0 B10R1.18 BrC(Br)=CC1=CC=CC=C1 CS16193 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 CC(=O)CC1=NC=CC=N1 MC429990 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.18 FC(F)OC1=CC=CC=C1 MC41385 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.18 FC(F)SC1=CC=CC=C1 MC428027 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.18 NC(=O)CC1=NC=CC=N1 CS17323 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.18 NC(=S)NC1=NC=CC=C1 MC427166 [0,0,0,0,0,0|3,1,0]=4 15 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.18 O=C(O)CC1=CC=CN=N1 MC103920 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.18 O=C(O)CC1=CN=CN=C1 CS10494 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.18 O=C(O)CC1=CN=NC=C1 MC103838 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [0,0,0,0,0,0|1,0,0]=1 23 B10R1.18 O=C(O)CC1=NC=CC=N1 MC102381 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.18 O=C(O)CC1=NC=NC=C1 MC113226 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [0,0,0,0,0,0|0,0,1]=1 26 B10R1.18 O=C([O-])CC1=CN=NC=C1 MC103839 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.18 O=[N+]([O-])NC1=NC=CC=C1 MC427288 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.8 Br[Zn]Cc1ccccc1 MC121333 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 CCCC1=CC=CN=C1 CS22402 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 CCNC1=CC=CC=C1 MC40913 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 CNCC1=CC=CC=C1 MC10559 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 CNCC1=CC=CC=C1 MC20323 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 CNCC1=CC=CC=C1 MC21006 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 CNCC1=CC=CN=C1 CS18846 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.8 COCC1=NC=CC=C1 CS20909 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [1,0,0,0,0,0|1,0,1]=3 38 B9R1.8 ClCCC1=CC=NC=C1 CS17913 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 FCCC1=CC=CC=C1 MC41557 [1,0,0,0,0,0|1,0,1]=3 40 B9R1.8 N#CCC1=CC=CN=C1 CS18407 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.8 N#CCC1=CC=NC=C1 CS20239 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.8 N#CCC1=NC=CC=C1 CS18926 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.8 NCCC1=CC=CC=C1 MC40983 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.8 NCCC1=CC=CN=C1 CS21892 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 NCCC1=NC=CC=C1 CS14064 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.8 NNCC1=CC=CC=C1 CS11006 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.8 NNCC1=CC=CC=C1 CS12127 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.8 NNCC1=CC=CN=C1 MC111189 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.8 NNCC1=CC=CN=C1 MC111240 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.8 NNCC1=CC=NC=C1 MC111241 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.8 NNCC1=NC=CC=C1 MC111239 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.8 NOCC1=CC=CC=C1 CS14063 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.8 O=C=NC1=CC=CC=C1 MC41051 [1,0,0,0,0,0|1,0,1]=3 54 B9R1.8 O=CCC1=CC=CN=C1 MC106360 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.8 O=CCC1=CC=NC=C1 MC106357 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.8 O=CCC1=NC=CC=N1 MC105911 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.8 O=CNC1=CC=CC=C1 MC40924 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.8 O=COC1=CC=CC=C1 MC40136 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.8 OCCC1=CC=CC=C1 MC40745 [1,0,0,0,0,0|0,0,1]=2 60 B9R1.8 OCCC1=CN=CN=C1 CS12401 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 ONCC1=CC=CC=C1 CS11753 [1,0,0,0,0,0|1,0,0]=2 62 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 MC10315 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 CS22844 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 MC428013 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 MC33116 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 CS19283 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 MC40002 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 MC20138 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.20 CC(=O)OC1=CC=C(I)C=C1 MC103137 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 MC433485 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS21084 [0,1,0,0,0,0|0,0,0]=1 72 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 MC429948 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS14692 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.20 FC(F)=CC1=CC=C(Br)C=C1 MC442082 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS21002 [0,1,0,0,0,0|0,0,0]=1 76 B11R1.20 NC1=CN=C(CC(=O)O)N=C1 MC444153 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.20 O=C(Cl)Oc1ccc(Br)cc1 MC434070 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.20 O=C(Cl)Oc1ccc(F)cc1 MC434069 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS20812 [0,1,0,0,0,0|0,0,0]=1 80 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 MC40158 [0,1,0,0,0,0|0,0,0]=1 81 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 CS10817 [0,1,0,0,0,0|0,0,0]=1 82 B11R1.20 O=C(O)CC1=CC=C(F)N=C1 MC429488 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 CS20852 [0,1,0,0,0,0|0,0,0]=1 84 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 MC40180 [0,1,0,0,0,0|0,0,0]=1 85 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 MC40184 [0,1,0,0,0,0|0,0,0]=1 86 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 CS13319 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.20 O=C(O)CC1=NC=C(Br)C=N1 CS12143 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 CS14073 