0 B11R1.280 CCC1=C(Cl)C=CC(OC)=C1 5282 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.280 CCC1=C(F)C=CC(C#N)=C1 28744 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.280 CCC1=C(N)C=CC(C#N)=C1 16098 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.280 CCC1=C(N)C=CC(C#N)=C1 21039 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.280 CCC1=C(O)C=CC(C=O)=C1 28101 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.280 CCC1=CC(OC)=C(Cl)C=C1 5280 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.280 COC1=C(Br)C=CC(C#N)=C1 28722 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 30968 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.280 COC1=C(Br)C=CC(CO)=C1 31324 [0,0,0,0,0,0|1,0,2]=3 9 B11R1.280 COC1=C(C)C=CC(C#N)=C1 28758 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.280 COC1=C(C)C=CC(C=O)=C1 2646 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.280 COC1=C(Cl)C=CC(C#N)=C1 18681 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 30916 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.280 COC1=C(F)C=CC(C#N)=C1 3501 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.280 COC1=C(F)C=CC(C=O)=C1 1449 [0,0,0,0,0,0|1,0,0]=1 15 B11R1.280 COC1=C(F)C=CC(CBr)=C1 27471 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.280 COC1=C(F)C=CC(CN)=C1 27537 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.280 COC1=C(F)C=CC(CO)=C1 7734 [0,0,0,0,0,0|1,0,2]=3 18 B11R1.280 COC1=C(O)C=CC(C#N)=C1 13112 [0,0,0,0,0,0|1,0,1]=2 19 B11R1.280 COC1=C(O)C=CC(C=O)=C1 25440 [0,0,0,0,0,0|0,0,0]=0 20 B11R1.280 COC1=C(O)C=CC(CN)=C1 7385 [0,0,0,0,0,0|1,0,1]=2 21 B11R1.280 COC1=CC(C#N)=C(O)C=C1 30775 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.280 COC1=CC(C=O)=C(O)C=C1 2649 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.280 COC1=CC(OC)=C(Br)C=C1 3036 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.280 COC1=CC(OC)=C(Cl)C=C1 3041 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.280 COC1=CC(OC)=C(F)C=C1 28466 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.280 COC1=CC(OC)=C(I)C=C1 3053 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.280 COC1=CC(OC)=C(N)C=C1 16639 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.280 COC1=CC(OC)=C(S)C=C1 6882 [0,0,0,0,0,0|2,1,0]=3 29 B11R1.280 N#CC1=C(Br)C=CC(C=O)=C1 30993 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.280 N#CC1=C(F)C=CC(C=O)=C1 2252 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.280 N#CC1=CC(C#N)=C(O)C=C1 27702 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.280 N#CC1=CC(C=O)=C(O)C=C1 17451 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.30 CC1=CC(C#N)=C(O)C=C1 27632 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.30 CC1=CC=C(O)C(C=O)=C1 15680 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.30 CCC1=C(Cl)C=CC(O)=C1 2213 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.30 CCC1=C(F)C=CC(O)=C1 27790 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.30 CCC1=C(I)C=CC(Br)=C1 3773 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.30 CCC1=C(N)C=CC(Br)=C1 23174 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.30 CCC1=C(N)C=CC(Br)=C1 3769 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.30 CCC1=NC(C)=CC=C1O 35102 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.30 CNC1=C(O)C=CC(N)=C1 20872 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.30 CNC1=CC(Br)=CC=C1N 18337 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.30 COC1=C(Br)C=CC(Br)=C1 5357 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.30 COC1=C(Br)C=CC(C)=C1 4136 [1,0,0,0,0,0|1,0,1]=3 45 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 5265 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.30 COC1=C(Br)C=CC(F)=C1 4091 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.30 COC1=C(Br)C=CC(I)=C1 5333 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.30 COC1=C(Br)C=CC(N)=C1 3794 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.30 COC1=C(Br)C=CC(O)=C1 13260 [1,0,0,0,0,0|1,0,1]=3 50 B10R1.30 COC1=C(C)C=CC(Br)=C1 25292 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.30 COC1=C(C)C=CC(C)=C1 5360 [1,0,0,0,0,0|1,0,1]=3 52 B10R1.30 COC1=C(C)C=CC(Cl)=C1 2667 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.30 COC1=C(C)C=CC(F)=C1 2624 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.30 COC1=C(C)C=CC(N)=C1 3329 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 2632 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.30 COC1=C(Cl)C=CC(C)=C1 5299 [1,0,0,0,0,0|1,0,1]=3 57 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 3681 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.30 COC1=C(Cl)C=CC(F)=C1 2659 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.30 COC1=C(Cl)C=CC(I)=C1 5289 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.30 COC1=C(Cl)C=CC(N)=C1 3659 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.30 COC1=C(Cl)C=CC(O)=C1 28110 [1,0,0,0,0,0|1,0,1]=3 62 B10R1.30 COC1=C(Cl)N=CC(N)=C1 22114 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.30 COC1=C(F)C=CC(Br)=C1 18513 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.30 COC1=C(F)C=CC(C)=C1 8487 [1,0,0,0,0,0|1,0,1]=3 65 B10R1.30 COC1=C(F)C=CC(F)=C1 3456 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.30 COC1=C(F)C=CC(N)=C1 14566 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.30 COC1=C(F)C=CC(N)=C1 3022 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.30 COC1=C(F)C=CC(O)=C1 14358 [1,0,0,0,0,0|1,0,1]=3 69 B10R1.30 COC1=C(I)C=CC(Br)=C1 28357 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.30 COC1=C(I)C=CC(Cl)=C1 5293 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.30 COC1=C(I)C=CC(I)=C1 28130 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.30 COC1=C(I)C=CC(N)=C1 5352 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.30 COC1=C(N)C=CC(Br)=C1 2258 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.30 COC1=C(N)C=CC(F)=C1 28343 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.30 COC1=C(N)C=CC(I)=C1 25591 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.30 COC1=C(N)C=CC(O)=C1 18733 [1,0,0,0,0,0|1,0,1]=3 77 B10R1.30 COC1=C(N)C=CC(O)=C1 26950 [1,0,0,0,0,0|1,0,1]=3 78 B10R1.30 COC1=C(O)C=CC(Br)=C1 17271 [1,0,0,0,0,0|1,0,0]=2 79 B10R1.30 COC1=C(O)C=CC(Cl)=C1 3665 [1,0,0,0,0,0|1,0,0]=2 80 B10R1.30 COC1=C(O)C=CC(F)=C1 3880 [1,0,0,0,0,0|1,0,0]=2 81 B10R1.30 COC1=C(O)C=CC(I)=C1 17587 [1,0,0,0,0,0|1,0,0]=2 82 B10R1.30 COC1=C(O)C=CC(N)=C1 14144 [1,0,0,0,0,0|1,0,0]=2 83 B10R1.30 COC1=C(O)C=CC(N)=C1 33372 [1,0,0,0,0,0|1,0,0]=2 84 B10R1.30 COC1=CC(Br)=CN=C1Cl 35568 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.30 COC1=CC(Br)=CN=C1I 26836 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.30 COC1=CC(Cl)=CN=C1Br 5915 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.30 COC1=CC(I)=CN=C1Br 28124 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.30 COC1=CC(I)=CN=C1I 28122 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.30 COC1=NC(Br)=CC=C1N 21956 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.30 COC1=NC(C)=CC=C1Br 8122 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.30 COC1=NC(C)=CC=C1F 6585 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.30 COC1=NC(C)=CC=C1N 1266 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.30 N#CC1=C(O)C=CC(Br)=C1 3782 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.30 N#CC1=C(O)C=CC(Cl)=C1 33422 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.30 N#CC1=C(O)C=CC(I)=C1 20368 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 3779 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.30 O=CC1=C(O)C=CC(F)=C1 1444 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.30 O=CC1=C(O)C=CC(I)=C1 22695 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.30 O=CC1=C(O)C=CC(O)=C1 2285 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.30 O=CC1=CC(Cl)=CC=C1O 8203 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.30 OCC1=CC(Br)=CC=C1O 22564 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.172 CCC1=CC=CC(C#N)=C1 5432 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.172 CCC1=CC=CC(C=O)=C1 3073 [1,0,0,0,0,0|1,0,0]=2 104 B10R1.172 CNC1=CC=CC(NC)=C1 21395 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.172 CNC1=CC=CC(OC)=N1 15374 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.172 COC1=CC(C#N)=CN=C1 16544 [1,0,0,0,0,0|2,0,1]=4 107 B10R1.172 COC1=CC(C=O)=NC=C1 27798 [1,0,0,0,0,0|1,0,0]=2 108 B10R1.172 COC1=CC(CN)=NC=C1 27624 [1,0,0,0,0,0|2,0,1]=4 109 B10R1.172 COC1=CC(CN)=NC=C1 34573 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.172 COC1=CC(CO)=NC=C1 9295 [1,0,0,0,0,0|1,0,2]=4 111 B10R1.172 COC1=CC=CC(C#N)=C1 4813 [1,0,0,0,0,0|1,0,1]=3 112 B10R1.172 