0 B9R1.69 CC1=C(Br)C=C(N)C=C1 BB54-0271 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 CC1=C(Cl)N=CC(Br)=C1 BB54-5790 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.69 CC1=C(O)N=CC(Br)=C1 BB54-2170 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.69 CC1=CC(=O)C(O)=CN1 BB26-0805 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.69 CC1=CC(=O)C(O)=CO1 BB26-0385 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.69 CC1=CC=C(N)C(Cl)=N1 BB01-7740 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 CC1=CC=C(N)C(N)=C1 BB56-0557 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.69 CC1=CC=C(N)C(S)=C1 BB17-0861 [0,0,0,0,0,0|2,1,0]=3 8 B9R1.69 CC1=CC=C(O)C(Br)=N1 BB57-4115 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.69 CC1=CC=C(O)C(N)=N1 BB12-2896 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.69 CC1=CN=C(C)C=C1N BB32-1073 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.69 CC1=NC(C)=C(N)C=C1 BB54-2202 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.69 CC1=NC(C)=C(O)C=C1 BB54-5298 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.69 CC1=NC=C(Cl)C(O)=N1 BB57-4302 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.69 ClC1=CN=C(Cl)C(Cl)=C1 BB54-0268 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.69 ClC1=NC=C(I)C=C1I BB56-0643 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.69 NC1=C(Br)C=C(Br)C=N1 BB20-4623 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.69 NC1=C(Br)C=C(Cl)C=C1 BB54-4651 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.69 NC1=CC(Br)=CC=C1O BB54-0054 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.69 NC1=CC(Cl)=C(F)C=C1 BB01-7505 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.69 NC1=CC(Cl)=CC=C1F BB01-7876 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.69 NC1=CC(I)=C(O)C=C1 BB57-4918 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.69 NC1=CC(N)=C(N)C=C1 BB54-2699 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.69 NC1=CC=C(F)C=C1N BB12-3004 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.69 NC1=CC=C(F)C=C1O BB12-2894 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.69 NC1=CC=C(F)C=C1S BB17-0700 [0,0,0,0,0,0|3,1,0]=4 26 B9R1.69 NC1=NC=C(Cl)C=C1Cl BB57-1581 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.69 OC1=CC=C(F)C(Cl)=C1 BB12-4695 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.69 OC1=NC=C(I)C=C1I BB56-0642 [0,0,0,0,0,0|2,0,2]=4 29 B8R1.3 BrC1=CC=C(I)C=N1 BB54-2254 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.3 CC1=CN=C(C)N=C1 BB17-2149 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.3 CC1=CN=C(N)N=C1 BB12-3537 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.3 CC1=CN=C(O)N=C1 BB12-3539 [1,0,0,0,0,0|1,0,2]=4 33 B8R1.3 ClC1=CC=C(Br)C=N1 BB54-2253 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.3 ClC1=CC=C(I)C=N1 BB54-2255 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.3 FC1=CN=C(Cl)C=C1 BB12-1175 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.3 FC1=NC=C(I)C=C1 BB54-5371 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.3 NC1=CN=C(Br)C=C1 BB20-4619 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.3 O=C1C=CC(Cl)=NN1 BB53-1390 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.3 OC1=CC=C(O)N=C1 BB58-0792 [1,0,0,0,0,0|1,0,2]=4 40 B8R1.4 CC1=CC=NC(O)=N1 BB12-3694 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.4 CC1=NC=CC(N)=C1 BB54-4750 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.4 OC1=NC(Cl)=CN=C1 BB57-1435 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.5 CC1=NC=CC=C1O BB17-0195 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.5 ClC1=C(I)C=CC=N1 BB54-2259 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.5 NC1=C(Br)C=CC=N1 BB54-2201 