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 CS14652 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 CS19083 [0,1,0,0,0,0|0,0,1]=2 91 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS10890 [0,1,0,0,0,0|0,0,0]=1 92 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS14544 [0,1,0,0,0,0|0,0,0]=1 93 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 MC427369 [0,1,0,0,0,0|2,1,0]=4 94 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 CS15488 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.36 NC(=O)C(N)c1ccccc1 MC438104 [0,1,0,0,0,0|1,0,0]=2 96 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 CS15858 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS11192 [0,1,0,0,0,0|0,0,0]=1 98 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS14083 [0,1,0,0,0,0|0,0,0]=1 99 B11R1.36 NC(C(=O)O)c1ccccc1 MC438102 [0,1,0,0,0,0|0,0,0]=1 100 B11R1.36 NC(C(=O)O)c1ccccc1 MC438103 [0,1,0,0,0,0|0,0,0]=1 101 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10861 [0,1,0,0,0,0|0,0,0]=1 102 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10862 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS15279 [0,1,0,0,0,0|0,0,0]=1 104 B11R1.40 C#CC(O)CC1=CC=CC=C1 MC425691 [0,1,0,0,0,0|1,0,1]=3 105 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.40 COC(=O)CC1=CC=CN=N1 MC103761 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.40 COC(=O)CC1=CN=NC=C1 MC101903 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.40 COC(=O)CC1=NC=NC=C1 MC104059 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.40 NC(CO)CC1=CC=CC=C1 CS21216 [0,1,0,0,0,0|1,0,1]=3 110 B11R1.40 NC(CO)CC1=CC=CC=C1 MC425862 [0,1,0,0,0,0|1,0,1]=3 111 B11R1.40 NNC(=O)CC1=CC=NC=C1 CS21751 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,1,0,0,0,0|0,0,0]=1 113 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 MC10294 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 MC10318 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 MC427446 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 CS21203 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.86 CC(=O)NC1=NC=CC=C1O MC427313 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.86 CC(=O)OC1=C(C)C=CC=C1 MC40007 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.86 CC(=S)NC1=C(Br)C=CC=C1 MC427451 [0,1,0,0,0,0|2,1,0]=4 120 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 CS21083 [0,1,0,0,0,0|0,0,0]=1 121 B11R1.86 NC(=S)NC1=C(Br)C=CC=C1 MC427415 [0,1,0,0,0,0|2,1,0]=4 122 B11R1.86 NC(=S)NC1=C(F)C=CC=C1 MC33179 [0,1,0,0,0,0|2,1,0]=4 123 B11R1.86 NC1=C(CC(=O)O)C=CC=C1 CS20995 [0,1,0,0,0,0|0,0,0]=1 124 B11R1.86 NC1=C(CC(=O)O)C=NC=C1 MC111253 [0,1,0,0,0,0|1,0,0]=2 125 B11R1.86 NC1=[N+](CC(=O)[O-])C=CC=C1 CS18077 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 CS20809 [0,1,0,0,0,0|0,0,0]=1 127 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 CS20826 [0,1,0,0,0,0|0,0,0]=1 128 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 MC429403 [0,1,0,0,0,0|0,0,0]=1 129 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 CS20849 [0,1,0,0,0,0|0,0,0]=1 130 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 CS20941 [0,1,0,0,0,0|0,0,0]=1 131 B11R1.86 O=C(O)CC1=CC=CN=C1F MC429275 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.86 O=C(O)CC1=CC=CNC1=O MC430201 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.86 O=C(O)CC1=NC=CC=C1Cl CS19561 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.86 O=C(O)CC1=NC=CC=C1F MC431700 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.86 O=C(O)CC1=NC=CC=C1F MC432211 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.86 O=C(O)CC1=NC=CN=C1Cl MC104770 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS22187 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 CS11707 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 MC33114 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 CS22093 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 CS16776 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.157 CC(=O)NC1=NC=CC(Cl)=C1 CS11715 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.157 CC(=O)OC1=CC(Br)=CC=C1 MC40001 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.157 CC(=O)OC1=CC(C)=CC=C1 MC40008 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 MC40004 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 MC443308 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 MC431740 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 MC113627 [0,1,0,0,0,0|1,0,1]=3 149 B11R1.157 CN(C)CC1=CC=CC(O)=C1 MC425485 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.157 Cc1cccc(CC(=O)O)c1 MC433961 [0,1,0,0,0,0|0,0,0]=1 151 B11R1.157 FC(F)=CC1=CC=CC(Br)=C1 MC442083 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.157 NC(=S)NC1=CC(Br)=CC=C1 MC427249 [0,1,0,0,0,0|2,1,0]=4 153 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 CS21911 [0,1,0,0,0,0|0,0,0]=1 154 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 CS10775 [0,1,0,0,0,0|0,0,0]=1 155 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 CS21923 [0,1,0,0,0,0|0,0,0]=1 156 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 MC40173 [0,1,0,0,0,0|0,0,0]=1 157 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 MC431564 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.157 O=C(O)CC1=CC(F)=NC=C1 MC430121 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 CS20851 [0,1,0,0,0,0|0,0,0]=1 160 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 CS20944 [0,1,0,0,0,0|0,0,0]=1 161 B11R1.157 O=C(O)CC1=NC(Cl)=CC=C1 CS12801 [0,1,0,0,0,0|1,0,0]=2 162 B11R1.157 O=C(O)CC1=NC(Cl)=CN=C1 CS12495 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CS11014 