COC1=CC=CC(C=O)=C1 13614 [1,0,0,0,0,0|0,0,0]=1 113 B10R1.172 COC1=CC=CC(C=O)=N1 15345 [1,0,0,0,0,0|1,0,0]=2 114 B10R1.172 COC1=CC=CC(CBr)=C1 13585 [1,0,0,0,0,0|1,0,1]=3 115 B10R1.172 COC1=CC=CC(CCl)=C1 4653 [1,0,0,0,0,0|1,0,1]=3 116 B10R1.172 COC1=CC=CC(CN)=C1 7401 [1,0,0,0,0,0|1,0,1]=3 117 B10R1.172 COC1=CC=CC(CO)=C1 3095 [1,0,0,0,0,0|0,0,2]=3 118 B10R1.172 COC1=CC=CC(CO)=N1 16585 [1,0,0,0,0,0|1,0,2]=4 119 B10R1.172 COC1=CC=CC(OC)=N1 29237 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.172 COC1=CC=CC(SC)=C1 10653 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.172 COC1=CN=CC(C=O)=C1 27156 [1,0,0,0,0,0|1,0,0]=2 122 B10R1.172 COC1=CN=CC(OC)=C1 18112 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.172 COC1=NC=CC(C=O)=C1 17088 [1,0,0,0,0,0|1,0,0]=2 124 B10R1.172 COC1=NC=CC(CCl)=C1 24332 [1,0,0,0,0,0|2,0,1]=4 125 B10R1.172 CSC1=CC=CC(CCl)=C1 32305 [1,0,0,0,0,0|1,1,1]=4 126 B10R1.172 N#CC1=CC=CC(C=O)=C1 7766 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.172 O=CC1=CC(CBr)=CC=C1 17017 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.172 O=CC1=CC=CC(C=O)=C1 17622 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.172 O=CC1=CC=CC(C=O)=N1 22285 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.176 C=CC1=CC(O)=C(O)C=C1 35519 [1,0,0,0,0,0|1,0,0]=2 131 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 24757 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.176 CC1=C(Br)C=CC(C#N)=C1 3808 [1,0,0,0,0,0|2,0,1]=4 133 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 30935 [1,0,0,0,0,0|1,0,0]=2 134 B10R1.176 CC1=C(Br)C=CC(CBr)=C1 24290 [1,0,0,0,0,0|2,0,1]=4 135 B10R1.176 CC1=C(C)C=C(C#N)C=C1 14892 [1,0,0,0,0,0|2,0,1]=4 136 B10R1.176 CC1=C(C)C=C(C=O)C=C1 2535 [1,0,0,0,0,0|1,0,0]=2 137 B10R1.176 CC1=C(C)C=C(CCl)C=C1 14890 [1,0,0,0,0,0|2,0,1]=4 138 B10R1.176 CC1=C(C)C=C(CN)C=C1 4412 [1,0,0,0,0,0|2,0,1]=4 139 B10R1.176 CC1=C(C)C=C(CO)C=C1 2161 [1,0,0,0,0,0|1,0,2]=4 140 B10R1.176 CC1=C(C)C=C(NN)C=C1 19865 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.176 CC1=C(C)C=C(NN)C=C1 21448 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.176 CC1=C(C)C=C(NN)C=C1 7555 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 4183 [1,0,0,0,0,0|2,0,0]=3 144 B10R1.176 CC1=C(Cl)C=CC(C#N)=C1 8005 [1,0,0,0,0,0|2,0,1]=4 145 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 28400 [1,0,0,0,0,0|1,0,0]=2 146 B10R1.176 CC1=C(F)C=C(C=O)C=C1 1454 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.176 CC1=C(F)C=CC(C#N)=C1 1553 [1,0,0,0,0,0|2,0,1]=4 148 B10R1.176 CC1=C(F)C=CC(C=O)=C1 1457 [1,0,0,0,0,0|1,0,0]=2 149 B10R1.176 CC1=C(F)C=CC(CN)=C1 4495 [1,0,0,0,0,0|2,0,1]=4 150 B10R1.176 CC1=C(N)C=CC(C#N)=C1 4667 [1,0,0,0,0,0|2,0,1]=4 151 B10R1.176 CC1=C(O)C=C(C#N)C=C1 19802 [1,0,0,0,0,0|2,0,1]=4 152 B10R1.176 CC1=C(O)C=CC(C=O)=C1 8134 [1,0,0,0,0,0|0,0,0]=1 153 B10R1.176 CC1=CC(C=O)=CN=C1Br 19576 [1,0,0,0,0,0|2,0,0]=3 154 B10R1.176 CC1=CC(C=O)=CN=C1F 17126 [1,0,0,0,0,0|2,0,0]=3 155 B10R1.176 CC1=CC(C=O)=CN=C1O 27644 [1,0,0,0,0,0|1,0,0]=2 156 B10R1.176 CCC1=CC(N)=C(O)C=C1 27789 [1,0,0,0,0,0|2,0,1]=4 157 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 3644 [1,0,0,0,0,0|2,0,1]=4 158 B10R1.176 CCC1=CC=C(O)C(O)=C1 28104 [1,0,0,0,0,0|1,0,1]=3 159 B10R1.176 COC1=CC(Br)=C(O)C=C1 4135 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.176 COC1=CC(C)=C(Br)C=C1 3796 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.176 COC1=CC(C)=C(C)C=C1 5361 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.176 COC1=CC(C)=C(Cl)C=C1 2666 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.176 COC1=CC(C)=C(F)C=C1 2623 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.176 COC1=CC(C)=C(N)C=C1 28347 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.176 COC1=CC(C)=C(O)C=C1 31104 [1,0,0,0,0,0|2,0,0]=3 166 B10R1.176 COC1=CC(C)=C(S)C=C1 6886 [1,0,0,0,0,0|2,1,0]=4 167 B10R1.176 COC1=CC(Cl)=C(O)C=C1 3663 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.176 COC1=CC(F)=C(O)C=C1 15011 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.176 COC1=CC(O)=C(Br)C=C1 13262 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.176 COC1=CC(O)=C(C)C=C1 31114 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.176 COC1=CC(O)=C(Cl)C=C1 10217 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.176 COC1=CC(O)=C(F)C=C1 33440 [1,0,0,0,0,0|3,0,0]=4 173 B10R1.176 COC1=CC=C(O)C(O)=C1 33439 [1,0,0,0,0,0|2,0,0]=3 174 B10R1.176 N#CC1=CC(Br)=C(O)C=C1 3780 [1,0,0,0,0,0|2,0,1]=4 175 B10R1.176 N#CC1=CC(Cl)=C(O)C=C1 4726 [1,0,0,0,0,0|2,0,1]=4 176 B10R1.176 N#CC1=CC(F)=C(O)C=C1 2610 [1,0,0,0,0,0|2,0,1]=4 177 B10R1.176 N#CC1=CC(O)=C(Br)C=C1 33768 [1,0,0,0,0,0|2,0,1]=4 178 B10R1.176 N#CC1=CC(O)=C(Cl)C=C1 27837 [1,0,0,0,0,0|2,0,1]=4 179 B10R1.176 N#CC1=CC(O)=C(F)C=C1 28107 [1,0,0,0,0,0|2,0,1]=4 180 B10R1.176 N#CC1=CC(O)=C(I)C=C1 28752 [1,0,0,0,0,0|2,0,1]=4 181 B10R1.176 N#CC1=CC(O)=C(O)C=C1 3120 [1,0,0,0,0,0|1,0,1]=3 182 B10R1.176 NCC1=CC(O)=C(O)C=C1 21986 [1,0,0,0,0,0|1,0,1]=3 183 B10R1.176 O=CC1=CC(Br)=C(Cl)C=C1 7763 [1,0,0,0,0,0|2,0,0]=3 184 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 2878 [1,0,0,0,0,0|2,0,0]=3 185 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 3778 [1,0,0,0,0,0|1,0,0]=2 186 B10R1.176 O=CC1=CC(Cl)=C(Cl)C=C1 8230 [1,0,0,0,0,0|2,0,0]=3 187 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 1409 [1,0,0,0,0,0|2,0,0]=3 188 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 7764 [1,0,0,0,0,0|1,0,0]=2 189 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 4033 [1,0,0,0,0,0|2,0,0]=3 190 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 1412 [1,0,0,0,0,0|2,0,0]=3 191 B10R1.176 O=CC1=CC(F)=C(F)C=C1 1413 [1,0,0,0,0,0|2,0,0]=3 192 B10R1.176 O=CC1=CC(F)=C(I)C=C1 1440 [1,0,0,0,0,0|2,0,0]=3 193 B10R1.176 O=CC1=CC(F)=C(O)C=C1 1443 [1,0,0,0,0,0|1,0,0]=2 194 B10R1.176 O=CC1=CC(F)=C(O)C=C1 30905 [1,0,0,0,0,0|1,0,0]=2 195 B10R1.176 O=CC1=CC(I)=C(Br)C=C1 28095 [1,0,0,0,0,0|2,0,0]=3 196 B10R1.176 O=CC1=CC(I)=C(Cl)C=C1 28096 [1,0,0,0,0,0|2,0,0]=3 197 B10R1.176 O=CC1=CC(I)=C(F)C=C1 5255 [1,0,0,0,0,0|2,0,0]=3 198 B10R1.176 O=CC1=CC(I)=C(I)C=C1 28094 [1,0,0,0,0,0|2,0,0]=3 199 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 16848 [1,0,0,0,0,0|1,0,0]=2 200 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 30917 [1,0,0,0,0,0|1,0,0]=2 201 B10R1.176 O=CC1=CC(O)=C(I)C=C1 8597 [1,0,0,0,0,0|1,0,0]=2 202 B10R1.176 O=CC1=CC(O)=C(O)C=C1 8231 [1,0,0,0,0,0|0,0,0]=1 203 B10R1.176 O=CC1=CN=C(Br)C(Br)=C1 18593 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.176 O=CC1=CN=C(Cl)C(Cl)=C1 17061 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.176 O=CC1=CN=C(Cl)C(F)=C1 17052 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.176 O=CC1=CN=C(O)C(Cl)=C1 17091 [1,0,0,0,0,0|2,0,0]=3 207 B10R1.176 OCC1=CC(O)=C(F)C=C1 35161 [1,0,0,0,0,0|1,0,2]=4 208 B10R1.176 OCC1=CC(O)=C(I)C=C1 28804 [1,0,0,0,0,0|1,0,2]=4 209 B10R1.176 OCC1=CC(O)=C(O)C=C1 3025 [1,0,0,0,0,0|0,0,2]=3 210 B12R1.56 C#CC1=C(C)C=CC(C(=O)O)=C1 26789 [0,1,0,0,0,0|2,0,1]=4 211 B12R1.56 CC(=O)C1=CC(C#N)=C(Br)C=C1 31206 [0,1,0,0,0,0|3,0,0]=4 212 B12R1.56 CC(=O)C1=CC(C#N)=C(F)C=C1 31187 [0,1,0,0,0,0|3,0,0]=4 213 B12R1.56 CC(=O)C1=CC(C#N)=C(N)C=C1 28703 [0,1,0,0,0,0|3,0,0]=4 214 B12R1.56 CC1=C(C=O)C=C(C(=O)O)C=C1 30639 [0,1,0,0,0,0|3,0,0]=4 215 B12R1.56 CCC1=C(F)C=CC(C(=O)O)=C1 25823 [0,1,0,0,0,0|2,0,0]=3 216 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 28522 [0,1,0,0,0,0|2,0,0]=3 217 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 24786 [0,1,0,0,0,0|1,0,0]=2 218 B12R1.56 COC1=C(Br)C=CC([N+](=O)[O-])=C1 2536 [0,1,0,0,0,0|2,0,0]=3 219 B12R1.56 COC1=C(C)C=CC(B(O)O)=C1 5130 [0,1,0,0,0,0|2,0,1]=4 220 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 2672 [0,1,0,0,0,0|1,0,0]=2 221 B12R1.56 COC1=C(C)C=CC(C(C)=O)=C1 31231 [0,1,0,0,0,0|1,0,0]=2 222 B12R1.56 COC1=C(C)C=CC([N+](=O)[O-])=C1 2628 [0,1,0,0,0,0|2,0,0]=3 223 B12R1.56 COC1=C(Cl)C=CC(B(O)O)=C1 17400 [0,1,0,0,0,0|2,0,1]=4 224 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 4565 [0,1,0,0,0,0|1,0,0]=2 225 B12R1.56 COC1=C(Cl)C=CC([N+](=O)[O-])=C1 2625 [0,1,0,0,0,0|2,0,0]=3 226 B12R1.56 COC1=C(F)C=CC(B(O)O)=C1 29618 [0,1,0,0,0,0|2,0,1]=4 227 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 1394 [0,1,0,0,0,0|1,0,0]=2 228 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 4234 [0,1,0,0,0,0|1,0,0]=2 229 B12R1.56 COC1=C(I)C=CC([N+](=O)[O-])=C1 2668 [0,1,0,0,0,0|2,0,0]=3 230 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 3131 [0,1,0,0,0,0|1,0,0]=2 231 B12R1.56 COC1=C(N)C=CC([N+](=O)[O-])=C1 3332 [0,1,0,0,0,0|2,0,0]=3 232 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 33662 [0,1,0,0,0,0|1,0,1]=3 233 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 19485 [0,1,0,0,0,0|0,0,0]=1 234 