0 B10R1.20 BrCC1=C(CBr)C=CC=C1 10201 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.20 CCC1=C(C#N)C=CC=C1 12591 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.20 CCC1=C(C=O)C=CC=C1 3074 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.20 CCC1=C(NN)C=CC=C1 6412 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.20 CNC1=NC=CC=C1CO 29183 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.20 COC1=C(C#N)C=CC=C1 4812 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.20 COC1=C(C=O)C=CC=C1 7413 [0,0,0,0,0,0|0,0,0]=0 7 B10R1.20 COC1=C(C=O)C=CN=C1 33676 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.20 COC1=C(C=O)C=NC=C1 15264 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.20 COC1=C(CBr)C=CC=C1 14738 [0,0,0,0,0,0|1,0,1]=2 10 B10R1.20 COC1=C(CCl)C=CC=C1 4651 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.20 COC1=C(CN)C=CC=C1 7402 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.20 COC1=C(CO)C=CC=C1 7736 [0,0,0,0,0,0|0,0,2]=2 13 B10R1.20 COC1=C(NN)C=CC=C1 16110 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.20 COC1=C(NN)C=CC=C1 4496 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.20 COC1=C(OC)C=CC=C1 15018 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.20 COC1=C(SC)C=CC=C1 10651 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.20 COC1=CC=CN=C1C#N 29062 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.20 COC1=CC=CN=C1CO 24107 [0,0,0,0,0,0|1,0,2]=3 19 B10R1.20 COC1=CC=CN=C1OC 2412 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.20 COC1=CC=NC=C1C#N 13984 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.20 COC1=NC=CC=C1C=O 15124 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.20 CSC1=C(C=O)C=CC=C1 10676 [0,0,0,0,0,0|0,1,0]=1 23 B10R1.20 ClCC1=C(CCl)C=CC=C1 10209 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.20 N#CC1=C(C=O)C=CC=C1 7409 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.20 N#CC1=C(C=O)C=NC=C1 33546 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.20 N#CC1=C(C=O)N=CC=C1 33688 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.20 N#CC1=C(CBr)C=CC=C1 7371 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.20 N#CC1=C(CCl)C=CC=C1 7522 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.20 N#CC1=C(CN)C=CC=C1 31759 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.20 N#CC1=CC=CC=C1C#N 18562 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.20 N#CC1=NC=CC=C1C=O 33784 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.20 NCC1=C(CO)C=CC=C1 16185 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.20 OCC1=CC=CC=C1CO 22613 [0,0,0,0,0,0|2,0,2]=4 34 B9R1.15 BrCC1=C(Br)C=CC=C1 16915 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.15 BrCC1=C(I)C=CC=C1 14812 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.15 C#CC1=C(Cl)C=CC=C1 2550 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.15 C=CC1=C(Br)C=CC=C1 23975 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.15 CC1=C(C#N)C=CC=C1 25285 [1,0,0,0,0,0|1,0,1]=3 39 B9R1.15 CC1=C(C#N)C=CN=C1 20005 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.15 CC1=C(C#N)C=NC=C1 31633 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.15 CC1=C(C#N)C=NC=C1 6623 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.15 CC1=C(C=O)C=CC=N1 24064 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.15 CC1=C(CCl)C=CC=C1 7487 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.15 CC1=C(CN)C=CC=C1 10197 [1,0,0,0,0,0|1,0,1]=3 45 B9R1.15 CC1=C(CO)C=NC=C1 34710 [1,0,0,0,0,0|1,0,2]=4 46 B9R1.15 CC1=C(NN)C=CC=C1 22584 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.15 CC1=C(NN)C=CC=C1 6396 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.15 CC1=CC=CC=C1C=O 15511 [1,0,0,0,0,0|0,0,0]=1 49 B9R1.15 CC1=CC=CN=C1C#N 9627 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.15 CC1=CC=CN=C1C=O 17165 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.15 CC1=CC=NC=C1C#N 18426 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.15 CC1=CC=NC=C1C=O 18427 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.15 CC1=NC=CC=C1C#N 17460 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.15 CC1=NC=CC=C1CCl 26692 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.15 CC1=NC=CC=C1CO 26693 [1,0,0,0,0,0|1,0,2]=4 56 B9R1.15 CCC1=C(Br)C=CC=C1 3770 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.15 CCC1=C(I)C=CC=C1 3876 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.15 CCC1=C(N)C=CC=C1 20945 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.15 CCC1=C(N)C=CC=C1 21080 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.15 CCC1=C(O)C=CC=C1 3871 [1,0,0,0,0,0|1,0,1]=3 61 B9R1.15 CCC1=C(S)C=CC=C1 6844 [1,0,0,0,0,0|1,1,0]=3 62 B9R1.15 CCC1=CC=CN=C1N 35166 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.15 CCC1=NC=CC=C1Br 27958 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.15 CC[N+]1=C(Br)C=CC=C1 35190 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.15 CNC1=C(F)C=CC=C1 15527 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.15 CNC1=C(N)C=NC=C1 29063 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.15 CNC1=CC=CC=C1N 14987 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.15 COC1=C(Br)C=CC=C1 3725 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.15 COC1=C(Br)C=CN=C1 20095 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.15 COC1=C(Br)C=CN=C1 34713 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.15 COC1=C(Br)C=NC=C1 6686 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.15 COC1=C(C)C=CN=C1 34674 [1,0,0,0,0,0|1,0,1]=3 73 B9R1.15 COC1=C(Cl)C=CC=C1 3614 [1,0,0,0,0,0|1,0,0]=2 74 B9R1.15 COC1=C(Cl)C=CN=C1 33677 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.15 COC1=C(Cl)C=NC=C1 6687 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.15 COC1=C(F)C=CC=C1 3473 [1,0,0,0,0,0|1,0,0]=2 77 B9R1.15 COC1=C(I)C=CC=C1 3898 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.15 COC1=C(I)C=NC=C1 34558 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.15 COC1=C(N)C=CN=C1 27755 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.15 COC1=C(O)C=CN=C1 34289 [1,0,0,0,0,0|1,0,1]=3 81 B9R1.15 COC1=C(S)C=CC=C1 6816 [1,0,0,0,0,0|0,1,0]=2 82 B9R1.15 COC1=CC=CC=C1O 26545 [1,0,0,0,0,0|0,0,1]=2 83 B9R1.15 COC1=CC=CN=C1Br 5916 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.15 COC1=CC=CN=C1C 6637 [1,0,0,0,0,0|1,0,1]=3 85 B9R1.15 COC1=CC=CN=C1Cl 6146 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.15 COC1=CC=CN=C1N 28123 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.15 COC1=CC=CN=C1O 6543 [1,0,0,0,0,0|1,0,1]=3 88 B9R1.15 COC1=CN=CN=C1Cl 32304 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.15 COC1=NC=CC=C1Br 1180 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.15 COC1=NC=CC=C1C 6594 [1,0,0,0,0,0|1,0,1]=3 91 B9R1.15 COC1=NC=CC=C1Cl 1189 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.15 COC1=NC=CC=C1F 10624 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.15 COC1=NC=CC=C1I 6586 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.15 COC1=NC=CC=C1N 1269 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.15 COC1=NC=CN=C1Br 32150 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.15 COC1=NC=CN=C1C 9109 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.15 COC1=NC=CN=C1Cl 8545 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.15 COC1=NC=CN=C1N 27380 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.15 CSC1=C(Br)C=CC=C1 10648 [1,0,0,0,0,0|1,1,0]=3 100 B9R1.15 CSC1=C(C)C=CC=C1 10730 [1,0,0,0,0,0|0,1,1]=3 101 B9R1.15 CSC1=C(Cl)C=CC=C1 10643 [1,0,0,0,0,0|1,1,0]=3 102 B9R1.15 CSC1=C(F)C=CC=C1 10638 [1,0,0,0,0,0|1,1,0]=3 103 B9R1.15 CSC1=C(I)C=CC=C1 10668 [1,0,0,0,0,0|1,1,0]=3 104 B9R1.15 CSC1=C(N)C=CC=C1 10633 [1,0,0,0,0,0|1,1,0]=3 105 B9R1.15 CSC1=C(O)C=CC=C1 10666 [1,0,0,0,0,0|0,1,1]=3 106 B9R1.15 ClC1=C(CBr)C=CC=C1 12482 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.15 ClCC1=C(Cl)C=CC=C1 10203 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.15 FC1=C(CBr)C=CC=C1 10383 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.15 FC1=C(CCl)C=CC=C1 2094 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.15 N#CC1=C(Br)C=CC=C1 3744 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.15 N#CC1=C(F)C=CC=C1 1578 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.15 N#CC1=C(I)C=CC=C1 3932 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.15 N#CC1=C(O)C=CC=C1 4803 [1,0,0,0,0,0|1,0,1]=3 114 B9R1.15 N#CC1=CC=CC=C1N 13630 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.15 N#CC1=CC=CN=C1O 20421 [1,0,0,0,0,0|2,0,1]=4 116 B9R1.15 N#CC1=CC=CN=C1O 6539 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.15 N#CC1=CN=CC=C1O 13974 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.15 N#CC1=NC=CC=C1O 9231 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.15 NC1=C(C=O)C=CC=C1 15692 [1,0,0,0,0,0|1,0,0]=2 120 B9R1.15 NC1=C(C=O)C=CN=C1 26765 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.15 NC1=C(C=O)C=NC=C1 7681 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.15 NC1=C(CO)C=CC=C1 7478 [1,0,0,0,0,0|1,0,2]=4 123 B9R1.15 NC1=CC=CN=C1C=O 7680 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.15 NC1=NC=CC=C1C=O 1262 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.15 NCC1=C(Br)C=CC=C1 20398 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.15 NCC1=C(Br)C=CC=C1 3749 [1,0,0,0,0,0|2,0,1]=4 127 B9R1.15 NCC1=C(Cl)C=CC=C1 5800 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.15 NCC1=C(Cl)C=CC=C1 6155 [1,0,0,0,0,0|2,0,1]=4 129 B9R1.15 NCC1=C(F)C=CC=C1 4415 [1,0,0,0,0,0|2,0,1]=4 130 B9R1.15 NCC1=C(N)C=CC=C1 23363 [1,0,0,0,0,0|2,0,1]=4 131 B9R1.15 NCC1=C(O)C=CC=C1 7383 [1,0,0,0,0,0|1,0,1]=3 132 B9R1.15 NCC1=NC=CC=C1O 34602 [1,0,0,0,0,0|2,0,1]=4 133 B9R1.15 NNC1=C(Br)C=CC=C1 4463 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.15 NNC1=C(Cl)C=CC=C1 4482 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.15 NNC1=C(F)C=CC=C1 3347 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.15 NNC1=C(F)C=CC=C1 3350 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.15 O=CC1=C(Br)C=CC=C1 3727 [1,0,0,0,0,0|1,0,0]=2 138 B9R1.15 O=CC1=C(Br)C=CN=C1 5061 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.15 O=CC1=C(Br)C=NC=C1 5063 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.15 O=CC1=C(Cl)C=CN=C1 7359 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.15 O=CC1=C(Cl)C=NC=C1 25431 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.15 O=CC1=C(F)C=CC=C1 3476 [1,0,0,0,0,0|1,0,0]=2 143 B9R1.15 O=CC1=C(F)C=NC=C1 5137 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.15 O=CC1=C(I)C=CC=C1 3914 [1,0,0,0,0,0|1,0,0]=2 145 B9R1.15 O=CC1=C(O)C=NC=C1 33398 [1,0,0,0,0,0|1,0,0]=2 146 B9R1.15 O=CC1=C(O)N=CC=C1 17177 [1,0,0,0,0,0|1,0,0]=2 147 B9R1.15 O=CC1=CC=CN=C1Br 5057 [1,0,0,0,0,0|2,0,0]=3 148 B9R1.15 O=CC1=CC=CN=C1Cl 31630 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.15 O=CC1=CC=CN=C1Cl 5097 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.15 O=CC1=CC=CN=C1F 5131 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.15 O=CC1=NC=CC=C1Br 15122 [1,0,0,0,0,0|2,0,0]=3 152 B9R1.15 O=CC1=NC=CC=C1Cl 17163 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.15 O=CC1=NC=CC=C1F 5142 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.15 O=CC1=NC=CC=C1O 12415 [1,0,0,0,0,0|1,0,0]=2 155 B9R1.15 O=CC1=NC=CN=C1Cl 32137 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.15 O=CC1=NC=NC=C1Br 21031 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.15 OCC1=C(Br)C=CC=C1 3746 [1,0,0,0,0,0|1,0,2]=4 158 B9R1.15 OCC1=C(Cl)C=CC=C1 3625 [1,0,0,0,0,0|1,0,2]=4 159 B9R1.15 OCC1=C(F)C=CC=C1 3485 [1,0,0,0,0,0|1,0,2]=4 160 B9R1.15 OCC1=C(O)C=CC=C1 21869 [1,0,0,0,0,0|0,0,2]=3 161 B9R1.15 OCC1=NC=CC=C1O 4075 [1,0,0,0,0,0|1,0,2]=4 162 B9R1.15 SCC1=C(Cl)C=CC=C1 6836 [1,0,0,0,0,0|1,1,1]=4 163 B9R1.15 SCc1ccccc1Br 6847 [1,0,0,0,0,0|1,1,1]=4 164 B11R1.37 C#CC1=C(OC)C=C(O)C=C1 45209 [0,1,0,0,0,0|1,0,1]=3 165 B11R1.37 CC1=CC(C#N)=C(C=O)C=C1 27853 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.37 CCC1=C(C=O)C=C(Br)C=C1 30974 [0,1,0,0,0,0|1,0,0]=2 167 B11R1.37 CCC1=C(C=O)C=CC(O)=C1 28097 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.37 COC1=C(C#N)C=C(Br)C=C1 33822 [0,1,0,0,0,0|1,0,1]=3 169 B11R1.37 COC1=C(C#N)C=C(Br)C=N1 22053 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.37 COC1=C(C#N)C=C(Cl)C=C1 3662 [0,1,0,0,0,0|1,0,1]=3 171 B11R1.37 COC1=C(C#N)C=C(F)C=C1 