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 MC20424 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 CS20418 [0,1,0,0,0,0|1,0,1]=3 166 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 CS20295 [0,1,0,0,0,0|1,0,1]=3 167 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 MC428333 [0,1,0,0,0,0|1,0,1]=3 168 B11R2.4 NC1CC1C2=CC=CC=C2 MC100890 [0,0,0,1,0,0|2,0,1]=4 169 B11R2.4 NC1CC1C2=CC=CC=C2 MC106461 [0,0,0,1,0,0|2,0,1]=4 170 B11R2.10 BrC1=CC2=CC=CC=C2C1 CS21490 [0,0,0,1,0,0|2,0,0]=3 171 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 CS21331 [0,0,0,1,0,0|3,0,0]=4 172 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 MC442524 [0,0,0,1,0,0|2,0,0]=3 173 B11R2.10 BrC1=NC2=C(C=CC=C2)S1 CS14031 [0,0,0,1,0,0|2,1,0]=4 174 B11R2.10 CC1=CC2=CC=CC=C2C1 CS11052 [0,0,0,1,0,0|2,0,0]=3 175 B11R2.10 CC1=CC2=CC=CC=C2N1 CS18563 [0,0,0,1,0,0|2,0,1]=4 176 B11R2.10 CC1=NC2=C(C=CC=C2)N1 CS15288 [0,0,0,1,0,0|3,0,0]=4 177 B11R2.10 CC1=NC2=C(C=CC=C2)O1 MC31235 [0,0,0,1,0,0|2,0,0]=3 178 B11R2.10 CC1=NC2=C(C=CC=C2)S1 CS21687 [0,0,0,1,0,0|2,1,0]=4 179 B11R2.10 CC1=NC2=NC=CC=C2O1 MC445727 [0,0,0,1,0,0|3,0,0]=4 180 B11R2.10 CC1CC2=CC=CC=C2N1 MC105455 [0,0,0,1,0,0|2,0,1]=4 181 B11R2.10 CC1CC2=CC=CC=C2N1 MC445120 [0,0,0,1,0,0|2,0,1]=4 182 B11R2.10 ClC1=CC2=CC=CC=C2N1 MC444183 [0,0,0,1,0,0|2,0,1]=4 183 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 CS21427 [0,0,0,1,0,0|3,0,0]=4 184 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 MC31172 [0,0,0,1,0,0|2,0,0]=3 185 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 CS20002 [0,0,0,1,0,0|2,1,0]=4 186 B11R2.10 ClC1=NC2=CC=CN=C2O1 MC442529 [0,0,0,1,0,0|3,0,0]=4 187 B11R2.10 ClC1=NC2=NC=CC=C2O1 MC115944 [0,0,0,1,0,0|3,0,0]=4 188 B11R2.10 NC1=CC2=C(C=CC=C2)S1 CS12846 [0,0,0,1,0,0|1,1,1]=4 189 B11R2.10 NC1=NC2=C(C=CC=C2)N1 CS16315 [0,0,0,1,0,0|3,0,0]=4 190 B11R2.10 NC1=NC2=C(C=CC=C2)O1 MC31149 [0,0,0,1,0,0|2,0,0]=3 191 B11R2.10 NC1=NC2=C(C=CC=C2)S1 MC41744 [0,0,0,1,0,0|2,1,0]=4 192 B11R2.10 NC1=NC2=C(C=CN=C2)O1 CS16592 [0,0,0,1,0,0|3,0,0]=4 193 B11R2.10 NC1=NC2=C(C=NC=C2)O1 MC443260 [0,0,0,1,0,0|3,0,0]=4 194 B11R2.10 NC1=NC2=CC=CN=C2O1 MC113797 [0,0,0,1,0,0|3,0,0]=4 195 B11R2.10 NC1=NC2=CC=CN=C2O1 MC442528 [0,0,0,1,0,0|3,0,0]=4 196 B11R2.10 NC1CC2=CC=CC=C2C1 CS19882 [0,0,0,1,0,0|2,0,1]=4 197 B11R2.10 NN1CC2=CC=CC=C2C1 MC442461 [0,0,0,1,0,0|3,0,0]=4 198 B11R2.10 O=C1CC2=C(C=CC=C2)O1 MC20944 [0,0,0,1,0,0|0,0,0]=1 199 B11R2.10 O=C1CC2=C(N=CN=C2)N1 MC101998 [0,0,0,1,0,0|3,0,0]=4 200 B11R2.10 O=C1CC2=CC=CC=C2C1 CS16080 [0,0,0,1,0,0|1,0,0]=2 201 B11R2.10 O=C1CC2=CC=CC=C2N1 CS15184 [0,0,0,1,0,0|1,0,0]=2 202 B11R2.10 O=C1CC2=CC=NC=C2N1 MC100071 [0,0,0,1,0,0|2,0,0]=3 203 B11R2.10 O=C1CC2=NC=CC=C2O1 MC106428 [0,0,0,1,0,0|1,0,0]=2 204 B11R2.10 O=C1CN2C=CC=CC2=N1 MC427358 [0,0,0,1,0,0|2,0,0]=3 205 B11R2.10 O=C1NC2=C(C=CC=C2)O1 CS15190 [0,0,0,1,0,0|1,0,0]=2 206 B11R2.10 O=C1NC2=CC=CN=C2N1 CS20518 [0,0,0,1,0,0|3,0,0]=4 207 B11R2.10 O=C1NC2=NC=CC=C2O1 CS18902 [0,0,0,1,0,0|2,0,0]=3 208 B11R2.10 O=C1OC2=C(C=CC=C2)O1 CS10973 [0,0,0,1,0,0|1,0,0]=2 209 B11R2.10 OC1=CN2C=CC=CC2=N1 CS15598 [0,0,0,1,0,0|2,0,1]=4 210 B11R2.10 OC1=NC2=C(C=CC=C2)N1 CS20242 [0,0,0,1,0,0|2,0,0]=3 211 B11R2.10 OC1=NC2=C(C=NC=C2)N1 MC425145 [0,0,0,1,0,0|3,0,0]=4 212 B11R2.10 OC1=NN2C=CC=CC2=C1 MC106909 [0,0,0,1,0,0|2,0,1]=4 213 B11R2.10 OC1CC2=CC=CC=C2C1 CS21608 [0,0,0,1,0,0|1,0,1]=3 214 B11R2.10 ON1CC2=CC=CC=C2C1 MC41790 [0,0,0,1,0,0|2,0,0]=3 215 B11R2.10 SC1=NC2=C(C=CC=C2)N1 MC20678 [0,0,0,1,0,0|2,1,0]=4 216 B11R2.10 SC1=NC2=C(C=CC=C2)O1 MC20463 [0,0,0,1,0,0|1,1,0]=3 217 B11R2.238 C1=CC=C(CC2CN2)C=C1 CS19482 [0,0,0,1,0,0|2,0,1]=4 218 B9R1.6 C=C(C)C1=CC=NC=C1 MC111872 [0,0,0,0,1,0|3,0,0]=4 219 B9R1.6 C=C(F)C1=CC=CC=C1 MC102770 [0,0,0,0,1,0|2,0,0]=3 220 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [0,0,0,0,1,0|1,0,0]=2 221 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [0,0,0,0,1,0|2,0,0]=3 222 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [0,0,0,0,1,0|3,0,0]=4 223 B9R1.6 CC(=O)C1=CC=NC=C1 CS22535 [0,0,0,0,1,0|2,0,0]=3 224 B9R1.6 CC(=O)C1=CN=CN=C1 MC444371 [0,0,0,0,1,0|3,0,0]=4 225 B9R1.6 CC(=O)C1=CN=NC=C1 MC444309 [0,0,0,0,1,0|3,0,0]=4 226 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [0,0,0,0,1,0|2,0,0]=3 227 B9R1.6 CC(=O)C1=NC=CC=N1 MC444159 [0,0,0,0,1,0|3,0,0]=4 228 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [0,0,0,0,1,0|3,0,0]=4 229 B9R1.6 CC(=O)C1=NC=NC=C1 MC442362 [0,0,0,0,1,0|3,0,0]=4 230 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [0,0,0,0,1,0|2,0,1]=4 231 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [0,0,0,0,1,0|2,0,1]=4 232 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [0,0,0,0,1,0|2,0,1]=4 233 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [0,0,0,0,1,0|1,0,1]=3 234 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [0,0,0,0,1,0|2,0,1]=4 235 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [0,0,0,0,1,0|2,0,1]=4 236 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [0,0,0,0,1,0|3,0,0]=4 237 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [0,0,0,0,1,0|2,0,0]=3 238 B9R1.6 ClC(Cl)C1=CC=CC=C1 MC40608 [0,0,0,0,1,0|2,0,1]=4 239 B9R1.6 FC(F)C1=CC=CC=C1 MC41442 [0,0,0,0,1,0|2,0,1]=4 240 B9R1.6 N=C(N)C1=CC=CC=C1 CS14830 [0,0,0,0,1,0|2,0,0]=3 241 B9R1.6 N=C(N)C1=CN=CC=C1 CS19487 [0,0,0,0,1,0|3,0,0]=4 242 B9R1.6 N=C(N)C1=NC=CC=C1 CS19100 [0,0,0,0,1,0|3,0,0]=4 243 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [0,0,0,0,1,0|1,0,0]=2 244 B9R1.6 NC(=O)C1=CC=NC=C1 CS13721 [0,0,0,0,1,0|2,0,0]=3 245 B9R1.6 NC(=O)C1=NC=CC=C1 CS11910 [0,0,0,0,1,0|2,0,0]=3 246 B9R1.6 NC(=O)C1=NC=CN=C1 CS13379 [0,0,0,0,1,0|3,0,0]=4 247 