0 B10R1.13 CC(=O)C1=CC=C(F)N=C1 P35858 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 Q67245 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.13 CC(=O)C1=CN=C(C)C=C1 M15462 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.13 CC(=O)C1=CN=C(C)N=C1 H-8030 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 Q54991 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.13 CC(=O)C1=CN=C(N)C=C1 Q55451 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 O30755 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.13 CC(=O)C1=NC=C(C)C=C1 O31151 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 CC(=O)C1=NC=C(C)C=N1 O31005 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.13 CC(=O)C1=NC=C(C)N=C1 F-4678 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 P34872 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 O30416 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.13 CC(=O)C1=NC=C(F)C=C1 O30491 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 L13130 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.13 CC(=O)C1=NN=C(O)C=C1 P51623 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.13 CC(Br)C1=CC=C(Br)C=C1 P51612 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.13 CC(Br)C1=CC=C(Cl)C=C1 M23061 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.13 CC(C)C1=CN=C(N)C=C1 O34069 [0,0,0,0,0,0|1,0,2]=3 18 B10R1.13 CC(C)C1=CN=C(N)N=C1 Q52535 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.13 CC(C)C1=NN=C(Br)C=C1 P51559 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 P36954 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.13 CC(O)C1=CC=C(Cl)N=C1 P39514 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.13 CC(O)C1=CC=C(N)C=C1 P41199 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.13 CC(O)C1=CC=C(O)C=C1 P39467 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.13 CC(O)C1=CN=C(Br)C=C1 N26195 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.13 CC(O)C1=CN=C(Cl)N=C1 L14659 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.13 CC1=CC=C(C(C)Br)C=C1 M23020 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.13 CC1=CC=C(C(C)O)C=N1 P43130 [0,0,0,0,0,0|1,0,1]=2 28 B10R1.13 CC1=CN=C(C(=O)O)C=N1 G-7280 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.13 CC1=NC=C(B(O)O)C=C1 Q66950 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.13 CC1=NC=C(B(O)O)C=N1 L21803 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.13 CC1=NC=C(C(=O)O)C=N1 P44549 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 I-9184 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.13 CC1=NC=C([N+](=O)[O-])C=N1 L13164 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.13 CN(C)C1=CC=C(Br)N=C1 O30431 [0,0,0,0,0,0|2,0,1]=3 35 B10R1.13 CN(C)C1=NC=C(Cl)N=C1 O29544 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.13 C[C@@H](N)C1=CN=C(Cl)N=C1 F-4669 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.13 C[C@@H](O)C1=CC=C(Br)N=C1 Q64116 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.13 C[C@H](O)C1=CC=C(Br)N=C1 Q64115 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.13 N=C(N)C1=CC=C(Br)N=C1 Q52330 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.13 N=C(N)C1=CN=C(F)C=C1 G-5718 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.13 NC(=O)C1=CC=C(Br)N=C1 P35365 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.13 NC(=O)C1=CC=C(F)N=C1 Q58490 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.13 NC(=O)C1=NN=C(Cl)C=C1 O31863 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.13 NC(=O)C1=NN=C(N)C=C1 G-7026 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.13 NC1=CC=C(B(O)O)C=N1 G-5207 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.13 NC1=CC=C(C(F)F)C=N1 Q62377 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.13 NC1=CN=C(C(=O)O)C=N1 10608 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.13 NC1=NC=C(C(=O)O)C=C1 C-3709 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.13 NC1=NN=C(C(=O)O)C=C1 G-5218 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.13 O=C(O)C1=CC=C(F)N=C1 E-3040 [0,0,0,0,0,0|3,0,0]=3 51 B10R1.13 O=C(O)C1=CC=C(O)N=N1 C-2295 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 Q64836 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 G-5309 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.13 O=C(O)C1=CN=C(O)N=C1 O31007 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 Q52548 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 B-1219 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 L14250 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 B-1753 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.13 O=[N+]([O-])C1=CC=C(Br)N=C1 E-3076 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.13 OB(O)C1=CC=C(O)N=C1 Q68881 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.13 OB(O)C1=CN=C(F)C=C1 P51343 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.1 BrCC1=CN=C(Br)C=C1 M23057 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.1 C#CC1=CN=C(F)C=C1 M22879 [1,0,0,0,0,0|1,0,2]=4 64 B9R1.1 C#CC1=NC=C(C)N=C1 O31336 [1,0,0,0,0,0|1,0,2]=4 65 B9R1.1 C(=O)C1=CN=C(Cl)C=C1 E-3026 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.1 C(=O)C1=CN=C(Cl)N=C1 C-3437 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.1 C=CC1=CN=C(Br)C=C1 Q62407 [1,0,0,0,0,0|1,0,0]=2 68 B9R1.1 C=CC1=CN=C(C)C=C1 L13585 [1,0,0,0,0,0|0,0,0]=1 69 B9R1.1 C=CC1=CN=C(Cl)N=C1 L14152 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.1 C=CC1=CN=C(F)C=C1 L14939 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.1 C=CC1=CN=C(F)C=C1 O29601 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.1 C=CC1=NC=C(Cl)C=C1 O33380 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.1 CC1=CC=C(C#N)N=N1 C-2829 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.1 CC1=CC=C(CN)C=N1 C-3518 [1,0,0,0,0,0|1,0,1]=3 75 B9R1.1 CC1=CC=C(CN)N=N1 C-3426 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.1 CC1=CC=C(CO)C=N1 H-8186 [1,0,0,0,0,0|1,0,1]=3 77 B9R1.1 CC1=CN=C(C=O)C=C1 Q67276 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.1 CC1=CN=C(C=O)C=N1 O30472 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.1 CC1=CN=C(CCl)C=N1 G-7947 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.1 CC1=CN=C(CCl)C=N1 O31027 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.1 CC1=CN=C(CN)C=N1 L14005 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.1 CC1=NC=C(C#N)C=N1 I-9501 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.1 CC1=NC=C(C=O)C=C1 C-2363 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.1 CC1=NC=C(C=O)C=N1 A-729 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.1 CC1=NC=C(CCl)C=N1 L22051 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.1 CC1=NC=C(CCl)C=N1 M15157 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.1 CC1=NC=C(CN)C=N1 C-2844 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.1 CC1=NC=C(CN)N=C1 P50562 