0 B11R1.3 C#CC1=CN=C(C(=O)O)C=C1 BB31-3691 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 BB32-3619 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 BB31-5026 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.3 CC(=O)C1=NC=C(C#N)N=C1 BB31-7431 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 BB52-2759 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.3 CNC1=NC=C(C(=O)O)C=C1 BB31-4402 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.3 CNC1=NC=C(C(N)=O)C=C1 BB32-3557 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.3 COC1=CC=C(S(C)=O)C=C1 BB32-2118 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.3 COC1=CN=C(C(=N)N)C=C1 BB31-9081 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.3 COC1=CN=C(C(C)=O)C=N1 BB32-1991 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.3 COC1=NC=C(C(=O)O)C=N1 BB31-7958 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.3 CS(=O)C1=CC=C(C#N)C=C1 BB31-7405 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 BB31-4161 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 BB31-7862 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 BB31-0182 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 BB31-5217 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.3 C#CC1=CN=C(OC)C=C1 BB32-3693 [1,0,0,0,0,0|1,0,2]=4 17 B10R1.3 CCC1=NC=C(C=O)C=N1 BB52-2735 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.3 CSC1=NC=C(C=O)C=N1 BB52-2222 [1,0,0,0,0,0|2,1,0]=4 19 B10R1.3 N#CC1=CN=C(C=O)C=C1 BB31-3850 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.3 O=CC1=NC=C(CO)C=C1 BB32-2057 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.13 CC(=O)C1=CN=C(C)N=C1 BB31-2353 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.13 CC(=O)C1=CN=C(N)C=C1 BB31-3878 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.13 CC(=O)C1=NC=C(O)C=C1 BB32-3774 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 BB31-5080 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 BB31-5404 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.13 CC1=NC=C(C(=O)O)C=N1 BB52-2338 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.13 CC1=NC=C(C(C)N)C=C1 BB31-7487 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.13 CN(C)C1=CC=C(I)C=C1 BB12-5133 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 BB31-0481 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 BB31-1090 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 BB31-2900 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.13 N=C(N)C1=CC=C(I)C=C1 BB31-9721 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.13 N=C(N)C1=CC=C(N)C=C1 BB31-7117 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.13 NC(=O)C1=NC=C(N)C=C1 BB31-2838 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.13 O=S(O)C1=CC=C(Br)C=C1 BB31-0817 [1,0,0,0,0,0|3,0,0]=4 36 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 BB31-5109 [0,1,0,0,0,0|1,0,1]=3 37 B12R1.5 CNC(=O)C1=CC=C(C=O)C=C1 