B9R1.6 NC(=O)C1=NC=CN=C1 MC427375 [0,0,0,0,1,0|3,0,0]=4 248 B9R1.6 NC(=S)C1=CC=CC=C1 MC20863 [0,0,0,0,1,0|1,1,0]=3 249 B9R1.6 O=C(Cl)C1=CC=CC=C1 MC40435 [0,0,0,0,1,0|1,0,0]=2 250 B9R1.6 O=C(Cl)C1=NC=CC=C1 CS11857 [0,0,0,0,1,0|2,0,0]=3 251 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [0,0,0,0,1,0|0,0,0]=1 252 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [0,0,0,0,1,0|1,0,0]=2 253 B9R1.6 O=C(O)C1=CC=CN=N1 CS19741 [0,0,0,0,1,0|2,0,0]=3 254 B9R1.6 O=C(O)C1=CN=CN=C1 CS17525 [0,0,0,0,1,0|2,0,0]=3 255 B9R1.6 O=C(O)C1=CN=NC=C1 MC41706 [0,0,0,0,1,0|2,0,0]=3 256 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [0,0,0,0,1,0|1,0,0]=2 257 B9R1.6 O=C(O)C1=NC=CC=N1 CS18229 [0,0,0,0,1,0|2,0,0]=3 258 B9R1.6 O=C(O)C1=NC=CN=C1 CS17531 [0,0,0,0,1,0|2,0,0]=3 259 B9R1.6 O=C(O)C1=NC=NC=C1 CS14129 [0,0,0,0,1,0|2,0,0]=3 260 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 MC41586 [0,0,0,0,1,0|1,0,1]=3 261 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 CS22384 [0,0,0,0,1,0|2,0,1]=4 262 B9R1.6 OB(O)C1=CC=CC=C1 CS19450 [0,0,0,0,1,0|1,0,1]=3 263 B9R1.6 OB(O)C1=CC=CN=C1 CS17797 [0,0,0,0,1,0|2,0,1]=4 264 B9R1.6 OB(O)C1=CC=NC=C1 CS22018 [0,0,0,0,1,0|2,0,1]=4 265 B9R1.6 OB(O)C1=NC=CC=C1 MC20201 [0,0,0,0,1,0|2,0,1]=4 266 B9R1.13 O=C(O)CC1=CC=CS1 CS23025 [0,0,0,0,1,0|1,0,0]=2 267 B9R1.13 O=C(O)CC1=CN=CN1 CS22764 [0,0,0,0,1,0|2,0,0]=3 268 B9R1.13 O=C(O)CC1=CN=CS1 MC105966 [0,0,0,0,1,0|2,0,0]=3 269 B9R1.13 O=C(O)CC1=CNC=C1 MC106680 [0,0,0,0,1,0|1,0,0]=2 270 B9R1.13 O=C(O)CC1=NC=CN1 MC106507 [0,0,0,0,1,0|2,0,0]=3 271 B9R1.13 O=C(O)CC1=NNC=N1 MC103734 [0,0,0,0,1,0|3,0,0]=4 272 B9R1.13 O=C(O)CN1C=CN=C1 CS22762 [0,0,0,0,1,0|2,0,0]=3 273 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [0,0,0,0,0,1|1,0,0]=2 274 B11R1.91 CC(=O)NCC1=CN=CN=C1 MC105786 [0,0,0,0,0,1|3,0,0]=4 275 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [0,0,0,0,0,1|2,0,0]=3 276 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [0,0,0,0,0,1|3,0,0]=4 277 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [0,0,0,0,0,1|1,0,0]=2 278 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS21725 [0,0,0,0,0,1|1,0,1]=3 279 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [0,0,0,0,0,1|1,0,0]=2 280 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS10957 [0,0,0,0,0,1|0,0,1]=2 281 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425129 [0,0,0,0,0,1|1,0,0]=2 282 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425915 [0,0,0,0,0,1|1,0,0]=2 283 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [0,0,0,0,0,1|0,0,0]=1 284 B11R1.91 O=C(O)COC1=CC=NC=C1 MC443726 [0,0,0,0,0,1|1,0,0]=2 285 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [0,0,0,0,0,1|0,0,1]=2 286 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20186 [0,0,0,0,0,1|1,0,1]=3 287 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20799 [0,0,0,0,0,1|1,0,1]=3 288 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [0,0,0,0,0,1|1,0,1]=3 289 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 MC443830 [0,0,0,0,0,1|1,0,2]=4 290 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 MC442565 [0,0,0,0,0,1|1,0,2]=4 291 B8R1.2 BrCC1=CC=NC=C1 CS22459 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.2 BrCC1=CC=NC=C1 MC111773 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.2 C#CC1=CC=CC=C1 CS19127 [2,0,0,0,0,0|0,0,2]=4 294 B8R1.2 CCC1=CC=CC=C1 MC41556 [2,0,0,0,0,0|0,0,1]=3 295 B8R1.2 CCC1=CC=CN=C1 CS22277 [2,0,0,0,0,0|1,0,1]=4 296 B8R1.2 CNC1=CC=CC=C1 CS11792 [2,0,0,0,0,0|1,0,1]=4 297 B8R1.2 COC1=CC=CC=C1 MC41309 [2,0,0,0,0,0|1,0,1]=4 298 B8R1.2 CSC1=CC=CC=C1 MC439137 [2,0,0,0,0,0|1,0,1]=4 299 B8R1.2 ClCC1=CC=CN=C1 CS19291 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.2 ClCC1=NC=CC=C1 CS19289 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.2 ICC1=CC=CC=C1 CS11000 [2,0,0,0,0,0|1,0,0]=3 302 B8R1.2 ICC1=CC=CN=C1 MC430640 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.2 I[Zn]c1ccccc1 MC121332 [2,0,0,0,0,0|2,0,0]=4 304 B8R1.2 N#CC1=CC=CC=C1 MC40623 [2,0,0,0,0,0|1,0,1]=4 305 B8R1.2 N#Cc1ccccc1 CS13696 [2,0,0,0,0,0|1,0,1]=4 306 B8R1.2 NCC1=CC=CC=C1 MC40797 [2,0,0,0,0,0|1,0,0]=3 307 B8R1.2 NCC1=CC=CN=C1 CS14226 [2,0,0,0,0,0|2,0,0]=4 308 B8R1.2 NCC1=CC=NC=C1 CS11906 [2,0,0,0,0,0|2,0,0]=4 309 B8R1.2 NCC1=CC=NC=C1 CS19023 [2,0,0,0,0,0|2,0,0]=4 310 B8R1.2 NNC1=CC=CC=C1 CS15210 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.2 NNC1=CC=CC=C1 MC427075 [2,0,0,0,0,0|2,0,0]=4 312 B8R1.2 O=CC1=CC=CN=N1 MC121079 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.2 O=CC1=CN=CC=C1 CS19090 [2,0,0,0,0,0|1,0,0]=3 314 B8R1.2 O=CC1=CN=CN=C1 CS19643 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.2 O=CC1=CN=NC=C1 MC444362 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.2 O=CC1=NC=CC=C1 CS18610 [2,0,0,0,0,0|1,0,0]=3 317 B8R1.2 O=CC1=NC=CC=N1 MC444571 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.2 O=CC1=NC=CN=C1 CS18375 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.2 O=NC1=CC=CC=C1 MC33163 [2,0,0,0,0,0|1,0,0]=3 320 B8R1.2 OCC1=CC=CC=C1 MC40684 [2,0,0,0,0,0|0,0,0]=2 321 B8R1.2 OCC1=CC=CN=C1 CS22409 [2,0,0,0,0,0|1,0,0]=3 322 B8R1.2 OCC1=CC=CN=N1 CS21870 [2,0,0,0,0,0|2,0,0]=4 323 B8R1.2 OCC1=CC=NC=C1 CS19163 [2,0,0,0,0,0|1,0,0]=3 324 B8R1.2 OCC1=CN=CN=C1 MC444370 [2,0,0,0,0,0|2,0,0]=4 325 B8R1.2 OCC1=CN=NC=C1 MC444363 [2,0,0,0,0,0|2,0,0]=4 326 B8R1.2 OCC1=NC=CC=C1 CS19164 [2,0,0,0,0,0|1,0,0]=3 327 B8R1.2 OCC1=NC=CC=N1 CS19924 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.2 OCC1=NC=CN=C1 CS21749 [2,0,0,0,0,0|2,0,0]=4 329 B8R1.2 OCC1=NC=NC=C1 CS11915 [2,0,0,0,0,0|2,0,0]=4 330 B10R1.1 Br[Zn]Cc1ccc(Br)cc1 MC121353 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.1 