0 B11R1.279 CC1=C(C=O)C=CC(C#N)=C1 I10178 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.279 CC1=C(C=O)C=CC(C=O)=C1 A12374 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.279 CCC1=CC(Br)=C(C#N)C=C1 Y11007 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.279 CCC1=CC(F)=C(C=O)C=C1 36776 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.279 CCC1=CC(N)=C(OC)C=C1 W16778 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.279 CCC1=CC(O)=C(OC)C=C1 O11426 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.279 CCC1=CC=C(C#N)C(O)=N1 C90475 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.279 COC1=CC(Br)=C(CO)C=C1 96401 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.279 COC1=CC(Br)=C(OC)C=N1 W13564 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.279 COC1=CC(C)=C(CN)C=C1 N16939 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.279 COC1=CC(Cl)=C(C#N)C=N1 W10460 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.279 COC1=CC(Cl)=C(CO)C=C1 W19191 [0,0,0,0,0,0|1,0,2]=3 12 B11R1.279 COC1=CC(F)=C(CBr)C=C1 CL9274 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.279 COC1=CC(F)=C(CN)C=C1 CK2394 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.279 COC1=CC(F)=C(CN)C=C1 Y11728 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.279 COC1=CC(F)=C(NN)C=C1 27747 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.279 COC1=CC(I)=C(C=O)C=C1 D82574 [0,0,0,0,0,0|1,0,0]=1 17 B11R1.279 COC1=CC(I)=C(CO)C=N1 64882 [0,0,0,0,0,0|2,0,2]=4 18 B11R1.279 COC1=CC(N)=C(C=O)C=C1 F15612 [0,0,0,0,0,0|1,0,0]=1 19 B11R1.279 COC1=CC(N)=C(CO)C=C1 F15701 [0,0,0,0,0,0|1,0,2]=3 20 B11R1.279 COC1=CC(O)=C(OC)C=C1 25077 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.279 COC1=CC=C(C#N)C(Br)=N1 FD10641 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.279 COC1=CC=C(C=O)C(Cl)=N1 W17184 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.279 COC1=CC=C(CN)C(Br)=N1 D82704 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.279 COC1=CN=C(C#N)C(C)=C1 82258 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.279 COC1=CN=C(CN)C(C)=C1 D83514 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.279 COC1=NC(C)=C(C#N)C=C1 85188 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.279 COC1=NC(N)=C(C=O)C=N1 66176 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.279 COC1=NC=C(C#N)C(C)=C1 C11019 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.279 CSC1=NC(C)=C(C=O)C=N1 D83818 [0,0,0,0,0,0|3,1,0]=4 30 B11R1.279 N#CC1=CC(O)=C(C=O)C=C1 A11330 [0,0,0,0,0,0|2,0,0]=2 31 B11R1.279 O=CC1=C(O)C=C(CO)C=C1 C11418 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.3 C#CC1=CN=C(C=O)C=C1 51748 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.3 C#CC1=NC=C(OC)C=C1 D84302 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.3 C=CC1=CC=C(CO)C=C1 F14590 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.3 CNC1=CC=C(C=O)C=C1 D93507 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.3 CNC1=CC=C(CO)C=C1 20987 [1,0,0,0,0,0|1,0,2]=4 37 B10R1.3 CNC1=NC=C(C=O)C=C1 P10732 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.3 COC1=CN=C(C=O)C=N1 P10975 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.3 COC1=CN=C(CBr)C=C1 O10508 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.3 COC1=CN=C(CCl)C=C1 81763 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.3 COC1=CN=C(CN)C=C1 AC7188 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.3 COC1=NC=C(CCl)C=C1 82159 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.3 COC1=NC=C(CN)C=C1 C73256 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.3 COC1=NC=C(NN)C=C1 F13050 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.3 CSC1=CC=C(NN)C=C1 79686 [1,0,0,0,0,0|2,1,0]=4 46 B10R1.3 CSC1=NC=C(C=O)C=N1 P10273 [1,0,0,0,0,0|2,1,0]=4 47 B10R1.3 N#CC1=CN=C(C=O)C=C1 26613 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.3 O=CC1=CC=C(CCl)C=C1 CL9238 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.3 O=CC1=CN=C(C=O)C=C1 D80964 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.25 C=CC1=C(Br)C=C(F)C=C1 S10822 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 C16730 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.25 CC1=C(C=O)C=CC(F)=N1 C76919 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.25 CC1=CC(Br)=C(CN)C=C1 W19042 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.25 CC1=CC(Br)=NC=C1C=O C77172 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.25 CC1=CC(C)=C(C=O)C=N1 C14259 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.25 CC1=CC(C)=C(CBr)C=C1 24686 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 N12896 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.25 CC1=CC(F)=C(NN)C=C1 D82866 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.25 CC1=CC(F)=C(NN)C=C1 W17784 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.25 CC1=CC=C(C=O)C(Br)=N1 D82345 