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 3315 [0,1,0,0,0,0|0,0,0]=1 235 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 16519 [0,1,0,0,0,0|1,0,0]=2 236 B12R1.56 COC1=CC(C(=O)O)=CNC1=O 26785 [0,1,0,0,0,0|1,0,1]=3 237 B12R1.56 COC1=CC([N+](=O)[O-])=CN=C1Cl 24171 [0,1,0,0,0,0|3,0,0]=4 238 B12R1.56 COc1cc([N+](=O)[O-])cc[n+]1[O-] 6597 [0,1,0,0,0,0|2,0,1]=4 239 B12R1.56 COc1cc([N+](=O)[O-])ccc1F 1055 [0,1,0,0,0,0|2,0,0]=3 240 B12R1.56 CSC1=C(Br)C=CC([N+](=O)[O-])=C1 3033 [0,1,0,0,0,0|2,1,0]=4 241 B12R1.56 N#CC1=C(Br)C=CC(C(=O)O)=C1 30573 [0,1,0,0,0,0|3,0,0]=4 242 B12R1.56 N#CC1=C(F)C=CC(C(=O)O)=C1 4601 [0,1,0,0,0,0|3,0,0]=4 243 B12R1.56 N#CC1=C(N)C=CC(C(=O)O)=C1 30606 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 16076 [0,1,0,0,0,0|2,0,0]=3 245 B12R1.56 N#CC1=C(O)C=CC([N+](=O)[O-])=C1 27609 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.56 O=CC1=C(F)C=CC(C(=O)O)=C1 30476 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.56 O=CC1=C(O)C=CC(C(=O)O)=C1 25762 [0,1,0,0,0,0|2,0,0]=3 248 B12R1.56 O=CC1=C(O)C=CC([N+](=O)[O-])=C1 2052 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.78 C#CC1=CC(OC)=C(OC)C=C1 19824 [0,1,0,0,0,0|1,0,1]=3 250 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 3047 [0,1,0,0,0,0|3,0,0]=4 251 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 3046 [0,1,0,0,0,0|1,0,1]=3 252 B12R1.78 COC1=C(C=O)C=CC(C#N)=C1 17019 [0,1,0,0,0,0|1,0,2]=4 253 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 8124 [0,1,0,0,0,0|1,0,1]=3 254 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 8238 [0,1,0,0,0,0|0,0,0]=1 255 B12R1.78 COC1=C(OC)C=C(CCl)C=C1 13181 [0,1,0,0,0,0|1,0,1]=3 256 B12R1.78 COC1=C(OC)C=C(CN)C=C1 7394 [0,1,0,0,0,0|1,0,1]=3 257 B12R1.78 COC1=C(OC)C=C(CO)C=C1 7452 [0,1,0,0,0,0|0,0,2]=3 258 B12R1.78 COC1=CC(OC)=C(C#N)C=C1 13105 [0,1,0,0,0,0|3,0,0]=4 259 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 8220 [0,1,0,0,0,0|2,0,1]=4 260 B12R1.78 COC1=CC(OC)=C(CCl)C=C1 27178 [0,1,0,0,0,0|3,0,0]=4 261 B12R1.78 COC1=CC(OC)=C(CN)C=C1 7397 [0,1,0,0,0,0|3,0,0]=4 262 B12R1.78 COC1=CC(OC)=C(CN)C=C1 7398 [0,1,0,0,0,0|3,0,0]=4 263 B12R1.78 COC1=CC(OC)=C(CO)C=C1 7454 [0,1,0,0,0,0|2,0,0]=3 264 B12R1.270 CCOC1=C(Br)C=CC(C#N)=C1 7753 [0,1,0,0,0,0|2,0,1]=4 265 B12R1.270 CCOC1=C(Cl)C=CC(C#N)=C1 8001 [0,1,0,0,0,0|2,0,1]=4 266 B12R1.286 COC1=C(C)C=CC(CC#N)=C1 12778 [0,1,0,0,0,0|2,0,1]=4 267 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 14775 [0,1,0,0,0,0|1,0,1]=3 268 B12R1.286 COC1=C(O)C=CC(CCN)=C1 34925 [0,1,0,0,0,0|1,0,1]=3 269 B12R1.300 COC1=C(O)C(Br)=CC(C=O)=C1 8197 [0,1,0,0,0,0|0,0,0]=1 270 B12R1.300 COC1=CC(C=O)=CC(F)=C1F 30893 [0,1,0,0,0,0|1,0,0]=2 271 B12R1.300 COC1=CC(C=O)=CC(F)=C1O 10464 [0,1,0,0,0,0|0,0,0]=1 272 B12R1.300 COC1=CC(C=O)=CC(O)=C1O 8233 [0,1,0,0,0,0|0,0,0]=1 273 B12R1.300 COC1=CC(F)=C(Br)C(OC)=C1 3038 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.300 COC1=CC(N)=C(F)C(OC)=C1 28318 [0,1,0,0,0,0|3,0,0]=4 275 B12R1.449 CCC1=CC(OC)=C(O)C=C1F 26368 [0,1,0,0,0,0|1,0,1]=3 276 B12R1.449 N#CC1=CC(C=O)=C(F)C=C1F 30975 [0,1,0,0,0,0|3,0,0]=4 277 B12R1.453 CC1=C(C(=O)O)C=C(C=O)C=C1 30646 [0,1,0,0,0,0|3,0,0]=4 278 B12R1.453 CC1=C([N+](=O)[O-])C=C(C=O)C=C1 8157 [0,1,0,0,0,0|3,0,0]=4 279 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 13248 [0,1,0,0,0,0|3,0,0]=4 280 B12R1.453 COC1=CC(C(C)C)=C(O)C=C1 26583 [0,1,0,0,0,0|3,0,0]=4 281 B12R1.453 NC(=O)C1=C(O)C=CC(C=O)=C1 30314 [0,1,0,0,0,0|2,0,0]=3 282 B12R1.453 O=CC1=CC(B(O)O)=C(Cl)C=C1 32686 [0,1,0,0,0,0|3,0,0]=4 283 B12R1.453 O=CC1=CC(B(O)O)=C(F)C=C1 1846 [0,1,0,0,0,0|3,0,0]=4 284 B12R1.453 O=CC1=CC([N+](=O)[O-])=C(Br)C=C1 30907 [0,1,0,0,0,0|3,0,0]=4 285 B12R1.453 O=CC1=CC([N+](=O)[O-])=C(Cl)C=C1 14274 [0,1,0,0,0,0|3,0,0]=4 286 B12R1.453 O=CC1=CC([N+](=O)[O-])=C(F)C=C1 22572 [0,1,0,0,0,0|3,0,0]=4 287 B12R1.453 O=CC1=CC([N+](=O)[O-])=C(O)C=C1 8135 [0,1,0,0,0,0|2,0,0]=3 288 B12R1.453 O=CC1=CC=C(O)C(C(=O)O)=C1 10569 [0,1,0,0,0,0|2,0,0]=3 289 B12R1.654 COC1=C(Br)C=CC(C#N)=C1F 30824 [0,1,0,0,0,0|2,0,1]=4 290 B12R1.654 COC1=C(F)C(OC)=C(N)C=C1 10109 [0,1,0,0,0,0|3,0,0]=4 291 B12R1.654 COC1=C(F)C=CC(C#N)=C1F 4765 [0,1,0,0,0,0|2,0,1]=4 292 B12R1.654 COC1=C(F)C=CC(C=O)=C1F 25895 [0,1,0,0,0,0|1,0,0]=2 293 B12R2.44 ClCC1=CC2=C(C=C1)OCC2 7796 [0,0,0,1,0,0|2,0,1]=4 294 B12R2.44 ClCC1=CC2=C(C=C1)OCO2 35833 [0,0,0,1,0,0|1,0,1]=3 295 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 15358 [0,0,0,1,0,0|1,0,1]=3 296 B12R2.44 NCC1=CC2=C(C=C1)OCC2 6985 [0,0,0,1,0,0|2,0,1]=4 297 B12R2.44 NCC1=CC2=C(C=C1)OCO2 7387 [0,0,0,1,0,0|1,0,1]=3 298 B12R2.44 O=CC1=CC2=C(C=C1)NC=N2 9866 [0,0,0,1,0,0|2,0,1]=4 299 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 7015 [0,0,0,1,0,0|1,0,1]=3 300 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 13007 [0,0,0,1,0,0|1,0,0]=2 301 B12R2.44 O=CC1=CC2=C(C=C1)SN=N2 20226 [0,0,0,1,0,0|2,1,0]=4 302 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 28005 [0,0,0,1,0,0|1,0,1]=3 303 B12R2.44 O=CC1=CC2=C(C=CS2)C=C1 32443 [0,0,0,1,0,0|1,1,1]=4 304 B12R2.44 O=CC1=CC2=NON=C2C=C1 14542 [0,0,0,1,0,0|3,0,0]=4 305 B12R2.44 O=CC1=CC=C2C=CNC2=C1 7176 [0,0,0,1,0,0|2,0,1]=4 306 B12R2.44 O=CC1=CC=C2C=NNC2=C1 23878 [0,0,0,1,0,0|3,0,0]=4 307 B12R2.44 O=CC1=CC=C2CCCC2=C1 21537 [0,0,0,1,0,0|2,0,0]=3 308 B12R2.44 O=CC1=CC=C2NC=CC2=C1 7172 [0,0,0,1,0,0|2,0,1]=4 309 B12R2.44 O=CC1=CC=C2NN=CC2=C1 18181 [0,0,0,1,0,0|3,0,0]=4 310 B12R2.44 OCC1=CC2=C(C=C1)CCO2 33826 [0,0,0,1,0,0|1,0,2]=4 311 B12R2.44 OCC1=CC2=C(C=C1)OCC2 7802 [0,0,0,1,0,0|1,0,2]=4 312 B12R2.44 OCC1=CC2=C(C=C1)OCO2 13179 [0,0,0,1,0,0|0,0,2]=3 313 B9R1.2 C=CC1=CC(Br)=CC=C1 23859 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.2 C=CC1=CC=CC(C)=N1 25969 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.2 CC1=CC(C=O)=CC=C1 15513 [2,0,0,0,0,0|0,0,0]=2 316 B9R1.2 CC1=CC(C=O)=NC=C1 17166 [2,0,0,0,0,0|1,0,0]=3 317 B9R1.2 CC1=CC=CC(C=O)=N1 15904 [2,0,0,0,0,0|1,0,0]=3 318 B9R1.2 CC1=CC=CC(CF)=C1 28809 [2,0,0,0,0,0|1,0,1]=4 319 B9R1.2 CC1=CC=CC(CN)=C1 10198 [2,0,0,0,0,0|1,0,1]=4 320 B9R1.2 CC1=CC=CC(NN)=C1 6397 [2,0,0,0,0,0|2,0,0]=4 321 B9R1.2 CC1=NC=CC(C=O)=N1 21493 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.2 CCC1=CC=CC(Br)=C1 3771 [2,0,0,0,0,0|2,0,0]=4 323 B9R1.2 CCC1=CC=CC(N)=C1 13534 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.2 CCC1=CC=CC(O)=C1 10772 [2,0,0,0,0,0|1,0,1]=4 325 B9R1.2 CNC1=CC(Cl)=CC=C1 9202 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.2 CNC1=CC(F)=CC=C1 24835 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.2 CNC1=CC=CC(O)=C1 27611 [2,0,0,0,0,0|1,0,1]=4 328 B9R1.2 COC1=CC(Br)=CC=C1 13575 [2,0,0,0,0,0|1,0,0]=3 329 B9R1.2 COC1=CC(Br)=NC=C1 5957 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.2 COC1=CC(Cl)=CC=C1 3615 [2,0,0,0,0,0|1,0,0]=3 331 B9R1.2 COC1=CC(Cl)=NC=C1 6204 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.2 COC1=CC(F)=CC=C1 3474 [2,0,0,0,0,0|1,0,0]=3 333 B9R1.2 COC1=CC(F)=NC=C1 34821 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.2 COC1=CC(I)=CC=C1 3904 [2,0,0,0,0,0|1,0,0]=3 335 B9R1.2 COC1=CC(N)=NC=C1 16566 [2,0,0,0,0,0|2,0,0]=4 336 B9R1.2 COC1=CC(N)=NC=C1 5700 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.2 COC1=CC(O)=CC=C1 13577 [2,0,0,0,0,0|0,0,1]=3 338 B9R1.2 COC1=CC=CC(Br)=N1 9206 [2,0,0,0,0,0|2,0,0]=4 339 B9R1.2 COC1=CC=CC(Cl)=N1 13194 [2,0,0,0,0,0|2,0,0]=4 340 B9R1.2 COC1=CC=CC(I)=N1 9288 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.2 COC1=CC=CC(N)=C1 8374 [2,0,0,0,0,0|1,0,0]=3 342 B9R1.2 COC1=CC=CC(N)=N1 12919 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.2 COC1=CC=CC(S)=C1 6817 [2,0,0,0,0,0|0,1,0]=3 344 B9R1.2 COC1=CN=CC(Br)=C1 5085 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.2 COC1=CN=CC(I)=C1 16704 [2,0,0,0,0,0|2,0,0]=4 346 B9R1.2 COC1=CN=CC(N)=C1 22353 [2,0,0,0,0,0|2,0,0]=4 347 B9R1.2 COC1=CN=CC(O)=C1 27157 [2,0,0,0,0,0|1,0,1]=4 348 B9R1.2 COC1=NC=CC(Br)=C1 6657 [2,0,0,0,0,0|2,0,0]=4 349 B9R1.2 COC1=NC=CC(C)=C1 6598 [2,0,0,0,0,0|1,0,1]=4 350 B9R1.2 COC1=NC=CC(Cl)=C1 15650 [2,0,0,0,0,0|2,0,0]=4 351 B9R1.2 COC1=NC=CC(Cl)=C1 6663 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.2 COC1=NC=CC(F)=C1 6596 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.2 COC1=NC=CC(I)=C1 17128 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.2 COC1=NC=CC(N)=C1 32235 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.2 COC1=NC=CC(N)=C1 6595 [2,0,0,0,0,0|2,0,0]=4 356 B9R1.2 COC1=NC=CC(O)=C1 35149 [2,0,0,0,0,0|1,0,1]=4 357 B9R1.2 CSC1=CC(Br)=CC=C1 10649 [2,0,0,0,0,0|1,1,0]=4 358 B9R1.2 CSC1=CC(C)=CC=C1 10793 [2,0,0,0,0,0|0,1,1]=4 359 B9R1.2 CSC1=CC(Cl)=CC=C1 10644 [2,0,0,0,0,0|1,1,0]=4 360 B9R1.2 CSC1=CC(F)=CC=C1 10640 [2,0,0,0,0,0|1,1,0]=4 361 B9R1.2 CSC1=CC(I)=CC=C1 10669 [2,0,0,0,0,0|1,1,0]=4 362 B9R1.2 CSC1=CC(N)=CC=C1 