0 B11R1.21 CC(=O)C1=CC(C)=C(C)C=C1 BB55-3428 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 BB12-2899 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.21 CC(=O)C1=CC=C(Br)C(O)=C1 BB01-7488 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 BB54-1921 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.21 CC(N)C1=CC(Cl)=C(Cl)C=C1 BB17-1112 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 BB53-1533 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.21 CC1=C(Br)C=C([N+](=O)[O-])C=C1 BB17-0720 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 BB05-4777 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.21 CC1=CC=C(C(N)=O)C=C1Br BB57-2924 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.21 NC1=C(O)C=C([N+](=O)[O-])C=C1 BB12-1569 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Cl)C=C1 BB54-0005 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.13 CC(C)C1=CN=C(Cl)N=C1 BB57-2410 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.13 CC(C)C1=CN=C(O)N=C1 BB57-2411 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.13 CC(O)C1=CC=C(N)C=C1 BB12-2291 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.13 CC1=CC=C(C(=N)N)C=C1 BB20-3270 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.113 CC(C)C1=CC=NC(N)=N1 BB12-3696 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.113 CC(C)C1=CC=NC(O)=N1 BB12-3691 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.113 CC(C)C1=NC=CC(N)=N1 BB20-0510 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.113 CC(N)C1=CC(Br)=CC=C1 BB53-1527 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 BB55-1702 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.113 CC(N)C1=CC=CC(O)=C1 BB57-2921 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.113 CC1=CC=CC(C(C)N)=C1 BB55-1697 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.113 CC1=CC=CC(C(C)N)=N1 BB31-9154 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 BB12-1260 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.176 CC1=C(Br)C=CC(CN)=C1 BB31-2860 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.176 CC1=C(F)C=C(C=O)C=C1 BB12-2251 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.176 CC1=CC=C(NN)C=C1C BB56-2531 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.176 CC1=CC=C(NN)C=C1Cl BB56-0335 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.176 CCC1=CC(N)=C(O)C=C1 BB55-4801 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.176 CCC1=CC=C(O)C(N)=C1 BB05-4230 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.176 CNC1=CC(C)=C(C)C=C1 BB01-8187 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.176 COC1=CC(N)=C(O)C=C1 BB54-1501 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.176 COC1=CC=C(N)C(F)=C1 BB57-4852 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.176 OCC1=CC(Br)=C(O)C=C1 BB55-8702 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.176 [C-]#[N+]C1=CC=C(C)C(C)=C1 BB56-1194 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.176 [C-]#[N+]C1=CC=C(C)C(Cl)=C1 BB56-1210 [1,0,0,0,0,0|2,0,1]=4 37 B12R1.48 CC1=CC(N(C)C)=CC=C1C=O BB55-3567 [0,1,0,0,0,0|2,0,1]=4 38 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 BB53-1298 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.48 COC1=C(F)C=C(C(C)N)C=C1 BB53-1497 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.48 COC1=C(N)C=C(C(C)=O)C=C1 BB12-0014 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.232 CC1=CC(O)=C(C(C)C)C=C1N BB05-1929 [0,1,0,0,0,0|1,0,0]=2 42 B12R1.232 