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.1 CC1=NC=C(CO)C=N1 A-728 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.1 CC1=NN=C(CN)C=C1 I-9402 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.1 CCC1=CC=C(Br)N=C1 Q57112 [1,0,0,0,0,0|1,0,1]=3 92 B9R1.1 CCC1=CC=C(Cl)N=C1 Q57111 [1,0,0,0,0,0|1,0,1]=3 93 B9R1.1 CCC1=CN=C(Cl)N=C1 G-6620 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.1 CNC1=CC=C(Br)N=C1 Q65482 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.1 CNC1=CC=C(I)C=C1 P37124 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.1 CNC1=CC=C(N)C=C1 P37009 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.1 CNC1=CC=C(N)N=C1 Q58290 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.1 CNC1=CC=C(N)N=C1 Q58291 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.1 CNC1=CC=C(O)C=C1 P41056 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.1 COC1=CN=C(Br)C=C1 Q67224 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.1 COC1=CN=C(Br)C=N1 O34252 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.1 COC1=CN=C(Br)N=C1 G-6823 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.1 COC1=CN=C(Cl)C=C1 Q67222 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.1 COC1=CN=C(Cl)N=C1 I-9250 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.1 COC1=CN=C(F)C=C1 N24701 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.1 COC1=CN=C(I)N=C1 Q53690 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.1 COC1=CN=C(N)C=C1 G-7588 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.1 COC1=CN=C(N)C=N1 O31841 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.1 COC1=CN=C(N)N=C1 G-5676 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.1 COC1=NC=C(C)C=C1 Q67071 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.1 COC1=NN=C(N)C=C1 P36408 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.1 CSC1=CN=C(Br)C=C1 N24931 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.1 CSC1=CN=C(F)C=C1 N26916 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.1 CSC1=NC=C(C)C=C1 N24295 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.1 ClCC1=CN=C(Br)C=C1 O34227 [1,0,0,0,0,0|2,0,1]=4 116 B9R1.1 FC1=NC=C(CBr)C=C1 G-6035 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.1 FC1=NC=C(CCl)C=C1 F-4121 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.1 N#CC1=CC=C(F)N=C1 G-6861 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.1 N#CC1=CN=C(Cl)C=C1 G-6936 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.1 NC1=CC=C(C=O)C=N1 L13611 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.1 NC1=CN=C(C=O)C=N1 P51620 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.1 NC1=NC=C(CO)C=C1 E-3098 [1,0,0,0,0,0|2,0,1]=4 123 B9R1.1 NCC1=CN=C(Cl)C=C1 C-3459 [1,0,0,0,0,0|2,0,1]=4 124 B9R1.1 NCC1=CN=C(F)C=C1 L18071 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.1 NCC1=CN=C(N)C=C1 Q62313 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.1 NNC1=CC=C(F)N=C1 O32377 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.1 NNC1=CN=C(F)C=C1 Q52569 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 O=CC1=CN=C(Br)N=C1 Q53659 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.1 O=CC1=CN=C(F)C=C1 P50975 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.1 O=CC1=NC=C(Cl)N=C1 I-9606 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.1 O=CC1=NN=C(Cl)C=C1 G-7962 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.1 O=CC1=NN=C(O)C=C1 O30370 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.1 OCC1=CC=C(Br)N=C1 O34239 [1,0,0,0,0,0|2,0,1]=4 134 B9R1.1 OCC1=CC=C(F)N=C1 O30867 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.6 CC(=O)C1=CC=CN=C1 P44672 [1,0,0,0,0,0|1,0,0]=2 136 B9R1.6 CC(=O)C1=CC=NN=C1 G-6740 [1,0,0,0,0,0|2,0,0]=3 137 B9R1.6 CC(=O)C1=CN=CN=C1 G-5167 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.6 CC(=O)C1=NN=CC=C1 C-2755 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.6 CC(N)C1=CC=NN=C1 G-7533 [1,0,0,0,0,0|2,0,1]=4 140 B9R1.6 CC(N)C1=CC=NN=C1 L13924 [1,0,0,0,0,0|2,0,1]=4 141 B9R1.6 CC(N)C1=CN=CN=C1 G-5168 [1,0,0,0,0,0|2,0,1]=4 142 B9R1.6 CC(N)C1=CN=CN=C1 Q51812 [1,0,0,0,0,0|2,0,1]=4 143 B9R1.6 CC(O)C1=CN=CN=C1 Q55478 [1,0,0,0,0,0|2,0,1]=4 144 B9R1.6 C[C@@H](N)C1=CN=CC=C1 Q54675 [1,0,0,0,0,0|1,0,1]=3 145 B9R1.6 C[C@@H](N)C1=CN=CN=C1 I-9747 [1,0,0,0,0,0|2,0,1]=4 146 B9R1.6 C[C@H](N)C1=CN=CN=C1 Q51933 [1,0,0,0,0,0|2,0,1]=4 147 B9R1.6 O=C(O)C1=CC=CN=N1 C-2266 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.6 O=C(O)C1=CC=NN=C1 C-3207 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.6 O=C(O)C1=CN=CC=N1 C-3429 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.6 O=C(O)C1=CN=CN=C1 C-3274 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.6 O=S([O-])C1=CC=CN=C1 O32481 [1,0,0,0,0,0|3,0,0]=4 152 B11R1.3 C#CC1=CC=C(C(=O)O)C=N1 Q53214 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 O27991 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 L20737 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 P36753 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.3 CC(N)C1=CC=C(CO)C=C1 P38103 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.3 CCC1=CC=C(C(C)=O)C=N1 Q53712 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.3 CCC1=CC=C(C(C)N)C=C1 P41160 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.3 CCC1=CC=C(C(C)O)C=C1 M22873 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.3 CCC1=CN=C(C(=O)O)C=N1 P43454 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 Q60524 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.3 CN(C)C1=CC=C(CN)C=C1 P40156 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.3 CN(C)C1=CC=C(CO)C=C1 O28119 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.3 CN(C)C1=CN=C(C=O)C=C1 O29290 [0,1,0,0,0,0|1,0,2]=4 165 B11R1.3 CN(C)C1=CN=C(CN)N=C1 Q56481 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.3 CNC1=CC=C(B(O)O)C=N1 Q53819 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.3 CNC1=CC=C(N(C)C)C=C1 P37575 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.3 COC1=CC=C(C(N)=S)C=N1 O31104 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.3 COC1=CN=C(C(=O)O)C=N1 O31701 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.3 COC1=NC=C(C(=O)O)C=N1 Q67508 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.3 COC1=NN=C(C(=O)O)C=C1 L22364 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.3 CSC1=NC=C(B(O)O)C=C1 Q66559 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.3 CSC1=NC=C(C(=O)O)C=C1 N24630 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.3 N#CC1=NC=C(C(=O)O)C=C1 E-3027 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.3 NCC1=CC=C(C(F)F)C=N1 Q54431 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 O28757 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 G-5405 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.3 O=C(O)C1=CC=C(CO)N=C1 P44354 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.3 