3502 [0,1,0,0,0,0|1,0,1]=3 172 B11R1.37 COC1=C(C#N)C=C(I)C=C1 8166 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.37 COC1=C(C#N)C=CC(Br)=C1 12802 [0,1,0,0,0,0|1,0,1]=3 174 B11R1.37 COC1=C(C#N)C=CC(C)=C1 28757 [0,1,0,0,0,0|1,0,1]=3 175 B11R1.37 COC1=C(C#N)C=CC(F)=C1 4786 [0,1,0,0,0,0|1,0,1]=3 176 B11R1.37 COC1=C(C#N)C=CC(O)=C1 27703 [0,1,0,0,0,0|1,0,1]=3 177 B11R1.37 COC1=C(C=O)C=C(Br)C=C1 2644 [0,1,0,0,0,0|0,0,0]=1 178 B11R1.37 COC1=C(C=O)C=C(Cl)C=C1 2639 [0,1,0,0,0,0|0,0,0]=1 179 B11R1.37 COC1=C(C=O)C=C(Cl)C=N1 26870 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.37 COC1=C(C=O)C=C(F)C=C1 2636 [0,1,0,0,0,0|0,0,0]=1 181 B11R1.37 COC1=C(C=O)C=C(F)C=N1 16100 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.37 COC1=C(C=O)C=CC(Br)=C1 30906 [0,1,0,0,0,0|0,0,0]=1 183 B11R1.37 COC1=C(C=O)C=CC(C)=C1 18122 [0,1,0,0,0,0|0,0,0]=1 184 B11R1.37 COC1=C(C=O)C=CC(Cl)=C1 28397 [0,1,0,0,0,0|0,0,0]=1 185 B11R1.37 COC1=C(C=O)C=CC(F)=C1 2635 [0,1,0,0,0,0|0,0,0]=1 186 B11R1.37 COC1=C(C=O)C=CC(F)=N1 27961 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.37 COC1=C(C=O)C=CC(O)=C1 8130 [0,1,0,0,0,0|0,0,0]=1 188 B11R1.37 COC1=C(CBr)C=C(F)C=C1 4924 [0,1,0,0,0,0|1,0,1]=3 189 B11R1.37 COC1=C(CBr)C=CC(Br)=C1 31309 [0,1,0,0,0,0|1,0,1]=3 190 B11R1.37 COC1=C(CBr)C=CC(F)=C1 31307 [0,1,0,0,0,0|1,0,1]=3 191 B11R1.37 COC1=C(CN)C=CC(F)=C1 31244 [0,1,0,0,0,0|1,0,1]=3 192 B11R1.37 COC1=C(CO)C=C(Br)C=C1 4888 [0,1,0,0,0,0|0,0,2]=3 193 B11R1.37 COC1=C(CO)C=C(F)C=C1 27472 [0,1,0,0,0,0|0,0,2]=3 194 B11R1.37 COC1=C(CO)C=CC(F)=C1 31306 [0,1,0,0,0,0|0,0,2]=3 195 B11R1.37 COC1=C(NN)C=C(Cl)C=C1 4473 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.37 COC1=C(NN)C=CC(Cl)=C1 34865 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.37 COC1=C(OC)C=C(Br)C=C1 3037 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.37 COC1=C(OC)C=C(C)C=C1 23595 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.37 COC1=C(OC)C=C(Cl)C=C1 25469 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.37 COC1=C(OC)C=C(I)C=C1 3052 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.37 COC1=C(OC)C=C(N)C=C1 22907 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.37 COC1=C(OC)C=C(O)C=C1 4113 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.37 COC1=C(OC)C=C(S)C=C1 6823 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.37 COC1=CC(Br)=CN=C1C#N 16550 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.37 COC1=CC(Cl)=CN=C1OC 26919 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.37 COC1=CC=C(F)C=C1OC 3048 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.37 COC1=NC=C(Br)C=C1C=O 9207 [0,1,0,0,0,0|1,0,0]=2 208 B11R1.37 COC1=NC=C(Br)C=C1CO 34518 [0,1,0,0,0,0|1,0,2]=4 209 B11R1.37 COC1=NC=C(Cl)C=C1CO 26862 [0,1,0,0,0,0|1,0,2]=4 210 B11R1.37 COC1=NC=C(F)C=C1C#N 35983 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.37 N#CC1=C(C=O)C=C(F)C=C1 17012 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.37 N#CC1=C(C=O)C=CC(Cl)=C1 30970 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.37 N#CC1=C(C=O)C=CC(F)=C1 17010 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.41 CCOC1=C(C#N)C=CC=C1 4773 [0,1,0,0,0,0|1,0,1]=3 215 B11R1.41 CCOC1=C(C=O)C=CC=C1 9726 [0,1,0,0,0,0|0,0,0]=1 216 B11R1.41 CCOC1=C(CN)C=CC=C1 7400 [0,1,0,0,0,0|1,0,1]=3 217 B11R1.41 CCOC1=C(OC)C=CC=C1 3067 [0,1,0,0,0,0|1,0,1]=3 218 B11R1.41 CCOC1=CC=NC=C1C=O 34477 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.41 COC1=C(CC=O)C=CC=C1 17222 [0,1,0,0,0,0|0,0,0]=1 220 B11R1.41 COC1=C(CCN)C=CC=C1 23973 [0,1,0,0,0,0|1,0,1]=3 221 B11R1.41 COC1=C(CCO)C=CC=C1 24377 [0,1,0,0,0,0|0,0,2]=3 222 B11R1.41 N#CC1=C(N=C=O)C=CC=C1 28894 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.41 O=CC1=C(CCBr)C=CC=C1 19638 [0,1,0,0,0,0|1,0,0]=2 224 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 19668 [0,1,0,0,0,0|1,0,1]=3 225 B11R1.53 C=CC1=C([N+](=O)[O-])C=CC=C1 23837 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.53 CC(=O)C1=C(C#N)C=CC=C1 19789 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.53 CC(C)C1=C(C=O)C=CC=C1 27833 [0,1,0,0,0,0|1,0,0]=2 228 B11R1.53 CCC1=C(B(O)O)C=CC=C1 14050 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 9869 [0,1,0,0,0,0|1,0,0]=2 230 B11R1.53 CCC1=NC=CN=C1C(C)=O 8615 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.53 CNC1=NC=CC=C1[N+](=O)[O-] 16597 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.53 COC1=C(B(O)O)C=CC=C1 1865 [0,1,0,0,0,0|1,0,1]=3 233 B11R1.53 COC1=C(B(O)O)C=CN=C1 23549 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.53 COC1=C(B(O)O)C=NC=C1 34816 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.53 COC1=C(B(O)O)C=NC=C1 6432 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.53 COC1=C(C(=O)O)C=CC=C1 18488 [0,1,0,0,0,0|0,0,0]=1 237 B11R1.53 COC1=C(C(=O)O)C=CC=N1 20354 [0,1,0,0,0,0|1,0,0]=2 238 B11R1.53 COC1=C(C(=O)O)C=CN=C1 10457 [0,1,0,0,0,0|1,0,0]=2 239 B11R1.53 COC1=C(C(C)=O)C=CC=C1 4278 [0,1,0,0,0,0|0,0,0]=1 240 B11R1.53 COC1=C(C(C)=O)C=NC=C1 33637 [0,1,0,0,0,0|1,0,0]=2 241 B11R1.53 COC1=C(C(C)O)C=CC=C1 25006 [0,1,0,0,0,0|0,0,2]=3 242 B11R1.53 COC1=C(C(N)=S)C=CC=C1 35098 [0,1,0,0,0,0|0,1,0]=2 243 B11R1.53 COC1=C([C@@H](C)N)C=CC=C1 24748 [0,1,0,0,0,0|1,0,1]=3 244 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 24747 [0,1,0,0,0,0|1,0,1]=3 245 B11R1.53 COC1=C([N+](=O)[O-])C=CC=C1 9645 [0,1,0,0,0,0|1,0,0]=2 246 B11R1.53 COC1=C([N+](=O)[O-])C=NC=C1 14990 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.53 COC1=C([N+](=O)[O-])C=NC=C1 6689 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.53 COC1=CC=CC=C1C(=O)Cl 26362 [0,1,0,0,0,0|0,0,0]=1 249 B11R1.53 COC1=CC=CN=C1B(O)O 24108 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.53 COC1=CC=CN=C1[N+](=O)[O-] 3990 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.53 COC1=CC=NC=C1C(=O)O 33397 [0,1,0,0,0,0|1,0,0]=2 252 B11R1.53 COC1=NC=CC=C1B(O)O 5046 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.53 COC1=NC=CC=C1C(C)=O 27866 [0,1,0,0,0,0|1,0,0]=2 254 B11R1.53 COC1=NC=CC=C1[N+](=O)[O-] 6593 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.53 COC1=NC=CN=C1C(=O)O 27950 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.53 CSC1=C(C(=O)O)C=CC=C1 10324 [0,1,0,0,0,0|0,1,0]=2 257 B11R1.53 CSC1=C([N+](=O)[O-])C=CC=C1 2110 [0,1,0,0,0,0|1,1,0]=3 258 B11R1.53 N#CC1=C(C(=O)O)C=CC=C1 12513 [0,1,0,0,0,0|2,0,0]=3 259 B11R1.53 N#CC1=C(C(=O)O)C=CC=N1 34217 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.53 N#CC1=C(C(=O)O)C=CN=C1 34418 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.53 N#CC1=C([N+](=O)[O-])C=CC=C1 15693 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 6411 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.53 NNC1=C([N+](=O)[O-])C=CC=C1 12859 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.53 NNC1=C([N+](=O)[O-])C=CC=C1 6408 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.53 O=C(O)c1ccccc1CBr 23937 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.53 O=CC1=C(B(O)O)C=CC=C1 1718 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.53 O=CC1=C(C(=O)O)C=CC=C1 7365 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.53 O=CC1=C([N+](=O)[O-])C=CC=C1 7762 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.53 O=CC1=C([N+](=O)[O-])C=NC=C1 9764 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.53 O=CC1=CN=CC=C1[N+](=O)[O-] 27719 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.53 O=[N+]([O-])C1=C(CBr)C=CC=C1 7493 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.53 O=[N+]([O-])C1=C(CO)C=CC=C1 7474 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.265 CC1=CC=CC(C=O)=C1C#N 30981 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.265 CCC1=C(C#N)C(O)=CC=C1 27793 [0,1,0,0,0,0|2,0,1]=4 275 B11R1.265 CCC1=C(C=O)C(O)=CC=C1 27796 [0,1,0,0,0,0|1,0,0]=2 276 B11R1.265 COC1=C(C#N)C(=O)NC=C1 12986 [0,1,0,0,0,0|2,0,1]=4 277 B11R1.265 COC1=C(C#N)C(C)=CC=C1 30778 [0,1,0,0,0,0|1,0,1]=3 278 B11R1.265 COC1=C(C#N)C=CC=C1Br 30807 [0,1,0,0,0,0|1,0,1]=3 279 B11R1.265 COC1=C(C#N)C=CC=C1F 25287 [0,1,0,0,0,0|1,0,1]=3 280 B11R1.265 COC1=C(C#N)C=CC=C1O 27945 [0,1,0,0,0,0|1,0,1]=3 281 B11R1.265 COC1=C(C=O)C(Br)=CC=N1 27959 [0,1,0,0,0,0|1,0,0]=2 282 B11R1.265 COC1=C(C=O)C(C)=CC=C1 34133 [0,1,0,0,0,0|0,0,0]=1 283 B11R1.265 COC1=C(C=O)C(Cl)=CC=N1 35811 [0,1,0,0,0,0|1,0,0]=2 284 B11R1.265 COC1=C(C=O)C(I)=CC=N1 19522 [0,1,0,0,0,0|1,0,0]=2 285 B11R1.265 COC1=C(C=O)C(O)=CC=C1 8210 [0,1,0,0,0,0|0,0,0]=1 286 B11R1.265 COC1=C(C=O)C=CC=C1C 30962 [0,1,0,0,0,0|0,0,0]=1 287 B11R1.265 COC1=C(C=O)C=CC=C1Cl 28396 [0,1,0,0,0,0|0,0,0]=1 288 B11R1.265 COC1=C(C=O)C=CC=C1F 1446 [0,1,0,0,0,0|0,0,0]=1 289 B11R1.265 COC1=C(C=O)C=CN=C1Br 26878 [0,1,0,0,0,0|1,0,0]=2 290 B11R1.265 COC1=CC=CC(Br)=C1C#N 30770 [0,1,0,0,0,0|1,0,1]=3 291 B11R1.265 COC1=CC=CC(Cl)=C1C#N 33423 [0,1,0,0,0,0|1,0,1]=3 292 B11R1.265 COC1=CC=CC(Cl)=C1C=O 30889 [0,1,0,0,0,0|0,0,0]=1 293 B11R1.265 COC1=CC=CC(F)=C1C#N 10117 [0,1,0,0,0,0|1,0,1]=3 294 B11R1.265 COC1=CC=CC(F)=C1C=O 8486 [0,1,0,0,0,0|0,0,0]=1 295 B11R1.265 COC1=CC=CC(F)=C1CBr 31344 [0,1,0,0,0,0|1,0,1]=3 296 B11R1.265 COC1=CC=CC(F)=C1CN 4421 [0,1,0,0,0,0|1,0,1]=3 297 B11R1.265 COC1=CC=CC(F)=C1OC 28467 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.265 COC1=CC=CC(O)=C1OC 28109 [0,1,0,0,0,0|2,0,0]=3 299 B11R1.265 COC1=CC=NC(Cl)=C1C#N 23455 [0,1,0,0,0,0|2,0,1]=4 300 B11R1.265 COC1=CC=NC(N)=C1C#N 9629 [0,1,0,0,0,0|2,0,1]=4 301 B11R1.265 COC1=CN=CC(Br)=C1C=O 27699 [0,1,0,0,0,0|1,0,0]=2 302 B11R1.265 COC1=CN=CC(N)=C1C#N 16548 [0,1,0,0,0,0|2,0,1]=4 303 B11R1.265 COC1=NC=CC(I)=C1OC 26917 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.265 CSC1=CC=CC(Cl)=C1C=O 27636 [0,1,0,0,0,0|0,1,0]=2 305 B11R1.265 N#CC1=C(C=O)C(Cl)=CC=C1 16468 [0,1,0,0,0,0|2,0,0]=3 306 B11R1.265 N#CC1=C(C=O)C(F)=CC=C1 4189 [0,1,0,0,0,0|2,0,0]=3 307 B11R1.265 N#CC1=C(C=O)C=CC=C1Cl 14126 [0,1,0,0,0,0|2,0,0]=3 308 B11R1.265 O=CC1=CC=CC(F)=C1C=O 24180 [0,1,0,0,0,0|2,0,0]=3 309 B11R2.1 BrC1=CNC2=CC=CC=C12 11087 [0,0,0,1,0,0|2,0,1]=4 310 B11R2.1 BrC1=COC2=C1C=CC=C2 28021 [0,0,0,1,0,0|1,0,1]=3 311 B11R2.1 BrC1=CSC2=C1C=CC=C2 13106 [0,0,0,1,0,0|1,1,1]=4 312 B11R2.1 BrC1=NNC2=CC=CC=C21 11861 [0,0,0,1,0,0|3,0,0]=4 313 B11R2.1 CC1=CCC2=CC=CC=C12 15081 [0,0,0,1,0,0|2,0,1]=4 314 B11R2.1 CC1=CNC2=CC=CC=C12 7505 [0,0,0,1,0,0|2,0,1]=4 315 B11R2.1 CC1=CSC2=C1C=CC=C2 13547 [0,0,0,1,0,0|1,1,1]=4 316 B11R2.1 CC1=NNC2=CC=CC=C21 7820 [0,0,0,1,0,0|3,0,0]=4 317 B11R2.1 CC1C=CC2=CC=CC=C21 15080 [0,0,0,1,0,0|2,0,0]=3 318 B11R2.1 CC1CNC2=CC=CC=C21 15858 [0,0,0,1,0,0|2,0,1]=4 319 B11R2.1 CN1C=CC2=CC=CC=C21 7436 [0,0,0,1,0,0|2,0,0]=3 320 B11R2.1 CN1C=CC2=CC=CN=C21 35080 [0,0,0,1,0,0|3,0,0]=4 321 B11R2.1 CN1C=NC2=C1C=CC=C2 7613 [0,0,0,1,0,0|3,0,0]=4 322 B11R2.1 CN1N=NC2=C1C=CC=C2 28190 [0,0,0,1,0,0|3,0,0]=4 323 B11R2.1 ClC1=CNC2=CC=CC=C12 25672 [0,0,0,1,0,0|2,0,1]=4 324 B11R2.1 ClC1=NOC2=C1C=CC=C2 8716 [0,0,0,1,0,0|2,0,0]=3 325 B11R2.1 ClC1=NSC2=C1C=CC=C2 22324 [0,0,0,1,0,0|2,1,0]=4 326 B11R2.1 IC1=NNC2=CC=CC=C21 11868 [0,0,0,1,0,0|3,0,0]=4 327 B11R2.1 NC1=NCc2ccccc21 31698 [0,0,0,1,0,0|3,0,0]=4 328 B11R2.1 NC1=NNC2=CC=CC=C21 11848 [0,0,0,1,0,0|3,0,0]=4 329 B11R2.1 NC1=NOC2=C1C=CC=C2 14511 [0,0,0,1,0,0|2,0,0]=3 330 B11R2.1 NC1CCC2=CC=CC=C21 10981 [0,0,0,1,0,0|2,0,1]=4 331 B11R2.1 NC1COC2=NC=CC=C21 34572 [0,0,0,1,0,0|2,0,1]=4 332 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 21741 [0,0,0,1,0,0|2,0,1]=4 333 B11R2.1 N[C@H]1CCc2ccccc21 12577 [0,0,0,1,0,0|2,0,1]=4 334 B11R2.1 N[C@H]1CCc2ccccc21 23853 [0,0,0,1,0,0|2,0,1]=4 335 B11R2.1 O=C1CCC2=CC=CC=C12 5339 [0,0,0,1,0,0|1,0,0]=2 336 B11R2.1 O=C1CCc2ncccc21 26187 [0,0,0,1,0,0|2,0,0]=3 337 B11R2.1 O=C1COC2=C1C=CC=C2 7023 [0,0,0,1,0,0|0,0,0]=1 338 B11R2.1 O=C1COC2=C1C=NC=C2 24176 [0,0,0,1,0,0|1,0,0]=2 339 B11R2.1 O=C1COC2=CN=CC=C12 24154 [0,0,0,1,0,0|1,0,0]=2 340 B11R2.1 O=C1COC2=NC=CC=C12 24153 [0,0,0,1,0,0|1,0,0]=2 341 B11R2.1 O=C1CSC2=C1C=CC=C2 23797 [0,0,0,1,0,0|0,1,0]=2 342 B11R2.1 O=C1NCC2=CC=CC=C12 25108 [0,0,0,1,0,0|2,0,0]=3 343 B11R2.1 O=C1NN=C2C=CC=CN12 9282 [0,0,0,1,0,0|3,0,0]=4 344 B11R2.1 O=C1NNC2=CC=CC=C12 28083 [0,0,0,1,0,0|2,0,0]=3 345 B11R2.1 O=C1NSC2=C1C=CC=C2 15685 [0,0,0,1,0,0|1,1,0]=3 346 B11R2.1 O=C1OCC2=CC=CC=C12 22169 [0,0,0,1,0,0|2,0,0]=3 347 B11R2.1 O=C1SSC2=C1C=CC=C2 32197 [0,0,0,1,0,0|1,1,0]=3 348 B11R2.1 OC1=CNC2=CC=CC=C12 7264 [0,0,0,1,0,0|1,0,2]=4 349 B11R2.1 OC1=NOC2=C1C=CC=C2 27626 [0,0,0,1,0,0|1,0,1]=3 350 B11R2.20 C1=CC2=C(C=C1)COCC2 20553 [0,0,0,1,0,0|1,0,2]=4 351 B11R2.20 C1=CC2=C(C=C1)OCCN2 