10635 [2,0,0,0,0,0|1,1,0]=4 363 B9R1.2 N#CC1=CC(O)=CC=C1 13113 [2,0,0,0,0,0|1,0,1]=4 364 B9R1.2 O=CC1=CC(Br)=CC=C1 3728 [2,0,0,0,0,0|1,0,0]=3 365 B9R1.2 O=CC1=CC(Br)=CN=C1 7706 [2,0,0,0,0,0|2,0,0]=4 366 B9R1.2 O=CC1=CC(Br)=NC=C1 5075 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.2 O=CC1=CC(Cl)=CC=C1 10800 [2,0,0,0,0,0|1,0,0]=3 368 B9R1.2 O=CC1=CC(Cl)=NC=C1 5099 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.2 O=CC1=CC(F)=CC=C1 3477 [2,0,0,0,0,0|1,0,0]=3 370 B9R1.2 O=CC1=CC(F)=NC=C1 17094 [2,0,0,0,0,0|2,0,0]=4 371 B9R1.2 O=CC1=CC(I)=CC=C1 3917 [2,0,0,0,0,0|1,0,0]=3 372 B9R1.2 O=CC1=CC(O)=CC=C1 7767 [2,0,0,0,0,0|0,0,0]=2 373 B9R1.2 O=CC1=CC(O)=CN=C1 23673 [2,0,0,0,0,0|1,0,0]=3 374 B9R1.2 O=CC1=CC(O)=NC=C1 9345 [2,0,0,0,0,0|1,0,0]=3 375 B9R1.2 O=CC1=CC=CC(F)=N1 15245 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.2 O=CC1=CN=CC(Br)=C1 16604 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.2 O=CC1=CN=CC(Cl)=C1 16702 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.2 O=CC1=CN=CC(F)=C1 5151 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.2 O=CC1=CN=CC(I)=C1 16653 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.2 O=CC1=NC(Br)=CC=C1 3196 [2,0,0,0,0,0|2,0,0]=4 381 B9R1.2 O=CC1=NC(Br)=CC=C1 9209 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.2 O=CC1=NC(Cl)=CC=C1 13323 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.2 O=CC1=NC=CC(Cl)=C1 24779 [2,0,0,0,0,0|2,0,0]=4 384 B9R1.15 CCC1=C(Br)C=CC=C1 3770 [2,0,0,0,0,0|2,0,0]=4 385 B9R1.15 CCC1=C(I)C=CC=C1 3876 [2,0,0,0,0,0|2,0,0]=4 386 B9R1.15 CCC1=C(N)C=CC=C1 20945 [2,0,0,0,0,0|2,0,0]=4 387 B9R1.15 CCC1=C(N)C=CC=C1 21080 [2,0,0,0,0,0|2,0,0]=4 388 B9R1.15 CCC1=C(O)C=CC=C1 3871 [2,0,0,0,0,0|1,0,0]=3 389 B9R1.15 CCC1=C(S)C=CC=C1 6844 [2,0,0,0,0,0|1,1,0]=4 390 B9R1.15 CNC1=C(F)C=CC=C1 15527 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.15 CNC1=CC=CC=C1N 14987 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.15 COC1=C(Br)C=CC=C1 3725 [2,0,0,0,0,0|1,0,0]=3 393 B9R1.15 COC1=C(Br)C=CN=C1 20095 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.15 COC1=C(Br)C=CN=C1 34713 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.15 COC1=C(Br)C=NC=C1 6686 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.15 COC1=C(C)C=CN=C1 34674 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.15 COC1=C(Cl)C=CC=C1 3614 [2,0,0,0,0,0|1,0,0]=3 398 B9R1.15 COC1=C(Cl)C=CN=C1 33677 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.15 COC1=C(Cl)C=NC=C1 6687 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.15 COC1=C(F)C=CC=C1 3473 [2,0,0,0,0,0|1,0,0]=3 401 B9R1.15 COC1=C(I)C=CC=C1 3898 [2,0,0,0,0,0|1,0,0]=3 402 B9R1.15 COC1=C(I)C=NC=C1 34558 [2,0,0,0,0,0|2,0,0]=4 403 B9R1.15 COC1=C(N)C=CN=C1 27755 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.15 COC1=C(O)C=CN=C1 34289 [2,0,0,0,0,0|1,0,0]=3 405 B9R1.15 COC1=C(S)C=CC=C1 6816 [2,0,0,0,0,0|0,1,0]=3 406 B9R1.15 COC1=CC=CC=C1O 26545 [2,0,0,0,0,0|0,0,0]=2 407 B9R1.15 COC1=CC=CN=C1Br 5916 [2,0,0,0,0,0|2,0,0]=4 408 B9R1.15 COC1=CC=CN=C1C 6637 [2,0,0,0,0,0|2,0,0]=4 409 B9R1.15 COC1=CC=CN=C1Cl 6146 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.15 COC1=CC=CN=C1N 28123 [2,0,0,0,0,0|2,0,0]=4 411 B9R1.15 COC1=CC=CN=C1O 6543 [2,0,0,0,0,0|1,0,0]=3 412 B9R1.15 COC1=NC=CC=C1Br 1180 [2,0,0,0,0,0|2,0,0]=4 413 B9R1.15 COC1=NC=CC=C1C 6594 [2,0,0,0,0,0|2,0,0]=4 414 B9R1.15 COC1=NC=CC=C1Cl 1189 [2,0,0,0,0,0|2,0,0]=4 415 B9R1.15 COC1=NC=CC=C1F 10624 [2,0,0,0,0,0|2,0,0]=4 416 B9R1.15 COC1=NC=CC=C1I 6586 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.15 COC1=NC=CC=C1N 1269 [2,0,0,0,0,0|2,0,0]=4 418 B9R1.15 CSC1=C(Br)C=CC=C1 10648 [2,0,0,0,0,0|1,1,0]=4 419 B9R1.15 CSC1=C(C)C=CC=C1 10730 [2,0,0,0,0,0|1,1,0]=4 420 B9R1.15 CSC1=C(Cl)C=CC=C1 10643 [2,0,0,0,0,0|1,1,0]=4 421 B9R1.15 CSC1=C(F)C=CC=C1 10638 [2,0,0,0,0,0|1,1,0]=4 422 B9R1.15 CSC1=C(I)C=CC=C1 10668 [2,0,0,0,0,0|1,1,0]=4 423 B9R1.15 CSC1=C(N)C=CC=C1 10633 [2,0,0,0,0,0|1,1,0]=4 424 B9R1.15 CSC1=C(O)C=CC=C1 10666 [2,0,0,0,0,0|0,1,0]=3 425 B9R1.15 N#CC1=C(O)C=CC=C1 4803 [2,0,0,0,0,0|2,0,0]=4 426 B9R1.15 NCC1=C(O)C=CC=C1 7383 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.15 OCC1=C(O)C=CC=C1 21869 [2,0,0,0,0,0|2,0,0]=4 428 B9R1.69 CC1=C(Br)C=CC(Br)=C1 3922 [2,0,0,0,0,0|2,0,0]=4 429 B9R1.69 CC1=C(Br)C=CC(Cl)=C1 3600 [2,0,0,0,0,0|2,0,0]=4 430 B9R1.69 CC1=C(Br)C=CC(F)=C1 1603 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.69 CC1=C(Br)C=CC(I)=C1 3791 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.69 CC1=C(Br)C=CC(N)=C1 4339 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.69 CC1=C(Br)C=CC(N)=C1 5368 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.69 CC1=C(Br)C=CC(O)=C1 2201 [2,0,0,0,0,0|1,0,1]=4 435 B9R1.69 CC1=C(C)C=C(Br)C=C1 3764 [2,0,0,0,0,0|2,0,0]=4 436 B9R1.69 CC1=C(C)C=C(Cl)C=C1 3641 [2,0,0,0,0,0|2,0,0]=4 437 B9R1.69 CC1=C(C)C=C(F)C=C1 14118 [2,0,0,0,0,0|2,0,0]=4 438 B9R1.69 CC1=C(C)C=C(I)C=C1 3105 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.69 CC1=C(C)C=C(O)C=C1 21761 [2,0,0,0,0,0|1,0,1]=4 440 B9R1.69 CC1=C(C)C=C(S)C=C1 6812 [2,0,0,0,0,0|1,1,0]=4 441 B9R1.69 CC1=C(Cl)C=CC(Br)=C1 3604 [2,0,0,0,0,0|2,0,0]=4 442 B9R1.69 CC1=C(Cl)C=CC(Cl)=C1 3700 [2,0,0,0,0,0|2,0,0]=4 443 B9R1.69 CC1=C(Cl)C=CC(F)=C1 1606 [2,0,0,0,0,0|2,0,0]=4 444 B9R1.69 CC1=C(Cl)C=CC(I)=C1 3653 [2,0,0,0,0,0|2,0,0]=4 445 B9R1.69 CC1=C(Cl)C=CC(N)=C1 3439 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.69 CC1=C(F)C=CC(Br)=C1 1599 [2,0,0,0,0,0|2,0,0]=4 447 B9R1.69 CC1=C(F)C=CC(Cl)=C1 1609 [2,0,0,0,0,0|2,0,0]=4 448 B9R1.69 CC1=C(F)C=CC(F)=C1 1613 [2,0,0,0,0,0|2,0,0]=4 449 B9R1.69 CC1=C(F)C=CC(I)=C1 1619 [2,0,0,0,0,0|2,0,0]=4 450 B9R1.69 CC1=C(F)C=CC(N)=C1 1513 [2,0,0,0,0,0|2,0,0]=4 451 B9R1.69 CC1=C(F)C=CC(O)=C1 1501 [2,0,0,0,0,0|1,0,1]=4 452 B9R1.69 CC1=C(I)C=CC(Br)=C1 3793 [2,0,0,0,0,0|2,0,0]=4 453 B9R1.69 CC1=C(I)C=CC(Cl)=C1 25479 [2,0,0,0,0,0|2,0,0]=4 454 B9R1.69 CC1=C(I)C=CC(F)=C1 1624 [2,0,0,0,0,0|2,0,0]=4 455 B9R1.69 CC1=C(I)C=CC(O)=C1 23022 [2,0,0,0,0,0|1,0,1]=4 456 B9R1.69 CC1=C(N)C=CC(Br)=C1 15188 [2,0,0,0,0,0|2,0,0]=4 457 B9R1.69 CC1=C(N)C=CC(Br)=C1 3800 [2,0,0,0,0,0|2,0,0]=4 458 B9R1.69 CC1=C(N)C=CC(Br)=C1 3803 [2,0,0,0,0,0|2,0,0]=4 459 B9R1.69 CC1=C(N)C=CC(Cl)=C1 10759 [2,0,0,0,0,0|2,0,0]=4 460 B9R1.69 CC1=C(N)C=CC(F)=C1 1508 [2,0,0,0,0,0|2,0,0]=4 461 B9R1.69 CC1=C(N)C=CC(I)=C1 3318 [2,0,0,0,0,0|2,0,0]=4 462 B9R1.69 CC1=C(N)C=CC(O)=C1 22012 [2,0,0,0,0,0|1,0,1]=4 463 B9R1.69 CC1=C(O)C=C(Br)C=C1 4132 [2,0,0,0,0,0|2,0,0]=4 464 B9R1.69 CC1=C(O)C=C(Cl)C=C1 3674 [2,0,0,0,0,0|2,0,0]=4 465 B9R1.69 CC1=C(O)C=C(F)C=C1 1502 [2,0,0,0,0,0|2,0,0]=4 466 B9R1.69 CC1=C(O)C=C(N)C=C1 8207 [2,0,0,0,0,0|2,0,0]=4 467 B9R1.69 CC1=C(O)C=C(O)C=C1 27666 [2,0,0,0,0,0|1,0,1]=4 468 B9R1.69 CC1=C(O)C=CC(Br)=C1 7106 [2,0,0,0,0,0|1,0,0]=3 469 B9R1.69 CC1=C(O)C=CC(Cl)=C1 3673 [2,0,0,0,0,0|1,0,0]=3 470 B9R1.69 CC1=C(O)C=CC(F)=C1 1500 [2,0,0,0,0,0|1,0,0]=3 471 B9R1.69 CC1=C(O)C=CC(S)=C1 6863 [2,0,0,0,0,0|0,1,0]=3 472 B9R1.69 CC1=C(S)C=CC(F)=C1 6870 [2,0,0,0,0,0|1,1,0]=4 473 B9R1.69 CC1=CC(=O)C=CC1=O 14604 [2,0,0,0,0,0|0,0,1]=3 474 B9R1.69 CC1=CC(Br)=C(O)C=C1 4096 [2,0,0,0,0,0|1,0,1]=4 475 B9R1.69 CC1=CC(Br)=CN=C1O 6562 [2,0,0,0,0,0|2,0,0]=4 476 B9R1.69 CC1=CC(C)=C(Br)C=C1 3762 [2,0,0,0,0,0|1,0,1]=4 477 B9R1.69 CC1=CC(C)=C(Cl)C=C1 3639 [2,0,0,0,0,0|1,0,1]=4 478 B9R1.69 CC1=CC(C)=C(I)C=C1 3869 [2,0,0,0,0,0|1,0,1]=4 479 B9R1.69 CC1=CC(C)=C(N)C=C1 15152 [2,0,0,0,0,0|1,0,1]=4 480 B9R1.69 CC1=CC(C)=C(O)C=C1 21747 [2,0,0,0,0,0|0,0,1]=3 481 B9R1.69 CC1=CC(C)=C(S)C=C1 6810 [2,0,0,0,0,0|0,1,1]=4 482 B9R1.69 CC1=CC(Cl)=C(O)C=C1 3672 [2,0,0,0,0,0|1,0,1]=4 483 B9R1.69 CC1=CC(Cl)=CN=C1O 9824 [2,0,0,0,0,0|2,0,0]=4 484 B9R1.69 CC1=CC(O)=C(Br)C=C1 25283 [2,0,0,0,0,0|1,0,1]=4 485 B9R1.69 CC1=CC(O)=C(C)C=C1 21763 [2,0,0,0,0,0|1,0,1]=4 486 B9R1.69 CC1=CC(O)=C(Cl)C=C1 3668 [2,0,0,0,0,0|1,0,1]=4 487 B9R1.69 CC1=CC(O)=C(F)C=C1 1498 [2,0,0,0,0,0|1,0,1]=4 488 B9R1.69 CC1=CC(O)=C(N)C=C1 11254 [2,0,0,0,0,0|1,0,1]=4 489 B9R1.69 CC1=CC=C(O)C(C)=N1 22495 [2,0,0,0,0,0|1,0,1]=4 490 B9R1.69 NC1=C(O)C=C(Br)C=C1 10469 [2,0,0,0,0,0|2,0,0]=4 491 B9R1.69 NC1=C(O)C=C(Cl)C=C1 1478 [2,0,0,0,0,0|2,0,0]=4 492 B9R1.69 NC1=C(O)C=C(F)C=C1 2828 [2,0,0,0,0,0|2,0,0]=4 493 B9R1.69 NC1=C(O)C=C(O)C=C1 27733 [2,0,0,0,0,0|1,0,1]=4 494 B9R1.69 NC1=C(O)C=CC(Br)=C1 4511 [2,0,0,0,0,0|2,0,0]=4 495 B9R1.69 NC1=C(O)C=CC(F)=C1 2825 [2,0,0,0,0,0|2,0,0]=4 496 B9R1.69 NC1=CC(Br)=C(O)C=C1 31097 [2,0,0,0,0,0|2,0,0]=4 497 B9R1.69 NC1=CC(Cl)=C(O)C=C1 18907 [2,0,0,0,0,0|2,0,0]=4 498 B9R1.69 NC1=CC(F)=C(O)C=C1 2831 [2,0,0,0,0,0|2,0,0]=4 499 B9R1.69 NC1=CC(O)=C(Cl)C=C1 21902 [2,0,0,0,0,0|2,0,0]=4 500 B9R1.69 OC1=C(Br)C=C(Cl)C=C1 3594 [2,0,0,0,0,0|2,0,0]=4 501 B9R1.69 OC1=C(Br)C=C(F)C=C1 1485 [2,0,0,0,0,0|2,0,0]=4 502 