=C1 BB53-1950 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.167 O=[N+]([O-])C1=NC(Br)=CC=C1O BB20-3375 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.30 CC1=CC=C(C)C(NN)=C1 BB56-2533 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.30 CC1=CC=C(F)C(NN)=C1 BB56-2743 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.30 CC1=CC=C(O)C(CO)=N1 BB12-2201 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.30 CCC1=C(N)C=CC(I)=C1 BB17-0313 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.30 CNC1=C(C)C=CC(Cl)=C1 BB01-7292 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.30 CNC1=C(Cl)C=CC(F)=C1 BB01-7287 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 BB17-1585 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.30 O=CC1=CC(I)=CC=C1O BB12-2260 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.61 CN(C)C1=C(N)C=CC=C1 BB12-1582 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.61 NC1=C(C(=O)O)C=CN=C1 BB12-1728 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 BB12-3503 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.61 O=[N+]([O-])C1=NC=CC=C1O BB01-6547 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.113 CC(N)C1=CC(Br)=CC=C1 BB53-1527 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 BB20-4612 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 BB17-0499 [1,0,0,0,0,0|3,0,0]=4 25 B12R1.46 CC1=CC=C(NN)C([N+](=O)[O-])=C1 BB56-0062 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.46 COC1=C(C(=O)O)C=C(Cl)C=C1 BB17-0434 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.46 COC1=C(C(N)=O)C=C(Cl)C=C1 BB17-0436 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.46 COC1=C(C(N)=O)C=C(N)C=C1 BB53-1550 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.232 CC(=O)C1=CC(F)=C(F)C=C1F BB12-2273 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.232 CC1=CC(O)=C(C(=O)O)C=C1C BB12-4724 [0,1,0,0,0,0|1,0,0]=2 31 B12R1.232 NC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 BB12-4680 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.354 NNC(=O)C1=C(O)C=CC(Br)=C1 BB12-2571 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.453 COC1=CC(C(=O)O)=C(O)C=C1 BB12-4643 [0,1,0,0,0,0|1,0,0]=2 34 B12R1.453 COC1=CC([N+](=O)[O-])=C(Cl)C=C1 BB17-0386 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.453 NNC1=CC(C(=O)O)=C(Cl)C=C1 BB17-0985 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.511 CC1=CC(Br)=CC(C(=O)O)=C1O BB12-4699 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.511 CC1=CC(Cl)=CC(C(=O)O)=C1O BB17-0394 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.511 CC1=CC(I)=CC(C(=O)O)=C1O BB17-1056 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.511 CC1=CC(N)=CC(C(=O)O)=C1O BB17-0393 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.511 