22677 [0,0,0,1,0,0|2,0,0]=3 352 B11R2.20 C1=CC2=C(C=C1)OCCO2 9750 [0,0,0,1,0,0|2,0,0]=3 353 B11R2.20 C1=CC2=C(N=C1)NCCO2 18891 [0,0,0,1,0,0|3,0,0]=4 354 B11R2.20 C1=CC=C2C=NC=CC2=C1 7536 [0,0,0,1,0,0|2,0,1]=4 355 B11R2.20 C1=CC=C2CNCCC2=C1 7253 [0,0,0,1,0,0|2,0,1]=4 356 B11R2.20 C1=CC=C2NCCCC2=C1 7513 [0,0,0,1,0,0|2,0,1]=4 357 B11R2.20 C1=CN=C2CCCOC2=C1 27198 [0,0,0,1,0,0|2,0,1]=4 358 B11R2.20 C1=CN=C2OCCOC2=C1 27263 [0,0,0,1,0,0|3,0,0]=4 359 B9R1.14 CCN1C=CN=C1C=O 24824 [0,0,0,0,1,0|3,0,0]=4 360 B9R1.14 COC1=C(C=O)OC=C1 31930 [0,0,0,0,1,0|1,0,0]=2 361 B9R1.14 COC1=C(C=O)SC=C1 35392 [0,0,0,0,1,0|1,0,0]=2 362 B9R1.14 COC1=CSC=C1OC 15752 [0,0,0,0,1,0|3,0,0]=4 363 B9R1.14 O=CC1=C(C=O)SC=C1 18121 [0,0,0,0,1,0|3,0,0]=4 364 B8R1.2 BrCC1=CC=CC=C1 13143 [2,0,0,0,0,0|1,0,1]=4 365 B8R1.2 C#CC1=CC=CC=C1 15340 [2,0,0,0,0,0|1,0,1]=4 366 B8R1.2 C=CC1=NC=CC=C1 23910 [2,0,0,0,0,0|2,0,0]=4 367 B8R1.2 CNC1=CC=CN=C1 14983 [2,0,0,0,0,0|2,0,0]=4 368 B8R1.2 CNC1=CC=NC=C1 12915 [2,0,0,0,0,0|2,0,0]=4 369 B8R1.2 COC1=CC=CC=C1 12830 [2,0,0,0,0,0|0,0,0]=2 370 B8R1.2 COC1=CC=CC=C1 17272 [2,0,0,0,0,0|0,0,0]=2 371 B8R1.2 COC1=CC=CN=C1 15370 [2,0,0,0,0,0|1,0,0]=3 372 B8R1.2 COC1=CC=NC=C1 2585 [2,0,0,0,0,0|1,0,0]=3 373 B8R1.2 COC1=CN=CN=C1 25073 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.2 COC1=NC=CC=C1 13201 [2,0,0,0,0,0|1,0,0]=3 375 B8R1.2 COC1=NC=CN=C1 8605 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.2 COC1=NC=NC=C1 21029 [2,0,0,0,0,0|2,0,0]=4 377 B8R1.2 CSC1=CC=CC=C1 10578 [2,0,0,0,0,0|0,1,0]=3 378 B8R1.2 CSC1=NC=CC=C1 35938 [2,0,0,0,0,0|1,1,0]=4 379 B8R1.2 N#Cc1ccccc1 25507 [2,0,0,0,0,0|1,0,1]=4 380 B8R1.2 NCC1=CC=CC=C1 25530 [2,0,0,0,0,0|1,0,1]=4 381 B8R1.2 NNC1=CC=CC=C1 22925 [2,0,0,0,0,0|2,0,0]=4 382 B8R1.2 O=CC1=CC=CN=C1 1124 [2,0,0,0,0,0|1,0,0]=3 383 B8R1.2 O=CC1=CC=CN=N1 23311 [2,0,0,0,0,0|2,0,0]=4 384 B8R1.2 O=CC1=CC=NC=C1 11745 [2,0,0,0,0,0|1,0,0]=3 385 B8R1.2 O=CC1=CN=CN=C1 5298 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.2 O=CC1=NC=CC=C1 11741 [2,0,0,0,0,0|1,0,0]=3 387 B8R1.2 O=CC1=NC=CC=N1 23190 [2,0,0,0,0,0|2,0,0]=4 388 B8R1.2 O=CC1=NC=CN=C1 32140 [2,0,0,0,0,0|2,0,0]=4 389 B8R1.2 SCC1=CC=CC=C1 6835 [2,0,0,0,0,0|0,1,1]=4 390 B8R1.5 BrC1=C(Br)C=CC=C1 3852 [2,0,0,0,0,0|2,0,0]=4 391 B8R1.5 BrC1=C(I)C=CC=C1 19983 [2,0,0,0,0,0|2,0,0]=4 392 B8R1.5 BrC1=C(I)C=CC=C1 2278 [2,0,0,0,0,0|2,0,0]=4 393 B8R1.5 CC1=C(Br)C=CC=C1 3834 [2,0,0,0,0,0|1,0,0]=3 394 B8R1.5 CC1=C(Br)C=CN=C1 10604 [2,0,0,0,0,0|2,0,0]=4 395 B8R1.5 CC1=C(Br)C=CN=C1 6889 [2,0,0,0,0,0|2,0,0]=4 396 B8R1.5 CC1=C(Br)C=NC=C1 3994 [2,0,0,0,0,0|2,0,0]=4 397 B8R1.5 CC1=C(Cl)C=CC=C1 19748 [2,0,0,0,0,0|1,0,0]=3 398 B8R1.5 CC1=C(Cl)C=CN=C1 17464 [2,0,0,0,0,0|2,0,0]=4 399 B8R1.5 CC1=C(Cl)C=CN=C1 9218 [2,0,0,0,0,0|2,0,0]=4 400 B8R1.5 CC1=C(Cl)C=NC=C1 14323 [2,0,0,0,0,0|2,0,0]=4 401 B8R1.5 CC1=C(F)C=CN=C1 15249 [2,0,0,0,0,0|2,0,0]=4 402 B8R1.5 CC1=C(F)C=NC=C1 9251 [2,0,0,0,0,0|2,0,0]=4 403 B8R1.5 CC1=C(I)C=CC=C1 9516 [2,0,0,0,0,0|1,0,0]=3 404 B8R1.5 CC1=C(N)C=CN=C1 1119 [2,0,0,0,0,0|2,0,0]=4 405 B8R1.5 CC1=C(N)C=NC=C1 1278 [2,0,0,0,0,0|2,0,0]=4 406 B8R1.5 CC1=C(O)C=NC=C1 15184 [2,0,0,0,0,0|1,0,1]=4 407 B8R1.5 CC1=C(S)C=CC=C1 6806 [2,0,0,0,0,0|0,1,0]=3 408 B8R1.5 CC1=CC=CC=C1N 20202 [2,0,0,0,0,0|1,0,0]=3 409 B8R1.5 CC1=CC=CC=C1O 15714 [2,0,0,0,0,0|0,0,1]=3 410 B8R1.5 CC1=CC=CN=C1Br 9208 [2,0,0,0,0,0|2,0,0]=4 411 B8R1.5 CC1=CC=CN=C1C 20520 [2,0,0,0,0,0|1,0,1]=4 412 B8R1.5 CC1=CC=CN=C1Cl 2074 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.5 CC1=CC=CN=C1F 3992 [2,0,0,0,0,0|2,0,0]=4 414 B8R1.5 CC1=CC=CN=C1I 14399 [2,0,0,0,0,0|2,0,0]=4 415 B8R1.5 CC1=CC=CN=C1N 1217 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.5 CC1=CC=CN=C1O 14401 [2,0,0,0,0,0|1,0,1]=4 417 B8R1.5 CC1=CC=CN=C1O 8871 [2,0,0,0,0,0|1,0,1]=4 418 B8R1.5 CC1=NC=CC=C1Br 1220 [2,0,0,0,0,0|2,0,0]=4 419 B8R1.5 CC1=NC=CC=C1Cl 14380 [2,0,0,0,0,0|2,0,0]=4 420 B8R1.5 CC1=NC=CC=C1F 14381 [2,0,0,0,0,0|2,0,0]=4 421 B8R1.5 CC1=NC=CC=C1I 14400 [2,0,0,0,0,0|2,0,0]=4 422 B8R1.5 CC1=NC=CC=C1N 2076 [2,0,0,0,0,0|2,0,0]=4 423 B8R1.5 CC1=NC=CC=C1O 6626 [2,0,0,0,0,0|1,0,1]=4 424 B8R1.5 CC1=[N+]([O-])C=CC=C1 14342 [2,0,0,0,0,0|1,0,1]=4 425 B8R1.5 CN1C=CC=CC1=O 25381 [2,0,0,0,0,0|1,0,0]=3 426 B8R1.5 C[N+]1=C(Cl)C=CC=C1 16659 [2,0,0,0,0,0|2,0,0]=4 427 B8R1.5 ClC1=C(Br)C=CC=C1 3582 [2,0,0,0,0,0|2,0,0]=4 428 B8R1.5 ClC1=C(Cl)C=CC=C1 16667 [2,0,0,0,0,0|2,0,0]=4 429 B8R1.5 ClC1=C(I)C=CC=C1 3646 [2,0,0,0,0,0|2,0,0]=4 430 B8R1.5 FC1=C(Br)C=CC=C1 3215 [2,0,0,0,0,0|2,0,0]=4 431 B8R1.5 FC1=C(Cl)C=CC=C1 3418 [2,0,0,0,0,0|2,0,0]=4 432 B8R1.5 FC1=C(F)C=CC=C1 2307 [2,0,0,0,0,0|2,0,0]=4 433 B8R1.5 FC1=C(I)C=CC=C1 3496 [2,0,0,0,0,0|2,0,0]=4 434 B8R1.5 FC1=C(S)C=CC=C1 5428 [2,0,0,0,0,0|1,1,0]=4 435 B8R1.5 IC1=C(I)C=CC=C1 3831 [2,0,0,0,0,0|2,0,0]=4 436 B8R1.5 NC1=C(Br)C=CC=C1 3722 [2,0,0,0,0,0|2,0,0]=4 437 B8R1.5 NC1=C(Cl)C=CC=C1 19107 [2,0,0,0,0,0|2,0,0]=4 438 B8R1.5 NC1=C(F)C=CC=C1 15382 [2,0,0,0,0,0|2,0,0]=4 439 B8R1.5 NC1=C(F)C=CC=C1 5245 [2,0,0,0,0,0|2,0,0]=4 440 B8R1.5 NC1=C(I)C=CC=C1 10573 [2,0,0,0,0,0|2,0,0]=4 441 B8R1.5 NC1=C(N)C=CC=C1 32376 [2,0,0,0,0,0|2,0,0]=4 442 B8R1.5 NC1=C(O)C=CN=C1 6679 [2,0,0,0,0,0|2,0,0]=4 443 B8R1.5 NC1=C(O)C=NC=C1 6654 [2,0,0,0,0,0|2,0,0]=4 444 B8R1.5 NC1=C(S)C=CC=C1 5424 [2,0,0,0,0,0|1,1,0]=4 445 B8R1.5 NC1=CC=CN=C1O 1263 [2,0,0,0,0,0|2,0,0]=4 446 B8R1.5 NC1=NC=CC=C1O 2574 [2,0,0,0,0,0|2,0,0]=4 447 B8R1.5 Nc1ccccc1N 23346 [2,0,0,0,0,0|2,0,0]=4 448 B8R1.5 O=C1C=COC=C1O 25209 [2,0,0,0,0,0|1,0,0]=3 449 B8R1.5 OC1=C(Br)C=CC=C1 3841 [2,0,0,0,0,0|1,0,0]=3 450 B8R1.5 OC1=C(Br)C=CN=C1 6661 [2,0,0,0,0,0|2,0,0]=4 451 B8R1.5 OC1=C(Br)C=NC=C1 6678 [2,0,0,0,0,0|2,0,0]=4 452 B8R1.5 OC1=C(Cl)C=CC=C1 12600 [2,0,0,0,0,0|1,0,0]=3 453 B8R1.5 OC1=C(Cl)C=CN=C1 6669 [2,0,0,0,0,0|2,0,0]=4 454 B8R1.5 OC1=C(Cl)C=NC=C1 6680 [2,0,0,0,0,0|2,0,0]=4 455 B8R1.5 OC1=C(F)C=CC=C1 2313 [2,0,0,0,0,0|1,0,0]=3 456 B8R1.5 OC1=C(I)C=CC=C1 3963 [2,0,0,0,0,0|1,0,0]=3 457 B8R1.5 OC1=C(S)C=CC=C1 6827 [2,0,0,0,0,0|0,1,0]=3 458 B8R1.5 OC1=CC=CN=C1Br 2572 [2,0,0,0,0,0|2,0,0]=4 459 B8R1.5 OC1=CC=CN=C1Cl 2577 [2,0,0,0,0,0|2,0,0]=4 460 B8R1.5 OC1=CC=CN=C1F 6290 [2,0,0,0,0,0|2,0,0]=4 461 B8R1.5 OC1=CC=CN=C1I 6571 [2,0,0,0,0,0|2,0,0]=4 462 B8R1.5 OC1=CC=CN=C1O 2580 [2,0,0,0,0,0|1,0,1]=4 463 B8R1.5 OC1=NC=CC=C1Br 1177 [2,0,0,0,0,0|2,0,0]=4 464 B8R1.5 OC1=NC=CC=C1Cl 6538 [2,0,0,0,0,0|2,0,0]=4 465 B8R1.5 OC1=NC=CC=C1F 1200 [2,0,0,0,0,0|2,0,0]=4 466 B8R1.5 OC1=NC=CC=C1I 6701 [2,0,0,0,0,0|2,0,0]=4 467 B8R1.5 SC1=C(Br)C=CC=C1 4009 [2,0,0,0,0,0|1,1,0]=4 468 B8R1.5 SC1=C(Cl)C=CC=C1 6776 [2,0,0,0,0,0|1,1,0]=4 469 B8R1.5 [O-][N+]1=CC=CC=C1O 26927 [2,0,0,0,0,0|1,0,1]=4 470 B10R1.2 CC1=C(Br)C=CN=C1C=O 27808 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.2 CC1=C(C#N)C=CC=C1Br 19931 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.2 CC1=C(C#N)C=CC=C1Cl 23847 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.2 CC1=C(C#N)C=CC=C1F 1556 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.2 CC1=C(C#N)C=CC=C1I 23173 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.2 CC1=C(C=O)C=CC=C1Br 30964 [1,1,0,0,0,0|0,0,0]=2 476 B10R1.2 CC1=C(C=O)C=CC=C1Cl 28399 [1,1,0,0,0,0|0,0,0]=2 477 B10R1.2 CC1=C(C=O)C=CC=C1F 1453 [1,1,0,0,0,0|0,0,0]=2 478 B10R1.2 CC1=C(C=O)C=CC=C1O 30949 [1,1,0,0,0,0|0,0,0]=2 479 B10R1.2 CC1=C(C=O)C=CN=C1Cl 33749 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.2 CC1=C(CBr)C=CC=C1Br 31382 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.2 CC1=C(CBr)C=CC=C1I 31386 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.2 CC1=C(CO)C=CC=C1Br 31381 [1,1,0,0,0,0|0,0,2]=4 483 B10R1.2 CC1=C(CO)C=CC=C1F 4925 [1,1,0,0,0,0|0,0,2]=4 484 B10R1.2 CC1=C(CO)C=CC=C1I 31385 [1,1,0,0,0,0|0,0,2]=4 485 B10R1.2 CC1=C(CO)C=CC=C1N 19790 [1,1,0,0,0,0|0,0,2]=4 486 B10R1.2 CC1=C(Cl)C=CN=C1C=O 33533 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.2 CC1=CC=CC(C#N)=C1C 8125 [1,1,0,0,0,0|1,0,1]=4 488 B10R1.2 CC1=CC=CC(C=O)=C1Br 30978 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.2 CC1=CC=CC(C=O)=C1C 3080 [1,1,0,0,0,0|0,0,0]=2 490 B10R1.2 CC1=CC=CC(C=O)=C1Cl 28398 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.2 CC1=CC=CC(C=O)=C1F 1450 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.2 CC1=CC=CC(C=O)=C1O 14264 [1,1,0,0,0,0|0,0,0]=2 493 B10R1.2 CC1=CC=CC(CBr)=C1C 27463 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.2 CC1=CC=CC(NN)=C1C 6398 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.2 CCC1=C(O)C(O)=CC=C1 33193 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.2 CCC1=CC=CC(Br)=C1O 33831 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.2 CCC1=CC=CC(Cl)=C1N 34625 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.2 CCC1=CC=CC(Cl)=C1O 27841 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.2 CCC1=CC=CC(O)=C1F 27791 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.2 COC1=C(Br)C(Br)=CC=C1 31145 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.2 COC1=C(Br)C(C)=CC=C1 31146 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.2 COC1=C(Br)C(F)=CC=C1 4125 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.2 COC1=C(C)C(Br)=CC=C1 31165 [1,1,0,0,0,0|0,0,1]=3 504 B10R1.2 COC1=C(C)C(C)=CC=C1 4114 [1,1,0,0,0,0|0,0,1]=3 505 B10R1.2 COC1=C(C)C(Cl)=CC=C1 2664 [1,1,0,0,0,0|0,0,1]=3 506 B10R1.2 COC1=C(Cl)C(Br)=CC=C1 31152 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.2 COC1=C(Cl)C(Cl)=CC=C1 3680 [1,1,0,0,0,0|1,0,0]=3 508 B10R1.2 COC1=C(Cl)C(F)=CC=C1 31158 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.2 COC1=C(F)C(Br)=CC=C1 4127 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.2 COC1=C(F)C(Cl)=CC=C1 31153 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.2 COC1=C(F)C(Cl)=CC=C1 8445 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.2 COC1=C(I)C(F)=CC=C1 4119 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.2 COC1=C(I)C(N)=CC=C1 28346 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.2 COC1=C(I)C(N)=NC=C1 26695 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.2 COC1=CC=CC(Br)=C1N 31031 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.2 COC1=CC=CC(Br)=C1O 33838 [1,1,0,0,0,0|0,0,1]=3 517 B10R1.2 COC1=CC=CC(Cl)=C1N 31032 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.2 COC1=CC=CC(Cl)=C1O 28111 [1,1,0,0,0,0|0,0,1]=3 519 B10R1.2 COC1=CC=CC(F)=C1F 1969 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.2 COC1=CC=CC(F)=C1N 8485 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.2 COC1=CC=CC(F)=C1O 3878 [1,1,0,0,0,0|0,0,1]=3 522 B10R1.2 COC1=CC=CC(I)=C1Br 27634 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.2 COC1=CC=CC(I)=C1C 33420 [1,1,0,0,0,0|0,0,1]=3 524 B10R1.2 COC1=CC=CC(N)=C1Br 15644 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.2 COC1=CC=CC(N)=C1C 15040 [1,1,0,0,0,0|0,0,1]=3 526 B10R1.2 COC1=CC=CC(N)=C1C 19248 [1,1,0,0,0,0|0,0,1]=3 527 B10R1.2 COC1=CC=CC(N)=C1Cl 19249 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.2 COC1=CC=CC(N)=C1Cl 19250 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.2 COC1=CC=CC(N)=C1F 15807 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.2 COC1=CC=CC(N)=C1O 33268 [1,1,0,0,0,0|0,0,1]=3 531 B10R1.2 COC1=CC=CC(O)=C1Br 34186 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.2 COC1=CC=CC(O)=C1Cl 33442 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.2 COC1=CC=CC(O)=C1F 27943 [1,1,0,0,0,0|1,0,0]=3 534 B10R1.2 COC1=NC=CC(C)=C1Br 6583 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.2 COC1=NC=CC(C)=C1N 6582 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.2 COc1ccc[n+]([O-])c1Br 5949 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 10673 [1,1,0,0,0,0|0,1,1]=4 538 B10R1.2 N#CC1=C(O)C(Br)=CC=C1 30801 [1,1,0,0,0,0|1,0,1]=4 539 B10R1.2 N#CC1=C(O)C(Cl)=CC=C1 27384 [1,1,0,0,0,0|1,0,1]=4 540 B10R1.2 N#CC1=C(O)C(F)=CC=C1 33421 [1,1,0,0,0,0|1,0,1]=4 541 B10R1.2 N#CC1=C(O)C(N)=CC=C1 28119 [1,1,0,0,0,0|1,0,1]=4 542 B10R1.2 N#CC1=C(O)C(O)=CC=C1 28105 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.2 O=CC1=C(Br)C(Br)=CC=C1 29209 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.2 O=CC1=C(Br)C(Cl)=CC=C1 27512 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.2 O=CC1=C(Br)C(F)=CC=C1 1417 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.2 O=CC1=C(Br)C(O)=CC=C1 20855 [1,1,0,0,0,0|1,0,0]=3 547 B10R1.2 O=CC1=C(Cl)C(Cl)=CC=C1 3079 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.2 O=CC1=C(Cl)C(Cl)=NC=C1 17122 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.2 O=CC1=C(Cl)C(F)=CC=C1 1432 