B9R1.69 OC1=C(Br)C=C(I)C=C1 27942 [2,0,0,0,0,0|2,0,0]=4 503 B9R1.69 OC1=C(Br)C=CC(Br)=C1 14527 [2,0,0,0,0,0|2,0,0]=4 504 B9R1.69 OC1=C(Br)C=CC(Cl)=C1 10956 [2,0,0,0,0,0|2,0,0]=4 505 B9R1.69 OC1=C(Br)C=CC(F)=C1 1964 [2,0,0,0,0,0|2,0,0]=4 506 B9R1.69 OC1=C(Cl)C=C(Br)C=C1 3596 [2,0,0,0,0,0|2,0,0]=4 507 B9R1.69 OC1=C(Cl)C=C(F)C=C1 2372 [2,0,0,0,0,0|2,0,0]=4 508 B9R1.69 OC1=C(Cl)C=CC(Br)=C1 1476 [2,0,0,0,0,0|2,0,0]=4 509 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 24852 [2,0,0,0,0,0|2,0,0]=4 510 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 3697 [2,0,0,0,0,0|2,0,0]=4 511 B9R1.69 OC1=C(Cl)C=CC(F)=C1 2146 [2,0,0,0,0,0|2,0,0]=4 512 B9R1.69 OC1=C(Cl)C=CC(I)=C1 3651 [2,0,0,0,0,0|2,0,0]=4 513 B9R1.69 OC1=C(F)C=C(Br)C=C1 1488 [2,0,0,0,0,0|2,0,0]=4 514 B9R1.69 OC1=C(F)C=C(Cl)C=C1 2861 [2,0,0,0,0,0|2,0,0]=4 515 B9R1.69 OC1=C(F)C=C(F)C=C1 2874 [2,0,0,0,0,0|2,0,0]=4 516 B9R1.69 OC1=C(F)C=C(I)C=C1 26350 [2,0,0,0,0,0|2,0,0]=4 517 B9R1.69 OC1=C(F)C=CC(Br)=C1 1490 [2,0,0,0,0,0|2,0,0]=4 518 B9R1.69 OC1=C(F)C=CC(Cl)=C1 1492 [2,0,0,0,0,0|2,0,0]=4 519 B9R1.69 OC1=C(F)C=CC(F)=C1 3464 [2,0,0,0,0,0|2,0,0]=4 520 B9R1.69 OC1=C(F)C=CC(I)=C1 18134 [2,0,0,0,0,0|2,0,0]=4 521 B9R1.69 OC1=C(I)C=C(Br)C=C1 28356 [2,0,0,0,0,0|2,0,0]=4 522 B9R1.69 OC1=C(I)C=C(Cl)C=C1 28364 [2,0,0,0,0,0|2,0,0]=4 523 B9R1.69 OC1=C(I)C=C(F)C=C1 28090 [2,0,0,0,0,0|2,0,0]=4 524 B9R1.69 OC1=C(I)C=CC(Br)=C1 31124 [2,0,0,0,0,0|2,0,0]=4 525 B9R1.69 OC1=C(I)C=CC(Cl)=C1 9582 [2,0,0,0,0,0|2,0,0]=4 526 B9R1.69 OC1=C(I)C=CC(F)=C1 28089 [2,0,0,0,0,0|2,0,0]=4 527 B9R1.69 OC1=C(I)C=CC(I)=C1 28127 [2,0,0,0,0,0|2,0,0]=4 528 B9R1.69 OC1=CC(Br)=CN=C1O 5415 [2,0,0,0,0,0|2,0,0]=4 529 B9R1.69 OC1=CC(Cl)=CN=C1O 5416 [2,0,0,0,0,0|2,0,0]=4 530 B9R1.69 OC1=CC(F)=C(O)C=C1 16452 [2,0,0,0,0,0|1,0,1]=4 531 B9R1.69 OC1=CC(O)=C(Br)C=C1 27082 [2,0,0,0,0,0|1,0,1]=4 532 B9R1.69 OC1=CC(O)=C(Cl)C=C1 44767 [2,0,0,0,0,0|1,0,1]=4 533 B9R1.69 OC1=CC(O)=C(F)C=C1 22656 [2,0,0,0,0,0|1,0,1]=4 534 B9R1.69 OC1=CC=C(Cl)C=C1Cl 22008 [2,0,0,0,0,0|2,0,0]=4 535 B9R1.69 OC1=CC=C(Cl)C=C1O 2215 [2,0,0,0,0,0|1,0,0]=3 536 B9R1.69 OC1=CC=C(F)C=C1O 4143 [2,0,0,0,0,0|1,0,0]=3 537 B9R1.1 C=CC1=CC=C(Cl)C=C1 12659 [2,0,0,0,0,0|2,0,0]=4 538 B9R1.1 C=CC1=CC=C(N)C=C1 12625 [2,0,0,0,0,0|2,0,0]=4 539 B9R1.1 CC1=CC=C(C=O)C=C1 15497 [2,0,0,0,0,0|1,0,0]=3 540 B9R1.1 CC1=CN=C(C=O)C=C1 17169 [2,0,0,0,0,0|2,0,0]=4 541 B9R1.1 CC1=NC=C(C=O)C=C1 19463 [2,0,0,0,0,0|2,0,0]=4 542 B9R1.1 CCC1=CC=C(O)C=C1 3874 [2,0,0,0,0,0|1,0,1]=4 543 B9R1.1 COC1=CC=C(O)C=C1 14584 [2,0,0,0,0,0|2,0,0]=4 544 B9R1.1 COC1=CC=C(O)C=C1 2276 [2,0,0,0,0,0|2,0,0]=4 545 B9R1.1 CSC1=CC=C(O)C=C1 15277 [2,0,0,0,0,0|2,0,0]=4 546 B9R1.1 NC1=CC=C(C=O)C=C1 7795 [2,0,0,0,0,0|1,0,0]=3 547 B9R1.1 NCC1=CC=C(O)C=C1 26036 [2,0,0,0,0,0|1,0,1]=4 548 B9R1.1 O=CC1=CC=C(Br)C=C1 8053 [2,0,0,0,0,0|1,0,0]=3 549 B9R1.1 O=CC1=CC=C(Cl)C=C1 8078 [2,0,0,0,0,0|1,0,0]=3 550 B9R1.1 O=CC1=CC=C(Cl)N=C1 23354 [2,0,0,0,0,0|2,0,0]=4 551 B9R1.1 O=CC1=CC=C(F)C=C1 3478 [2,0,0,0,0,0|1,0,0]=3 552 B9R1.1 O=CC1=CC=C(I)C=C1 5349 [2,0,0,0,0,0|1,0,0]=3 553 B9R1.1 O=CC1=CC=C(O)C=C1 10188 [2,0,0,0,0,0|0,0,0]=2 554 B9R1.1 O=CC1=CN=C(Br)C=C1 1181 [2,0,0,0,0,0|2,0,0]=4 555 B9R1.1 O=CC1=CN=C(Cl)C=C1 9221 [2,0,0,0,0,0|2,0,0]=4 556 B9R1.1 O=CC1=CN=C(F)C=C1 5150 [2,0,0,0,0,0|2,0,0]=4 557 B9R1.1 O=CC1=CN=C(O)C=C1 17127 [2,0,0,0,0,0|1,0,0]=3 558 B9R1.1 O=CC1=NC=C(Br)C=C1 5059 [2,0,0,0,0,0|2,0,0]=4 559 B9R1.1 O=CC1=NC=C(Cl)C=C1 17153 [2,0,0,0,0,0|2,0,0]=4 560 B9R1.1 O=CC1=NC=C(F)C=C1 5149 [2,0,0,0,0,0|2,0,0]=4 561 B9R1.1 O=CC1=NC=C(O)C=C1 33708 [2,0,0,0,0,0|1,0,0]=3 562 B9R1.1 OCC1=CC=C(O)C=C1 29320 [2,0,0,0,0,0|0,0,2]=4 563 B11R1.8 COC1=C(C)C(C)=CC(C)=C1 2688 [1,1,0,0,0,0|1,0,1]=4 564 B11R1.8 COC1=C(F)C(F)=CC(Br)=C1 14832 [1,1,0,0,0,0|2,0,0]=4 565 B11R1.8 COC1=C(N)C(C)=CC(Br)=C1 19713 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.37 C#CC1=C(OC)C=C(O)C=C1 45209 [1,1,0,0,0,0|1,0,1]=4 567 B11R1.37 COC1=C(C#N)C=CC(Br)=C1 12802 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.37 COC1=C(C#N)C=CC(C)=C1 28757 [1,1,0,0,0,0|1,0,1]=4 569 B11R1.37 COC1=C(C#N)C=CC(F)=C1 4786 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.37 COC1=C(C#N)C=CC(O)=C1 27703 [1,1,0,0,0,0|1,0,1]=4 571 B11R1.37 COC1=C(C=O)C=CC(Br)=C1 30906 [1,1,0,0,0,0|1,0,1]=4 572 B11R1.37 COC1=C(C=O)C=CC(C)=C1 18122 [1,1,0,0,0,0|0,0,2]=4 573 B11R1.37 COC1=C(C=O)C=CC(Cl)=C1 28397 [1,1,0,0,0,0|1,0,1]=4 574 B11R1.37 COC1=C(C=O)C=CC(F)=C1 2635 [1,1,0,0,0,0|1,0,1]=4 575 B11R1.37 COC1=C(C=O)C=CC(O)=C1 8130 [1,1,0,0,0,0|0,0,2]=4 576 B11R1.37 COC1=C(CBr)C=CC(Br)=C1 31309 [1,1,0,0,0,0|2,0,0]=4 577 B11R1.37 COC1=C(CBr)C=CC(F)=C1 31307 [1,1,0,0,0,0|2,0,0]=4 578 B11R1.37 COC1=C(CN)C=CC(F)=C1 31244 [1,1,0,0,0,0|2,0,0]=4 579 B11R1.37 COC1=C(CO)C=CC(F)=C1 31306 [1,1,0,0,0,0|1,0,0]=3 580 B11R1.37 COC1=C(NN)C=CC(Cl)=C1 34865 [1,1,0,0,0,0|2,0,0]=4 581 B11R1.37 COC1=C(OC)C=C(Br)C=C1 3037 [1,1,0,0,0,0|1,0,0]=3 582 B11R1.37 COC1=C(OC)C=C(C)C=C1 23595 [1,1,0,0,0,0|0,0,1]=3 583 B11R1.37 COC1=C(OC)C=C(Cl)C=C1 25469 [1,1,0,0,0,0|1,0,0]=3 584 B11R1.37 COC1=C(OC)C=C(I)C=C1 3052 [1,1,0,0,0,0|1,0,0]=3 585 B11R1.37 COC1=C(OC)C=C(N)C=C1 22907 [1,1,0,0,0,0|1,0,0]=3 586 B11R1.37 COC1=C(OC)C=C(O)C=C1 4113 [1,1,0,0,0,0|0,0,1]=3 587 B11R1.37 COC1=C(OC)C=C(S)C=C1 6823 [1,1,0,0,0,0|0,1,0]=3 588 B11R1.37 COC1=CC(Cl)=CN=C1OC 26919 [1,1,0,0,0,0|2,0,0]=4 589 B11R1.37 COC1=CC=C(F)C=C1OC 3048 [1,1,0,0,0,0|1,0,0]=3 590 B11R1.72 COC1=C(Br)C=CC(F)=C1F 34206 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.72 COC1=C(Cl)C(C)=CC=C1F 8449 [1,1,0,0,0,0|1,0,1]=4 592 B11R1.72 COC1=C(Cl)C(F)=CC=C1F 8440 [1,1,0,0,0,0|2,0,0]=4 593 B11R1.72 COC1=C(F)C(C)=CC=C1Cl 8450 [1,1,0,0,0,0|1,0,1]=4 594 B11R1.72 COC1=C(F)C(C)=CC=C1F 7145 [1,1,0,0,0,0|1,0,1]=4 595 B11R1.72 COC1=C(F)C(Cl)=CC=C1F 8441 [1,1,0,0,0,0|2,0,0]=4 596 B11R1.72 COC1=C(F)C(F)=CC=C1F 1965 [1,1,0,0,0,0|2,0,0]=4 597 B11R1.72 COC1=C(F)C(F)=CC=C1N 28341 [1,1,0,0,0,0|2,0,0]=4 598 B11R1.72 COC1=C(O)C(F)=CC=C1Br 33736 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 3913 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 16936 [1,1,0,0,0,0|1,0,1]=4 601 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 3353 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 3356 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.167 CC(=O)C1=C(O)C=CC(N)=C1 17597 [1,1,0,0,0,0|2,0,0]=4 604 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 3377 [1,1,0,0,0,0|1,0,1]=4 605 B11R1.167 CC(C)C1=C(O)C=CC(Br)=C1 34492 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.167 CC(C)C1=C(O)C=CC(Cl)=C1 27613 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 1919 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.182 CCOC1=C(Cl)C=CC(F)=C1 3157 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.182 CCOC1=C(F)C=CC(Cl)=C1 3166 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.277 COC1=C(Br)C=C(F)C(F)=C1 5223 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.277 COC1=C(Cl)C=C(F)C(Br)=C1 4557 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.277 COC1=C(F)C=C(Br)C(F)=C1 2653 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.277 COC1=C(O)C=C(Br)C(Cl)=C1 34577 [1,1,0,0,0,0|1,0,0]=3 614 B11R1.277 COC1=C(O)C=C(F)C(Br)=C1 28355 [1,1,0,0,0,0|1,0,0]=3 615 B11R1.277 COC1=CC(Br)=C(Cl)C=C1N 16224 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.277 COC1=CC(C)=C(N)C=C1C 31055 [1,1,0,0,0,0|1,0,1]=4 617 B11R1.277 COC1=CC(N)=C(Br)C=C1C 31046 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.277 COC1=CC(N)=C(Cl)C=C1Cl 4393 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.277 COC1=CC(N)=C(F)C=C1F 10078 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.9 CC1=CC(C#N)=CC(C=O)=C1 17465 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.9 COC1=CC(Br)=CC(OC)=C1 25408 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.9 COC1=CC(C#N)=CC(Br)=C1 4720 [1,1,0,0,0,0|1,0,1]=4 623 B11R1.9 COC1=CC(C#N)=CC(Cl)=C1 30802 [1,1,0,0,0,0|1,0,1]=4 624 B11R1.9 COC1=CC(C#N)=CC(F)=C1 4785 [1,1,0,0,0,0|1,0,1]=4 625 B11R1.9 COC1=CC(C)=CC(C#N)=C1 25377 [1,1,0,0,0,0|1,0,1]=4 626 B11R1.9 COC1=CC(C)=CC(C=O)=C1 28420 [1,1,0,0,0,0|0,0,0]=2 627 B11R1.9 COC1=CC(C)=CC(OC)=C1 17775 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.9 COC1=CC(C=O)=CC(Br)=C1 30933 [1,1,0,0,0,0|0,0,0]=2 629 B11R1.9 COC1=CC(C=O)=CC(Cl)=C1 30902 [1,1,0,0,0,0|0,0,0]=2 630 B11R1.9 COC1=CC(C=O)=CC(F)=C1 25242 [1,1,0,0,0,0|0,0,0]=2 631 B11R1.9 COC1=CC(CBr)=CC(F)=C1 31283 [1,1,0,0,0,0|1,0,1]=4 632 B11R1.9 COC1=CC(Cl)=CC(OC)=C1 3042 [1,1,0,0,0,0|2,0,0]=4 633 B11R1.9 COC1=CC(F)=CC(OC)=C1 3049 [1,1,0,0,0,0|2,0,0]=4 634 B11R1.9 COC1=CC(I)=CC(OC)=C1 4400 [1,1,0,0,0,0|2,0,0]=4 635 B11R1.9 COC1=CC(N)=CC(OC)=C1 4423 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.9 COC1=CC(O)=CC(OC)=C1 16421 