0 B9R1.6 CC(=O)C1=CC=CN=C1 P44672 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.6 CC(=O)C1=CC=NN=C1 G-6740 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 CC(=O)C1=CN=CN=C1 G-5167 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 CC(=O)C1=NC=CC=N1 G-6326 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.6 CC(=O)C1=NC=NC=C1 O34283 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.6 CC(=O)C1=NN=CC=C1 C-2755 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 CC(N)C1=CC=NC=C1 P37797 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.6 CC(N)C1=CC=NN=C1 G-7533 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.6 CC(N)C1=CC=NN=C1 L13924 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.6 CC(N)C1=CN=CN=C1 G-5168 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.6 CC(N)C1=CN=CN=C1 Q51812 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.6 CC(N)C1=NC=CC=C1 P38151 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.6 CC(O)C1=CN=CN=C1 Q55478 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.6 CS(=O)C1=NC=CC=C1 O34232 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Q53046 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.6 C[C@@H](N)C1=CN=CC=C1 Q54675 [0,0,0,0,0,0|1,0,1]=2 16 B9R1.6 C[C@@H](N)C1=CN=CN=C1 I-9747 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.6 C[C@H](N)C1=CN=CN=C1 Q51933 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.6 N=C(N)C1=NC=CC=C1 O34083 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.6 NC(=O)C1=NC=NC=C1 P51213 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.6 NC(=O)[C@H]1CC=CCC1 P46148 [0,0,0,0,0,0|1,0,3]=4 21 B9R1.6 O=C(O)C1=CC=CN=N1 C-2266 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.6 O=C(O)C1=CC=NC=N1 C-2226 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.6 O=C(O)C1=CC=NN=C1 C-3207 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.6 O=C(O)C1=CN=CC=N1 C-3429 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.6 O=C(O)C1=CN=CN=C1 C-3274 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.6 O=C(O)C1=NC=CC=N1 C-3378 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.6 O=S([O-])C1=CC=CN=C1 O32481 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.6 O=S([O-])C1=CC=NC=C1 Q69553 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.6 O=S([O-])C1=NC=CC=C1 O32707 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.6 OB(O)C1=CN=CN=C1 A-805 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.2 BrCC1=CC=CN=C1 P36550 [1,0,0,0,0,0|1,0,1]=3 32 B8R1.2 BrCC1=CN=CN=C1 Q65336 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.2 C#CC1=CN=CN=C1 M15518 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.2 C#CC1=NC=CN=C1 O31505 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.2 C#CC1=NN=CC=C1 G-5224 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.2 C(=O)C1=CC=NN=C1 C-2212 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.2 C(=O)C1=CN=CC=N1 C-2218 [1,0,0,0,0,0|1,0,0]=2 38 B8R1.2 C(=O)C1=CN=CN=C1 A-903 [1,0,0,0,0,0|1,0,0]=2 39 B8R1.2 C(=O)C1=NC=CC=N1 C-2221 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.2 C(=O)C1=NN=CC=C1 C-2223 [1,0,0,0,0,0|1,0,0]=2 41 B8R1.2 C=CC1=CC=CN=C1 O30687 [1,0,0,0,0,0|1,0,0]=2 42 B8R1.2 CNC1=CN=CN=C1 L13923 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.2 CNC1=NN=CC=C1 O29994 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.2 COC1=CN=CN=C1 M15459 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.2 ClCC1=CC=CN=N1 C-2225 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 ClCC1=CN=CC=N1 C-2219 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.2 ClCC1=CN=CN=C1 C-2216 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.2 ClCC1=NC=CN=C1 L14125 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.2 ICC1=CC=CC=C1 P37031 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.2 N#CC1=CC=NN=C1 G-7534 [1,0,0,0,0,0|1,0,2]=4 51 B8R1.2 N#CC1=CN=CN=C1 C-3273 [1,0,0,0,0,0|1,0,2]=4 52 B8R1.2 N#CC1=NN=CC=C1 F-4404 [1,0,0,0,0,0|1,0,2]=4 53 B8R1.2 NCC1=CC=CN=N1 L21914 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.2 NCC1=CC=NC=C1 O30621 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.2 NCC1=CC=NN=C1 C-3221 [1,0,0,0,0,0|1,0,1]=3 56 B8R1.2 NCC1=CC=NN=C1 C-3221-01 [1,0,0,0,0,0|1,0,1]=3 57 B8R1.2 NCC1=CN=CN=C1 C-3222 [1,0,0,0,0,0|1,0,1]=3 58 B8R1.2 NCC1=CN=CN=C1 L14043 [1,0,0,0,0,0|1,0,1]=3 59 B8R1.2 NCC1=NC=CN=C1 C-3223 [1,0,0,0,0,0|1,0,1]=3 60 B8R1.2 NCC1=NN=CC=C1 C-2473 [1,0,0,0,0,0|1,0,1]=3 61 B8R1.2 NNC1=CC=CN=C1 C-3227 [1,0,0,0,0,0|1,0,0]=2 62 B8R1.2 NNC1=CC=NC=C1 C-3226 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.2 NNC1=CC=NC=C1 L19135 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 NNC1=CC=NC=C1 O31964 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.2 NNC1=CN=CN=C1 Q56320 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.2 NNC1=NC=CN=C1 C-2269 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.2 NNC1=NN=CC=C1 O30576 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.2 OCC1=CC=CN=N1 C-2224 [1,0,0,0,0,0|1,0,2]=4 69 B8R1.2 OCC1=CC=NN=C1 C-2213 [1,0,0,0,0,0|1,0,2]=4 70 B8R1.2 OCC1=CN=CC=N1 C-2217 [1,0,0,0,0,0|1,0,2]=4 71 B8R1.2 OCC1=CN=CN=C1 C-2215 [1,0,0,0,0,0|1,0,2]=4 72 B10R1.13 CC(=O)C1=CC=C(F)N=C1 P35858 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 Q67245 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.13 CC(=O)C1=CN=C(C)C=C1 M15462 [0,1,0,0,0,0|1,0,0]=2 75 B10R1.13 CC(=O)C1=CN=C(C)N=C1 H-8030 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 Q54991 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.13 CC(=O)C1=CN=C(N)C=C1 Q55451 [0,1,0,0,0,0|1,0,0]=2 78 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 O30755 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.13 CC(=O)C1=NC=C(C)C=C1 O31151 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.13 CC(=O)C1=NC=C(C)N=C1 F-4678 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 P34872 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 O30416 [0,1,0,0,0,0|2,0,0]=3 83 B10R1.13 CC(=O)C1=NC=C(F)C=C1 O30491 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 L13130 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.13 CC(=O)C1=NN=C(O)C=C1 P51623 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.13 CC(C)C1=CN=C(N)C=C1 O34069 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 P36954 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.13 CC(O)C1=CC=C(Cl)N=C1 P39514 [0,1,0,0,0,0|1,0,2]=4 89 B10R1.13 CC(O)C1=CN=C(Br)C=C1 N26195 [0,1,0,0,0,0|1,0,2]=4 90 B10R1.13 CC1=CC=C(C(C)O)C=N1 P43130 [0,1,0,0,0,0|1,0,2]=4 91 B10R1.13 CC1=CN=C(C(=O)O)C=N1 G-7280 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.13 CC1=NC=C(B(O)O)C=C1 Q66950 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.13 CC1=NC=C(C(=O)O)C=N1 P44549 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 I-9184 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.13 CC1=NC=C([N+](=O)[O-])C=N1 L13164 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.13 CN(C)C1=CC=C(Br)N=C1 O30431 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.13 C[C@@H](N)C1=CN=C(Cl)N=C1 F-4669 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.13 C[C@@H](O)C1=CC=C(Br)N=C1 Q64116 [0,1,0,0,0,0|1,0,2]=4 99 B10R1.13 C[C@H](O)C1=CC=C(Br)N=C1 Q64115 [0,1,0,0,0,0|1,0,2]=4 100 B10R1.13 N=C(N)C1=CC=C(Br)N=C1 Q52330 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.13 N=C(N)C1=CC=C(N)C=N1 Q58199 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.13 N=C(N)C1=CN=C(F)C=C1 G-5718 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.13 N=C(N)C1=NC=C(Br)C=C1 Q52329 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.13 N=C(N)C1=NC=C(Cl)C=C1 G-5717 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.13 N=C(N)C1=NC=C(F)C=C1 C-2886 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.13 NC(=O)C1=CC=C(Br)N=C1 P35365 [0,1,0,0,0,0|0,0,0]=1 107 B10R1.13 NC(=O)C1=CC=C(F)N=C1 Q58490 [0,1,0,0,0,0|0,0,0]=1 108 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 O30890 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 N24759 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.13 NC(=O)C1=NC=C(N)C=C1 O30308 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.13 NC(=O)C1=NC=C(O)C=C1 P44353 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.13 NC(=O)C1=NN=C(Cl)C=C1 O31863 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.13 NC(=O)C1=NN=C(N)C=C1 G-7026 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.13 NC1=CC=C(B(O)O)C=N1 G-5207 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.13 NC1=CC=C(C(F)F)C=N1 Q62377 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.13 NC1=CN=C(C(=O)O)C=C1 E-3036 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.13 NC1=CN=C(C(=O)O)C=N1 10608 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.13 NC1=NC=C(C(=O)O)C=C1 C-3709 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.13 NC1=NN=C(C(=O)O)C=C1 G-5218 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.13 O=C(Cl)C1=NC=C(Cl)C=C1 N25108 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.13 O=C(O)C1=CC=C(F)N=C1 E-3040 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.13 O=C(O)C1=CC=C(O)N=N1 C-2295 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 Q64836 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 G-5309 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.13 O=C(O)C1=CN=C(O)N=C1 O31007 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 G-6770 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 Q52548 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 B-1219 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.13 O=C(O)C1=NC=C(F)C=C1 P42746 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.13 O=C(O)C1=NC=C(O)C=C1 G-6588 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 L14250 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 B-1753 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.13 O=[N+]([O-])C1=CC=C(Br)N=C1 E-3076 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.13 O=[N+]([O-])C1=CN=C(Cl)N=C1 G-5537 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.13 OB(O)C1=CC=C(O)N=C1 Q68881 [0,1,0,0,0,0|2,0,1]=4 136 B10R1.13 OB(O)C1=CN=C(F)C=C1 P51343 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.15 