O=C(O)C1=CC=C(CS)C=C1 P38363 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.3 O=CC1=CC=C(C(=O)O)C=N1 Q62284 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.3 OCC1=NC=C(B(O)O)C=C1 N25937 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.19 CC(C)(C)C1=CC=C(Br)N=C1 P49742 [0,1,0,0,0,0|1,0,2]=4 183 B11R1.19 CC(C)(C)C1=CC=C(N)N=C1 Q52925 [0,1,0,0,0,0|1,0,2]=4 184 B11R1.19 CC(C)(C)C1=CN=C(Cl)C=C1 P49958 [0,1,0,0,0,0|1,0,2]=4 185 B11R1.19 CC(C)(O)C1=CC=C(N)N=C1 Q53407 [0,1,0,0,0,0|1,0,2]=4 186 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 P36818 [0,1,0,0,0,0|1,0,2]=4 187 B11R1.19 CC1=CC=C(C(C)(C)N)C=N1 Q58436 [0,1,0,0,0,0|0,0,2]=3 188 B11R1.19 CC1=CC=C(C(C)(C)O)C=N1 O33635 [0,1,0,0,0,0|0,0,2]=3 189 B11R1.19 CC1=CC=C(S(=O)(=O)Cl)C=N1 Q54175 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.19 CC1=CC=C(S(N)(=O)=O)C=N1 Q58484 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.21 CC(=O)C1=CC(Cl)=C(C)N=C1 O29923 [0,1,0,0,0,0|1,0,0]=2 192 B11R1.21 CC(=O)C1=CC=C(Br)C(Cl)=C1 M15796 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.21 CC(=O)C1=CC=C(Cl)C(Br)=C1 Q66292 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.21 CC(=O)C1=CC=C(F)C(O)=C1 N25331 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.21 CC1=C(C)N=CC(B(O)O)=C1 Q68883 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=N1 Q60858 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.21 CC1=C(O)C=C(C(=O)O)C=N1 Q60795 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.21 CC1=C(O)N=CC(C(=O)O)=C1 L19518 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.21 CC1=CC(C(=O)O)=CN=C1Br Q66669 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.21 CC1=CC(C(=O)O)=CN=C1C Q68802 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.21 CC1=CC(C(=O)O)=CN=C1C Q69971 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.21 CC1=CC(C(=O)O)=CN=C1Cl N25124 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.21 CC1=CC(C(=O)O)=CN=C1F Q66670 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.21 CC1=CC=C(C(C)O)C=C1C M22902 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.21 CC1=CC=C(N(C)C)C=C1Br N25454 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.21 CC1=NC=C(C(=O)O)C=C1Br P51094 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.21 CC1=NC=C(C(=O)O)C=C1N G-6537 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.21 CC1=NC=C([N+](=O)[O-])C=C1Br C-2417 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.21 CC1=NC=C([N+](=O)[O-])C=C1N G-6572 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.21 CC1=NC=C([N+](=O)[O-])C=C1O Q56568 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.21 NC(=O)C1=CC(F)=C(Cl)N=C1 O29836 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.21 NC1=C(O)C=C(C(=O)O)C=N1 L19943 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)N=C1 C-3764 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.21 O=C(O)C1=CC(F)=C(Cl)N=C1 O31712 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 L13055 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 P40808 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 P37504 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.22 CC1=CC=C(C(=O)NN)C=N1 P40085 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.22 CC1=CC=C(C(N)CO)C=C1 P40922 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.22 CC1=CC=C(C(O)CN)C=C1 P37591 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 P36899 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 P38803 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.22 CC1=NC=C(C(=O)CBr)C=C1 Q52597 [0,1,0,0,0,0|1,0,0]=2 224 B11R1.22 CNC(=O)C1=CC=C(Br)N=C1 P35629 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.22 CNC(=O)C1=CC=C(N)N=C1 S72671 [0,1,0,0,0,0|2,0,0]=3 226 B11R1.22 COC(=O)C1=CC=C(Br)N=C1 C-3212 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 C-3291 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.22 COC(=O)C1=CC=C(O)N=N1 C-2379 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.22 COC(=O)C1=CC=C(S)N=C1 H-8392 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 Q64835 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.22 COC(=O)C1=CN=C(C)N=C1 L13555 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 C-2772 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.22 COC(=O)C1=CN=C(F)C=C1 Q66489 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.22 COC(=O)C1=CN=C(N)C=N1 C-3306 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.22 COC(=O)C1=CN=C(O)C=C1 G-5577 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 G-5538 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.22 COC(=O)C1=NC=C(N)N=C1 O31116 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.22 COC(=O)C1=NN=C(N)C=C1 G-5477 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 P40081 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.22 O=C(CF)C1=CC=C(Cl)C=C1 O31201 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 P35986 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.166 C=C(C)C1=CN=C(Cl)C=C1Cl O32627 [0,1,0,0,0,0|1,0,0]=2 243 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 O31353 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.166 CC(=O)C1=CC=C(C)C=C1Br P42929 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl O30258 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1N Q69764 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.166 CC(=O)C1=CC=C(N)C=C1Cl O32522 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl Q62398 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.166 CC(=O)C1=CN=C(Cl)N=C1Cl G-7473 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.166 CC(C)C1=CN=C(Cl)C=C1N O32387 [0,1,0,0,0,0|1,0,2]=4 251 B11R1.166 CC1=CC(Br)=NC=C1C(=O)O N26124 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.166 CC1=CC(Cl)=NC=C1C(=O)O N25656 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 Q60789 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.166 CC1=CC(F)=NC=C1C(=O)O Q67322 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.166 CC1=CC=C(B(O)O)C(C)=N1 Q68885 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.166 CC1=CC=C(B(O)O)C(F)=N1 N24294 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.166 CC1=CC=C(C(=O)O)C(N)=N1 L13612 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.166 CC1=CC=C(C(C)N)C(C)=C1 P42949 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.166 CC1=CC=C([N+](=O)[O-])C(Br)=N1 Q68874 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.166 CC1=CC=C([N+](=O)[O-])C(Cl)=N1 P37412 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.166 CC1=CC=C([N+](=O)[O-])C(F)=N1 P40144 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.166 CC1=CN=C(C(=O)O)C(O)=N1 K12278 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.166 CC1=NC(Br)=C(C(=O)O)C=N1 H-8399 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.166 CC1=NC(Br)=CC=C1C(=O)O N26103 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 