C=COC1=CC=C(I)C=C1 MC103309 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.1 CC1=CC=C(CC#N)C=C1 CS21709 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.1 CC1=CC=C(CCBr)C=C1 CS19977 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.1 CC1=CC=C(CCN)C=C1 CS18979 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.1 CC1=CC=C(CCO)C=C1 MC40744 [1,1,0,0,0,0|0,0,1]=3 336 B10R1.1 CC1=CC=C(CNN)C=C1 CS20201 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.1 CCCC1=CC=C(Br)C=C1 CS10896 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.1 CNCC1=CC=C(Br)C=C1 CS19272 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.1 CNCC1=CC=C(C)C=C1 CS11795 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.1 ClC1=CC=C(CCBr)C=C1 CS10835 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.1 ClCCC1=CC=C(Cl)C=C1 MC433885 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.1 FC1=CC=C(CCBr)C=C1 CS10866 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.1 Fc1ccc(C[Zn]Cl)cc1 MC121346 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.1 N#CCC1=CC=C(Br)C=C1 CS20687 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.1 N#CCC1=CC=C(Cl)C=C1 MC20790 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.1 N#CCC1=CC=C(F)C=C1 CS14479 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.1 N#CCC1=CC=C(I)C=C1 MC40782 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.1 N#CCC1=CC=C(N)C=C1 MC40751 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.1 NC1=CC=C(CCO)C=C1 CS13450 [1,1,0,0,0,0|0,0,1]=3 350 B10R1.1 NCCC1=CC=C(Br)C=C1 CS19296 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.1 NCCC1=CC=C(Cl)C=C1 MC40975 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.1 NCCC1=CC=C(F)C=C1 CS13766 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.1 NCCC1=CC=C(N)C=C1 MC33045 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.1 NCCC1=CC=C(O)C=C1 CS22315 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.1 NNCC1=CC=C(F)C=C1 CS17057 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.1 O=C=NC1=CC=C(Br)C=C1 MC41032 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.1 O=C=NC1=CC=C(F)C=C1 MC33036 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.1 O=CCC1=CC=C(Br)C=C1 CS18203 [1,1,0,0,0,0|0,0,0]=2 359 B10R1.1 O=CNC1=CC=C(Cl)C=C1 MC103067 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.1 OCCC1=CC=C(Br)C=C1 CS14491 [1,1,0,0,0,0|0,0,1]=3 361 B10R1.1 OCCC1=CC=C(Cl)C=C1 CS22791 [1,1,0,0,0,0|0,0,1]=3 362 B10R1.1 OCCC1=CC=C(F)C=C1 MC33200 [1,1,0,0,0,0|0,0,1]=3 363 B10R1.1 OCCC1=CC=C(I)C=C1 CS12086 [1,1,0,0,0,0|0,0,1]=3 364 B10R1.1 OCCC1=CC=C(O)C=C1 CS20458 [1,1,0,0,0,0|0,0,1]=3 365 B10R1.1 OCCC1=NC=C(Br)C=C1 MC102395 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.4 Br[Zn]Cc1ccccc1Br MC121351 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.4 CC1=C(CC#N)C=CC=C1 CS11825 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.4 CNCC1=C(F)C=CC=C1 MC40828 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.4 COCC1=C(Br)C=CC=C1 MC41399 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.4 Fc1ccccc1C[Zn]Cl MC121344 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.4 N#CCC1=C(Br)C=CC=C1 CS10707 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.4 N#CCC1=C(Cl)C=CC=C1 CS21495 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.4 N#CCC1=C(F)C=CC=C1 CS20772 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.4 N#CCC1=C(I)C=CC=C1 MC40781 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.4 N#CCC1=C(N)C=CC=C1 CS20914 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.4 NCCC1=C(Br)C=CC=C1 CS15138 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.4 NCCC1=C(F)C=CC=C1 CS14793 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.4 NCCC1=C(N)C=CC=C1 CS15970 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.4 NNCC1=C(F)C=CC=C1 CS20134 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.4 NNCc1ccccc1F MC443842 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.4 O=C=NC1=C(Br)C=CC=C1 MC41031 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.4 O=C=NC1=C(F)C=CC=C1 MC429405 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.4 O=CCC1=C(F)C=CC=C1 MC431003 [1,1,0,0,0,0|0,0,0]=2 384 B10R1.4 OC1=C(CCI)C=CC=C1 MC430321 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.4 OCCC1=C(Br)C=CC=C1 CS21407 [1,1,0,0,0,0|0,0,1]=3 386 B10R1.4 OCCC1=C(Cl)C=CC=C1 MC40737 [1,1,0,0,0,0|0,0,1]=3 387 B10R1.4 OCCC1=C(F)C=CC=C1 MC33149 [1,1,0,0,0,0|0,0,1]=3 388 B10R1.4 O\N=C\C1=C(F)C=CC=C1 MC106948 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.4 O\N=C\C1=C(F)C=CC=C1 MC433456 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.10 Br[Zn]Cc1cccc(Br)c1 MC121352 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.10 C=CCC1=CC=CC(O)=C1 MC425380 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.10 CC1=CC(CC#N)=CC=C1 CS18941 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.10 CC1=CC(CCO)=CC=C1 CS22372 [1,1,0,0,0,0|0,0,1]=3 394 B10R1.10 CCCc1cccc(F)c1 MC440476 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.10 FC1=CC=CC(CCBr)=C1 MC40572 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.10 Fc1cccc(C[Zn]Cl)c1 MC121345 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.10 N#CCC1=CC(Br)=CC=C1 CS18969 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.10 N#CCC1=CC(Cl)=CC=C1 CS13745 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.10 N#CCC1=CC(F)=CC=C1 MC20212 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.10 N#CCC1=CC(N)=CC=C1 MC433930 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.10 NC1=CC=CC(CCO)=C1 CS22105 [1,1,0,0,0,0|0,0,1]=3 