C#CC(=O)C1=CC=CC=C1 P38531 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.15 C=CC(=O)C1=CC=CC=N1 Q52779 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.15 C=CC(=O)C1=CC=CN=C1 Q52778 [0,1,0,0,0,0|1,0,0]=2 140 B10R1.15 C=CC(=O)C1=CC=NC=C1 Q52777 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.15 CCC(=O)C1=CC=CN=C1 P40926 [0,1,0,0,0,0|1,0,0]=2 142 B10R1.15 CCC(=O)C1=CC=NC=C1 P40626 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.15 CCC(=O)C1=NC=CC=C1 P38825 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.15 CCC(N)C1=CC=CC=C1 P39015 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.15 CCC(N)C1=NC=CN=C1 L13036 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 P40176 [0,1,0,0,0,0|2,0,1]=4 147 B10R1.15 CN[C@H](C)C1=CC=CC=C1 P37197 [0,1,0,0,0,0|2,0,1]=4 148 B10R1.15 COC(=O)C1=CC=CN=N1 C-2267 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.15 COC(=O)C1=CN=CN=C1 G-7535 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.15 N=C(NN)C1=CC=CC=C1 O30004 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.15 NCC(N)C1=CC=CC=C1 P40726 [0,1,0,0,0,0|2,0,1]=4 152 B10R1.15 NCC(O)C1=CC=CN=C1 O32747 [0,1,0,0,0,0|0,0,2]=3 153 B10R1.15 NCC(O)C1=CC=CN=C1 P43089 [0,1,0,0,0,0|0,0,2]=3 154 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 P43243 [0,1,0,0,0,0|1,0,2]=4 155 B10R1.15 NC[C@H](O)C1=CC=CC=C1 P43317 [0,1,0,0,0,0|1,0,2]=4 156 B10R1.15 NNC(=O)C1=NC=NC=C1 O30565 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.15 O=C(CBr)C1=CC=CC=N1 Q58258 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.15 O=C(CBr)C1=CC=CN=C1 Q55443 [0,1,0,0,0,0|1,0,0]=2 159 B10R1.15 O=C(CBr)C1=CN=CN=C1 Q54899 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.15 O=C(CCl)C1=CC=CN=C1 O29841 [0,1,0,0,0,0|1,0,0]=2 161 B10R1.15 O=C(CCl)C1=NC=CN=C1 L19661 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.15 OC(CCl)C1=CC=CN=C1 O32660 [0,1,0,0,0,0|1,0,2]=4 163 B10R1.28 CC(C)(N)C1=CC=CN=C1 S72454 [0,1,0,0,0,0|1,0,1]=3 164 B10R1.28 NP(N)(=O)C1=CC=CC=C1 L19832 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.28 NS(=O)(=O)C1=CC=NC=C1 C-3245 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.28 NS(=O)(=O)C1=NC=CC=C1 C-3246 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.28 O=S(=O)(Cl)C1=CN=CC=C1 C-3244 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 G-7564 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Q54381 [0,1,0,0,0,0|1,0,0]=2 170 B10R1.61 CC(=O)C1=CC=CN=C1Br F-4747 [0,1,0,0,0,0|1,0,0]=2 171 B10R1.61 CC(=O)C1=CC=CN=C1C Q52526 [0,1,0,0,0,0|1,0,0]=2 172 B10R1.61 CC(=O)C1=CC=CN=C1F O30900 [0,1,0,0,0,0|1,0,0]=2 173 B10R1.61 CC(=O)C1=CC=CN=C1N Q52860 [0,1,0,0,0,0|1,0,0]=2 174 B10R1.61 CC(=O)C1=CN=CN=C1C Q58769 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.61 CC(=O)C1=NC=CC=C1Cl G-7206 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.61 CC(=O)C1=NC=CC=C1F O30529 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.61 CC(=O)C1=NC=CC=C1O P41694 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.61 CC(=O)C1=NC=CN=C1Cl G-7946 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.61 CC(C)C1=CC=CN=C1N O33456 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.61 CC(N)C1=CC=CC=C1Br O34378 [0,1,0,0,0,0|2,0,1]=4 181 B10R1.61 CC(N)C1=CC=CC=C1Cl P38305 [0,1,0,0,0,0|2,0,1]=4 182 B10R1.61 CC(N)C1=CC=CC=C1F P36297 [0,1,0,0,0,0|2,0,1]=4 183 B10R1.61 CC(N)C1=CC=CC=C1N P38310 [0,1,0,0,0,0|2,0,1]=4 184 B10R1.61 CC(O)C1=CC=CN=C1Br O30716 [0,1,0,0,0,0|1,0,2]=4 185 B10R1.61 CC(O)C1=CC=CN=C1Cl P41711 [0,1,0,0,0,0|1,0,2]=4 186 B10R1.61 CC(O)C1=CC=CN=C1F N26796 [0,1,0,0,0,0|1,0,2]=4 187 B10R1.61 CC1=C(B(O)O)C=NC=C1 Q66522 [0,1,0,0,0,0|2,0,1]=4 188 B10R1.61 CC1=C(C(=O)O)C=CN=C1 Q56301 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.61 CC1=C(C(=O)O)C=NN=C1 G-5521 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.61 CC1=C(C(=O)O)N=NC=C1 L13035 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 C-3702 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.61 CC1=CC=CC=C1C(C)N P38147 [0,1,0,0,0,0|2,0,1]=4 193 B10R1.61 CC1=CC=NC=C1C(=O)O G-5539 [0,1,0,0,0,0|1,0,0]=2 194 B10R1.61 CC1=NC=CC=C1B(O)O N24577 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.61 CC1=NC=CC=C1B(O)O P43526 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.61 CC1=NC=CC=C1C(=O)O E-3023 [0,1,0,0,0,0|1,0,0]=2 197 B10R1.61 CC1=NC=CC=C1[N+](=O)[O-] C-3336 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.61 CC1=NC=CN=C1C(=O)O G-5660 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.61 C[C@@H](O)C1=CC=CN=C1N Q62533 [0,1,0,0,0,0|1,0,2]=4 200 B10R1.61 C[C@H](N)C1=CC=CC=C1Br P51405 [0,1,0,0,0,0|2,0,1]=4 201 B10R1.61 C[C@H](O)C1=CC=CN=C1N Q62532 [0,1,0,0,0,0|1,0,2]=4 202 B10R1.61 FC(F)C1=C(Br)C=CN=C1 O30102 [0,1,0,0,0,0|2,0,1]=4 203 B10R1.61 FC(F)C1=CC=CN=C1Br O31963 [0,1,0,0,0,0|2,0,1]=4 204 B10R1.61 N=C(N)C1=CC=CC=C1F P51589 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.61 N=C(N)C1=NC=CC=C1F O32719 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.61 N=C(N)C1=NC=CC=C1F O32720 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 N25046 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.61 NC(=O)C1=C(N)C=CN=C1 C-3535 [0,1,0,0,0,0|0,0,0]=1 209 B10R1.61 NC(=O)C1=CC=CN=C1F N25255 [0,1,0,0,0,0|0,0,0]=1 210 B10R1.61 NC(=O)C1=CC=NC=C1N O34515 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.61 NC(=O)C1=CN=CN=C1O O34320 [0,1,0,0,0,0|1,0,0]=2 212 B10R1.61 NC(=O)C1=NC=CC=C1N C-3697 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.61 NC1=C(B(O)O)C=NC=C1 S72547 [0,1,0,0,0,0|2,0,1]=4 214 B10R1.61 NC1=C(B(O)O)C=NC=C1 S72548 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.61 NC1=C(C(=O)O)C=CN=C1 G-6779 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.61 NC1=C(C(=O)O)C=NC=C1 G-5409 [0,1,0,0,0,0|1,0,0]=2 217 B10R1.61 NC1=CC=CN=C1C(=O)O C-3331 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.61 NC1=CC=NC=C1N(=O)=O A-908 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.61 NC1=NC=CC=C1B(O)O Q68886 [0,1,0,0,0,0|2,0,1]=4 220 B10R1.61 NC1=NC=CC=C1[N+](=O)[O-] C-3682 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.61 NC1=NN=CC=C1C(=O)O M15199 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.61 O=C(Cl)C1=CC=CN=C1Br N24418 [0,1,0,0,0,0|1,0,0]=2 223 B10R1.61 O=C(Cl)C1=CC=CN=C1F N25171 [0,1,0,0,0,0|1,0,0]=2 224 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 E-3001 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 G-5495 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.61 O=C(O)C1=C(Br)N=CN=C1 H-8378 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 H-8359 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.61 O=C(O)C1=C(Cl)N=CN=C1 H-8380 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.61 O=C(O)C1=C(F)C=NC=C1 G-7559 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.61 O=C(O)C1=C(I)C=NC=C1 O31943 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.61 O=C(O)C1=CN=CC=C1F O34100 [0,1,0,0,0,0|1,0,0]=2 232 B10R1.61 O=C(O)C1=CN=CNC1=O H-8379 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.61 O=C(O)C1=NC=CC=C1F H-8045 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.61 O=C(O)C1=NC=CC=C1O I-9324 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.61 O=C(O)C1=NC=CN=C1Br S70901 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.61 O=C(O)C1=NC=CN=C1Cl G-5403 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.61 O=C(O)C1=NC=CN=C1I O29988 [0,1,0,0,0,0|2,0,0]=3 238 B10R1.61 O=C(O)C1=NC=CN=C1O C-3727 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.61 O=[N+]([O-])C1=C(I)C=CN=C1 Q52538 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.61 O=[N+]([O-])C1=C([O-])N=CN=C1 Q57199 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.61 O=[N+]([O-])C1=CC=CN=C1Br C-3687 [0,1,0,0,0,0|2,0,0]=3 242 B10R1.61 O=[N+]([O-])C1=CC=CN=C1O G-5324 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.61 OB(O)C1=C(Br)C=CN=C1 N25518 [0,1,0,0,0,0|2,0,1]=4 244 B10R1.61 OB(O)C1=C(Br)C=CN=C1 N26550 [0,1,0,0,0,0|2,0,1]=4 245 B10R1.61 OB(O)C1=C(Br)C=CN=C1 O29115 [0,1,0,0,0,0|2,0,1]=4 246 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 M24062 [0,1,0,0,0,0|2,0,1]=4 247 B10R1.61 OB(O)C1=C(F)C=CN=C1 Q54495 [0,1,0,0,0,0|2,0,1]=4 248 B10R1.61 OB(O)C1=CC=CN=C1Br Q66269 [0,1,0,0,0,0|2,0,1]=4 249 B10R1.113 C=C(C)C1=CC(C)=CC=C1 P42602 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.113 CC(=O)C1=CC(=O)NC=C1 Q62345 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 O32374 [0,1,0,0,0,0|1,0,0]=2 252 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 C-3316 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.113 CC(=O)C1=CC(F)=CN=C1 P43295 [0,1,0,0,0,0|1,0,0]=2 254 B10R1.113 CC(=O)C1=NC=CC(C)=C1 P37184 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 P37163 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.113 CC(C)C1=CN=CC(O)=C1 Q52825 [0,1,0,0,0,0|2,0,1]=4 257 B10R1.113 CC(N)C1=CC(N)=CC=C1 P41777 [0,1,0,0,0,0|2,0,1]=4 258 B10R1.113 CC(N)C1=CC(O)=CC=C1 P36908 [0,1,0,0,0,0|2,0,1]=4 259 B10R1.113 CC(N)C1=CC=CC(Br)=C1 O34417 [0,1,0,0,0,0|2,0,1]=4 260 B10R1.113 CC(N)C1=CC=CC(Br)=C1 P36288 [0,1,0,0,0,0|2,0,1]=4 261 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 P39424 [0,1,0,0,0,0|2,0,1]=4 262 B10R1.113 CC(N)C1=CC=CC(F)=C1 P36296 [0,1,0,0,0,0|2,0,1]=4 263 B10R1.113 CC(N)C1=CN=CC(F)=C1 Q58352 [0,1,0,0,0,0|1,0,1]=3 264 B10R1.113 CC(N)C1=CN=CC(F)=C1 Q58353 [0,1,0,0,0,0|1,0,1]=3 265 B10R1.113 CC1=CC(C(=O)O)=CN=N1 P49779 [0,1,0,0,0,0|2,0,0]=3 266 B10R1.113 CC1=CC(C(=O)O)=NN=C1 L14505 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.113 CC1=CC(C(C)N)=CC=C1 O30538 [0,1,0,0,0,0|2,0,1]=4 268 B10R1.113 CC1=CC(C(C)N)=CC=C1 P36543 [0,1,0,0,0,0|2,0,1]=4 269 B10R1.113 CC1=CN=CC(C(=O)O)=C1 I-9162 [0,1,0,0,0,0|1,0,0]=2 270 B10R1.113 CC1=CN=CC(C(=O)O)=N1 G-6898 [0,1,0,0,0,0|2,0,0]=3 271 B10R1.113 CN(C)C1=CC(Br)=CN=C1 N24376 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 O29507 [0,1,0,0,0,0|1,0,1]=3 273 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 P43499 [0,1,0,0,0,0|1,0,1]=3 274 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 P51333 [0,1,0,0,0,0|2,0,1]=4 275 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 P51219 [0,1,0,0,0,0|1,0,1]=3 276 B10R1.113 N=C(N)C1=CC(N)=CC=N1 Q58426 