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.9 N#CC1=CC(Br)=CC(C=O)=C1 30983 [1,1,0,0,0,0|2,0,0]=4 638 B11R1.9 N#CC1=CC(Cl)=CC(C=O)=C1 30904 [1,1,0,0,0,0|2,0,0]=4 639 B11R1.9 N#CC1=CC(F)=CC(C=O)=C1 4774 [1,1,0,0,0,0|2,0,0]=4 640 B11R1.9 O=CC1=CC(O)=CC(C=O)=C1 44717 [1,1,0,0,0,0|2,0,0]=4 641 B11R1.9 O=Cc1cc(Br)cc(C=O)c1 30936 [1,1,0,0,0,0|2,0,0]=4 642 B11R1.189 CCOC1=CC=CC(C=O)=C1 13132 [1,1,0,0,0,0|0,0,0]=2 643 B11R1.189 CCOC1=CC=CC(NN)=C1 16014 [1,1,0,0,0,0|2,0,0]=4 644 B11R1.189 CNCC1=CC(OC)=CC=C1 31256 [1,1,0,0,0,0|1,0,1]=4 645 B11R1.189 COC1=CC=CC(CC#N)=C1 18497 [1,1,0,0,0,0|1,0,1]=4 646 B11R1.189 COC1=CC=CC(CCN)=C1 12794 [1,1,0,0,0,0|1,0,1]=4 647 B11R1.189 CSC1=CC=CC(N=C=O)=C1 14329 [1,1,0,0,0,0|0,1,1]=4 648 B11R1.266 C=CC1=CC=CC(C(=O)O)=C1 36178 [1,1,0,0,0,0|1,0,1]=4 649 B11R1.266 CC(=O)C1=CC(C=O)=CC=C1 31237 [1,1,0,0,0,0|1,0,0]=3 650 B11R1.266 CC(=O)C1=CC(CCl)=CC=C1 23456 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.266 CC(=O)C1=CC=CC(C#N)=C1 12649 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.266 CC(C)C1=CC=CC(C=O)=C1 19606 [1,1,0,0,0,0|1,0,0]=3 653 B11R1.266 CCC1=CC=CC(C(C)=O)=C1 3092 [1,1,0,0,0,0|1,0,0]=3 654 B11R1.266 CN(C)C1=CC=CC(C=O)=C1 15110 [1,1,0,0,0,0|1,0,0]=3 655 B11R1.266 COC1=CC(C(=O)O)=CN=C1 27158 [1,1,0,0,0,0|1,0,0]=3 656 B11R1.266 COC1=CC(C(=O)O)=NC=C1 16686 [1,1,0,0,0,0|1,0,0]=3 657 B11R1.266 COC1=CC(C(=O)O)=NC=N1 27976 [1,1,0,0,0,0|2,0,0]=4 658 B11R1.266 COC1=CC(C(C)=O)=NC=C1 33636 [1,1,0,0,0,0|1,0,0]=3 659 B11R1.266 COC1=CC(C(N)=O)=NC=C1 9294 [1,1,0,0,0,0|1,0,0]=3 660 B11R1.266 COC1=CC=CC(B(O)O)=C1 1866 [1,1,0,0,0,0|1,0,1]=4 661 B11R1.266 COC1=CC=CC(C(=O)Cl)=C1 35489 [1,1,0,0,0,0|0,0,0]=2 662 B11R1.266 COC1=CC=CC(C(=O)O)=C1 9012 [1,1,0,0,0,0|0,0,0]=2 663 B11R1.266 COC1=CC=CC(C(=O)O)=N1 15165 [1,1,0,0,0,0|1,0,0]=3 664 B11R1.266 COC1=CC=CC(C(=O)O)=N1 17144 [1,1,0,0,0,0|1,0,0]=3 665 B11R1.266 COC1=CC=CC(C(C)=O)=C1 9201 [1,1,0,0,0,0|0,0,0]=2 666 B11R1.266 COC1=CC=CC(C(N)=O)=N1 16543 [1,1,0,0,0,0|1,0,0]=3 667 B11R1.266 COC1=CC=CC([C@@H](C)O)=C1 15587 [1,1,0,0,0,0|0,0,2]=4 668 B11R1.266 COC1=CC=CC([C@H](C)N)=C1 24749 [1,1,0,0,0,0|1,0,1]=4 669 B11R1.266 COC1=CN=CC(C(=O)O)=N1 27952 [1,1,0,0,0,0|2,0,0]=4 670 B11R1.266 COC1=NC=CC(C(=O)O)=C1 9293 [1,1,0,0,0,0|1,0,0]=3 671 B11R1.266 COC1=NC=CC(C(=O)O)=N1 32428 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.266 CSC1=CC([N+](=O)[O-])=CC=C1 8316 [1,1,0,0,0,0|1,1,0]=4 673 B11R1.266 CSC1=CC=CC(C(=O)O)=C1 10679 [1,1,0,0,0,0|0,1,0]=3 674 B11R1.266 CSC1=CC=CC(C(=O)O)=C1 20970 [1,1,0,0,0,0|0,1,0]=3 675 B11R1.266 N#CC1=CC=CC(C(=O)Cl)=C1 10466 [1,1,0,0,0,0|2,0,0]=4 676 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 25947 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 14415 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.266 O=C(Cl)C1=CC(CCl)=CC=C1 16448 [1,1,0,0,0,0|2,0,0]=4 679 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 9744 [1,1,0,0,0,0|2,0,0]=4 680 B11R1.266 O=C(O)C1=CC(CCl)=CC=C1 7446 [1,1,0,0,0,0|2,0,0]=4 681 B11R1.266 O=CC1=CC([N+](=O)[O-])=CC=C1 7772 [1,1,0,0,0,0|2,0,0]=4 682 B11R1.266 O=CC1=CC=CC(B(O)O)=C1 1719 [1,1,0,0,0,0|2,0,0]=4 683 B11R1.266 O=CC1=CC=CC(C(=O)O)=C1 30672 [1,1,0,0,0,0|2,0,0]=4 684 B11R1.267 CC1=C(C=O)C=CC=C1C#N 30984 [1,1,0,0,0,0|2,0,0]=4 685 B11R1.267 COC1=CC=CC(C#N)=C1F 4782 [1,1,0,0,0,0|1,0,1]=4 686 B11R1.267 COC1=CC=CC(C#N)=C1I 33270 [1,1,0,0,0,0|1,0,1]=4 687 B11R1.267 COC1=CC=CC(C#N)=C1N 19797 [1,1,0,0,0,0|1,0,1]=4 688 B11R1.267 COC1=CC=CC(C#N)=C1O 19922 [1,1,0,0,0,0|1,0,1]=4 689 B11R1.267 COC1=CC=CC(C=O)=C1F 4224 [1,1,0,0,0,0|0,0,0]=2 690 B11R1.267 COC1=CC=CC(CO)=C1F 16855 [1,1,0,0,0,0|0,0,2]=4 691 B11R1.267 COC1=CC=CC(CO)=C1O 10255 [1,1,0,0,0,0|0,0,2]=4 692 B11R1.267 COC1=CC=CC(OC)=C1Br 25397 [1,1,0,0,0,0|2,0,0]=4 693 B11R1.267 COC1=CC=CC(OC)=C1C 4545 [1,1,0,0,0,0|2,0,0]=4 694 B11R1.267 COC1=CC=CC(OC)=C1Cl 4405 [1,1,0,0,0,0|2,0,0]=4 695 B11R1.267 COC1=CC=CC(OC)=C1N 4419 [1,1,0,0,0,0|2,0,0]=4 696 B11R1.267 COC1=CC=CC(OC)=C1O 10985 [1,1,0,0,0,0|2,0,0]=4 697 B11R1.267 COC1=NC=CC(C=O)=C1Cl 17167 [1,1,0,0,0,0|1,0,0]=3 698 B11R1.267 COc1cccc(C=O)c1C 30950 [1,1,0,0,0,0|0,0,0]=2 699 B11R1.267 N#CC1=C(F)C(C=O)=CC=C1 34806 [1,1,0,0,0,0|2,0,0]=4 700 B11R1.267 N#CC1=CC=CC(C=O)=C1Cl 4181 [1,1,0,0,0,0|2,0,0]=4 701 B11R1.267 O=CC1=CC=CC(C=O)=C1Br 30885 [1,1,0,0,0,0|2,0,0]=4 702 B11R1.267 O=CC1=CC=CC(C=O)=C1O 25897 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.14 CC1=C(Br)C=C(C=O)C=C1F 30898 [1,1,0,0,0,0|2,0,0]=4 704 B11R1.14 CC1=CC(C#N)=CC(C)=C1O 11065 [1,1,0,0,0,0|1,0,1]=4 705 B11R1.14 CC1=CC(C=O)=CC(C)=C1Br 4166 [1,1,0,0,0,0|1,0,0]=3 706 B11R1.14 CC1=CC(C=O)=CC(C)=C1N 15498 [1,1,0,0,0,0|1,0,0]=3 707 B11R1.14 CC1=CC(C=O)=CC(C)=C1O 8252 [1,1,0,0,0,0|0,0,0]=2 708 B11R1.14 O=CC1=CC(Br)=C(F)C(F)=C1 27278 [1,1,0,0,0,0|2,0,0]=4 709 B11R1.14 O=CC1=CC(Br)=C(O)C(F)=C1 30897 [1,1,0,0,0,0|1,0,0]=3 710 B11R1.14 O=CC1=CC(Br)=C(O)C(O)=C1 27759 [1,1,0,0,0,0|0,0,0]=2 711 B11R1.14 O=CC1=CC(Cl)=C(Cl)C(F)=C1 28406 [1,1,0,0,0,0|2,0,0]=4 712 B11R1.14 O=CC1=CC(Cl)=C(F)C(Cl)=C1 28407 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.14 O=CC1=CC(Cl)=C(F)C(F)=C1 30991 [1,1,0,0,0,0|2,0,0]=4 714 B11R1.14 O=CC1=CC(F)=C(Br)C(F)=C1 30955 [1,1,0,0,0,0|2,0,0]=4 715 B11R1.14 O=CC1=CC(F)=C(Cl)C(F)=C1 30986 [1,1,0,0,0,0|2,0,0]=4 716 B11R1.14 O=CC1=CC(F)=C(F)C(F)=C1 1415 [1,1,0,0,0,0|2,0,0]=4 717 B11R1.14 O=CC1=CC(F)=C(F)C(O)=C1 30927 [1,1,0,0,0,0|1,0,0]=3 718 B11R1.14 O=CC1=CC(F)=C(O)C(F)=C1 17015 [1,1,0,0,0,0|1,0,0]=3 719 B11R1.14 O=CC1=CC(I)=C(O)C(I)=C1 28413 [1,1,0,0,0,0|1,0,0]=3 720 B11R1.14 O=CC1=CC(O)=C(O)C(O)=C1 21300 [1,1,0,0,0,0|0,0,0]=2 721 B11R1.14 O=CC1=CC(O)=C(O)C(O)=C1 8268 [1,1,0,0,0,0|0,0,0]=2 722 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 29264 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.21 CC(=O)C1=CC(Br)=C(Cl)C=C1 29259 [1,1,0,0,0,0|2,0,0]=4 724 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 4100 [1,1,0,0,0,0|2,0,0]=4 725 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 29246 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=C1 29265 [1,1,0,0,0,0|1,0,0]=3 727 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 24740 [1,1,0,0,0,0|1,0,0]=3 728 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 19762 [1,1,0,0,0,0|1,0,0]=3 729 B11R1.21 CC(=O)C1=CC(C)=C(O)C=C1 15346 [1,1,0,0,0,0|0,0,0]=2 730 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 31191 [1,1,0,0,0,0|2,0,0]=4 731 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 3383 [1,1,0,0,0,0|2,0,0]=4 732 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 4202 [1,1,0,0,0,0|2,0,0]=4 733 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 19715 [1,1,0,0,0,0|2,0,0]=4 734 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 29271 [1,1,0,0,0,0|1,0,0]=3 735 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 25810 [1,1,0,0,0,0|2,0,0]=4 736 B11R1.21 CC(=O)C1=CC(F)=C(C)C=C1 29155 [1,1,0,0,0,0|2,0,0]=4 737 B11R1.21 CC(=O)C1=CC(F)=C(Cl)C=C1 28237 [1,1,0,0,0,0|2,0,0]=4 738 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 3089 [1,1,0,0,0,0|2,0,0]=4 739 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 24416 [1,1,0,0,0,0|2,0,0]=4 740 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 3492 [1,1,0,0,0,0|1,0,0]=3 741 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 7322 [1,1,0,0,0,0|2,0,0]=4 742 B11R1.21 CC(=O)C1=CC(O)=C(C)C=C1 31188 [1,1,0,0,0,0|1,0,0]=3 743 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 3384 [1,1,0,0,0,0|0,0,0]=2 744 B11R1.21 CC(=O)c1ccc(Br)c(Br)c1 28245 [1,1,0,0,0,0|2,0,0]=4 745 B11R1.21 CC(=O)c1ccc(C)c(O)c1 24105 [1,1,0,0,0,0|1,0,0]=3 746 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 27504 [1,1,0,0,0,0|2,0,0]=4 747 B11R1.21 CC(C)C1=CC=C(O)C(O)=C1 26367 [1,1,0,0,0,0|1,0,1]=4 748 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 3806 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 3807 [1,1,0,0,0,0|1,0,0]=3 750 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 3804 [1,1,0,0,0,0|1,0,0]=3 751 B11R1.21 CC1=C(Br)C=CC([N+](=O)[O-])=C1 12553 [1,1,0,0,0,0|2,0,0]=4 752 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 14893 [1,1,0,0,0,0|1,0,0]=3 753 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 4569 [1,1,0,0,0,0|2,0,0]=4 754 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 28594 [1,1,0,0,0,0|1,0,0]=3 755 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 30641 [1,1,0,0,0,0|1,0,0]=3 756 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 3666 [1,1,0,0,0,0|1,0,0]=3 757 B11R1.21 CC1=C(Cl)C=CC([N+](=O)[O-])=C1 2137 [1,1,0,0,0,0|2,0,0]=4 758 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 1330 [1,1,0,0,0,0|2,0,0]=4 759 B11R1.21 CC1=C(F)C=CC(C(=O)Cl)=C1 25412 [1,1,0,0,0,0|1,0,0]=3 760 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 