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.5 NC1=C(O)N=CC=C1 BB12-2900 [1,0,0,0,0,0|1,0,2]=4 47 B8R1.5 NC1=CC=CNC1=O BB54-0381 [1,0,0,0,0,0|1,0,0]=2 48 B8R1.5 O=C1NC=CNC1=O BB10-0274 [1,0,0,0,0,0|1,0,1]=3 49 B8R1.5 OC1=C(I)C=CN=C1 BB20-3208 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.5 OC1=CC=CN=C1Br BB12-1811 [1,0,0,0,0,0|1,0,1]=3 51 B10R1.22 CC1=C(O)C=C(O)C=C1O BB54-2165 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.22 CC1=CC(C)=C(N)C(N)=C1 BB57-2918 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.22 CC1=CC(N)=C(N)C(Br)=C1 BB17-2458 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.22 CC1=CC(N)=C(N)C(Cl)=C1 BB17-2762 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.22 CC1=CC(N)=C(O)C(C)=C1 BB57-6513 [0,1,0,0,0,0|2,0,1]=4 56 B10R1.25 CC1=CC=C(NN)C(Br)=C1 BB56-0056 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.25 CC1=CC=C(NN)C(C)=C1 BB56-2530 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.25 NCC1=CC=C(O)C=C1O BB12-1397 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 BB56-1846 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.25 O=CC1=C(Cl)C=C(F)C=C1 BB56-1915 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.25 O=CC1=C(O)C=C(F)C=C1 BB20-3279 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.30 CC1=CC=C(C)C(NN)=C1 BB56-2533 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.30 CC1=CC=C(F)C(NN)=C1 BB56-2743 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.30 CC1=CC=C(O)C(CO)=N1 BB12-2201 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.118 CC1=C(N)C=C(Cl)C(Br)=C1 BB55-4991 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.118 CC1=C(N)C=C(N)C(Br)=C1 BB17-2667 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.118 CC1=CC(=O)C(O)=CN1C BB26-0384 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.118 CC1=CC(N)=C(C)C=C1Br BB55-4984 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.118 CC1=CC(N)=C(C)C=C1I BB17-0382 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.118 CC1=CC(N)=C(N)C=C1Cl BB12-4584 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.118 CC1=CC(N)=C(O)C=C1C BB12-4604 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.118 OC1=CC(F)=C(Br)C=C1Cl BB58-3929 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.118 OC1=CC(F)=C(F)C=C1Br BB12-2290 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.119 CC1=C(C)C(O)=C(N)C=C1 BB55-6938 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.119 CC1=CC=C(N)C(N)=C1C BB12-2656 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.176 CC1=C(Br)C=CC(CN)=C1 BB31-2860 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.176 CCC1=CC(N)=C(O)C=C1 BB55-4801 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.176 CCC1=CC=C(O)C(N)=C1 BB05-4230 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.176 CNC1=CC(C)=C(C)C=C1 BB01-8187 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.176 COC1=CC(N)=C(O)C=C1 BB54-1501 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.176 COC1=CC=C(N)C(F)=C1 BB57-4852 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.176 OCC1=CC(Br)=C(O)C=C1 BB55-8702 [0,1,0,0,0,0|2,0,1]=4 83 B8R1.18 CC1=NN(C)C(O)=C1 BB57-4643 [0,0,0,0,1,0|2,0,1]=4 84 B8R1.50 CC1=NNC(C)=C1Br BB12-3664 [0,0,0,0,1,0|3,0,0]=4 85 B8R1.50 CC1=NNC(C)=C1C BB55-3452 [0,0,0,0,1,0|3,0,0]=4 86 B8R1.50 CC1=NNC(C)=C1Cl BB55-3803 [0,0,0,0,1,0|3,0,0]=4 87 B8R1.50 CC1=NNC(C)=C1I BB55-0003 [0,0,0,0,1,0|3,0,0]=4 88 B8R1.50 CC1=NNC(C)=C1N BB05-1842 [0,0,0,0,1,0|3,0,0]=4 89 B8R1.50 CC1=NNC(C)=C1O BB57-3410 [0,0,0,0,1,0|2,0,0]=3 90 B8R1.50 CC1=NNC(N)=C1Cl BB05-3207 [0,0,0,0,1,0|3,0,0]=4 91 B8R1.50 CC1=NNC(N)=C1N BB54-5723 [0,0,0,0,1,0|3,0,0]=4 92 B8R1.50 CC1=NNC(O)=C1C BB12-3524 [0,0,0,0,1,0|2,0,1]=4 93 