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.113 N=C(N)C1=CC(N)=CC=N1 Q58427 [0,1,0,0,0,0|3,0,0]=4 278 B10R1.113 N=C(N)C1=CC=CC(N)=N1 Q58197 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 O29660 [0,1,0,0,0,0|0,0,0]=1 280 B10R1.113 NC(=O)C1=CC(F)=CN=C1 P36523 [0,1,0,0,0,0|0,0,0]=1 281 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 P37042 [0,1,0,0,0,0|1,0,0]=2 282 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 O30750 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.113 NC(=O)C1=NC(Cl)=NC=C1 G-6824 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 G-7501 [0,1,0,0,0,0|2,0,0]=3 285 B10R1.113 NC(=S)C1=NC=CC(N)=C1 Q54468 [0,1,0,0,0,0|2,1,0]=4 286 B10R1.113 NC1=CC([N+](=O)[O-])=CN=C1 10638 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.113 NC1=CN=CC(B(O)O)=C1 Q68878 [0,1,0,0,0,0|2,0,1]=4 288 B10R1.113 NC1=CN=CC(C(F)F)=C1 Q57452 [0,1,0,0,0,0|2,0,1]=4 289 B10R1.113 NC1=NC=CC(C(=O)O)=C1 G-6760 [0,1,0,0,0,0|3,0,0]=4 290 B10R1.113 O=C(Cl)C1=CC(Br)=CN=C1 Q66304 [0,1,0,0,0,0|1,0,0]=2 291 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 O30825 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 Q68020 [0,1,0,0,0,0|3,0,0]=4 293 B10R1.113 O=C(O)C1=CC(Cl)=NN=C1 G-7305 [0,1,0,0,0,0|2,0,0]=3 294 B10R1.113 O=C(O)C1=CC(F)=CN=C1 C-3613 [0,1,0,0,0,0|1,0,0]=2 295 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 L13496 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.113 O=C(O)C1=CC=CC(S)=N1 Q58206 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 G-6839 [0,1,0,0,0,0|1,0,0]=2 298 B10R1.113 O=C(O)C1=CN=CC(Cl)=N1 C-2323 [0,1,0,0,0,0|2,0,0]=3 299 B10R1.113 O=C(O)C1=CN=CC(O)=C1 G-7172 [0,1,0,0,0,0|1,0,0]=2 300 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 B-1209 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.113 O=C(O)C1=NC=CC(F)=C1 O30336 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.113 O=C(O)C1=NC=CC(I)=C1 G-6705 [0,1,0,0,0,0|3,0,0]=4 303 B10R1.113 OB(O)C1=CC(Br)=CN=C1 P38023 [0,1,0,0,0,0|2,0,1]=4 304 B10R1.113 OB(O)C1=CC(O)=CN=C1 Q68880 [0,1,0,0,0,0|2,0,1]=4 305 B10R1.113 OB(O)C1=CN=CC(F)=C1 F-4263 [0,1,0,0,0,0|2,0,1]=4 306 B10R2.6 C1=CC=C(C2CN2)C=C1 P41085 [0,0,0,1,0,0|2,0,1]=4 307 B10R2.320 NC1CC2=C1C=CC=C2 L19725 [0,0,0,1,0,0|2,0,1]=4 308 B8R1.7 CC(=O)C1=CNC=N1 P51504 [0,0,0,0,1,0|2,0,0]=3 309 B8R1.7 CC(=O)C1=CNN=C1 H-8406 [0,0,0,0,1,0|2,0,0]=3 310 B8R1.7 CC(=O)C1=NNC=C1 Q62132 [0,0,0,0,1,0|2,0,0]=3 311 B8R1.7 CC(N)C1=CC=NN1 O29815 [0,0,0,0,1,0|2,0,1]=4 312 B8R1.7 CC(N)C1=NC=CS1 P51364 [0,0,0,0,1,0|2,0,1]=4 313 B8R1.7 C[C@@H](N)C1=NC=CS1 P51442 [0,0,0,0,1,0|2,0,1]=4 314 B8R1.7 C[C@H](N)C1=CN=CO1 L19494 [0,0,0,0,1,0|2,0,1]=4 315 B8R1.7 C[C@H](N)C1=NC=CS1 P51443 [0,0,0,0,1,0|2,0,1]=4 316 B8R1.7 N=C(N)C1=NC=CN1 C-2876 [0,0,0,0,1,0|2,0,0]=3 317 B8R1.7 N=C(N)C1=NC=CN1 G-5793 [0,0,0,0,1,0|2,0,0]=3 318 B8R1.7 N=C(N)C1=NC=CN1 L13001 [0,0,0,0,1,0|2,0,0]=3 319 B8R1.7 N=C(N)C1=NC=CS1 G-6701 [0,0,0,0,1,0|2,0,0]=3 320 B8R1.7 NC(=O)C1=CC=CN1 P38018 [0,0,0,0,1,0|0,0,1]=2 321 B8R1.7 NC(=O)C1=CN=CO1 O31664 [0,0,0,0,1,0|1,0,0]=2 322 B8R1.7 NC(=O)C1=CN=CS1 O30585 [0,0,0,0,1,0|1,0,0]=2 323 B8R1.7 NC(=O)C1=CNC=N1 M15544 [0,0,0,0,1,0|1,0,0]=2 324 B8R1.7 NC(=O)C1=COC=N1 O34456 [0,0,0,0,1,0|1,0,0]=2 325 B8R1.7 NC(=S)C1=CC=NN1 O30278 [0,0,0,0,1,0|1,1,0]=3 326 B8R1.7 NC(=S)C1=CN=CO1 O30338 [0,0,0,0,1,0|1,1,0]=3 327 B8R1.7 NC(=S)C1=CN=CS1 O30283 [0,0,0,0,1,0|1,1,0]=3 328 B8R1.7 NC(=S)C1=CNC=N1 O30571 [0,0,0,0,1,0|1,1,0]=3 329 B8R1.7 NC(=S)C1=COC=N1 O31656 [0,0,0,0,1,0|1,1,0]=3 330 B8R1.7 NC(=S)C1=CSC=N1 O30629 [0,0,0,0,1,0|1,1,0]=3 331 B8R1.7 O=C(Cl)C1=NC=CS1 O31126 [0,0,0,0,1,0|2,0,0]=3 332 B8R1.7 O=C(O)C1=CC=NS1 P51141 [0,0,0,0,1,0|2,0,0]=3 333 B8R1.7 O=C(O)C1=CNN=C1 G-5584 [0,0,0,0,1,0|2,0,0]=3 334 B8R1.7 O=C(O)C1=CNN=N1 F-4261 [0,0,0,0,1,0|3,0,0]=4 335 B8R1.7 O=C(O)C1=COC=N1 I-9284 [0,0,0,0,1,0|2,0,0]=3 336 B8R1.7 O=C(O)C1=CSN=C1 L22423 [0,0,0,0,1,0|2,0,0]=3 337 B8R1.7 O=C(O)C1=NC=CO1 F-4564 [0,0,0,0,1,0|2,0,0]=3 338 B8R1.7 O=C(O)C1=NC=NO1 H-8647 [0,0,0,0,1,0|3,0,0]=4 339 B8R1.7 O=C(O)C1=NNC=C1 I-9172 [0,0,0,0,1,0|2,0,0]=3 340 B8R1.7 O=C(O)C1=NSC=C1 O30998 [0,0,0,0,1,0|2,0,0]=3 341 B8R1.7 O=C([O-])C1=NC=CO1 K16120 [0,0,0,0,1,0|2,0,0]=3 342 B8R1.7 O=[N+]([O-])C1=CN=CS1 O31946 [0,0,0,0,1,0|3,0,0]=4 343 B8R1.7 O=[N+]([O-])C1=CSN=C1 P51260 [0,0,0,0,1,0|3,0,0]=4 344 B10R1.18 CC(=O)CC1=CC=CN=C1 P36950 [0,0,0,0,0,1|1,0,0]=2 345 B10R1.18 NC(=S)CC1=CC=NC=C1 Q58253 [0,0,0,0,0,1|2,1,0]=4 346 B10R1.18 O=C(O)CC1=CN=CN=C1 O33591 [0,0,0,0,0,1|2,0,0]=3 347 B10R1.18 O=C(O)CC1=CN=NC=C1 G-5165 [0,0,0,0,0,1|2,0,0]=3 348 B10R1.18 O=C([O-])CC1=CC=NN=C1 L13382 [0,0,0,0,0,1|2,0,0]=3 349 B10R1.18 O=C([O-])CC1=NN=CC=C1 L13418 [0,0,0,0,0,1|2,0,0]=3 350 B7R1.3 BrC1=NC=CN=C1 P37390 [2,0,0,0,0,0|2,0,0]=4 351 B7R1.3 BrC1=NN=CC=C1 P44437 [2,0,0,0,0,0|2,0,0]=4 352 B7R1.3 CC1=CC=CN=N1 G-5190 [2,0,0,0,0,0|1,0,1]=4 353 B7R1.3 CC1=CN=CN=C1 O30773 [2,0,0,0,0,0|1,0,1]=4 354 B7R1.3 CC1=CN=NC=C1 G-5111 [2,0,0,0,0,0|1,0,1]=4 355 B7R1.3 ClC1=NN=CC=C1 C-2294 [2,0,0,0,0,0|2,0,0]=4 356 B7R1.3 IC1=CC=NN=C1 H-8636 [2,0,0,0,0,0|2,0,0]=4 357 B7R1.3 NC1=CC=CN=N1 C-3290 [2,0,0,0,0,0|1,0,0]=3 358 B7R1.3 NC1=CC=NN=C1 C-3725 [2,0,0,0,0,0|1,0,0]=3 359 B7R1.3 NC1=CN=NC=C1 L13627 [2,0,0,0,0,0|1,0,0]=3 360 B7R1.3 O=C1C=CC=NN1 C-2425 [2,0,0,0,0,0|1,0,0]=3 361 B7R1.3 OC1=CC=NN=C1 H-8637 [2,0,0,0,0,0|1,0,1]=4 362 B7R1.3 OC1=CN=CN=C1 I-9410 [2,0,0,0,0,0|1,0,1]=4 363 B7R1.3 OC1=CN=CN=C1 N25469 [2,0,0,0,0,0|1,0,1]=4 364 B7R1.3 SC1=CC=CN=C1 Q62383 [2,0,0,0,0,0|0,1,0]=3 365 B7R1.3 SC1=CN=CN=C1 Q65324 [2,0,0,0,0,0|1,1,0]=4 366 B9R1.1 BrCC1=CN=C(Br)C=C1 M23057 [1,1,0,0,0,0|1,0,1]=4 367 B9R1.1 C#CC1=CN=C(F)C=C1 M22879 [1,1,0,0,0,0|1,0,1]=4 368 B9R1.1 C(=O)C1=CN=C(Cl)C=C1 E-3026 [1,1,0,0,0,0|0,0,0]=2 369 B9R1.1 C(=O)C1=CN=C(Cl)N=C1 C-3437 [1,1,0,0,0,0|1,0,0]=3 370 B9R1.1 C=CC1=CN=C(Br)C=C1 Q62407 [1,1,0,0,0,0|1,0,0]=3 371 B9R1.1 C=CC1=CN=C(C)C=C1 L13585 [1,1,0,0,0,0|1,0,0]=3 372 B9R1.1 C=CC1=CN=C(Cl)N=C1 L14152 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.1 C=CC1=CN=C(F)C=C1 L14939 [1,1,0,0,0,0|1,0,0]=3 374 B9R1.1 C=CC1=CN=C(F)C=C1 O29601 [1,1,0,0,0,0|1,0,0]=3 375 B9R1.1 CC1=CC=C(CN)C=N1 C-3518 [1,1,0,0,0,0|0,0,1]=3 376 B9R1.1 CC1=CC=C(CN)N=N1 C-3426 [1,1,0,0,0,0|1,0,1]=4 377 B9R1.1 CC1=CC=C(CO)C=N1 H-8186 [1,1,0,0,0,0|0,0,2]=4 378 B9R1.1 CC1=CN=C(C=O)C=C1 Q67276 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.1 CC1=CN=C(C=O)C=N1 O30472 [1,1,0,0,0,0|1,0,0]=3 380 B9R1.1 CC1=CN=C(CN)C=N1 L14005 [1,1,0,0,0,0|1,0,1]=4 381 B9R1.1 CC1=NC=C(C=O)C=C1 C-2363 [1,1,0,0,0,0|0,0,0]=2 382 B9R1.1 CC1=NC=C(C=O)C=N1 A-729 [1,1,0,0,0,0|1,0,0]=3 383 B9R1.1 CC1=NC=C(CN)C=N1 C-2844 [1,1,0,0,0,0|1,0,1]=4 384 B9R1.1 CC1=NC=C(CN)N=C1 P50562 [1,1,0,0,0,0|1,0,1]=4 385 B9R1.1 CC1=NN=C(CN)C=C1 I-9402 [1,1,0,0,0,0|1,0,1]=4 386 B9R1.1 CCC1=CC=C(Br)N=C1 Q57112 [1,1,0,0,0,0|1,0,1]=4 387 B9R1.1 CCC1=CC=C(Cl)N=C1 Q57111 [1,1,0,0,0,0|1,0,1]=4 388 B9R1.1 CNC1=CC=C(Br)N=C1 Q65482 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.1 CNC1=CC=C(N)N=C1 Q58290 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.1 CNC1=CC=C(N)N=C1 Q58291 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.1 COC1=CN=C(Br)C=C1 Q67224 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.1 COC1=CN=C(Cl)C=C1 Q67222 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.1 COC1=CN=C(F)C=C1 N24701 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.1 COC1=CN=C(N)C=C1 G-7588 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.1 CSC1=CN=C(Br)C=C1 N24931 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.1 CSC1=CN=C(F)C=C1 N26916 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.1 ClCC1=CN=C(Br)C=C1 O34227 [1,1,0,0,0,0|1,0,1]=4 398 B9R1.1 FC1=NC=C(CBr)C=C1 G-6035 [1,1,0,0,0,0|1,0,1]=4 399 B9R1.1 FC1=NC=C(CCl)C=C1 F-4121 [1,1,0,0,0,0|1,0,1]=4 400 B9R1.1 N#CC1=CC=C(F)N=C1 G-6861 [1,1,0,0,0,0|0,0,2]=4 401 B9R1.1 N#CC1=CN=C(Cl)C=C1 G-6936 [1,1,0,0,0,0|0,0,2]=4 402 B9R1.1 NC1=CC=C(C=O)C=N1 L13611 [1,1,0,0,0,0|0,0,0]=2 403 B9R1.1 NC1=CN=C(C=O)C=N1 P51620 [1,1,0,0,0,0|1,0,0]=3 404 B9R1.1 NC1=NC=C(CO)C=C1 E-3098 [1,1,0,0,0,0|0,0,2]=4 405 B9R1.1 NCC1=CC=C(I)C=C1 P38306 [1,1,0,0,0,0|1,0,1]=4 406 B9R1.1 NCC1=CN=C(Cl)C=C1 C-3459 [1,1,0,0,0,0|0,0,1]=3 407 B9R1.1 NCC1=CN=C(Cl)N=C1 G-6101 [1,1,0,0,0,0|1,0,1]=4 408 B9R1.1 NCC1=CN=C(Cl)N=C1 L13162 [1,1,0,0,0,0|1,0,1]=4 409 B9R1.1 NCC1=CN=C(F)C=C1 L18071 [1,1,0,0,0,0|0,0,1]=3 410 B9R1.1 NCC1=CN=C(N)C=C1 Q62313 [1,1,0,0,0,0|0,0,1]=3 411 B9R1.1 NCC1=CNC(=O)C=C1 G-5535 [1,1,0,0,0,0|0,0,2]=4 412 B9R1.1 NCC1=NC=C(Cl)N=C1 O31596 [1,1,0,0,0,0|1,0,1]=4 413 B9R1.1 NNC1=CC=C(Br)C=C1 P38159 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.1 NNC1=CC=C(F)C=C1 P38478 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.1 NNC1=CC=C(F)N=C1 O32377 [1,1,0,0,0,0|1,0,0]=3 416 B9R1.1 NNC1=CN=C(F)C=C1 Q52569 [1,1,0,0,0,0|1,0,0]=3 417 B9R1.1 NNC1=NC=C(Cl)N=C1 O31600 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.1 O=CC1=CC=C(O)C=N1 P44434 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.1 O=CC1=CN=C(Br)N=C1 Q53659 [1,1,0,0,0,0|1,0,0]=3 420 B9R1.1 O=CC1=CN=C(F)C=C1 P50975 [1,1,0,0,0,0|0,0,0]=2 421 B9R1.1 O=CC1=NC=C(Cl)C=C1 Q67275 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.1 O=CC1=NC=C(Cl)N=C1 I-9606 [1,1,0,0,0,0|1,0,0]=3 423 B9R1.1 O=CC1=NC=C(F)C=C1 O30696 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.1 O=CC1=NN=C(Cl)C=C1 G-7962 [1,1,0,0,0,0|1,0,0]=3 425 B9R1.1 O=CC1=NN=C(O)C=C1 O30370 [1,1,0,0,0,0|1,0,0]=3 426 B9R1.1 OCC1=CC=C(Br)N=C1 O34239 [1,1,0,0,0,0|0,0,2]=4 427 B9R1.1 OCC1=CC=C(F)N=C1 O30867 [1,1,0,0,0,0|0,0,2]=4 428 B9R1.2 C#CC1=CC(C)=CN=C1 O30182 [1,1,0,0,0,0|1,0,1]=4 429 B9R1.2 C#CC1=CN=CC(Br)=C1 O30098 [1,1,0,0,0,0|1,0,1]=4 430 B9R1.2 C#CC1=CN=CC(N)=C1 P36736 [1,1,0,0,0,0|1,0,1]=4 431 B9R1.2 C(=O)C1=CC=CC(Br)=N1 C-3289 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.2 C(=O)C1=CC=NC(Cl)=C1 C-3314 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.2 C=CC1=CN=CC(C)=C1 O31501 [1,1,0,0,0,0|1,0,0]=3 434 B9R1.2 C=CC1=CN=CC(F)=C1 L21838 [1,1,0,0,0,0|1,0,0]=3 435 B9R1.2 CC1=CC(C=O)=NC=C1 O31911 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.2 CC1=CC(CN)=NN=C1 L22164 [1,1,0,0,0,0|1,0,1]=4 437 B9R1.2 CC1=CN=CC(C=O)=C1 M15605 [1,1,0,0,0,0|0,0,0]=2 438 B9R1.2 CC1=CN=CC(CCl)=C1 O33584 [1,1,0,0,0,0|1,0,1]=4 