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.25 CC1=NC(N)=C(C=O)C=N1 66180 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.25 CCC1=C(Br)C=C(O)C=C1 Y11628 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.25 CCC1=C(F)C=C(O)C=C1 C11362 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.25 CNC1=C(C)C=C(O)C=C1 C16321 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.25 COC1=C(C)C=C(O)C=C1 95659 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.25 N#CC1=C(Br)C=C(O)C=C1 AC6875 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.25 N#CC1=C(O)C=C(N)C=C1 S10894 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.25 N#CC1=C(O)C=C(O)C=C1 C76016 [1,0,0,0,0,0|1,0,1]=3 69 B10R1.25 N#CC1=CC=C(O)N=C1O C15658 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.25 NC1=C(C=O)C=CC(F)=C1 34566 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.25 NC1=CC(Br)=C(C=O)C=C1 C16178 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.25 NC1=CC(Br)=CN=C1C=O P13238 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.25 NC1=CC(Cl)=NC=C1C=O 22929 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.25 NC1=CC(F)=C(C=O)C=C1 AC6806 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.25 NC1=CC(F)=CN=C1C=O D83274 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.25 NC1=CC(N)=C(C=O)C=C1 C10737 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.25 NCC1=C(F)C=C(O)C=C1 N14725 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.25 NCC1=C(O)C=C(Br)C=C1 N13143 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.25 O=CC1=C(Br)C=C(Br)C=N1 W15435 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.25 O=CC1=C(Br)C=C(Cl)C=N1 BL010229 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.25 O=CC1=C(Br)C=C(F)C=N1 58153 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.25 O=CC1=C(Br)C=C(I)C=C1 67919 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=N1 80307 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.25 O=CC1=C(Cl)N=C(Br)C=C1 26730 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.25 O=CC1=C(F)C=C(F)C=N1 F11044 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.25 O=CC1=C(F)N=C(Br)C=C1 74727 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.25 O=CC1=C(I)C=C(F)C=C1 CL9496 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.25 O=CC1=C(O)N=C(Br)C=C1 D80553 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.25 O=CC1=CC=C(Cl)N=C1Br C71249 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.25 O=CC1=CC=C(F)N=C1Cl F12185 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.25 O=CC1=CN=C(Br)C=C1Cl CL0319 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.25 OCC1=C(Br)C=C(O)C=C1 98273 [1,0,0,0,0,0|1,0,2]=4 93 B10R1.25 OCC1=C(Cl)C=C(O)C=C1 CL9122 [1,0,0,0,0,0|1,0,2]=4 94 B10R1.25 OCC1=C(O)C=C(Br)C=C1 35526 [1,0,0,0,0,0|1,0,2]=4 95 B10R1.176 CC1=C(O)C=C(C=O)C=C1 W16814 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.176 CCC1=CC(Br)=C(C)C=C1 D93128 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.176 CCC1=CC(Br)=C(I)C=C1 Y11303 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.176 CCC1=CC(C)=C(C)C=C1 C77212 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.176 CCC1=CC(C)=C(I)C=C1 W17700 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.176 CCC1=CC(F)=C(N)C=C1 N13141 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.176 CCC1=CC(N)=C(N)C=C1 76101 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 O10732 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.176 COC1=CC(=O)N(C)C=C1 79097 [1,0,0,0,0,0|1,0,2]=4 104 B10R1.176 COC1=CC(Br)=C(C)C=N1 P20929 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.176 COC1=CC(Br)=C(C)N=C1 P12000 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.176 COC1=CC(Br)=C(Cl)C=N1 C71758 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.176 COC1=CC(Br)=C(Cl)N=C1 C14046 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.176 COC1=CC(Br)=C(F)C=N1 F12224 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.176 COC1=CC(Cl)=C(Br)C=N1 25841 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.176 COC1=CC(Cl)=C(I)C=C1 D72033 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.176 COC1=CC(Cl)=C(I)C=N1 W10502 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.176 COC1=CC(F)=C(N)C=N1 D94273 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.176 COC1=CC(F)=C(N)N=C1 C71770 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.176 COC1=CC(I)=C(Cl)C=N1 S10269 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.176 COC1=CC(I)=C(F)C=N1 22601 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.176 COC1=CC(O)=C(F)C=N1 79067 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.176 COC1=CC(O)=C(N)C=C1 20700 [1,0,0,0,0,0|1,0,0]=2 118 B10R1.176 COC1=CC(O)=C(O)C=C1 F18177 [1,0,0,0,0,0|0,0,1]=2 119 B10R1.176 COC1=CC=C(Br)C(Br)=N1 S10112 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.176 COC1=CC=C(Cl)C(Cl)=N1 