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [1,0,1,0,0,0|1,0,1]=4 94 B9R1.1 CC1=CC=C(CCl)C=N1 BB58-3093 [1,1,0,0,0,0|1,0,1]=4 95 B9R1.1 CC1=CC=C(CN)C=N1 BB58-3095 [1,1,0,0,0,0|1,0,1]=4 96 B9R1.1 CC1=CC=C(CO)C=N1 BB58-3092 [1,1,0,0,0,0|1,0,1]=4 97 B9R1.1 CC1=CN=C(C=O)C=C1 BB12-2174 [1,1,0,0,0,0|0,0,1]=3 98 B9R1.1 CC1=CN=C(C=O)C=N1 BB58-1329 [1,1,0,0,0,0|1,0,1]=4 99 B9R1.1 ClCC1=CC=C(Cl)N=C1 BB12-1167 [1,1,0,0,0,0|1,0,1]=4 100 B9R1.1 NCC1=CC=C(Cl)N=C1 BB58-3579 [1,1,0,0,0,0|1,0,1]=4 101 B9R1.1 NCC1=CC=C(N)C=C1 BB54-2061 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.1 NCC1=CC=C(O)C=C1 BB12-1603 [1,1,0,0,0,0|1,0,1]=4 103 B9R1.1 OCC1=CC=C(O)N=C1 BB57-1801 [1,1,0,0,0,0|0,0,2]=4 104 B9R1.1 OCC1=CN=C(Br)C=C1 BB20-4932 [1,1,0,0,0,0|1,0,1]=4 105 B9R1.2 C=CC1=CC(O)=CC=C1 BB58-0330 [1,1,0,0,0,0|1,0,1]=4 106 B9R1.2 CC1=CC(NN)=CC=C1 BB56-2532 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.2 CNC1=CC(C)=CC=C1 BB01-7304 [1,1,0,0,0,0|2,0,0]=4 108 B9R1.2 CNC1=CC(F)=CC=C1 BB01-7291 [1,1,0,0,0,0|2,0,0]=4 109 B9R1.2 N#CC1=CC(O)=CC=C1 BB20-4617 [1,1,0,0,0,0|1,0,1]=4 110 B9R1.2 NCC1=CC=CC(Cl)=C1 BB01-4636 [1,1,0,0,0,0|2,0,0]=4 111 B9R1.2 OCC1=NC(O)=CC=C1 BB57-1045 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.3 CC1=C(N)C(N)=CC=C1 BB12-3003 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.3 CC1=CC=CC(N)=C1O BB55-6937 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.15 COC1=CC=CN=C1C BB17-0165 [1,1,0,0,0,0|1,0,1]=4 115 B9R1.15 O=CC1=C(O)C=CN=C1 BB31-4787 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.15 O=CC1=CC=CNC1=O BB57-4266 [1,1,0,0,0,0|0,0,1]=3 117 B9R1.15 OCC1=CC=CN=C1Cl BB12-3681 [1,1,0,0,0,0|1,0,1]=4 118 B9R1.22 CC1=CC(C=O)=C(C)N1 BB17-1648 [0,1,0,0,1,0|1,0,1]=4 119 B9R1.22 CC1=CC(C=O)=C(C)S1 BB05-1785 [0,1,0,0,1,0|2,0,0]=4 120 B9R1.22 CC1=CC(CO)=C(C)O1 BB55-8893 [0,1,0,0,1,0|2,0,0]=4 121 B9R1.27 CC1=NNC(C)=C1CO BB58-1721 [0,1,0,0,1,0|2,0,0]=4 122 B9R1.132 CC1=CNC(C=O)=C1C BB01-5084 [0,1,0,0,1,0|1,0,0]=3 123 B9R1.132 CC1=NNC(C=O)=C1Br BB12-3454 [0,1,0,0,1,0|2,0,0]=4 124 B11R1.32 CC1=C(C)C(Br)=C(O)C(N)=C1 BB54-4675 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.32 CC1=CC(O)=C(N)C(C)=C1Cl BB17-0383 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.464 CC1=CC(O)=CC(O)=C1C=O BB17-2252 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.37 COC1=CC(Br)=CN=C1C=O BB31-9268 [0,2,0,0,0,0|1,0,1]=4 128 B11R1.166 O=[N+]([O-])C1=C(O)C=C(O)C=C1 BB55-7325 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.277 CC1=CC(O)=C(C=O)C=C1Br BB17-1091 [0,2,0,0,0,0|1,0,0]=3 130 B11R1.277 CN1C=C(C#N)C(=O)NC1=O BB53-1886 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.279 COC1=C(O)C=C(CN)C=C1 BB54-0027 [0,2,0,0,0,0|1,0,1]=4 132 B11R1.167 CC1=NNC(=O)C(C(=O)O)=C1 BB17-0297 [0,2,0,0,0,0|1,0,0]=3 133 B11R1.167 O=C1NC=C(Br)C=C1[N+](=O)[O-] BB01-7749 [0,2,0,0,0,0|1,0,1]=4 134 B11R1.167 O=C1NC=C(I)C=C1[N+](=O)[O-] BB01-7745 [0,2,0,0,0,0|1,0,1]=4 135 B11R1.280 COC1=C(C)C=CC(CO)=C1 BB32-2628 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.280 COC1=C(O)C=CC(CO)=C1 BB17-0749 [0,2,0,0,0,0|1,0,1]=4 137 B11R1.21 CC(=O)C1=CC=C(Br)C(O)=C1 BB01-7488 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.21 CC1=CC([N+](=O)[O-])=CNC1=O BB54-5789 [0,2,0,0,0,0|2,0,0]=4 139 B9R1.11 NNC(=O)C1=CC=CO1 BB01-6372 [0,0,1,1,0,0|1,0,1]=4 140 B9R1.35 CC1=CNC(C(=O)O)=N1 BB12-3671 [0,0,1,1,0,0|2,0,0]=4 141 B7R1.2 CC1=CC=C(N)S1 BB55-4553 [1,0,0,0,1,0|2,0,0]=4 142 B7R1.2 CC1=NNC(N)=C1 BB20-1156 [1,0,0,0,1,0|2,0,0]=4 143 B7R1.2 NC1=CC(=O)NO1 BB54-5766 [1,0,0,0,1,0|2,0,0]=4 144 B7R1.4 CC1=CNN=C1N BB05-4590 [1,0,0,0,1,0|2,0,0]=4 145 B7R1.4 CC1=CNNC1=O BB58-3426 [1,0,0,0,1,0|1,0,1]=4 146 B7R1.4 CC1=NNC=C1N BB05-4962 [1,0,0,0,1,0|2,0,0]=4 147 B7R1.4 CC1=NNC=C1N BB54-0898 [1,0,0,0,1,0|2,0,0]=4