402 B10R1.10 NCCC1=CC(Br)=CC=C1 CS15159 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.10 NCCC1=CC(F)=CC=C1 MC40979 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.10 NNCC1=CC(O)=CC=C1 MC10382 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.10 O=C=NC1=CC(F)=CC=C1 MC41043 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.10 O=CCC1=CC(O)=CC=C1 MC106361 [1,1,0,0,0,0|0,0,0]=2 407 B10R1.10 OCCC1=CC(Br)=CC=C1 CS22186 [1,1,0,0,0,0|0,0,1]=3 408 B10R1.10 OCCC1=CC(Cl)=CC=C1 CS22241 [1,1,0,0,0,0|0,0,1]=3 409 B10R1.10 OCCC1=CC(F)=CC=C1 MC40743 [1,1,0,0,0,0|0,0,1]=3 410 B10R1.15 C=CC(N)C1=CC=CC=C1 MC102512 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.15 CC(CN)C1=CC=CC=C1 CS10909 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.15 CC(CN)c1ccccc1 MC110750 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.15 CC(NO)c1ccccc1 MC103844 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.15 CC(NO)c1ccccc1 MC103845 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [1,1,0,0,0,0|1,0,1]=4 417 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.15 FC(CBr)C1=CC=CC=C1 MC102769 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.15 N#CC(N)C1=CC=CC=C1 MC31161 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.15 NC(CO)C1=CC=CC=C1 CS10553 [1,1,0,0,0,0|0,0,1]=3 422 B10R1.15 NC(CO)C1=CC=CC=C1 CS10555 [1,1,0,0,0,0|0,0,1]=3 423 B10R1.15 NC(CO)C1=CC=CC=C1 CS15860 [1,1,0,0,0,0|0,0,1]=3 424 B10R1.15 NC(CO)C1=NC=CC=C1 MC111155 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.15 NCC(O)C1=CC=CC=C1 CS20485 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.15 NCC(O)C1=CC=CC=C1 MC444625 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.15 OC(CBr)C1=CC=CC=C1 CS18840 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.15 OCC(F)C1=CC=CC=C1 MC430923 [1,1,0,0,0,0|0,0,1]=3 429 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.17 NOCCC1=CC=NC=C1 MC427573 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.17 O=CC#CC1=CC=CC=C1 CS18196 [1,1,0,0,0,0|0,0,1]=3 437 B10R1.17 OCCCC1=CC=NC=C1 CS22019 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [1,1,0,0,0,0|0,0,1]=3 439 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [0,1,0,0,1,0|2,0,0]=4 440 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [0,1,0,0,1,0|1,0,0]=3 441 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS17999 [0,1,0,0,1,0|2,0,0]=4 442 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [0,1,0,0,1,0|1,0,0]=3 443 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [0,1,0,0,1,0|1,0,0]=3 444 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS19687 [0,1,0,0,1,0|2,0,0]=4 445 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [0,1,0,0,1,0|1,0,0]=3 446 B10R1.13 CC(=O)C1=CC=C(F)N=C1 CS16982 [0,1,0,0,1,0|2,0,0]=4 447 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [0,1,0,0,1,0|1,0,0]=3 448 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [0,1,0,0,1,0|1,0,0]=3 449 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [0,1,0,0,1,0|2,0,0]=4 450 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [0,1,0,0,1,0|2,0,0]=4 451 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [0,1,0,0,1,0|2,0,0]=4 452 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [0,1,0,0,1,0|2,0,0]=4 453 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [0,1,0,0,1,0|2,0,0]=4 454 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [0,1,0,0,1,0|2,0,0]=4 455 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [0,1,0,0,1,0|2,0,0]=4 456 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [0,1,0,0,1,0|1,0,0]=3 457 B10R1.13 CC(O)C1=CC=C(F)C=C1 MC33129 [0,1,0,0,1,0|1,0,1]=4 458 B10R1.13 CC(O)C1=CC=C(N)C=C1 MC40728 [0,1,0,0,1,0|1,0,1]=4 459 B10R1.13 CC1=CC=C(B(O)O)C=C1 CS10128 [0,1,0,0,1,0|1,0,1]=4 460 B10R1.13 CC1=CC=C(C(=N)N)C=C1 CS20439 [0,1,0,0,1,0|2,0,0]=4 461 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 MC40494 [0,1,0,0,1,0|1,0,0]=3 462 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [0,1,0,0,1,0|0,0,0]=2 463 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [0,1,0,0,1,0|1,0,0]=3 464 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 CS11896 [0,1,0,0,1,0|1,0,1]=4 465 B10R1.13 CC1=CC=C(S(N)=O)C=C1 CS18822 [0,1,0,0,1,0|2,0,0]=4 466 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS10458 [0,1,0,0,1,0|1,0,0]=3 467 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS17310 [0,1,0,0,1,0|1,0,0]=3 468 B10R1.13 CC1=CN=C(C(=O)O)C=N1 CS19370 [0,1,0,0,1,0|2,0,0]=4 469 B10R1.13 CC1=CN=C(C(=O)O)N=C1 CS21764 [0,1,0,0,1,0|2,0,0]=4 470 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS20324 [0,1,0,0,1,0|1,0,0]=3 471 B10R1.13 CC1=NC=C(C(=O)O)C=N1 CS21698 [0,1,0,0,1,0|2,0,0]=4 472 B10R1.13 CC1=NC=C(C(N)=O)C=C1 CS18427 [0,1,0,0,1,0|2,0,0]=4 473 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 MC21022 [0,1,0,0,1,0|2,0,0]=4 474 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CS20283 [0,1,0,0,1,0|2,0,0]=4 475 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS18318 [0,1,0,0,1,0|2,0,0]=4 476 B10R1.13 N=C(N)C1=CC=C(N)C=C1 CS21974 [0,1,0,0,1,0|2,0,0]=4 477 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS10426 [0,1,0,0,1,0|1,0,0]=3 478 B10R1.13 NC(=O)C1=CN=C(N)C=C1 MC425266 [0,1,0,0,1,0|2,0,0]=4 479 B10R1.13 NC(=O)C1=CNC(=O)C=C1 MC427340 [0,1,0,0,1,0|2,0,0]=4 480 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 MC41603 [0,1,0,0,1,0|2,0,0]=4 481 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 MC33351 [0,1,0,0,1,0|2,0,0]=4 482 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS16336 [0,1,0,0,1,0|2,0,0]=4 483 B10R1.13 NC(=O)C1=NC=C(N)C=C1 CS10223 [0,1,0,0,1,0|2,0,0]=4 484 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS20343 [0,1,0,0,1,0|1,1,0]=4 485 B10R1.13 NC1=CC=C(B(O)O)C=C1 CS19513 [0,1,0,0,1,0|1,0,1]=4 486 B10R1.13 NC1=CC=C(B(O)O)C=C1 MC442888 [0,1,0,0,1,0|1,0,1]=4 487 B10R1.13 NC1=CC=C(C(=O)O)C=C1 MC40224 [0,1,0,0,1,0|0,0,0]=2 488 B10R1.13 NC1=CC=C(C(=O)O)N=N1 MC444236 [0,1,0,0,1,0|2,0,0]=4 489 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 CS22580 [0,1,0,0,1,0|0,0,1]=3 490 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 MC40934 [0,1,0,0,1,0|1,0,1]=4 491 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS19367 [0,1,0,0,1,0|1,0,0]=3 492 B10R1.13 NC1=CN=C(C(=O)O)C=N1 CS14292 [0,1,0,0,1,0|2,0,0]=4 493 B10R1.13 NC1=CN=C(C(=O)O)N=C1 MC115893 [0,1,0,0,1,0|2,0,0]=4 494 B10R1.13 NC1=NC=C(C(=O)O)C=C1 CS19354 [0,1,0,0,1,0|1,0,0]=3 495 B10R1.13 NC1=NC=C(C(=O)O)C=N1 CS18230 [0,1,0,0,1,0|2,0,0]=4 496 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 MC40440 [0,1,0,0,1,0|1,0,0]=3 497 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 MC40474 [0,1,0,0,1,0|1,0,0]=3 498 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 MC433701 [0,1,0,0,1,0|1,0,0]=3 499 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 CS20082 [0,1,0,0,1,0|0,0,0]=2 500 B10R1.13 O=C(O)C1=CC=C(Br)N=N1 MC431375 [0,1,0,0,1,0|2,0,0]=4 501 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS15821 [0,1,0,0,1,0|0,0,0]=2 502 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 MC444427 [0,1,0,0,1,0|2,0,0]=4 503 B10R1.13 O=C(O)C1=CC=C(F)C=C1 MC40280 [0,1,0,0,1,0|0,0,0]=2 504 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS20135 [0,1,0,0,1,0|0,0,0]=2 505 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [0,1,0,0,1,0|0,0,0]=2 506 B10R1.13 O=C(O)C1=CC=C(O)N=N1 CS17550 [0,1,0,0,1,0|2,0,0]=4 507 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 CS22092 [0,1,0,0,1,0|1,0,0]=3 508 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 CS22101 [0,1,0,0,1,0|1,0,0]=3 509 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 CS18270 [0,1,0,0,1,0|2,0,0]=4 510 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CS18891 [0,1,0,0,1,0|1,0,0]=3 511 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CS19189 [0,1,0,0,1,0|1,0,0]=3 512 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS22033 [0,1,0,0,1,0|1,0,0]=3 513 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 CS14223 [0,1,0,0,1,0|2,0,0]=4 514 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 CS12377 [0,1,0,0,1,0|2,0,0]=4 515 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS19376 [0,1,0,0,1,0|1,0,0]=3 516 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 CS14727 [0,1,0,0,1,0|2,0,0]=4 517 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 CS10354 [0,1,0,0,1,0|2,0,0]=4 518 B10R1.13 O=C(O)C1=NC=C(F)C=C1 CS10387 [0,1,0,0,1,0|1,0,0]=3 519 B10R1.13 O=C(O)C1=NC=C(F)C=N1 MC103707 [0,1,0,0,1,0|2,0,0]=4 520 B10R1.13 O=C(O)C1=NC=C(I)C=C1 CS10412 [0,1,0,0,1,0|1,0,0]=3 521 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CS22997 [0,1,0,0,1,0|1,0,0]=3 522 B10R1.13 O=C(O)C1=NC=C(O)C=N1 MC105798 [0,1,0,0,1,0|2,0,0]=4 523 B10R1.13 O=C([O-])C1=CC=C(Br)C=C1 MC40334 [0,1,0,0,1,0|0,0,1]=3 524 B10R1.13 O=C([O-])C1=CC=C(Cl)C=C1 MC40337 [0,1,0,0,1,0|0,0,1]=3 525 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 MC40351 [0,1,0,0,1,0|0,0,1]=3 526 B10R1.13 O=[N+]([O-])C1=CC=C(Br)C=C1 CS18786 [0,1,0,0,1,0|1,0,1]=4 527 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 CS22843 [0,1,0,0,1,0|1,0,1]=4 528 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 CS19234 [0,1,0,0,1,0|1,0,1]=4 529 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 MC41207 [0,1,0,0,1,0|1,0,1]=4 530 B10R1.13 O=[N+]([O-])c1ccc(Cl)cc1 MC41577 [0,1,0,0,1,0|1,0,1]=4 531 B10R1.13 OB(O)C1=CC=C(Br)C=C1 CS19222 [0,1,0,0,1,0|1,0,1]=4 532 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 CS19227 [0,1,0,0,1,0|1,0,1]=4 533 B10R1.13 OB(O)C1=CC=C(F)C=C1 CS23000 [0,1,0,0,1,0|1,0,1]=4 534 B10R1.13 OB(O)C1=CC=C(I)C=C1 CS22011 [0,1,0,0,1,0|1,0,1]=4 535 B10R1.13 OB(O)C1=CC=C(O)C=C1 CS19452 [0,1,0,0,1,0|1,0,1]=4 536 B10R1.13 OB(O)C1=CC=C(S)C=C1 MC20067 [0,1,0,0,1,0|1,0,1]=4 537 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 MC100403 [0,1,0,0,1,0|1,0,1]=4 538 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 CS10507 [0,1,0,0,1,0|1,0,1]=4 539 B10R1.28 O=P(Cl)(Cl)C1=CC=CC=C1 MC20369 [0,1,0,0,1,0|2,0,0]=4 540 B10R1.28 O=S(=O)(O)C1=CC=CN=C1 CS15426 [0,1,0,0,1,0|2,0,0]=4 541 B10R1.28 O=S(=O)(O)C1=CC=NC=C1 MC111106 [0,1,0,0,1,0|2,0,0]=4 542 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 CS19698 [0,1,0,0,1,0|1,0,1]=4 543 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 CS18866 [0,1,0,0,1,0|1,0,0]=3 544 B10R1.61 CC(=O)C1=C(C)C=CC=C1 CS19710 [0,1,0,0,1,0|1,0,0]=3 545 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 MC41234 [0,1,0,0,1,0|1,0,0]=3 546 B10R1.61 CC(=O)C1=C(F)C=CC=C1 CS15490 [0,1,0,0,1,0|1,0,0]=3 547 B10R1.61 CC(=O)C1=C(F)C=NC=C1 MC113260 [0,1,0,0,1,0|2,0,0]=4 548 B10R1.61 CC(=O)C1=C(N)C=CC=C1 CS19948 [0,1,0,0,1,0|1,0,0]=3 549 B10R1.61 CC(=O)C1=C(N)C=NC=C1 MC427146 [0,1,0,0,1,0|2,0,0]=4 550 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [0,1,0,0,1,0|1,0,0]=3 551 B10R1.61 CC(=O)C1=C(O)C=NC=C1 MC427306 [0,1,0,0,1,0|2,0,0]=4 552 B10R1.61 CC(=O)C1=CC=CN=C1Br CS18506 [0,1,0,0,1,0|2,0,0]=4 553 B10R1.61 CC(=O)C1=CC=CN=C1Cl CS18365 [0,1,0,0,1,0|2,0,0]=4 554 B10R1.61 CC(=O)C1=CC=CN=C1O MC427454 [0,1,0,0,1,0|2,0,0]=4 555 B10R1.61 CC(=O)C1=NC=CC=C1Br CS16209 [0,1,0,0,1,0|2,0,0]=4 556 B10R1.61 CC(=O)C1=NC=CC=C1Cl MC425055 [0,1,0,0,1,0|2,0,0]=4 557 B10R1.61 CC(=O)C1=NC=CC=C1F CS16198 [0,1,0,0,1,0|2,0,0]=4 558 B10R1.61 CC(=O)C1=NC=CC=C1O CS14450 [0,1,0,0,1,0|2,0,0]=4 559 