BB31-3351 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.5 COC(=O)C1=CN=C(CCl)C=C1 BB31-7659 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 BB31-9073 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.5 COC(=O)C1=CN=C(OC)N=C1 BB32-1930 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.5 COC(=O)C1=NC=C(CBr)C=C1 BB31-4912 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.5 COC(=O)C1=NC=C(CN)C=C1 BB31-9857 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.5 COC(=O)C1=NC=C(CO)C=C1 BB32-2012 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.5 COC(=O)C1=NC=C(OC)C=N1 BB32-0162 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.5 COC(=O)C1=NC=C(OC)N=C1 BB32-1559 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.5 COC1=CC=C(C(N)CO)C=C1 BB31-2402 [0,1,0,0,0,0|1,0,1]=3 47 B12R1.5 COC1=CC=C(C(N)CO)C=C1 BB31-9770 [0,1,0,0,0,0|1,0,1]=3 48 B12R1.5 N#CC1=CC=C(C(=O)CCl)C=C1 BB32-1845 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 BB31-4613 [0,1,0,0,0,0|1,0,1]=3 50 B12R1.48 CCC1=C(Cl)C=C([N+](=O)[O-])C=C1 BB32-1667 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.48 CNC1=C(Br)C=C([N+](=O)[O-])C=C1 BB31-7191 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.48 COC1=C(F)C=C(C(C)O)C=C1 BB32-3099 [0,1,0,0,0,0|0,0,2]=3 53 B12R1.48 COC1=C(F)C=C([C@@H](C)N)C=C1 BB32-0030 [0,1,0,0,0,0|1,0,1]=3 54 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 BB32-0730 [0,1,0,0,0,0|1,0,1]=3 55 B12R1.48 COC1=C(O)C=C(B(O)O)C=C1 BB32-3273 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 BB32-3457 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 BB31-5934 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.113 CCOC1=CC=C(C(N)=S)C=C1 BB31-5929 [0,1,0,0,0,0|1,1,0]=3 59 B12R1.113 CCOC1=NN=C(C(=O)O)C=C1 BB31-2746 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.113 CCSC1=CC=C(C(=O)O)C=C1 BB31-1917 [0,1,0,0,0,0|1,1,0]=3 61 B12R1.113 CN(C)C1=CC=C(CCO)C=C1 BB32-2215 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.113 O=C(O)C1=CC=C(C#CBr)C=C1 BB31-2849 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.256 CC(=O)C1=CC=C(C(F)F)C=C1 BB31-3478 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.256 CC(=O)C1=CC=C(C(N)=O)C=C1 BB31-7498 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.256 CS(=O)C1=CC=C(B(O)O)C=C1 BB31-3318 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.256 CS(=O)C1=CC=C(C(=O)O)C=C1 BB31-5070 [0,1,0,0,0,0|1,1,0]=3 67 B12R1.256 C[C@@H](N)C1=CC=C(C(=O)O)C=C1 BB31-5415 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.256 NC(=S)C1=CC=C(C(=O)O)C=C1 BB32-2828 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.452 CC1=C(C(=O)O)C=CC(C=O)=C1 BB32-2768 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.452 CNC1=CC(C)=C([N+](=O)[O-])C=C1 BB31-7593 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.452 COC1=CC(C)=C(C(C)=O)C=C1 BB32-1464 [0,1,0,0,0,0|0,0,0]=1 72 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=N1 