CC1=CC([N+](=O)[O-])=C(N)C(C)=C1 BB12-4749 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.511 CC1=CC([N+](=O)[O-])=C(N)C(Cl)=C1 BB17-2756 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.511 NC(=O)C1=C(I)C(Cl)=CC(Cl)=C1 BB17-0766 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.511 NC1=C(C(=O)O)C=C(Br)C=C1Cl BB17-0405 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.511 NC1=CC(C(=O)O)=C(O)C(Br)=C1 BB12-4652 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.511 NC1=CC(Cl)=CC(C(=O)O)=C1O BB17-0739 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.511 O=C(O)C1=C(Br)C(Cl)=CC(Cl)=C1 BB12-5104 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.511 O=C(O)C1=C(I)C(Cl)=CC(Cl)=C1 BB17-0679 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.511 O=C(O)C1=C(O)C(Br)=CC(Cl)=C1 BB12-4702 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.511 O=C(O)C1=C(O)C(Cl)=CC(Cl)=C1 BB17-0687 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.59 CC(=O)C1=C(C)SC(C)=N1 BB12-3985 [0,0,0,0,1,0|3,0,0]=4 51 B10R1.192 CC(=O)C1=C(C)OC=C1C BB17-2351 [0,0,0,0,1,0|2,0,0]=3 52 B10R1.192 CC(=O)C1=C(N)NN=C1C BB12-4384 [0,0,0,0,1,0|3,0,0]=4 53 B12R1.127 CC(=O)NC1=C(N)C=CC(C)=C1 BB12-1695 [0,0,0,0,0,1|1,0,0]=2 54 B12R1.127 CC(=O)NC1=CC(N)=CC=C1O BB17-2624 [0,0,0,0,0,1|1,0,0]=2 55 B12R1.127 CC1=CC(NC(N)=S)=C(C)C=C1 BB17-1000 [0,0,0,0,0,1|2,1,0]=4 56 B12R1.127 CC1=CC=C(C)C(CC(=O)O)=C1 BB56-0458 [0,0,0,0,0,1|2,0,0]=3 57 B12R1.127 CC1=CC=C(Cl)C(CC(=O)O)=C1 BB56-1010 [0,0,0,0,0,1|2,0,0]=3 58 B12R1.127 NC(=S)NC1=C(O)C=CC(Cl)=C1 BB17-0577 [0,0,0,0,0,1|2,1,0]=4 59 B9R1.2 CC1=CC(NN)=CC=C1 BB56-2532 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.2 CNC1=CC(F)=CC=C1 BB01-7291 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.15 CNC1=C(C)C=CC=C1 BB01-7286 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.15 CNC1=CC=CC=C1N BB12-2750 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.15 O=CC1=CC=CN=C1Br BB56-0225 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.69 CC1=CC(=O)C(O)=CN1 BB26-0805 [2,0,0,0,0,0|1,0,0]=3 65 B9R1.69 CC1=CC(=O)C(O)=CO1 BB26-0385 [2,0,0,0,0,0|1,0,0]=3 66 B9R1.69 CC1=CC=C(N)C(N)=C1 BB56-0557 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.69 CC1=CC=C(N)C(S)=C1 BB17-0861 [2,0,0,0,0,0|1,1,0]=4 68 B11R1.8 CC1=CC(Br)=CC(C=O)=C1O BB17-1050 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.8 CC1=CC(C=O)=C(O)C(Br)=C1 BB17-1086 [1,1,0,0,0,0|0,0,0]=2 70 B11R1.8 CC1=CC(I)=CC(C=O)=C1O BB17-1054 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.8 COC1=C(O)C(Br)=CC(Br)=C1 BB17-1853 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.8 O=CC1=C(O)C(Cl)=CC(Cl)=C1 BB17-1073 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.37 COC1=C(OC)C=C(I)C=C1 BB12-5007 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.72 