0 B9R1.15 C=CC1=C(C)C=CC=C1 8079AF [0,0,0,0,0,0|2,0,2]=4 1 B9R1.15 CC1=C(C#N)C=NC=N1 2884AJ [0,0,0,0,0,0|3,0,1]=4 2 B9R1.15 CC1=C(CBr)C=NC=C1 Y7235 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.15 CC1=C(CBr)C=NC=C1 Z4138 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 CC1=C(CN)C=CN=C1 Y4868 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.15 CC1=C(NN)N=CC=N1 0201AB [0,0,0,0,0,0|2,0,0]=2 6 B9R1.15 CC1=CC=CC=C1[Mg]Br X5408 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.15 CC1=CC=CN=C1CBr Y9115 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.15 CC1=CC=CN=C1CO 0931AC [0,0,0,0,0,0|2,0,0]=2 9 B9R1.15 CC1=NC=CC=C1CCl 8680AB [0,0,0,0,0,0|2,0,0]=2 10 B9R1.15 CC1=NC=CC=C1CN 8679AB [0,0,0,0,0,0|2,0,0]=2 11 B9R1.15 CC1=NC=CN=C1CCl 2672AC [0,0,0,0,0,0|1,0,0]=1 12 B9R1.15 CCC1=C(Br)C=CN=C1 0440AA [0,0,0,0,0,0|4,0,0]=4 13 B9R1.15 CCC1=C(Br)C=NC=C1 W9928 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.15 CCC1=CC=CC=C1C Z4941 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.15 CCC1=CC=CN=C1Cl 6759AC [0,0,0,0,0,0|2,0,0]=2 16 B9R1.15 CCC1=CC=CN=C1N 5897AB [0,0,0,0,0,0|2,0,0]=2 17 B9R1.15 CCC1=CC=CNC1=O 9540AB [0,0,0,0,0,0|2,0,1]=3 18 B9R1.15 CCC1=[N+]([O-])C=CC=C1 7886AF [0,0,0,0,0,0|4,0,0]=4 19 B9R1.15 CNC1=CC=CC=C1Br 0544AC [0,0,0,0,0,0|4,0,0]=4 20 B9R1.15 CNC1=CC=CN=C1Cl N415 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.15 CNC1=CC=CN=C1N 8234AB [0,0,0,0,0,0|3,0,0]=3 22 B9R1.15 COC1=C(C)C=NC=C1 V9875 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.15 COC1=C(N)C=NC=N1 Y7650 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.15 COC1=C(O)N=CN=C1 Y4974 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.15 COC1=CN=CN=C1O 1033AC [0,0,0,0,0,0|4,0,0]=4 26 B9R1.15 COC1=NC=CC=C1F Z7565 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.15 COC1=NC=CN=C1Br Z3980 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.15 COC1=NN=CC=C1N V2772 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.15 CSC1=NC=CC=C1Br V6364 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.15 CSC1=NC=CN=C1Cl 0040AP [0,0,0,0,0,0|2,0,0]=2 31 B9R1.15 ClCC1=C(Br)C=CC=C1 8546AB [0,0,0,0,0,0|4,0,0]=4 32 B9R1.15 ClCC1=NC=CC=C1Br V3162 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.15 ClCC1=NC=CN=C1Cl W6373 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.15 N#CC1=C(I)N=CC=C1 V6164 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.15 NC1=C(CCl)C=CC=N1 3369AC [0,0,0,0,0,0|3,0,0]=3 36 B9R1.15 NC1=C(CCl)C=CC=N1 4976AH [0,0,0,0,0,0|3,0,0]=3 37 B9R1.15 NCC1=C(Cl)C=CC=N1 4102AB [0,0,0,0,0,0|3,0,0]=3 38 B9R1.15 NCC1=C(I)C=CC=C1 1744AJ [0,0,0,0,0,0|4,0,0]=4 39 B9R1.15 NCC1=CC=CC=C1N W5201 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.15 NCC1=CC=CN=C1Cl 8496AH [0,0,0,0,0,0|3,0,0]=3 41 B9R1.15 NNC1=C(Cl)N=CC=C1 2782AA [0,0,0,0,0,0|4,0,0]=4 42 B9R1.15 NNC1=NC=CC=C1Br V6518 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.15 NNC1=NC=CC=C1I Z0677 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.15 O=CC1=NC=CC=C1O V2372 [0,0,0,0,0,0|3,0,1]=4 45 B9R1.15 OCC1=C(Br)N=CC=C1 5882AA [0,0,0,0,0,0|3,0,0]=3 46 B9R1.15 OCC1=NC=CC=C1Br W6721 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.2 BrCC1=NC=CN=C1 5266AJ [1,0,0,0,0,0|1,0,0]=2 48 B8R1.2 C=CC1=NC=CN=C1 R581 [1,0,0,0,0,0|0,0,2]=3 49 B8R1.2 CC[N+]1=CC=CC=C1 E438 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.2 CNC1=CN=CN=C1 5460AB [1,0,0,0,0,0|3,0,0]=4 51 B8R1.2 CNC1=NN=CC=N1 4345AJ [1,0,0,0,0,0|2,0,0]=3 52 B8R1.2 COC1=CC=NN=C1 Z5489 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 ClCC1=CN=CC=N1 0741AB [1,0,0,0,0,0|1,0,0]=2 54 B8R1.2 ClCC1=NN=CC=C1 2587AB [1,0,0,0,0,0|3,0,0]=4 55 B8R1.2 NCC1=CC=CC=C1 7149AL [1,0,0,0,0,0|3,0,0]=4 56 B8R1.2 NCC1=CC=NC=N1 Y7101 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.2 NCC1=CC=NN=C1 X9904 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.2 NCC1=CN=NC=C1 0175AP [1,0,0,0,0,0|3,0,0]=4 59 B8R1.2 NCC1=NC=NC=C1 9281AB [1,0,0,0,0,0|3,0,0]=4 60 B8R1.2 NCC1=NN=CC=C1 5795AC [1,0,0,0,0,0|3,0,0]=4 61 B8R1.2 O=CC1=NC=CN=C1 X7048 [1,0,0,0,0,0|1,0,1]=3 62 B8R1.2 OCC1=CC=NC=N1 W5525 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.2 OCC1=CN=NC=C1 7045AB [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 OCC1=NC=CN=C1 W7769 [1,0,0,0,0,0|1,0,0]=2 65 B8R1.2 OCC1=NN=CC=C1 W5830 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.2 SCC1=CC=CN=C1 Z2753 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.5 CC1=C(Cl)N=CN=C1 W6679 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.5 CC1=C(I)C=NC=N1 W9510 