BB31-9469 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 BB31-0593 [0,1,0,0,0,0|1,0,1]=3 74 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 BB31-1357 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.31 COC1=CC=C(C(=O)O)S1 BB31-4536 [0,0,0,0,1,0|2,0,0]=3 76 B10R1.31 COC1=NOC(C(=O)O)=C1 BB31-8364 [0,0,0,0,1,0|3,0,0]=4 77 B10R1.31 CSC1=CC=C(C(=O)O)S1 BB31-4118 [0,0,0,0,1,0|2,1,0]=4 78 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 BB32-0934 [0,0,0,0,0,1|2,0,0]=3 79 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 BB32-1158 [0,0,0,0,0,1|2,0,0]=3 80 B12R1.4 COC1=CN=C(CC(=O)O)C=C1 BB32-0118 [0,0,0,0,0,1|2,0,0]=3 81 B9R1.1 C#CC1=CC=C(O)C=C1 BB32-1037 [2,0,0,0,0,0|0,0,2]=4 82 B9R1.1 C=CC1=CC=C(I)C=C1 BB31-4240 [2,0,0,0,0,0|1,0,1]=4 83 B9R1.1 C=CC1=NC=C(C)C=C1 BB32-1317 [2,0,0,0,0,0|1,0,1]=4 84 B9R1.1 CC1=NC=C(C=O)C=N1 BB52-2214 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.1 CNC1=CN=C(C)C=C1 BB31-9222 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.6 C=C(C)C1=CC=CN=C1 BB32-0833 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.6 CC(=O)C1=NC=NC=C1 BB32-1309 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.6 CC(=O)C1=NN=CC=C1 BB31-8246 [2,0,0,0,0,0|2,0,0]=4 89 B11R1.83 COC1=CC=C(CC=O)C=C1 BB32-2943 [1,1,0,0,0,0|0,0,0]=2 90 B11R1.83 COC1=CC=C(CNO)C=C1 BB32-2374 [1,1,0,0,0,0|0,0,2]=4 91 B11R1.279 C#CC1=C(C)C=C(OC)C=C1 BB31-7195 [1,1,0,0,0,0|0,0,2]=4 92 B11R1.279 CC1=C(C#N)C=CC(C=O)=C1 BB31-4451 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.279 CCC1=CC(O)=C(C=O)C=C1 BB31-3289 [1,1,0,0,0,0|1,0,0]=3 94 B11R1.279 COC1=C(Br)C=C(C=O)C=N1 BB32-3818 [1,1,0,0,0,0|1,0,0]=3 95 B11R1.279 COC1=C(C)C=C(CN)C=C1 BB31-8268 [1,1,0,0,0,0|1,0,1]=4 96 B11R1.279 COC1=C(Cl)C=C(C=O)C=N1 BB31-1956 [1,1,0,0,0,0|1,0,0]=3 97 B11R1.279 COC1=C(F)C=C(C=O)C=N1 BB31-8545 [1,1,0,0,0,0|1,0,0]=3 98 B11R1.279 COC1=C(N)C=C(CO)C=C1 BB31-0379 [1,1,0,0,0,0|0,0,2]=4 99 B11R1.279 COC1=CC(Br)=C(CO)C=C1 BB31-3199 [1,1,0,0,0,0|0,0,2]=4 100 B11R1.279 COC1=CC(N)=C(C=O)C=C1 BB32-3011 [1,1,0,0,0,0|0,0,0]=2 101 B11R1.279 COC1=NC(C)=C(C=O)C=C1 BB31-2972 [1,1,0,0,0,0|1,0,0]=3 102 B11R1.279 N#CC1=C(Cl)C=C(C=O)C=C1 BB31-0169 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.279 N#CC1=CC(O)=C(C=O)C=C1 BB31-4713 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.19 CS(=N)(=O)C1=CC=C(Cl)C=C1 BB32-1424 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.19 CS(=N)(=O)C1=CC=C(F)C=C1 BB32-3211 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.19 CS(=O)(=O)C1=CC=C(I)C=C1 BB32-3594 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.19 O=S(=O)(F)C1=CC=C(O)C=C1 BB31-7821 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 BB31-8254 [1,1,0,0,0,0|0,0,0]=2 109 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 BB31-1241 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=N1 BB31-0768 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 BB31-6679 