C76674 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.176 COC1=CN=C(Br)C(F)=C1 D83224 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.176 COC1=CN=C(Br)C(N)=C1 24981 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.176 COC1=CN=C(Cl)C(C)=C1 C76383 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.176 COC1=NC(Cl)=C(Br)C=C1 C76489 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.176 COC1=NC(F)=C(Br)C=C1 S10193 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.176 COC1=NC(N)=C(Br)C=C1 C75397 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.176 COC1=NC(N)=C(Cl)C=C1 O10989 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.176 COC1=NC=C(C)C(N)=C1 C72054 [1,0,0,0,0,0|2,0,1]=4 129 B10R1.176 COC1=NC=C(N)C(N)=C1 29189 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.176 N#CC1=CC(O)=C(Cl)C=C1 C75425 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.176 N#CC1=CC(O)=C(I)C=C1 35341 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.176 N#CC1=CC(O)=C(N)C=C1 35473 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.176 NCC1=CC(O)=C(Cl)C=C1 Y11334 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.176 NCC1=CC(O)=C(F)C=C1 D71055 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.176 NCC1=CC(O)=C(O)C=C1 S11863 [1,0,0,0,0,0|2,0,1]=4 136 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 34572 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.176 O=CC1=CC(O)=C(I)C=C1 62940 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.176 OC1=C(F)C=CC(CCl)=C1 D79295 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.176 OCC1=CC(O)=C(F)C=C1 C77207 [1,0,0,0,0,0|3,0,0]=4 140 B12R1.48 CC1=C(C=O)C=CC([N+](=O)[O-])=C1 CL9490 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.48 CN(C)C1=CC(Cl)=C(C=O)C=C1 T70273 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.48 NC1=C(C=O)C=CC([N+](=O)[O-])=C1 F15864 [0,1,0,0,0,0|3,0,0]=4 143 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 AC1747 [0,1,0,0,0,0|3,0,0]=4 144 B12R1.48 O=CC1=C(Br)C=C([N+](=O)[O-])C=C1 20346 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 CL9202 [0,1,0,0,0,0|3,0,0]=4 146 B12R1.78 C#CC1=C(CO)C=C(OC)C=C1 C77012 [0,1,0,0,0,0|1,0,1]=3 147 B12R1.78 C=CC1=C(OC)C=CC(OC)=C1 F18407 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 Y14613 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 C75755 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.78 COC1=CC(CO)=C(CO)C=C1 30228 [0,1,0,0,0,0|0,0,2]=3 151 B12R1.78 COC1=CC(OC)=C(C#N)N=C1 D71934 [0,1,0,0,0,0|2,0,1]=4 152 B12R1.78 COC1=CC(OC)=C(CCl)C=N1 CL0360 [0,1,0,0,0,0|2,0,1]=4 153 B12R1.114 COC1=CC(Br)=C(CC#N)C=C1 C13399 [0,1,0,0,0,0|2,0,1]=4 154 B12R1.114 COC1=CC(Cl)=C(CC#N)C=C1 D87952 [0,1,0,0,0,0|2,0,1]=4 155 B12R1.114 COC1=CC(F)=C(CC#N)C=C1 CK2058 [0,1,0,0,0,0|2,0,1]=4 156 B12R1.114 COC1=CC(F)=C(CCN)C=C1 F20047 [0,1,0,0,0,0|2,0,1]=4 157 B12R1.288 CCOC1=CC(F)=C(CO)C=C1 D83523 [0,1,0,0,0,0|1,0,2]=4 158 B12R1.288 CCOC1=CC(O)=C(C=O)C=C1 11674 [0,1,0,0,0,0|0,0,0]=1 159 B12R1.301 COC1=CC(Br)=C(OC)C(N)=C1 C71509 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.301 COC1=CC(Cl)=C(C#N)C(Cl)=C1 35284 [0,1,0,0,0,0|2,0,1]=4 161 B12R1.301 COC1=CC(F)=C(C#N)C(F)=C1 35290 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.301 COC1=CC(O)=C(C=O)C(C)=C1 F20277 [0,1,0,0,0,0|0,0,0]=1 163 B12R1.301 N#CC1=CC(F)=C(C=O)C(F)=C1 54279 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.450 CC1=CC(C=O)=C(C)C=C1C=O D94663 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.450 COC1=C(Br)C=C(C#N)C(N)=C1 90884 [0,1,0,0,0,0|2,0,1]=4 166 B12R1.450 COC1=C(Br)C=C(C#N)C(O)=C1 66297 [0,1,0,0,0,0|1,0,1]=3 167 B12R1.450 COC1=C(Cl)C=C(C#N)C(N)=C1 73671 [0,1,0,0,0,0|2,0,1]=4 168 B12R1.450 N#CC1=C(F)C=C(C=O)C(F)=C1 CL9493 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.450 O=CC1=CC(Br)=C(C=O)C=C1Br I11276 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.450 O=CC1=CC(O)=C(C=O)C=C1O 11669 [0,1,0,0,0,0|2,0,0]=3 171 B12R1.452 CCC1=CC(F)=C(C(N)=O)C=C1 D79253 [0,1,0,0,0,0|2,0,0]=3 172 B12R1.452 COC1=CC(C)=C(C(N)=O)C=C1 F15895 [0,1,0,0,0,0|1,0,0]=2 173 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11737 [0,1,0,0,0,0|2,0,1]=4 174 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11923 [0,1,0,0,0,0|2,0,1]=4 175 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11924 [0,1,0,0,0,0|2,0,1]=4 176 B12R1.452 COC1=CC(Cl)=C(C(=O)O)N=C1 O10984 [0,1,0,0,0,0|2,0,0]=3 177 B12R1.452 COC1=CC(Cl)=C(C(C)=O)C=C1 75061 [0,1,0,0,0,0|1,0,0]=2 178 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y11507 [0,1,0,0,0,0|2,0,1]=4 179 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y11508 [0,1,0,0,0,0|2,0,1]=4 180 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y13370 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.452 COC1=CC(Cl)=C([N+](=O)[O-])C=C1 S10425 [0,1,0,0,0,0|2,0,0]=3 182 B12R1.452 COC1=CC(Cl)=C([N+](=O)[O-])C=N1 79113 