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.5 CC1=C(N)N=CC=C1 3663AB [1,0,0,0,0,0|2,0,0]=3 70 B8R1.5 CC1=CC=CC=C1O Z3651 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.5 CC1=CC=NN=C1Cl V2362 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.5 CC1=CC=NN=C1N V8933 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.5 CC1=CN=CN=C1Cl 2777AJ [1,0,0,0,0,0|3,0,0]=4 74 B8R1.5 CC1=NC=CC=C1I 7575AA [1,0,0,0,0,0|2,0,0]=3 75 B8R1.5 CC1=NC=NC=C1N B201 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.5 CC1=NN=CN=C1O 5164AD [1,0,0,0,0,0|2,0,0]=3 77 B8R1.5 ClC1=CC=CN=C1I W8392 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.5 FC1=NC=CN=C1F 4974AE [1,0,0,0,0,0|2,0,0]=3 79 B8R1.5 IC1=C(I)N=CC=C1 0321AF [1,0,0,0,0,0|3,0,0]=4 80 B8R1.5 NC1=CC=CN=C1Br 1627AJ [1,0,0,0,0,0|3,0,0]=4 81 B8R1.5 NC1=CC=CN=C1F 1722AJ [1,0,0,0,0,0|3,0,0]=4 82 B8R1.5 OC1=NC=CN=C1O Y4736 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.2 CCC1=CC=CC(C)=C1C Y4741 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.2 CNC1=CC=CC(Cl)=C1C V5857 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.2 COC1=C(I)C(N)=CC=N1 3211AA [0,1,0,0,0,0|3,0,0]=4 86 B10R1.2 COC1=NC=CC(Br)=C1C 2150AA [0,1,0,0,0,0|2,0,0]=3 87 B10R1.2 COC1=NC=CC(C)=C1N 9447AA [0,1,0,0,0,0|3,0,0]=4 88 B10R1.4 BrCCC1=CC=CC=C1Br Z7172 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.4 CC1=C(CCN)N=CC=C1 3182AC [0,1,0,0,0,0|1,0,0]=2 90 B10R1.4 CC1=CC=CC=C1CNN 4794AE [0,1,0,0,0,0|3,0,0]=4 91 B10R1.4 CCCC1=C(C)C=CC=C1 4903AL [0,1,0,0,0,0|2,0,0]=3 92 B10R1.4 CCCC1=C(N)C=CC=C1 P410 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.4 CCNC1=C(N)C=CC=N1 0189AE [0,1,0,0,0,0|2,0,0]=3 94 B10R1.4 CCOC1=C(Cl)C=CC=N1 9905AL [0,1,0,0,0,0|2,0,0]=3 95 B10R1.4 CCOC1=C(N)N=CC=C1 7078AC [0,1,0,0,0,0|2,0,0]=3 96 B10R1.4 CCOC1=CC=CC=C1N 8719AL [0,1,0,0,0,0|3,0,0]=4 97 B10R1.4 CCOC1=CC=CNC1=O 5869AJ [0,1,0,0,0,0|2,0,1]=4 98 B10R1.4 CCOC1=NC=CC=C1F 3378AC [0,1,0,0,0,0|2,0,0]=3 99 B10R1.4 CNCC1=C(C)C=CC=N1 1508AF [0,1,0,0,0,0|1,0,0]=2 100 B10R1.4 N#CCC1=C(Cl)C=CC=N1 1101AJ [0,1,0,0,0,0|2,0,1]=4 101 B10R1.4 N#CCC1=NC=CC=C1Br 1096AJ [0,1,0,0,0,0|2,0,1]=4 102 B10R1.4 N#CCC1=NC=CC=C1F 1107AJ [0,1,0,0,0,0|2,0,1]=4 103 B10R1.4 N#CCC1=NC=CN=C1Cl X0224 [0,1,0,0,0,0|1,0,1]=3 104 B10R1.4 NCCC1=CC=CC=C1O Z4391 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.20 CCC1=CC=CC=C1NN 6499AD [0,1,0,0,0,0|3,0,0]=4 106 B10R1.20 CNC1=C(C=O)C=CC=N1 0212AE [0,1,0,0,0,0|2,0,1]=4 107 B10R1.20 CNC1=NC=CC=C1OC 2444AL [0,1,0,0,0,0|2,0,0]=3 108 B10R1.20 COC1=C(CN)C=CC=N1 2549AA [0,1,0,0,0,0|2,0,0]=3 109 B10R1.20 COC1=CC=CN=C1CN 8861AB [0,1,0,0,0,0|2,0,0]=3 110 B10R1.20 COC1=CC=CN=C1CO 8653AH [0,1,0,0,0,0|2,0,0]=3 111 B10R1.20 ClCC1=NC=CN=C1CCl 7070AB [0,1,0,0,0,0|1,0,0]=2 112 B10R1.20 N#CC1=C(CO)C=CC=N1 5883AA [0,1,0,0,0,0|2,0,1]=4 113 B10R1.20 N#CC1=CC=CN=C1CCl 3089AC [0,1,0,0,0,0|2,0,1]=4 114 B10R1.20 N#CC1=NC=CC=C1CBr 2766AA [0,1,0,0,0,0|2,0,1]=4 115 B10R1.20 OCC1=C(CBr)C=CC=C1 1625AC [0,1,0,0,0,0|3,0,0]=4 116 B10R1.25 CC1=C(C#N)C=CC(Br)=N1 Z6266 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.25 CC1=C(C#N)C=CC(F)=N1 N166 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.25 CC1=C(C=O)C=CC(N)=N1 3414AJ [0,1,0,0,0,0|2,0,1]=4 119 B10R1.25 CC1=C(CN)C=CC(F)=C1 2721AL [0,1,0,0,0,0|3,0,0]=4 120 B10R1.25 CC1=CC(Br)=CN=C1CN Z0423 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.25 CC1=CC(Br)=CN=C1NN Z8425 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.25 CC1=CC(C)=C(CCl)C=C1 0187AF [0,1,0,0,0,0|3,0,0]=4 123 B10R1.25 CC1=CC(C)=C(CO)C=C1 7829AJ [0,1,0,0,0,0|3,0,0]=4 124 B10R1.25 CC1=CC(C)=C(CO)N=C1 0399AB [0,1,0,0,0,0|2,0,0]=3 125 B10R1.25 CC1=CC(N)=CC=C1CO 6079AJ [0,1,0,0,0,0|3,0,0]=4 126 B10R1.25 CC1=CC(O)=CN=C1C#N 1437AB [0,1,0,0,0,0|2,0,1]=4 127 B10R1.25 CC1=CN=C(C=O)C(C)=C1 Z0771 [0,1,0,0,0,0|2,0,1]=4 128 B10R1.25 CC1=NC(Br)=CC=C1C=O Y4718 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.25 CC1=NC(Cl)=C(C#N)N=C1 9508AA [0,1,0,0,0,0|2,0,1]=4 130 B10R1.25 CC1=NC(F)=CC=C1C=O Z0986 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.25 CC1=NC(N)=NC=C1CO 6607AD [0,1,0,0,0,0|3,0,0]=4 132 B10R1.25 CC1=NC=C(CN)C(C)=N1 4205AB [0,1,0,0,0,0|3,0,0]=4 133 B10R1.25 CCC1=CC=C(Br)C=C1N 3118AJ [0,1,0,0,0,0|3,0,0]=4 134 B10R1.25 CCC1=CC=C(C)C=C1C Y1729 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.25 CCC1=CC=C(C)N=C1N X4575 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.25 CNC1=C(C)C=C(C)C=C1 3570AD [0,1,0,0,0,0|3,0,0]=4 137 B10R1.25 CNC1=C(Cl)C=C(N)C=N1 2678AD [0,1,0,0,0,0|3,0,0]=4 138 B10R1.25 CNC1=NC=C(Br)C=C1N