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.21 CC1=C(Cl)C=C([C@@H](C)N)C=C1 BB31-5171 [1,1,0,0,0,0|1,0,1]=4 113 B11R1.21 CC1=C(F)C=C([C@@H](C)N)C=C1 BB32-0729 [1,1,0,0,0,0|1,0,1]=4 114 B11R1.21 CC1=C(O)C=CC(C(C)C)=C1 BB31-3415 [1,1,0,0,0,0|1,0,1]=4 115 B11R1.21 CC1=CC(C(=O)O)=CN=C1C BB31-4837 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.21 CC1=NC=C(C(=O)O)C=C1N BB31-7301 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.21 NC(=O)C1=CC(O)=C(I)C=C1 BB31-8880 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.21 NC1=C(S)C=C(C(=O)O)C=C1 BB31-2543 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 BB31-7853 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 BB32-1297 [1,1,0,0,0,0|0,0,0]=2 121 B11R1.22 CCC(=O)C1=CC=C(I)C=C1 BB32-1953 [1,1,0,0,0,0|1,0,0]=3 122 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 BB32-3823 [1,1,0,0,0,0|1,0,0]=3 123 B11R1.22 COC(=O)C1=NN=C(C)C=C1 BB31-4747 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.22 COC(N)=C1C=CC(=O)C=C1 BB32-3012 [1,1,0,0,0,0|1,0,1]=4 125 B11R1.22 COS(=O)C1=CC=C(C)C=C1 BB32-3711 [1,1,0,0,0,0|1,0,0]=3 126 B11R1.22 N\C(=N/O)C1=CC=C(O)C=C1 BB31-7635 [1,1,0,0,0,0|1,0,1]=4 127 B11R1.22 O=C(CBr)C1=NC=C(Cl)C=C1 BB31-2565 [1,1,0,0,0,0|2,0,0]=4 128 B11R1.22 O=C(CCl)C1=CN=C(Cl)C=C1 BB31-2020 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 BB32-1300 [1,1,0,0,0,0|1,0,0]=3 130 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 BB32-2415 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=N1 BB31-2675 [1,1,0,0,0,0|2,0,0]=4 132 B11R1.166 CC(=O)C1=C(F)C=C(F)C=N1 BB31-9256 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.166 CC(=O)C1=C(N)C=C(Cl)C=C1 BB32-1815 [1,1,0,0,0,0|1,0,0]=3 134 B11R1.166 CC(=O)C1=CN=C(O)N=C1C BB52-6466 [1,1,0,0,0,0|2,0,0]=4 135 B11R1.166 CC1=CC=C(C(=O)O)C(=O)N1 BB52-5680 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.166 CC1=CN=C(C(=O)O)C(C)=C1 BB32-2407 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.166 CC1=NC(N)=C(C(N)=O)C=C1 BB31-9907 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.166 NC(=O)C1=C(N)C=C(F)C=C1 BB31-1326 [1,1,0,0,0,0|2,0,0]=4 139 B11R1.166 NC1=C(C(=O)O)C=CC(O)=C1 BB32-1819 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.166 O=C(O)C1=C(Br)C=C(O)C=C1 BB17-0814 [1,1,0,0,0,0|1,0,0]=3 141 B11R1.166 O=C(O)C1=C(Cl)C=C(O)N=C1 BB31-7039 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.44 COC(=O)C1=NC=C(OC)O1 BB32-2490 [0,1,0,0,1,0|2,0,0]=4 143 B13R1.5 CCC(=O)NC1=CC=C(OC)C=C1 BB31-4450 [0,1,0,0,0,1|0,0,0]=2 144 B13R1.5 COC(=O)CC1=CC=C(CN)C=C1 BB31-7322 [0,1,0,0,0,1|2,0,0]=4 145 B13R1.36 COC1=CC=C(C(O)C(C)C)C=C1 BB31-3591 [0,1,0,0,0,1|1,0,1]=4 146 B13R1.585 CN(C)C1=CC=C(CC(=O)O)C=C1 BB31-5854 [0,1,0,0,0,1|2,0,0]=4 147 B13R1.653 COC1=CC(N)=C(NC(C)=O)C=C1 BB12-7661 [0,1,0,0,0,1|0,0,0]=2 148 B13R1.95 COC(=O)C1=C(Br)C=C(C#N)C=C1 BB31-5033 [0,2,0,0,0,0|2,0,0]=4 149 B13R1.95 COC(=O)C1=C(C)C=C(C=O)C=C1 BB32-3838 [0,2,0,0,0,0|2,0,0]=4 