C(=O)C1=C(Cl)C=CC(Cl)=C1Cl BB53-1944 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.182 CCNC1=CC(C)=CC=C1C BB01-7293 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.277 CC1=CC(O)=C(C=O)C=C1Br BB17-1091 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.277 O=CC1=CC(O)=C(Br)C=C1Br BB17-2302 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.280 COC1=C(O)C=CC(CO)=C1 BB17-0749 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.280 COC1=CC(C=O)=C(F)C=C1 BB01-6273 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 BB12-1453 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.53 NNC1=CC=CC=C1C(=O)O BB12-2554 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1Br BB20-4624 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.159 O=C(O)C1=C(O)C(Br)=CC=C1 BB12-4608 [1,1,0,0,0,0|1,0,0]=3 84 B11R1.159 O=C(O)C1=C(O)C(Cl)=CC=C1 BB12-4662 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 BB12-2243 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.166 NC1=CC(Br)=C(C(=O)O)C=C1 BB17-0728 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 BB20-4599 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 BB12-2552 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.166 O=C(O)C1=C(O)C=C(O)N=C1 BB12-2178 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.222 COC(=O)C1=C(O)N=CN=C1 BB12-4463 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.222 COC(=O)C1=C(S)C=CC=C1 BB12-1508 [1,1,0,0,0,0|0,1,0]=3 92 B11R1.222 COC(=O)C1=NC=CC=C1O BB17-0205 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 BB12-2899 [1,1,0,0,0,0|1,0,0]=3 94 B11R1.21 CC1=C(Cl)C=CC([N+](=O)[O-])=C1 BB17-0545 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 BB12-4696 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.23 CC1=CC(C(=O)NN)=CC=C1 BB12-2533 [1,1,0,0,0,0|1,0,0]=3 97 B11R1.23 CNC(=O)C1=CC=NC(Cl)=C1 BB12-3222 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 BB12-2280 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.266 N#CC1=CC=CC(C(N)=O)=C1 BB12-1669 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.266 NCC1=CC([N+](=O)[O-])=CC=C1 BB12-2269 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.225 CC1=CC(C(=O)CCl)=C(C)S1 BB12-1786 [0,1,0,0,1,0|2,0,0]=4 102 B11R1.875 COC(=O)C1=C(C)NC=C1C BB12-2153 [0,1,0,0,1,0|2,0,0]=4 103 B13R1.876 CC(=O)NC1=C(Cl)C=C(Cl)C(Cl)=C1 BB12-5053 [0,1,0,0,0,1|2,0,0]=4 104 B13R1.876 CC(=O)NC1=CC(Cl)=C(C)C=C1Br BB53-4228 [0,1,0,0,0,1|2,0,0]=4 105 B13R1.876 CC1=CC(C)=C(C)C=C1CC(=O)O BB56-2602 [0,1,0,0,0,1|2,0,0]=4 106 B13R1.897 CC1=CC=C(C)C(C(N)C(=O)O)=C1 BB56-0071 [0,1,0,0,0,1|2,0,0]=4 107 B13R1.2872 CC1=CC=C(Br)C(NC(=O)CCl)=C1 BB17-1078 [0,1,0,0,0,1|1,0,0]=3 108 B13R1.2872 CC1=CC=C(Cl)C=C1NC(=O)CBr BB17-0220 [0,1,0,0,0,1|2,0,0]=4 109 B13R1.2872 CC1=CC=C(F)C(NC(=O)CBr)=C1 