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.2 O=CC1=C(F)C(Br)=CC=C1 22500 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.2 O=CC1=C(F)C(Cl)=CC=C1 1408 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.2 O=CC1=C(F)C(Cl)=NC=C1 5088 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.2 O=CC1=C(F)C(F)=CC=C1 1436 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.2 O=CC1=C(F)C(O)=CC=C1 27364 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.2 O=CC1=C(I)C(F)=CC=C1 1439 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.2 O=CC1=C(O)C(Br)=CC=C1 17016 [1,1,0,0,0,0|0,0,0]=2 557 B10R1.2 O=CC1=C(O)C(Cl)=CC=C1 13405 [1,1,0,0,0,0|0,0,0]=2 558 B10R1.2 O=CC1=C(O)C(Cl)=NC=C1 33694 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.2 O=CC1=C(O)C(F)=CC=C1 4215 [1,1,0,0,0,0|0,0,0]=2 560 B10R1.2 O=CC1=C(O)C(I)=CC=C1 33715 [1,1,0,0,0,0|0,0,0]=2 561 B10R1.2 O=CC1=C(O)C(O)=CC=C1 6561 [1,1,0,0,0,0|0,0,0]=2 562 B10R1.2 O=CC1=CN=CC(Br)=C1Cl 34832 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.4 BrCCC1=C(Br)C=CC=C1 16179 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.4 CC1=C(CC#N)C=CC=C1 32359 [1,1,0,0,0,0|1,0,1]=4 565 B10R1.4 CC1=C(N=C=S)C=CC=C1 10740 [1,1,0,0,0,0|0,1,1]=4 566 B10R1.4 CCCC1=C(N)C=CC=C1 13695 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.4 CCOC1=C(Br)C=CC=C1 3136 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.4 CCOC1=C(Br)C=CN=C1 6659 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.4 CCOC1=C(Br)C=NC=C1 34353 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.4 CCOC1=C(C)C=CC=C1 3179 [1,1,0,0,0,0|0,0,1]=3 571 B10R1.4 CCOC1=C(Cl)C=CC=C1 3158 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.4 CCOC1=C(Cl)C=CN=C1 6666 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.4 CCOC1=C(F)C=CC=C1 3173 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.4 CCOC1=C(N)C=CN=C1 27756 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.4 CCOC1=C(N)C=NC=C1 9610 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.4 CCOC1=C(O)C=CC=C1 9505 [1,1,0,0,0,0|0,0,1]=3 577 B10R1.4 CCOC1=C(S)C=CC=C1 10527 [1,1,0,0,0,0|0,1,0]=3 578 B10R1.4 CCOC1=CC=CN=C1Br 5890 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.4 CCOC1=CC=CN=C1C 34423 [1,1,0,0,0,0|1,0,1]=4 580 B10R1.4 CCOC1=CC=CN=C1N 5585 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.4 CCOC1=NC=CC=C1Br 6233 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.4 CCOC1=NC=CC=C1I 9248 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.4 CCSC1=C(Br)C=CC=C1 10531 [1,1,0,0,0,0|1,1,0]=4 584 B10R1.4 COCC1=C(Br)C=CC=C1 34659 [1,1,0,0,0,0|1,0,0]=3 585 B10R1.4 ClC1=C(CCBr)C=CC=C1 31587 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.4 NC1=C(CCO)C=CC=C1 12462 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.4 NCCC1=C(Br)C=CC=C1 22238 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.4 NCCC1=C(F)C=CC=C1 27340 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.4 NCCC1=C(O)C=CC=C1 16394 [1,1,0,0,0,0|1,0,1]=4 590 B10R1.4 N\N=C\C1=CC=CC=C1O 22926 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.4 Nc1ccccc1CCO 22282 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.4 O=C=NC1=C(F)C=CC=C1 4455 [1,1,0,0,0,0|1,0,1]=4 593 B10R1.4 OCCC1=C(Br)C=CC=C1 16178 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.4 OCCC1=C(O)C=CC=C1 31971 [1,1,0,0,0,0|0,0,2]=4 595 B10R1.4 O\N=C\C1=C(Br)C=CC=C1 3731 [1,1,0,0,0,0|1,0,1]=4 596 B10R1.4 O\N=C\C1=C(F)C=CC=C1 28431 [1,1,0,0,0,0|1,0,1]=4 597 B10R1.25 CC1=C(C#N)C=CC(Br)=C1 4721 [1,1,0,0,0,0|1,0,1]=4 598 B10R1.25 CC1=C(C#N)C=CC(Cl)=C1 12503 [1,1,0,0,0,0|1,0,1]=4 599 B10R1.25 CC1=C(C#N)C=CC(F)=C1 1554 [1,1,0,0,0,0|1,0,1]=4 600 B10R1.25 CC1=C(C#N)C=CC(N)=C1 25751 [1,1,0,0,0,0|1,0,1]=4 601 B10R1.25 CC1=C(C#N)C=CC(O)=C1 27578 [1,1,0,0,0,0|1,0,1]=4 602 B10R1.25 CC1=C(C=O)C=CC(Br)=C1 25414 [1,1,0,0,0,0|0,0,0]=2 603 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 34417 [1,1,0,0,0,0|1,0,0]=3 604 B10R1.25 CC1=C(C=O)C=CC(Cl)=C1 23457 [1,1,0,0,0,0|0,0,0]=2 605 B10R1.25 CC1=C(C=O)C=CC(F)=C1 1456 [1,1,0,0,0,0|0,0,0]=2 606 B10R1.25 CC1=C(C=O)C=CC(F)=N1 17087 [1,1,0,0,0,0|1,0,0]=3 607 B10R1.25 CC1=C(C=O)C=CC(O)=C1 3910 [1,1,0,0,0,0|0,0,0]=2 608 B10R1.25 CC1=C(CN)C=CC(Br)=C1 19930 [1,1,0,0,0,0|1,0,1]=4 609 B10R1.25 CC1=C(CN)C=CC(O)=C1 27617 [1,1,0,0,0,0|1,0,1]=4 610 B10R1.25 CC1=C(CO)C=CC(Br)=C1 27441 [1,1,0,0,0,0|0,0,2]=4 611 B10R1.25 CC1=CC(C)=C(C=O)C=C1 3070 [1,1,0,0,0,0|0,0,0]=2 612 B10R1.25 CC1=CC(C)=C(CO)C=C1 35348 [1,1,0,0,0,0|0,0,2]=4 613 B10R1.25 CC1=CC(C)=C(NN)C=C1 6399 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.25 CC1=CC(Cl)=C(C=O)C=C1 17007 [1,1,0,0,0,0|1,0,0]=3 615 B10R1.25 CC1=CC(F)=C(C=O)C=C1 1451 [1,1,0,0,0,0|1,0,0]=3 616 B10R1.25 CC1=CC(O)=C(C#N)C=C1 30774 [1,1,0,0,0,0|1,0,1]=4 617 B10R1.25 CC1=CC=C(C=O)C(C)=N1 13948 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.25 CC1=CC=C(C=O)C(O)=C1 8154 [1,1,0,0,0,0|0,0,0]=2 619 B10R1.25 CC1=NC(Cl)=CC=C1C=O 35550 [1,1,0,0,0,0|1,0,0]=3 620 B10R1.25 CCC1=C(Br)C=C(N)C=C1 27787 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 27794 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.25 CNC1=C(F)C=C(F)C=C1 10041 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.25 CNC1=CC=C(Br)C=C1N 34299 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.25 COC1=C(Br)C=C(Br)C=C1 3847 [1,1,0,0,0,0|1,0,0]=3 625 B10R1.25 COC1=C(Br)C=C(C)C=C1 3797 [1,1,0,0,0,0|1,0,0]=3 626 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 2629 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.25 COC1=C(Br)C=C(F)C=C1 1972 [1,1,0,0,0,0|1,0,0]=3 628 B10R1.25 COC1=C(Br)C=C(N)C=C1 16856 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.25 COC1=C(Br)C=C(O)C=C1 31091 [1,1,0,0,0,0|1,0,0]=3 630 B10R1.25 COC1=C(Br)C=C(O)C=N1 34282 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.25 COC1=C(C)C=C(Br)C=C1 3798 [1,1,0,0,0,0|0,0,1]=3 632 B10R1.25 COC1=C(C)C=C(C)C=C1 5359 [1,1,0,0,0,0|0,0,1]=3 633 B10R1.25 COC1=C(C)C=C(Cl)C=C1 2665 [1,1,0,0,0,0|0,0,1]=3 634 B10R1.25 COC1=C(C)C=C(F)C=C1 2622 [1,1,0,0,0,0|0,0,1]=3 635 B10R1.25 COC1=C(C)C=C(N)C=C1 15790 [1,1,0,0,0,0|0,0,1]=3 636 B10R1.25 COC1=C(C)C=C(O)C=C1 33186 [1,1,0,0,0,0|0,0,1]=3 637 B10R1.25 COC1=C(Cl)C=C(Br)C=C1 2630 [1,1,0,0,0,0|1,0,0]=3 638 B10R1.25 COC1=C(Cl)C=C(C)C=C1 27687 [1,1,0,0,0,0|1,0,0]=3 639 B10R1.25 COC1=C(Cl)C=C(F)C=C1 2658 [1,1,0,0,0,0|1,0,0]=3 640 B10R1.25 COC1=C(Cl)C=C(N)C=C1 17270 [1,1,0,0,0,0|1,0,0]=3 641 B10R1.25 COC1=C(Cl)C=C(O)C=C1 33443 [1,1,0,0,0,0|1,0,0]=3 642 B10R1.25 COC1=C(Cl)N=C(N)C=C1 22126 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.25 COC1=C(F)C=C(Br)C=C1 1971 [1,1,0,0,0,0|1,0,0]=3 644 B10R1.25 COC1=C(F)C=C(C)C=C1 24850 [1,1,0,0,0,0|1,0,0]=3 645 B10R1.25 COC1=C(F)C=C(Cl)C=C1 2662 [1,1,0,0,0,0|1,0,0]=3 646 B10R1.25 COC1=C(F)C=C(F)C=C1 3455 [1,1,0,0,0,0|1,0,0]=3 647 B10R1.25 COC1=C(F)C=C(N)C=C1 2125 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.25 COC1=C(F)C=C(O)C=C1 2369 [1,1,0,0,0,0|1,0,0]=3 649 B10R1.25 COC1=C(F)C=C(S)C=C1 6875 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.25 COC1=C(I)C=C(Cl)C=C1 14310 [1,1,0,0,0,0|1,0,0]=3 651 B10R1.25 COC1=C(I)C=C(N)C=C1 3307 [1,1,0,0,0,0|1,0,0]=3 652 B10R1.25 COC1=C(I)C=C(N)C=C1 3310 [1,1,0,0,0,0|1,0,0]=3 653 B10R1.25 COC1=C(N)C=C(F)C=C1 2256 [1,1,0,0,0,0|1,0,0]=3 654 B10R1.25 COC1=C(N)C=C(I)C=C1 28345 [1,1,0,0,0,0|1,0,0]=3 655 B10R1.25 COC1=C(N)C=C(N)C=C1 1905 [1,1,0,0,0,0|1,0,0]=3 656 B10R1.25 COC1=C(N)C=C(N)C=C1 24784 [1,1,0,0,0,0|1,0,0]=3 657 B10R1.25 COC1=C(N)C=C(N)C=C1 4107 [1,1,0,0,0,0|1,0,0]=3 658 B10R1.25 COC1=C(O)C=C(Br)C=C1 26431 [1,1,0,0,0,0|0,0,1]=3 659 B10R1.25 COC1=C(O)C=C(C)C=C1 31088 [1,1,0,0,0,0|0,0,1]=3 660 B10R1.25 COC1=C(O)C=C(F)C=C1 3882 [1,1,0,0,0,0|0,0,1]=3 661 B10R1.25 COC1=C(O)C=C(N)C=C1 3112 [1,1,0,0,0,0|0,0,1]=3 662 B10R1.25 COC1=CC=C(N)N=C1C 6638 [1,1,0,0,0,0|1,0,1]=4 663 B10R1.25 COC1=NC=C(Br)C=C1Br 6581 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.25 COC1=NC=C(Br)C=C1C 22058 [1,1,0,0,0,0|1,0,1]=4 665 B10R1.25 COC1=NC=C(Br)C=C1Cl 1164 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.25 COC1=NC=C(Br)C=C1F 10468 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.25 COC1=NC=C(Br)C=C1I 8079 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.25 COC1=NC=C(Br)C=C1N 17164 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.25 COC1=NC=C(C)C=C1I 26966 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.25 COC1=NC=C(Cl)C=C1Br 6584 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.25 COC1=NC=C(Cl)C=C1O 26938 [1,1,0,0,0,0|1,0,1]=4 672 B10R1.25 COC1=NC=C(F)C=C1Br 1175 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.25 COC1=NC=C(F)C=C1C 6603 [1,1,0,0,0,0|1,0,1]=4 674 B10R1.25 COC1=NC=C(F)C=C1O 15267 [1,1,0,0,0,0|1,0,1]=4 675 B10R1.25 COC1=NC=C(N)C=C1Br 1147 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.25 COC1=NC=C(N)C=C1C 1268 [1,1,0,0,0,0|1,0,1]=4 677 B10R1.25 COc1ccc(Cl)cc1O 31127 [1,1,0,0,0,0|0,0,1]=3 678 B10R1.25 CSC1=C(C)C=C(O)C=C1 10656 [1,1,0,0,0,0|0,1,1]=4 679 B10R1.25 CSC1=C(F)C=C(F)C=C1 10719 [1,1,0,0,0,0|1,1,0]=4 680 B10R1.25 N#CC1=C(O)C=C(Br)C=C1 3781 [1,1,0,0,0,0|1,0,1]=4 681 B10R1.25 N#CC1=C(O)C=C(Cl)C=C1 28727 [1,1,0,0,0,0|1,0,1]=4 682 B10R1.25 N#CC1=C(O)C=C(F)C=C1 26276 [1,1,0,0,0,0|1,0,1]=4 683 B10R1.25 N#CC1=C(O)C=C(N)C=C1 27615 [1,1,0,0,0,0|1,0,1]=4 684 B10R1.25 N#CC1=C(O)C=C(O)C=C1 13114 [1,1,0,0,0,0|1,0,1]=4 685 B10R1.25 NC1=C(C=O)C=CC(F)=C1 27192 [1,1,0,0,0,0|1,0,0]=3 686 B10R1.25 NC1=C(C=O)C=NC(Cl)=C1 22052 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.25 NC1=CC(I)=C(C=O)C=C1 16530 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.25 NC1=NC=C(C=O)C(Cl)=C1 23578 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.25 O=CC1=C(Br)C=C(Br)C=C1 28404 [1,1,0,0,0,0|1,0,0]=3 690 B10R1.25 O=CC1=C(Br)C=C(Cl)C=C1 16872 [1,1,0,0,0,0|1,0,0]=3 691 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 2877 [1,1,0,0,0,0|1,0,0]=3 692 B10R1.25 O=CC1=C(Br)C=C(I)C=C1 30961 [1,1,0,0,0,0|1,0,0]=3 693 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 28099 [1,1,0,0,0,0|1,0,0]=3 694 B10R1.25 O=CC1=C(Br)N=C(Br)C=C1 27605 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.25 O=CC1=C(Cl)C=C(Br)C=C1 24612 [1,1,0,0,0,0|1,0,0]=3 696 B10R1.25 O=CC1=C(Cl)C=C(F)C=C1 1433 [1,1,0,0,0,0|1,0,0]=3 697 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 7366 [1,1,0,0,0,0|1,0,0]=3 698 B10R1.25 O=CC1=C(F)C=C(Br)C=C1 1421 [1,1,0,0,0,0|1,0,0]=3 699 B10R1.25 O=CC1=C(F)C=C(Cl)C=C1 1435 [1,1,0,0,0,0|1,0,0]=3 700 B10R1.25 O=CC1=C(F)C=C(F)C=C1 2903 [1,1,0,0,0,0|1,0,0]=3 701 B10R1.25 O=CC1=C(F)C=C(I)C=C1 4219 [1,1,0,0,0,0|1,0,0]=3 702 B10R1.25 O=CC1=C(F)C=C(O)C=C1 1442 [1,1,0,0,0,0|1,0,0]=3 703 B10R1.25 O=CC1=C(I)C=C(Cl)C=C1 22996 [1,1,0,0,0,0|1,0,0]=3 704 B10R1.25 O=CC1=C(I)C=C(F)C=C1 22995 [1,1,0,0,0,0|1,0,0]=3 705 B10R1.25 O=CC1=C(I)C=C(O)C=C1 28098 [1,1,0,0,0,0|1,0,0]=3 706 B10R1.25 O=CC1=C(O)C=C(Br)C=C1 16944 [1,1,0,0,0,0|0,0,0]=2 707 B10R1.25 O=CC1=C(O)C=C(Cl)C=C1 22142 [1,1,0,0,0,0|0,0,0]=2 708 B10R1.25 O=CC1=C(O)C=C(F)C=C1 8483 [1,1,0,0,0,0|0,0,0]=2 709 B10R1.25 O=CC1=C(O)C=C(O)C=C1 8218 [1,1,0,0,0,0|0,0,0]=2 710 B10R1.25 O=CC1=CC=C(Cl)N=C1Cl 5103 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.25 O=CC1=CC=C(F)N=C1F 18894 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.25 O=CC1=CN=C(Br)C=C1O 24436 [1,1,0,0,0,0|1,0,0]=3 713 B10R1.25 O=CC1=NC=C(Br)C=C1F 36116 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.25 OCC1=C(O)C=C(Br)C=C1 15237 [1,1,0,0,0,0|0,0,2]=4 715 B10R1.30 C=CC1=C(Br)C=CC(F)=C1 16646 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.30 CC1=C(C#N)C=C(Br)C=C1 30796 [1,1,0,0,0,0|1,0,1]=4 717 B10R1.30 CC1=C(C#N)C=C(Cl)C=C1 12504 [1,1,0,0,0,0|1,0,1]=4 718 B10R1.30 CC1=C(C#N)C=C(F)C=C1 1551 [1,1,0,0,0,0|1,0,1]=4 719 B10R1.30 CC1=C(C#N)C=C(N)C=C1 28708 [1,1,0,0,0,0|1,0,1]=4 720 B10R1.30 CC1=C(C#N)C=C(O)C=C1 33444 [1,1,0,0,0,0|1,0,1]=4 721 B10R1.30 CC1=C(C=O)C=C(Br)C=C1 10353 [1,1,0,0,0,0|0,0,0]=2 722 B10R1.30 CC1=C(C=O)C=C(Cl)C=C1 33750 [1,1,0,0,0,0|0,0,0]=2 723 B10R1.30 CC1=C(C=O)C=C(F)C=C1 1458 [1,1,0,0,0,0|0,0,0]=2 724 B10R1.30 CC1=C(C=O)C=C(I)C=C1 26001 [1,1,0,0,0,0|0,0,0]=2 725 B10R1.30 CC1=C(C=O)C=C(O)C=C1 30957 [1,1,0,0,0,0|0,0,0]=2 726 B10R1.30 CC1=C(CBr)C=C(F)C=C1 4927 [1,1,0,0,0,0|1,0,1]=4 727 B10R1.30 CC1=C(CBr)C=C(I)C=C1 13831 [1,1,0,0,0,0|1,0,1]=4 728 B10R1.30 CC1=C(CCl)C=C(F)C=C1 4926 [1,1,0,0,0,0|1,0,1]=4 729 B10R1.30 CC1=C(CO)C=C(Br)C=C1 44861 [1,1,0,0,0,0|0,0,2]=4 730 B10R1.30 CC1=C(NN)C=C(F)C=C1 1087 