150 B13R1.95 COC(=O)C1=C(I)C=C(OC)C=C1 BB32-2706 [0,2,0,0,0,0|0,0,0]=2 151 B13R1.95 COC(=O)C1=C(N)N=C(OC)C=C1 BB31-0825 [0,2,0,0,0,0|1,0,0]=3 152 B13R1.95 COC(=O)C1=C(O)C=C(C=O)C=C1 BB32-1829 [0,2,0,0,0,0|2,0,0]=4 153 B13R1.95 COC(=O)C1=CC=C(OC)N=C1Br BB31-0155 [0,2,0,0,0,0|1,0,0]=3 154 B13R1.139 COC(=O)C1=CC=C(CCN)C=C1 BB32-2245 [0,2,0,0,0,0|1,0,0]=3 155 B13R1.187 COC1=CC=C(C(F)(F)CO)C=C1 BB31-5603 [0,2,0,0,0,0|1,0,1]=4 156 B13R1.452 CCCC(O)C1=CC=C(OC)C=C1 BB32-0916 [0,2,0,0,0,0|0,0,2]=4 157 B13R1.452 CCOC(=N)C1=CC=C(OC)C=C1 BB32-2511 [0,2,0,0,0,0|1,0,0]=3 158 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 BB31-2602 [0,2,0,0,0,0|2,0,0]=4 159 B13R1.452 COC1=CC=C(C(N)CCO)C=C1 BB31-7205 [0,2,0,0,0,0|1,0,1]=4 160 B13R1.537 CNC(=O)C1=CC=C(C(=O)O)C=C1 BB32-1729 [0,2,0,0,0,0|2,0,0]=4 161 B13R1.537 COC(=O)C1=CC=C(C(N)=S)C=C1 BB31-6815 [0,2,0,0,0,0|1,1,0]=4 162 B13R1.537 COC(=O)C1=CC=C([C@@H](C)N)C=C1 BB31-9152 [0,2,0,0,0,0|1,0,0]=3 163 B13R1.3088 CCC(=O)C1=CC(F)=C(OC)C=C1 BB32-3098 [0,2,0,0,0,0|0,0,0]=2 164 B13R1.3088 COC(=O)C1=CC(C)=C(C=O)C=C1 BB32-1084 [0,2,0,0,0,0|2,0,0]=4 165 B13R1.3088 COC(=O)C1=CC(Cl)=C(C#N)C=C1 BB32-1177 [0,2,0,0,0,0|2,0,0]=4 166 B13R1.3088 COC(=O)C1=CC(O)=C(C#N)C=C1 BB32-3184 [0,2,0,0,0,0|2,0,0]=4 167 B13R1.3088 COC(=O)C1=CC=C(OC)C(Br)=N1 BB32-0586 [0,2,0,0,0,0|1,0,0]=3 168 B13R1.3088 COC(=O)C1=CN=C(OC)C(N)=C1 BB32-3449 [0,2,0,0,0,0|1,0,0]=3 169 B13R1.3088 COC(=O)C1=CN=C(OC)C(O)=C1 BB32-0702 [0,2,0,0,0,0|1,0,0]=3 170 B13R1.338 CC(C)(O)C1=CC=C(C(=O)O)C=C1 BB31-5830 [0,2,0,0,0,0|2,0,0]=4 171 B13R1.120 CC(=O)C1=C(C)C=C([N+](=O)[O-])C=C1 BB32-3930 [0,2,0,0,0,0|2,0,0]=4 172 B13R1.120 CC(=O)C1=C(O)C=C(N(C)C)C=C1 BB31-9896 [0,2,0,0,0,0|1,0,0]=3 173 B13R1.120 CC(C)C1=C(I)C=C(C(=O)O)C=C1 BB31-7126 [0,2,0,0,0,0|2,0,0]=4 174 B13R1.120 CN(C)C1=C(N)C=C(C(N)=O)C=C1 BB12-6092 [0,2,0,0,0,0|2,0,0]=4 175 B13R1.652 COC1=C(Br)C=C(C(=O)O)C(F)=C1 BB31-7333 [0,2,0,0,0,0|1,0,0]=3 176 B13R1.652 COC1=CC(C)=C(C(=O)O)C=C1C BB32-3187 [0,2,0,0,0,0|1,0,0]=3 177 B13R1.652 COC1=CC(C)=C([N+](=O)[O-])C=C1N BB32-3856 [0,2,0,0,0,0|2,0,0]=4 178 B13R1.652 COC1=CC(N)=C([N+](=O)[O-])C=C1N BB31-4355 [0,2,0,0,0,0|2,0,0]=4 179 B13R1.3091 COC1=C(CO)C=C([N+](=O)[O-])C=C1 BB32-3407 [0,2,0,0,0,0|2,0,0]=4 180 B13R1.3091 COC1=C(OC)C=C(C(=N)N)C=C1 BB32-2307 [0,2,0,0,0,0|2,0,0]=4 181 B13R1.3091 COC1=C(OC)N=C(C(=O)O)C=C1 BB32-1852 [0,2,0,0,0,0|2,0,0]=4 182 B13R1.3096 COC1=C(C)C(C)=C(C(=O)O)C=C1 BB32-2340 [0,2,0,0,0,0|1,0,0]=3 183 B13R1.3096 CSC1=C(C)C(Cl)=C(C(C)=O)C=C1 BB32-0799 [0,2,0,0,0,0|0,1,0]=3 184 B13R1.3380 COC1=C(Br)C=C(C(=O)O)C=C1Cl BB17-0742 [0,2,0,0,0,0|1,0,0]=3 185 B13R1.3380 COC1=C(F)C=C(C(C)=O)C=C1F BB31-5751 [0,2,0,0,0,0|0,0,0]=2 186 B13R1.74 C=CCNC1=CC=C(C(=O)O)C=C1 BB32-2438 [0,2,0,0,0,0|2,0,0]=4 187 B13R1.74 C=CCOC1=CC=C(C(=O)Cl)C=C1 BB12-5339 [0,2,0,0,0,0|1,0,0]=3 188 B13R1.74 C=CCOC1=CC=C(C(=O)O)C=C1 BB12-5340 [0,2,0,0,0,0|1,0,0]=3 189 B13R1.74 C=CCOC1=CC=C(C(N)=O)C=C1 