P51309 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 Q60943 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.166 CC1=NC(Cl)=CC=C1C(=O)O N25033 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.166 CC1=NC(F)=C(C(=O)O)C=C1 N24616 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.166 CC1=NC(F)=CC=C1C(=O)O Q67993 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.166 CC1=NC(O)=C(B(O)O)C=C1 Q53802 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.166 CC1=NC(O)=CC=C1C(=O)O Q52564 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.166 CC1=NC=C(C(=O)O)C(C)=N1 O34423 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=C1 M15159 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 H-8401 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.166 CC1=NC=C([N+](=O)[O-])C(Cl)=C1 Q52097 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.166 NC(=O)C1=C(Cl)C=C(Cl)N=C1 H-8999 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.166 NC(=O)C1=C(N)N=C(Cl)C=C1 O32779 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.166 NC(=O)C1=CC=C(Cl)N=C1Cl Q67952 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.166 NC1=CC(Cl)=NC=C1C(=O)O I-9422 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.166 NC1=CC(F)=NC=C1C(=O)O G-7587 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.166 NC1=CC=C(C(=O)O)C(Br)=N1 Q64646 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.166 NC1=NC(Cl)=CC=C1C(=O)O C-2357 [0,1,0,0,0,0|3,0,0]=4 283 B11R1.166 NC1=NC(O)=CC=C1C(=O)O L19692 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.166 O=C(Cl)C1=CC=C(Cl)N=C1Cl Q67951 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)N=C1 F-4417 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.166 O=C(O)C1=C(Cl)N=C(Cl)C=C1 G-6764 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Br Q51864 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Cl N26004 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1F O30248 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl O32638 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.166 O=C(O)C1=CN=C(Br)C=C1I Q52323 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1I N27822 [0,1,0,0,0,0|3,0,0]=4 293 B11R2.34 CC1=CC=C(C2CN2)C=C1 P36371 [0,0,0,1,0,0|2,0,1]=4 294 B11R2.34 ClC1=NC=C(C2CC2)C=C1 Q67831 [0,0,0,1,0,0|1,0,2]=4 295 B11R2.34 FC1=NC=C(C2CC2)C=C1 N26245 [0,0,0,1,0,0|1,0,2]=4 296 B9R1.35 CC(=O)C1=CC(Br)=CS1 Q67343 [0,0,0,0,1,0|3,0,0]=4 297 B9R1.35 CC(=O)C1=CN(C)N=C1 O31882 [0,0,0,0,1,0|2,0,0]=3 298 B9R1.35 CC(=O)C1=CN=C(N)S1 L18220 [0,0,0,0,1,0|3,0,0]=4 299 B9R1.35 CC(=O)C1=CSC(Cl)=C1 G-5625 [0,0,0,0,1,0|3,0,0]=4 300 B9R1.35 CC(=O)C1=NC(Br)=CS1 Q68164 [0,0,0,0,1,0|3,0,0]=4 301 B9R1.35 CC(=O)C1=NC(C)=CO1 M15480 [0,0,0,0,1,0|2,0,0]=3 302 B9R1.35 CC(=O)C1=NC=C(C)S1 O31088 [0,0,0,0,1,0|3,0,0]=4 303 B9R1.35 CC(=O)C1=NN(C)C=C1 K12255 [0,0,0,0,1,0|2,0,0]=3 304 B9R1.35 CC(N)C1=CN(C)N=C1 I-9567 [0,0,0,0,1,0|2,0,1]=4 305 B9R1.35 CC(N)C1=CN(C)N=C1 O31760 [0,0,0,0,1,0|2,0,1]=4 306 B9R1.35 CC(O)C1=CN(C)N=C1 O30374 [0,0,0,0,1,0|2,0,1]=4 307 B9R1.35 CC(O)C1=NN(C)C=C1 Q62131 [0,0,0,0,1,0|2,0,1]=4 308 B9R1.35 CC1=CC(C(=O)O)=CN1 M15493 [0,0,0,0,1,0|2,0,1]=4 309 B9R1.35 CC1=CC(C(=O)O)=CS1 I-9860 [0,0,0,0,1,0|3,0,0]=4 310 B9R1.35 CC1=CC=C([C@@H](C)N)O1 P43691 [0,0,0,0,1,0|2,0,1]=4 311 B9R1.35 CC1=CNC(C(C)C)=N1 P51555 [0,0,0,0,1,0|1,0,2]=4 312 B9R1.35 CC1=COC(C(=O)O)=C1 O29596 [0,0,0,0,1,0|3,0,0]=4 313 B9R1.35 CC1=CSC(C(=O)O)=C1 G-7586 [0,0,0,0,1,0|3,0,0]=4 314 B9R1.35 CC1=CSC(C(C)N)=N1 O31672 [0,0,0,0,1,0|2,0,1]=4 315 B9R1.35 CC1=NC(C(N)=O)=CS1 O34426 [0,0,0,0,1,0|3,0,0]=4 316 B9R1.35 CC1=NC(C(N)=S)=CO1 O29664 [0,0,0,0,1,0|3,0,0]=4 317 B9R1.35 CC1=NOC(C(=O)O)=C1 O30705 [0,0,0,0,1,0|3,0,0]=4 318 B9R1.35 CN1C=C(C(=O)O)C=N1 G-5543 [0,0,0,0,1,0|3,0,0]=4 319 B9R1.35 CN1C=CC(C(=O)Cl)=N1 O30468 [0,0,0,0,1,0|3,0,0]=4 320 B9R1.35 CN1C=CC(C(=O)O)=N1 K12250 [0,0,0,0,1,0|3,0,0]=4 321 B11R1.20 CC(=O)NC1=CC=C(Br)N=C1 P38969 [0,0,0,0,0,1|2,0,0]=3 322 B11R1.20 CC(=O)NC1=CC=C(N)N=C1 Q58423 [0,0,0,0,0,1|2,0,0]=3 323 B11R1.20 CC(=O)NC1=CN=C(Cl)C=C1 L19034 [0,0,0,0,0,1|2,0,0]=3 324 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 P40160 [0,0,0,0,0,1|3,0,0]=4 325 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 P41430 [0,0,0,0,0,1|3,0,0]=4 326 B11R1.20 CC(C)OC1=CN=C(F)C=C1 N25011 [0,0,0,0,0,1|1,0,2]=4 327 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 P43234 [0,0,0,0,0,1|3,0,0]=4 328 B11R1.20 N=C(N)CC1=CC=C(F)N=C1 H-8033 [0,0,0,0,0,1|3,0,0]=4 329 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 Q62419 [0,0,0,0,0,1|3,0,0]=4 330 B11R1.20 O=C(O)CC1=CC=C(Br)N=C1 P38230 [0,0,0,0,0,1|3,0,0]=4 331 B8R1.2 BrCC1=CC=CN=C1 P36550 [2,0,0,0,0,0|1,0,1]=4 332 B8R1.2 C(=O)C1=CC=NN=C1 C-2212 [2,0,0,0,0,0|2,0,0]=4 333 B8R1.2 C(=O)C1=CN=CC=N1 C-2218 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.2 C(=O)C1=CN=CN=C1 A-903 [2,0,0,0,0,0|2,0,0]=4 335 B8R1.2 C(=O)C1=NN=CC=C1 C-2223 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.2 C=CC1=CC=CN=C1 O30687 [2,0,0,0,0,0|0,0,0]=2 337 B8R1.2 CNC1=CN=CN=C1 L13923 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.2 CNC1=NN=CC=C1 O29994 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.2 COC1=CN=CN=C1 M15459 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.2 NNC1=CC=CN=C1 C-3227 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.3 BrC1=CN=C(I)C=C1 G-5933 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.3 CC1=CC=C(F)C=N1 P38896 [2,0,0,0,0,0|1,0,0]=3 343 B8R1.3 CC1=CN=C(Br)C=N1 H-8301 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.3 CC1=CN=C(Cl)C=N1 O30352 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.3 CC1=CN=C(Cl)N=C1 E-3097 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.3 CC1=CN=C(I)C=C1 O29967 [2,0,0,0,0,0|1,0,0]=3 347 B8R1.3 CC1=CN=C(N)C=N1 P37475 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.3 CC1=NC=C(Br)C=N1 C-3601 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.3 CC1=NC=C(N)C=N1 G-6756 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.3 CC1=NC=C(O)C=N1 O33295 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.3 CC1=NN=C(Br)C=C1 G-5747 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.3 CC1=NN=C(Cl)C=C1 C-2759 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.3 CC1=NN=C(I)C=C1 G-5523 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.3 CC1=NN=C(N)C=C1 C-2322 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.3 CC1=NN=C(O)C=C1 C-2282 [2,0,0,0,0,0|2,0,0]=4 356 B8R1.3 CC1=NNC(=O)C=C1 I-9165 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.3 ClC1=CN=C(I)C=C1 P50959 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.3 ClC1=NC=C(I)C=C1 E-3038 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.3 FC1=CC=C(Br)N=C1 E-3090 [2,0,0,0,0,0|2,0,0]=4 360 B8R1.3 NC1=CC=C(O)C=N1 E-3088 [2,0,0,0,0,0|2,0,0]=4 361 B8R1.3 NC1=NC=C(Br)C=C1 G-5636 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.3 