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.30 CC1=CC(C#N)=C(O)C=C1 27632 [1,1,0,0,0,0|1,0,1]=4 732 B10R1.30 CC1=CC(C=O)=C(Br)C=C1 16748 [1,1,0,0,0,0|1,0,0]=3 733 B10R1.30 CC1=CC(C=O)=C(F)C=C1 1452 [1,1,0,0,0,0|1,0,0]=3 734 B10R1.30 CC1=CC(C=O)=C(F)N=C1 17125 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.30 CC1=CC(C=O)=C(N)N=C1 27245 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.30 CC1=CC(CBr)=C(C)C=C1 31376 [1,1,0,0,0,0|1,0,1]=4 737 B10R1.30 CC1=CC(CN)=C(C)C=C1 7405 [1,1,0,0,0,0|1,0,1]=4 738 B10R1.30 CC1=CC(NN)=C(C)C=C1 6400 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.30 CC1=CC=C(Cl)N=C1C=O 26730 [1,1,0,0,0,0|1,0,0]=3 740 B10R1.30 CC1=CC=C(O)C(C=O)=C1 15680 [1,1,0,0,0,0|0,0,0]=2 741 B10R1.30 CC1=CC=C(O)C(C=O)=N1 33531 [1,1,0,0,0,0|1,0,0]=3 742 B10R1.30 CCC1=C(Cl)C=CC(O)=C1 2213 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.30 CCC1=C(F)C=CC(O)=C1 27790 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.30 CCC1=C(I)C=CC(Br)=C1 3773 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.30 CCC1=C(N)C=CC(Br)=C1 23174 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.30 CCC1=C(N)C=CC(Br)=C1 3769 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.30 CNC1=C(O)C=CC(N)=C1 20872 [1,1,0,0,0,0|1,0,1]=4 748 B10R1.30 CNC1=CC(Br)=CC=C1N 18337 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.30 COC1=C(Br)C=CC(Br)=C1 5357 [1,1,0,0,0,0|1,0,0]=3 750 B10R1.30 COC1=C(Br)C=CC(C)=C1 4136 [1,1,0,0,0,0|1,0,0]=3 751 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 5265 [1,1,0,0,0,0|1,0,0]=3 752 B10R1.30 COC1=C(Br)C=CC(F)=C1 4091 [1,1,0,0,0,0|1,0,0]=3 753 B10R1.30 COC1=C(Br)C=CC(I)=C1 5333 [1,1,0,0,0,0|1,0,0]=3 754 B10R1.30 COC1=C(Br)C=CC(N)=C1 3794 [1,1,0,0,0,0|1,0,0]=3 755 B10R1.30 COC1=C(Br)C=CC(O)=C1 13260 [1,1,0,0,0,0|1,0,0]=3 756 B10R1.30 COC1=C(C)C=CC(Br)=C1 25292 [1,1,0,0,0,0|0,0,1]=3 757 B10R1.30 COC1=C(C)C=CC(C)=C1 5360 [1,1,0,0,0,0|0,0,1]=3 758 B10R1.30 COC1=C(C)C=CC(Cl)=C1 2667 [1,1,0,0,0,0|0,0,1]=3 759 B10R1.30 COC1=C(C)C=CC(F)=C1 2624 [1,1,0,0,0,0|0,0,1]=3 760 B10R1.30 COC1=C(C)C=CC(N)=C1 3329 [1,1,0,0,0,0|0,0,1]=3 761 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 2632 [1,1,0,0,0,0|1,0,0]=3 762 B10R1.30 COC1=C(Cl)C=CC(C)=C1 5299 [1,1,0,0,0,0|1,0,0]=3 763 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 3681 [1,1,0,0,0,0|1,0,0]=3 764 B10R1.30 COC1=C(Cl)C=CC(F)=C1 2659 [1,1,0,0,0,0|1,0,0]=3 765 B10R1.30 COC1=C(Cl)C=CC(I)=C1 5289 [1,1,0,0,0,0|1,0,0]=3 766 B10R1.30 COC1=C(Cl)C=CC(N)=C1 3659 [1,1,0,0,0,0|1,0,0]=3 767 B10R1.30 COC1=C(Cl)C=CC(O)=C1 28110 [1,1,0,0,0,0|1,0,0]=3 768 B10R1.30 COC1=C(Cl)N=CC(N)=C1 22114 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.30 COC1=C(F)C=CC(Br)=C1 18513 [1,1,0,0,0,0|1,0,0]=3 770 B10R1.30 COC1=C(F)C=CC(C)=C1 8487 [1,1,0,0,0,0|1,0,0]=3 771 B10R1.30 COC1=C(F)C=CC(F)=C1 3456 [1,1,0,0,0,0|1,0,0]=3 772 B10R1.30 COC1=C(F)C=CC(N)=C1 14566 [1,1,0,0,0,0|1,0,0]=3 773 B10R1.30 COC1=C(F)C=CC(N)=C1 3022 [1,1,0,0,0,0|1,0,0]=3 774 B10R1.30 COC1=C(F)C=CC(O)=C1 14358 [1,1,0,0,0,0|1,0,0]=3 775 B10R1.30 COC1=C(I)C=CC(Br)=C1 28357 [1,1,0,0,0,0|1,0,0]=3 776 B10R1.30 COC1=C(I)C=CC(Cl)=C1 5293 [1,1,0,0,0,0|1,0,0]=3 777 B10R1.30 COC1=C(I)C=CC(I)=C1 28130 [1,1,0,0,0,0|1,0,0]=3 778 B10R1.30 COC1=C(I)C=CC(N)=C1 5352 [1,1,0,0,0,0|1,0,0]=3 779 B10R1.30 COC1=C(N)C=CC(Br)=C1 2258 [1,1,0,0,0,0|1,0,0]=3 780 B10R1.30 COC1=C(N)C=CC(F)=C1 28343 [1,1,0,0,0,0|1,0,0]=3 781 B10R1.30 COC1=C(N)C=CC(I)=C1 25591 [1,1,0,0,0,0|1,0,0]=3 782 B10R1.30 COC1=C(N)C=CC(O)=C1 18733 [1,1,0,0,0,0|1,0,0]=3 783 B10R1.30 COC1=C(N)C=CC(O)=C1 26950 [1,1,0,0,0,0|1,0,0]=3 784 B10R1.30 COC1=C(O)C=CC(Br)=C1 17271 [1,1,0,0,0,0|0,0,1]=3 785 B10R1.30 COC1=C(O)C=CC(Cl)=C1 3665 [1,1,0,0,0,0|0,0,1]=3 786 B10R1.30 COC1=C(O)C=CC(F)=C1 3880 [1,1,0,0,0,0|0,0,1]=3 787 B10R1.30 COC1=C(O)C=CC(I)=C1 17587 [1,1,0,0,0,0|0,0,1]=3 788 B10R1.30 COC1=C(O)C=CC(N)=C1 14144 [1,1,0,0,0,0|0,0,1]=3 789 B10R1.30 COC1=C(O)C=CC(N)=C1 33372 [1,1,0,0,0,0|0,0,1]=3 790 B10R1.30 COC1=CC(Br)=CN=C1Cl 35568 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.30 COC1=CC(Br)=CN=C1I 26836 [1,1,0,0,0,0|2,0,0]=4 792 B10R1.30 COC1=CC(Cl)=CN=C1Br 5915 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.30 COC1=CC(I)=CN=C1Br 28124 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.30 COC1=CC(I)=CN=C1I 28122 [1,1,0,0,0,0|2,0,0]=4 795 B10R1.30 COC1=NC(Br)=CC=C1N 21956 [1,1,0,0,0,0|2,0,0]=4 796 B10R1.30 COC1=NC(C)=CC=C1Br 8122 [1,1,0,0,0,0|2,0,0]=4 797 B10R1.30 COC1=NC(C)=CC=C1F 6585 [1,1,0,0,0,0|2,0,0]=4 798 B10R1.30 COC1=NC(C)=CC=C1N 1266 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.30 N#CC1=C(O)C=CC(Br)=C1 3782 [1,1,0,0,0,0|1,0,1]=4 800 B10R1.30 N#CC1=C(O)C=CC(Cl)=C1 33422 [1,1,0,0,0,0|1,0,1]=4 801 B10R1.30 N#CC1=C(O)C=CC(I)=C1 20368 [1,1,0,0,0,0|1,0,1]=4 802 B10R1.30 NC1=C(C=O)C=C(Br)C=C1 19693 [1,1,0,0,0,0|1,0,0]=3 803 B10R1.30 NC1=C(C=O)C=C(Cl)C=C1 16498 [1,1,0,0,0,0|1,0,0]=3 804 B10R1.30 NC1=C(C=O)C=C(Cl)C=C1 16499 [1,1,0,0,0,0|1,0,0]=3 805 B10R1.30 NC1=C(C=O)C=C(Cl)C=C1 7364 [1,1,0,0,0,0|1,0,0]=3 806 B10R1.30 NC1=C(C=O)C=C(Cl)C=N1 19530 [1,1,0,0,0,0|2,0,0]=4 807 B10R1.30 NC1=NC=C(I)C=C1C=O 26814 [1,1,0,0,0,0|2,0,0]=4 808 B10R1.30 O=CC1=C(Br)C=CC(Br)=C1 30882 [1,1,0,0,0,0|1,0,0]=3 809 B10R1.30 O=CC1=C(Br)C=CC(Cl)=C1 19849 [1,1,0,0,0,0|1,0,0]=3 810 B10R1.30 O=CC1=C(Br)C=CC(F)=C1 1418 [1,1,0,0,0,0|1,0,0]=3 811 B10R1.30 O=CC1=C(Br)C=CC(I)=C1 30930 [1,1,0,0,0,0|1,0,0]=3 812 B10R1.30 O=CC1=C(Br)C=CC(O)=C1 14430 [1,1,0,0,0,0|1,0,0]=3 813 B10R1.30 O=CC1=C(Cl)C=CC(Br)=C1 10373 [1,1,0,0,0,0|1,0,0]=3 814 B10R1.30 O=CC1=C(Cl)C=CC(Cl)=C1 3081 [1,1,0,0,0,0|1,0,0]=3 815 B10R1.30 O=CC1=C(Cl)C=CC(F)=C1 1410 [1,1,0,0,0,0|1,0,0]=3 816 B10R1.30 O=CC1=C(Cl)C=CC(O)=C1 30918 [1,1,0,0,0,0|1,0,0]=3 817 B10R1.30 O=CC1=C(Cl)N=CC(Br)=C1 26433 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.30 O=CC1=C(Cl)N=CC(Cl)=C1 17151 [1,1,0,0,0,0|2,0,0]=4 819 B10R1.30 O=CC1=C(Cl)N=CC(F)=C1 17053 [1,1,0,0,0,0|2,0,0]=4 820 B10R1.30 O=CC1=C(F)C=CC(Br)=C1 2879 [1,1,0,0,0,0|1,0,0]=3 821 B10R1.30 O=CC1=C(F)C=CC(Cl)=C1 1411 [1,1,0,0,0,0|1,0,0]=3 822 B10R1.30 O=CC1=C(F)C=CC(Cl)=N1 15230 [1,1,0,0,0,0|2,0,0]=4 823 B10R1.30 O=CC1=C(F)C=CC(F)=C1 1437 [1,1,0,0,0,0|1,0,0]=3 824 B10R1.30 O=CC1=C(F)C=CC(I)=C1 4222 [1,1,0,0,0,0|1,0,0]=3 825 B10R1.30 O=CC1=C(F)C=CC(O)=C1 16486 [1,1,0,0,0,0|1,0,0]=3 826 B10R1.30 O=CC1=C(F)N=CC(Br)=C1 17162 [1,1,0,0,0,0|2,0,0]=4 827 B10R1.30 O=CC1=C(F)N=CC(Cl)=C1 10594 [1,1,0,0,0,0|2,0,0]=4 828 B10R1.30 O=CC1=C(I)C=CC(Br)=C1 17023 [1,1,0,0,0,0|1,0,0]=3 829 B10R1.30 O=CC1=C(I)C=CC(Cl)=C1 22997 [1,1,0,0,0,0|1,0,0]=3 830 B10R1.30 O=CC1=C(I)C=CC(F)=C1 1441 [1,1,0,0,0,0|1,0,0]=3 831 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 3779 [1,1,0,0,0,0|0,0,0]=2 832 B10R1.30 O=CC1=C(O)C=CC(F)=C1 1444 [1,1,0,0,0,0|0,0,0]=2 833 B10R1.30 O=CC1=C(O)C=CC(I)=C1 22695 [1,1,0,0,0,0|0,0,0]=2 834 B10R1.30 O=CC1=C(O)C=CC(O)=C1 2285 [1,1,0,0,0,0|0,0,0]=2 835 B10R1.30 O=CC1=CC(Br)=NC=C1Br 34567 [1,1,0,0,0,0|2,0,0]=4 836 B10R1.30 O=CC1=CC(Br)=NC=C1Cl 34447 [1,1,0,0,0,0|2,0,0]=4 837 B10R1.30 O=CC1=CC(Cl)=CC=C1O 8203 [1,1,0,0,0,0|0,0,0]=2 838 B10R1.30 O=CC1=CC(Cl)=NC=C1Br 33761 [1,1,0,0,0,0|2,0,0]=4 839 B10R1.30 O=CC1=CC(Cl)=NC=C1Cl 13556 [1,1,0,0,0,0|2,0,0]=4 840 B10R1.30 O=CC1=CC(Cl)=NC=C1F 15227 [1,1,0,0,0,0|2,0,0]=4 841 B10R1.30 O=CC1=CC(Cl)=NC=C1O 23615 [1,1,0,0,0,0|1,0,0]=3 842 B10R1.30 O=CC1=NC(Br)=CC=C1F 16798 [1,1,0,0,0,0|2,0,0]=4 843 B10R1.30 O=CC1=NC(Cl)=CC=C1Br 33668 [1,1,0,0,0,0|2,0,0]=4 844 B10R1.30 O=CC1=NC(Cl)=CC=C1Cl 13557 [1,1,0,0,0,0|2,0,0]=4 845 B10R1.30 OCC1=CC(Br)=CC=C1O 22564 [1,1,0,0,0,0|0,0,2]=4 846 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 3086 [1,1,0,0,0,0|1,0,0]=3 847 B10R1.61 CC(=O)C1=C(C)C=CC=C1 3090 [1,1,0,0,0,0|0,0,0]=2 848 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 3084 [1,1,0,0,0,0|1,0,0]=3 849 B10R1.61 CC(=O)C1=C(F)C=CC=C1 22574 [1,1,0,0,0,0|1,0,0]=3 850 B10R1.61 CC(=O)C1=C(F)C=NC=C1 33787 [1,1,0,0,0,0|2,0,0]=4 851 B10R1.61 CC(=O)C1=C(I)C=CC=C1 3893 [1,1,0,0,0,0|1,0,0]=3 852 B10R1.61 CC(=O)C1=C(O)C=CC=C1 23010 [1,1,0,0,0,0|0,0,0]=2 853 B10R1.61 CC(=O)C1=CC=CN=C1Cl 14410 [1,1,0,0,0,0|2,0,0]=4 854 B10R1.61 CC(=O)C1=CC=CN=C1F 5049 [1,1,0,0,0,0|2,0,0]=4 855 B10R1.61 CC(=O)C1=CC=CN=C1N 18534 [1,1,0,0,0,0|2,0,0]=4 856 B10R1.61 CC(=O)C1=CC=CNC1=O 23936 [1,1,0,0,0,0|1,0,1]=4 857 B10R1.61 CC(=O)C1=NC=CC=C1Cl 34385 [1,1,0,0,0,0|2,0,0]=4 858 B10R1.61 CC(=O)C1=NC=CC=C1F 1300 [1,1,0,0,0,0|2,0,0]=4 859 B10R1.61 CC(=O)C1=NC=CC=C1N 17729 [1,1,0,0,0,0|2,0,0]=4 860 B10R1.61 CC(=O)C1=NC=CN=C1C 8616 [1,1,0,0,0,0|2,0,0]=4 861 B10R1.61 CC(C)C1=C(Br)C=CC=C1 16461 [1,1,0,0,0,0|2,0,0]=4 862 B10R1.61 CC(C)C1=C(I)C=CC=C1 12584 [1,1,0,0,0,0|2,0,0]=4 863 B10R1.61 CC(C)C1=C(S)C=CC=C1 6880 [1,1,0,0,0,0|1,1,0]=4 864 B10R1.61 CC1=C(B(O)O)C=CC=C1 1871 [1,1,0,0,0,0|1,0,1]=4 865 B10R1.61 CC1=C(C(=O)O)C=CC=N1 2458 [1,1,0,0,0,0|1,0,0]=3 866 B10R1.61 CC1=C(C(=O)O)C=CN=C1 19851 [1,1,0,0,0,0|1,0,0]=3 867 B10R1.61 CC1=C(C(=O)O)C=NC=C1 16270 [1,1,0,0,0,0|1,0,0]=3 868 B10R1.61 CC1=C(C(Cl)Cl)C=CC=C1 10210 [1,1,0,0,0,0|1,0,1]=4 869 B10R1.61 CC1=C(C(O)=S)C=CC=C1 10795 [1,1,0,0,0,0|0,0,1]=3 870 B10R1.61 CC1=C([N+](=O)[O-])C=CN=C1 6642 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 6644 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.61 CC1=CC=CC=C1C(=O)Cl 15451 [1,1,0,0,0,0|0,0,0]=2 873 B10R1.61 CC1=CC=CC=C1C(=O)O 15431 [1,1,0,0,0,0|0,0,0]=2 874 B10R1.61 CC1=CC=CN=C1C(=O)O 14396 [1,1,0,0,0,0|1,0,0]=3 875 B10R1.61 CC1=CC=CN=C1C(=O)O 17659 [1,1,0,0,0,0|1,0,0]=3 876 B10R1.61 CC1=CC=CN=C1[N+](=O)[O-] 6641 [1,1,0,0,0,0|2,0,0]=4 877 B10R1.61 CC1=NC=CC=C1C(N)=O 22966 [1,1,0,0,0,0|1,0,0]=3 878 B10R1.61 CC1=NC=CC=C1[N+](=O)[O-] 6643 [1,1,0,0,0,0|2,0,0]=4 879 B10R1.61 CN(C)C1=C(Br)C=CC=C1 3759 [1,1,0,0,0,0|2,0,0]=4 880 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 5269 [1,1,0,0,0,0|2,0,0]=4 881 B10R1.61 CN(C)C1=C(F)C=CC=C1 5243 [1,1,0,0,0,0|2,0,0]=4 882 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 24734 [1,1,0,0,0,0|2,0,0]=4 883 B10R1.61 C[C@@H](N)C1=C(O)C=CC=C1 23367 [1,1,0,0,0,0|1,0,1]=4 884 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 5686 [1,1,0,0,0,0|2,0,0]=4 885 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 3980 [1,1,0,0,0,0|2,0,0]=4 886 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 24769 [1,1,0,0,0,0|2,0,0]=4 887 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 24731 [1,1,0,0,0,0|2,0,0]=4 888 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 15728 [1,1,0,0,0,0|2,0,0]=4 889 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 5682 [1,1,0,0,0,0|2,0,0]=4 890 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 5670 [1,1,0,0,0,0|2,0,0]=4 891 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 24768 [1,1,0,0,0,0|2,0,0]=4 892 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 3733 [1,1,0,0,0,0|1,0,0]=3 893 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 22133 [1,1,0,0,0,0|2,0,0]=4 894 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 3617 [1,1,0,0,0,0|1,0,0]=3 895 B10R1.61 NC(=O)C1=C(F)C=CC=C1 3405 [1,1,0,0,0,0|1,0,0]=3 896 B10R1.61 NC(=O)C1=C(F)C=NC=C1 15252 [1,1,0,0,0,0|2,0,0]=4 897 B10R1.61 NC(=O)C1=C(I)C=CC=C1 3299 [1,1,0,0,0,0|1,0,0]=3 898 B10R1.61 NC(=O)C1=C(N)C=CN=C1 3187 [1,1,0,0,0,0|2,0,0]=4 899 B10R1.61 NC(=O)C1=CC=CC=C1N 13631 [1,1,0,0,0,0|1,0,0]=3 900 B10R1.61 NC(=O)C1=CC=CC=C1O 10992 [1,1,0,0,0,0|0,0,0]=2 901 B10R1.61 NC(=O)C1=CC=CN=C1N 14977 [1,1,0,0,0,0|2,0,0]=4 902 B10R1.61 NC(=O)C1=NC=CC=C1N 16893 [1,1,0,0,0,0|2,0,0]=4 903 B10R1.61 NC(=O)C1=NC=CC=C1O 36150 [1,1,0,0,0,0|1,0,0]=3 904 B10R1.61 NC(=O)C1=NC=CN=C1O 32110 [1,1,0,0,0,0|2,0,0]=4 905 B10R1.61 NC(=O)c1cccnc1Br 10860 [1,1,0,0,0,0|2,0,0]=4 906 B10R1.61 NC1=C(C(=O)O)C=CC=N1 1216 [1,1,0,0,0,0|2,0,0]=4 907 B10R1.61 NC1=C(C(=O)O)C=CN=C1 16665 [1,1,0,0,0,0|2,0,0]=4 908 B10R1.61 NC1=C(C(=O)O)C=CN=C1 2420 [1,1,0,0,0,0|2,0,0]=4 909 B10R1.61 NC1=CC=CN=C1C(=O)O 2015 [1,1,0,0,0,0|2,0,0]=4 910 B10R1.61 NC1=CC=NC=C1C(=O)O 1214 [1,1,0,0,0,0|2,0,0]=4 911 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 12510 [1,1,0,0,0,0|1,0,0]=3 912 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 2599 [1,1,0,0,0,0|2,0,0]=4 913 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 15054 [1,1,0,0,0,0|1,0,0]=3 914 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 3739 [1,1,0,0,0,0|1,0,0]=3 915 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 18140 [1,1,0,0,0,0|2,0,0]=4 916 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 13576 [1,1,0,0,0,0|2,0,0]=4 917 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 5087 [1,1,0,0,0,0|2,0,0]=4 918 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 2596 [1,1,0,0,0,0|2,0,0]=4 919 B10R1.61 O=C(O)C1=C(F)C=CC=C1 9650 [1,1,0,0,0,0|1,0,0]=3 920 B10R1.61 O=C(O)C1=C(F)C=CN=C1 10434 [1,1,0,0,0,0|2,0,0]=4 921 B10R1.61 O=C(O)C1=C(F)C=NC=C1 3549 [1,1,0,0,0,0|2,0,0]=4 922 B10R1.61 O=C(O)C1=C(F)N=CC=C1 1120 [1,1,0,0,0,0|2,0,0]=4 923 B10R1.61 O=C(O)C1=C(I)C=CC=C1 3924 [1,1,0,0,0,0|1,0,0]=3 924 B10R1.61 O=C(O)C1=C(I)N=CC=C1 34248 [1,1,0,0,0,0|2,0,0]=4 925 B10R1.61 O=C(O)C1=C(O)C=NC=C1 16741 [1,1,0,0,0,0|1,0,0]=3 926 B10R1.61 O=C(O)C1=C(O)N=CC=C1 2597 [1,1,0,0,0,0|1,0,0]=3 927 B10R1.61 O=C(O)C1=C(S)N=CC=C1 21289 [1,1,0,0,0,0|1,1,0]=4 928 B10R1.61 O=C(O)C1=CC=CC=C1S 6841 [1,1,0,0,0,0|0,1,0]=3 929 B10R1.61 O=C(O)C1=CC=CN=C1Br 5071 [1,1,0,0,0,0|2,0,0]=4 930 B10R1.61 O=C(O)C1=CN=CC=C1Cl 12989 [1,1,0,0,0,0|2,0,0]=4 931 B10R1.61 O=C(O)C1=CN=CC=C1I 33396 [1,1,0,0,0,0|2,0,0]=4 932 B10R1.61 O=C(O)C1=NC=CC=C1Br 5070 [1,1,0,0,0,0|2,0,0]=4 933 B10R1.61 O=C(O)C1=NC=CC=C1Cl 12918 [1,1,0,0,0,0|2,0,0]=4 934 B10R1.61 O=C(O)C1=NC=CC=C1F 5140 [1,1,0,0,0,0|2,0,0]=4 935 B10R1.61 O=C(O)C1=NC=CC=C1O 9286 [1,1,0,0,0,0|1,0,0]=3 936 B10R1.61 O=C(O)C1=NC=CN=C1O 8870 [1,1,0,0,0,0|2,0,0]=4 937 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 2270 [1,1,0,0,0,0|1,0,0]=3 938 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 3819 [1,1,0,0,0,0|2,0,0]=4 939 B10R1.61 O=[N+]([O-])C1=C(F)C=CC=C1 2063 [1,1,0,0,0,0|2,0,0]=4 940 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=C1 3952 [1,1,0,0,0,0|2,0,0]=4 941 B10R1.61 O=[N+]([O-])C1=C(O)C=CN=C1 9279 [1,1,0,0,0,0|2,0,0]=4 942 B10R1.61 O=[N+]([O-])C1=CC=CN=C1O 6557 [1,1,0,0,0,0|2,0,0]=4 943 B10R1.61 O=[N+]([O-])C1=NC=CC=C1O 2581 [1,1,0,0,0,0|2,0,0]=4 944 B10R1.61 O=[N+]([O-])c1ccccc1Cl 18481 [1,1,0,0,0,0|2,0,0]=4 945 B10R1.61 O=[N+]([O-])c1ccccc1F 28476 [1,1,0,0,0,0|2,0,0]=4 946 B10R1.61 OB(O)C1=C(O)C=CC=C1 9522 [1,1,0,0,0,0|1,0,1]=4 947 B10R1.245 C=CC1=C(F)C=CC=C1F 25426 [1,1,0,0,0,0|2,0,0]=4 948 B10R1.245 CC1=C(C=O)C(O)=CC=C1 22141 [1,1,0,0,0,0|0,0,0]=2 949 B10R1.245 CC1=CC=CC(Br)=C1C#N 22122 [1,1,0,0,0,0|1,0,1]=4 950 B10R1.245 CC1=CC=CC(C)=C1C=O 28414 [1,1,0,0,0,0|0,0,0]=2 951 B10R1.245 CC1=CC=CC(C)=C1CBr 31264 [1,1,0,0,0,0|1,0,1]=4 952 B10R1.245 CC1=CC=CC(C)=C1CCl 16611 [1,1,0,0,0,0|1,0,1]=4 953 B10R1.245 CC1=CC=CC(C)=C1CN 7406 [1,1,0,0,0,0|1,0,1]=4 954 B10R1.245 CC1=CC=CC(Cl)=C1C#N 23832 [1,1,0,0,0,0|1,0,1]=4 955 B10R1.245 CC1=CC=CC(Cl)=C1C=O 19866 [1,1,0,0,0,0|0,0,0]=2 956 B10R1.245 CC1=CC=CC(F)=C1C#N 4790 [1,1,0,0,0,0|1,0,1]=4 957 B10R1.245 CC1=CC=CC(F)=C1C=O 10067 [1,1,0,0,0,0|0,0,0]=2 958 B10R1.245 CC1=CC=CC(N)=C1C#N 20160 [1,1,0,0,0,0|1,0,1]=4 959 B10R1.245 CC1=CC=CC(O)=C1C#N 30777 [1,1,0,0,0,0|1,0,1]=4 960 B10R1.245 CC1=CC=NC(Cl)=C1C=O 34386 [1,1,0,0,0,0|1,0,0]=3 961 B10R1.245 CCC1=C(O)C=CC=C1N 28129 [1,1,0,0,0,0|1,0,1]=4 962 B10R1.245 CNC1=C(F)C=CC=C1F 34785 [1,1,0,0,0,0|2,0,0]=4 963 B10R1.245 COC1=C(Br)C=CC=C1Br 4108 [1,1,0,0,0,0|1,0,0]=3 964 B10R1.245 COC1=C(Br)C=CC=C1F 4126 [1,1,0,0,0,0|1,0,0]=3 965 B10R1.245 COC1=C(C)C=CC=C1C 4115 [1,1,0,0,0,0|0,0,1]=3 966 B10R1.245 COC1=C(C)NC=CC1=O 36249 [1,1,0,0,0,0|1,0,0]=3 967 B10R1.245 COC1=C(Cl)C=CC=C1C 5300 [1,1,0,0,0,0|0,0,1]=3 968 B10R1.245 COC1=C(Cl)C=CC=C1Cl 3682 [1,1,0,0,0,0|1,0,0]=3 969 B10R1.245 COC1=C(Cl)C=CC=C1F 20256 [1,1,0,0,0,0|1,0,0]=3 970 B10R1.245 COC1=C(F)C=CC=C1F 1968 [1,1,0,0,0,0|1,0,0]=3 971 B10R1.245 COC1=C(F)C=CC=C1I 3054 [1,1,0,0,0,0|1,0,0]=3 972 B10R1.245 COC1=C(I)C=CN=C1Br 26876 [1,1,0,0,0,0|2,0,0]=4 973 B10R1.245 COC1=C(N)C=CC=C1Br 17787 [1,1,0,0,0,0|1,0,0]=3 974 B10R1.245 COC1=C(N)C=CC=C1Cl 31013 [1,1,0,0,0,0|1,0,0]=3 975 B10R1.245 COC1=C(N)C=CC=C1F 3021 [1,1,0,0,0,0|1,0,0]=3 976 B10R1.245 COC1=C(O)C=CC=C1Br 28106 [1,1,0,0,0,0|0,0,1]=3 977 B10R1.245 COC1=C(O)C=CC=C1Cl 27362 [1,1,0,0,0,0|0,0,1]=3 978 B10R1.245 COC1=C(O)C=CC=C1F 33437 [1,1,0,0,0,0|0,0,1]=3 979 B10R1.245 COC1=C(O)C=CN=C1Br 27180 [1,1,0,0,0,0|1,0,1]=4 980 B10R1.245 CSC1=C(O)C=CC=C1Br 27603 [1,1,0,0,0,0|0,1,1]=4 981 B10R1.245 Cc1cccc(Br)c1CBr 31341 [1,1,0,0,0,0|1,0,1]=4 982 B10R1.245 N#CC1=C(Br)C=CC=C1O 28720 [1,1,0,0,0,0|1,0,1]=4 983 B10R1.245 N#CC1=C(Cl)C=CC=C1O 25376 [1,1,0,0,0,0|1,0,1]=4 984 B10R1.245 N#CC1=C(F)C=CC=C1O 2223 [1,1,0,0,0,0|1,0,1]=4 985 B10R1.245 O=CC1=C(Br)C=CC=C1Cl 27373 [1,1,0,0,0,0|1,0,0]=3 986 B10R1.245 O=CC1=C(Br)C=CC=C1F 1419 [1,1,0,0,0,0|1,0,0]=3 987 B10R1.245 O=CC1=C(Br)C=CC=C1O 17006 [1,1,0,0,0,0|0,0,0]=2 988 B10R1.245 O=CC1=C(Br)C=NC=C1Br 17139 [1,1,0,0,0,0|2,0,0]=4 989 B10R1.245 O=CC1=C(Cl)C=CC=C1Cl 8225 [1,1,0,0,0,0|1,0,0]=3 990 B10R1.245 O=CC1=C(Cl)C=CC=C1F 1434 [1,1,0,0,0,0|1,0,0]=3 991 B10R1.245 O=CC1=C(Cl)C=CC=C1O 17008 [1,1,0,0,0,0|0,0,0]=2 992 B10R1.245 O=CC1=C(Cl)C=NC=C1Cl 5101 [1,1,0,0,0,0|2,0,0]=4 993 B10R1.245 O=CC1=C(Cl)N=CC=C1Cl 22521 [1,1,0,0,0,0|2,0,0]=4 994 B10R1.245 O=CC1=C(F)C=CC=C1F 1438 [1,1,0,0,0,0|1,0,0]=3 995 B10R1.245 O=CC1=C(F)C=CC=C1O 8482 [1,1,0,0,0,0|0,0,0]=2 996 B10R1.245 O=CC1=C(F)C=NC=C1F 5102 [1,1,0,0,0,0|2,0,0]=4 997 B10R1.245 O=CC1=C(F)N=CC=C1Br 32482 [1,1,0,0,0,0|2,0,0]=4 998 B10R1.245 O=CC1=C(F)N=CC=C1I 29106 [1,1,0,0,0,0|2,0,0]=4 999 B10R1.245 O=CC1=C(I)C=CC=C1Cl 22998 [1,1,0,0,0,0|1,0,0]=3 1000 B10R1.245 O=CC1=C(I)C=CC=C1F 1445 [1,1,0,0,0,0|1,0,0]=3 1001 B10R1.245 O=CC1=C(I)C=CN=C1Cl 8084 [1,1,0,0,0,0|2,0,0]=4 1002 B10R1.245 O=CC1=C(I)C=CN=C1F 15242 [1,1,0,0,0,0|2,0,0]=4 1003 B10R1.245 O=CC1=C(O)C=CC=C1I 30989 [1,1,0,0,0,0|0,0,0]=2 1004 B12R1.46 CC(C)C1=C(C=O)C=CC(O)=C1 28102 [0,2,0,0,0,0|1,0,0]=3 1005 B12R1.46 CC1=CC(B(O)O)=C(C=O)C=C1 17077 [0,2,0,0,0,0|2,0,0]=4 1006 B12R1.46 CC1=CC([N+](=O)[O-])=C(C=O)C=C1 28422 [0,2,0,0,0,0|2,0,0]=4 1007 B12R1.46 CCC1=C(C(=O)O)C=C(Br)C=C1 30676 [0,2,0,0,0,0|1,0,0]=3 1008 B12R1.46 CNC1=C([N+](=O)[O-])C=C(Br)C=C1 33517 [0,2,0,0,0,0|2,0,0]=4 1009 B12R1.46 CNC1=C([N+](=O)[O-])C=C(F)C=C1 10105 [0,2,0,0,0,0|2,0,0]=4 1010 B12R1.46 COC1=C(B(O)O)C=C(Br)C=C1 26025 [0,2,0,0,0,0|1,0,1]=4 1011 B12R1.46 COC1=C(B(O)O)C=C(C)C=C1 23333 [0,2,0,0,0,0|1,0,1]=4 1012 B12R1.46 COC1=C(B(O)O)C=C(Cl)C=C1 1782 [0,2,0,0,0,0|1,0,1]=4 1013 B12R1.46 COC1=C(B(O)O)C=C(F)C=C1 1851 [0,2,0,0,0,0|1,0,1]=4 1014 B12R1.46 COC1=C(C(=O)Cl)C=C(Cl)C=C1 2109 [0,2,0,0,0,0|0,0,0]=2 1015 B12R1.46 COC1=C(C(=O)O)C=C(Br)C=C1 2676 [0,2,0,0,0,0|0,0,0]=2 1016 B12R1.46 COC1=C(C(=O)O)C=C(Br)C=N1 16564 [0,2,0,0,0,0|1,0,0]=3 1017 B12R1.46 COC1=C(C(=O)O)C=C(Cl)C=C1 2680 [0,2,0,0,0,0|0,0,0]=2 1018 B12R1.46 COC1=C(C(=O)O)C=C(Cl)C=N1 26868 [0,2,0,0,0,0|1,0,0]=3 1019 B12R1.46 COC1=C(C(=O)O)C=C(F)C=C1 2677 [0,2,0,0,0,0|0,0,0]=2 1020 B12R1.46 COC1=C(C(=O)O)C=C(F)C=N1 10625 [0,2,0,0,0,0|1,0,0]=3 1021 B12R1.46 COC1=C(C(C)=O)C=C(Br)C=C1 29263 [0,2,0,0,0,0|0,0,0]=2 1022 B12R1.46 COC1=C(C(C)=O)C=C(Br)C=C1 35096 [0,2,0,0,0,0|0,0,0]=2 1023 B12R1.46 COC1=C(C(C)=O)C=C(Cl)C=C1 33633 [0,2,0,0,0,0|0,0,0]=2 1024 B12R1.46 COC1=C(C(C)=O)C=C(F)C=C1 29154 [0,2,0,0,0,0|0,0,0]=2 1025 B12R1.46 COC1=C(C(C)C)C=C(C)C=C1 44855 [0,2,0,0,0,0|1,0,1]=4 1026 B12R1.46 COC1=C(C(F)F)C=C(Br)C=C1 31148 [0,2,0,0,0,0|1,0,1]=4 1027 B12R1.46 COC1=C([N+](=O)[O-])C=C(Br)C=C1 5341 [0,2,0,0,0,0|1,0,0]=3 1028 B12R1.46 COC1=C([N+](=O)[O-])C=C(C)C=C1 13079 [0,2,0,0,0,0|1,0,0]=3 1029 B12R1.46 COC1=C([N+](=O)[O-])C=C(Cl)C=C1 2626 [0,2,0,0,0,0|1,0,0]=3 1030 B12R1.46 COC1=C([N+](=O)[O-])C=C(F)C=C1 1966 [0,2,0,0,0,0|1,0,0]=3 1031 B12R1.46 COC1=C([N+](=O)[O-])C=C(N)C=C1 14815 [0,2,0,0,0,0|1,0,0]=3 1032 B12R1.46 COC1=C([N+](=O)[O-])C=C(O)C=C1 20534 [0,2,0,0,0,0|1,0,0]=3 1033 B12R1.46 COC1=CC=C(C)N=C1[N+](=O)[O-] 6636 [0,2,0,0,0,0|2,0,0]=4 1034 B12R1.46 COC1=NC=C(Br)C=C1[N+](=O)[O-] 6589 [0,2,0,0,0,0|2,0,0]=4 1035 B12R1.46 COC1=NC=C(C)C=C1[N+](=O)[O-] 6590 [0,2,0,0,0,0|2,0,0]=4 1036 B12R1.46 COC1=NC=C(Cl)C=C1[N+](=O)[O-] 9640 [0,2,0,0,0,0|2,0,0]=4 1037 B12R1.46 N#CC1=C(C(=O)O)C=C(Br)C=C1 28551 [0,2,0,0,0,0|2,0,0]=4 1038 B12R1.46 N#CC1=C(C(=O)O)C=C(F)C=C1 4599 [0,2,0,0,0,0|2,0,0]=4 1039 B12R1.46 O=CC1=C(B(O)O)C=C(Cl)C=C1 7911 [0,2,0,0,0,0|2,0,0]=4 1040 B12R1.46 O=CC1=C(B(O)O)C=C(F)C=C1 29630 [0,2,0,0,0,0|2,0,0]=4 1041 B12R1.46 O=CC1=C(C(=O)O)C=C(Cl)C=C1 16943 [0,2,0,0,0,0|2,0,0]=4 1042 B12R1.46 O=CC1=C([N+](=O)[O-])C=C(Br)C=C1 4178 [0,2,0,0,0,0|2,0,0]=4 1043 B12R1.46 O=CC1=C([N+](=O)[O-])C=C(Cl)C=C1 4185 [0,2,0,0,0,0|2,0,0]=4 1044 B12R1.46 O=CC1=C([N+](=O)[O-])C=C(F)C=C1 15643 [0,2,0,0,0,0|2,0,0]=4 1045 B12R1.57 CC1=CC(C#N)=C(C(=O)O)C=C1 30634 [0,2,0,0,0,0|2,0,0]=4 1046 B12R1.57 CC1=CC(C=O)=C([N+](=O)[O-])C=C1 30958 [0,2,0,0,0,0|2,0,0]=4 1047 B12R1.57 COC1=C(B(O)O)C=CC(C)=C1 33213 [0,2,0,0,0,0|1,0,1]=4 1048 B12R1.57 COC1=C(B(O)O)C=CC(Cl)=C1 29629 [0,2,0,0,0,0|1,0,1]=4 1049 B12R1.57 COC1=C(B(O)O)C=CC(F)=C1 19716 [0,2,0,0,0,0|1,0,1]=4 1050 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=C1 20561 [0,2,0,0,0,0|0,0,0]=2 1051 B12R1.57 COC1=C(C(=O)O)C=CC(C)=C1 30703 [0,2,0,0,0,0|0,0,0]=2 1052 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 24655 [0,2,0,0,0,0|0,0,0]=2 1053 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=N1 32487 [0,2,0,0,0,0|1,0,0]=3 1054 B12R1.57 COC1=C(C(=O)O)C=CC(F)=C1 4969 [0,2,0,0,0,0|0,0,0]=2 1055 B12R1.57 COC1=C(C(=O)O)C=CC(F)=N1 27962 [0,2,0,0,0,0|1,0,0]=3 1056 B12R1.57 COC1=C(C(=O)O)C=CC(N)=C1 4934 [0,2,0,0,0,0|0,0,0]=2 1057 B12R1.57 COC1=C(C(=O)O)C=CC(O)=C1 27704 [0,2,0,0,0,0|0,0,0]=2 1058 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=C1 31217 [0,2,0,0,0,0|0,0,0]=2 1059 B12R1.57 COC1=C(C(C)=O)C=CC(F)=C1 13459 [0,2,0,0,0,0|0,0,0]=2 1060 B12R1.57 COC1=C(C(C)=O)C=CC(N)=C1 31215 [0,2,0,0,0,0|0,0,0]=2 1061 B12R1.57 COC1=C([N+](=O)[O-])C=CC(Br)=C1 28358 [0,2,0,0,0,0|1,0,0]=3 1062 B12R1.57 COC1=C([N+](=O)[O-])C=CC(Cl)=C1 21674 [0,2,0,0,0,0|1,0,0]=3 1063 B12R1.57 COC1=C([N+](=O)[O-])C=CC(Cl)=C1 4104 [0,2,0,0,0,0|1,0,0]=3 1064 B12R1.57 COC1=C([N+](=O)[O-])C=CC(F)=C1 4140 [0,2,0,0,0,0|1,0,0]=3 1065 B12R1.57 COC1=C([N+](=O)[O-])C=CC(N)=C1 23901 [0,2,0,0,0,0|1,0,0]=3 1066 B12R1.57 COC1=C([N+](=O)[O-])C=CC(O)=C1 19798 [0,2,0,0,0,0|1,0,0]=3 1067 B12R1.57 COC1=C([N+](=O)[O-])C=C[N+]([O-])=C1 27751 [0,2,0,0,0,0|2,0,0]=4 1068 B12R1.57 COC1=CC(Br)=CN=C1[N+](=O)[O-] 6692 [0,2,0,0,0,0|2,0,0]=4 1069 B12R1.57 COC1=CC(Cl)=NC=C1C(=O)O 18814 [0,2,0,0,0,0|1,0,0]=3 1070 B12R1.57 COC1=CC(Cl)=NC=C1[N+](=O)[O-] 17424 [0,2,0,0,0,0|2,0,0]=4 1071 B12R1.57 COC1=NC(Br)=CC=C1[N+](=O)[O-] 6591 [0,2,0,0,0,0|2,0,0]=4 1072 B12R1.57 COC1=NC(C)=CC=C1[N+](=O)[O-] 6592 [0,2,0,0,0,0|2,0,0]=4 1073 B12R1.57 COc1cc(C)ccc1[N+](=O)[O-] 26673 [0,2,0,0,0,0|1,0,0]=3 1074 B12R1.57 N#CC1=C(C(=O)O)C=CC(Br)=C1 30640 [0,2,0,0,0,0|2,0,0]=4 1075 B12R1.57 N#CC1=C(C(=O)O)C=CC(N)=C1 30727 [0,2,0,0,0,0|2,0,0]=4 1076 B12R1.57 O=CC1=C(B(O)O)C=CC(F)=C1 29624 [0,2,0,0,0,0|2,0,0]=4 1077 B12R1.57 O=CC1=C([N+](=O)[O-])C=CC(Br)=C1 30919 [0,2,0,0,0,0|2,0,0]=4 1078 B12R1.57 O=CC1=C([N+](=O)[O-])C=CC(Cl)=C1 8199 [0,2,0,0,0,0|2,0,0]=4 1079 B12R1.57 O=CC1=C([N+](=O)[O-])C=CC(F)=C1 3078 [0,2,0,0,0,0|2,0,0]=4 1080 B12R1.57 O=CC1=C([N+](=O)[O-])C=CC(O)=C1 8205 [0,2,0,0,0,0|2,0,0]=4 1081 B12R1.78 C#CC1=CC(OC)=C(OC)C=C1 19824 [0,2,0,0,0,0|2,0,0]=4 1082 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 3047 [0,2,0,0,0,0|1,0,1]=4 1083 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 3046 [0,2,0,0,0,0|2,0,0]=4 1084 B12R1.78 COC1=C(C=O)C=CC(C#N)=C1 17019 [0,2,0,0,0,0|0,0,0]=2 1085 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 8124 [0,2,0,0,0,0|2,0,0]=4 1086 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 8238 [0,2,0,0,0,0|2,0,0]=4 1087 B12R1.78 COC1=C(OC)C=C(CCl)C=C1 13181 [0,2,0,0,0,0|2,0,0]=4 1088 B12R1.78 COC1=C(OC)C=C(CN)C=C1 7394 [0,2,0,0,0,0|2,0,0]=4 1089 B12R1.78 COC1=C(OC)C=C(CO)C=C1 7452 [0,2,0,0,0,0|2,0,0]=4 1090 B12R1.78 COC1=CC(C#N)=C(C=O)C=C1 17011 [0,2,0,0,0,0|2,0,0]=4 1091 B12R1.78 COC1=CC(C#N)=C(OC)C=C1 13109 [0,2,0,0,0,0|1,0,1]=4 1092 B12R1.78 COC1=CC(C=O)=C(OC)C=C1 2176 [0,2,0,0,0,0|0,0,0]=2 1093 B12R1.78 COC1=CC(CN)=C(OC)C=C1 7396 [0,2,0,0,0,0|1,0,1]=4 1094 B12R1.78 COC1=CC(OC)=C(C#N)C=C1 13105 [0,2,0,0,0,0|1,0,1]=4 1095 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 8220 [0,2,0,0,0,0|0,0,0]=2 1096 B12R1.78 COC1=CC(OC)=C(CCl)C=C1 27178 [0,2,0,0,0,0|1,0,1]=4 1097 B12R1.78 COC1=CC(OC)=C(CN)C=C1 7397 [0,2,0,0,0,0|1,0,1]=4 1098 B12R1.78 COC1=CC(OC)=C(CN)C=C1 7398 [0,2,0,0,0,0|1,0,1]=4 1099 B12R1.78 COC1=CC(OC)=C(CO)C=C1 7454 [0,2,0,0,0,0|0,0,2]=4 1100 B12R1.78 COC1=CC=C(C=O)C(OC)=N1 5105 [0,2,0,0,0,0|1,0,0]=3 1101 B12R1.78 COC1=NC=C(C=O)C(OC)=N1 5292 [0,2,0,0,0,0|2,0,0]=4 1102 