BB12-5338 [0,2,0,0,0,0|1,0,0]=3 190 B13R1.428 COC1=CC(F)=C([N+](=O)[O-])C(F)=C1 BB32-3800 [0,2,0,0,0,0|2,0,0]=4 191 B11R2.190 O=CC1=CC2=C(C=C1)CC2 BB31-8398 [1,0,0,1,0,0|1,0,0]=3 192 B13R2.2121 COC1=CC2=C(C=C1)C=C(C)N2 BB32-0430 [0,0,0,1,0,1|1,0,0]=3 193 B13R2.2121 COC1=CC2=C(C=C1)CC(=O)N2 BB31-6945 [0,0,0,1,0,1|1,0,0]=3 194 B13R2.2121 COC1=CC2=C(C=C1)SC(Br)=N2 BB32-1420 [0,0,0,1,0,1|2,0,0]=4 195 B13R2.2121 COC1=CC=C2N=C(N)OC2=C1 BB17-2696 [0,0,0,1,0,1|1,0,1]=4 196 B13R2.2121 COC1=CC=C2OC(S)=NC2=C1 BB52-8667 [0,0,0,1,0,1|1,1,0]=4 197 B13R2.2121 COC1=NC=C2NC(C)=CC2=C1 BB31-8891 [0,0,0,1,0,1|2,0,0]=4 198 B13R2.186 COC1=CC=C(C2(N)CC2)C=C1 BB31-9153 [0,1,0,1,0,0|1,0,1]=4 199 B13R2.2130 COC1=CC2=C(C=C1)C(=O)OC2 BB32-2760 [0,1,0,1,0,0|0,0,0]=2 200 B13R2.2130 COC1=CC2=C(C=C1)C(I)=NN2 BB31-7427 [0,1,0,1,0,0|2,0,0]=4 201 B13R2.2130 COC1=CC2=C(C=C1)C(N)=NN2 BB31-6052 [0,1,0,1,0,0|2,0,0]=4 202 B13R2.2130 COC1=CC2=C(C=C1)C(N)=NO2 BB31-3009 [0,1,0,1,0,0|1,0,1]=4 203 B13R2.2130 COC1=CC2=C(C=C1)C(N)CC2 BB32-1919 [0,1,0,1,0,0|1,0,1]=4 204 B13R2.2130 COC1=CC2=NNC(C)=C2C=C1 BB31-6901 [0,1,0,1,0,0|1,0,0]=3 205 B13R2.2130 O=CC1=CC2=C(C=C1)C(=O)NC2 BB31-4881 [0,1,0,1,0,0|2,0,0]=4 206 B13R2.430 CC(=O)C1=CC2=C(C=C1)NCC2 BB52-1562 [0,1,0,1,0,0|1,0,0]=3 207 B13R2.430 CC(O)C1=CC2=C(C=C1)OCO2 BB32-3577 [0,1,0,1,0,0|0,0,2]=4 208 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCN2 BB31-3047 [0,1,0,1,0,0|2,0,0]=4 209 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCO2 BB32-1072 [0,1,0,1,0,0|2,0,0]=4 210 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)COC2 BB32-2314 [0,1,0,1,0,0|2,0,0]=4 211 B13R2.428 CC(=O)C1=CC=C(C2CC2)C=C1 BB32-3751 [0,1,0,1,0,0|1,0,0]=3 212 B9R1.35 CC(=O)C1=CC=C(Br)O1 BB32-1375 [1,0,0,0,1,0|2,0,0]=4 213 B9R1.35 CC(=O)C1=CN=C(C)S1 BB32-2648 [1,0,0,0,1,0|2,0,0]=4 214 B9R1.35 CC(=O)C1=CNC(C)=C1 BB32-3505 [1,0,0,0,1,0|1,0,0]=3 215 B9R1.35 CC(=O)C1=CSC(Br)=C1 BB32-3092 [1,0,0,0,1,0|2,0,0]=4 216 B9R1.35 CC1=CNC(C(=O)O)=C1 BB31-4952 [1,0,0,0,1,0|2,0,0]=4 217 B11R1.20 CC(=O)NC1=NC=C(I)C=C1 BB32-3681 [1,0,0,0,0,1|2,0,0]=4 218 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 BB32-3859 [1,0,0,0,0,1|2,0,0]=4 219 B11R1.266 CC(=O)C1=CC(C#N)=NC=C1 BB32-2543 [0,0,0,0,1,1|2,0,0]=4 220 B11R1.266 CC(=O)C1=CN=CC(C#N)=C1 BB31-9512 [0,0,0,0,1,1|2,0,0]=4 221 B11R1.266 CC(=O)C1=NC=CC(C#N)=C1 BB32-1631 [0,0,0,0,1,1|2,0,0]=4 222 B11R1.266 CCC1=CC=CC(C(=O)O)=C1 BB32-3000 [0,0,0,0,1,1|2,0,0]=4 223 B11R1.266 CCC1=CC=CC(C(C)=O)=C1 BB31-7616 [0,0,0,0,1,1|1,0,0]=3 224 B11R1.266 CNC1=CC=CC(C(=O)O)=C1 BB31-5735 [0,0,0,0,1,1|2,0,0]=4 225 B11R1.266 COC1=CC(C(C)=O)=NC=C1 BB32-3151 [0,0,0,0,1,1|0,0,0]=2 226 B11R1.266 COC1=CC([C@@H](C)N)=CC=C1 BB31-0479 [0,0,0,0,1,1|1,0,1]=4 227 B11R1.266 COC1=NC=CC(C(=O)O)=C1 BB52-3918 [0,0,0,0,1,1|1,0,0]=3 228 B11R1.266 COC1=NC=CC([C@@H](C)N)=C1 BB32-0147 [0,0,0,0,1,1|1,0,1]=4 229 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 BB32-1274 [0,0,0,0,0,2|1,0,0]=3