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.452 COC1=CC(F)=C(B(O)O)C=C1 67888 [0,1,0,0,0,0|2,0,1]=4 184 B12R1.452 COC1=CC(F)=C(C(=O)O)N=C1 80030 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y10213 [0,1,0,0,0,0|2,0,1]=4 186 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y10289 [0,1,0,0,0,0|2,0,1]=4 187 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y11913 [0,1,0,0,0,0|2,0,1]=4 188 B12R1.452 COC1=CC(N)=C(C(=O)O)C=N1 P11630 [0,1,0,0,0,0|2,0,0]=3 189 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 52087 [0,1,0,0,0,0|1,0,0]=2 190 B12R1.452 COC1=CC(N)=C([N+](=O)[O-])C=N1 O10819 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.452 COC1=CC=C(C(=O)O)C(=O)N1 D80739 [0,1,0,0,0,0|1,0,1]=3 192 B12R1.452 COC1=CC=C(C(=O)O)C(Br)=N1 O10693 [0,1,0,0,0,0|2,0,0]=3 193 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 89001 [0,1,0,0,0,0|2,0,0]=3 194 B12R1.452 COC1=CC=C([N+](=O)[O-])C(=O)N1 D73317 [0,1,0,0,0,0|2,0,1]=4 195 B12R1.452 COC1=CN=C(C(=O)O)C(N)=C1 N17024 [0,1,0,0,0,0|2,0,0]=3 196 B12R1.452 COC1=CN=C(C(=O)O)C(N)=N1 55145 [0,1,0,0,0,0|3,0,0]=4 197 B12R1.452 COC1=CN=C([N+](=O)[O-])C(N)=C1 97257 [0,1,0,0,0,0|3,0,0]=4 198 B12R1.452 COC1=NC(C)=C(C(=O)O)C=C1 24363 [0,1,0,0,0,0|2,0,0]=3 199 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 F31118 [0,1,0,0,0,0|2,0,0]=3 200 B12R1.452 CSC1=CC(C)=C(C(=O)O)C=C1 75574 [0,1,0,0,0,0|1,1,0]=3 201 B12R1.452 N#CC1=CC(I)=C(C(=O)O)C=C1 80126 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.452 N#CC1=CC(N)=C(C(=O)O)C=C1 CL9383 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.452 N#CC1=CC(O)=C([N+](=O)[O-])C=C1 W11095 [0,1,0,0,0,0|3,0,0]=4 204 B12R1.452 O=CC1=CC(Cl)=C(C(=O)O)C=C1 N10574 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.452 O=CC1=CC(F)=C(C(=O)O)C=C1 D95103 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.653 COC1=C(O)C(O)=C(C=O)C=C1 C75056 [0,1,0,0,0,0|0,0,0]=1 207 B12R1.653 COC1=CC=C(C#N)C(N)=C1Cl 55005 [0,1,0,0,0,0|2,0,1]=4 208 B12R1.653 COC1=CC=C(C=O)C(F)=C1Br F18622 [0,1,0,0,0,0|1,0,0]=2 209 B12R1.653 COC1=CC=C(C=O)C(O)=C1Cl 32661 [0,1,0,0,0,0|0,0,0]=1 210 B12R1.653 COC1=CC=C(OC)C(Br)=C1Br 34797 [0,1,0,0,0,0|3,0,0]=4 211 B12R1.653 O=CC1=C(O)C(O)=C(C=O)C=C1 C72817 [0,1,0,0,0,0|2,0,0]=3 212 B12R2.44 COC1=CC2=C(C=C1)C=NN2 25976 [0,0,0,1,0,0|2,0,0]=3 213 B12R2.44 COC1=CC2=C(C=C1)CCN2 Y10745 [0,0,0,1,0,0|2,0,1]=4 214 B12R2.44 COC1=CC2=C(C=C1)CNC2 64065 [0,0,0,1,0,0|2,0,1]=4 215 B12R2.44 COC1=CC2=C(C=C1)OC=C2 85079 [0,0,0,1,0,0|3,0,0]=4 216 B12R2.44 COC1=CC2=C(C=C1)OC=N2 AC3817 [0,0,0,1,0,0|3,0,0]=4 217 B12R2.44 COC1=CC2=C(C=C1)SC=C2 63588 [0,0,0,1,0,0|3,0,0]=4 218 B12R2.44 COC1=CC2=NNN=C2C=C1 D78611 [0,0,0,1,0,0|3,0,0]=4 219 B12R2.44 COC1=NC2=C(C=CN2)C=C1 53340 [0,0,0,1,0,0|3,0,0]=4 220 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [2,0,0,0,0,0|1,0,1]=4 222 B9R1.1 COC1=CN=C(F)C=C1 98092 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.1 C[N+]1=CC=C(C=O)C=C1 D95156 [2,0,0,0,0,0|1,0,0]=3 224 B9R1.1 NC1=CN=C(C=O)C=C1 D77164 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.1 NCC1=CC=C(O)C=C1 AC1832 [2,0,0,0,0,0|1,0,1]=4 226 B9R1.1 O=CC1=CN=C(O)N=C1 86751 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.1 O=CC1=NN=C(O)C=C1 C77199 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.15 C=CC1=C(N)C=CC=C1 25265 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.15 CC1=C(C=O)C=CN=C1 AB10090 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.15 NC1=CC=CN=C1C=O 80155 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.15 O=CC1=C(Br)C=CN=C1 P16584 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.15 O=CC1=C(Cl)C=CC=C1 D77644 [2,0,0,0,0,0|1,0,0]=3 233 B9R1.15 O=CC1=C(O)C=CN=C1 P10968 [2,0,0,0,0,0|1,0,0]=3 234 B9R1.15 O=CC1=C(O)C=NC=C1 25615 [2,0,0,0,0,0|1,0,0]=3 235 B9R1.69 CC1=C(O)C=C(I)C=C1 D76555 [2,0,0,0,0,0|1,0,1]=4 236 B9R1.69 CC1=CC(I)=C(Br)C=C1 T71407 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.69 CC1=CC(O)=C(Br)C=N1 C72039 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.69 CC1=CN=C(Cl)C(O)=C1 C77105 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.69 CC1=CN=C(F)C(O)=C1 79064 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.69 CN1C=CC(=O)C(O)=C1 O11011 [2,0,0,0,0,0|1,0,0]=3 241 B9R1.69 NC1=C(O)C=CC(O)=C1 D82359 [2,0,0,0,0,0|1,0,1]=4 242 B9R1.69 NC1=CC(O)=C(F)C=C1 53863 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.69 NC1=CC(O)=C(N)C=C1 Y10783 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.69 O=C1C=CC(=O)C(Br)=C1 T70875 [2,0,0,0,0,0|1,0,1]=4 245 B9R1.69 OC1=C(F)C=CC(I)=C1 26402 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.69 OC1=CC(Br)=C(I)C=C1 A11846 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.69 OC1=CC(F)=C(I)C=C1 36664 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.2 CNC1=CC(N)=CC=C1 36494 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.2 COC1=CC(=O)NC=C1 25837 [2,0,0,0,0,0|1,0,1]=4 