OC1=CC=C(Br)N=C1 C-3384 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.3 OC1=CN=C(Cl)C=C1 G-5339 [2,0,0,0,0,0|2,0,0]=4 364 B10R1.1 C=COC1=CC=C(Br)C=C1 N25160 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.1 CCCC1=CC=C(N)N=C1 Q52924 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.1 CNCC1=CC=C(Br)N=C1 P42296 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.1 CNCC1=CN=C(Cl)C=C1 P42297 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.1 COCC1=CN=C(Br)C=C1 N25975 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.1 NCCC1=CC=C(Cl)N=C1 P37543 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.3 C#CC1=CC=C(OC)N=C1 C-3464 [1,1,0,0,0,0|0,0,2]=4 371 B10R1.3 C#CC1=CN=C(NC)C=C1 M23226 [1,1,0,0,0,0|0,0,2]=4 372 B10R1.3 C(=O)C1=CN=C(SC)N=C1 L18112 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.3 C=CC1=CN=C(C#N)C=C1 O29761 [1,1,0,0,0,0|0,0,1]=3 374 B10R1.3 CCC1=CC=C(CO)C=C1 Q68223 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.3 CCC1=CN=C(CN)N=C1 Q52379 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.3 CCC1=NC=C(C=O)C=C1 Q60469 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.3 CNC1=CC=C(CO)C=C1 P40364 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.3 CNC1=NC=C(C=O)C=C1 Q55452 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.3 CNC1=NC=C(C=O)C=N1 Q61059 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.3 COC1=CC=C(C#N)C=N1 P40898 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.3 COC1=CC=C(CBr)C=C1 Q67503 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.3 COC1=CC=C(CBr)C=N1 N25219 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.3 COC1=CC=C(CN)N=C1 Q52335 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.3 COC1=CN=C(C#N)C=C1 G-6236 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.3 COC1=CN=C(C=O)C=C1 N24757 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.3 COC1=CN=C(C=O)C=N1 O29829 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.3 COC1=CN=C(CCl)C=C1 L13052 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.3 COC1=CN=C(CCl)N=C1 L22074 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.3 COC1=CN=C(CN)N=C1 P46510 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.3 COC1=CN=C(CN)N=C1 Q52333 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.3 COC1=CN=C(CO)C=C1 I-9706 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.3 COC1=CN=C(OC)C=C1 Q67646 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.3 COC1=NC=C(C=O)C=N1 Q67228 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.3 COC1=NC=C(CN)C=C1 C-3721 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.3 COC1=NC=C(CN)C=C1 G-6806 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.3 COC1=NC=C(CO)C=C1 C-3532 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.3 COC1=NN=C(OC)C=C1 Q67359 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.3 CSC1=NC=C(C=O)C=C1 N24581 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.3 CSC1=NC=C(CO)C=C1 N25545 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.3 N#CC1=CC=C(CCl)N=C1 Q54855 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.3 N#CC1=CN=C(CN)C=C1 L14637 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.3 N#CC1=CN=C(CN)C=C1 Q52612 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.3 N#CC1=CN=C(CN)C=C1 Q52613 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.3 N#CC1=NC=C(C=O)C=C1 P43460 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.3 O=CC1=CC=C(CBr)N=C1 Q62346 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.3 O=CC1=CC=C(CCl)C=C1 P45270 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.3 O=CC1=CC=C(CO)C=C1 P37667 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.25 C(=O)C1=CC=C(C)N=C1Br Q64554 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.25 C(=O)C1=CC=C(Cl)N=C1Cl C-2303 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.25 C(=O)C1=CC=C(N)N=C1Br Q64645 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.25 CC1=C(C=O)C=NC(Cl)=C1 N24678 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.25 CC1=CC(Br)=NC=C1C=O N26193 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.25 CC1=CC(C)=C(CN)C=N1 Q62835 [1,1,0,0,0,0|1,0,1]=4 414 B10R1.25 CC1=CC(F)=NC=C1C=O Q67340 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.25 CC1=CC(N)=C(C#N)C=N1 P44960 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.25 CC1=CC(O)=NC=C1C=O Q60311 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.25 CC1=CC=C(C#N)C(Br)=N1 L14166 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.25 CC1=CC=C(C#N)C(N)=N1 L22425 [1,1,0,0,0,0|1,0,1]=4 419 B10R1.25 CC1=CC=C(C=O)C(C)=N1 O30287 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.25 CC1=CC=C(C=O)C(F)=C1 Q67651 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.25 CC1=CC=C(C=O)C(N)=N1 O30127 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 Q64555 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.25 CC1=CC=C(CBr)C(Cl)=N1 O29880 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.25 CC1=CC=C(CN)C(Cl)=N1 O31295 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.25 CC1=CC=C(CO)C(C)=N1 O34216 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.25 CC1=CC=C(CO)C(Cl)=N1 Q52334 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.25 CC1=NC(Br)=CC=C1C=O N25138 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.25 CC1=NC(Cl)=CC=C1C=O Q67296 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.25 CC1=NC(F)=CC=C1C=O N26169 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.25 CC1=NC(O)=C(C=O)C=C1 Q60326 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.25 CC1=NC=C(C=O)C(N)=N1 H-8632 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.25 CNC1=CC=C(C)C=C1F P37822 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.25 COC1=C(Br)N=C(F)C=C1 N26207 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.25 COC1=C(Br)N=C(N)C=C1 O30533 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.25 COC1=C(Cl)N=C(N)C=C1 G-6967 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.25 COC1=CC=C(Br)N=C1C N24916 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.25 COC1=CC=C(Br)N=C1F N26001 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.25 COC1=CC=C(Br)N=C1N Q65385 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.25 COC1=CC=C(C)C=C1F Q67608 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.25 COC1=CC=C(C)N=C1Br Q67211 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.25 COC1=CC=C(C)N=C1F N26378 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.25 COC1=CC=C(Cl)N=C1Cl N25563 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.25 COC1=CC=C(F)N=C1C N26375 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.25 COC1=CC=C(I)N=C1Br Q67215 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.25 COC1=CN=C(Br)C=C1N Q65374 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.25 COC1=CN=C(Cl)C=C1C Q67505 