B12R1.112 CCOC1=C(C=O)C=C(Br)C=C1 2641 [0,2,0,0,0,0|0,0,0]=2 1103 B12R1.112 COC1=C(CC#N)C=CC(Br)=C1 31434 [0,2,0,0,0,0|1,0,1]=4 1104 B12R1.234 COC1=C(C#N)C=C(F)C=C1F 30779 [0,2,0,0,0,0|1,0,1]=4 1105 B12R1.234 COC1=C(C#N)C=C(F)C=C1F 4766 [0,2,0,0,0,0|1,0,1]=4 1106 B12R1.234 COC1=C(C=O)C=C(F)C=C1F 4200 [0,2,0,0,0,0|0,0,0]=2 1107 B12R1.234 COC1=C(CBr)C=C(F)C=C1F 31277 [0,2,0,0,0,0|1,0,1]=4 1108 B12R1.234 COC1=CC(Cl)=CC(F)=C1C=O 28126 [0,2,0,0,0,0|0,0,0]=2 1109 B12R1.234 COC1=CC(F)=CC(F)=C1C#N 30817 [0,2,0,0,0,0|1,0,1]=4 1110 B12R1.234 COC1=CC(F)=CC(F)=C1C=O 30946 [0,2,0,0,0,0|0,0,0]=2 1111 B12R1.268 CCOC1=C(C#N)C=CC(Br)=C1 25387 [0,2,0,0,0,0|1,0,1]=4 1112 B12R1.448 COC1=C(C#N)C=C(F)C(F)=C1 4767 [0,2,0,0,0,0|1,0,1]=4 1113 B12R1.448 COC1=C(C=O)C=C(F)C(F)=C1 28412 [0,2,0,0,0,0|0,0,0]=2 1114 B12R1.448 COC1=C(OC)C=C(Br)C(F)=C1 31170 [0,2,0,0,0,0|2,0,0]=4 1115 B12R1.448 COC1=CC(C)=C(Br)C=C1OC 26172 [0,2,0,0,0,0|2,0,0]=4 1116 B12R1.448 COC1=CC(C)=C(N)C=C1OC 4424 [0,2,0,0,0,0|2,0,0]=4 1117 B12R1.448 COC1=CC(F)=C(F)C=C1OC 3039 [0,2,0,0,0,0|2,0,0]=4 1118 B12R1.652 COC1=CC=C(Br)C(F)=C1C=O 25794 [0,2,0,0,0,0|0,0,0]=2 1119 B12R1.652 COC1=CC=C(F)C(F)=C1C#N 4763 [0,2,0,0,0,0|1,0,1]=4 1120 B12R1.652 COC1=CC=C(F)C(F)=C1C=O 2902 [0,2,0,0,0,0|0,0,0]=2 1121 B12R1.75 CC(=O)OC1=C(C#N)C=CC=C1 13326 [0,2,0,0,0,0|1,0,1]=4 1122 B12R1.75 CC(C)OC1=C(CN)C=CC=C1 23166 [0,2,0,0,0,0|1,0,1]=4 1123 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 23387 [0,2,0,0,0,0|0,0,0]=2 1124 B12R1.75 COC1=C(NC(C)=O)C=CC=C1 3319 [0,2,0,0,0,0|0,0,0]=2 1125 B12R1.75 FC(F)OC1=C(CBr)C=CC=C1 24566 [0,2,0,0,0,0|1,0,1]=4 1126 B12R1.75 N#CC1=C(CC(=O)O)C=CC=C1 28857 [0,2,0,0,0,0|2,0,0]=4 1127 B12R1.75 NCC1=C(CC(=O)O)C=CC=C1 22177 [0,2,0,0,0,0|2,0,0]=4 1128 B12R1.75 O=CC1=C(OC(F)F)C=CC=C1 2906 [0,2,0,0,0,0|0,0,0]=2 1129 B12R1.77 C#CC1=C(C(=O)OC)C=CC=C1 35564 [0,2,0,0,0,0|1,0,1]=4 1130 B12R1.77 CNC1=C(C(=O)OC)C=CC=C1 13627 [0,2,0,0,0,0|1,0,0]=3 1131 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 30507 [0,2,0,0,0,0|0,0,0]=2 1132 B12R1.77 COC(=O)C1=C(CBr)C=CC=C1 12369 [0,2,0,0,0,0|1,0,1]=4 1133 B12R1.77 COC(=O)C1=C(OC)C=CC=C1 20353 [0,2,0,0,0,0|0,0,0]=2 1134 B12R1.77 COC(=O)C1=CN=CC=C1OC 33526 [0,2,0,0,0,0|1,0,0]=3 1135 B12R1.77 COC(=O)c1ccccc1C#N 24574 [0,2,0,0,0,0|1,0,1]=4 1136 B12R1.77 COc1ccccc1C(=O)CN 20067 [0,2,0,0,0,0|0,0,0]=2 1137 B12R1.121 C=CCOC1=C(C=O)C=CC=C1 3111 [0,2,0,0,0,0|0,0,0]=2 1138 B12R1.121 CCCOC1=C(C=O)C=CC=C1 3160 [0,2,0,0,0,0|0,0,0]=2 1139 B12R1.121 COC1=C(OCCBr)C=CC=C1 3133 [0,2,0,0,0,0|1,0,1]=4 1140 B12R1.121 COC1=C(OCCN)C=CC=C1 20696 [0,2,0,0,0,0|1,0,1]=4 1141 B12R1.121 COC1=C(OCCN)C=CC=C1 20697 [0,2,0,0,0,0|1,0,1]=4 1142 B12R1.169 CCOC1=C(OCC)C=CC=C1 27087 [0,2,0,0,0,0|1,0,1]=4 1143 B12R1.283 C=CCC1=C(C(=O)O)C=CC=C1 16218 [0,2,0,0,0,0|1,0,1]=4 1144 B12R1.283 CCOC1=C(B(O)O)C=CC=C1 1834 [0,2,0,0,0,0|1,0,1]=4 1145 B12R1.283 CCOC1=C(C(=N)N)C=CC=C1 11862 [0,2,0,0,0,0|1,0,0]=3 1146 B12R1.283 CCOC1=C(C(=O)O)C=CC=C1 20122 [0,2,0,0,0,0|0,0,0]=2 1147 B12R1.283 CCOC1=C(C(=O)O)C=CC=N1 16563 [0,2,0,0,0,0|1,0,0]=3 1148 B12R1.283 CCOC1=C(C(C)=O)C=CC=C1 13191 [0,2,0,0,0,0|0,0,0]=2 1149 B12R1.283 CCOC1=C([N+](=O)[O-])C=CC=C1 3186 [0,2,0,0,0,0|1,0,0]=3 1150 B12R1.283 CCOC1=C([N+](=O)[O-])C=NC=C1 6673 [0,2,0,0,0,0|2,0,0]=4 1151 B12R1.283 CCOC1=C([N+](=O)[O-])C=NC=C1 6674 [0,2,0,0,0,0|2,0,0]=4 1152 B12R1.283 CCOC1=CC=CN=C1[N+](=O)[O-] 6624 [0,2,0,0,0,0|2,0,0]=4 1153 B12R1.283 COCC1=C(B(O)O)C=CC=C1 7997 [0,2,0,0,0,0|1,0,1]=4 1154 B12R1.283 O=[N+]([O-])C1=C(CCO)C=CC=C1 29211 [0,2,0,0,0,0|2,0,0]=4 1155 B12R1.542 CCOC1=C(C#N)C(F)=CC=C1 10116 [0,2,0,0,0,0|1,0,1]=4 1156 B12R1.1112 COC1=CC=CC(F)=C1CC#N 31502 [0,2,0,0,0,0|1,0,1]=4 1157 B12R1.76 COC1=C(C(F)(F)F)C=CC=C1 3564 [0,2,0,0,0,0|1,0,1]=4 1158 B12R1.76 COC1=C(S(C)(=O)=O)C=NC=C1 6688 [0,2,0,0,0,0|2,0,0]=4 1159 B12R1.76 COC1=C([B-](F)(F)F)C=CC=C1 11466 [0,2,0,0,0,0|2,0,0]=4 1160 B12R1.76 O=CC1=C(C(F)(F)F)C=CC=C1 1472 [0,2,0,0,0,0|2,0,0]=4 1161 B12R1.87 COC1=C(B(O)O)C=CC=C1C 33457 [0,2,0,0,0,0|1,0,1]=4 1162 B12R1.87 COC1=C(B(O)O)C=CC=C1Cl 8535 [0,2,0,0,0,0|1,0,1]=4 1163 B12R1.87 COC1=C(B(O)O)C=CC=C1F 1849 [0,2,0,0,0,0|1,0,1]=4 1164 B12R1.87 COC1=C(Br)C=CC=C1[N+](=O)[O-] 16795 [0,2,0,0,0,0|1,0,0]=3 1165 B12R1.87 COC1=C(C(=O)O)C=CC=C1Br 30470 [0,2,0,0,0,0|0,0,0]=2 1166 B12R1.87 COC1=C(C(=O)O)C=CC=C1Cl 30473 [0,2,0,0,0,0|0,0,0]=2 1167 B12R1.87 COC1=C(C(=O)O)C=CC=C1F 28650 [0,2,0,0,0,0|0,0,0]=2 1168 B12R1.87 COC1=C(C(=O)O)C=CC=C1I 35142 [0,2,0,0,0,0|0,0,0]=2 1169 B12R1.87 COC1=C(C(=O)O)C=CC=C1N 33269 [0,2,0,0,0,0|0,0,0]=2 1170 B12R1.87 COC1=C(C(C)=O)C=CC=C1Br 33634 [0,2,0,0,0,0|0,0,0]=2 1171 B12R1.87 COC1=C(C(C)=O)C=CC=C1O 34254 [0,2,0,0,0,0|0,0,0]=2 1172 B12R1.87 COC1=C(C)C=CN=C1[N+](=O)[O-] 6635 [0,2,0,0,0,0|2,0,0]=4 1173 B12R1.87 COC1=C(Cl)C=CC=C1[N+](=O)[O-] 26285 [0,2,0,0,0,0|1,0,0]=3 1174 B12R1.87 COC1=C(F)C=CC=C1[N+](=O)[O-] 10683 [0,2,0,0,0,0|1,0,0]=3 1175 B12R1.87 COC1=C(N)C=CC=C1[N+](=O)[O-] 25733 [0,2,0,0,0,0|1,0,0]=3 1176 B12R1.87 O=CC1=C(B(O)O)C=CC=C1Cl 34150 [0,2,0,0,0,0|2,0,0]=4 1177 B12R1.87 O=CC1=C(B(O)O)C=CC=C1F 29596 [0,2,0,0,0,0|2,0,0]=4 1178 B12R1.87 O=CC1=C(Br)C=CC=C1[N+](=O)[O-] 4175 [0,2,0,0,0,0|2,0,0]=4 1179 B12R1.87 O=CC1=C(Cl)C=CC=C1[N+](=O)[O-] 17009 [0,2,0,0,0,0|2,0,0]=4 1180 B12R1.87 O=CC1=C(F)C=CC=C1[N+](=O)[O-] 28416 [0,2,0,0,0,0|2,0,0]=4 1181 B12R1.261 CC(=O)C1=C(B(O)O)C=CC=C1 5373 [0,2,0,0,0,0|2,0,0]=4 1182 B12R1.261 CC(=O)C1=C(C(C)=O)C=CC=C1 24179 [0,2,0,0,0,0|1,0,0]=3 1183 B12R1.261 CC(C)C1=C(C(=O)O)C=CC=C1 19980 [0,2,0,0,0,0|1,0,0]=3 1184 B12R1.261 NC(=O)C1=C(B(O)O)C=CC=C1 1766 [0,2,0,0,0,0|2,0,0]=4 1185 B12R1.261 O=C(O)C1=C(B(O)O)C=CC=C1 5201 [0,2,0,0,0,0|2,0,0]=4 1186 B12R1.261 O=C(O)C1=C(C(F)F)C=CC=C1 30464 [0,2,0,0,0,0|2,0,0]=4 1187 B12R1.261 O=C(O)C1=C(I(=O)=O)C=CC=C1 13864 [0,2,0,0,0,0|2,0,0]=4 1188 B12R1.261 O=C(O)C1=C([N+](=O)[O-])C=CC=C1 22385 [0,2,0,0,0,0|2,0,0]=4 1189 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)O 35845 [0,2,0,0,0,0|2,0,0]=4 1190 B12R1.437 CC1=CC=CC(C=O)=C1[N+](=O)[O-] 30951 [0,2,0,0,0,0|2,0,0]=4 1191 B12R1.437 CCC1=C(C(=O)O)C(F)=CC=C1 19695 [0,2,0,0,0,0|1,0,0]=3 1192 B12R1.437 CCC1=C(C(=O)O)C(O)=CC=C1 19709 [0,2,0,0,0,0|1,0,0]=3 1193 B12R1.437 CCC1=CC=CC(N)=C1C(N)=O 19694 [0,2,0,0,0,0|1,0,0]=3 1194 B12R1.437 COC1=C(C(=O)O)C(C)=CC=C1 25223 [0,2,0,0,0,0|0,0,0]=2 1195 B12R1.437 COC1=C(C(=O)O)C(O)=CC=C1 18380 [0,2,0,0,0,0|0,0,0]=2 1196 B12R1.437 COC1=C(C(C)=O)C(C)=CC=C1 34134 [0,2,0,0,0,0|0,0,0]=2 1197 B12R1.437 COC1=C([N+](=O)[O-])C(C)=CC=C1 12903 [0,2,0,0,0,0|1,0,0]=3 1198 B12R1.437 COC1=CC=CC(Br)=C1C(=O)O 11265 [0,2,0,0,0,0|0,0,0]=2 1199 B12R1.437 COC1=CC=CC(Br)=C1C(C)=O 33635 [0,2,0,0,0,0|0,0,0]=2 1200 B12R1.437 COC1=CC=CC(Br)=C1[N+](=O)[O-] 25239 [0,2,0,0,0,0|1,0,0]=3 1201 B12R1.437 COC1=CC=CC(C)=C1C(N)=O 28776 [0,2,0,0,0,0|0,0,0]=2 1202 B12R1.437 COC1=CC=CC(Cl)=C1B(O)O 32656 [0,2,0,0,0,0|1,0,1]=4 1203 B12R1.437 COC1=CC=CC(Cl)=C1C(=O)O 33426 [0,2,0,0,0,0|0,0,0]=2 1204 B12R1.437 COC1=CC=CC(Cl)=C1C(N)=O 19927 [0,2,0,0,0,0|0,0,0]=2 1205 B12R1.437 COC1=CC=CC(F)=C1B(O)O 29577 [0,2,0,0,0,0|1,0,1]=4 1206 B12R1.437 COC1=CC=CC(F)=C1C(=O)O 4967 [0,2,0,0,0,0|0,0,0]=2 1207 B12R1.437 COC1=CC=CC(F)=C1C(C)=O 29153 [0,2,0,0,0,0|0,0,0]=2 1208 B12R1.437 COC1=CC=CC(F)=C1[N+](=O)[O-] 33415 [0,2,0,0,0,0|1,0,0]=3 1209 B12R1.437 COC1=CC=CC(N)=C1C(=O)O 4706 [0,2,0,0,0,0|0,0,0]=2 1210 B12R1.437 COC1=CC=CC(N)=C1[N+](=O)[O-] 33265 [0,2,0,0,0,0|1,0,0]=3 1211 B12R1.437 COC1=CC=CC(O)=C1C(C)=O 16677 [0,2,0,0,0,0|0,0,0]=2 1212 B12R1.437 COC1=NC=CC(C)=C1[N+](=O)[O-] 6587 [0,2,0,0,0,0|2,0,0]=4 1213 B12R1.437 N#CC1=CC=CC(Br)=C1C(=O)O 30723 [0,2,0,0,0,0|2,0,0]=4 1214 B12R1.437 O=CC1=C([N+](=O)[O-])C(Br)=CC=C1 30939 [0,2,0,0,0,0|2,0,0]=4 1215 B12R1.437 O=CC1=C([N+](=O)[O-])C(Cl)=CC=C1 28401 [0,2,0,0,0,0|2,0,0]=4 1216 B12R1.437 O=CC1=C([N+](=O)[O-])C(F)=CC=C1 28417 [0,2,0,0,0,0|2,0,0]=4 1217 B12R1.741 COC1=C(C=O)C(F)=CC=C1F 30895 [0,2,0,0,0,0|0,0,0]=2 1218 B12R1.741 COC1=C(CO)C(Cl)=CC=C1Cl 27461 [0,2,0,0,0,0|0,0,2]=4 1219 B12R1.1879 COC1=CC=CC(C#N)=C1OC 13104 [0,2,0,0,0,0|1,0,1]=4 1220 B12R1.1879 COC1=CC=CC(C=O)=C1OC 8216 [0,2,0,0,0,0|0,0,0]=2 1221 B12R1.1879 COC1=CC=CC(CN)=C1OC 7399 [0,2,0,0,0,0|1,0,1]=4 1222 B12R1.1879 COC1=CC=CC(CO)=C1OC 44703 [0,2,0,0,0,0|0,0,2]=4 1223 B12R1.1879 COC1=CC=CC(OC)=C1C#N 4772 [0,2,0,0,0,0|1,0,1]=4 1224 B12R1.1879 COC1=CC=CC(OC)=C1C=O 8226 [0,2,0,0,0,0|0,0,0]=2 1225 B12R1.1879 COC1=CC=CC(OC)=C1CN 7395 [0,2,0,0,0,0|1,0,1]=4 1226 B12R1.1879 COC1=CC=CC(OC)=C1OC 14319 [0,2,0,0,0,0|2,0,0]=4 1227 B12R1.1879 COC1=CN=CC(OC)=C1C=O 28077 [0,2,0,0,0,0|1,0,0]=3 1228 B12R1.1879 COC1=NC=NC(OC)=C1C=O 27980 [0,2,0,0,0,0|2,0,0]=4 1229 B10R1.15 COC(=O)C1=CN=CC=C1 11724 [0,0,1,1,0,0|2,0,0]=4 1230 B10R1.172 COC1=CC(C=O)=NC=C1 27798 [0,0,1,1,0,0|2,0,0]=4 1231 B10R1.172 COC1=CC=CC(C=O)=C1 13614 [0,0,1,1,0,0|2,0,0]=4 1232 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 30935 [0,0,1,1,0,0|2,0,0]=4 1233 B10R1.176 CC1=C(C)C=C(C=O)C=C1 2535 [0,0,1,1,0,0|1,0,1]=4 1234 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 28400 [0,0,1,1,0,0|2,0,0]=4 1235 B10R1.176 CC1=C(F)C=CC(C=O)=C1 1457 [0,0,1,1,0,0|2,0,0]=4 1236 B10R1.176 CC1=C(O)C=CC(C=O)=C1 8134 [0,0,1,1,0,0|2,0,0]=4 1237 B10R1.176 COC1=CC(Br)=C(Br)C=C1 4110 [0,0,1,1,0,0|2,0,0]=4 1238 B10R1.176 COC1=CC(Br)=C(C)C=C1 24319 [0,0,1,1,0,0|1,0,1]=4 1239 B10R1.176 COC1=CC(Br)=C(Cl)C=C1 4555 [0,0,1,1,0,0|2,0,0]=4 1240 B10R1.176 COC1=CC(Br)=C(F)C=C1 28354 [0,0,1,1,0,0|2,0,0]=4 1241 B10R1.176 COC1=CC(Br)=C(N)C=C1 31003 [0,0,1,1,0,0|2,0,0]=4 1242 B10R1.176 COC1=CC(Br)=C(N)C=C1 4332 [0,0,1,1,0,0|2,0,0]=4 1243 B10R1.176 COC1=CC(Br)=C(O)C=C1 4135 [0,0,1,1,0,0|2,0,0]=4 1244 B10R1.176 COC1=CC(C)=C(Br)C=C1 3796 [0,0,1,1,0,0|2,0,0]=4 1245 B10R1.176 COC1=CC(C)=C(C)C=C1 5361 [0,0,1,1,0,0|1,0,1]=4 1246 B10R1.176 COC1=CC(C)=C(Cl)C=C1 2666 [0,0,1,1,0,0|2,0,0]=4 1247 B10R1.176 COC1=CC(C)=C(F)C=C1 2623 [0,0,1,1,0,0|2,0,0]=4 1248 B10R1.176 COC1=CC(C)=C(N)C=C1 28347 [0,0,1,1,0,0|2,0,0]=4 1249 B10R1.176 COC1=CC(C)=C(O)C=C1 31104 [0,0,1,1,0,0|2,0,0]=4 1250 B10R1.176 COC1=CC(C)=C(S)C=C1 6886 [0,0,1,1,0,0|2,0,0]=4 1251 B10R1.176 COC1=CC(Cl)=C(Br)C=C1 2631 [0,0,1,1,0,0|2,0,0]=4 1252 B10R1.176 COC1=CC(Cl)=C(C)C=C1 4101 [0,0,1,1,0,0|1,0,1]=4 1253 B10R1.176 COC1=CC(Cl)=C(Cl)C=C1 3683 [0,0,1,1,0,0|2,0,0]=4 1254 B10R1.176 COC1=CC(Cl)=C(F)C=C1 2660 [0,0,1,1,0,0|2,0,0]=4 1255 B10R1.176 COC1=CC(Cl)=C(I)C=C1 27614 [0,0,1,1,0,0|2,0,0]=4 1256 B10R1.176 COC1=CC(Cl)=C(N)C=C1 27577 [0,0,1,1,0,0|2,0,0]=4 1257 B10R1.176 COC1=CC(Cl)=C(O)C=C1 3663 [0,0,1,1,0,0|2,0,0]=4 1258 B10R1.176 COC1=CC(F)=C(Br)C=C1 1970 [0,0,1,1,0,0|2,0,0]=4 1259 B10R1.176 COC1=CC(F)=C(Br)C=C1 20025 [0,0,1,1,0,0|2,0,0]=4 1260 B10R1.176 COC1=CC(F)=C(C)C=C1 2621 [0,0,1,1,0,0|1,0,1]=4 1261 B10R1.176 COC1=CC(F)=C(Cl)C=C1 2663 [0,0,1,1,0,0|2,0,0]=4 1262 B10R1.176 COC1=CC(F)=C(F)C=C1 3457 [0,0,1,1,0,0|2,0,0]=4 1263 B10R1.176 COC1=CC(F)=C(N)C=C1 15755 [0,0,1,1,0,0|2,0,0]=4 1264 B10R1.176 COC1=CC(F)=C(O)C=C1 15011 [0,0,1,1,0,0|2,0,0]=4 1265 B10R1.176 COC1=CC(I)=C(Br)C=C1 5347 [0,0,1,1,0,0|2,0,0]=4 1266 B10R1.176 COC1=CC(I)=C(Cl)C=C1 5291 [0,0,1,1,0,0|2,0,0]=4 1267 B10R1.176 COC1=CC(I)=C(N)C=C1 10738 [0,0,1,1,0,0|2,0,0]=4 1268 B10R1.176 COC1=CC(N)=C(Br)C=C1 5335 [0,0,1,1,0,0|2,0,0]=4 1269 B10R1.176 COC1=CC(N)=C(Br)C=C1 5367 [0,0,1,1,0,0|2,0,0]=4 1270 B10R1.176 COC1=CC(N)=C(C)C=C1 19827 [0,0,1,1,0,0|1,0,1]=4 1271 B10R1.176 COC1=CC(N)=C(Cl)C=C1 3658 [0,0,1,1,0,0|2,0,0]=4 1272 B10R1.176 COC1=CC(N)=C(Cl)C=C1 3660 [0,0,1,1,0,0|2,0,0]=4 1273 B10R1.176 COC1=CC(N)=C(F)C=C1 15806 [0,0,1,1,0,0|2,0,0]=4 1274 B10R1.176 COC1=CC(N)=C(I)C=C1 31005 [0,0,1,1,0,0|2,0,0]=4 1275 B10R1.176 COC1=CC(N)=C(N)C=C1 28370 [0,0,1,1,0,0|2,0,0]=4 1276 B10R1.176 COC1=CC(N)=C(N)C=C1 28371 [0,0,1,1,0,0|2,0,0]=4 1277 B10R1.176 COC1=CC(O)=C(Br)C=C1 13262 [0,0,1,1,0,0|1,0,1]=4 1278 B10R1.176 COC1=CC(O)=C(C)C=C1 31114 [0,0,1,1,0,0|0,0,2]=4 1279 B10R1.176 COC1=CC(O)=C(Cl)C=C1 10217 [0,0,1,1,0,0|1,0,1]=4 1280 B10R1.176 COC1=CC(O)=C(F)C=C1 33440 [0,0,1,1,0,0|1,0,1]=4 1281 B10R1.176 COC1=CC(S)=C(N)C=C1 21901 [0,0,1,1,0,0|1,1,0]=4 1282 B10R1.176 COC1=CC=C(O)C(O)=C1 33439 [0,0,1,1,0,0|1,0,1]=4 1283 B10R1.176 COc1ccc(Br)c(N)c1 26521 [0,0,1,1,0,0|2,0,0]=4 1284 B10R2.7 B1OC2=C(C=CC=C2)O1 18191 [1,0,0,1,0,0|1,0,1]=4 1285 B10R2.7 C1=CC2=C(C=C1)OC=C2 7003 [1,0,0,1,0,0|0,0,1]=3 1286 B10R2.7 C1=CC2=C(C=C1)OC=N2 21884 [1,0,0,1,0,0|1,0,1]=4 1287 B10R2.7 C1=CC2=C(C=C1)OCC2 6931 [1,0,0,1,0,0|0,0,1]=3 1288 B10R2.7 C1=CC2=C(C=C1)OCO2 2537 [1,0,0,1,0,0|0,0,1]=3 1289 B10R2.7 