CC1=CC(O)=C(C(C)C)C=C1N BB54-0103 [0,1,0,0,0,0|1,0,0]=2 43 B12R1.367 CC1=C(C)C=C(C(=O)CCl)C=C1 BB12-1806 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.367 CC1=C(C)C=C(\C(C)=N\O)C=C1 BB05-4768 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.367 CC1=CC=C(C(=O)CBr)C=C1C BB01-6359 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.367 CC1=CC=C(C(N)CO)C=C1C BB56-2162 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 BB05-3120 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.367 COC(=O)C1=CC=C(N)C(O)=C1 BB55-4942 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.1005 CC(C)C1=CC(N)=C(O)C(Br)=C1 BB17-0377 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.58 CC1=CN(C(C)C)N=C1N BB05-4507 [0,0,0,0,1,0|3,0,0]=4 51 B10R1.58 CC1=NN(C(C)C)C=C1Br BB55-7044 [0,0,0,0,1,0|3,0,0]=4 52 B10R1.58 CC1=NN(C(C)C)C=C1Cl BB57-1275 [0,0,0,0,1,0|3,0,0]=4 53 B10R1.58 CC1=NN(C(C)C)C=C1I BB55-7041 [0,0,0,0,1,0|3,0,0]=4 54 B10R1.58 CC1=NN(C(C)C)C=C1N BB05-4002 [0,0,0,0,1,0|3,0,0]=4 55 B10R1.58 CC1=NN(C(C)C)C=C1N BB57-1214 [0,0,0,0,1,0|3,0,0]=4 56 B10R1.194 CC1=C(Br)C(C(C)C)=NN1 BB58-1083 [0,0,0,0,1,0|3,0,0]=4 57 B9R1.1 CC1=CC=C(CCl)C=N1 BB58-3093 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.1 CC1=CC=C(CN)C=N1 BB58-3095 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.1 CC1=CC=C(CO)C=N1 BB58-3092 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.1 NCC1=CC=C(N)C=C1 BB54-2061 [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|2,0,0]=4 62 B9R1.6 CC(N)C1=CC=NC=C1 BB05-0766 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.2 C=CC1=CC(O)=CC=C1 BB58-0330 [2,0,0,0,0,0|0,0,2]=4 64 B9R1.2 CCC1=CC=NC(O)=N1 BB12-3719 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.2 CNC1=CC(C)=CC=C1 BB01-7304 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.2 CNC1=CC(F)=CC=C1 BB01-7291 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.2 N#CC1=CC(O)=CC=C1 BB20-4617 [2,0,0,0,0,0|1,0,1]=4 68 B9R1.2 NCC1=CC=CC(Cl)=C1 BB01-4636 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.2 OCC1=NC(O)=CC=C1 BB57-1045 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.69 CC1=C(Br)C=C(N)C=C1 BB54-0271 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.69 CC1=CC=C(N)C(N)=C1 BB56-0557 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.69 CC1=CC=C(N)C(S)=C1 BB17-0861 [2,0,0,0,0,0|1,1,0]=4 73 B9R1.69 CC1=CN=C(C)C=C1N BB32-1073 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.69 NC1=CC=C(F)C=C1O BB12-2894 [2,0,0,0,0,0|2,0,0]=4 75 B11R1.3 CC(C)C1=CC=C(NN)C=C1 BB56-1861 [1,1,0,0,0,0|1,0,0]=3 76 B11R1.3 CN(C)C1=NC=C(CO)C=C1 BB57-4141 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.3 CNC1=CC=C(N(C)C)C=C1 BB32-2491 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.3 COC1=CC=C(C(C)N)C=C1 BB05-0764 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 BB53-4156 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.22 CC1=CC=C(C(N)C#N)C=C1 BB58-2838 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.22 CC1=CC=C(C(N)CO)C=C1 BB56-2094 [1,1,0,0,0,0|1,0,0]=3 82 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 BB32-1985 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 BB55-1641 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.22 CCN(C)C1=CC=C(N)C=C1 BB32-1137 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.22 CNC(C)C1=CC=C(F)C=C1 BB12-1331 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 BB56-2167 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.22 NC(CO)C1=CC=C(Cl)C=C1 BB56-2226 