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.25 COC1=CN=C(Cl)C=C1N Q69333 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.25 COC1=CN=C(F)C=C1Br N25531 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.25 COC1=CN=C(F)C=C1C N24782 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.25 COC1=CN=C(F)C=C1I N25508 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.25 COC1=CN=C(N)C=C1Br P48328 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.25 COC1=CN=C(N)C=C1C L20666 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.25 COC1=CN=C(N)C=C1Cl G-6858 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.25 CSC1=C(C)N=C(F)C=C1 N26850 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.25 CSC1=CC=C(C)C=C1Br Q67598 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.25 CSC1=CC=C(Cl)N=C1Cl N27235 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.25 CSC1=CC=C(F)N=C1F O30966 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.25 NC1=C(C=O)C=CC(Cl)=N1 Q69586 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.25 NC1=CC(Cl)=NC=C1C=O A-703 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.25 O=CC1=C(O)C=C(Br)N=C1 Q52264 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.25 O=CC1=CC=C(Br)N=C1Br G-5429 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.25 O=CC1=CC=C(Br)N=C1Cl N26033 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.25 O=CC1=CC=C(F)N=C1F Q66661 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.25 O=CC1=CN=C(Br)C=C1Br O32520 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.25 O=CC1=CN=C(Br)C=C1Cl O32647 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.25 O=CC1=CN=C(Cl)C=C1Cl O32554 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.176 C=CC1=CC=C(F)C(F)=C1 P38224 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.176 CC1=C(Br)N=CC(C=O)=C1 N24668 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.176 CC1=C(C)N=CC(C#N)=C1 Q69984 [1,1,0,0,0,0|1,0,1]=4 470 B10R1.176 CC1=C(C)N=CC(C=O)=C1 Q67397 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.176 CC1=C(Cl)C=C(C#N)C=N1 O29814 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.176 CC1=C(Cl)N=CC(C=O)=C1 Q66671 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.176 CC1=C(F)N=CC(C=O)=C1 O30685 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.176 CC1=C(N)C=C(C#N)C=N1 Q62260 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.176 CC1=C(O)C=C(C=O)C=C1 N25292 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.176 CC1=CC(C=O)=CN=C1O Q60238 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.176 CC1=CC(CO)=CN=C1C Q68801 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.176 CC1=CC=C(C=O)C=C1Br Q67254 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.176 CC1=CC=C(C=O)C=C1Cl Q67635 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.176 COC1=CC=C(C)C(Br)=C1 N24125 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.176 COC1=CC=C(C)C(F)=C1 Q67079 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.176 COC1=CC=C(C)C(O)=C1 Q67987 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.176 COC1=CN=C(Br)C(C)=C1 N25865 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.176 COC1=CN=C(Br)C(F)=C1 O29400 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.176 COC1=CN=C(C)C(Br)=C1 I-9994 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.176 COC1=CN=C(Cl)C(C)=C1 N25631 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.176 COC1=CN=C(F)C(C)=C1 N25926 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.176 COC1=CN=C(F)C(I)=C1 N25099 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.176 COC1=CN=C(F)C(O)=C1 N27785 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.176 COC1=CN=C(N)C(Br)=C1 Q53409 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.176 CSC1=CC(O)=C(C)C=C1 N26961 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.176 CSC1=CN=C(Br)C(F)=C1 O31247 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.176 CSC1=CN=C(Cl)C(C)=C1 O31318 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.176 O=CC1=CC(Cl)=C(Cl)N=C1 N24947 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.15 C=CC(=O)C1=CC=CN=C1 Q52778 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.15 CCC(=O)C1=CC=CN=C1 P40926 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.15 COC(=O)C1=CC=CN=N1 C-2267 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.15 COC(=O)C1=CN=CN=C1 G-7535 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.15 NCC(O)C1=CC=CN=C1 O32747 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.15 NCC(O)C1=CC=CN=C1 P43089 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.15 O=C(CBr)C1=CC=CN=C1 Q55443 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.15 O=C(CBr)C1=CN=CN=C1 Q54899 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.15 O=C(CCl)C1=CC=CN=C1 O29841 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.15 O=C(CCl)C1=NC=CN=C1 L19661 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.15 OC(CCl)C1=CC=CN=C1 O32660 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.28 CC(C)(N)C1=CC=CN=C1 S72454 [1,1,0,0,0,0|0,0,2]=4 507 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Q54381 [1,1,0,0,0,0|1,0,0]=3 508 B10R1.61 CC(=O)C1=CC=CN=C1Br F-4747 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.61 CC(=O)C1=CC=CN=C1C Q52526 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.61 CC(=O)C1=CC=CN=C1F O30900 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.61 CC(=O)C1=CC=CN=C1N Q52860 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.61 CC(=O)C1=CN=CN=C1C Q58769 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.61 CC(=O)C1=NC=CN=C1Cl G-7946 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.61 CC(C)C1=CC=CN=C1N O33456 [1,1,0,0,0,0|0,0,2]=4 515 B10R1.61 CC(O)C1=CC=CN=C1Br O30716 [1,1,0,0,0,0|1,0,1]=4 516 B10R1.61 CC(O)C1=CC=CN=C1Cl P41711 [1,1,0,0,0,0|1,0,1]=4 517 B10R1.61 CC(O)C1=CC=CN=C1F N26796 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.61 CC1=CC=NC=C1C(=O)O G-5539 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.61 CC1=NC=CC=C1C(=O)O E-3023 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.61 C[C@@H](O)C1=CC=CN=C1N Q62533 [1,1,0,0,0,0|1,0,1]=4 521 B10R1.61 C[C@H](O)C1=CC=CN=C1N Q62532 [1,1,0,0,0,0|1,0,1]=4 522 B10R1.61 NC(=O)C1=C(N)C=CN=C1 C-3535 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.61 NC(=O)C1=CC=CN=C1F N25255 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.61 NC1=C(C(=O)O)C=NC=C1 G-5409 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.61 O=C(Cl)C1=CC=CN=C1Br N24418 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.61 O=C(Cl)C1=CC=CN=C1F N25171 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 E-3001 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.61 O=C(O)C1=CN=CC=C1F O34100 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.113 C=C(C)C1=CC(C)=CC=C1 P42602 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 