V8817 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.25 COC1=C(Br)N=C(N)C=C1 Y4109 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.25 COC1=C(C)N=C(C)N=C1 6536AA [0,1,0,0,0,0|3,0,0]=4 141 B10R1.25 COC1=C(F)N=C(Br)C=C1 Z0881 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.25 COC1=CC=C(Cl)N=C1Cl Y3831 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.25 COC1=CC=C(F)N=C1C Y3903 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.25 COC1=CC=C(N)C=C1C 0301AD [0,1,0,0,0,0|3,0,0]=4 145 B10R1.25 COC1=CC=C(N)N=C1Cl 4511AC [0,1,0,0,0,0|3,0,0]=4 146 B10R1.25 COC1=CC=C(O)C=C1C Z0198 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.25 COC1=NC=C(Br)C=C1O 3121AJ [0,1,0,0,0,0|3,0,0]=4 148 B10R1.25 COC1=NC=C(C)C=C1I Z8220 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.25 COC1=NC=C(C)C=C1O Z8657 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.25 COC1=NC=C(Cl)C=C1Cl 6237AA [0,1,0,0,0,0|3,0,0]=4 151 B10R1.25 COC1=NC=C(F)C=C1F 9839AC [0,1,0,0,0,0|3,0,0]=4 152 B10R1.25 COC1=NC=C(O)C=C1C Y3854 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.25 COC1=NN=C(Cl)C=C1C X3927 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.25 CSC1=NC=C(Br)C=C1Br Z0015 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.25 CSC1=NC=C(Br)C=C1C Z0037 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.25 N#CC1=NC=C(Cl)N=C1N Y9426 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.25 NC1=NC(Cl)=CN=C1C=O 4744AC [0,1,0,0,0,0|2,0,1]=4 158 B10R1.25 NCC1=NC=C(Cl)C=C1Br V3316 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.25 NCC1=NC=C(F)C=C1F 1234AJ [0,1,0,0,0,0|3,0,0]=4 160 B10R1.25 NCC1=NC=C(F)C=C1F Y4056 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.25 OCC1=C(Cl)C=C(Cl)C=N1 2625AB [0,1,0,0,0,0|3,0,0]=4 162 B10R1.25 OCC1=CC=C(Br)N=C1Cl 4356AA [0,1,0,0,0,0|3,0,0]=4 163 B10R1.25 OCC1=NC=C(Br)C=C1Br 4357AA [0,1,0,0,0,0|3,0,0]=4 164 B10R1.30 CC1=C(C#N)C=C(Br)C=N1 V9630 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.30 CC1=C(C=O)N=C(Cl)C=C1 1066AD [0,1,0,0,0,0|2,0,1]=4 166 B10R1.30 CC1=C(CCl)C=C(F)C=C1 7535AD [0,1,0,0,0,0|3,0,0]=4 167 B10R1.30 CC1=CC=C(C)C(C#N)=N1 0507AC [0,1,0,0,0,0|2,0,1]=4 168 B10R1.30 CC1=CC=C(O)C(CCl)=N1 6881AC [0,1,0,0,0,0|3,0,0]=4 169 B10R1.30 CC1=CC=C(O)C=C1CO Y3987 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.30 CC1=CN=C(C)C(C#N)=N1 1801AB [0,1,0,0,0,0|1,0,1]=3 171 B10R1.30 CC1=CN=C(Cl)C(CO)=C1 Y9301 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.30 CC1=CN=C(N)C(C#N)=N1 9376AA [0,1,0,0,0,0|2,0,1]=4 173 B10R1.30 CCC1=CC(Cl)=NN=C1Cl V2421 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.30 CCN1N=C(Cl)C=CC1=O 3501AJ [0,1,0,0,0,0|3,0,0]=4 175 B10R1.30 CNC1=CC(Cl)=CC=C1C Z7997 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.30 CNC1=NC(Cl)=CC=C1N 4858AC [0,1,0,0,0,0|3,0,0]=4 177 B10R1.30 COC1=C(Br)C=CC(Br)=N1 Y2450 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.30 COC1=C(Br)N=CC(N)=C1 Y3279 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.30 COC1=CC(Br)=CN=C1Br Z7504 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.30 COC1=CC(Br)=CN=C1C 2479AA [0,1,0,0,0,0|2,0,0]=3 181 B10R1.30 COC1=CC(Br)=CN=C1I V9442 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.30 COC1=CC(Br)=CN=C1O Z8058 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.30 COC1=CC(C)=CN=C1Cl Z8217 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.30 COC1=CC(Cl)=CN=C1Cl 1163AD [0,1,0,0,0,0|3,0,0]=4 185 B10R1.30 COC1=CC(Cl)=CN=C1N Z8751 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.30 COC1=NC(Br)=CN=C1Br Y5449 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.30 COC1=NC(Br)=CN=C1O Y5646 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.30 COC1=NC(Cl)=CN=C1N W8970 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.30 CSC1=CC(Br)=CC=C1C Z0186 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.30 ClCC1=NC(Cl)=CC=C1Cl 6146AE [0,1,0,0,0,0|3,0,0]=4 191 B10R1.30 N#CC1=NC(Br)=CN=C1Cl 4853AA [0,1,0,0,0,0|2,0,1]=4 192 B10R1.30 N#CC1=NC(F)=CN=C1F 4463AB [0,1,0,0,0,0|2,0,1]=4 193 B10R1.30 NC1=C(CO)C=C(I)C=N1 6773AE [0,1,0,0,0,0|3,0,0]=4 194 B10R1.30 NC1=NC=C(Cl)N=C1C=O Z5290 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.30 OCC1=C(F)C=CC(Cl)=N1 Y6584 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.30 OCC1=CC(Br)=CN=C1Br Y3885 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.30 OCC1=NC(Br)=CC=C1Cl 2557AD [0,1,0,0,0,0|3,0,0]=4 198 B10R1.61 C=C(C)C1=C(C)C=CC=C1 5671AL [0,1,0,0,0,0|2,0,1]=4 199 B10R1.61 CC(=O)C1=C(N)C=CC=N1 4526AH [0,1,0,0,0,0|2,0,1]=4 200 