439 B9R1.2 CC1=CN=CC(CO)=C1 I-9425 [1,1,0,0,0,0|0,0,2]=4 440 B9R1.2 CNC1=CC(Br)=CN=C1 P51196 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.2 COC1=CC(C)=CN=C1 N25271 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.2 COC1=CC(N)=CN=C1 Q56314 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.2 COC1=CN=CC(Cl)=C1 S70722 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.2 COC1=CN=CC(N)=C1 G-6107 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.2 COC1=CN=CC(O)=C1 O31805 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.2 CSC1=CN=CC(Br)=C1 Q67547 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.2 CSC1=CN=CC(Cl)=C1 N26275 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.2 CSC1=CN=CC(O)=C1 N26050 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.2 ClC1=CN=CC(CBr)=C1 Q53180 [1,1,0,0,0,0|1,0,1]=4 450 B9R1.2 ClCC1=CC(Cl)=CN=C1 F-4077 [1,1,0,0,0,0|1,0,1]=4 451 B9R1.2 ClCC1=CN=CC(Cl)=C1 Q53715 [1,1,0,0,0,0|1,0,1]=4 452 B9R1.2 FC1=CN=CC(CCl)=C1 C-3497 [1,1,0,0,0,0|1,0,1]=4 453 B9R1.2 N#CC1=CC(F)=CN=C1 O31819 [1,1,0,0,0,0|0,0,2]=4 454 B9R1.2 N#CC1=CC(N)=CN=C1 O31111 [1,1,0,0,0,0|0,0,2]=4 455 B9R1.2 N#CC1=CC(O)=CN=C1 E-3095 [1,1,0,0,0,0|0,0,2]=4 456 B9R1.2 NC1=CC(C=O)=CC=C1 O30581 [1,1,0,0,0,0|1,0,0]=3 457 B9R1.2 NC1=NC(C=O)=CC=C1 Q53329 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.2 NC1=NC=CC(C=O)=C1 G-5572 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.2 NCC1=CC(Br)=CN=C1 O31870 [1,1,0,0,0,0|0,0,1]=3 460 B9R1.2 NCC1=CC(O)=CC=C1 P36367 [1,1,0,0,0,0|1,0,1]=4 461 B9R1.2 NCC1=CC=CC(F)=C1 N26365 [1,1,0,0,0,0|1,0,1]=4 462 B9R1.2 NCC1=CN=CC(F)=C1 C-3498 [1,1,0,0,0,0|0,0,1]=3 463 B9R1.2 NCC1=CN=CC(N)=C1 O29974 [1,1,0,0,0,0|0,0,1]=3 464 B9R1.2 NCC1=CN=CC(N)=C1 O31108 [1,1,0,0,0,0|0,0,1]=3 465 B9R1.2 NCC1=C[N+]([O-])=CC=C1 Q55759 [1,1,0,0,0,0|0,0,2]=4 466 B9R1.2 NNC1=CN=CC(Br)=C1 Q57187 [1,1,0,0,0,0|1,0,0]=3 467 B9R1.2 NNC1=CN=CC(Br)=C1 Q57188 [1,1,0,0,0,0|1,0,0]=3 468 B9R1.2 O=CC1=CC(Cl)=CN=C1 L21834 [1,1,0,0,0,0|0,0,0]=2 469 B9R1.2 O=CC1=CC(F)=CN=C1 C-3502 [1,1,0,0,0,0|0,0,0]=2 470 B9R1.2 O=CC1=CC(F)=NC=C1 Q66309 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.2 O=CC1=CC(O)=CN=C1 O31574 [1,1,0,0,0,0|0,0,0]=2 472 B9R1.2 O=CC1=NC=CC(Cl)=C1 G-5341 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.2 O=CC1=NC=CC(F)=C1 Q56665 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.2 O=CC1=NC=CC(O)=C1 Q53140 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.2 OCC1=CC(Cl)=CN=C1 P39543 [1,1,0,0,0,0|0,0,2]=4 476 B9R1.2 OCC1=CC(F)=CN=C1 C-3496 [1,1,0,0,0,0|0,0,2]=4 477 B9R1.2 OCC1=CN=CC(Br)=C1 P38449 [1,1,0,0,0,0|0,0,2]=4 478 B9R1.8 BrCCC1=CN=CC=C1 Q62363 [1,1,0,0,0,0|1,0,1]=4 479 B9R1.8 CNCC1=CC=CN=C1 P35002 [1,1,0,0,0,0|0,0,1]=3 480 B9R1.8 CNCC1=CN=CN=C1 G-7225 [1,1,0,0,0,0|1,0,1]=4 481 B9R1.8 NNCC1=CC=CC=C1 P43525 [1,1,0,0,0,0|1,0,1]=4 482 B9R1.8 NNCC1=CC=CN=C1 O31533 [1,1,0,0,0,0|0,0,1]=3 483 B9R1.8 NNCC1=CN=CC=C1 C-3254 [1,1,0,0,0,0|0,0,1]=3 484 B9R1.8 NNCC1=CN=CN=C1 C-3759 [1,1,0,0,0,0|1,0,1]=4 485 B9R1.8 NNCC1=NC=CN=C1 G-5311 [1,1,0,0,0,0|1,0,1]=4 486 B9R1.8 O=CCC1=CN=CC=C1 Q60356 [1,1,0,0,0,0|0,0,0]=2 487 B9R1.8 OCCC1=CC=CN=C1 O28068 [1,1,0,0,0,0|0,0,2]=4 488 B9R1.15 BrCC1=CC=CN=C1Br O30364 [1,1,0,0,0,0|1,0,1]=4 489 B9R1.15 C#CC1=CC=CN=C1N O32682 [1,1,0,0,0,0|1,0,1]=4 490 B9R1.15 C(=O)C1=C(O)C=CN=C1 Q57085 [1,1,0,0,0,0|0,0,0]=2 491 B9R1.15 C(=O)C1=CC=CN=C1C C-2892 [1,1,0,0,0,0|0,0,0]=2 492 B9R1.15 C(=O)C1=CC=CN=C1N E-3082 [1,1,0,0,0,0|0,0,0]=2 493 B9R1.15 C(=O)C1=CN=CC=C1C C-2893 [1,1,0,0,0,0|0,0,0]=2 494 B9R1.15 C(=O)C1=CN=CN=C1N Q55481 [1,1,0,0,0,0|1,0,0]=3 495 B9R1.15 C(=O)C1=NC=CN=C1Cl L18467 [1,1,0,0,0,0|1,0,0]=3 496 B9R1.15 C(=O)C1=NC=CN=C1N C-3433 [1,1,0,0,0,0|1,0,0]=3 497 B9R1.15 C=CC1=C(C)N=CC=C1 L14938 [1,1,0,0,0,0|1,0,0]=3 498 B9R1.15 C=CC1=CC=CC=C1N O30540 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.15 C=CC1=CC=CN=C1Br O29963 [1,1,0,0,0,0|1,0,0]=3 500 B9R1.15 CC1=C(C=O)N=CC=C1 G-5812 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.15 CC1=C(CBr)C=CC=N1 L22017 [1,1,0,0,0,0|1,0,1]=4 502 B9R1.15 CC1=C(CN)C=NC=C1 G-7930 [1,1,0,0,0,0|0,0,1]=3 503 B9R1.15 CC1=C(CO)C=NC=C1 G-7931 [1,1,0,0,0,0|0,0,2]=4 504 B9R1.15 CC1=CC=NN=C1CN O32943 [1,1,0,0,0,0|1,0,1]=4 505 B9R1.15 CC1=NC=CC=C1C#N G-5742 [1,1,0,0,0,0|0,0,2]=4 506 B9R1.15 CC1=NC=CC=C1CCl L13040 [1,1,0,0,0,0|1,0,1]=4 507 B9R1.15 CC1=NC=CC=C1CN P37228 [1,1,0,0,0,0|0,0,1]=3 508 B9R1.15 CC1=NC=CC=C1CO 10789 [1,1,0,0,0,0|0,0,2]=4 509 B9R1.15 CC1=NC=CN=C1CN G-7282 [1,1,0,0,0,0|1,0,1]=4 510 B9R1.15 CC1=NC=CN=C1CN Q56446 [1,1,0,0,0,0|1,0,1]=4 511 B9R1.15 CC1=NC=CN=C1NN O31641 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.15 CC1=NC=NC=C1C=O Q60398 [1,1,0,0,0,0|1,0,0]=3 513 B9R1.15 CCC1=C(Br)C=CN=C1 G-5778 [1,1,0,0,0,0|1,0,1]=4 514 B9R1.15 CCC1=C(Br)C=CN=C1 L22190 [1,1,0,0,0,0|1,0,1]=4 515 B9R1.15 CCC1=C(Br)C=CN=C1 Q52444 [1,1,0,0,0,0|1,0,1]=4 516 B9R1.15 CCC1=CC=CN=C1N P38117 [1,1,0,0,0,0|1,0,1]=4 517 B9R1.15 COC1=C(Br)C=CN=C1 H-8447 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.15 COC1=C(Br)C=CN=C1 O30229 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.15 COC1=C(N)C=CN=C1 I-9880 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.15 COC1=CC=CN=C1Br Q70056 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.15 COC1=CC=CN=C1Cl Q67413 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.15 COC1=CC=CN=C1F Q67464 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.15 COC1=CC=CN=C1N Q67917 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.15 CSC1=C(Br)C=CN=C1 N25058 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.15 CSC1=CC=CN=C1Cl N24208 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.15 CSC1=CC=CN=C1F Q67766 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.15 ClCC1=CC=CN=C1Cl G-5569 [1,1,0,0,0,0|1,0,1]=4 528 B9R1.15 FC1=C(CCl)C=CC=N1 Q55014 [1,1,0,0,0,0|1,0,1]=4 529 B9R1.15 FC1=NC=CC=C1CBr P38938 [1,1,0,0,0,0|1,0,1]=4 530 B9R1.15 N#CC1=C(F)C=CN=C1 Q52647 [1,1,0,0,0,0|0,0,2]=4 531 B9R1.15 N#CC1=C(I)C=CN=C1 F-4078 [1,1,0,0,0,0|0,0,2]=4 532 B9R1.15 NC1=C(C=O)C=CN=C1 I-9640 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.15 NC1=C(C=O)C=NC=C1 Q51902 [1,1,0,0,0,0|0,0,0]=2 534 B9R1.15 NC1=C(CO)C=NC=C1 O34460 [1,1,0,0,0,0|0,0,2]=4 535 B9R1.15 NC1=NC=CC=C1CO O32321 [1,1,0,0,0,0|0,0,2]=4 536 B9R1.15 NCC1=C(N)C=CN=C1 Q53195 [1,1,0,0,0,0|0,0,1]=3 537 B9R1.15 NCC1=C(O)C=CN=C1 Q62259 [1,1,0,0,0,0|0,0,1]=3 538 B9R1.15 NCC1=CC=CC=C1Br P38336 [1,1,0,0,0,0|1,0,1]=4 539 B9R1.15 NCC1=CC=CC=C1I P38307 [1,1,0,0,0,0|1,0,1]=4 540 B9R1.15 NCC1=CC=CN=C1Cl G-7575 [1,1,0,0,0,0|0,0,1]=3 541 B9R1.15 NCC1=CC=CN=C1Cl O31037 [1,1,0,0,0,0|0,0,1]=3 542 B9R1.15 NCC1=CC=CN=C1N Q58373 [1,1,0,0,0,0|0,0,1]=3 543 B9R1.15 NCC1=CN=CN=C1N Q58608 [1,1,0,0,0,0|1,0,1]=4 544 B9R1.15 NCC1=NC=CN=C1Cl I-9639 [1,1,0,0,0,0|1,0,1]=4 545 B9R1.15 NCC1=NC=CN=C1Cl M15838 [1,1,0,0,0,0|1,0,1]=4 546 B9R1.15 O=CC1=C(Br)C=CN=C1 L14209 [1,1,0,0,0,0|0,0,0]=2 547 B9R1.15 O=CC1=C(Br)C=CN=C1 L21843 [1,1,0,0,0,0|0,0,0]=2 548 B9R1.15 O=CC1=C(Br)C=CN=C1 N24911 [1,1,0,0,0,0|0,0,0]=2 549 B9R1.15 O=CC1=C(Br)C=NC=C1 Q66929 [1,1,0,0,0,0|2,0,0]=4 550 B9R1.15 O=CC1=C(Br)C=NC=C1 Q67986 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.15 O=CC1=C(Cl)C=CN=C1 G-7008 [1,1,0,0,0,0|0,0,0]=2 552 B9R1.15 O=CC1=C(Cl)C=CN=C1 N24210 [1,1,0,0,0,0|0,0,0]=2 553 B9R1.15 O=CC1=C(Cl)C=NC=C1 N27329 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.15 O=CC1=C(Cl)N=CN=C1 Q53710 [1,1,0,0,0,0|1,0,0]=3 555 B9R1.15 O=CC1=C(F)C=CN=C1 Q56666 [1,1,0,0,0,0|0,0,0]=2 556 B9R1.15 O=CC1=C(I)C=CC=C1 G-5775 [1,1,0,0,0,0|1,0,0]=3 557 B9R1.15 O=CC1=NC=CC=C1Br O31907 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.15 O=CC1=NC=CC=C1Cl O31967 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.15 O=CC1=NC=CC=C1F Q66589 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.15 O=CC1=NC=CC=C1O L22205 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.15 OCC1=C(Br)C=CN=C1 N25303 [1,1,0,0,0,0|0,0,2]=4 562 B9R1.15 OCC1=C(Br)C=CN=C1 N25521 [1,1,0,0,0,0|0,0,2]=4 563 B9R1.15 OCC1=C(Br)C=CN=C1 N25828 [1,1,0,0,0,0|0,0,2]=4 564 B9R1.15 OCC1=C(Cl)C=CN=C1 O31919 [1,1,0,0,0,0|0,0,2]=4 565 B9R1.15 OCC1=C(F)C=CN=C1 L14446 [1,1,0,0,0,0|0,0,2]=4 566 B9R1.15 OCC1=C(F)C=CN=C1 Q55508 [1,1,0,0,0,0|0,0,2]=4 567 B9R1.15 OCC1=CC=CN=C1Br P41707 [1,1,0,0,0,0|0,0,2]=4 568 B9R1.15 OCC1=CC=CN=C1Cl C-3458 [1,1,0,0,0,0|0,0,2]=4 569 B9R1.15 OCC1=CC=CN=C1F Q67775 [1,1,0,0,0,0|0,0,2]=4 570 B9R1.11 CNC(=O)C1=CNN=C1 L21508 [0,1,0,0,1,0|1,0,0]=3 571 B9R1.11 CNC(=O)N1C=CN=C1 F-4391 [0,1,0,0,1,0|1,0,0]=3 572 B9R1.11 COC(=O)C1=CC=CN1 G-7797 [0,1,0,0,1,0|1,0,1]=4 573 B9R1.11 COC(=O)C1=CN=CO1 O30359 [0,1,0,0,1,0|2,0,0]=4 574 B9R1.11 COC(=O)C1=CN=CS1 P48087 [0,1,0,0,1,0|2,0,0]=4 575 B9R1.11 COC(=O)C1=CNN=C1 G-7338 [0,1,0,0,1,0|2,0,0]=4 576 B9R1.11 COC(=O)C1=NC=CN1 G-6057 [0,1,0,0,1,0|2,0,0]=4 577 B9R1.11 COC(=O)C1=NC=CS1 P37422 [0,1,0,0,1,0|2,0,0]=4 578 B9R1.11 COC(=O)C1=NNC=C1 P40994 [0,1,0,0,1,0|2,0,0]=4 579 B9R1.11 NNC(=O)C1=CN=CO1 P43186 [0,1,0,0,1,0|1,0,0]=3 580 B9R1.11 NNC(=O)C1=CN=CS1 O30333 [0,1,0,0,1,0|1,0,0]=3 581 B9R1.11 NNC(=O)C1=COC=N1 O30605 [0,1,0,0,1,0|1,0,0]=3 582 B9R1.11 NNC(=O)C1=CSC=N1 O31923 [0,1,0,0,1,0|1,0,0]=3 583 B9R1.11 NNC(=O)C1=NC=CS1 O31112 [0,1,0,0,1,0|1,0,0]=3 584 B9R1.11 O=C(CBr)C1=CC=CS1 P43533 [0,1,0,0,1,0|2,0,0]=4 585 B9R1.11 O=C(CBr)C1=CSC=C1 O31908 [0,1,0,0,1,0|2,0,0]=4 586 B9R1.11 O=C(CBr)C1=CSC=N1 O31047 [0,1,0,0,1,0|2,0,0]=4 587 B9R1.11 O=C(CBr)C1=NC=CS1 O31894 [0,1,0,0,1,0|2,0,0]=4 588 B9R1.11 O=CC(=O)C1=CC=CS1 P41441 [0,1,0,0,1,0|2,0,0]=4 589 B9R1.35 CC(=O)C1=CC(Br)=CS1 Q67343 [0,1,0,0,1,0|2,0,0]=4 590 B9R1.35 CC(=O)C1=CN(C)N=C1 O31882 [0,1,0,0,1,0|2,0,0]=4 591 B9R1.35 CC(=O)C1=CN=C(N)S1 L18220 [0,1,0,0,1,0|2,0,0]=4 592 B9R1.35 CC(=O)C1=CSC(Cl)=C1 G-5625 [0,1,0,0,1,0|2,0,0]=4 593 B9R1.35 CC(=O)C1=NC(Br)=CS1 Q68164 [0,1,0,0,1,0|2,0,0]=4 594 B9R1.35 CC(=O)C1=NC(C)=CO1 M15480 [0,1,0,0,1,0|2,0,0]=4 595 B9R1.35 CC(=O)C1=NC=C(Br)S1 I-9633 [0,1,0,0,1,0|2,0,0]=4 596 B9R1.35 CC(=O)C1=NC=C(C)S1 O31088 [0,1,0,0,1,0|2,0,0]=4 597 B9R1.35 CC(=O)C1=NN(C)C=C1 K12255 [0,1,0,0,1,0|2,0,0]=4 598 B9R1.35 CC(=O)C1=NNC(N)=C1 G-7055 [0,1,0,0,1,0|2,0,0]=4 599 B9R1.35 CC1=CC(C(=O)O)=CN1 M15493 [0,1,0,0,1,0|1,0,1]=4 600 B9R1.35 CC1=CC(C(=O)O)=CS1 