O32374 [1,1,0,0,0,0|1,0,0]=3 531 B10R1.113 CC(=O)C1=CC(F)=CN=C1 P43295 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.113 CC(C)C1=CN=CC(O)=C1 Q52825 [1,1,0,0,0,0|0,0,2]=4 533 B10R1.113 CC(N)C1=CN=CC(F)=C1 Q58352 [1,1,0,0,0,0|1,0,1]=4 534 B10R1.113 CC(N)C1=CN=CC(F)=C1 Q58353 [1,1,0,0,0,0|1,0,1]=4 535 B10R1.113 CC1=CN=CC(C(=O)O)=C1 I-9162 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.113 CN(C)C1=CC(Br)=CN=C1 N24376 [1,1,0,0,0,0|1,0,1]=4 537 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 O29507 [1,1,0,0,0,0|1,0,1]=4 538 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 P43499 [1,1,0,0,0,0|1,0,1]=4 539 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 O29660 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.113 NC(=O)C1=CC(F)=CN=C1 P36523 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.113 O=C(Cl)C1=CC(Br)=CN=C1 Q66304 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.113 O=C(O)C1=CC(F)=CN=C1 C-3613 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 G-6839 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.113 O=C(O)C1=CN=CC(O)=C1 G-7172 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.14 COC(=O)C1=CSC(C)=N1 O34523 [0,1,0,0,1,0|2,0,0]=4 546 B10R1.14 COC(=O)C1=NN(C)C=C1 K12251 [0,1,0,0,1,0|2,0,0]=4 547 B10R1.59 CC(=O)C1=NN(C)C=C1Cl K12253 [0,1,0,0,1,0|2,0,0]=4 548 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 P39368 [0,1,0,0,0,1|2,0,0]=4 549 B12R1.4 COC1=CC=C(OC(C)=O)C=C1 Q67288 [0,1,0,0,0,1|2,0,0]=4 550 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 P40728 [0,1,0,0,0,1|2,0,0]=4 551 B12R1.49 COC(=O)CC1=CC=C(Br)N=C1 Q53249 [0,1,0,0,0,1|2,0,0]=4 552 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 P39469 [0,1,0,0,0,1|2,0,0]=4 553 B12R1.233 CC1=NC(C)=C(CC(=O)O)C=C1 Q60611 [0,1,0,0,0,1|2,0,0]=4 554 B12R1.5 CCC1=CC=C(C(=O)OC)C=C1 Q68222 [0,2,0,0,0,0|2,0,0]=4 555 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 O28734 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.5 COC(=O)C1=CC=C(C#N)N=C1 I-9400 [0,2,0,0,0,0|1,0,1]=4 557 B12R1.5 COC(=O)C1=CC=C(CN)N=C1 10790 [0,2,0,0,0,0|1,0,0]=3 558 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 M23178 [0,2,0,0,0,0|1,0,0]=3 559 B12R1.5 COC(=O)C1=CN=C(CCl)C=C1 M15191 [0,2,0,0,0,0|1,0,0]=3 560 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 L14676 [0,2,0,0,0,0|1,0,0]=3 561 B12R1.5 COC(=O)C1=CN=C(CN)N=C1 L13305 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.5 COC(=O)C1=CN=C(CN)N=C1 Q53696 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 Q57226 [0,2,0,0,0,0|1,0,0]=3 564 B12R1.5 COC(=O)C1=CN=C(OC)N=C1 Q67509 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.5 COC(=O)C1=CN=C(SC)C=C1 O29122 [0,2,0,0,0,0|1,0,0]=3 566 B12R1.5 COC(=O)C1=CN=C(SC)N=C1 O31159 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.5 COC1=CC=C(C(=N)NO)C=N1 O29481 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 P40807 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.6 CS(=O)(=O)C1=CC=C(CN)N=C1 Q62824 [0,2,0,0,0,0|2,0,0]=4 570 B12R1.6 CS(=O)(=O)C1=CN=C(CN)C=C1 Q52679 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.48 CNC1=CC=C(C(C)=O)C=C1N O31571 [0,2,0,0,0,0|2,0,0]=4 572 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 P44401 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.48 COC1=C(F)C=C(C(=O)O)C=N1 S72635 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.48 COC1=C(O)C=C(C(=O)O)C=N1 Q60788 [0,2,0,0,0,0|2,0,0]=4 575 B12R1.48 COC1=CC=C(C(C)=O)C=C1C Q67903 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.48 COC1=NC=C(C(=O)O)C=C1C N26013 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.48 CSC1=NC=C(C(=O)O)C=C1C N25880 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.113 CCOC1=NC=C(C(=O)O)C=C1 P34777 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.256 C=C(C)C1=CN=C(C(=O)O)C=C1 K12258 [0,2,0,0,0,0|0,0,1]=3 580 B12R1.256 CC(=O)C1=CN=C(C(=O)O)C=C1 O29701 [0,2,0,0,0,0|1,0,1]=4 581 B12R1.256 CC(=O)C1=CN=C(C(C)C)C=C1 H-8735 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=N1 P35906 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.256 O=C(O)C1=CN=C(C(F)F)C=C1 Q60713 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.452 COC1=CC(C)=C(C(=O)O)C=N1 Q67661 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.452 COC1=CC(N)=C(C(=O)O)C=N1 P44270 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.452 COC1=CC=C(C(=O)O)C(C)=N1 N24695 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 N24433 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 P51606 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.452 COC1=NC=C(C(=O)O)C(C)=C1 Q60522 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.452 CSC1=NC=C(C(=O)O)C(C)=C1 N27762 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.452 CSC1=NC=C(C(C)=O)C(N)=N1 G-7516 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.56 CC1=NC=C(C(=O)O)C=C1C#N Q60502 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.56 COC1=CC(C(C)=O)=CN=C1Br N27081 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.232 CC(=O)C1=CC(C)=C(C)C=C1O Q65601 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.232 CC1=CC(C(=O)O)=C(O)N=C1C Q60518 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.367 CC1=CC=C(C(=O)CBr)C=C1Br M15182 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.367 COC(=O)C1=CC(Br)=C(F)N=C1 Q52498 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.367 COC(=O)C1=CC(Cl)=C(Br)N=C1 O30060 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.367 COC(=O)C1=CC(F)=C(Br)N=C1 O31959 [0,2,0,0,0,0|2,0,0]=4 600 B12R1.367 COC(=O)C1=CC(F)=C(Cl)N=C1 O30110 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.367 COC(=O)C1=CC(I)=C(Cl)N=C1 O30656 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.367 COC(=O)C1=CC=C(C)C(F)=C1 Q68321 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.367 COC(=O)C1=CC=C(C)C(O)=C1 Q67777 [0,2,0,0,0,0|2,0,0]=4 604 B12R1.367 COC(=O)C1=CN=C(C)C(Br)=C1 O34001 [0,2,0,0,0,0|1,0,0]=3 605 B12R1.367 COC(=O)C1=CN=C(C)C(C)=C1 Q68803 [0,2,0,0,0,0|1,0,0]=3 606 B12R1.367 COC(=O)C1=CN=C(C)C(N)=C1 Q52518 [0,2,0,0,0,0|1,0,0]=3 607 B12R1.367 COC(=O)C1=CN=C(Cl)C(C)=C1 N25901 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.367 COC(=O)C1=CN=C(Cl)C(Cl)=C1 Q68217 [0,2,0,0,0,0|2,0,0]=4 609 B12R1.367 COC(=O)C1=CN=C(F)C(C)=C1 N24133 [0,2,0,0,0,0|2,0,0]=4 610 B12R1.367 COC(=O)C1=CN=C(I)C(O)=C1 P44343 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.367 COC(=O)C1=CN=C(N)C(O)=C1 Q53133 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.367 COC(=O)C1=CN=C(O)C(O)=C1 G-7788 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.893 CC1=C(Cl)C(C)=C(C(N)=O)C=N1 L20891 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.893 CC1=NC=C(C(=O)O)C(C)=C1Cl Q60527 [0,2,0,0,0,0|2,0,0]=4 615 B12R1.16 CCOC(=O)C1=CC=C(C)N=C1 Q51912 [0,2,0,0,0,0|1,0,0]=3 616 B12R1.16 CCOC(=O)C1=CN=C(Br)C=C1 Q67365 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.16 