B10R1.61 CC(=O)C1=NC=CC=C1O Z4085 [0,1,0,0,0,0|2,0,1]=4 201 B10R1.61 CC(=O)C1=NC=CN=C1Cl 3776AA [0,1,0,0,0,0|1,0,1]=3 202 B10R1.61 CC(=O)C1=NC=CN=C1N 3777AA [0,1,0,0,0,0|1,0,1]=3 203 B10R1.61 CC(C)C1=C(Br)C=NC=N1 V9534 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.61 CC(C)C1=C(Cl)N=CN=C1 0417AA [0,1,0,0,0,0|3,0,0]=4 205 B10R1.61 CC(N)C1=C(O)C=CC=C1 5161AJ [0,1,0,0,0,0|3,0,0]=4 206 B10R1.61 CC(O)C1=CC=CN=C1F Z0851 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.61 CC(O)C1=CC=CN=C1N 9393AH [0,1,0,0,0,0|2,0,0]=3 208 B10R1.61 CC(O)C1=NC=CC=C1F N325 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.61 CC1=C(B([O-])O)N=CC=C1 X1814 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.61 CC1=C(C(=N)N)N=CC=C1 2362AJ [0,1,0,0,0,0|2,0,1]=4 211 B10R1.61 CC1=C(C(C)C)C=CC=C1 8715AL [0,1,0,0,0,0|2,0,0]=3 212 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 3317AC [0,1,0,0,0,0|2,0,0]=3 213 B10R1.61 CC1=CC=CC=C1[C@@H](C)O Y1501 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.61 CC1=CC=CC=C1[C@H](C)N W8323 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.61 CC1=CC=CC=C1[C@H](C)O Y1500 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.61 CC1=CC=CN=C1B(O)O V9249 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.61 CC1=CC=CN=C1C(C)N 9674AE [0,1,0,0,0,0|1,0,0]=2 218 B10R1.61 CC1=NC=CN=C1S(C)=O 7966AJ [0,1,0,0,0,0|1,0,0]=2 219 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 1179AL [0,1,0,0,0,0|3,0,0]=4 220 B10R1.61 C[C@H](N)C1=CC=CC=C1Cl W7853 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.61 C[C@H](O)C1=CC=CN=C1N 5914AC [0,1,0,0,0,0|2,0,0]=3 222 B10R1.61 FC(F)C1=C(Br)C=CC=N1 1063AD [0,1,0,0,0,0|3,0,0]=4 223 B10R1.61 FC1=NC=CC=C1C(F)F 4047AD [0,1,0,0,0,0|3,0,0]=4 224 B10R1.245 CC1=CC=CC(Br)=C1CO 1261AA [0,1,0,0,0,0|3,0,0]=4 225 B10R1.245 COC1=C(C)OC=CC1=O 6531AB [0,1,0,0,0,0|3,0,0]=4 226 B10R1.245 OCC1=C(Br)C=CN=C1Cl 9907AL [0,1,0,0,0,0|3,0,0]=4 227 B10R1.245 OCC1=C(I)C=CN=C1Cl 4123AC [0,1,0,0,0,0|3,0,0]=4 228 B10R1.245 OCC1=C(I)C=CN=C1F N382 [0,1,0,0,0,0|3,0,0]=4 229 B10R2.7 C1=CC2=C(C=C1)CSC2 1903AB [0,0,0,1,0,0|3,0,0]=4 230 B10R2.7 C1=CN=C2CCNC2=C1 1360AJ [0,0,0,1,0,0|2,0,0]=3 231 B10R2.7 C1=CN=C2CNCC2=C1 V7126 [0,0,0,1,0,0|2,0,0]=3 232 B10R2.7 C1=CN=C2CNCC2=C1 W3224 [0,0,0,1,0,0|2,0,0]=3 233 B10R2.7 C1=CN=C2CNCC2=N1 6417AJ [0,0,0,1,0,0|1,0,0]=2 234 B10R2.7 C1=CN=C2SC=CC2=N1 W6994 [0,0,0,1,0,0|1,0,2]=4 235 B10R2.7 C1=NC=NC2=C1CNC2 3097AA [0,0,0,1,0,0|3,0,0]=4 236 B10R2.7 C1=NC=NC2=C1CNC2 3376AJ [0,0,0,1,0,0|3,0,0]=4 237 B10R2.7 C1=NC=NC2=C1CNC2 W3417 [0,0,0,1,0,0|3,0,0]=4 238 B8R1.11 CC1=C(C#N)C=CN1 1782AJ [0,0,0,0,1,0|1,0,2]=4 239 B8R1.11 CC1=C(C#N)C=CO1 1402AB [0,0,0,0,1,0|2,0,1]=4 240 B8R1.11 CC1=C(C=O)C=CO1 Y9472 [0,0,0,0,1,0|2,0,1]=4 241 B8R1.11 CC1=C(C=O)C=CS1 3068AC [0,0,0,0,1,0|2,0,1]=4 242 B8R1.11 CC1=C(C=O)N=CS1 2250AB [0,0,0,0,1,0|2,0,1]=4 243 B8R1.11 CC1=C(C=O)OC=C1 Y8751 [0,0,0,0,1,0|2,0,1]=4 244 B8R1.11 CC1=C(C=O)OC=N1 5034AD [0,0,0,0,1,0|2,0,1]=4 245 B8R1.11 CC1=C(CN)C=CO1 8523AH [0,0,0,0,1,0|2,0,0]=3 246 B8R1.11 CC1=C(CN)C=NN1 1085AA [0,0,0,0,1,0|2,0,1]=4 247 B8R1.11 CC1=C(CN)SC=N1 3343AC [0,0,0,0,1,0|2,0,0]=3 248 B8R1.11 CC1=C(CO)OC=C1 6906AD [0,0,0,0,1,0|2,0,0]=3 249 B8R1.11 CC1=C(CO)OC=N1 3918AE [0,0,0,0,1,0|2,0,0]=3 250 B8R1.11 CC1=C(CO)SC=C1 W7564 [0,0,0,0,1,0|2,0,0]=3 251 B8R1.11 CC1=NOC=C1CN 6776AA [0,0,0,0,1,0|2,0,0]=3 252 B8R1.11 CC1=NON=C1CBr 2757AF [0,0,0,0,1,0|2,0,0]=3 253 B8R1.11 CC1=NON=C1CN 0152AE [0,0,0,0,1,0|2,0,0]=3 254 B8R1.11 CC1=NON=C1CN 2596AA [0,0,0,0,1,0|2,0,0]=3 255 B8R1.11 CCC1=NNC=C1I 2420AL [0,0,0,0,1,0|2,0,0]=3 256 B8R1.11 CCN1C=NN=C1S 2716AL [0,0,0,0,1,0|3,0,0]=4 257 B8R1.11 CCN1N=CC=C1Br 5279AA [0,0,0,0,1,0|2,0,0]=3 258 B8R1.11 CCN1N=CC=C1I V2890 [0,0,0,0,1,0|2,0,0]=3 259 B8R1.11 CCN1N=CN=C1Br 7401AE [0,0,0,0,1,0|2,0,0]=3 260 B8R1.11 CCN1N=NN=C1S D293 [0,0,0,0,1,0|3,0,0]=4 261 B8R1.11 CN1C=CC=C1CN Y9856 [0,0,0,0,1,0|3,0,0]=4 262 B8R1.11 CN1C=CC=C1CO 7329AB [0,0,0,0,1,0|3,0,0]=4 263 B8R1.11 CN1C=CN=C1C#N 3919AE [0,0,0,0,1,0|2,0,1]=4 264 B8R1.11 CN1C=CN=C1CN 4586AA [0,0,0,0,1,0|2,0,0]=3 265 B8R1.11 CN1C=NN=C1CCl 3904AD [0,0,0,0,1,0|3,0,0]=4 266 B8R1.11 CN1C=NN=C1CN V3370 [0,0,0,0,1,0|3,0,0]=4 267 B8R1.11 CN1N=CC=C1C#N 7596AE [0,0,0,0,1,0|2,0,1]=4 268 B8R1.11 CN1N=CN=C1CO 5420AC [0,0,0,0,1,0|2,0,0]=3 269 B8R1.11 CNC1=NC=CN1C 1684AA [0,0,0,0,1,0|2,0,0]=3 270 B8R1.11 COC1=NON=C1N 9711AE [0,0,0,0,1,0|3,0,0]=4 271 B8R1.11 CSC1=C(Br)C=CS1 Z0767 [0,0,0,0,1,0|3,0,0]=4 272 B8R1.11 ClCC1=C(Cl)SC=C1 B880 [0,0,0,0,1,0|3,0,0]=4 273 B8R1.11 NC1=C(CO)SC=C1 8607AH [0,0,0,0,1,0|3,0,0]=4 