250 B9R1.2 COC1=NC(O)=CC=N1 Y10376 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.2 CSC1=CC(F)=CC=C1 A12732 [2,0,0,0,0,0|1,1,0]=4 252 B9R1.2 CSC1=CC(O)=CC=C1 W12966 [2,0,0,0,0,0|0,1,0]=3 253 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 A50667 [1,1,0,0,0,0|1,0,1]=4 254 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 AC1342 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.3 C=CC1=CC=C(N(C)C)C=C1 30617 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.3 C=CC1=CC=C([C@H](C)N)C=C1 Y12652 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.3 C=CC1=CC=C([C@H](C)N)C=C1 Y12653 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.3 C=CC1=CC=C([C@H](C)N)C=C1 Y13029 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 CL9316 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 S10908 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 W10833 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.3 CN(C)C1=CN=C(C=O)C=C1 94043 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.3 CN(C)C1=NC=C(C=O)C=C1 78785 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72879 [1,1,0,0,0,0|0,0,2]=4 265 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72977 [1,1,0,0,0,0|0,0,2]=4 266 B11R1.3 COC1=CN=C(C(=N)N)C=C1 66227 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.3 COC1=CN=C(C(=O)O)N=C1 72368 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.3 COC1=CN=C(C(C)=O)C=N1 S10058 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.3 COC1=CN=C(C(C)=O)N=C1 97279 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.3 COC1=NC=C(C(C)=O)C=N1 C71224 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.3 COC1=NN=C(C(=O)O)C=C1 P10767 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.3 N=C(N)C1=CC=C(C=O)C=C1 F58592 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.3 NC(=O)C1=CC=C(CO)C=C1 D82598 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 W15750 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 11076 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 O12033 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.83 COC1=CC=C(CC=O)C=C1 F11615 [1,1,0,0,0,0|0,0,0]=2 278 B11R1.83 COC1=CC=C(CSC)C=C1 W18269 [1,1,0,0,0,0|0,1,1]=4 279 B11R1.83 NCCC1=CC=C(C=O)C=C1 51618 [1,1,0,0,0,0|1,0,0]=3 280 B11R1.83 O=CC1=CC=C(CCO)C=C1 CK2095 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.37 C#CC1=C(C=O)C=CC(F)=C1 C76398 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.37 CC1=CC(C#N)=C(C=O)C=C1 W17085 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.37 CCC1=C(C=O)C=CC(Cl)=C1 CK2098 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.37 COC1=C(C=O)C=CC(Br)=N1 Y11346 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.37 COC1=C(C=O)C=CC(Br)=N1 Y11347 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.37 COC1=C(CO)C=C(C)C=C1 A12781 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.37 COC1=C(CO)C=CC(O)=C1 C71627 [1,1,0,0,0,0|0,0,2]=4 288 B11R1.37 COC1=CC(Br)=CN=C1C=O 97692 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.37 COC1=CC(Cl)=NC=C1C=O F20646 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.37 N#CC1=C(C=O)C=CC(Br)=C1 36183 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.37 O=CC1=C(C=O)C=C(Br)C=C1 F13695 [1,1,0,0,0,0|1,0,1]=4 292 B11R1.81 CC1=CC(C)=C(NC=O)C=C1 E70411 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.81 CCCC1=C(O)C=C(O)C=C1 C73634 [1,1,0,0,0,0|1,0,1]=4 294 B11R1.166 CC(=O)C1=C(Br)C=C(C)C=C1 77817 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 34088 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 52517 [1,1,0,0,0,0|1,0,0]=3 297 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 79163 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 I12065 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 W18192 [1,1,0,0,0,0|1,0,0]=3 300 B11R1.166 CC1=C(C(=O)O)C=CC(I)=C1 31871 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.166 CC1=CC(F)=C(C(=O)O)N=C1 P12274 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.166 CC1=NC(N)=C(C(N)=O)C=C1 D83361 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.166 NC(=O)C1=C(Br)C=C(Br)C=C1 35389 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.166 NC(=O)C1=C(Br)C=C(I)C=C1 C72078 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.166 NC(=O)C1=C(N)C=C(F)C=C1 25114 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.166 NC(=O)C1=C(N)C=C(O)C=C1 C76630 [1,1,0,0,0,0|1,0,0]=3 307 B11R1.166 NC(=O)C1=C(O)C=C(Cl)C=C1 72118 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.166 NC(=O)C1=C(O)C=C(N)C=C1 O11153 [1,1,0,0,0,0|1,0,0]=3 309 B11R1.166 NC(=O)C1=C(O)N=C(O)C=C1 95017 [1,1,0,0,0,0|1,0,0]=3 310 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 D95034 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.166 O=C(O)C1=C(Br)C=C(O)C=C1 C13381 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.166 O=C(O)C1=C(F)C=C(O)C=N1 D79760 