CCOC(=O)C1=CN=C(C)N=C1 G-5558 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.1703 COC(=O)C1=C(Br)N=C(C)C=C1 Q62372 [0,2,0,0,0,0|1,0,0]=3 619 B12R1.1703 COC(=O)C1=C(Cl)N=C(Br)C=C1 Q57231 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.1703 COC(=O)C1=C(Cl)N=C(Cl)C=C1 Q67449 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.1703 COC(=O)C1=C(N)C=C(C)N=C1 P44959 [0,2,0,0,0,0|1,0,0]=3 622 B12R1.1703 COC(=O)C1=CC=C(Br)N=C1Br N25439 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.1703 COC(=O)C1=CC=C(Br)N=C1C O29091 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.1703 COC(=O)C1=CC=C(C)C=C1Cl Q67996 [0,2,0,0,0,0|2,0,0]=4 625 B12R1.1703 COC(=O)C1=CC=C(C)C=C1F P36301 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Cl O31910 [0,2,0,0,0,0|1,0,0]=3 627 B12R1.1703 COC(=O)C1=CC=C(Cl)N=C1C N25853 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.1703 COC(=O)C1=CC=C(Cl)N=C1N C-2358 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.1703 COC(=O)C1=CC=C(F)N=C1C N26081 [0,2,0,0,0,0|2,0,0]=4 630 B12R1.1703 COC(=O)C1=CC=C(F)N=C1F Q67310 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.1703 COC(=O)C1=CC=C(N)N=C1Cl O30146 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.1703 COC(=O)C1=CN=C(Br)C=C1C N26797 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1C N26194 [0,2,0,0,0,0|2,0,0]=4 634 B12R1.57 COC1=C(C(=O)O)C=CC(C)=N1 Q60539 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(Cl)=N1 L14660 [0,2,0,0,0,0|2,0,0]=4 636 B12R2.606 CC1=CC2=C(C=C(O)N=C2)N1 M15486 [0,0,0,1,0,1|2,0,0]=4 637 B12R2.606 CC1=CC2=C(C=CC(Br)=N2)N1 P49529 [0,0,0,1,0,1|1,0,0]=3 638 B12R2.606 CC1=CC2=C(C=CC(I)=C2)N1 Q55414 [0,0,0,1,0,1|2,0,0]=4 639 B12R2.606 CC1=CC2=CC(Cl)=NC=C2N1 P44313 [0,0,0,1,0,1|1,0,0]=3 640 B12R2.606 CC1=CC2=CC(F)=NC=C2N1 P50437 [0,0,0,1,0,1|1,0,0]=3 641 B12R2.606 CC1=CC2=CC=C(Br)N=C2N1 P47915 [0,0,0,1,0,1|2,0,0]=4 642 B12R2.606 CC1=CC2=CC=C(Cl)N=C2N1 P45009 [0,0,0,1,0,1|2,0,0]=4 643 B12R2.606 CC1=CC2=CC=C(N)N=C2N1 P45478 [0,0,0,1,0,1|2,0,0]=4 644 B12R2.606 CC1=CC2=CN=C(Cl)C=C2N1 P46508 [0,0,0,1,0,1|2,0,0]=4 645 B12R2.606 CC1=CC2=NC(Br)=CN=C2N1 O33013 [0,0,0,1,0,1|2,0,0]=4 646 B12R2.606 CC1=CC2=NC(Cl)=CC=C2N1 I-9797 [0,0,0,1,0,1|1,0,0]=3 647 B12R2.606 CC1=CC=C2C=C(I)NC2=N1 P49271 [0,0,0,1,0,1|2,0,0]=4 648 B12R2.606 CC1=CN=C2NC(C)=CC2=C1 P49574 [0,0,0,1,0,1|2,0,0]=4 649 B12R2.606 CC1=NC2=C(C=NC(Cl)=C2)N1 O30942 [0,0,0,1,0,1|2,0,0]=4 650 B12R2.606 CC1=NC2=CC=C(Br)N=C2N1 O29853 [0,0,0,1,0,1|2,0,0]=4 651 B12R2.606 ClC1=CC=C2NC(Cl)=CC2=N1 I-9825 [0,0,0,1,0,1|2,0,0]=4 652 B12R2.606 ClC1=NC2=C(C=C1)NC(Br)=C2 P47093 [0,0,0,1,0,1|2,0,0]=4 653 B12R2.606 ClC1=NC2=C(C=C1)NC(I)=C2 P50262 [0,0,0,1,0,1|2,0,0]=4 654 B12R2.606 ClC1=NC=C2NC(Br)=CC2=C1 P50270 [0,0,0,1,0,1|2,0,0]=4 655 B12R2.606 ClC1=NC=C2NC(I)=CC2=C1 P46605 [0,0,0,1,0,1|2,0,0]=4 656 B12R2.606 FC1=NC=C2NC(I)=CC2=C1 P50456 [0,0,0,1,0,1|2,0,0]=4 657 B12R2.606 NC1=NC2=C(C=C1)SC(Br)=C2 Q53093 [0,0,0,1,0,1|2,0,0]=4 658 B12R2.606 O=C1C=C2C=C(Br)N=CC2=N1 G-7795 [0,0,0,1,0,1|2,0,0]=4 659 B12R2.606 O=C1CC2=C(C=CC(F)=N2)N1 Q52847 [0,0,0,1,0,1|2,0,0]=4 660 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 C-3445 [0,0,0,1,0,1|2,0,0]=4 661 B12R2.606 O=C1CC2=CC(F)=NC=C2N1 Q53173 [0,0,0,1,0,1|2,0,0]=4 662 B12R2.606 O=C1CC2=NC(Br)=CC=C2N1 G-5498 [0,0,0,1,0,1|2,0,0]=4 663 B12R2.606 O=C1CC2=NC(Cl)=CC=C2N1 C-3480 [0,0,0,1,0,1|2,0,0]=4 664 B12R2.9 COC1=NC=C(C2CC2)C=C1 N27275 [0,1,0,1,0,0|0,0,2]=4 665 B12R2.612 CC1=CC=C2C(Br)=CNC2=N1 L21489 [0,1,0,1,0,0|1,0,0]=3 666 B12R2.612 CC1=CC=C2C(I)=CNC2=N1 P50036 [0,1,0,1,0,0|1,0,0]=3 667 B12R2.612 CC1=CC=C2C(N)=CNC2=N1 P50035 [0,1,0,1,0,0|1,0,0]=3 668 B12R2.612 CC1=CNC2=C1C=CC(Br)=C2 L14882 [0,1,0,1,0,0|2,0,0]=4 669 B12R2.612 CC1=CNC2=C1C=CC(O)=C2 P44314 [0,1,0,1,0,0|2,0,0]=4 670 B12R2.612 CC1=CNC2=C1C=NC(N)=N2 P43795 [0,1,0,1,0,0|2,0,0]=4 671 B12R2.612 CC1=CNC2=C1N=CC(Cl)=N2 P47502 [0,1,0,1,0,0|2,0,0]=4 672 B12R2.612 CC1=CNC2=CC(F)=NC=C12 P50441 [0,1,0,1,0,0|1,0,0]=3 673 B12R2.612 CC1=CNC2=CC(N)=CC=C12 L13196 [0,1,0,1,0,0|2,0,0]=4 674 B12R2.612 CC1=CNC2=NC(Br)=CC=C12 F-4288 [0,1,0,1,0,0|1,0,0]=3 675 B12R2.612 CC1=CNC2=NC(Cl)=CC=C12 F-4214 [0,1,0,1,0,0|1,0,0]=3 676 B12R2.612 CC1=CNC2=NC(Cl)=NC=C12 L13086 [0,1,0,1,0,0|2,0,0]=4 677 B12R2.612 CC1=CNC2=NC(N)=CC=C12 M24080 [0,1,0,1,0,0|1,0,0]=3 678 B12R2.612 CC1=NC2=C(C=C1)C(N)=NN2 P44636 [0,1,0,1,0,0|2,0,0]=4 679 B12R2.612 CC1=NNC2=C1C=NC(Br)=C2 P47553 [0,1,0,1,0,0|2,0,0]=4 680 B12R2.612 CC1=NNC2=CC(Cl)=NC=C21 P44196 [0,1,0,1,0,0|2,0,0]=4 681 B12R2.612 CC1=NNC2=NC(Cl)=CC=C12 G-7193 [0,1,0,1,0,0|2,0,0]=4 682 B12R2.612 CC1=NNC2=NC(F)=CC=C12 L22483 [0,1,0,1,0,0|2,0,0]=4 683 B12R2.612 CN1C=CC2=C1C=CC(Br)=N2 P46208 [0,1,0,1,0,0|2,0,0]=4 684 B12R2.612 CN1C=CC2=C1C=CC(N)=N2 P44755 [0,1,0,1,0,0|2,0,0]=4 685 B12R2.612 CN1N=CC2=CC(Br)=NC=C21 P48752 [0,1,0,1,0,0|2,0,0]=4 686 B12R2.612 ClC1=CC2=C(C=N1)C(Br)=CN2 O33599 [0,1,0,1,0,0|2,0,0]=4 687 B12R2.612 ClC1=CC=C2C(I)=CNC2=N1 P49453 [0,1,0,1,0,0|2,0,0]=4 688 B12R2.612 ClC1=CNC2=NC(Br)=CC=C12 P49482 [0,1,0,1,0,0|2,0,0]=4 689 B12R2.612 ClC1=NC2=C(C=C1)C(Br)=CN2 L13514 [0,1,0,1,0,0|2,0,0]=4 690 B12R2.612 ClC1=NC=C2C(I)=CNC2=C1 P50015 [0,1,0,1,0,0|2,0,0]=4 691 B12R2.612 FC1=CC=C2C(Br)=CNC2=N1 P49561 [0,1,0,1,0,0|2,0,0]=4 692 B12R2.612 FC1=CC=C2C(Cl)=CNC2=N1 P49452 [0,1,0,1,0,0|2,0,0]=4 693 B12R2.612 FC1=CC=C2C(I)=CNC2=N1 P49510 [0,1,0,1,0,0|2,0,0]=4 694 B12R2.612 FC1=CNC2=NC(Cl)=CC=C12 P48668 [0,1,0,1,0,0|2,0,0]=4 695 B12R2.612 FC1=NC=C2C(Br)=CNC2=C1 P49549 [0,1,0,1,0,0|2,0,0]=4 696 B12R2.612 FC1=NC=C2C(I)=CNC2=C1 P49547 [0,1,0,1,0,0|2,0,0]=4 697 B12R2.612 NC1=CC=C2C(Br)=CNC2=N1 P47600 [0,1,0,1,0,0|2,0,0]=4 698 B12R2.612 NC1=CC=C2C(I)=CNC2=N1 P47523 [0,1,0,1,0,0|2,0,0]=4 699 B12R2.612 NC1=CNC2=NC(Cl)=CC=C12 P49683 [0,1,0,1,0,0|2,0,0]=4 700 B12R2.612 NC1=CNC2=NC(F)=CC=C12 P49480 [0,1,0,1,0,0|2,0,0]=4 701 B12R2.612 O=C1OCC2=CC(Cl)=NC=C12 L21981 [0,1,0,1,0,0|2,0,0]=4 702 B12R2.612 OC1=CC=C2C(Br)=CNC2=N1 P49466 [0,1,0,1,0,0|2,0,0]=4 703 B12R2.612 OC1=CC=C2C(I)=CNC2=N1 P49517 [0,1,0,1,0,0|2,0,0]=4 704 B8R1.1 C(=O)C1=CN(C)N=C1 A-905 [1,0,0,0,1,0|2,0,0]=4 705 B8R1.1 C(=O)C1=CN=C(C)N1 F-4064 [1,0,0,0,1,0|2,0,0]=4 706 B8R1.1 CC1=CC(C=O)=CS1 L14285 [1,0,0,0,1,0|2,0,0]=4 707 B8R1.1 CC1=CSC(C=O)=C1 Q67410 [1,0,0,0,1,0|2,0,0]=4 708 B8R1.1 CC1=NC(C=O)=CO1 O30450 [1,0,0,0,1,0|2,0,0]=4 709 B8R1.1 CC1=NC(C=O)=CS1 O30852 [1,0,0,0,1,0|2,0,0]=4 710 B8R1.1 CC1=NC=C(C=O)S1 O31139 [1,0,0,0,1,0|2,0,0]=4 711 B8R1.1 CCC1=CNC(C)=N1 O32620 [1,0,0,0,1,0|1,0,1]=4 712 B8R1.1 CN1C=CC(C=O)=N1 O31801 [1,0,0,0,1,0|2,0,0]=4 713 B8R1.1 CSC1=CC(C)=CS1 N26956 [1,0,0,0,1,0|2,0,0]=4 714 B8R1.7 CC(=O)C1=CNC=N1 P51504 [1,0,0,0,1,0|2,0,0]=4 715 B8R1.7 CC(=O)C1=CNN=C1 H-8406 [1,0,0,0,1,0|2,0,0]=4 716 B8R1.7 CC(=O)C1=NNC=C1 Q62132 [1,0,0,0,1,0|2,0,0]=4 717 B10R1.18 CC(=O)CC1=CC=CN=C1 P36950 [1,0,0,0,0,1|1,0,0]=3 718 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 Q60510 [0,0,0,0,0,2|2,0,0]=4