274 B8R1.11 NCC1=C(Br)C=CS1 2035AC [0,0,0,0,1,0|3,0,0]=4 275 B8R1.11 NCC1=C(Br)C=CS1 4220AA [0,0,0,0,1,0|3,0,0]=4 276 B8R1.11 OCC1=C(Cl)N=CS1 0635AA [0,0,0,0,1,0|3,0,0]=4 277 B7R1.3 CC1=CCC=CC1 7751AF [2,0,0,0,0,0|2,0,0]=4 278 B9R1.1 BrCC1=CN=C(Br)C=C1 Y3534 [1,1,0,0,0,0|2,0,0]=4 279 B9R1.1 CC1=CN=C(C#N)C=N1 Y5118 [1,1,0,0,0,0|1,0,1]=4 280 B9R1.1 CC1=CN=C(CCl)C=N1 Y4151 [1,1,0,0,0,0|1,0,0]=3 281 B9R1.1 CC1=CN=C(CN)C=N1 N635 [1,1,0,0,0,0|1,0,0]=3 282 B9R1.1 CC1=NC=C(CCl)C=C1 Y9334 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.1 CC1=NC=C(CCl)C=C1 Z3855 [1,1,0,0,0,0|2,0,0]=4 284 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [1,1,0,0,0,0|2,0,0]=4 285 B9R1.1 CCC1=CC=C(S)C=C1 S243 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.1 CCC1=CN=C(Cl)C=C1 4992AC [1,1,0,0,0,0|1,0,0]=3 287 B9R1.1 CCC1=CN=C(N)C=N1 X9917 [1,1,0,0,0,0|0,0,0]=2 288 B9R1.1 CCC1=CN=C(N)N=C1 W5969 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [1,1,0,0,0,0|1,0,1]=4 290 B9R1.1 CNC1=NC=C(Br)N=C1 3163AJ [1,1,0,0,0,0|1,0,0]=3 291 B9R1.1 COC1=CC=C(C)N=C1 8055AB [1,1,0,0,0,0|2,0,0]=4 292 B9R1.1 COC1=CN=C(Cl)C=N1 Z4604 [1,1,0,0,0,0|1,0,0]=3 293 B9R1.1 COC1=CN=C(I)C=N1 6098AC [1,1,0,0,0,0|1,0,0]=3 294 B9R1.1 CSC1=CN=C(Br)C=C1 Z0124 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.1 CSC1=NC=C(Cl)C=C1 Z1031 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.1 ClC1=NC=C(CBr)C=C1 3738AB [1,1,0,0,0,0|2,0,0]=4 297 B9R1.1 ClCC1=NC=C(Br)C=C1 8626AA [1,1,0,0,0,0|2,0,0]=4 298 B9R1.1 FC1=CN=C(CCl)C=C1 9982AL [1,1,0,0,0,0|2,0,0]=4 299 B9R1.1 NC1=CC=C(CO)C=N1 U962 [1,1,0,0,0,0|2,0,0]=4 300 B9R1.1 NCC1=CN=C(Cl)C=N1 1378AA [1,1,0,0,0,0|1,0,0]=3 301 B9R1.1 NCC1=NC=C(F)C=C1 Y9474 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.1 NNC1=CN=C(Cl)C=N1 3082AB [1,1,0,0,0,0|2,0,0]=4 303 B9R1.1 NNC1=NC=C(Br)N=C1 0093AA [1,1,0,0,0,0|2,0,0]=4 304 B9R1.1 OCC1=NC=C(F)C=C1 3321AB [1,1,0,0,0,0|2,0,0]=4 305 B9R1.2 CC1=CC(CCl)=NC=C1 4926AB [1,1,0,0,0,0|2,0,0]=4 306 B9R1.2 CC1=CC(CCl)=NC=C1 W8059 [1,1,0,0,0,0|2,0,0]=4 307 B9R1.2 CC1=CC(CN)=CN=C1 2036AC [1,1,0,0,0,0|2,0,0]=4 308 B9R1.2 CC1=CC(CN)=NC=C1 Y7378 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.2 CC1=CN=CC(C=O)=N1 2745AA [1,1,0,0,0,0|1,0,1]=4 310 B9R1.2 CC1=CN=CC(CCl)=N1 2673AC [1,1,0,0,0,0|1,0,0]=3 311 B9R1.2 CC1=NC(CN)=CC=C1 6493AA [1,1,0,0,0,0|2,0,0]=4 312 B9R1.2 CCC1=CC(F)=CC=C1 0760AC [1,1,0,0,0,0|2,0,0]=4 313 B9R1.2 CCC1=CC(N)=CC=N1 5543AJ [1,1,0,0,0,0|1,0,0]=3 314 B9R1.2 CCC1=CC(N)=NC=N1 3305AC [1,1,0,0,0,0|2,0,0]=4 315 B9R1.2 CCC1=NC(C)=CC=C1 2156AA [1,1,0,0,0,0|1,0,0]=3 316 B9R1.2 CCC1=NC(Cl)=NC=C1 5511AJ [1,1,0,0,0,0|2,0,0]=4 317 B9R1.2 COC1=CC(C)=CN=C1 2251AC [1,1,0,0,0,0|2,0,0]=4 318 B9R1.2 COC1=CN=CC(I)=C1 1202AF [1,1,0,0,0,0|2,0,0]=4 319 B9R1.2 COC1=CN=CC(N)=C1 2136AJ [1,1,0,0,0,0|2,0,0]=4 320 B9R1.2 COC1=NC(C)=CN=C1 2865AB [1,1,0,0,0,0|1,0,0]=3 321 B9R1.2 CSC1=NC(C)=CN=C1 2879AB [1,1,0,0,0,0|1,0,0]=3 322 B9R1.2 CSC1=NC=CC(Cl)=C1 W5514 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.2 CSC1=NC=CC(N)=C1 6074AJ [1,1,0,0,0,0|2,0,0]=4 324 B9R1.2 ClCC1=CC(I)=CN=C1 1482AF [1,1,0,0,0,0|2,0,0]=4 325 B9R1.2 ClCC1=CC=CC(Cl)=N1 W9938 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.2 ClCC1=CN=CC(Br)=C1 Z8207 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.2 ClCC1=CN=CC(Cl)=C1 2236AJ [1,1,0,0,0,0|2,0,0]=4 328 B9R1.2 NC1=CC(CO)=CN=C1 Z2689 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.2 NC1=CC(CO)=NC=C1 4757AJ [1,1,0,0,0,0|2,0,0]=4 330 B9R1.2 NCC1=CC(Cl)=CN=C1 5679AJ [1,1,0,0,0,0|2,0,0]=4 331 B9R1.2 NCC1=CC=CC(Br)=N1 X7041 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.2 NCC1=NC(Br)=CC=C1 5367AC [1,1,0,0,0,0|2,0,0]=4 333 B9R1.2 NCC1=NC(F)=CC=C1 Y8188 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.2 NCC1=NC(N)=CC=C1 6407AJ [1,1,0,0,0,0|2,0,0]=4 335 B9R1.2 NCC1=NC=CC(Br)=C1 Z3782 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.2 O=CC1=NC(Cl)=CN=C1 3835AC [1,1,0,0,0,0|1,0,1]=4 337 B9R1.2 OCC1=CC(Cl)=CN=C1 V0671 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.2 OCC1=CC(I)=CN=C1 8710AE [1,1,0,0,0,0|2,0,0]=4 339 B9R1.2 OCC1=CN=CC(Br)=N1 3660AA [1,1,0,0,0,0|1,0,0]=3 340 B9R1.2 OCC1=NC(I)=CC=C1 0674AF [1,1,0,0,0,0|2,0,0]=4 341 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.6 CC(Cl)C1=NC=CC=C1 1002AJ [1,1,0,0,0,0|1,0,0]=3 343 B9R1.6 CC(N)C1=CN=CN=C1 9547AH [1,1,0,0,0,0|2,0,0]=4 344 B9R1.6 CN(C)C1=NC=CC=C1 8318AB [1,1,0,0,0,0|2,0,0]=4 345 B9R1.6 CN(N)C1=CN=CC=N1 1013AJ [1,1,0,0,0,0|1,0,0]=3 346 B9R1.6 CN(N)C1=NC=CC=C1 Y9071 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.6 