C1=CC2=C(C=C1)SC=C2 13545 [1,0,0,1,0,0|0,1,1]=4 1290 B10R2.7 C1=CC=C2CC=CC2=C1 20728 [1,0,0,1,0,0|1,0,0]=3 1291 B10R2.7 C1=CC=C2CCCC2=C1 20379 [1,0,0,1,0,0|1,0,1]=4 1292 B10R2.7 C1=CC=C2CNCC2=C1 16248 [1,0,0,1,0,0|1,0,1]=4 1293 B10R2.7 C1=CC=C2CNCC2=C1 16512 [1,0,0,1,0,0|1,0,1]=4 1294 B10R2.7 C1=CC=C2CNCC2=C1 33470 [1,0,0,1,0,0|1,0,1]=4 1295 B10R2.7 C1=CC=C2NCCC2=C1 7502 [1,0,0,1,0,0|1,0,1]=4 1296 B10R2.7 C1=CC=C2NN=CC2=C1 15665 [1,0,0,1,0,0|2,0,0]=4 1297 B10R2.320 BrC1CC2=CC=CC=C21 36330 [1,0,0,1,0,0|1,0,1]=4 1298 B10R2.32 O=C1CCC2=C1C=CS2 18363 [0,0,0,1,1,0|2,0,0]=4 1299 B10R2.32 O=C1CCC2=C1SC=C2 18321 [0,0,0,1,1,0|2,0,0]=4 1300 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 22676 [0,1,0,1,0,0|2,0,0]=4 1301 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 17444 [0,1,0,1,0,0|2,0,0]=4 1302 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 3736 [0,1,0,1,0,0|2,0,0]=4 1303 B12R2.24 BrC1=CC=C2CCC=CC2=C1 25683 [0,1,0,1,0,0|2,0,0]=4 1304 B12R2.24 BrC1=CC=C2CCCOC2=C1 34276 [0,1,0,1,0,0|1,0,1]=4 1305 B12R2.24 BrC1=CC=C2OCCCC2=C1 34593 [0,1,0,1,0,0|1,0,1]=4 1306 B12R2.24 CC1=NC2=CC=CC=C2C=C1 5809 [0,1,0,1,0,0|2,0,0]=4 1307 B12R2.24 ClC1=CC2=C(C=C1)NCCO2 34210 [0,1,0,1,0,0|2,0,0]=4 1308 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 27891 [0,1,0,1,0,0|2,0,0]=4 1309 B12R2.24 NC1=CC2=C(C=C1)NCCO2 33680 [0,1,0,1,0,0|2,0,0]=4 1310 B12R2.24 NC1=CC2=C(C=C1)OCCO2 31954 [0,1,0,1,0,0|2,0,0]=4 1311 B12R2.24 O=C1C=CC2=CC=CC=C2O1 21620 [0,1,0,1,0,0|1,0,1]=4 1312 B12R2.24 O=C1CC2=CC=CC=C2CO1 22155 [0,1,0,1,0,0|2,0,0]=4 1313 B12R2.24 O=C1CCC2=CC=CC=C2C1 17934 [0,1,0,1,0,0|1,0,0]=3 1314 B12R2.24 O=C1COC2=C(C=CC=C2)N1 18791 [0,1,0,1,0,0|0,0,0]=2 1315 B12R2.24 O=C1COC2=CC=CC=C2C1 9704 [0,1,0,1,0,0|0,0,0]=2 1316 B12R2.24 OC1=CC2=C(C=C1)NCCO2 27735 [0,1,0,1,0,0|2,0,0]=4 1317 B12R2.24 OC1=CC2=C(C=C1)OCCN2 20876 [0,1,0,1,0,0|2,0,0]=4 1318 B12R2.24 OC1=CC=C2OCCCC2=C1 25609 [0,1,0,1,0,0|1,0,1]=4 1319 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 8851 [0,1,0,1,0,0|1,0,0]=3 1320 B12R2.132 CC1=COC2=C1C=C(Br)C=C2 32473 [0,1,0,1,0,0|1,0,1]=4 1321 B12R2.132 CN1N=CC2=CC=C(Br)C=C21 19529 [0,1,0,1,0,0|2,0,0]=4 1322 B12R2.132 CN1N=CC2=CC=C(I)C=C21 34478 [0,1,0,1,0,0|2,0,0]=4 1323 B12R2.132 NC1=CC=C2COC(=O)C2=C1 6988 [0,1,0,1,0,0|2,0,0]=4 1324 B12R2.132 NC1=NOC2=C1C=C(Br)C=C2 35091 [0,1,0,1,0,0|2,0,0]=4 1325 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 13783 [0,1,0,1,0,0|1,0,0]=3 1326 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 13778 [0,1,0,1,0,0|1,0,0]=3 1327 B12R2.132 O=C1CCC2=CC=C(F)C=C12 8856 [0,1,0,1,0,0|1,0,0]=3 1328 B12R2.132 O=C1CCC2=CC=C(I)C=C12 17865 [0,1,0,1,0,0|1,0,0]=3 1329 B12R2.132 O=C1CCC2=CC=C(O)C=C12 9660 [0,1,0,1,0,0|1,0,0]=3 1330 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 17377 [0,1,0,1,0,0|0,0,0]=2 1331 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 18004 [0,1,0,1,0,0|0,0,0]=2 1332 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 18005 [0,1,0,1,0,0|0,0,0]=2 1333 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 18003 [0,1,0,1,0,0|0,0,0]=2 1334 B12R2.132 O=C1NCC2=CC=C(Br)C=C12 27906 [0,1,0,1,0,0|2,0,0]=4 1335 B12R2.132 O=C1NCC2=CC=C(Cl)C=C12 16925 [0,1,0,1,0,0|2,0,0]=4 1336 B12R2.132 O=C1NOC2=C1C=C(Cl)C=C2 24257 [0,1,0,1,0,0|1,0,0]=3 1337 B12R2.132 O=C1OCC2=CC=C(Br)C=C12 22582 [0,1,0,1,0,0|2,0,0]=4 1338 B12R2.132 O=C1OCC2=CC=C(Cl)C=C12 22575 [0,1,0,1,0,0|2,0,0]=4 1339 B12R2.132 O=C1OCC2=CC=C(F)C=C12 22583 [0,1,0,1,0,0|2,0,0]=4 1340 B12R2.132 O=C1OCC2=CC=C(O)C=C12 22513 [0,1,0,1,0,0|2,0,0]=4 1341 B12R2.132 O=S1CNC2=C1C=C(Cl)C=C2 21833 [0,1,0,1,0,0|2,0,0]=4 1342 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 8850 [0,1,0,1,0,0|1,0,0]=3 1343 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 32472 [0,1,0,1,0,0|1,0,1]=4 1344 B12R2.612 CC1=NOC2=C1C=CC(Br)=C2 24259 [0,1,0,1,0,0|2,0,0]=4 1345 B12R2.612 CC1=NOC2=C1C=CC(Cl)=C2 26079 [0,1,0,1,0,0|2,0,0]=4 1346 B12R2.612 CN1C=CC2=CC(Br)=CC=C21 7946 [0,1,0,1,0,0|2,0,0]=4 1347 B12R2.612 CN1C=CC2=CC(Cl)=CC=C21 16045 [0,1,0,1,0,0|2,0,0]=4 1348 B12R2.612 CN1C=CC2=CC(F)=CC=C21 16044 [0,1,0,1,0,0|2,0,0]=4 1349 B12R2.612 CN1C=CC2=CC(N)=CC=C21 9381 [0,1,0,1,0,0|2,0,0]=4 1350 B12R2.612 CN1N=CC2=CC(N)=CC=C21 20587 [0,1,0,1,0,0|2,0,0]=4 1351 B12R2.612 ClC1=NOC2=C1C=CC(Br)=C2 27620 [0,1,0,1,0,0|2,0,0]=4 1352 B12R2.612 Cn1ncc2cc(Br)ccc21 16382 [0,1,0,1,0,0|2,0,0]=4 1353 B12R2.612 NC1=CC=C2C(=O)CCC2=C1 14476 [0,1,0,1,0,0|1,0,0]=3 1354 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 25145 [0,1,0,1,0,0|2,0,0]=4 1355 B12R2.612 NC1=CC=C2C(=O)OCC2=C1 25214 [0,1,0,1,0,0|2,0,0]=4 1356 B12R2.612 NC1COC2=C1C=CC(Br)=C2 17825 [0,1,0,1,0,0|1,0,1]=4 1357 B12R2.612 NC1COC2=C1C=CC(Br)=C2 23149 [0,1,0,1,0,0|1,0,1]=4 1358 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 8853 [0,1,0,1,0,0|1,0,0]=3 1359 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 2250 [0,1,0,1,0,0|1,0,0]=3 1360 B12R2.612 O=C1CCC2=CC(F)=CC=C12 2388 [0,1,0,1,0,0|1,0,0]=3 1361 B12R2.612 O=C1CCC2=CC(I)=CC=C12 17862 [0,1,0,1,0,0|1,0,0]=3 1362 B12R2.612 O=C1CCC2=CC(O)=CC=C12 8857 [0,1,0,1,0,0|1,0,0]=3 1363 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 17998 [0,1,0,1,0,0|0,0,0]=2 1364 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 17996 [0,1,0,1,0,0|0,0,0]=2 1365 B12R2.612 O=C1COC2=C1C=CC(I)=C2 22336 [0,1,0,1,0,0|0,0,0]=2 1366 B12R2.612 O=C1COC2=C1C=CC(O)=C2 28015 [0,1,0,1,0,0|0,0,0]=2 1367 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 35478 [0,1,0,1,0,0|2,0,0]=4 1368 B12R2.612 O=C1NCC2=CC(F)=CC=C12 31701 [0,1,0,1,0,0|2,0,0]=4 1369 B12R2.612 O=C1NCc2cc(O)ccc21 31625 [0,1,0,1,0,0|2,0,0]=4 1370 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 20699 [0,1,0,1,0,0|2,0,0]=4 1371 B12R2.612 OC1=NOC2=C1C=CC(Cl)=C2 11268 [0,1,0,1,0,0|1,0,1]=4 1372 B12R2.1 BrCC1=NOC2=C1C=CC=C2 26214 [0,1,0,1,0,0|2,0,0]=4 1373 B12R2.1 CON1C=NC2=C1C=CC=C2 8055 [0,1,0,1,0,0|2,0,0]=4 1374 B12R2.1 O=CC1=CNC2=CC=CC=C12 7247 [0,1,0,1,0,0|1,0,1]=4 1375 B12R2.1 O=CC1=CSC2=C1C=CC=C2 13543 [0,1,0,1,0,0|0,1,1]=4 1376 B12R2.1 O=CC1=NNC2=CC=CC=C21 11853 [0,1,0,1,0,0|2,0,0]=4 1377 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 7334 [0,1,0,1,0,0|2,0,0]=4 1378 B12R2.18 CC1=CC2=CC=CC=C2N1C 7333 [0,1,0,1,0,0|2,0,0]=4 1379 B12R2.18 CC1CC2=CC=CC=C2C1=O 2387 [0,1,0,1,0,0|1,0,0]=3 1380 B12R2.18 CN1C(S)=NC2=C1C=CC=C2 8070 [0,1,0,1,0,0|1,1,0]=4 1381 B12R2.18 CN1NC2=CC=CC=C2C1=O 27652 [0,1,0,1,0,0|1,0,0]=3 1382 B12R2.18 CN1SC2=C(C=CC=C2)C1=O 29423 [0,1,0,1,0,0|0,1,0]=3 1383 B12R2.18 Cn1c(=O)oc2ccccc21 8685 [0,1,0,1,0,0|1,0,0]=3 1384 B12R2.18 O=C1C2=CC=CC=C2CC1Br 8852 [0,1,0,1,0,0|1,0,0]=3 1385 B12R2.18 O=C1NC2=CC=CC=C2C1=O 13609 [0,1,0,1,0,0|1,0,1]=4 1386 B12R2.315 CCC1=C2NC=CC2=CC=C1 7338 [0,1,0,1,0,0|2,0,0]=4 1387 B12R2.315 COC1=C2C=CNC2=CC=C1 7433 [0,1,0,1,0,0|1,0,0]=3 1388 B12R2.315 COC1=C2C=CNC2=NC=C1 19358 [0,1,0,1,0,0|2,0,0]=4 1389 B12R2.315 COC1=C2C=NNC2=NC=C1 34848 [0,1,0,1,0,0|2,0,0]=4 1390 B12R2.315 COC1=C2CNCC2=CC=C1 17686 [0,1,0,1,0,0|1,0,1]=4 1391 B12R2.315 COC1=C2NC=CC2=CC=C1 7434 [0,1,0,1,0,0|1,0,0]=3 1392 B12R2.315 COC1=C2NC=CC2=CC=N1 18273 [0,1,0,1,0,0|2,0,0]=4 1393 B12R2.315 N#CC1=CC=CC2=C1OCO2 33672 [0,1,0,1,0,0|1,0,1]=4 1394 B12R2.315 O=CC1=C2C=CNC2=CC=C1 7170 [0,1,0,1,0,0|1,0,1]=4 1395 B12R2.315 O=CC1=C2C=COC2=CC=C1 28027 [0,1,0,1,0,0|1,0,1]=4 1396 B12R2.315 O=CC1=C2NC=CC2=CC=C1 7270 [0,1,0,1,0,0|1,0,1]=4 1397 B12R2.315 O=CC1=CC=CC2=C1C=CS2 33020 [0,1,0,1,0,0|1,0,1]=4 1398 B12R2.315 O=CC1=CC=CC2=C1C=NN2 22512 [0,1,0,1,0,0|2,0,0]=4 1399 B12R2.315 O=CC1=CC=CC2=C1OCC2 33772 [0,1,0,1,0,0|0,0,0]=2 1400 B12R2.315 O=CC1=CC=CC2=C1SC=C2 33019 [0,1,0,1,0,0|0,1,1]=4 1401 B12R2.1081 C=C1CCOC2=CC=CN=C12 19243 [0,1,0,1,0,0|2,0,0]=4 1402 B12R2.1081 CC1=NC=CC2=CC=CC=C21 17034 [0,1,0,1,0,0|2,0,0]=4 1403 B12R2.1081 FC1=CC=CC2=C1NCCO2 34402 [0,1,0,1,0,0|2,0,0]=4 1404 B12R2.1081 NC1=CC=CC2=C1OCCO2 34197 [0,1,0,1,0,0|2,0,0]=4 1405 B12R2.1081 NC1CCOC2=CC=CC=C21 27739 [0,1,0,1,0,0|1,0,1]=4 1406 B12R2.1081 NC1COCC2=CC=CC=C21 14613 [0,1,0,1,0,0|1,0,1]=4 1407 B12R2.1081 O=C1CCCC2=C1C=CC=N2 22315 [0,1,0,1,0,0|2,0,0]=4 1408 B12R2.1081 O=C1CCCC2=C1C=CN=C2 24238 [0,1,0,1,0,0|2,0,0]=4 1409 B12R2.1081 O=C1CCCC2=C1N=CC=C2 14090 [0,1,0,1,0,0|2,0,0]=4 1410 B12R2.1081 O=C1CCCC2=CC=CC=C12 13786 [0,1,0,1,0,0|1,0,0]=3 1411 B12R2.1081 O=C1CCNC2=CC=CC=C12 21010 [0,1,0,1,0,0|1,0,0]=3 1412 B12R2.1081 O=C1CCNC2=NC=CC=C12 16493 [0,1,0,1,0,0|2,0,0]=4 1413 B12R2.1081 O=C1CCOC2=CC=CC=C12 9708 [0,1,0,1,0,0|0,0,0]=2 1414 B12R2.1081 O=C1CCOC2=CC=CN=C12 19245 [0,1,0,1,0,0|1,0,0]=3 1415 B12R2.1081 O=C1N=NNC2=C1C=CC=C2 14541 [0,1,0,1,0,0|2,0,0]=4 1416 B12R2.1081 O=C1NN=CC2=CC=CC=C12 14642 [0,1,0,1,0,0|2,0,0]=4 1417 B12R2.1081 O=C1NN=CC2=CC=CC=C12 33495 [0,1,0,1,0,0|2,0,0]=4 1418 B12R2.1081 O=C1OCCC2=CC=CC=C12 25692 [0,1,0,1,0,0|1,0,0]=3 1419 B12R2.1081 OC1=CC=CC2=C1OCCN2 27893 [0,1,0,1,0,0|2,0,0]=4 1420 B12R2.1081 OC1=CC=CC2=C1OCCO2 34482 [0,1,0,1,0,0|2,0,0]=4 1421 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 8833 [0,1,0,1,0,0|1,0,0]=3 1422 B12R2.2028 CN1C=C(Br)C2=CC=CC=C21 27908 [0,1,0,1,0,0|2,0,0]=4 1423 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 15713 [0,1,0,1,0,0|2,0,0]=4 1424 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 35955 [0,1,0,1,0,0|2,0,0]=4 1425 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 17494 [0,1,0,1,0,0|2,0,0]=4 1426 B12R2.2028 O=C1OC(Br)C2=CC=CC=C12 12493 [0,1,0,1,0,0|2,0,0]=4 1427 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 12453 [0,1,0,1,0,0|2,0,0]=4 1428 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 13972 [0,1,0,1,0,0|2,0,0]=4 1429 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 8834 [0,1,0,1,0,0|1,0,0]=3 1430 B12R2.196 CC1=COC2=C1C=CC=C2Br 32467 [0,1,0,1,0,0|1,0,1]=4 1431 B12R2.196 CN1C=CC2=C(N)C=CC=C21 9377 [0,1,0,1,0,0|2,0,0]=4 1432 B12R2.196 CN1N=CC2=C(Br)C=CC=C21 32558 [0,1,0,1,0,0|2,0,0]=4 1433 B12R2.196 CN1N=CC2=C1C=CC=C2O 28070 [0,1,0,1,0,0|2,0,0]=4 1434 B12R2.196 NC1=C2CNC(=O)C2=CC=C1 25126 [0,1,0,1,0,0|2,0,0]=4 1435 B12R2.196 NC1=C2COC(=O)C2=CC=C1 22580 [0,1,0,1,0,0|2,0,0]=4 1436 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 13784 [0,1,0,1,0,0|1,0,0]=3 1437 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 5340 [0,1,0,1,0,0|1,0,0]=3 1438 B12R2.196 O=C1CCC2=C(F)C=CC=C12 13785 [0,1,0,1,0,0|1,0,0]=3 1439 B12R2.196 O=C1CCC2=C(O)C=CC=C12 9659 [0,1,0,1,0,0|1,0,0]=3 1440 B12R2.196 O=C1COC2=C1C=CC=C2Cl 17867 [0,1,0,1,0,0|0,0,0]=2 1441 B12R2.196 O=C1COC2=C1C=CC=C2I 17884 [0,1,0,1,0,0|0,0,0]=2 1442 B12R2.196 O=C1NCC2=C(Br)C=CC=C12 22006 [0,1,0,1,0,0|2,0,0]=4 1443 B12R2.196 O=C1NCC2=C(Cl)C=CC=C12 25129 [0,1,0,1,0,0|2,0,0]=4 1444 B12R2.196 O=C1NCC2=C(F)C=CC=C12 25128 [0,1,0,1,0,0|2,0,0]=4 1445 B12R2.196 O=C1NCC2=C(O)C=CC=C12 25124 [0,1,0,1,0,0|2,0,0]=4 1446 B12R2.196 O=C1OCC2=C(Cl)C=CC=C12 19470 [0,1,0,1,0,0|2,0,0]=4 1447 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 19846 [0,1,0,1,0,0|1,0,0]=3 1448 B12R2.203 CN1N=CC2=CC=CC(Br)=C21 20892 [0,1,0,1,0,0|2,0,0]=4 1449 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 13776 [0,1,0,1,0,0|1,0,0]=3 1450 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 13780 [0,1,0,1,0,0|1,0,0]=3 1451 B12R2.203 O=C1CCC2=CC=CC(O)=C12 23254 [0,1,0,1,0,0|1,0,0]=3 1452 B12R2.203 O=C1COC2=C1C(Cl)=CC=C2 17974 [0,1,0,1,0,0|0,0,0]=2 1453 B12R2.203 O=C1COC2=C1C(F)=CC=C2 17972 [0,1,0,1,0,0|0,0,0]=2 1454 B12R2.203 O=C1COC2=C1C(I)=CC=C2 17978 [0,1,0,1,0,0|0,0,0]=2 1455 B12R2.203 O=C1NOC2=C1C(Cl)=CC=C2 17389 [0,1,0,1,0,0|1,0,0]=3 1456 B12R2.203 O=C1OCC2=CC=CC(Cl)=C12 19473 [0,1,0,1,0,0|2,0,0]=4 1457 B8R1.11 CC1=C(C=O)N=CN1 23016 [1,0,0,0,1,0|2,0,0]=4 1458 B8R1.11 CC1=C(C=O)SC=C1 5183 [1,0,0,0,1,0|1,0,0]=3 1459 B8R1.11 CC1=C(C=O)SC=C1 9495 [1,0,0,0,1,0|1,0,0]=3 1460 B8R1.11 CC1=C(C=O)SC=N1 8419 [1,0,0,0,1,0|2,0,0]=4 1461 B8R1.11 CC1=C(C=O)SC=N1 9927 [1,0,0,0,1,0|2,0,0]=4 1462 B8R1.11 CC1=NNC=C1C=O 16065 [1,0,0,0,1,0|2,0,0]=4 1463 B8R1.11 CN1C=CC=C1C=O 9617 [1,0,0,0,1,0|1,0,0]=3 1464 B8R1.11 CN1C=CN=C1C=O 7614 [1,0,0,0,1,0|2,0,0]=4 1465 B8R1.11 CN1C=NC=C1C=O 8047 [1,0,0,0,1,0|2,0,0]=4 1466 B8R1.11 CN1N=CC=C1C=O 16289 [1,0,0,0,1,0|2,0,0]=4 1467 B8R1.11 O=CC1=C(Br)C=CO1 7803 [1,0,0,0,1,0|2,0,0]=4 1468 B8R1.11 O=CC1=C(Br)C=CS1 5327 [1,0,0,0,1,0|2,0,0]=4 1469 B8R1.11 O=CC1=C(Br)SC=C1 27355 [1,0,0,0,1,0|2,0,0]=4 1470 B8R1.11 O=CC1=C(Cl)C=CS1 21836 [1,0,0,0,1,0|2,0,0]=4 1471 B8R1.11 O=CC1=C(Cl)SC=C1 33642 [1,0,0,0,1,0|2,0,0]=4 1472 B8R1.11 O=CC1=C(I)SC=C1 34866 [1,0,0,0,1,0|2,0,0]=4 1473 B8R1.11 O=CC1=CSC=C1Br 32438 [1,0,0,0,1,0|2,0,0]=4