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.166 O=C(O)C1=NC=C(Br)C=C1O 54575 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.166 O=[N+]([O-])C1=C(I)C=C(O)C=C1 23870 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.277 CC1=C(C)N=C(Cl)C(C=O)=C1 O10730 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.277 CC1=CC(Br)=C(C)C=C1C=O 97130 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.277 CC1=CC(C=O)=C(Br)C=C1F 34570 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.277 CC1=CC(C=O)=C(O)C=C1O D83851 [1,1,0,0,0,0|0,0,0]=2 319 B11R1.277 CC1=CC(I)=C(C=O)C=C1C AB9474 [1,1,0,0,0,0|1,0,0]=3 320 B11R1.277 NC1=CC(Cl)=C(F)C=C1C=O F15869 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.277 NC1=CC(F)=C(Cl)C=C1C=O C73033 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.277 O=CC1=C(Br)C=C(F)C(Cl)=C1 55893 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.277 O=CC1=CC(Br)=C(O)C=C1O 95286 [1,1,0,0,0,0|0,0,0]=2 324 B11R1.277 O=CC1=CC(Cl)=C(Br)C=C1F C73035 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.277 O=CC1=CC(Cl)=C(Cl)C=C1O 32316 [1,1,0,0,0,0|1,0,0]=3 326 B11R1.277 O=CC1=CC(Cl)=C(O)C=C1O 28306 [1,1,0,0,0,0|0,0,0]=2 327 B11R1.277 O=CC1=CC(F)=C(Cl)C=C1O C71700 [1,1,0,0,0,0|1,0,0]=3 328 B11R1.277 O=CC1=CC(O)=C(Cl)C=C1Cl 55887 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.277 O=CC1=CC(O)=C(F)C=C1F 95639 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.278 CC1=C(Br)C=CC(C=O)=C1F 97126 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.278 CC1=C(C)C(O)=C(C=O)C=C1 D85771 [1,1,0,0,0,0|0,0,0]=2 332 B11R1.278 CC1=C(C=O)C=CC(F)=C1F 36621 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.278 CC1=C(F)C=CC(C=O)=C1Cl CL8266 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.278 CC1=CC=C(C=O)C(F)=C1Br 55479 [1,1,0,0,0,0|1,0,0]=3 335 B11R1.278 COC1=CC=C(O)C(Cl)=C1O Y14116 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.278 NC1=C(F)C(F)=CC=C1C=O W11424 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.278 NC1=CC=C(C=O)C(Cl)=C1F 84212 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.278 O=CC1=C(Cl)C(Cl)=C(Br)C=C1 W17436 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.278 O=CC1=C(O)C(Cl)=C(Br)C=C1 N17017 [1,1,0,0,0,0|1,0,0]=3 340 B11R1.278 O=CC1=C(O)C(O)=C(Br)C=C1 C13101 [1,1,0,0,0,0|1,0,0]=3 341 B11R1.278 O=CC1=CC=C(Cl)C(Cl)=C1O P16831 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.278 O=CC1=CC=C(Cl)C(O)=C1Cl CL9039 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.278 O=CC1=CC=C(F)C(Br)=C1F W17702 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.278 O=CC1=CC=C(F)C(F)=C1Br CL9577 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.278 O=CC1=CC=C(F)C(F)=C1Cl 27132 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.278 O=CC1=CC=C(F)C(O)=C1F 25244 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.278 O=CC1=CC=C(I)C(O)=C1I W15672 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.278 O=CC1=CC=C(O)C(F)=C1F CL8241 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.464 CC1=CC(Br)=C(C=O)C(O)=C1 53840 [1,1,0,0,0,0|0,0,0]=2 350 B11R1.464 CC1=CC(Br)=CC(F)=C1C=O 97125 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.464 CC1=CC(Cl)=C(C=O)C(Cl)=N1 D79309 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.464 CC1=CC(F)=C(C=O)C(F)=C1 87783 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.464 CC1=CC(F)=CC(Br)=C1C=O 34571 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.464 CC1=CC(F)=CC(Cl)=C1C=O 97116 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.464 CC1=CC(O)=C(C#N)C(C)=C1 95618 [1,1,0,0,0,0|1,0,1]=4 356 B11R1.464 CC1=CC(O)=C(C=O)C(C)=C1 34603 [1,1,0,0,0,0|0,0,0]=2 357 B11R1.464 NC1=CC(Br)=CC(Br)=C1C=O F15855 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.464 NC1=CC(F)=CC(F)=C1C=O C72062 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.464 O=CC1=C(Br)C=C(Br)C=C1O 93708 [1,1,0,0,0,0|1,0,0]=3 360 B11R1.464 O=CC1=C(Br)C=C(Cl)C=C1Br P19818 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.464 O=CC1=C(Br)C=C(F)C=C1Br 72378 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.464 O=CC1=C(Br)C=C(F)C=C1F 83954 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.464 O=CC1=C(Cl)C=C(Br)C=C1Cl 34567 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.464 O=CC1=C(Cl)C=C(Br)C=C1F 88213 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.464 O=CC1=C(Cl)C=C(Cl)C=C1F 34591 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.464 O=CC1=C(Cl)C=C(Cl)C=C1O C10676 [1,1,0,0,0,0|1,0,0]=3 367 B11R1.464 O=CC1=C(F)C=C(Br)C=C1O CL9632 [1,1,0,0,0,0|1,0,0]=3 368 B11R1.464 O=CC1=C(F)C=C(Cl)C=C1F 69172 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.14 COC1=CC(Br)=C(C)C(Br)=C1 36153 [1,1,0,0,0,0|1,0,1]=4 370 B11R1.14 COC1=CC(Br)=C(Cl)C(Cl)=C1 92263 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.14 COC1=CC(Br)=C(N)C(C)=C1 CL9734 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.14 