CS(=O)C1=NC=CC=C1 7769AJ [1,1,0,0,0,0|2,0,0]=4 348 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [1,1,0,0,0,0|1,0,0]=3 349 B9R1.6 C[C@H](N)C1=CC=CN=C1 2674AB [1,1,0,0,0,0|1,0,0]=3 350 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [1,1,0,0,0,0|1,0,0]=3 351 B9R1.6 O=C(Cl)C1=NC=CN=C1 Y8139 [1,1,0,0,0,0|1,0,1]=4 352 B9R1.8 BrCCC1=CC=CC=N1 5125AB [1,1,0,0,0,0|1,0,0]=3 353 B9R1.8 CCNC1=NC=CN=C1 Z2415 [1,1,0,0,0,0|0,0,0]=2 354 B9R1.8 CNCC1=CC=CC=C1 3855AD [1,1,0,0,0,0|2,0,0]=4 355 B9R1.8 CNCC1=CC=CC=N1 0916AP [1,1,0,0,0,0|1,0,0]=3 356 B9R1.8 CNCC1=CC=CC=N1 7146AD [1,1,0,0,0,0|1,0,0]=3 357 B9R1.8 CNCC1=CC=NC=N1 6023AD [1,1,0,0,0,0|2,0,0]=4 358 B9R1.8 CNCC1=NC=CC=N1 X8879 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.8 CNCC1=NC=CN=C1 X9439 [1,1,0,0,0,0|0,0,0]=2 360 B9R1.8 ClCCC1=NC=CC=C1 X6257 [1,1,0,0,0,0|1,0,0]=3 361 B9R1.8 NCCC1=CC=CC=C1 5784AL [1,1,0,0,0,0|2,0,0]=4 362 B9R1.8 NCCC1=CN=CC=N1 1878AJ [1,1,0,0,0,0|0,0,0]=2 363 B9R1.8 NCCC1=NC=CC=N1 X3774 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.8 NCCC1=NC=CN=C1 Y9352 [1,1,0,0,0,0|0,0,0]=2 365 B9R1.8 NOCC1=CC=CN=C1 7306AJ [1,1,0,0,0,0|2,0,0]=4 366 B9R1.8 OCCC1=CN=CN=C1 W8980 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.3 CC1=C(C)C(Cl)=NC=N1 6139AJ [1,1,0,0,0,0|2,0,0]=4 368 B9R1.3 CC1=C(C)C(O)=NC=N1 4262AB [1,1,0,0,0,0|2,0,0]=4 369 B9R1.3 CC1=CC=CC(Cl)=C1C 9095AB [1,1,0,0,0,0|2,0,0]=4 370 B9R1.3 CC1=NC=CC(Br)=C1N N209 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.3 CC1=NC=CC(C)=C1O 2563AB [1,1,0,0,0,0|2,0,0]=4 372 B9R1.3 CC1=NC=CC(O)=C1O 2121AL [1,1,0,0,0,0|2,0,0]=4 373 B9R1.69 CC1=C(Br)N=C(Cl)C=C1 3646AC [1,1,0,0,0,0|2,0,0]=4 374 B9R1.69 CC1=C(Br)N=CC(Cl)=N1 4953AA [1,1,0,0,0,0|1,0,0]=3 375 B9R1.69 CC1=C(C)N=C(N)N=C1 0723AD [1,1,0,0,0,0|2,0,0]=4 376 B9R1.69 CC1=C(Cl)C=C(N)C=N1 4848AC [1,1,0,0,0,0|2,0,0]=4 377 B9R1.69 CC1=C(I)C=CC(N)=N1 W8256 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.69 CC1=CC(Br)=C(C)N=C1 5296AH [1,1,0,0,0,0|2,0,0]=4 379 B9R1.69 CC1=CC(Br)=CN=C1I Z0555 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.69 CC1=CC(I)=CN=C1F Z0364 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.69 CC1=CC=C(Br)N=C1Br 4933AH [1,1,0,0,0,0|2,0,0]=4 382 B9R1.69 CC1=CC=C(Cl)N=C1I 3354AD [1,1,0,0,0,0|2,0,0]=4 383 B9R1.69 CC1=CC=C(N)N=C1N 7196AB [1,1,0,0,0,0|2,0,0]=4 384 B9R1.69 CC1=CN=C(C)C(N)=N1 X9791 [1,1,0,0,0,0|1,0,0]=3 385 B9R1.69 CC1=CN=C(O)C(C)=N1 W7279 [1,1,0,0,0,0|1,0,0]=3 386 B9R1.69 CC1=NC(Br)=CN=C1Br 9504AL [1,1,0,0,0,0|1,0,0]=3 387 B9R1.69 CC1=NC(F)=CC=C1O Y3898 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.69 CC1=NC(I)=CC=C1Br 0279AA [1,1,0,0,0,0|2,0,0]=4 389 B9R1.69 CC1=NC=C(Br)N=C1C 2066AA [1,1,0,0,0,0|0,0,0]=2 390 B9R1.69 CC1=NC=C(Cl)C=C1Br Y6602 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.69 CC1=NC=C(Cl)C=C1F Z8272 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.69 NC1=NC(Cl)=CN=C1Cl 7076AA [1,1,0,0,0,0|2,0,0]=4 393 B9R1.69 NC1=NC=C(Br)N=C1N W9205 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.14 CCN1C=CN=C1CN 2283AF [0,1,0,0,1,0|1,0,0]=3 395 B9R1.14 CCN1N=CN=C1C=O 4703AH [0,1,0,0,1,0|1,0,1]=4 396 B9R1.14 CCN1N=CN=C1CO 0978AB [0,1,0,0,1,0|1,0,0]=3 397 B9R1.14 OCC1=C(CO)NC=N1 P509 [0,1,0,0,1,0|1,0,1]=4 398 B9R1.22 CC1=CC(CN)=C(C)O1 Y8624 [0,1,0,0,1,0|2,0,0]=4 399 B9R1.22 CC1=NC(C)=C(CO)O1 7282AD [0,1,0,0,1,0|2,0,0]=4 400 B9R1.22 CC1=NC(CCl)=C(C)O1 Y4075 [0,1,0,0,1,0|2,0,0]=4 401 B9R1.22 CC1=NN(C)C(CBr)=C1 Z2962 [0,1,0,0,1,0|2,0,0]=4 402 B9R1.22 CC1=NN(C)C(CN)=C1 Y5453 [0,1,0,0,1,0|2,0,0]=4 403 B9R1.22 CC1=NN(C)C=C1CN 3406AA [0,1,0,0,1,0|2,0,0]=4 404 B9R1.27 CC1=NNC(C)=C1CN 7253AB [0,1,0,0,1,0|2,0,0]=4 405 B9R1.27 CCC1=C(C)NN=C1C 9257AE [0,1,0,0,1,0|1,0,0]=3 406 B9R1.27 CCN1C(=O)NN=C1C 8752AB [0,1,0,0,1,0|2,0,0]=4 407 B9R1.27 CCN1C(=S)NN=C1C 6878AE [0,1,0,0,1,0|2,0,0]=4 408 B9R1.33 CC1=C(CCCl)SC=N1 9622AJ [0,1,0,0,1,0|1,0,0]=3 409 B9R1.33 CC1=C(CCCl)SC=N1 X5631 [0,1,0,0,1,0|1,0,0]=3 410 B9R1.33 CC1=C(CCN)NC=N1 1677AE [0,1,0,0,1,0|0,0,1]=3 411 B9R1.33 CC1=CC=NN1CCO 3041AE [0,1,0,0,1,0|1,0,0]=3 412 B9R1.33 CC1=NC=CN1CC#N 0247AF [0,1,0,0,1,0|1,0,1]=4 413 B9R1.33 CC1=NC=CN1CCBr 0199AF [0,1,0,0,1,0|1,0,0]=3 414 B9R1.33 CC1=NC=CN1CCO 5173AD [0,1,0,0,1,0|1,0,0]=3 415 B9R1.33 CCCC1=C(C)SC=C1 V3396 [0,1,0,0,1,0|1,0,0]=3 416 B9R1.33 CN1C=CC=C1CCN 1703AL [0,1,0,0,1,0|2,0,0]=4 417 B9R1.33 CN1C=CN=C1CCN X3600 [0,1,0,0,1,0|1,0,0]=3 418 B9R1.33 CN1C=CN=C1CCN Y4448 [0,1,0,0,1,0|1,0,0]=3 419 B9R1.33 CN1N=CC=C1CC#N 8390AC [0,1,0,0,1,0|1,0,1]=4 420 B9R1.33 CNCC1=C(Br)C=CS1 8509AC [0,1,0,0,1,0|2,0,0]=4 421 B9R1.33 CNCC1=C(C)C=CS1 3445AC [0,1,0,0,1,0|1,0,0]=3 422 B9R1.33 CNCC1=CC=CN1C 0547AD [0,1,0,0,1,0|2,0,0]=4 423 B9R1.33 CNCC1=CC=CN1C 8584AD [0,1,0,0,1,0|2,0,0]=4 424 B9R1.33 CNCC1=NC=CN1C 7296AE [0,1,0,0,1,0|1,0,0]=3 425 B9R1.33 CNCC1=NON=C1C 0386AD [0,1,0,0,1,0|1,0,0]=3 426 B9R1.41 CC(=O)C1=C(C)C=CS1 Z5455 [0,1,0,0,1,0|1,0,1]=4 427 B9R1.41 CC(=O)C1=C(C)N=CS1 4928AB [0,1,0,0,1,0|1,0,1]=4 428 B9R1.41 CC(C)C1=NC=CN1C 1354AB [0,1,0,0,1,0|1,0,0]=3 429 B9R1.41 CC(C)N1N=CC=C1N 4366AB [0,1,0,0,1,0|2,0,0]=4 430 B9R1.132 CCC1=NN=C(S)N1C 3720AE [0,1,0,0,1,0|2,0,0]=4 431 B9R1.132 CCC1=NNC(C)=C1Br 8992AE [0,1,0,0,1,0|2,0,0]=4 432 B9R1.132 CCN1N=CC(Br)=C1C 9826AC [0,1,0,0,1,0|1,0,0]=3 433 B9R1.132 CCN1N=CC(N)=C1C 0396AD [0,1,0,0,1,0|1,0,0]=3 434 B9R1.132 CN1C(Br)=CN=C1CO 3457AC [0,1,0,0,1,0|2,0,0]=4 435 B9R1.132 CN1C(Cl)=CN=C1CO 0565AE [0,1,0,0,1,0|2,0,0]=4 436 B11R1.8 CCC1=C(C)C(Cl)=NC(N)=N1 X6029 [0,2,0,0,0,0|2,0,0]=4 437 B11R1.13 CCNC1=C(C)C(C)=CC=C1 2873AE [0,2,0,0,0,0|2,0,0]=4 438 B11R1.13 CCOC1=C(N)C(C)=CC=N1 6176AA [0,2,0,0,0,0|2,0,0]=4 439 B11R1.159 CC1=C(C)C(C(C)Cl)=CC=C1 R085 [0,2,0,0,0,0|2,0,0]=4 440 B11R1.265 COC1=C(Cl)C=CN=C1CO 5498AD [0,2,0,0,0,0|2,0,0]=4 441 B11R1.265 COC1=NC=CC(I)=C1OC Z9046 [0,2,0,0,0,0|2,0,0]=4 442 B11R1.17 CC1=C(NCCO)C=CC=C1 4010AD [0,2,0,0,0,0|2,0,0]=4 443 B11R1.17 CC1=C(OCCCl)C=CC=C1 7182AD [0,2,0,0,0,0|2,0,0]=4 444 B11R1.17 CC1=CC=CC=C1OCCBr 9799AA [0,2,0,0,0,0|2,0,0]=4 445 B11R1.17 CCCCC1=C(C)N=CC=N1 8049AA [0,2,0,0,0,0|0,0,0]=2 446 B11R1.17 CCCNC1=NC=CC=C1N 3687AE [0,2,0,0,0,0|2,0,0]=4 447 B11R1.17 CCCOC1=NC=CC=C1Br V7645 [0,2,0,0,0,0|2,0,0]=4 448 B11R1.17 CCCOC1=NC=CC=C1I W9297 [0,2,0,0,0,0|2,0,0]=4 449 B11R1.17 CCNCC1=NC=CC=C1C 4242AF [0,2,0,0,0,0|1,0,0]=3 450 B11R1.17 NC1=C(OCCO)N=CC=C1 7584AC [0,2,0,0,0,0|2,0,0]=4 451 B11R1.17 NC1=CC=CN=C1NCCO 0651AD [0,2,0,0,0,0|2,0,0]=4 452 B11R1.41 CCNC1=C(OC)C=CC=C1 0860AF [0,2,0,0,0,0|2,0,0]=4 453 B11R1.41 CCOC1=CC=CC=C1CCl 9104AB [0,2,0,0,0,0|2,0,0]=4 454 B11R1.41 CCOC1=CC=CC=C1NC 6851AD [0,2,0,0,0,0|2,0,0]=4 455 B11R1.41 CCOC1=CC=CC=C1OC 1622AL [0,2,0,0,0,0|2,0,0]=4 456 B11R1.41 CCOC1=NC=CC=C1C=O 4245AC [0,2,0,0,0,0|1,0,1]=4 457 B11R1.41 CCOC1=NC=CN=C1CC 4369AB [0,2,0,0,0,0|0,0,0]=2 458 B11R1.41 CNCC1=C(CO)C=CC=C1 5373AJ [0,2,0,0,0,0|2,0,0]=4 459 B11R1.41 COCC1=C(CN)C=CC=C1 1506AF [0,2,0,0,0,0|2,0,0]=4 460 B11R1.81 CCOC1=C(F)C=C(N)C=N1 Z5272 [0,2,0,0,0,0|2,0,0]=4 461 B11R1.81 CCOC1=C(I)C=C(Br)C=N1 0529AF [0,2,0,0,0,0|2,0,0]=4 462 B11R1.81 CCOC1=CC=C(N)C=C1C 0469AD [0,2,0,0,0,0|2,0,0]=4 463 B11R1.81 CCOC1=NC=C(Br)C=C1Br Z0903 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.81 NCCC1=NC=C(Cl)C=C1Cl 1080AJ [0,2,0,0,0,0|2,0,0]=4 465 B11R1.86 CC(=O)CC1=CC=CC=C1C 7072AB [0,2,0,0,0,0|2,0,0]=4 466 B11R1.86 CC(=O)NC1=CC=CN=C1C Y5364 [0,2,0,0,0,0|1,0,1]=4 467 B11R1.86 CC(C)OC1=C(I)C=CC=N1 9447AE [0,2,0,0,0,0|2,0,0]=4 468 B11R1.182 CCOC1=C(Br)N=CC(N)=C1 X8587 [0,2,0,0,0,0|2,0,0]=4 469 B11R1.182 CCOC1=CC(Br)=CC=C1C Z0931 [0,2,0,0,0,0|2,0,0]=4 470 B11R1.182 CCOC1=NC(Cl)=CN=C1N 4921AA [0,2,0,0,0,0|1,0,0]=3 471 B11R1.222 CC1=C(C(O)CN)C=CC=C1 5054AH [0,2,0,0,0,0|2,0,0]=4 472 B11R1.222 CCC(=O)C1=CC=CN=C1Cl 5775AA [0,2,0,0,0,0|2,0,0]=4 473 B11R1.222 CCC(=O)C1=NC=CC=C1C V9138 [0,2,0,0,0,0|1,0,0]=3 474 B11R1.222 CCN(N)C1=C(C)C=CC=C1 4838AL [0,2,0,0,0,0|2,0,0]=4 475 B11R1.222 CC[C@@H](N)C1=CC=CC=C1C W8813 [0,2,0,0,0,0|2,0,0]=4 476 B11R1.222 COC(=O)C1=NC=CN=C1I W3780 [0,2,0,0,0,0|1,0,1]=4 477 B11R1.605 CCOC1=C(C)C=CC=C1N Z9878 [0,2,0,0,0,0|2,0,0]=4 478 B11R1.37 COC1=C(OC)N=C(C)C=C1 0928AF [0,2,0,0,0,0|2,0,0]=4 479 B11R1.37 COC1=C(OC)N=C(N)C=C1 Z9380 [0,2,0,0,0,0|2,0,0]=4 480 B11R1.37 COC1=CC(Br)=CN=C1OC Z0659 [0,2,0,0,0,0|2,0,0]=4 481 B11R1.37 COC1=CC(I)=CN=C1OC Z7486 [0,2,0,0,0,0|2,0,0]=4 482 B11R1.37 COC1=CC(O)=CN=C1OC 0597AD [0,2,0,0,0,0|2,0,0]=4 483 B11R1.37 COC1=NC=C(Br)C=C1CO 1262AE [0,2,0,0,0,0|2,0,0]=4 484 B11R1.53 CC(C)C1=CC=CC=C1CO 0808AB [0,2,0,0,0,0|2,0,0]=4 485 B11R1.53 CCC1=C(B(O)O)C=CC=N1 5697AA [0,2,0,0,0,0|2,0,0]=4 486 B11R1.53 CCC1=NC=CC=C1C(=O)O 4086AB [0,2,0,0,0,0|1,0,1]=4 487 B11R1.53 CN(C)C1=C(CN)C=CC=N1 1429AE [0,2,0,0,0,0|2,0,0]=4 488 B11R1.53 COC1=C([C@@H](C)N)C=CC=C1 0915AC [0,2,0,0,0,0|2,0,0]=4 489 B11R1.53 COC1=CC=CC=C1[C@@H](C)O 2322AA [0,2,0,0,0,0|2,0,0]=4 490 B11R1.53 COC1=CC=CC=C1[C@H](C)O 1624AA [0,2,0,0,0,0|2,0,0]=4 491 B11R1.166 CC(N)C1=NC=C(F)C=C1F 1436AA [0,2,0,0,0,0|2,0,0]=4 492 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 7695AC [0,2,0,0,0,0|2,0,0]=4 493 B11R1.166 CN(C)C1=NC=C(Br)N=C1Br W8724 [0,2,0,0,0,0|2,0,0]=4 494 