1397 [1,1,0,0,0,0|1,0,0]=3 761 B11R1.21 CC1=C(F)C=CC([N+](=O)[O-])=C1 1593 [1,1,0,0,0,0|2,0,0]=4 762 B11R1.21 CC1=C(I)C=C(C(=O)Cl)C=C1 28676 [1,1,0,0,0,0|2,0,0]=4 763 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 3947 [1,1,0,0,0,0|2,0,0]=4 764 B11R1.21 CC1=C(I)C=CC(C(=O)O)=C1 3948 [1,1,0,0,0,0|1,0,0]=3 765 B11R1.21 CC1=C(I)C=CC([N+](=O)[O-])=C1 27627 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 8194 [1,1,0,0,0,0|2,0,0]=4 767 B11R1.21 CC1=C(N)C=C(C(N)=O)C=C1 35463 [1,1,0,0,0,0|2,0,0]=4 768 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 2067 [1,1,0,0,0,0|1,0,0]=3 769 B11R1.21 CC1=C(N)C=CC([N+](=O)[O-])=C1 4512 [1,1,0,0,0,0|2,0,0]=4 770 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 3890 [1,1,0,0,0,0|1,0,0]=3 771 B11R1.21 CC1=C(O)C=C([N+](=O)[O-])C=C1 1484 [1,1,0,0,0,0|2,0,0]=4 772 B11R1.21 CC1=C(O)C=CC(B(O)O)=C1 32616 [1,1,0,0,0,0|1,0,1]=4 773 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 20044 [1,1,0,0,0,0|0,0,0]=2 774 B11R1.21 CC1=C(O)C=CC([N+](=O)[O-])=C1 17549 [1,1,0,0,0,0|1,0,0]=3 775 B11R1.21 CC1=CC(C(=O)O)=CN=C1F 5143 [1,1,0,0,0,0|2,0,0]=4 776 B11R1.21 CC1=CC([N+](=O)[O-])=CN=C1O 1113 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.21 NC(=O)C1=CC(Br)=C(F)C=C1 25391 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.21 NC(=O)C1=CC(Cl)=C(Cl)C=C1 3462 [1,1,0,0,0,0|2,0,0]=4 779 B11R1.21 NC(=O)C1=CC(F)=C(F)C=C1 3459 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.21 NC(=O)C1=CC(N)=C(Cl)C=C1 35464 [1,1,0,0,0,0|2,0,0]=4 781 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 3130 [1,1,0,0,0,0|2,0,0]=4 782 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 8988 [1,1,0,0,0,0|2,0,0]=4 783 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 3524 [1,1,0,0,0,0|2,0,0]=4 784 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 4690 [1,1,0,0,0,0|2,0,0]=4 785 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 14046 [1,1,0,0,0,0|2,0,0]=4 786 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 29055 [1,1,0,0,0,0|2,0,0]=4 787 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 14418 [1,1,0,0,0,0|1,0,0]=3 788 B11R1.21 NC1=C(O)C=C([N+](=O)[O-])C=C1 8201 [1,1,0,0,0,0|2,0,0]=4 789 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 20504 [1,1,0,0,0,0|1,0,0]=3 790 B11R1.21 NC1=C(O)C=CC([N+](=O)[O-])=C1 14489 [1,1,0,0,0,0|2,0,0]=4 791 B11R1.21 Nc1ccc(C(=O)O)cc1Cl 4652 [1,1,0,0,0,0|2,0,0]=4 792 B11R1.21 O=C(Cl)C1=CC(Br)=C(F)C=C1 25457 [1,1,0,0,0,0|2,0,0]=4 793 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Cl)C=C1 26090 [1,1,0,0,0,0|2,0,0]=4 794 B11R1.21 O=C(Cl)C1=CC(F)=C(Cl)C=C1 28589 [1,1,0,0,0,0|2,0,0]=4 795 B11R1.21 O=C(Cl)C1=CC(F)=C(F)C=C1 14796 [1,1,0,0,0,0|2,0,0]=4 796 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 28612 [1,1,0,0,0,0|2,0,0]=4 797 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 3585 [1,1,0,0,0,0|2,0,0]=4 798 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 1320 [1,1,0,0,0,0|2,0,0]=4 799 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 25903 [1,1,0,0,0,0|2,0,0]=4 800 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 9825 [1,1,0,0,0,0|2,0,0]=4 801 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 24806 [1,1,0,0,0,0|2,0,0]=4 802 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 3686 [1,1,0,0,0,0|2,0,0]=4 803 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 1334 [1,1,0,0,0,0|2,0,0]=4 804 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 13038 [1,1,0,0,0,0|1,0,0]=3 805 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 1316 [1,1,0,0,0,0|2,0,0]=4 806 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 1333 [1,1,0,0,0,0|2,0,0]=4 807 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 1337 [1,1,0,0,0,0|2,0,0]=4 808 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 29708 [1,1,0,0,0,0|2,0,0]=4 809 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 1388 [1,1,0,0,0,0|2,0,0]=4 810 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 2271 [1,1,0,0,0,0|1,0,0]=3 811 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 28092 [1,1,0,0,0,0|2,0,0]=4 812 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 12500 [1,1,0,0,0,0|2,0,0]=4 813 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 1390 [1,1,0,0,0,0|2,0,0]=4 814 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 28093 [1,1,0,0,0,0|2,0,0]=4 815 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 32382 [1,1,0,0,0,0|1,0,0]=3 816 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 17671 [1,1,0,0,0,0|1,0,0]=3 817 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 14051 [1,1,0,0,0,0|1,0,0]=3 818 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 3494 [1,1,0,0,0,0|1,0,0]=3 819 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 28669 [1,1,0,0,0,0|1,0,0]=3 820 B11R1.21 O=C(O)C1=CC(O)=C(I)N=C1 18329 [1,1,0,0,0,0|2,0,0]=4 821 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 9738 [1,1,0,0,0,0|0,0,0]=2 822 B11R1.21 O=C(O)C1=CN=C(O)C(Cl)=C1 10618 [1,1,0,0,0,0|2,0,0]=4 823 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(O)C=C1 18622 [1,1,0,0,0,0|2,0,0]=4 824 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(O)C=C1 18908 [1,1,0,0,0,0|2,0,0]=4 825 B11R1.21 O=[N+]([O-])C1=CC(F)=C(O)C=C1 4122 [1,1,0,0,0,0|2,0,0]=4 826 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Br)C=C1 31132 [1,1,0,0,0,0|2,0,0]=4 827 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Cl)C=C1 1475 [1,1,0,0,0,0|2,0,0]=4 828 B11R1.21 O=[N+]([O-])C1=CC(O)=C(F)C=C1 4123 [1,1,0,0,0,0|2,0,0]=4 829 B11R1.21 O=[N+]([O-])C1=CC(O)=C(O)C=C1 22910 [1,1,0,0,0,0|1,0,0]=3 830 B11R1.192 CC1=C(Cl)C=CC(N=C=O)=C1 28893 [1,1,0,0,0,0|1,0,1]=4 831 B11R1.192 NCCC1=CC(O)=C(O)C=C1 22727 [1,1,0,0,0,0|1,0,1]=4 832 B11R1.192 OCCC1=CC=C(O)C(O)=C1 14271 [1,1,0,0,0,0|0,0,2]=4 833 B11R1.278 CC1=C(Br)C(F)=C(C=O)C=C1 34379 [1,1,0,0,0,0|2,0,0]=4 834 B11R1.278 CC1=C(C=O)C=CC(F)=C1F 28156 [1,1,0,0,0,0|2,0,0]=4 835 B11R1.278 CC1=C(F)C(C)=C(C=O)C=C1 16353 [1,1,0,0,0,0|2,0,0]=4 836 B11R1.278 CC1=C(F)C(F)=C(C=O)C=C1 2901 [1,1,0,0,0,0|2,0,0]=4 837 B11R1.278 CC1=C(F)C=CC(C=O)=C1F 17004 [1,1,0,0,0,0|1,0,0]=3 838 B11R1.278 CC1=C(O)C=CC(C=O)=C1O 25581 [1,1,0,0,0,0|0,0,0]=2 839 B11R1.278 Cc1c(F)ccc(C=O)c1Cl 30887 [1,1,0,0,0,0|1,0,0]=3 840 B11R1.278 NC1=C(F)C(Cl)=C(C=O)C=C1 30985 [1,1,0,0,0,0|2,0,0]=4 841 B11R1.278 O=CC1=C(Br)C(F)=C(F)C=C1 30977 [1,1,0,0,0,0|2,0,0]=4 842 B11R1.278 O=CC1=C(Cl)C(F)=C(Cl)C=C1 30926 [1,1,0,0,0,0|2,0,0]=4 843 B11R1.278 O=CC1=C(Cl)C(F)=C(F)C=C1 30980 [1,1,0,0,0,0|2,0,0]=4 844 B11R1.278 O=CC1=C(Cl)C(O)=C(Cl)C=C1 24262 [1,1,0,0,0,0|1,0,0]=3 845 B11R1.278 O=CC1=C(F)C(Cl)=C(F)C=C1 2886 [1,1,0,0,0,0|2,0,0]=4 846 B11R1.278 O=CC1=C(F)C(F)=C(Br)C=C1 10068 [1,1,0,0,0,0|2,0,0]=4 847 B11R1.278 O=CC1=C(F)C(F)=C(Cl)C=C1 30943 [1,1,0,0,0,0|2,0,0]=4 848 B11R1.278 O=CC1=C(F)C(F)=C(F)C=C1 4255 [1,1,0,0,0,0|2,0,0]=4 849 B11R1.278 O=CC1=C(F)C(F)=C(I)C=C1 4197 [1,1,0,0,0,0|2,0,0]=4 850 B11R1.278 O=CC1=C(F)C(F)=C(O)C=C1 10121 [1,1,0,0,0,0|1,0,0]=3 851 B11R1.278 O=CC1=C(F)C(O)=C(F)C=C1 28411 [1,1,0,0,0,0|1,0,0]=3 852 B11R1.278 O=CC1=C(O)C(F)=C(F)C=C1 17441 [1,1,0,0,0,0|2,0,0]=4 853 B11R1.278 O=CC1=C(O)C(I)=C(O)C=C1 22928 [1,1,0,0,0,0|1,0,0]=3 854 B11R1.278 O=CC1=C(O)C(O)=C(O)C=C1 8260 [1,1,0,0,0,0|0,0,0]=2 855 B11R1.279 CC1=C(C#N)C=CC(C=O)=C1 30973 [1,1,0,0,0,0|1,0,0]=3 856 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 2643 [1,1,0,0,0,0|1,0,0]=3 857 B11R1.279 COC1=C(C)C=C(C=O)C=C1 14879 [1,1,0,0,0,0|0,0,0]=2 858 B11R1.279 COC1=C(C)C=C(CO)C=C1 24130 [1,1,0,0,0,0|0,0,2]=4 859 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 2638 [1,1,0,0,0,0|1,0,0]=3 860 B11R1.279 COC1=C(F)C=C(C=O)C=C1 1448 [1,1,0,0,0,0|1,0,0]=3 861 B11R1.279 COC1=C(N)C=C(C=O)C=C1 19765 [1,1,0,0,0,0|1,0,0]=3 862 B11R1.279 COC1=C(O)C=C(C#N)C=C1 4806 [1,1,0,0,0,0|1,0,1]=4 863 B11R1.279 COC1=C(O)C=C(C=O)C=C1 7770 [1,1,0,0,0,0|0,0,0]=2 864 B11R1.279 COC1=C(O)C=C(CO)C=C1 15050 [1,1,0,0,0,0|0,0,2]=4 865 B11R1.279 COC1=CC(C)=C(OC)C=C1 4543 [1,1,0,0,0,0|2,0,0]=4 866 B11R1.279 COC1=CC(O)=C(OC)C=C1 27372 [1,1,0,0,0,0|2,0,0]=4 867 B11R1.279 COC1=NC=C(C=O)C=C1Cl 17090 [1,1,0,0,0,0|2,0,0]=4 868 B11R1.279 N#CC1=C(F)C=C(C=O)C=C1 30922 [1,1,0,0,0,0|2,0,0]=4 869 B11R1.64 COC1=C(Cl)SC=C1C(=O)Cl 5473 [0,1,0,0,1,0|2,0,0]=4 870 B13R1.13 CC(=O)C1=C(F)C=CC(C(=O)O)=C1 30671 [0,2,0,0,0,0|2,0,0]=4 871 B13R1.13 CC(=O)C1=C(O)C=CC(C(=O)O)=C1 31768 [0,2,0,0,0,0|1,0,0]=3 872 B13R1.13 CC(=O)C1=C(O)C=CC([N+](=O)[O-])=C1 24089 [0,2,0,0,0,0|2,0,0]=4 873 B13R1.13 CC(=O)C1=CC([N+](=O)[O-])=C(O)C=C1 4261 [0,2,0,0,0,0|2,0,0]=4 874 B13R1.13 CC(=O)C1=CC=C(O)C(C(N)=O)=C1 30364 [0,2,0,0,0,0|2,0,0]=4 875 B13R1.13 O=C(O)C1=CC(C(=O)O)=C(O)C=C1 15046 [0,2,0,0,0,0|2,0,0]=4 876 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(O)C=C1 18981 [0,2,0,0,0,0|2,0,0]=4 