COC1=CC(Br)=C(N)C(N)=C1 W16934 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.14 COC1=CC(Br)=C(O)C(Br)=C1 F15247 [1,1,0,0,0,0|1,0,1]=4 374 B11R1.14 COC1=CC(Br)=C(O)C(Cl)=C1 96420 [1,1,0,0,0,0|1,0,1]=4 375 B11R1.21 CC(=O)C1=CC(O)=C(Br)C=C1 AB10068 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.192 CCOC1=CC(F)=C(N)C=C1 A12546 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.192 CNCC1=CC(O)=C(O)C=C1 31716 [1,1,0,0,0,0|1,0,1]=4 378 B11R1.192 COCC1=CC(Br)=C(F)C=C1 N10448 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.192 COCC1=CC(N)=C(Br)C=C1 CL9396 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.192 OCCC1=CC(O)=C(O)C=C1 68063 [1,1,0,0,0,0|1,0,1]=4 381 B11R1.280 C=CC1=C(F)C=CC(OC)=C1 D85788 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.280 CCC1=C(Br)C=CC(OC)=C1 72075 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.280 CNC1=CC(OC)=C(F)C=C1 D94417 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.280 COC1=CC(CBr)=C(Cl)C=C1 83281 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.280 COC1=CC(CBr)=C(F)C=C1 72185 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.280 COC1=CC(CN)=C(Br)C=C1 Y11539 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.280 COC1=CC(CN)=C(Br)C=C1 Y11661 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.280 COC1=CC(CO)=C(Br)C=C1 77929 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.280 COC1=CC(CO)=C(Br)C=N1 54624 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.280 COC1=CC(CO)=C(O)C=C1 W16040 [1,1,0,0,0,0|0,0,1]=3 391 B11R1.280 COC1=CC(NN)=C(F)C=C1 35833 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.280 COC1=CC(OC)=C(N)N=C1 28153 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.280 COC1=CC(OC)=NC=C1N 28154 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.280 COC1=NC(CO)=C(Br)C=C1 AT10417 [1,1,0,0,0,0|2,0,0]=4 395 B13R1.38 CC(C)(C)C1=CC(Br)=C(C=O)C=C1 I11112 [0,2,0,0,0,0|2,0,0]=4 396 B13R1.120 CC(=O)C1=C(O)C=C([N+](=O)[O-])C=C1 P17929 [0,2,0,0,0,0|2,0,0]=4 397 B13R1.120 CC(=O)C1=CC(C)=C(C(=O)O)C=C1 F53493 [0,2,0,0,0,0|2,0,0]=4 398 B13R1.120 CC(=O)C1=CC(I)=C(C(=O)O)C=C1 D80417 [0,2,0,0,0,0|2,0,0]=4 399 B13R1.120 CC(=O)C1=CC(O)=C([N+](=O)[O-])C=C1 73770 [0,2,0,0,0,0|2,0,0]=4 400 B13R1.120 CC(C)C1=CC(F)=C(C(=O)O)C=C1 D80425 [0,2,0,0,0,0|2,0,0]=4 401 B13R1.652 COC1=C(Br)C=C(C(=O)O)C(C)=C1 95564 [0,2,0,0,0,0|1,0,0]=3 402 B13R1.652 COC1=C(Br)C=C([N+](=O)[O-])C(C)=C1 80679 [0,2,0,0,0,0|2,0,0]=4 403 B13R1.652 COC1=C(Br)C=C([N+](=O)[O-])C(N)=C1 P19063 [0,2,0,0,0,0|2,0,0]=4 404 B13R1.652 COC1=C(Cl)C=C(C(=O)O)C(N)=C1 90885 [0,2,0,0,0,0|1,0,0]=3 405 B13R1.652 COC1=C(F)C=C(C(=O)O)C(Cl)=N1 E70380 [0,2,0,0,0,0|2,0,0]=4 406 B13R1.652 COC1=C(F)C=C(C(=O)O)C(F)=C1 CL9195 [0,2,0,0,0,0|1,0,0]=3 407 B13R1.652 COC1=CC(Br)=C(C(=O)O)C=C1O A10677 [0,2,0,0,0,0|1,0,0]=3 408 B13R1.652 COC1=CC(Br)=C([N+](=O)[O-])C=C1N 80913 [0,2,0,0,0,0|2,0,0]=4 409 B13R1.652 COC1=CC(Cl)=C([N+](=O)[O-])C=C1N F17069 [0,2,0,0,0,0|2,0,0]=4 410 B13R1.3088 COC(=O)C1=CC(C)=C(C=O)C=C1 CL9388 [0,2,0,0,0,0|1,0,0]=3 411 B13R1.3088 COC(=O)C1=CC(O)=C(C=O)C=C1 98201 [0,2,0,0,0,0|0,0,0]=2 412 B13R1.3088 COC(=O)C1=CC=C(C=O)C(Cl)=N1 I11130 [0,2,0,0,0,0|2,0,0]=4 413 B13R1.3091 COC1=C(C=O)C=CC(C(=O)O)=C1 CL9726 [0,2,0,0,0,0|2,0,0]=4 414 B13R1.3096 COC1=C(C)C(C)=C(C(=O)O)C=C1 C11393 [0,2,0,0,0,0|1,0,0]=3 415 B13R1.3096 COC1=CC=C(C(C)=O)C(N)=C1Cl C77161 [0,2,0,0,0,0|1,0,0]=3 416 B13R1.99 CNC1=C([N+](=O)[O-])C=CC(OC)=C1 76310 [0,2,0,0,0,0|2,0,0]=4 417 B13R1.99 COC1=CC(OC)=C(C(=O)O)C=N1 97680 [0,2,0,0,0,0|1,0,0]=3 418 B13R1.99 COC1=CC(OC)=C([C@H](C)N)C=C1 N13080 [0,2,0,0,0,0|1,0,1]=4 419 B13R1.99 COC1=CC(OC)=C([C@H](C)N)C=C1 N13114 [0,2,0,0,0,0|1,0,1]=4 420 B13R1.99 COC1=CN=C([N+](=O)[O-])C(OC)=C1 60123 [0,2,0,0,0,0|2,0,0]=4 421 B13R1.99 COC1=NC(OC)=C([N+](=O)[O-])C=C1 D75060 [0,2,0,0,0,0|2,0,0]=4 422 B13R1.355 COC1=CC(CCO)=C(OC)C=C1 F20266 [0,2,0,0,0,0|2,0,0]=4 423 B13R1.434 COC1=CC(Br)=C(C=O)C(OC)=C1 W10333 [0,2,0,0,0,0|0,0,0]=2 424 B13R1.434 COC1=CC(Cl)=C(C=O)C(OC)=C1 F20278 [0,2,0,0,0,0|0,0,0]=2 425 B13R1.434 COC1=NC(OC)=C(C=O)C(Cl)=N1 C72357 [0,2,0,0,0,0|2,0,0]=4 426 B13R1.1249 COC1=CC(OC)=C(CNN)C=C1 74947 [0,2,0,0,0,0|1,0,1]=4 427 B13R1.2200 COC1=CC(Br)=C(OC)C=C1OC I11208 [0,2,0,0,0,0|2,0,0]=4 428 B13R1.2200 COC1=CC(C)=C(C=O)C=C1OC W16871 [0,2,0,0,0,0|1,0,0]=3 429 B13R1.2200 COC1=CC(Cl)=C(C=O)C=C1OC AC1567 [0,2,0,0,0,0|1,0,0]=3 430 B13R1.2200 COC1=CC(N)=C(C=O)C=C1OC F15879 [0,2,0,0,0,0|1,0,0]=3 431 B13R1.2200 COC1=CC(O)=C(C=O)C=C1OC 32264 [0,2,0,0,0,0|0,0,0]=2 432 B13R1.2200 COC1=CC(OC)=C(OC)C=C1N F19854 [0,2,0,0,0,0|2,0,0]=4 433 B13R1.2200 COC1=CC(OC)=C(OC)C=C1O W12391 [0,2,0,0,0,0|2,0,0]=4 434 B13R1.2422 COC1=CC=C(C=O)C(Br)=C1OC W13164 [0,2,0,0,0,0|1,0,0]=3 435 B13R1.2422 COC1=CC=C(C=O)C(F)=C1OC 98220 [0,2,0,0,0,0|1,0,0]=3 436 B13R1.2422 COC1=CC=C(C=O)C(OC)=C1Cl W13226 [0,2,0,0,0,0|0,0,0]=2 437 B13R1.2430 COC1=CC(C(=O)O)=C(C#N)C=C1 