B11R1.277 CCC1=C(C)N=C(C)C(C)=N1 8990AA [0,2,0,0,0,0|0,0,0]=2 495 B11R1.277 NC1=NC(Cl)=C(Cl)N=C1CO W9722 [0,2,0,0,0,0|2,0,0]=4 496 B11R1.279 COC1=CC=C(CO)C(C)=N1 Z0506 [0,2,0,0,0,0|2,0,0]=4 497 B11R1.279 COC1=NC=C(C=O)C=C1C Y3925 [0,2,0,0,0,0|2,0,0]=4 498 B11R1.464 CCC1=C(C)N=C(N)N=C1Cl 5198AD [0,2,0,0,0,0|2,0,0]=4 499 B11R1.87 CC1=C(C(C)(C)C)C=CC=C1 1688AL [0,2,0,0,0,0|2,0,0]=4 500 B11R1.87 FC1=C(C(F)(F)F)N=CC=N1 0980AD [0,2,0,0,0,0|2,0,0]=4 501 B11R1.156 CC1=CC=CC(C)=C1[C@H](C)N 3805AA [0,2,0,0,0,0|2,0,0]=4 502 B11R1.156 CC1=NC=NC(Cl)=C1C(C)C 2636AC [0,2,0,0,0,0|2,0,0]=4 503 B9R1.21 CCC1=CSC(C=O)=N1 0809AB [0,0,1,1,0,0|2,0,0]=4 504 B9R2.3 C1=NN2CCCC2=C1 1601AA [0,0,0,1,1,0|1,0,0]=3 505 B11R2.106 CC1=C2CCNC2=CC=C1 3110AA [0,1,0,1,0,0|2,0,0]=4 506 B11R2.106 CC1=C2NCCC2=CC=C1 0068AC [0,1,0,1,0,0|2,0,0]=4 507 B11R2.106 CC1=CC=CC2=C1CNC2 Y9957 [0,1,0,1,0,0|2,0,0]=4 508 B11R2.106 ClC1=NC=CC2=C1CCN2 6698AB [0,1,0,1,0,0|2,0,0]=4 509 B11R2.106 NC1=C2CCCC2=NC=C1 Z5126 [0,1,0,1,0,0|1,0,0]=3 510 B11R2.106 NC1=NC=NC2=C1CCC2 8863AD [0,1,0,1,0,0|2,0,0]=4 511 B11R2.106 [O-][N+]1=CC=CC2=C1CCC2 2974AL [0,1,0,1,0,0|1,0,1]=4 512 B11R2.20 C1=CC2=C(CCNC2)N=C1 W8563 [0,1,0,1,0,0|1,0,0]=3 513 B11R2.20 C1=CC2=C(CNCC2)N=C1 Z4098 [0,1,0,1,0,0|1,0,0]=3 514 B11R2.20 C1=CC2=C(N=C1)OCCN2 8778AC [0,1,0,1,0,0|2,0,0]=4 515 B11R2.20 C1=CC2=C(N=C1)OCCO2 P322 [0,1,0,1,0,0|2,0,0]=4 516 B11R2.20 C1=CN=C2CCCOC2=C1 8439AE [0,1,0,1,0,0|1,0,0]=3 517 B11R2.20 C1=CN=C2OCCCC2=C1 2080AJ [0,1,0,1,0,0|1,0,0]=3 518 B11R2.988 NCC1CC2=C1C=CC=C2 7180AC [0,1,0,1,0,0|2,0,0]=4 519 B11R2.1 NC1CCC2=CC=CN=C21 3374AJ [0,1,0,1,0,0|1,0,0]=3 520 B11R2.1 OC1COC2=C1C=CC=N2 7095AA [0,1,0,1,0,0|2,0,0]=4 521 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 C126 [0,1,0,1,0,0|2,0,0]=4 522 B11R2.1 O[C@H]1CCC2=CC=CN=C21 4628AC [0,1,0,1,0,0|1,0,0]=3 523 B11R2.36 ClC1=CC=C2CCCC2=N1 2919AA [0,1,0,1,0,0|1,0,0]=3 524 B11R2.36 FC1=CC2=C(C=C1)CCC2 Z4670 [0,1,0,1,0,0|2,0,0]=4 525 B11R2.36 IC1=CC2=C(C=C1)CCC2 3759AD [0,1,0,1,0,0|2,0,0]=4 526 B11R2.36 NC1=CC2=C(CCC2)N=C1 5954AD [0,1,0,1,0,0|1,0,0]=3 527 B11R2.36 O=C1C=CC2=C(CCC2)N1 V8629 [0,1,0,1,0,0|1,0,1]=4 528 B7R1.1 BrCC1=COC=N1 1429AA [1,0,0,0,1,0|2,0,0]=4 529 B7R1.1 BrCC1=NC=CN1 1423AC [1,0,0,0,1,0|1,0,1]=4 530 B7R1.1 BrCC1=NOC=C1 2020AJ [1,0,0,0,1,0|2,0,0]=4 531 B7R1.1 CCC1=CC=NO1 3273AB [1,0,0,0,1,0|1,0,0]=3 532 B7R1.1 CCC1=CNC=N1 6226AL [1,0,0,0,1,0|0,0,1]=3 533 B7R1.1 CCC1=NNC=C1 6654AA [1,0,0,0,1,0|1,0,0]=3 534 B7R1.1 COC1=CC=CO1 2109AL [1,0,0,0,1,0|2,0,0]=4 535 B7R1.1 CSC1=CNC=N1 X6327 [1,0,0,0,1,0|1,0,1]=4 536 B7R1.1 CSC1=NC=CN1 5294AJ [1,0,0,0,1,0|1,0,1]=4 537 B7R1.1 CSC1=NC=CO1 6777AD [1,0,0,0,1,0|2,0,0]=4 538 B7R1.1 ClCC1=CC=NO1 8534AB [1,0,0,0,1,0|2,0,0]=4 539 B7R1.1 ClCC1=COC=N1 0393AC [1,0,0,0,1,0|2,0,0]=4 540 B7R1.1 ClCC1=NC=CN1 1125AC [1,0,0,0,1,0|1,0,1]=4 541 B7R1.1 ClCC1=NC=CS1 1126AC [1,0,0,0,1,0|2,0,0]=4 542 B7R1.1 ClCC1=NC=CS1 W5535 [1,0,0,0,1,0|2,0,0]=4 543 B7R1.1 NCC1=CC=CN1 W7617 [1,0,0,0,1,0|1,0,1]=4 544 B7R1.1 NCC1=CC=NO1 6076AB [1,0,0,0,1,0|2,0,0]=4 545 B7R1.1 NCC1=CN=CS1 7784AH [1,0,0,0,1,0|2,0,0]=4 546 B7R1.1 NCC1=CNC=C1 4647AC [1,0,0,0,1,0|1,0,1]=4 547 B7R1.1 NCC1=CNC=N1 1263AC [1,0,0,0,1,0|1,0,1]=4 548 B7R1.1 NCC1=CNC=N1 W7724 [1,0,0,0,1,0|1,0,1]=4 549 B7R1.1 NCC1=COC=C1 Y9148 [1,0,0,0,1,0|2,0,0]=4 550 B7R1.1 NCC1=COC=N1 Y1477 [1,0,0,0,1,0|2,0,0]=4 551 B7R1.1 NCC1=CON=C1 8978AA [1,0,0,0,1,0|2,0,0]=4 552 B7R1.1 NCC1=CSC=C1 Z3907 [1,0,0,0,1,0|2,0,0]=4 553 B7R1.1 NCC1=CSC=N1 0159AD [1,0,0,0,1,0|2,0,0]=4 554 B7R1.1 NCC1=CSC=N1 8187AA [1,0,0,0,1,0|2,0,0]=4 555 B7R1.1 NCC1=NC=CO1 0960AA [1,0,0,0,1,0|2,0,0]=4 556 B7R1.1 NCC1=NC=NN1 8323AH [1,0,0,0,1,0|2,0,0]=4 557 B7R1.1 NCC1=NOC=C1 3959AJ [1,0,0,0,1,0|2,0,0]=4 558 B7R1.1 NCC1=NOC=N1 1799AE [1,0,0,0,1,0|2,0,0]=4 559 B7R1.1 OCC1=CNC=N1 W5446 [1,0,0,0,1,0|1,0,1]=4 560 B7R1.1 OCC1=CON=C1 2836AJ [1,0,0,0,1,0|2,0,0]=4 561 B7R1.1 OCC1=NNC=C1 X6393 [1,0,0,0,1,0|2,0,0]=4 562 B7R1.1 OCN1C=CN=C1 9540AF [1,0,0,0,1,0|2,0,0]=4 563 B7R1.4 CC1=C(Br)C=CO1 2185AJ [1,0,0,0,1,0|2,0,0]=4 564 B7R1.4 CC1=C(Br)N=CS1 5945AA [1,0,0,0,1,0|2,0,0]=4 565 B7R1.4 CC1=C(C)OC=N1 X5138 [1,0,0,0,1,0|1,0,0]=3 566 B7R1.4 CC1=CNC=C1C 2295AL [1,0,0,0,1,0|2,0,0]=4 567 B7R1.4 CC1=CON=C1N 9062AA [1,0,0,0,1,0|2,0,0]=4 568 B7R1.4 CC1=NOC=C1N 4428AB [1,0,0,0,1,0|2,0,0]=4 569 B7R1.4 CC1=NSC=C1Br 5743AC [1,0,0,0,1,0|2,0,0]=4 570 B7R1.4 CC1=NSC=C1N 7616AB [1,0,0,0,1,0|2,0,0]=4 571 B7R1.4 CN1C=CN=C1N Z5007 [1,0,0,0,1,0|2,0,0]=4 572 B7R1.4 CN1N=CN=C1Cl 5751AE [1,0,0,0,1,0|2,0,0]=4 573 B7R1.4 CN1N=CN=C1N 7927AA [1,0,0,0,1,0|2,0,0]=4