I-9860 [0,1,0,0,1,0|2,0,0]=4 601 B9R1.35 CC1=CC(C(=O)O)=NN1 G-6037 [0,1,0,0,1,0|2,0,0]=4 602 B9R1.35 CC1=CN=C(C(=O)[O-])O1 L21445 [0,1,0,0,1,0|2,0,0]=4 603 B9R1.35 CC1=COC(C(=O)O)=C1 O29596 [0,1,0,0,1,0|2,0,0]=4 604 B9R1.35 CC1=CSC(C(=O)O)=C1 G-7586 [0,1,0,0,1,0|2,0,0]=4 605 B9R1.35 CC1=NC(C(N)=O)=CS1 O34426 [0,1,0,0,1,0|1,0,0]=3 606 B9R1.35 CC1=NC(C(N)=S)=CO1 O29664 [0,1,0,0,1,0|1,1,0]=4 607 B9R1.35 CC1=NOC(C(=O)O)=C1 O30705 [0,1,0,0,1,0|2,0,0]=4 608 B9R1.35 CN1C=C(C(=O)O)C=N1 G-5543 [0,1,0,0,1,0|2,0,0]=4 609 B9R1.35 CN1C=CC(C(=O)Cl)=N1 O30468 [0,1,0,0,1,0|2,0,0]=4 610 B9R1.35 CN1C=CC(C(=O)O)=N1 K12250 [0,1,0,0,1,0|2,0,0]=4 611 B9R1.35 CN1C=NC(C(=O)O)=C1 G-5691 [0,1,0,0,1,0|2,0,0]=4 612 B9R1.35 NC(=O)C1=CC=C(Br)N1 G-6434 [0,1,0,0,1,0|0,0,1]=3 613 B9R1.35 NC(=O)C1=CN=C(Br)S1 P35827 [0,1,0,0,1,0|1,0,0]=3 614 B9R1.35 NC1=CN=C(C(=O)O)S1 G-5065 [0,1,0,0,1,0|2,0,0]=4 615 B9R1.35 NC1=NC(C(=O)O)=CO1 G-7158 [0,1,0,0,1,0|2,0,0]=4 616 B9R1.35 NC1=NC(C(=O)O)=CS1 O30841 [0,1,0,0,1,0|2,0,0]=4 617 B9R1.35 O=C(O)C1=CC(Br)=NN1 H-8098 [0,1,0,0,1,0|2,0,0]=4 618 B9R1.35 O=C(O)C1=CC(Cl)=CS1 O30065 [0,1,0,0,1,0|2,0,0]=4 619 B9R1.35 O=C(O)C1=CC=C(Cl)S1 G-6814 [0,1,0,0,1,0|2,0,0]=4 620 B9R1.35 O=C(O)C1=CC=C(F)S1 G-5621 [0,1,0,0,1,0|2,0,0]=4 621 B9R1.35 O=C(O)C1=CN=C(Cl)S1 O31901 [0,1,0,0,1,0|2,0,0]=4 622 B9R1.35 O=C(O)C1=COC(Cl)=N1 O30387 [0,1,0,0,1,0|2,0,0]=4 623 B9R1.35 O=C(O)C1=CSC(Cl)=C1 G-5624 [0,1,0,0,1,0|2,0,0]=4 624 B9R1.35 O=C(O)C1=NC(Br)=CS1 G-6045 [0,1,0,0,1,0|2,0,0]=4 625 B9R1.35 O=C(O)C1=NC=C(Br)S1 I-9912 [0,1,0,0,1,0|2,0,0]=4 626 B9R1.35 O=C(O)C1=NC=C(Cl)S1 I-9904 [0,1,0,0,1,0|2,0,0]=4 627 B9R1.35 O=C(O)C1=NNC(Br)=C1 H-8089 [0,1,0,0,1,0|2,0,0]=4 628 B9R1.35 O=C(O)C1=NNC(Cl)=C1 O34355 [0,1,0,0,1,0|2,0,0]=4 629 B9R1.35 O=C(O)C1=NNC(F)=C1 Q52440 [0,1,0,0,1,0|2,0,0]=4 630 B9R1.41 CC(=O)C1=C(Br)C=CS1 Q65588 [0,1,0,0,1,0|2,0,0]=4 631 B9R1.41 CC(=O)C1=CC=NN1C N24556 [0,1,0,0,1,0|2,0,0]=4 632 B9R1.41 CC(=O)C1=NC=CN1C C-2913 [0,1,0,0,1,0|2,0,0]=4 633 B9R1.41 CC1=C(C(=O)Cl)SC=N1 F-4290 [0,1,0,0,1,0|2,0,0]=4 634 B9R1.41 CC1=C(C(=O)O)N=CO1 O31842 [0,1,0,0,1,0|2,0,0]=4 635 B9R1.41 CC1=C(C(=O)O)N=CS1 10657 [0,1,0,0,1,0|2,0,0]=4 636 B9R1.41 CC1=C(C(=O)O)NC=N1 L20560 [0,1,0,0,1,0|2,0,0]=4 637 B9R1.41 CC1=CSC=C1C(=O)O L22411 [0,1,0,0,1,0|2,0,0]=4 638 B9R1.41 CN1C=CN=C1C(=N)N C-2875 [0,1,0,0,1,0|2,0,0]=4 639 B9R1.41 CN1C=NC=C1C(=O)O G-7569 [0,1,0,0,1,0|2,0,0]=4 640 B9R1.41 CN1N=CC=C1C(=O)Cl O30448 [0,1,0,0,1,0|2,0,0]=4 641 B9R1.41 CN1N=CC=C1C(=O)O G-5544 [0,1,0,0,1,0|2,0,0]=4 642 B9R1.41 NC(=O)C1=C(N)NN=N1 L18915 [0,1,0,0,1,0|2,0,0]=4 643 B9R1.41 NC(=O)C1=CC=CN1N L13700 [0,1,0,0,1,0|0,0,1]=3 644 B9R1.41 NC(=O)C1=CN=CN1N P48834 [0,1,0,0,1,0|1,0,0]=3 645 B9R1.41 NC(=O)C1=CNN=C1N C-3430 [0,1,0,0,1,0|1,0,0]=3 646 B9R1.41 NC(=O)C1=CNN=C1N P43252 [0,1,0,0,1,0|1,0,0]=3 647 B9R1.41 NC1=C(C(=O)O)C=CS1 P44611 [0,1,0,0,1,0|2,0,0]=4 648 B9R1.41 NC1=C(C(=O)O)C=NN1 A-808 [0,1,0,0,1,0|2,0,0]=4 649 B9R1.41 O=C(O)C1=C(Br)C=CS1 G-6768 [0,1,0,0,1,0|2,0,0]=4 650 B9R1.41 O=C(O)C1=C(Br)N=CN1 H-8119 [0,1,0,0,1,0|2,0,0]=4 651 B9R1.41 O=C(O)C1=C(Br)N=CS1 Q68781 [0,1,0,0,1,0|2,0,0]=4 652 B9R1.41 O=C(O)C1=C(Br)SC=N1 O34437 [0,1,0,0,1,0|2,0,0]=4 653 B9R1.41 O=C(O)C1=C(Cl)C=CN1 H-8302 [0,1,0,0,1,0|1,0,1]=4 654 B9R1.41 O=C(O)C1=CNN=C1Br Q61498 [0,1,0,0,1,0|2,0,0]=4 655 B9R1.41 O=C(O)C1=CSC=C1Br G-7938 [0,1,0,0,1,0|2,0,0]=4 656 B9R1.41 O=C(O)C1=NNC=C1F Q64164 [0,1,0,0,1,0|2,0,0]=4 657 B11R1.20 CC(=O)NC1=CC=C(Br)N=C1 P38969 [0,1,0,0,0,1|1,0,0]=3 658 B11R1.20 CC(=O)NC1=CC=C(N)N=C1 Q58423 [0,1,0,0,0,1|1,0,0]=3 659 B11R1.20 CC(=O)NC1=CN=C(Cl)C=C1 L19034 [0,1,0,0,0,1|1,0,0]=3 660 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 P40160 [0,1,0,0,0,1|2,0,0]=4 661 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 P41430 [0,1,0,0,0,1|2,0,0]=4 662 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 P43234 [0,1,0,0,0,1|1,1,0]=4 663 B11R1.20 N=C(N)CC1=CC=C(F)N=C1 H-8033 [0,1,0,0,0,1|1,0,0]=3 664 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 O31092 [0,1,0,0,0,1|1,0,0]=3 665 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 Q62419 [0,1,0,0,0,1|1,0,0]=3 666 B11R1.20 O=C(O)CC1=CC=C(Br)N=C1 P38230 [0,1,0,0,0,1|1,0,0]=3 667 B11R1.36 CC(C(=O)O)C1=CC=CN=C1 O29526 [0,1,0,0,0,1|1,0,0]=3 668 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 P37697 [0,1,0,0,0,1|1,0,0]=3 669 B11R1.36 NC(C(=O)O)C1=CN=CN=C1 Q63768 [0,1,0,0,0,1|2,0,0]=4 670 B11R1.36 N[C@@H](C(=O)O)C1=CN=CN=C1 Q63769 [0,1,0,0,0,1|2,0,0]=4 671 B11R1.36 N[C@H](C(=O)O)C1=CN=CN=C1 Q63770 [0,1,0,0,0,1|2,0,0]=4 672 B11R1.36 O=C(O)C(O)C1=CC=CN=C1 Q58337 [0,1,0,0,0,1|1,0,0]=3 673 B11R1.36 O=C(O)C(O)C1=CC=CN=C1 Q58338 [0,1,0,0,0,1|1,0,0]=3 674 B11R1.40 C=CC(=O)NC1=CC=CN=C1 Q58308 [0,1,0,0,0,1|1,0,0]=3 675 B11R1.40 COC(=O)CC1=CC=CN=C1 P38302 [0,1,0,0,0,1|1,0,0]=3 676 B11R1.40 COC(=O)CC1=CC=NN=C1 G-6745 [0,1,0,0,0,1|2,0,0]=4 677 B11R1.40 COC(=O)CC1=NN=CC=C1 G-6749 [0,1,0,0,0,1|2,0,0]=4 678 B11R1.40 NCC(=O)NC1=CC=CC=C1 P37442 [0,1,0,0,0,1|1,0,0]=3 679 B11R1.40 NNC(=O)CC1=CC=NC=C1 P36560 [0,1,0,0,0,1|2,0,0]=4 680 B11R1.40 O=C(CBr)CC1=CC=CC=C1 O31255 [0,1,0,0,0,1|2,0,0]=4 681 B11R1.40 O=C(CBr)NC1=CC=CC=C1 P37595 [0,1,0,0,0,1|2,0,0]=4 682 B11R1.40 O=C(CC1=CC=CC=C1)NO P37592 [0,1,0,0,0,1|1,0,0]=3 683 B11R1.40 O=C(CCl)NC1=CC=CN=C1 P36081 [0,1,0,0,0,1|1,0,0]=3 684 B11R1.86 CC(=O)OC1=CC=CC=C1Br P40333 [0,1,0,0,0,1|2,0,0]=4 685 B11R1.86 CC1=C(CC(=O)O)C=CC=N1 H-8205 [0,1,0,0,0,1|1,0,0]=3 686 B11R1.86 CC1=CC=NC=C1CC(=O)O Q60617 [0,1,0,0,0,1|1,0,0]=3 687 B11R1.86 NC1=CC=CC=C1CC(=O)O P38750 [0,1,0,0,0,1|2,0,0]=4 688 B11R1.86 O=C(O)CC1=CC=CN=C1Cl G-5570 [0,1,0,0,0,1|1,0,0]=3 689 B11R1.86 O=C([O-])CC1=NC=CN=C1Cl L13128 [0,1,0,0,0,1|2,0,0]=4 690 B11R1.157 CC(=O)OC1=CC=CC(Br)=C1 P38633 [0,1,0,0,0,1|2,0,0]=4 691 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 L21790 [0,1,0,0,0,1|1,0,0]=3 692 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 C-3500 [0,1,0,0,0,1|1,0,0]=3 693 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 O28118 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.3 C#CC1=CC=C(C(=O)O)C=N1 Q53214 [0,2,0,0,0,0|1,0,0]=3 695 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 O27991 [0,2,0,0,0,0|2,0,0]=4 696 B11R1.3 C#CC1=CC=C([N+](=O)[O-])C=N1 Q52473 [0,2,0,0,0,0|2,0,0]=4 697 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 L20737 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 P36753 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.3 CCC1=CC=C(C(C)=O)C=N1 Q53712 [0,2,0,0,0,0|1,0,0]=3 700 B11R1.3 CCC1=CN=C(C(=O)O)C=N1 P43454 [0,2,0,0,0,0|2,0,0]=4 701 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 Q60524 [0,2,0,0,0,0|1,0,0]=3 702 B11R1.3 COC1=CC=C(C(N)=S)C=N1 O31104 [0,2,0,0,0,0|0,1,0]=3 703 B11R1.3 COC1=CN=C(C(=O)O)C=N1 O31701 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.3 COC1=NC=C(C(=O)O)C=N1 Q67508 [0,2,0,0,0,0|2,0,0]=4 705 B11R1.3 COC1=NN=C(C(=O)O)C=C1 L22364 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.3 CSC1=NC=C(C(=O)O)C=C1 N24630 [0,2,0,0,0,0|1,0,0]=3 707 B11R1.3 N#CC1=CC=C(C(=O)Cl)C=C1 P43237 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.3 N#CC1=CC=C(C(N)=O)C=C1 P38941 [0,2,0,0,0,0|1,0,0]=3 709 B11R1.3 N#CC1=NC=C(C(=O)O)C=C1 E-3027 [0,2,0,0,0,0|1,0,0]=3 710 B11R1.3 N#CC1=NC=C(C(=O)O)C=N1 G-6152 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 P37128 [0,2,0,0,0,0|1,0,0]=3 712 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 O28757 [0,2,0,0,0,0|1,0,0]=3 713 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 G-5405 [0,2,0,0,0,0|1,0,0]=3 714 B11R1.3 O=C(O)C1=CC=C(CO)N=C1 P44354 [0,2,0,0,0,0|1,0,0]=3 715 B11R1.3 O=C(O)C1=CC=C(CS)C=C1 P38363 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.3 O=CC1=CC=C(C(=O)O)C=N1 Q62284 [0,2,0,0,0,0|1,0,0]=3 717 B11R1.3 O=CC1=NC=C([N+](=O)[O-])C=C1 G-5548 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.19 CC1=CC=C(C(C)(C)N)C=N1 Q58436 [0,2,0,0,0,0|1,0,1]=4 719 B11R1.19 CC1=CC=C(S(=O)(=O)Cl)C=N1 Q54175 [0,2,0,0,0,0|2,0,0]=4 720 B11R1.19 CC1=CC=C(S(N)(=O)=O)C=N1 Q58484 [0,2,0,0,0,0|1,0,0]=3 721 B11R1.19 NC1=NC=C(S(N)(=O)=O)C=N1 O30368 [0,2,0,0,0,0|2,0,0]=4 722 B11R1.19 NS(=O)(=O)C1=CN=C(Br)C=C1 Q62402 [0,2,0,0,0,0|1,0,0]=3 723 B11R1.19 O=S(=O)(Cl)C1=CN=C(Br)C=C1 Q54488 [0,2,0,0,0,0|2,0,0]=4 724 B11R1.21 CC(=O)C1=CC(Cl)=C(C)N=C1 O29923 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.21 CC(=O)C1=CC=C(Br)C(Cl)=C1 M15796 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.21 CC(=O)C1=CC=C(Cl)C(Br)=C1 Q66292 [0,2,0,0,0,0|2,0,0]=4 727 B11R1.21 CC(=O)C1=CC=C(F)C(O)=C1 N25331 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=N1 Q60858 [0,2,0,0,0,0|1,0,0]=3 729 B11R1.21 CC1=C(O)C=C(C(=O)O)C=N1 Q60795 [0,2,0,0,0,0|1,0,0]=3 730 B11R1.21 CC1=C(O)N=CC(C(=O)O)=C1 L19518 [0,2,0,0,0,0|1,0,0]=3 731 B11R1.21 CC1=CC(C(=O)O)=CN=C1Br Q66669 [0,2,0,0,0,0|1,0,0]=3 732 B11R1.21 CC1=CC(C(=O)O)=CN=C1C Q68802 [0,2,0,0,0,0|1,0,0]=3 733 B11R1.21 CC1=CC(C(=O)O)=CN=C1C Q69971 [0,2,0,0,0,0|1,0,0]=3 734 B11R1.21 CC1=CC(C(=O)O)=CN=C1Cl N25124 [0,2,0,0,0,0|1,0,0]=3 735 B11R1.21 CC1=CC(C(=O)O)=CN=C1F Q66670 [0,2,0,0,0,0|1,0,0]=3 736 B11R1.21 CC1=CC(C(N)=O)=CC=C1N M15755 [0,2,0,0,0,0|1,0,0]=3 737 B11R1.21 CC1=CC(C(N)=O)=NC=C1Br N25351 [0,2,0,0,0,0|2,0,0]=4 738 B11R1.21 CC1=CC([N+](=O)[O-])=CN=C1Cl G-7394 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.21 CC1=NC(C(N)=O)=CC=C1Br N25229 [0,2,0,0,0,0|2,0,0]=4 740 B11R1.21 CC1=NC=C(C(=O)O)C=C1Br P51094 [0,2,0,0,0,0|1,0,0]=3 741 B11R1.21 CC1=NC=C(C(=O)O)C=C1N G-6537 [0,2,0,0,0,0|1,0,0]=3 742 B11R1.21 CC1=NC=C([N+](=O)[O-])C=C1Br C-2417 [0,2,0,0,0,0|2,0,0]=4 743 B11R1.21 CC1=NC=C([N+](=O)[O-])C=C1N G-6572 [0,2,0,0,0,0|2,0,0]=4 744 B11R1.21 CC1=NC=C([N+](=O)[O-])C=C1O Q56568 [0,2,0,0,0,0|2,0,0]=4 745 B11R1.21 CN1C=C(C(=O)O)C=CC1=O G-5206 [0,2,0,0,0,0|1,0,1]=4 746 B11R1.21 CN1C=CC(C(N)=O)=CC1=O I-9710 [0,2,0,0,0,0|2,0,0]=4 747 B11R1.21 N=C(N)C1=CC=C(F)C(Br)=C1 O30355 [0,2,0,0,0,0|2,0,0]=4 748 B11R1.21 N=C(N)C1=CC=C(F)C(F)=C1 O30426 [0,2,0,0,0,0|2,0,0]=4 749 B11R1.21 NC(=O)C1=CC(F)=C(Cl)N=C1 O29836 [0,2,0,0,0,0|0,0,0]=2 750 B11R1.21 NC(=O)C1=NC(Br)=C(F)C=C1 O31506 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.21 NC1=C(Br)N=C(C(=O)O)C=N1 C-2776 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.21 NC1=C(O)C=C(C(=O)O)C=N1 L19943 [0,2,0,0,0,0|1,0,0]=3 753 B11R1.21 NC1=C(S)C=C(C(=O)O)C=C1 A-871 [0,2,0,0,0,0|2,0,0]=4 754 B11R1.21 NC1=C(S)C=CC(C(=O)O)=C1 H-8774 [0,2,0,0,0,0|2,0,0]=4 755 B11R1.21 NC1=CC(C(=O)O)=CC=C1S K16116 [0,2,0,0,0,0|2,0,0]=4 756 B11R1.21 NC1=CC([N+](=O)[O-])=CN=C1N O30253 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)N=C1 C-3764 [0,2,0,0,0,0|1,0,0]=3 758 B11R1.21 O=C(O)C1=CC(F)=C(Cl)N=C1 O31712 [0,2,0,0,0,0|1,0,0]=3 759 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=C1 P37038 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=C1 K13440 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 L13055 [0,2,0,0,0,0|1,0,0]=3 762 B11R1.21 O=[N+]([O-])C1=CN=C(I)C(Cl)=C1 Q52796 [0,2,0,0,0,0|2,0,0]=4 763 B11R1.22 C#CC(=O)C1=CC=C(Cl)C=C1 P39524 [0,2,0,0,0,0|2,0,0]=4 764 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 P40808 [0,2,0,0,0,0|2,0,0]=4 765 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 P37504 [0,2,0,0,0,0|1,0,0]=3 766 B11R1.22 CC1=CC=C(C(=O)NN)C=N1 P40085 [0,2,0,0,0,0|0,0,0]=2 767 B11R1.22 CC1=NC=C(C(=O)CBr)C=C1 Q52597 [0,2,0,0,0,0|1,0,0]=3 768 B11R1.22 CNC(=O)C1=CC=C(Br)N=C1 P35629 [0,2,0,0,0,0|0,0,0]=2 769 B11R1.22 CNC(=O)C1=CC=C(N)N=C1 S72671 [0,2,0,0,0,0|0,0,0]=2 770 B11R1.22 CNC(=O)C1=NC=C(Br)C=C1 P50985 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.22 CNC(=O)C1=NC=C(O)C=C1 O30530 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.22 COC(=O)C1=CC=C(Br)N=C1 C-3212 [0,2,0,0,0,0|1,0,0]=3 773 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 C-3291 [0,2,0,0,0,0|2,0,0]=4 774 B11R1.22 COC(=O)C1=CC=C(O)N=N1 C-2379 [0,2,0,0,0,0|2,0,0]=4 775 B11R1.22 COC(=O)C1=CC=C(S)N=C1 H-8392 [0,2,0,0,0,0|1,0,0]=3 776 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 Q64835 [0,2,0,0,0,0|2,0,0]=4 777 B11R1.22 COC(=O)C1=CN=C(C)N=C1 L13555 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 C-2772 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.22 COC(=O)C1=CN=C(F)C=C1 Q66489 [0,2,0,0,0,0|1,0,0]=3 780 B11R1.22 COC(=O)C1=CN=C(N)C=N1 C-3306 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.22 COC(=O)C1=CN=C(O)C=C1 G-5577 [0,2,0,0,0,0|1,0,0]=3 782 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 G-5538 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.22 COC(=O)C1=NC=C(N)N=C1 O31116 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.22 COC(=O)C1=NN=C(N)C=C1 G-5477 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 P40081 [0,2,0,0,0,0|1,0,0]=3 786 B11R1.22 NNC(=O)C1=CC=[N+]([O-])C=C1 L19826 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.22 O=C(CF)C1=CC=C(Cl)C=C1 O31201 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 P35986 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.166 C=C(C)C1=CN=C(Cl)C=C1Cl O32627 [0,2,0,0,0,0|2,0,0]=4 790 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 O31353 [0,2,0,0,0,0|1,0,0]=3 791 B11R1.166 CC(=O)C1=CC=C(C)C=C1Br P42929 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl O30258 [0,2,0,0,0,0|1,0,0]=3 793 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1N Q69764 [0,2,0,0,0,0|1,0,0]=3 794 B11R1.166 CC(=O)C1=CC=C(N)C=C1Cl O32522 [0,2,0,0,0,0|2,0,0]=4 795 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl Q62398 [0,2,0,0,0,0|1,0,0]=3 796 B11R1.166 CC(=O)C1=CN=C(Cl)N=C1Cl G-7473 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.166 CC1=C([N+](=O)[O-])C=CC(Cl)=N1 L13708 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.166 CC1=C([N+](=O)[O-])C=CC(F)=N1 P40279 [0,2,0,0,0,0|2,0,0]=4 799 B11R1.166 CC1=C([N+](=O)[O-])C=CC(N)=N1 Q65584 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.166 CC1=CC(=O)NC=C1C(=O)O Q57090 [0,2,0,0,0,0|1,0,1]=4 801 B11R1.166 CC1=CC(Br)=CN=C1C(N)=O N25137 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.166 CC1=CC(Br)=NC=C1C(=O)O N26124 [0,2,0,0,0,0|1,0,0]=3 803 B11R1.166 CC1=CC(Br)=NC=C1[N+](=O)[O-] G-6074 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.166 CC1=CC(Cl)=NC=C1C(=O)O N25656 [0,2,0,0,0,0|1,0,0]=3 805 B11R1.166 CC1=CC(Cl)=NC=C1[N+](=O)[O-] G-5608 [0,2,0,0,0,0|2,0,0]=4 806 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 Q60789 [0,2,0,0,0,0|1,0,0]=3 807 B11R1.166 CC1=CC(F)=NC=C1C(=O)O Q67322 [0,2,0,0,0,0|1,0,0]=3 808 B11R1.166 CC1=CC=C(C(=O)O)C(N)=N1 L13612 [0,2,0,0,0,0|1,0,0]=3 809 B11R1.166 CC1=CC=C([N+](=O)[O-])C(Br)=N1 Q68874 [0,2,0,0,0,0|2,0,0]=4 810 B11R1.166 CC1=CC=C([N+](=O)[O-])C(Cl)=N1 P37412 [0,2,0,0,0,0|2,0,0]=4 811 B11R1.166 CC1=CC=C([N+](=O)[O-])C(F)=N1 P40144 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.166 CC1=CN=C(C(=O)O)C(O)=N1 K12278 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.166 CC1=CN=C(C(N)=O)C(N)=C1 O31639 [0,2,0,0,0,0|2,0,0]=4 814 B11R1.166 CC1=NC(Br)=C(C(=O)O)C=N1 H-8399 [0,2,0,0,0,0|2,0,0]=4 815 B11R1.166 CC1=NC(Br)=CC=C1C(=O)O N26103 [0,2,0,0,0,0|1,0,0]=3 816 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 P51309 [0,2,0,0,0,0|1,0,0]=3 817 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 Q60943 [0,2,0,0,0,0|1,0,0]=3 818 B11R1.166 CC1=NC(Cl)=CC=C1C(=O)O N25033 [0,2,0,0,0,0|1,0,0]=3 819 B11R1.166 CC1=NC(Cl)=NC=C1C(=O)O O30245 [0,2,0,0,0,0|2,0,0]=4 820 B11R1.166 CC1=NC(F)=C(C(=O)O)C=C1 N24616 [0,2,0,0,0,0|1,0,0]=3 821 B11R1.166 CC1=NC(F)=CC=C1C(=O)O Q67993 [0,2,0,0,0,0|1,0,0]=3 822 B11R1.166 CC1=NC(N)=NC=C1C(=O)O O30878 [0,2,0,0,0,0|2,0,0]=4 823 B11R1.166 CC1=NC(O)=CC=C1C(=O)O Q52564 [0,2,0,0,0,0|1,0,0]=3 824 B11R1.166 CC1=NC=C(C(=O)O)C(C)=N1 O34423 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=C1 M15159 [0,2,0,0,0,0|1,0,0]=3 826 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 H-8401 [0,2,0,0,0,0|2,0,0]=4 827 B11R1.166 CC1=NC=C([N+](=O)[O-])C(Cl)=C1 Q52097 [0,2,0,0,0,0|2,0,0]=4 828 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1Cl O30415 [0,2,0,0,0,0|2,0,0]=4 829 B11R1.166 NC(=O)C1=C(Cl)C=C(Cl)N=C1 H-8999 [0,2,0,0,0,0|0,0,0]=2 830 B11R1.166 NC(=O)C1=C(F)C=C(Br)C=C1 N24181 [0,2,0,0,0,0|1,0,0]=3 831 B11R1.166 NC(=O)C1=C(N)C=C(Br)C=C1 F-4223 [0,2,0,0,0,0|1,0,0]=3 832 B11R1.166 NC(=O)C1=C(N)N=C(Cl)C=C1 O32779 [0,2,0,0,0,0|0,0,0]=2 833 B11R1.166 NC(=O)C1=CC=C(Br)C=C1Cl Q68006 [0,2,0,0,0,0|1,0,0]=3 834 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1Br Q68008 [0,2,0,0,0,0|1,0,0]=3 835 B11R1.166 NC(=O)C1=CC=C(Cl)N=C1Cl Q67952 [0,2,0,0,0,0|0,0,0]=2 836 B11R1.166 NC(=O)C1=CC=C(O)C=C1F O30471 [0,2,0,0,0,0|1,0,0]=3 837 B11R1.166 NC(=O)C1=CN=C(Cl)N=C1Cl F-4755 [0,2,0,0,0,0|1,0,0]=3 838 B11R1.166 NC(=O)C1=NC=C(Br)C=C1F O31169 [0,2,0,0,0,0|2,0,0]=4 839 B11R1.166 NC(=O)C1=NC=C(Br)C=C1N C-3698 [0,2,0,0,0,0|2,0,0]=4 840 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1F O30034 [0,2,0,0,0,0|2,0,0]=4 841 B11R1.166 NC1=C([N+](=O)[O-])C=CC(Cl)=N1 C-3329 [0,2,0,0,0,0|2,0,0]=4 842 B11R1.166 NC1=CC(Br)=NC=C1[N+](=O)[O-] G-5595 [0,2,0,0,0,0|2,0,0]=4 843 B11R1.166 NC1=CC(Cl)=NC=C1C(=O)O I-9422 [0,2,0,0,0,0|1,0,0]=3 844 B11R1.166 NC1=CC(Cl)=NC=C1[N+](=O)[O-] C-3715 [0,2,0,0,0,0|2,0,0]=4 845 B11R1.166 NC1=CC(F)=NC=C1C(=O)O G-7587 [0,2,0,0,0,0|1,0,0]=3 846 B11R1.166 NC1=CC(I)=CC=C1C(=O)O O32287 [0,2,0,0,0,0|2,0,0]=4 847 B11R1.166 NC1=CC(O)=NC=C1[N+](=O)[O-] S72467 [0,2,0,0,0,0|2,0,0]=4 848 B11R1.166 NC1=CC=C(C(=O)O)C(Br)=N1 Q64646 [0,2,0,0,0,0|1,0,0]=3 849 B11R1.166 NC1=NC(Br)=CC=C1[N+](=O)[O-] G-5514 [0,2,0,0,0,0|2,0,0]=4 850 B11R1.166 NC1=NC(Cl)=CC=C1C(=O)O C-2357 [0,2,0,0,0,0|1,0,0]=3 851 B11R1.166 NC1=NC(O)=CC=C1C(=O)O L19692 [0,2,0,0,0,0|1,0,0]=3 852 B11R1.166 NC1=NC=C([N+](=O)[O-])C(Br)=C1 I-9518 [0,2,0,0,0,0|2,0,0]=4 853 B11R1.166 NC1=NC=C([N+](=O)[O-])C(Cl)=C1 G-6159 [0,2,0,0,0,0|2,0,0]=4 854 B11R1.166 O=C(Cl)C1=CC=C(Cl)N=C1Cl Q67951 [0,2,0,0,0,0|1,0,0]=3 855 B11R1.166 O=C(Cl)C1=CN=C(Cl)N=C1Cl O32296 [0,2,0,0,0,0|2,0,0]=4 856 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)N=C1 F-4417 [0,2,0,0,0,0|1,0,0]=3 857 B11R1.166 O=C(O)C1=C(Cl)N=C(Cl)C=C1 G-6764 [0,2,0,0,0,0|1,0,0]=3 858 B11R1.166 O=C(O)C1=CC=C(Br)C=C1Br P37092 [0,2,0,0,0,0|2,0,0]=4 859 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Br Q51864 [0,2,0,0,0,0|1,0,0]=3 860 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Cl N26004 [0,2,0,0,0,0|1,0,0]=3 861 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1F O30248 [0,2,0,0,0,0|1,0,0]=3 862 B11R1.166 O=C(O)C1=CC=C(F)C=C1O M22934 [0,2,0,0,0,0|2,0,0]=4 863 B11R1.166 O=C(O)C1=CC=C(I)C=C1F P43484 [0,2,0,0,0,0|2,0,0]=4 864 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl Q66502 [0,2,0,0,0,0|2,0,0]=4 865 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl O32638 [0,2,0,0,0,0|1,0,0]=3 866 B11R1.166 O=C(O)C1=CN=C(Br)C=C1I Q52323 [0,2,0,0,0,0|1,0,0]=3 867 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1I N27822 [0,2,0,0,0,0|1,0,0]=3 868 B11R1.166 O=C(O)C1=CN=C(O)N=C1O G-7724 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.166 O=C(O)C1=NC=C(Cl)N=C1Cl I-9428 [0,2,0,0,0,0|2,0,0]=4 870 B11R1.166 O=[N+]([O-])C1=CC=C(F)N=C1F O31678 [0,2,0,0,0,0|2,0,0]=4 871 B11R1.166 O=[N+]([O-])C1=CN=C(Br)C=C1Br G-7757 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.166 O=[N+]([O-])C1=CN=C(Cl)C=C1Cl G-7183 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.166 O=[N+]([O-])C1=CN=C(Cl)C=C1O O31048 [0,2,0,0,0,0|2,0,0]=4 874 B11R1.166 O=[N+]([O-])C1=CN=C(O)C=C1Cl 10641 [0,2,0,0,0,0|2,0,0]=4 875 B11R1.7 CNS(=O)(=O)C1=CC=CN=C1 Q52495 [0,2,0,0,0,0|1,0,0]=3 876 B11R1.7 NNS(=O)(=O)C1=CC=CN=C1 Q52494 [0,2,0,0,0,0|1,0,0]=3 877 B11R1.12 NC\C(=C\Cl)C1=CC=CC=C1 M15334 [0,2,0,0,0,0|2,0,0]=4 878 B11R1.16 CCCC(=O)C1=CC=CN=C1 P40625 [0,2,0,0,0,0|1,0,0]=3 879 B11R1.16 CNCC(O)C1=CC=CN=C1 Q58187 [0,2,0,0,0,0|0,0,2]=4 880 B11R1.16 COC[C@@H](N)C1=CC=CN=C1 P43472 [0,2,0,0,0,0|0,0,2]=4 881 B11R1.16 COC[C@H](N)C1=CC=CN=C1 P43473 [0,2,0,0,0,0|0,0,2]=4 882 B11R1.16 CONC(=O)C1=CC=CC=C1 Q65648 [0,2,0,0,0,0|1,0,0]=3 883 B11R1.16 N#CCC(=O)C1=CC=CN=C1 P38931 [0,2,0,0,0,0|0,0,1]=3 884 B11R1.23 C#CC(=O)C1=CC=CC(Cl)=C1 P38720 [0,2,0,0,0,0|2,0,0]=4 885 B11R1.23 CC1=CC(C(=O)CBr)=CC=C1 O28559 [0,2,0,0,0,0|2,0,0]=4 886 B11R1.23 CC1=CC=CC(C(=O)NN)=N1 S72497 [0,2,0,0,0,0|2,0,0]=4 887 B11R1.23 CC1=CN=CC(C(=O)NN)=C1 O30082 [0,2,0,0,0,0|0,0,0]=2 888 B11R1.23 COC(=O)C1=CC(C)=CN=C1 Q66697 [0,2,0,0,0,0|1,0,0]=3 889 B11R1.23 COC(=O)C1=CC(C)=CN=N1 L22161 [0,2,0,0,0,0|2,0,0]=4 890 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 G-7304 [0,2,0,0,0,0|2,0,0]=4 891 B11R1.23 COC(=O)C1=CC(F)=CN=C1 