BB17-0275 [0,1,0,0,0,1|1,0,0]=3 110 B13R1.2872 CC1=CC=C(F)C=C1NC(=O)CBr BB17-0290 [0,1,0,0,0,1|2,0,0]=4 111 B13R1.2872 CC1=CC=C(O)C(NC(=O)CCl)=C1 BB17-1074 [0,1,0,0,0,1|0,0,0]=2 112 B13R1.2872 C\C(C=O)=C/C1=C(O)C=CC(Br)=C1 BB17-1487 [0,1,0,0,0,1|1,0,0]=3 113 B13R1.2872 C\C(C=O)=C\C1=C(O)C=CC(Cl)=C1 BB17-1588 [0,1,0,0,0,1|1,0,0]=3 114 B13R1.2872 O=C(CCl)NC1=CC(Cl)=CC=C1O BB20-2562 [0,1,0,0,0,1|1,0,0]=3 115 B13R1.3089 COC1=C(CC(=O)O)C=C(C)C=C1 BB56-1111 [0,1,0,0,0,1|1,0,0]=3 116 B13R1.3089 COC1=C(CC(=O)O)C=C(Cl)C=C1 BB56-2525 [0,1,0,0,0,1|2,0,0]=4 117 B13R1.3089 COC1=CC=C(Br)C=C1CC(=O)O BB56-1608 [0,1,0,0,0,1|2,0,0]=4 118 B13R1.2209 COC1=CC=C(Br)C=C1C(=O)NN BB12-2558 [0,2,0,0,0,0|2,0,0]=4 119 B13R1.2430 COC1=CC=C(CO)C=C1[N+](=O)[O-] BB12-2232 [0,2,0,0,0,0|2,0,0]=4 120 B13R1.2430 COC1=CC=C(OC)C([N+](=O)[O-])=C1 BB17-0329 [0,2,0,0,0,0|2,0,0]=4 121 B13R1.3255 COC1=C(C(=O)O)C=C(Br)C=C1C BB12-4700 [0,2,0,0,0,0|2,0,0]=4 122 B13R1.3255 COC1=C(C(=O)O)C=C(Br)C=C1Cl BB17-2508 [0,2,0,0,0,0|2,0,0]=4 123 B13R1.3255 COC1=C(C(=O)O)C=C(Cl)C=C1C BB17-0443 [0,2,0,0,0,0|2,0,0]=4 124 B13R1.3255 COC1=C(C(N)=O)C=C(Br)C=C1C BB12-4627 [0,2,0,0,0,0|2,0,0]=4 125 B13R1.3255 COC1=C(C(N)=O)C=C(Cl)C=C1C BB17-0440 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.3255 COC1=C(C(N)=O)C=C(Cl)C=C1Cl BB17-0435 [0,2,0,0,0,0|2,0,0]=4 127 B13R1.2811 CC1=C(C)C(O)=C(C(=O)O)C=C1Br BB17-2157 [0,2,0,0,0,0|2,0,0]=4 128 B13R1.2811 CC1=CC(C(=O)O)=C(O)C(N)=C1C BB17-0689 [0,2,0,0,0,0|1,0,0]=3 129 B13R1.446 CCOC(=O)C1=C(O)C=CC(Br)=C1 BB12-2893 [0,2,0,0,0,0|1,0,0]=3 130 B13R1.4789 COC(=O)C1=C(I)C(Cl)=CC(Cl)=C1 BB17-0733 [0,2,0,0,0,0|2,0,0]=4 131 B13R1.4789 COC(=O)C1=CC(Br)=CC(Br)=C1O BB12-2239 [0,2,0,0,0,0|1,0,0]=3 132 B13R1.4789 NNC(=O)C1=CC(Br)=CC(Br)=C1O BB17-1118 [0,2,0,0,0,0|2,0,0]=4 133 B13R1.13 CC(=O)C1=CC(C(C)C)=CC=C1C BB17-2377 [0,2,0,0,0,0|1,0,0]=3 134 B13R1.13 CC(C)C1=CC(C(=O)O)=C(O)C=C1 BB17-0621 [0,2,0,0,0,0|1,0,0]=3 135 B13R1.13 NC(=O)C1=C(O)C=CC([N+](=O)[O-])=C1 BB12-0721 [0,2,0,0,0,0|2,0,0]=4 136 B13R1.13 NC(=O)C1=C(O)C=CC([N+](=O)[O-])=C1 BB53-1342 [0,2,0,0,0,0|2,0,0]=4 137 B13R1.387 CCOC1=CC(C(=O)O)=C(O)C=C1 BB17-1068 [0,2,0,0,0,0|1,0,0]=3 138 B13R1.437 COC1=CC(C(=O)O)=C(O)C(Cl)=C1 BB12-4642 [0,2,0,0,0,0|1,0,0]=3 139 B13R1.299 CC1=CC(C=O)=C(O)C([N+](=O)[O-])=C1 BB17-1087 [0,2,0,0,0,0|2,0,0]=4 140 B13R1.299 COC1=CC(Br)=CC(C(=O)O)=C1O BB17-1057 [0,2,0,0,0,0|2,0,0]=4 141 B13R1.299 COC1=CC(Cl)=CC(C(=O)O)=C1O BB17-0680 [0,2,0,0,0,0|2,0,0]=4 142 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 BB12-3713 [0,0,1,1,0,0|2,0,0]=4 143 B13R2.155 CC1=CC=C2OCC(=S)NC2=C1 BB10-0377 [0,0,0,1,0,1|0,1,0]=3 144 B9R1.22 CC1=CC(C=O)=C(C)N1 BB17-1648 [1,0,0,0,1,0|2,0,0]=4 145 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 BB12-2255 [1,0,0,0,0,1|1,0,0]=3