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.22 NC(CO)C1=CC=C(F)C=C1 BB12-1444 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.22 NCC(O)C1=CC=C(O)C=C1 BB57-6723 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Cl)C=C1 BB56-1668 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 BB55-8755 [1,1,0,0,0,0|1,0,0]=3 92 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 BB05-0996 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.166 CN(C)C1=CC=C(Br)C=C1N BB12-2661 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 BB55-1640 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.23 NCC(=O)C1=CC(O)=CC=C1 BB32-0779 [1,1,0,0,0,0|1,0,1]=4 96 B11R1.23 NCC(O)C1=CC=CC(Br)=C1 BB32-1599 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.23 [C-]#[N+]C(C)C1=CC(Cl)=CC=C1 BB56-1669 [1,1,0,0,0,0|1,0,1]=4 98 B11R1.74 CC(C)C1=NC(O)=CC(=O)N1 BB57-1449 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.74 CC(C)C1=NC(S)=NC(O)=C1 BB53-1328 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.74 CC1=NC(O)=CC(C(C)C)=N1 BB53-1355 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.167 CC(O)C1=C(O)C=CC(Br)=C1 BB53-1844 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.167 CC1=CC=C(C)C(C(C)N)=C1 BB55-1055 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.266 CC(C)C1=NC=CC(CO)=N1 BB58-0536 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.266 COC1=CC(C(C)N)=CC=C1 BB05-0763 [1,1,0,0,0,0|1,0,0]=3 105 B11R1.14 CCC1=CC(N)=C(O)C(Br)=C1 BB17-0378 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.192 CCNC1=CC(C)=C(C)C=C1 BB01-5258 [1,1,0,0,0,0|1,0,0]=3 107 B11R1.192 CCOC1=CC(N)=C(N)C=C1 BB58-0445 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.192 CCOC1=CC=C(N)C(F)=C1 BB57-4850 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.279 COC1=C(O)C=C(CN)C=C1 BB54-0027 [1,1,0,0,0,0|1,0,0]=3 110 B11R1.279 COC1=CC(C)=C(CN)C=C1 BB55-8670 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.279 COC1=CC=C(C#N)C=C1O BB54-1520 [1,1,0,0,0,0|1,0,1]=4 112 B11R1.280 COC1=C(C)C=CC(CO)=C1 BB32-2628 [1,1,0,0,0,0|1,0,0]=3 113 B11R1.280 COC1=C(O)C=CC(CO)=C1 BB17-0749 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.48 CC(C)C1=NN(C)C(CO)=C1 BB05-4209 [0,1,0,0,1,0|2,0,0]=4 115 B13R1.510 CC(N)C(O)C1=CC(O)=C(O)C=C1 BB57-4939 [0,1,0,0,0,1|2,0,0]=4 116 B13R1.144 CCOC1=C(F)C=C(C(C)N)C=C1 BB53-1498 [0,2,0,0,0,0|2,0,0]=4 117 B13R1.3088 CCC(N)C1=CC(C)=C(OC)C=C1 BB58-0613 [0,2,0,0,0,0|2,0,0]=4 118 B13R1.3088 CNC(C)C1=CC(F)=C(OC)C=C1 BB53-1614 [0,2,0,0,0,0|1,0,0]=3 119 B13R1.3088 COC1=C(Cl)C=C(C(N)CO)C=C1 BB56-2222 [0,2,0,0,0,0|2,0,0]=4 120 B13R1.13 CC(=O)C1=CC(C(C)C)=CC=C1C BB17-2377 [0,2,0,0,0,0|0,0,1]=3 121 B13R1.13 CC(C)C1=CC(C(=O)O)=C(O)C=C1 BB17-0621 [0,2,0,0,0,0|1,0,0]=3 122 B13R1.1807 CC1=CC(C)=C(C)C=C1C(N)CO BB56-2232 [0,2,0,0,0,0|2,0,0]=4 123 B11R2.34 NC1=CC=C(C2CC2)C=C1 BB31-8016 [1,0,0,1,0,0|1,0,0]=3 124 B11R2.35 BrC1=CC(C2CO2)=CC=C1 BB31-1898 [1,0,0,1,0,0|2,0,0]=4 125 B11R2.35 FC1=CC(C2CO2)=CC=C1 BB32-0819 [1,0,0,1,0,0|2,0,0]=4 126 B13R2.1057 NC1(C2=CC(F)=C(F)C=C2)CC1 BB32-2342 [0,1,0,1,0,0|2,0,0]=4 127 B13R2.430 CC(N)C1=CC2=C(C=C1)OCO2 BB55-0011 [0,1,0,1,0,0|1,0,0]=3 128 B9R1.35 CC1=NN(C(C)C)C=C1 BB57-1538 [1,0,0,0,1,0|2,0,0]=4 129 B9R1.35 CC1=NNC(C(C)C)=C1 BB12-3662 [1,0,0,0,1,0|2,0,0]=4 130 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 BB12-3713 [1,0,0,0,0,1|1,0,1]=4 131 B11R1.20 CN(C)CC1=CC=C(Br)C=C1 BB58-0485 [1,0,0,0,0,1|2,0,0]=4 132 B11R1.157 CN(C)CC1=CC(S)=CC=C1 BB55-8423 [1,0,0,0,0,1|1,1,0]=4