877 B13R1.49 CCC(=O)c1ccc(O)c(OC)c1 28262 [0,2,0,0,0,0|0,0,0]=2 878 B13R1.49 COC(=O)C1=CC(C#N)=C(O)C=C1 16078 [0,2,0,0,0,0|2,0,0]=4 879 B13R1.49 COC(=O)C1=CC(C=O)=C(O)C=C1 30514 [0,2,0,0,0,0|2,0,0]=4 880 B13R1.49 COC(=O)C1=CC(OC)=C(Br)C=C1 16300 [0,2,0,0,0,0|1,0,0]=3 881 B13R1.49 COC(=O)C1=CC(OC)=C(C)C=C1 13650 [0,2,0,0,0,0|1,0,0]=3 882 B13R1.49 COC(=O)C1=CC(OC)=C(N)C=C1 30517 [0,2,0,0,0,0|1,0,0]=3 883 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 35231 [0,2,0,0,0,0|0,0,0]=2 884 B13R1.50 COC1=C(N)C=CC(S(C)(=O)=O)=C1 34843 [0,2,0,0,0,0|2,0,0]=4 885 B13R1.354 CCOC1=C(Br)C=CC([N+](=O)[O-])=C1 3240 [0,2,0,0,0,0|2,0,0]=4 886 B13R1.354 CCOC1=C(N)C=CC([N+](=O)[O-])=C1 5363 [0,2,0,0,0,0|2,0,0]=4 887 B13R1.651 COC1=C(Cl)C=C(Cl)C([N+](=O)[O-])=C1 28372 [0,2,0,0,0,0|2,0,0]=4 888 B13R1.651 COC1=C(Cl)C=C(F)C([N+](=O)[O-])=C1 8453 [0,2,0,0,0,0|2,0,0]=4 889 B13R1.651 COC1=C(F)C=C(Cl)C([N+](=O)[O-])=C1 28362 [0,2,0,0,0,0|2,0,0]=4 890 B13R1.651 COC1=C(F)C=C(F)C([N+](=O)[O-])=C1 28377 [0,2,0,0,0,0|2,0,0]=4 891 B13R1.651 COC1=C(F)C=C(N)C([N+](=O)[O-])=C1 28344 [0,2,0,0,0,0|2,0,0]=4 892 B13R1.651 COC1=C(N)C=C(Cl)C([N+](=O)[O-])=C1 12139 [0,2,0,0,0,0|2,0,0]=4 893 B13R1.651 COC1=CC(C(=O)O)=C(Br)C=C1F 28566 [0,2,0,0,0,0|1,0,0]=3 894 B13R1.651 COC1=CC(C(=O)O)=C(F)C=C1C 28651 [0,2,0,0,0,0|1,0,0]=3 895 B13R1.651 COC1=CC(C(=O)O)=C(F)C=C1N 28529 [0,2,0,0,0,0|1,0,0]=3 896 B13R1.651 COC1=CC(C(C)=O)=C(F)C=C1O 31197 [0,2,0,0,0,0|0,0,0]=2 897 B13R1.651 COC1=CC(C(C)=O)=C(N)C=C1F 26412 [0,2,0,0,0,0|1,0,0]=3 898 B13R1.651 COC1=CC([N+](=O)[O-])=C(N)C=C1C 31007 [0,2,0,0,0,0|2,0,0]=4 899 B13R1.3091 COC1=C(C=O)C=CC(C(=O)O)=C1 30753 [0,2,0,0,0,0|0,0,1]=3 900 B13R1.3091 COC1=C(C=O)C=CC([N+](=O)[O-])=C1 14276 [0,2,0,0,0,0|1,0,1]=4 901 B13R1.3091 COC1=C(CCl)C=C(C(C)=O)C=C1 24417 [0,2,0,0,0,0|2,0,0]=4 902 B13R1.3091 COC1=C(OC)C=C(B(O)O)C=C1 1826 [0,2,0,0,0,0|1,0,1]=4 903 B13R1.3091 COC1=C(OC)C=C(C(=N)N)C=C1 19820 [0,2,0,0,0,0|1,0,0]=3 904 B13R1.3091 COC1=C(OC)C=C(C(=O)O)C=C1 13788 [0,2,0,0,0,0|0,0,0]=2 905 B13R1.3091 COC1=C(OC)C=C(C(C)=O)C=C1 10581 [0,2,0,0,0,0|0,0,0]=2 906 B13R1.3091 COC1=C(OC)C=C([N+](=O)[O-])C=C1 19761 [0,2,0,0,0,0|1,0,0]=3 907 B13R1.3091 COC1=CC(C(=O)O)=CN=C1OC 27242 [0,2,0,0,0,0|1,0,0]=3 908 B13R1.3230 COC1=C(Br)C=CC(C(=O)O)=C1F 11647 [0,2,0,0,0,0|1,0,0]=3 909 B13R1.3230 COC1=C(Cl)C=CC(C(=O)O)=C1Cl 28618 [0,2,0,0,0,0|1,0,0]=3 910 B13R1.3230 COC1=C(F)C=CC(C(=O)O)=C1F 4941 [0,2,0,0,0,0|1,0,0]=3 911 B13R1.3230 COC1=C(F)C=CC(C(=O)O)=C1N 25252 [0,2,0,0,0,0|1,0,0]=3 912 B13R1.3230 COC1=C(O)C=CC(C(=O)O)=C1N 27593 [0,2,0,0,0,0|0,0,0]=2 913 B13R1.3230 COC1=C(O)C=CC(C(C)=O)=C1N 22817 [0,2,0,0,0,0|0,0,0]=2 914 B13R1.3230 COc1c(F)ccc(C(C)=O)c1F 29147 [0,2,0,0,0,0|1,0,0]=3 915 B13R1.99 COC1=C(B(O)O)C=CC(C=O)=C1 36300 [0,2,0,0,0,0|0,0,0]=2 916 B13R1.99 COC1=C(C(=O)O)C=CC(C#N)=C1 30674 [0,2,0,0,0,0|1,0,1]=4 917 B13R1.99 COC1=CC(OC)=C(B(O)O)C=C1 1823 [0,2,0,0,0,0|2,0,0]=4 918 B13R1.99 COC1=CC(OC)=C(C(=O)O)C=C1 4949 [0,2,0,0,0,0|2,0,0]=4 919 B13R1.355 CCOC1=C(OC)C=CC(C#N)=C1 28743 [0,2,0,0,0,0|1,0,1]=4 920 B13R1.355 CCOC1=C(OC)C=CC(C=O)=C1 13135 [0,2,0,0,0,0|0,0,0]=2 921 B13R1.386 CCOC1=CC(OC)=C(OC)C=C1 3044 [0,2,0,0,0,0|1,0,1]=4 922 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 20538 [0,2,0,0,0,0|1,0,1]=4 923 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 22139 [0,2,0,0,0,0|1,0,1]=4 924 B13R1.386 COC1=C(OC)C=C(CCO)C=C1 28132 [0,2,0,0,0,0|0,0,2]=4 925 B13R1.386 COC1=C(OC)C=C(N=C=O)C=C1 35593 [0,2,0,0,0,0|0,0,1]=3 926 B13R1.434 COC1=C(OC)C(I)=CC(C=O)=C1 30894 [0,2,0,0,0,0|0,0,0]=2 927 B13R1.434 COC1=C(OC)C(O)=CC(C=O)=C1 8241 [0,2,0,0,0,0|0,0,0]=2 928 B13R1.434 COC1=CC(C=O)=CC(Br)=C1OC 25905 [0,2,0,0,0,0|0,0,0]=2 929 B13R1.1249 CCOC1=C(OC)C=C(C=O)C=C1 2648 [0,2,0,0,0,0|0,0,0]=2 930 B13R1.1249 CCOC1=C(OC)C=C(OC)C=C1 3045 [0,2,0,0,0,0|2,0,0]=4 931 B13R1.2200 COC1=C(OC)C=C(C=O)C(Br)=C1 8209 [0,2,0,0,0,0|0,0,0]=2 932 B13R1.2200 COC1=C(OC)C=C(C=O)C(F)=C1 2651 [0,2,0,0,0,0|0,0,0]=2 933 B13R1.2200 COC1=CC(C=O)=C(OC)C=C1Br 2068 [0,2,0,0,0,0|1,0,0]=3 934 B13R1.2200 COC1=CC(F)=C(C#N)C=C1OC 3465 [0,2,0,0,0,0|1,0,1]=4 935 B13R1.2200 COC1=CC(N)=C(C#N)C=C1OC 4632 [0,2,0,0,0,0|1,0,1]=4 936 B13R1.2422 COC1=C(OC)C(Cl)=C(C=O)C=C1 7759 [0,2,0,0,0,0|0,0,0]=2 937 B13R1.2422 COC1=C(OC)C(Cl)=C(CBr)C=C1 35165 [0,2,0,0,0,0|1,0,1]=4 938 B13R1.2422 COC1=C(OC)C(Cl)=C(CCl)C=C1 35167 [0,2,0,0,0,0|1,0,1]=4 939 B13R1.2430 COC1=C(B(O)O)C=C(C=O)C=C1 7991 [0,2,0,0,0,0|2,0,0]=4 940 B13R1.2430 COC1=C(C(=O)O)C=C(C=O)C=C1 19969 [0,2,0,0,0,0|2,0,0]=4 941 B13R1.2430 COC1=C([N+](=O)[O-])C=C(C=O)C=C1 8145 [0,2,0,0,0,0|2,0,0]=4 942 B13R1.2431 COC(=O)C1=C(C)C=CC(C=O)=C1 30669 [0,2,0,0,0,0|1,0,0]=3 943 B13R1.2431 COC(=O)C1=C(O)C=CC(C#N)=C1 30668 [0,2,0,0,0,0|1,0,1]=4 944 B13R1.2431 COC(=O)C1=CC(C=O)=CC=C1O 10567 [0,2,0,0,0,0|0,0,0]=2 945 B13R1.52 COC1=C(C)C=CC(CC(=O)O)=C1 31547 [0,2,0,0,0,0|1,0,0]=3 946 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 25281 [0,2,0,0,0,0|1,0,0]=3 947 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 31437 [0,2,0,0,0,0|1,0,0]=3 948 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 14403 [0,2,0,0,0,0|0,0,0]=2 949 B13R1.433 CCC1=CC(C=O)=CC(CC)=C1O 30931 [0,2,0,0,0,0|1,0,0]=3 950 B13R1.433 COC1=CC(C=O)=CC(OC)=C1Br 8056 [0,2,0,0,0,0|1,0,0]=3 951 B13R1.437 O=CC1=CC(O)=C(O)C([N+](=O)[O-])=C1 8235 [0,2,0,0,0,0|2,0,0]=4 952 B13R1.98 CC(C)(C)C1=C(O)C=CC(C=O)=C1 28100 [0,2,0,0,0,0|1,0,0]=3 953 B13R1.98 O=CC1=CC(C(F)(F)F)=C(O)C=C1 17021 [0,2,0,0,0,0|2,0,0]=4 954 B13R1.2277 COC1=C(Br)C=CC(C=O)=C1OC 34156 [0,2,0,0,0,0|1,0,0]=3 955 B11R2.36 BrC1=CC2=C(C=C1)CCO2 28031 [1,0,0,1,0,0|2,0,0]=4 956 B11R2.36 BrC1=CC2=C(C=C1)OCC2 7055 [1,0,0,1,0,0|2,0,0]=4 957 B11R2.36 BrC1=CC2=C(C=C1)OCO2 3738 [1,0,0,1,0,0|1,0,0]=3 958 B11R2.36 ClC1=CC2=C(C=C1)OCO2 3620 [1,0,0,1,0,0|1,0,0]=3 959 B11R2.36 FC1=CC2=C(C=C1)OCC2 24189 [1,0,0,1,0,0|2,0,0]=4 960 B11R2.36 IC1=CC2=C(C=C1)OCC2 27760 [1,0,0,1,0,0|2,0,0]=4 961 B11R2.36 IC1=CC2=C(C=C1)OCO2 33795 [1,0,0,1,0,0|1,0,0]=3 962 B11R2.36 NC1=CC2=C(C=C1)OCC2 16462 [1,0,0,1,0,0|2,0,0]=4 963 B11R2.36 NC1=CC2=C(C=C1)OCC2 20541 [1,0,0,1,0,0|2,0,0]=4 964 B11R2.36 NC1=CC2=C(C=C1)OCO2 22150 [1,0,0,1,0,0|1,0,0]=3 965 B11R2.36 OC1=CC2=C(C=C1)CCO2 32303 [1,0,0,1,0,0|1,0,1]=4 966 B11R2.36 OC1=CC2=C(C=C1)OCO2 15359 [1,0,0,1,0,0|0,0,1]=3 967 B11R2.36 SC1=CC2=C(C=C1)OCO2 15612 [1,0,0,1,0,0|0,1,0]=3 968 B11R2.190 C=CC1=CC=C2CCC2=C1 35204 [1,0,0,1,0,0|2,0,0]=4 969 B13R2.430 CC(=O)C1=CC2=C(C=C1)CCO2 33775 [0,1,0,1,0,0|1,0,0]=3 970 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 13198 [0,1,0,1,0,0|0,0,0]=2 971 B13R2.430 O=C(Cl)C1=CC2=C(C=C1)OC=C2 7017 [0,1,0,1,0,0|1,0,1]=4 972 B13R2.430 O=C(Cl)C1=CC2=C(C=C1)OCC2 6935 [0,1,0,1,0,0|1,0,0]=3 973 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCO2 33735 [0,1,0,1,0,0|1,0,0]=3 974 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 7018 [0,1,0,1,0,0|1,0,1]=4 975 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 19084 [0,1,0,1,0,0|1,0,1]=4 976 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCC2 14824 [0,1,0,1,0,0|1,0,0]=3 977 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 9772 [0,1,0,1,0,0|0,0,0]=2 978 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 28024 [0,1,0,1,0,0|1,0,1]=4 979 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)OCC2 27762 [0,1,0,1,0,0|2,0,0]=4 980 B13R2.430 O=[N+]([O-])c1ccc2c(c1)OCO2 22908 [0,1,0,1,0,0|1,0,0]=3 981 B13R2.430 OB(O)C1=CC2=C(C=C1)OCO2 22674 [0,1,0,1,0,0|1,0,1]=4 982 B13R2.430 OB(O)C1=CC2=C(C=C1)OCO2 25906 [0,1,0,1,0,0|1,0,1]=4 983 B13R2.57 C#[N+]C1=CC2=C(C=C1)OCCO2 16170 [0,1,0,1,0,0|2,0,0]=4 984 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 14513 [0,1,0,1,0,0|0,0,0]=2 985 B13R2.57 O=CC1=CC2=C(C=N1)OCCO2 17718 [0,1,0,1,0,0|1,0,0]=3 986 B13R2.57 O=CC1=CN=C2OCCOC2=C1 26821 [0,1,0,1,0,0|1,0,0]=3 987 B13R2.669 CC1=NNC2=CC=C(C=O)C=C21 32536 [0,1,0,1,0,0|2,0,0]=4 988 B13R2.449 N#CCC1=CC2=C(C=C1)OCO2 24845 [0,1,0,1,0,0|1,0,1]=4 989 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 31788 [0,1,0,1,0,0|1,0,1]=4 990 B13R2.599 COC1=C(Cl)C=C2C=CNC2=C1 19944 [0,1,0,1,0,0|2,0,0]=4 991 B13R2.599 COC1=C(O)C=C2C=NNC2=C1 18030 [0,1,0,1,0,0|2,0,0]=4 992 B9R1.14 COC1=C(C=O)OC=C1 31930 [1,0,0,0,1,0|1,0,0]=3 993 B9R1.14 COC1=C(C=O)SC=C1 35392 [1,0,0,0,1,0|1,0,0]=3 994 B9R1.21 COC1=NC=C(C=O)S1 34880 [1,0,0,0,1,0|2,0,0]=4 995 B9R1.23 CC1=C(C)SC(C=O)=C1 20559 [1,0,0,0,1,0|2,0,0]=4 996 B11R1.265 COC1=C(C#N)C=CC=C1O 27945 [0,0,0,0,1,1|1,0,1]=4 997 B11R1.265 COC1=C(C=O)C=CC=C1C 30962 [0,0,0,0,1,1|1,0,0]=3 998 B11R1.265 COC1=C(C=O)C=CC=C1Cl 28396 [0,0,0,0,1,1|1,0,0]=3 999 B11R1.265 COC1=C(C=O)C=CC=C1F 1446 [0,0,0,0,1,1|1,0,0]=3 1000 B11R1.265 COC1=C(C=O)C=CN=C1Br 26878 [0,0,0,0,1,1|1,0,0]=3 1001 B11R1.265 COC1=CC=CC(O)=C1OC 28109 [0,0,0,0,1,1|2,0,0]=4