25266 [0,2,0,0,0,0|1,0,1]=4 438 B13R1.95 CNC(=O)C1=C(N)C=C(OC)C=C1 F15702 [0,2,0,0,0,0|1,0,0]=3 439 B13R1.95 COC(=O)C1=C(C)N=C(OC)C=C1 W12734 [0,2,0,0,0,0|2,0,0]=4 440 B13R1.95 COC(=O)C1=C(Cl)C=C(OC)N=C1 F51616 [0,2,0,0,0,0|2,0,0]=4 441 B13R1.95 COC(=O)C1=C(F)C=C(OC)C=N1 68838 [0,2,0,0,0,0|2,0,0]=4 442 B13R1.95 COC(=O)C1=C(I)C=C(OC)C=C1 21134 [0,2,0,0,0,0|1,0,0]=3 443 B13R1.95 COC(=O)C1=C(O)C=C(C=O)C=C1 O11938 [0,2,0,0,0,0|2,0,0]=4 444 B13R1.95 COC(=O)C1=C(O)C=C(CBr)C=C1 D93573 [0,2,0,0,0,0|2,0,0]=4 445 B13R1.95 COC(=O)C1=C(O)C=C(CO)C=C1 D93572 [0,2,0,0,0,0|2,0,0]=4 446 B13R1.95 COC(=O)C1=CC=C(OC)N=C1Br D82707 [0,2,0,0,0,0|2,0,0]=4 447 B13R1.95 COC(=O)C1=CC=C(OC)N=C1F 28013 [0,2,0,0,0,0|2,0,0]=4 448 B13R1.95 COC(=O)C1=NC=C(OC)C=C1C D83518 [0,2,0,0,0,0|2,0,0]=4 449 B13R1.95 COC(=O)C1=NC=C(OC)C=C1N D78810 [0,2,0,0,0,0|2,0,0]=4 450 B13R1.95 COC1=CC(Br)=C(C(=O)CBr)C=C1 AC3109 [0,2,0,0,0,0|1,0,0]=3 451 B13R1.1254 CCOC1=CC=C(C=O)C(F)=C1Cl 36774 [0,2,0,0,0,0|1,0,0]=3 452 B13R1.1254 CCOC1=CC=C(C=O)C(F)=C1F 36770 [0,2,0,0,0,0|1,0,0]=3 453 B13R1.385 CCOC1=CC(N)=C(C(=O)O)C=C1 D96193 [0,2,0,0,0,0|1,0,0]=3 454 B13R1.385 CCOC1=CC(N)=C([N+](=O)[O-])C=C1 W17379 [0,2,0,0,0,0|2,0,0]=4 455 B13R1.428 COC1=CC(Cl)=C([N+](=O)[O-])C(Cl)=C1 34488 [0,2,0,0,0,0|2,0,0]=4 456 B13R1.428 COC1=CC(F)=C([N+](=O)[O-])C(F)=C1 34501 [0,2,0,0,0,0|2,0,0]=4 457 B11R1.189 COC1=CC=CC(CC=O)=C1 W16819 [0,0,1,1,0,0|1,0,1]=4 458 B11R1.44 COC(=O)C1=CC(C=O)=CN1 94929 [0,0,1,1,0,0|2,0,0]=4 459 B11R2.190 C=CC1=CC2=C(C=C1)CC2 67824 [1,0,0,1,0,0|2,0,0]=4 460 B11R2.36 CC1=CC2=C(C=CS2)C=C1 C73204 [1,0,0,1,0,0|1,1,0]=4 461 B11R2.36 NC1=CC2=C(C=C1)C=NO2 26398 [1,0,0,1,0,0|2,0,0]=4 462 B11R2.36 NC1=CC2=C(C=CO2)C=C1 D70068 [1,0,0,1,0,0|2,0,0]=4 463 B11R2.36 OC1=CC2=C(C=C1)C=NO2 24777 [1,0,0,1,0,0|1,0,0]=3 464 B11R2.36 OC1=CC2=C(C=C1)CCO2 27138 [1,0,0,1,0,0|1,0,1]=4 465 B11R2.36 OC1=CC2=C(C=C1)N=CO2 D77541 [1,0,0,1,0,0|2,0,0]=4 466 B11R2.36 OC1=CC2=C(C=CO2)C=C1 84605 [1,0,0,1,0,0|1,0,0]=3 467 B13R2.57 COC1=CC2=C(C=C1)CCCO2 Y12024 [0,1,0,1,0,0|1,0,1]=4 468 B13R2.57 COC1=CC2=C(C=C1)NCCO2 C77229 [0,1,0,1,0,0|1,0,1]=4 469 B13R2.57 COC1=CC2=NC=CC=C2C=C1 31891 [0,1,0,1,0,0|2,0,0]=4 470 B13R2.2130 COC1=CC2=C(C=C1)C(=O)C=C2 N13246 [0,1,0,1,0,0|1,0,0]=3 471 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 88998 [0,1,0,1,0,0|0,0,0]=2 472 B13R2.2130 COC1=CC2=C(C=C1)C(=O)OC2 Y10227 [0,1,0,1,0,0|0,0,0]=2 473 B13R2.2130 COC1=CC2=C(C=C1)C(=O)ON2 W13527 [0,1,0,1,0,0|0,0,0]=2 474 B13R2.2130 COC1=CC2=C(C=C1)C(C)=CN2 D86192 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.2130 COC1=CC2=C(C=C1)C(C)=CO2 D82922 [0,1,0,1,0,0|1,0,0]=3 476 B13R2.2130 COC1=CC2=C(C=C1)C(C)=NO2 D78624 [0,1,0,1,0,0|1,0,0]=3 477 B13R2.2130 COC1=CC2=C(C=C1)C(I)=NN2 26188 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.654 COC1=CC(Br)=C2C=CNC2=C1 82086 [0,1,0,1,0,0|2,0,0]=4 479 B13R2.654 COC1=CC(C)=C2NC=CC2=C1 I10193 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.654 COC1=CC(N)=C2C=CNC2=C1 76369 [0,1,0,1,0,0|2,0,0]=4 481 B13R2.654 COC1=CC(N)=C2NC=CC2=C1 I11384 [0,1,0,1,0,0|2,0,0]=4 482 B13R2.2121 C#CC1=CC2=C(C=C1)NC(=O)O2 AC3197 [0,1,0,1,0,0|1,0,1]=4 483 B13R2.2121 COC1=CC2=C(C=C1)C=C(C)N2 69230 [0,1,0,1,0,0|2,0,0]=4 484 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)O2 O11603 [0,1,0,1,0,0|1,0,0]=3 485 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)S2 35610 [0,1,0,1,0,0|1,1,0]=4 486 B13R2.2121 COC1=CC2=C(C=C1)N=C(I)S2 86754 [0,1,0,1,0,0|1,1,0]=4 487 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)O2 52986 [0,1,0,1,0,0|1,0,0]=3 488 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 25963 [0,1,0,1,0,0|0,1,0]=3 489 B13R2.2121 COC1=CC2=C(C=C1)NC(C)=N2 AC6213 [0,1,0,1,0,0|2,0,0]=4 490 B13R2.2121 COC1=CC2=C(C=C1)NC(Cl)=N2 75507 [0,1,0,1,0,0|2,0,0]=4 491 B13R2.2121 COC1=CC2=C(C=C1)OC(Cl)=N2 F50763 [0,1,0,1,0,0|2,0,0]=4 492 B13R2.2121 COC1=CC2=C(C=C1)SC(=O)N2 36536 [0,1,0,1,0,0|1,0,0]=3 493 B13R2.2121 COC1=CC2=C(C=C1)SC(Cl)=N2 O10739 [0,1,0,1,0,0|2,0,0]=4 494 B13R2.2121 COC1=NC2=C(C=C1)CC(=O)N2 P20330 [0,1,0,1,0,0|2,0,0]=4 495 B13R2.599 COC1=C(Br)C=C2C=CNC2=C1 76248 [0,1,0,1,0,0|2,0,0]=4 496 B13R2.599 COC1=C(C)C=C2C=CNC2=C1 76375 [0,1,0,1,0,0|2,0,0]=4 497 B13R2.599 COC1=C(Cl)C=C2C=CNC2=C1 P10307 [0,1,0,1,0,0|2,0,0]=4 498 B13R2.599 COC1=C(Cl)C=C2C=NNC2=C1 I11265 [0,1,0,1,0,0|2,0,0]=4 499 B13R2.599 COC1=C(F)C=C2C=CNC2=C1 31986 [0,1,0,1,0,0|2,0,0]=4 500 B13R2.599 COC1=C(N)C=C2C=NNC2=C1 32010 [0,1,0,1,0,0|2,0,0]=4 501 B13R2.599 O=CC1=C(O)C=C2OCOC2=C1 Y11352 [0,1,0,1,0,0|0,0,0]=2 502 B9R1.132 CC1=CNC(C=O)=C1C 39169 [1,0,0,0,1,0|2,0,0]=4 503 B9R1.132 CC1=CSC(C=O)=C1Cl W10338 [1,0,0,0,1,0|2,0,0]=4 504 B11R1.9 COC1=CC(O)=CC(C=O)=C1 C75678 [0,0,0,0,1,1|0,0,0]=2 505 B11R1.267 COC1=C(Br)C(C=O)=CC=C1 59975 [0,0,0,0,1,1|1,0,0]=3 506 B11R1.267 COC1=CC=CC(C=O)=C1C CL9336 [0,0,0,0,1,1|1,0,0]=3 507 B11R1.267 O=CC1=CC=CC(C=O)=C1O C74711 [0,0,0,0,1,1|2,0,0]=4