C-2951 [0,2,0,0,0,0|1,0,0]=3 892 B11R1.23 COC(=O)C1=CC(O)=CN=C1 P45785 [0,2,0,0,0,0|1,0,0]=3 893 B11R1.23 COC(=O)C1=CC=CC(Br)=C1 Q66806 [0,2,0,0,0,0|2,0,0]=4 894 B11R1.23 COC(=O)C1=NC(Cl)=CN=C1 C-3476 [0,2,0,0,0,0|2,0,0]=4 895 B11R1.23 NCC(=O)C1=CC=CC(Br)=C1 P37041 [0,2,0,0,0,0|1,0,0]=3 896 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 P37749 [0,2,0,0,0,0|1,0,0]=3 897 B11R1.23 NCC(=O)C1=CC=CC(F)=C1 P35035 [0,2,0,0,0,0|1,0,0]=3 898 B11R1.23 NCC(=O)C1=CC=CC(O)=C1 P41173 [0,2,0,0,0,0|1,0,0]=3 899 B11R1.23 NNC(=O)C1=CC(Cl)=NC=C1 C-3315 [0,2,0,0,0,0|2,0,0]=4 900 B11R1.222 C#CC(=O)C1=CC=CC=C1Cl M23022 [0,2,0,0,0,0|2,0,0]=4 901 B11R1.222 CC1=CC=CC=C1C(=O)CBr O28087 [0,2,0,0,0,0|2,0,0]=4 902 B11R1.222 CNC(=O)C1=CC=CC=C1Br P37075 [0,2,0,0,0,0|1,0,0]=3 903 B11R1.222 CNC(=O)C1=CC=CC=C1C O32523 [0,2,0,0,0,0|1,0,0]=3 904 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 N25636 [0,2,0,0,0,0|1,0,0]=3 905 B11R1.222 COC(=O)C1=C(Br)N=CN=C1 H-8377 [0,2,0,0,0,0|2,0,0]=4 906 B11R1.222 COC(=O)C1=C(C)C=NN=C1 G-7306 [0,2,0,0,0,0|2,0,0]=4 907 B11R1.222 COC(=O)C1=C(C)N=CC=C1 I-9174 [0,2,0,0,0,0|1,0,0]=3 908 B11R1.222 COC(=O)C1=C(F)N=CC=C1 Q66492 [0,2,0,0,0,0|1,0,0]=3 909 B11R1.222 COC(=O)C1=CC=CN=C1Br Q67675 [0,2,0,0,0,0|1,0,0]=3 910 B11R1.222 COC(=O)C1=CC=CN=C1I O30553 [0,2,0,0,0,0|1,0,0]=3 911 B11R1.222 COC(=O)C1=CN=CN=C1Cl H-8381 [0,2,0,0,0,0|2,0,0]=4 912 B11R1.222 COC(=O)C1=NC=CN=C1Br Q51827 [0,2,0,0,0,0|2,0,0]=4 913 B11R1.222 COC(=O)C1=NC=CN=C1Cl C-3373 [0,2,0,0,0,0|2,0,0]=4 914 B11R1.222 COC(=O)C1=NC=CN=C1F L18388 [0,2,0,0,0,0|2,0,0]=4 915 B11R1.222 NCC(=O)C1=CC=CC=C1Br P35565 [0,2,0,0,0,0|1,0,0]=3 916 B11R1.222 NCC(=O)C1=CC=CC=C1Cl P40753 [0,2,0,0,0,0|1,0,0]=3 917 B11R1.222 NCC(=O)C1=CC=CC=C1O P37785 [0,2,0,0,0,0|1,0,0]=3 918 B11R1.222 NNC(=O)C1=CC=CN=C1N O30046 [0,2,0,0,0,0|0,0,0]=2 919 B11R1.222 O=C(CBr)C1=CC=CC=C1Br P37875 [0,2,0,0,0,0|2,0,0]=4 920 B11R1.222 O=C(CF)C1=CC=CC=C1F P51651 [0,2,0,0,0,0|2,0,0]=4 921 B11R1.87 CC1=C(S(=O)(=O)Cl)C=NC=C1 Q54176 [0,2,0,0,0,0|2,0,0]=4 922 B11R1.87 CC1=NC=CC=C1S(=O)(=O)Cl Q54174 [0,2,0,0,0,0|2,0,0]=4 923 B11R1.87 CS(=O)(=O)C1=CC=CN=C1Cl G-5534 [0,2,0,0,0,0|2,0,0]=4 924 B11R1.87 CS(=O)(=O)C1=CC=CN=C1F N24500 [0,2,0,0,0,0|2,0,0]=4 925 B11R1.87 O=S(=O)(Cl)C1=CC=CN=C1Br O29477 [0,2,0,0,0,0|2,0,0]=4 926 B11R1.87 O=S(=O)(Cl)C1=CC=CN=C1F Q52722 [0,2,0,0,0,0|2,0,0]=4 927 B11R1.155 CC(C)(N)C1=CC(Br)=CN=C1 Q56651 [0,2,0,0,0,0|1,0,1]=4 928 B11R1.155 CS(=O)(=O)C1=CN=CC(Br)=C1 O30451 [0,2,0,0,0,0|2,0,0]=4 929 B11R1.155 O=S(=O)(Cl)C1=CC(Br)=CN=C1 O30509 [0,2,0,0,0,0|2,0,0]=4 930 B11R1.155 O=S(=O)(Cl)C1=CC(Cl)=CN=C1 O33337 [0,2,0,0,0,0|2,0,0]=4 931 B11R1.53 C#CC1=CC=CC=C1C(=O)O O28760 [0,2,0,0,0,0|2,0,0]=4 932 B11R1.53 C#CC1=CC=CC=C1C(C)=O O29479 [0,2,0,0,0,0|2,0,0]=4 933 B11R1.53 C#CC1=CC=CC=C1C(N)=O O29403 [0,2,0,0,0,0|1,0,0]=3 934 B11R1.53 COC1=C(C(C)=O)C=NC=C1 O33511 [0,2,0,0,0,0|1,0,0]=3 935 B11R1.53 COC1=CC=CC=C1C(N)=O P39422 [0,2,0,0,0,0|1,0,0]=3 936 B11R1.53 COC1=NC=CC=C1C(C)=O P41710 [0,2,0,0,0,0|1,0,0]=3 937 B11R1.53 N#CC1=C(C(=O)O)C=CC=N1 Q60785 [0,2,0,0,0,0|1,0,0]=3 938 B11R1.53 N#CC1=CC=NC=C1C(=O)O G-7849 [0,2,0,0,0,0|1,0,0]=3 939 B11R1.53 N#CC1=NC=CC=C1[N+](=O)[O-] G-7562 [0,2,0,0,0,0|2,0,0]=4 940 B11R1.53 NCC1=CC=CC=C1C(=O)O O28742 [0,2,0,0,0,0|2,0,0]=4 941 B11R1.53 O=C(O)C1=CC=CC=C1CO O34075 [0,2,0,0,0,0|2,0,0]=4 942 B11R1.53 O=CC1=C(C(=O)O)C=NC=C1 P44466 [0,2,0,0,0,0|1,0,0]=3 943 B11R1.53 O=CC1=NC=CC=C1C(=O)O Q60213 [0,2,0,0,0,0|1,0,0]=3 944 B11R1.53 O=CC1=NC=CC=C1[N+](=O)[O-] I-9744 [0,2,0,0,0,0|2,0,0]=4 945 B11R1.156 CC(=O)C1=C(Cl)N=CN=C1Cl L18393 [0,2,0,0,0,0|2,0,0]=4 946 B11R1.156 CC(=O)C1=C(I)C=CN=C1F N27716 [0,2,0,0,0,0|1,0,0]=3 947 B11R1.156 CC1=C(C(=O)O)C(Cl)=CC=C1 I-9230 [0,2,0,0,0,0|2,0,0]=4 948 B11R1.156 CC1=C(C(=O)O)C(Cl)=CC=N1 Q60700 [0,2,0,0,0,0|1,0,0]=3 949 B11R1.156 CC1=C(C(=O)O)C(Cl)=NC=C1 Q52933 [0,2,0,0,0,0|1,0,0]=3 950 B11R1.156 CC1=C(C(=O)O)C(F)=NC=C1 N26390 [0,2,0,0,0,0|1,0,0]=3 951 B11R1.156 CC1=C(N(=O)=O)C(N)=NC=C1 C-2835 [0,2,0,0,0,0|2,0,0]=4 952 B11R1.156 CC1=C([N+](=O)[O-])C(Br)=CC=N1 Q52536 [0,2,0,0,0,0|2,0,0]=4 953 B11R1.156 CC1=C([N+](=O)[O-])C(Br)=NC=C1 P39516 [0,2,0,0,0,0|2,0,0]=4 954 B11R1.156 CC1=C([N+](=O)[O-])C(Cl)=NC=C1 G-6843 [0,2,0,0,0,0|2,0,0]=4 955 B11R1.156 CC1=C([N+](=O)[O-])C(F)=NC=C1 O30616 [0,2,0,0,0,0|2,0,0]=4 956 B11R1.156 CC1=NC=CC(C)=C1C(=O)O G-7850 [0,2,0,0,0,0|1,0,0]=3 957 B11R1.156 NC(=O)C1=C(Cl)C=NC=C1Cl O29200 [0,2,0,0,0,0|2,0,0]=4 958 B11R1.156 NC(=O)C1=C(F)C=CN=C1Cl Q62283 [0,2,0,0,0,0|0,0,0]=2 959 B11R1.156 NC1=C(C(=O)O)C(Cl)=NC=C1 L14459 [0,2,0,0,0,0|1,0,0]=3 960 B11R1.156 NC1=C([N+](=O)[O-])C(Br)=NC=C1 G-6507 [0,2,0,0,0,0|2,0,0]=4 961 B11R1.156 NC1=C([N+](=O)[O-])C(Cl)=NC=C1 I-9592 [0,2,0,0,0,0|2,0,0]=4 962 B11R1.156 NC1=CC=CC(I)=C1C(=O)O O32252 [0,2,0,0,0,0|2,0,0]=4 963 B11R1.156 NC1=NC=CC(Br)=C1[N+](=O)[O-] G-5515 [0,2,0,0,0,0|2,0,0]=4 964 B11R1.156 NC1=NC=CC(Cl)=C1[N+](=O)[O-] C-2326 [0,2,0,0,0,0|2,0,0]=4 965 B11R1.156 O=C(Cl)C1=C(Cl)C=CC=C1Br Q67512 [0,2,0,0,0,0|2,0,0]=4 966 B11R1.156 O=C(O)C1=C(Br)C=CC=C1Br Q67183 [0,2,0,0,0,0|2,0,0]=4 967 B11R1.156 O=C(O)C1=C(Br)C=CC=C1F C-3485 [0,2,0,0,0,0|2,0,0]=4 968 B11R1.156 O=C(O)C1=C(Br)C=CN=C1F O30907 [0,2,0,0,0,0|1,0,0]=3 969 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1O Q66580 [0,2,0,0,0,0|2,0,0]=4 970 B11R1.156 O=C(O)C1=C(Cl)C=CN=C1O Q60761 [0,2,0,0,0,0|1,0,0]=3 971 B11R1.156 O=C(O)C1=C(Cl)N=CC=C1Br Q67320 [0,2,0,0,0,0|1,0,0]=3 972 B11R1.156 O=C(O)C1=C(Cl)N=CC=C1F O30790 [0,2,0,0,0,0|1,0,0]=3 973 B11R1.156 O=C(O)C1=C(Cl)N=CC=C1I P43249 [0,2,0,0,0,0|1,0,0]=3 974 B11R1.156 O=C(O)C1=C(F)C=CN=C1Br O29983 [0,2,0,0,0,0|1,0,0]=3 975 B11R1.156 O=C(O)C1=C(F)N=CC=C1I A-622 [0,2,0,0,0,0|1,0,0]=3 976 B11R1.156 O=[N+]([O-])C1=C(Cl)N=CC=C1Cl E-3081 [0,2,0,0,0,0|2,0,0]=4 977 B11R1.156 O=[N+]([O-])C1=C(F)C=CN=C1F O30154 [0,2,0,0,0,0|2,0,0]=4 978 B11R1.159 CC(=O)C1=C(O)C(C)=CC=C1 M23816 [0,2,0,0,0,0|2,0,0]=4 979 B11R1.159 CC1=C(Br)C=NC=C1[N+](=O)[O-] Q67291 [0,2,0,0,0,0|2,0,0]=4 980 B11R1.159 CC1=C(C(=O)O)C=NC=C1Br N25194 [0,2,0,0,0,0|1,0,0]=3 981 B11R1.159 CC1=C(C(=O)O)C=NC=C1Cl Q60529 [0,2,0,0,0,0|1,0,0]=3 982 B11R1.159 CC1=C(C(=O)O)C=NC=C1F Q60749 [0,2,0,0,0,0|1,0,0]=3 983 B11R1.159 CC1=C(C(N)=O)C=CC=C1Br N24536 [0,2,0,0,0,0|1,0,0]=3 984 B11R1.159 CC1=C(C(N)=O)C=NC=C1Br N25587 [0,2,0,0,0,0|0,0,0]=2 985 B11R1.159 CC1=C(F)C(C(=O)O)=CC=C1 Q67898 [0,2,0,0,0,0|2,0,0]=4 986 B11R1.159 CC1=C(N)C(C(N)=O)=CC=C1 O30695 [0,2,0,0,0,0|1,0,0]=3 987 B11R1.159 CN1C=CC=C(C(=O)O)C1=O G-7544 [0,2,0,0,0,0|1,0,1]=4 988 B11R1.159 NC(=O)C1=C(Cl)C(Cl)=NC=C1 N25264 [0,2,0,0,0,0|2,0,0]=4 989 B11R1.159 NC(=O)C1=C(N)C(Cl)=NC=C1 O31275 [0,2,0,0,0,0|2,0,0]=4 990 B11R1.159 NC(=O)C1=CC=CC(N)=C1N G-7463 [0,2,0,0,0,0|1,0,0]=3 991 B11R1.159 NC1=C(Br)C=NC=C1C(=O)O L14675 [0,2,0,0,0,0|1,0,0]=3 992 B11R1.159 NC1=C(Br)C=NC=C1[N+](=O)[O-] G-5593 [0,2,0,0,0,0|2,0,0]=4 993 B11R1.159 NC1=C(Cl)C=NC=C1[N+](=O)[O-] C-3705 [0,2,0,0,0,0|2,0,0]=4 994 B11R1.159 NC1=C(F)C(C(=O)O)=CC=C1 P35150 [0,2,0,0,0,0|2,0,0]=4 995 B11R1.159 NC1=C(I)C=CC=C1C(=O)O O32276 [0,2,0,0,0,0|2,0,0]=4 996 B11R1.159 O=C(O)C1=C(Cl)C(Br)=CN=C1 N26393 [0,2,0,0,0,0|1,0,0]=3 997 B11R1.159 O=C(O)C1=C(Cl)C(F)=CN=C1 N26255 [0,2,0,0,0,0|1,0,0]=3 998 B11R1.159 O=C(O)C1=C(F)C(O)=CC=C1 N24320 [0,2,0,0,0,0|2,0,0]=4 999 B11R1.159 O=C(O)C1=CC=CC(Br)=C1O P51774 [0,2,0,0,0,0|2,0,0]=4 1000 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1O Q66616 [0,2,0,0,0,0|2,0,0]=4 1001 B11R1.159 O=C(O)C1=CC=CC(I)=C1F Q67650 [0,2,0,0,0,0|2,0,0]=4 1002 B11R1.159 O=[N+]([O-])C1=C(Br)C(Cl)=CN=C1 F-4229 [0,2,0,0,0,0|2,0,0]=4 1003 B11R1.159 O=[N+]([O-])C1=CN=CC(Br)=C1O Q67697 [0,2,0,0,0,0|2,0,0]=4 1004 B11R1.159 O=[N+]([O-])C1=CN=CC(Cl)=C1Cl G-5594 [0,2,0,0,0,0|2,0,0]=4 1005 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F G-7719 [0,2,0,0,0,0|1,0,0]=3 1006 B11R1.167 CC(=O)C1=CC(C)=CC=C1Br O29725 [0,2,0,0,0,0|2,0,0]=4 1007 B11R1.167 CC(=O)C1=CC(C)=CN=C1F N26923 [0,2,0,0,0,0|1,0,0]=3 1008 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1F P37541 [0,2,0,0,0,0|2,0,0]=4 1009 B11R1.167 CC(=O)C1=CC(O)=CC=C1C N26381 [0,2,0,0,0,0|2,0,0]=4 1010 B11R1.167 CC(=O)C1=NC(Cl)=CN=C1N O32037 [0,2,0,0,0,0|2,0,0]=4 1011 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=N1 P43289 [0,2,0,0,0,0|1,0,0]=3 1012 B11R1.167 CC1=CC=C(I)C=C1C(=O)O P43248 [0,2,0,0,0,0|2,0,0]=4 1013 B11R1.167 CC1=CC=C(N)C=C1C(=O)O P43309 [0,2,0,0,0,0|2,0,0]=4 1014 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 N24563 [0,2,0,0,0,0|1,0,0]=3 1015 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 N25261 [0,2,0,0,0,0|1,0,0]=3 1016 B11R1.167 CC1=NC=C(Br)C=C1[N+](=O)[O-] C-2270 [0,2,0,0,0,0|2,0,0]=4 1017 B11R1.167 CC1=NC=C(Cl)C=C1[N+](=O)[O-] C-3692 [0,2,0,0,0,0|2,0,0]=4 1018 B11R1.167 CC1=NC=C(F)C=C1[N+](=O)[O-] Q55007 [0,2,0,0,0,0|2,0,0]=4 1019 B11R1.167 CC1=NC=C(I)C=C1[N+](=O)[O-] Q51900 [0,2,0,0,0,0|2,0,0]=4 1020 B11R1.167 CC1=NC=C(N)C=C1C(=O)O Q58346 [0,2,0,0,0,0|1,0,0]=3 1021 B11R1.167 CC1=NN=C(Cl)C(C(=O)O)=C1 O30799 [0,2,0,0,0,0|2,0,0]=4 1022 B11R1.167 NC(=O)C1=C(F)C=NC(Br)=C1 Q62405 [0,2,0,0,0,0|2,0,0]=4 1023 B11R1.167 NC(=O)C1=CC(Br)=CN=C1Br N26093 [0,2,0,0,0,0|0,0,0]=2 1024 B11R1.167 NC(=O)C1=CC(Br)=CN=C1Cl Q67299 [0,2,0,0,0,0|0,0,0]=2 1025 B11R1.167 NC(=O)C1=CC(Br)=CN=C1F N24843 [0,2,0,0,0,0|0,0,0]=2 1026 B11R1.167 NC(=O)C1=CC(Cl)=NC=C1Cl N25426 [0,2,0,0,0,0|2,0,0]=4 1027 B11R1.167 NC(=O)C1=CC(Cl)=NC=C1N O31569 [0,2,0,0,0,0|2,0,0]=4 1028 B11R1.167 NC(=O)C1=CC(F)=CC=C1Br P43107 [0,2,0,0,0,0|1,0,0]=3 1029 B11R1.167 NC(=O)C1=NC(Br)=CC=C1F Q62404 [0,2,0,0,0,0|2,0,0]=4 1030 B11R1.167 NC(=O)C1=NC(Br)=CN=C1O 10632 [0,2,0,0,0,0|1,0,0]=3 1031 B11R1.167 NC(=O)C1=NC(Cl)=CNC1=O 10604 [0,2,0,0,0,0|1,0,1]=4 1032 B11R1.167 NC(=O)C1=NC(F)=CN=C1O F-4501 [0,2,0,0,0,0|1,0,0]=3 1033 B11R1.167 NC1=CC(C(=O)O)=C(Cl)N=C1 G-6804 [0,2,0,0,0,0|1,0,0]=3 1034 B11R1.167 NC1=NC=C(Br)C=C1[N+](=O)[O-] C-3683 [0,2,0,0,0,0|2,0,0]=4 1035 B11R1.167 NC1=NC=C(Br)N=C1C(=O)O P37901 [0,2,0,0,0,0|2,0,0]=4 1036 B11R1.167 NC1=NC=C(F)C=C1C(=O)O L18306 [0,2,0,0,0,0|1,0,0]=3 1037 B11R1.167 NC1=NC=C(F)C=C1[N+](=O)[O-] P39783 [0,2,0,0,0,0|2,0,0]=4 1038 B11R1.167 NC1=NC=C(I)C=C1[N+](=O)[O-] C-3684 [0,2,0,0,0,0|2,0,0]=4 1039 B11R1.167 O=C(Cl)C1=CC(Br)=CC=C1F Q67078 [0,2,0,0,0,0|2,0,0]=4 1040 B11R1.167 O=C(Cl)C1=CC(Br)=CN=C1Cl N25174 [0,2,0,0,0,0|1,0,0]=3 1041 B11R1.167 O=C(Cl)C1=CC(Br)=CN=C1F N27324 [0,2,0,0,0,0|1,0,0]=3 1042 B11R1.167 O=C(O)C1=C(Br)N=CC(Br)=C1 Q66324 [0,2,0,0,0,0|1,0,0]=3 1043 B11R1.167 O=C(O)C1=C(Br)N=CC(Cl)=C1 Q67587 [0,2,0,0,0,0|1,0,0]=3 1044 B11R1.167 O=C(O)C1=C(Cl)N=NC(Cl)=C1 C-3726 [0,2,0,0,0,0|2,0,0]=4 1045 B11R1.167 O=C(O)C1=CC(Br)=CN=C1Cl C-3392 [0,2,0,0,0,0|1,0,0]=3 1046 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O C-3696 [0,2,0,0,0,0|1,0,0]=3 1047 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1F E-3037 [0,2,0,0,0,0|1,0,0]=3 1048 B11R1.167 O=C(O)C1=CC(F)=CN=C1Br O31572 [0,2,0,0,0,0|1,0,0]=3 1049 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl C-3699 [0,2,0,0,0,0|1,0,0]=3 1050 B11R1.167 O=C(O)C1=CC(F)=CN=C1F Q62473 [0,2,0,0,0,0|1,0,0]=3 1051 B11R1.167 O=C(O)C1=NC(Br)=CN=C1Br Q52652 [0,2,0,0,0,0|2,0,0]=4 1052 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Br L21544 [0,2,0,0,0,0|2,0,0]=4 1053 B11R1.167 O=[N+]([O-])C1=CC(F)=CN=C1Cl O31185 [0,2,0,0,0,0|2,0,0]=4 1054 B11R1.167 O=[N+]([O-])C1=CC(I)=CN=C1Cl G-5478 [0,2,0,0,0,0|2,0,0]=4 1055 B11R1.74 CC(=O)C1=CC(C)=CC(Br)=C1 P43442 [0,2,0,0,0,0|2,0,0]=4 1056 B11R1.74 CC(=O)C1=CC(Cl)=CC(Br)=C1 N24889 [0,2,0,0,0,0|2,0,0]=4 1057 B11R1.74 CC(=O)C1=CC(F)=CC(Br)=C1 O30551 [0,2,0,0,0,0|2,0,0]=4 1058 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=C1 P37229 [0,2,0,0,0,0|2,0,0]=4 1059 B11R1.74 CC1=CC(O)=CC(C(=O)O)=C1 O32304 [0,2,0,0,0,0|2,0,0]=4 1060 B11R1.74 N=C(N)C1=CC(F)=CC(F)=C1 O30715 [0,2,0,0,0,0|2,0,0]=4 1061 B11R1.74 NC(=O)C1=CC(Br)=CC(Br)=C1 Q67696 [0,2,0,0,0,0|1,0,0]=3 1062 B11R1.74 NC(=O)C1=CC(Cl)=NC(Cl)=C1 Q67950 [0,2,0,0,0,0|2,0,0]=4 1063 B11R1.74 O=C(Cl)C1=CC(F)=CC(Br)=C1 O29004 [0,2,0,0,0,0|2,0,0]=4 1064 B11R1.74 O=C(O)C1=CC(O)=CC(Br)=C1 Q67862 [0,2,0,0,0,0|2,0,0]=4 1065 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 O28043 [0,2,0,0,0,0|2,0,0]=4 1066 B11R1.266 C#CC1=CC(C(C)=O)=CC=C1 O28811 [0,2,0,0,0,0|2,0,0]=4 1067 B11R1.266 C#CC1=CC(C(N)=O)=CC=C1 M23346 [0,2,0,0,0,0|1,0,0]=3 1068 B11R1.266 C=CC1=CC(C(=O)O)=CC=C1 P39070 [0,2,0,0,0,0|2,0,0]=4 1069 B11R1.266 CCC1=CC(C(=O)O)=CC=C1 P37036 [0,2,0,0,0,0|2,0,0]=4 1070 B11R1.266 CNC1=CC(C(=O)O)=CC=C1 P37710 [0,2,0,0,0,0|2,0,0]=4 1071 B11R1.266 COC1=CC(C(=O)O)=CN=C1 Q67568 [0,2,0,0,0,0|1,0,0]=3 1072 B11R1.266 COC1=NN=CC(C(=O)O)=C1 L14279 [0,2,0,0,0,0|2,0,0]=4 1073 B11R1.266 CSC1=CN=CC(C(=O)O)=C1 N26072 [0,2,0,0,0,0|1,0,0]=3 1074 B11R1.266 N#CC1=CC(C(N)=O)=CC=C1 P38673 [0,2,0,0,0,0|1,0,0]=3 1075 B11R1.266 NC(=O)C1=CC(CBr)=CN=C1 Q66568 [0,2,0,0,0,0|0,0,0]=2 1076 B11R1.266 NC(=O)C1=CC=CC(C=O)=C1 P41901 [0,2,0,0,0,0|1,0,0]=3 1077 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 10633 [0,2,0,0,0,0|2,0,0]=4 1078 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 O28911 [0,2,0,0,0,0|2,0,0]=4 1079 B11R1.266 NCC1=CC(C(N)=O)=CC=C1 O28730 [0,2,0,0,0,0|1,0,0]=3 1080 B11R1.266 NCC1=CC(C(N)=O)=NC=C1 Q62435 [0,2,0,0,0,0|2,0,0]=4 1081 B11R1.266 O=C(O)C1=CC=CC(CS)=C1 P39077 [0,2,0,0,0,0|2,0,0]=4 1082 B9R1.69 O=C1NC(Cl)=NC=C1I Q53553 [0,0,1,1,0,0|2,0,0]=4 1083 B11R2.10 BrC1=CC2=C(C=CC=N2)N1 P49186 [0,0,0,1,0,1|2,0,0]=4 1084 B11R2.10 BrC1=CC2=C(C=CN=C2)N1 P49188 [0,0,0,1,0,1|1,0,0]=3 1085 B11R2.10 BrC1=CC2=C(C=NC=C2)N1 P44964 [0,0,0,1,0,1|2,0,0]=4 1086 B11R2.10 BrC1=CC2=C(C=NC=C2)S1 O30270 [0,0,0,1,0,1|2,0,0]=4 1087 B11R2.10 BrC1=CC2=C(N=CC=C2)N1 P49844 [0,0,0,1,0,1|1,0,0]=3 1088 B11R2.10 BrC1=CC2=CN=CN=C2N1 O33449 [0,0,0,1,0,1|2,0,0]=4 1089 B11R2.10 BrC1=CC2=NC=CC=C2O1 Q64356 [0,0,0,1,0,1|2,0,0]=4 1090 B11R2.10 BrC1=NC2=C(C=NC=C2)N1 O33095 [0,0,0,1,0,1|1,0,1]=4 1091 B11R2.10 BrC1=NC2=CC=CN=C2N1 O33203 [0,0,0,1,0,1|1,0,0]=3 1092 B11R2.10 CC1=CC2=C(C=CN=C2)N1 L13043 [0,0,0,1,0,1|1,0,0]=3 1093 B11R2.10 CC1=CC2=C(C=NC=C2)N1 O33438 [0,0,0,1,0,1|2,0,0]=4 1094 B11R2.10 CC1=CC2=C(N=CC=N2)N1 P48847 [0,0,0,1,0,1|2,0,0]=4 1095 B11R2.10 CC1=CC2=C(N=CN=C2)N1 G-7828 [0,0,0,1,0,1|2,0,0]=4 1096 B11R2.10 CC1=CC2=CC=CN=C2N1 C-3671 [0,0,0,1,0,1|1,0,0]=3 1097 B11R2.10 CC1=CC2=NC=CC=C2N1 O32885 [0,0,0,1,0,1|2,0,0]=4 1098 B11R2.10 CC1=NC2=C(C=CN=C2)O1 O34256 [0,0,0,1,0,1|1,0,1]=4 1099 B11R2.10 ClC1=CC2=CC=CC=C2N1 D-2538 [0,0,0,1,0,1|2,0,0]=4 1100 B11R2.10 ClC1=CC2=CC=CN=C2N1 P49655 [0,0,0,1,0,1|1,0,0]=3 1101 B11R2.10 IC1=CC2=C(C=CC=N2)N1 P49277 [0,0,0,1,0,1|2,0,0]=4 1102 B11R2.10 IC1=CC2=C(C=CN=C2)N1 P49273 [0,0,0,1,0,1|1,0,0]=3 1103 B11R2.10 IC1=CC2=C(C=NC=C2)N1 P49272 [0,0,0,1,0,1|2,0,0]=4 1104 B11R2.10 IC1=CC2=CC=CN=C2N1 G-6477 [0,0,0,1,0,1|1,0,0]=3 1105 B11R2.10 IC1=CC2=CN=CN=C2N1 O32953 [0,0,0,1,0,1|2,0,0]=4 1106 B11R2.10 NC1=CC2=C(C=CC=C2)N1 O29924 [0,0,0,1,0,1|2,0,0]=4 1107 B11R2.10 NC1=NC2=CC=CC=C2S1 O30669 [0,0,0,1,0,1|1,1,0]=4 1108 B11R2.10 NC1=NC2=NC=CC=C2S1 L21559 [0,0,0,1,0,1|1,0,0]=3 1109 B11R2.10 O=C1CC2=C(C=NC=C2)N1 L14128 [0,0,0,1,0,1|1,0,0]=3 1110 B11R2.10 O=C1CC2=CC=CN=C2N1 C-2476 [0,0,0,1,0,1|0,0,0]=2 1111 B11R2.10 O=C1CC2=CC=CN=C2N1 C-2476-01 [0,0,0,1,0,1|0,0,0]=2 1112 B11R2.10 O=C1CC2=CC=NC=C2N1 C-2345 [0,0,0,1,0,1|1,0,0]=3 1113 B11R2.10 O=C1CC2=CN=CC=C2N1 C-3239 [0,0,0,1,0,1|0,0,0]=2 1114 B11R2.10 O=C1CC2=CN=CN=C2N1 L13290 [0,0,0,1,0,1|1,0,0]=3 1115 B11R2.10 O=C1CC2=NC=CC=C2N1 C-2343 [0,0,0,1,0,1|1,0,0]=3 1116 B11R2.10 O=C1NC2=C(C=NC=C2)N1 Q65490 [0,0,0,1,0,1|0,0,0]=2 1117 B11R2.10 O=C1NC2=CC=CN=C2N1 Q70155 [0,0,0,1,0,1|0,0,0]=2 1118 B11R2.1 BrC1=CNC2=CC=NC=C12 C-3753 [0,1,0,1,0,0|1,0,0]=3 1119 B11R2.1 BrC1=CNC2=NC=CC=C12 C-3432 [0,1,0,1,0,0|1,0,0]=3 1120 B11R2.1 BrC1=CNC2=NC=CN=C12 C-3510 [0,1,0,1,0,0|2,0,0]=4 1121 B11R2.1 BrC1=CNC2=NC=NC=C12 C-2794 [0,1,0,1,0,0|2,0,0]=4 1122 B11R2.1 BrC1=CSC2=C1C=NC=C2 O31384 [0,1,0,1,0,0|1,1,0]=4 1123 B11R2.1 BrC1=NNC2=C1N=CC=N2 I-9461 [0,1,0,1,0,0|2,0,0]=4 1124 B11R2.1 BrC1=NNC2=CC=CC=C21 C-2069 [0,1,0,1,0,0|2,0,0]=4 1125 B11R2.1 BrC1=NNC2=CC=NC=C21 C-3536 [0,1,0,1,0,0|1,0,0]=3 1126 B11R2.1 BrC1=NNC2=NC=CC=C12 C-2211 [0,1,0,1,0,0|1,0,0]=3 1127 B11R2.1 CC1=CNC2=C1C=CC=C2 I-9262 [0,1,0,1,0,0|2,0,0]=4 1128 B11R2.1 CC1=CNC2=C1C=NC=C2 L21593 [0,1,0,1,0,0|1,0,0]=3 1129 B11R2.1 CC1=CNC2=C1N=CC=N2 P44096 [0,1,0,1,0,0|2,0,0]=4 1130 B11R2.1 CC1=CNC2=NC=CC=C12 G-5971 [0,1,0,1,0,0|1,0,0]=3 1131 B11R2.1 CC1=NNC2=C1C=CC=C2 C-2144 [0,1,0,1,0,0|2,0,0]=4 1132 B11R2.1 CC1=NNC2=C1C=NC=C2 L13764 [0,1,0,1,0,0|1,0,0]=3 1133 B11R2.1 CC1=NNC2=C1N=CC=N2 C-2877 [0,1,0,1,0,0|2,0,0]=4 1134 B11R2.1 CC1=NNC2=NC=CC=C12 C-3338 [0,1,0,1,0,0|1,0,0]=3 1135 B11R2.1 ClC1=CNC2=C1C=CC=C2 L14683 [0,1,0,1,0,0|2,0,0]=4 1136 B11R2.1 ClC1=CNC2=C1C=CC=N2 G-5301 [0,1,0,1,0,0|1,0,0]=3 1137 B11R2.1 ClC1=NNC2=NC=CC=C12 I-9325 [0,1,0,1,0,0|1,0,0]=3 1138 B11R2.1 FC1=CNC2=NC=CC=C12 L14272 [0,1,0,1,0,0|1,0,0]=3 1139 B11R2.1 FC1=CNC2=NC=NC=C12 Q55152 [0,1,0,1,0,0|2,0,0]=4 1140 B11R2.1 IC1=CNC2=CC=NC=C12 C-3752 [0,1,0,1,0,0|1,0,0]=3 1141 B11R2.1 IC1=CNC2=NC=CC=C12 A-822 [0,1,0,1,0,0|1,0,0]=3 1142 B11R2.1 IC1=CNC2=NC=CN=C12 G-5210 [0,1,0,1,0,0|2,0,0]=4 1143 B11R2.1 IC1=NNC2=C1C=CC=C2 Q67919 [0,1,0,1,0,0|2,0,0]=4 1144 B11R2.1 IC1=NNC2=CC=NC=C21 P48604 [0,1,0,1,0,0|1,0,0]=3 1145 B11R2.1 IC1=NNC2=NC=CC=C12 C-3230 [0,1,0,1,0,0|1,0,0]=3 1146 B11R2.1 NC1=CNC2=C1C=CC=C2 O32345 [0,1,0,1,0,0|2,0,0]=4 1147 B11R2.1 NC1=CNC2=C1C=CC=C2 O32346 [0,1,0,1,0,0|2,0,0]=4 1148 B11R2.1 NC1=CNC2=C1C=NC=C2 O31551 [0,1,0,1,0,0|1,0,0]=3 1149 B11R2.1 NC1=CNC2=C1N=CC=N2 P47985 [0,1,0,1,0,0|2,0,0]=4 1150 B11R2.1 NC1=CNC2=NC=CC=C12 O31595 [0,1,0,1,0,0|1,0,0]=3 1151 B11R2.1 NC1=CNC2=NC=CC=C12 P44547 [0,1,0,1,0,0|1,0,0]=3 1152 B11R2.1 NC1=CSC2=C1C=NC=C2 O31045 [0,1,0,1,0,0|0,1,0]=3 1153 B11R2.1 NC1=CSC2=CC=CC=C12 O29978 [0,1,0,1,0,0|1,1,0]=4 1154 B11R2.1 NC1=CSC2=NC=CC=C12 O31075 [0,1,0,1,0,0|0,1,0]=3 1155 B11R2.1 NC1=NNC2=C1C=CC=C2 P35582 [0,1,0,1,0,0|2,0,0]=4 1156 B11R2.1 NC1=NNC2=C1C=NC=C2 10128 [0,1,0,1,0,0|1,0,0]=3 1157 B11R2.1 NC1=NNC2=NC=CC=C12 C-2210 [0,1,0,1,0,0|1,0,0]=3 1158 B11R2.1 NC1=NOC2=C1C=NC=C2 K10866 [0,1,0,1,0,0|0,0,1]=3 1159 B11R2.1 O=C1CCC2=NC=CC=C12 G-6870 [0,1,0,1,0,0|1,0,0]=3 1160 B11R2.1 O=C1NCC2=C1C=CC=C2 I-9101 [0,1,0,1,0,0|1,0,0]=3 1161 B11R2.1 O=C1NCC2=C1CC=CC2 L18214 [0,1,0,1,0,0|1,0,1]=4 1162 B11R2.1 O=C1NCC2=CC=NC=C12 C-2838 [0,1,0,1,0,0|0,0,0]=2 1163 B11R2.1 O=C1SNC2=CC=CC=C12 L18705 [0,1,0,1,0,0|1,0,0]=3 1164 B11R2.1 OC1=CNC2=CC=CC=C12 Q52523 [0,1,0,1,0,0|1,0,1]=4 1165 B11R2.40 NC1(C2=CC=CN=C2)CC1 P37810 [0,1,0,1,0,0|1,0,1]=4 1166 B7R1.1 C(=O)C1=CN=CS1 Q52103 [1,0,0,0,1,0|1,0,0]=3 1167 B7R1.1 C=CC1=CN=CN1 O30402 [1,0,0,0,1,0|2,0,0]=4 1168 B7R1.1 C=CC1=NNC=C1 L18271 [1,0,0,0,1,0|2,0,0]=4 1169 B7R1.1 NCC1=CC=NN1 O30495 [1,0,0,0,1,0|1,0,1]=4 1170 B7R1.1 NCC1=CN=CN1 L14627 [1,0,0,0,1,0|1,0,1]=4 1171 B7R1.1 NCC1=CN=CO1 L14202 [1,0,0,0,1,0|1,0,1]=4 1172 B7R1.1 NCC1=CN=CS1 G-7859 [1,0,0,0,1,0|1,0,1]=4 1173 B7R1.1 NCC1=CN=CS1 L18064 [1,0,0,0,1,0|1,0,1]=4 1174 B7R1.1 NCC1=CN=CS1 O30515 [1,0,0,0,1,0|1,0,1]=4 1175 B7R1.1 NCC1=CNC=N1 O30218 [1,0,0,0,1,0|1,0,1]=4 1176 B7R1.1 NCC1=CNN=C1 G-6808 [1,0,0,0,1,0|1,0,1]=4 1177 B7R1.1 NCC1=CNN=C1 L13681 [1,0,0,0,1,0|1,0,1]=4 1178 B7R1.1 NCC1=CNN=C1 Q51915 [1,0,0,0,1,0|1,0,1]=4 1179 B7R1.1 NCC1=COC=C1 O34052 [1,0,0,0,1,0|1,0,1]=4 1180 B7R1.1 NCC1=COC=N1 G-6098 [1,0,0,0,1,0|1,0,1]=4 1181 B7R1.1 NCC1=COC=N1 G-6099 [1,0,0,0,1,0|1,0,1]=4 1182 B7R1.1 NCC1=CON=C1 L14503 [1,0,0,0,1,0|1,0,1]=4 1183 B7R1.1 NCC1=CSC=N1 L14160 [1,0,0,0,1,0|1,0,1]=4 1184 B7R1.1 NCC1=NC=CS1 G-7857 [1,0,0,0,1,0|1,0,1]=4 1185 B7R1.1 NCC1=NC=CS1 G-7858 [1,0,0,0,1,0|1,0,1]=4 1186 B7R1.1 NCC1=NOC=C1 G-6132 [1,0,0,0,1,0|1,0,1]=4 1187 B7R1.1 NCC1=NOC=C1 L14199 [1,0,0,0,1,0|1,0,1]=4 1188 B7R1.1 O=CC1=CN=CO1 I-9061 [1,0,0,0,1,0|1,0,0]=3 1189 B7R1.1 O=CC1=CNN=C1 C-2878 [1,0,0,0,1,0|1,0,0]=3 1190 B7R1.1 O=CC1=CNN=C1 G-5044 [1,0,0,0,1,0|1,0,0]=3 1191 B7R1.1 O=CC1=COC=N1 K12239 [1,0,0,0,1,0|1,0,0]=3 1192 B7R1.1 O=CC1=CSC=N1 Q68013 [1,0,0,0,1,0|1,0,0]=3 1193 B7R1.1 O=CC1=NNC=C1 O31194 [1,0,0,0,1,0|1,0,0]=3 1194 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P40366 [0,0,0,0,0,2|2,0,0]=4 1195 B11R1.91 NC(=O)COC1=CC=CC=C1 P51047 [0,0,0,0,0,2|1,0,0]=3 1196 B11R1.91 O=C(O)CCC1=CC=CN=C1 P38473 [0,0,0,0,0,2|1,0,0]=3 1197 B11R1.91 O=C(O)CCC1=CC=NN=C1 O33206 [0,0,0,0,0,2|2,0,0]=4 1198 B11R1.91 O=C(O)CCC1=NN=CC=C1 P45064 [0,0,0,0,0,2|2,0,0]=4 1199 B11R1.91 O=C(O)COC1=CC=CN=C1 P35673 [0,0,0,0,0,2|1,0,0]=3 1200 B11R1.91 O=C(O)\C=C\C1=CN=CN=C1 Q60664 [0,0,0,0,0,2|2,0,0]=4