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 CS13547 [0,1,0,0,1,0|1,0,1]=4 560 B10R1.61 CC(O)C1=C(F)C=CC=C1 CS15513 [0,1,0,0,1,0|1,0,1]=4 561 B10R1.61 CC(O)C1=C(F)C=CC=C1 MC33138 [0,1,0,0,1,0|1,0,1]=4 562 B10R1.61 CC1=C(B(O)O)C=CC=C1 CS20397 [0,1,0,0,1,0|1,0,1]=4 563 B10R1.61 CC1=C(C(=O)O)C=CC=C1 CS19823 [0,1,0,0,1,0|0,0,0]=2 564 B10R1.61 CC1=C(C(=O)O)C=CC=N1 CS18975 [0,1,0,0,1,0|1,0,0]=3 565 B10R1.61 CC1=C(C(=O)O)C=CN=C1 CS22360 [0,1,0,0,1,0|1,0,0]=3 566 B10R1.61 CC1=C(C(=O)O)C=CN=N1 MC104787 [0,1,0,0,1,0|2,0,0]=4 567 B10R1.61 CC1=C(C(=O)O)N=NC=C1 MC104743 [0,1,0,0,1,0|2,0,0]=4 568 B10R1.61 CC1=C(C(N)=O)C=CC=N1 CS22408 [0,1,0,0,1,0|2,0,0]=4 569 B10R1.61 CC1=C(C(N)=O)C=NC=C1 MC33526 [0,1,0,0,1,0|2,0,0]=4 570 B10R1.61 CC1=C([N+](=O)[O-])C=CC=C1 MC41522 [0,1,0,0,1,0|1,0,1]=4 571 B10R1.61 CC1=CC=CN=C1C(=O)O CS19680 [0,1,0,0,1,0|1,0,0]=3 572 B10R1.61 CC1=CC=NC=C1C(=O)O CS22976 [0,1,0,0,1,0|1,0,0]=3 573 B10R1.61 CC1=CC=NC=C1C(=O)O CS22977 [0,1,0,0,1,0|1,0,0]=3 574 B10R1.61 CC1=CN=NC=C1C(=O)O MC101944 [0,1,0,0,1,0|2,0,0]=4 575 B10R1.61 CC1=NC=CN=C1C(=O)O CS19744 [0,1,0,0,1,0|2,0,0]=4 576 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 CS20174 [0,1,0,0,1,0|1,0,0]=3 577 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 CS12247 [0,1,0,0,1,0|2,0,0]=4 578 B10R1.61 NC(=O)C1=C(Br)N=CC=C1 CS21404 [0,1,0,0,1,0|2,0,0]=4 579 B10R1.61 NC(=O)C1=C(F)C=CC=C1 MC41021 [0,1,0,0,1,0|1,0,0]=3 580 B10R1.61 NC(=O)C1=C(I)C=CC=C1 MC433808 [0,1,0,0,1,0|1,0,0]=3 581 B10R1.61 NC(=O)C1=C(N)C=NC=C1 CS22071 [0,1,0,0,1,0|2,0,0]=4 582 B10R1.61 NC(=O)C1=C(N)N=CC=C1 CS22407 [0,1,0,0,1,0|2,0,0]=4 583 B10R1.61 NC(=O)C1=C(O)C=CC=C1 CS11941 [0,1,0,0,1,0|1,0,0]=3 584 B10R1.61 NC(=O)C1=CC=CN=C1Cl CS19049 [0,1,0,0,1,0|2,0,0]=4 585 B10R1.61 NC(=O)C1=CN=CC=C1Cl CS22796 [0,1,0,0,1,0|2,0,0]=4 586 B10R1.61 NC(=O)C1=NC=CC=C1N CS18340 [0,1,0,0,1,0|2,0,0]=4 587 B10R1.61 NC1=C(B(O)O)C=CC=C1 CS19508 [0,1,0,0,1,0|1,0,1]=4 588 B10R1.61 NC1=C(C(=O)O)C=CC=N1 CS21827 [0,1,0,0,1,0|1,0,0]=3 589 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS17968 [0,1,0,0,1,0|1,0,0]=3 590 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS21908 [0,1,0,0,1,0|1,0,0]=3 591 B10R1.61 NC1=C(C(=O)O)C=CN=N1 CS18162 [0,1,0,0,1,0|2,0,0]=4 592 B10R1.61 NC1=C(C(=O)O)N=NC=C1 MC427245 [0,1,0,0,1,0|2,0,0]=4 593 B10R1.61 NC1=C([N+](=O)[O-])C=CC=C1 MC40933 [0,1,0,0,1,0|1,0,1]=4 594 B10R1.61 NC1=CC=CN=C1C(=O)O CS17409 [0,1,0,0,1,0|1,0,0]=3 595 B10R1.61 NC1=CC=CN=C1C(=O)O CS19360 [0,1,0,0,1,0|1,0,0]=3 596 B10R1.61 NC1=CC=NC=C1C(=O)O CS21982 [0,1,0,0,1,0|1,0,0]=3 597 B10R1.61 NC1=NC=CN=C1C(=O)O CS22108 [0,1,0,0,1,0|2,0,0]=4 598 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 MC40438 [0,1,0,0,1,0|1,0,0]=3 599 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 MC40472 [0,1,0,0,1,0|1,0,0]=3 600 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 CS19188 [0,1,0,0,1,0|1,0,0]=3 601 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 CS16216 [0,1,0,0,1,0|0,0,0]=2 602 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 CS22916 [0,1,0,0,1,0|1,0,0]=3 603 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 CS22912 [0,1,0,0,1,0|1,0,0]=3 604 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 CS16220 [0,1,0,0,1,0|1,0,0]=3 605 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 CS18848 [0,1,0,0,1,0|1,0,0]=3 606 B10R1.61 O=C(O)C1=C(F)C=CC=C1 CS10366 [0,1,0,0,1,0|0,0,0]=2 607 B10R1.61 O=C(O)C1=C(F)C=NC=C1 CS19033 [0,1,0,0,1,0|1,0,0]=3 608 B10R1.61 O=C(O)C1=C(F)N=CC=C1 CS18890 [0,1,0,0,1,0|1,0,0]=3 609 B10R1.61 O=C(O)C1=C(I)C=CC=C1 CS20137 [0,1,0,0,1,0|0,0,0]=2 610 B10R1.61 O=C(O)C1=C(I)N=CC=C1 MC443233 [0,1,0,0,1,0|1,0,0]=3 611 B10R1.61 O=C(O)C1=C(O)C=CC=C1 MC40289 [0,1,0,0,1,0|0,0,0]=2 612 B10R1.61 O=C(O)C1=C(O)C=NC=C1 CS22995 [0,1,0,0,1,0|1,0,0]=3 613 B10R1.61 O=C(O)C1=C(S)C=CC=C1 MC40297 [0,1,0,0,1,0|0,0,0]=2 614 B10R1.61 O=C(O)C1=CC=CNC1=O CS19183 [0,1,0,0,1,0|1,0,0]=3 615 B10R1.61 O=C(O)C1=CN=CC=C1Br MC10387 [0,1,0,0,1,0|1,0,0]=3 616 B10R1.61 O=C(O)C1=CN=CC=C1Cl CS18850 [0,1,0,0,1,0|1,0,0]=3 617 B10R1.61 O=C(O)C1=CN=CC=C1I MC442349 [0,1,0,0,1,0|1,0,0]=3 618 B10R1.61 O=C(O)C1=CN=CC=C1O CS15271 [0,1,0,0,1,0|1,0,0]=3 619 B10R1.61 O=C(O)C1=CN=CN=C1O CS12936 [0,1,0,0,1,0|2,0,0]=4 620 B10R1.61 O=C(O)C1=NC=CC=C1Br CS22914 [0,1,0,0,1,0|1,0,0]=3 621 B10R1.61 O=C(O)C1=NC=CC=C1Cl CS15072 [0,1,0,0,1,0|1,0,0]=3 622 B10R1.61 O=C(O)C1=NC=CC=C1F CS18754 [0,1,0,0,1,0|1,0,0]=3 623 B10R1.61 O=C(O)C1=NC=CC=C1I CS12162 [0,1,0,0,1,0|1,0,0]=3 624 B10R1.61 O=C(O)C1=NC=CC=C1O CS22996 [0,1,0,0,1,0|1,0,0]=3 625 B10R1.61 O=C(O)C1=NC=CN=C1Br CS12631 [0,1,0,0,1,0|2,0,0]=4 626 B10R1.61 O=C(O)C1=NC=CN=C1Cl CS17325 [0,1,0,0,1,0|2,0,0]=4 627 B10R1.61 O=C(O)C1=NC=CN=C1I CS14926 [0,1,0,0,1,0|2,0,0]=4 628 B10R1.61 O=C(O)C1=NC=CN=C1O CS17542 [0,1,0,0,1,0|2,0,0]=4 629 B10R1.61 O=C(O)C1=NC=NC=C1Br CS19718 [0,1,0,0,1,0|2,0,0]=4 630 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 MC40335 [0,1,0,0,1,0|0,0,1]=3 631 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 MC40349 [0,1,0,0,1,0|0,0,1]=3 632 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 CS22913 [0,1,0,0,1,0|1,0,1]=4 633 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 CS21724 [0,1,0,0,1,0|1,0,1]=4 634 B10R1.61 O=[N+]([O-])c1ccccc1F MC41584 [0,1,0,0,1,0|1,0,1]=4 635 B10R1.61 O=[N+]([O-])c1ccccc1F MC433531 [0,1,0,0,1,0|1,0,1]=4 636 B10R1.61 O=[N+]([O-])c1ccccc1I MC41585 [0,1,0,0,1,0|1,0,1]=4 637 B10R1.61 OB(O)C1=C(Br)C=CC=C1 CS21842 [0,1,0,0,1,0|1,0,1]=4 638 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 CS19224 [0,1,0,0,1,0|1,0,1]=4 639 B10R1.61 OB(O)C1=C(F)C=CC=C1 CS16291 [0,1,0,0,1,0|1,0,1]=4 640 B10R1.61 OB(O)C1=C(I)C=CC=C1 MC443194 [0,1,0,0,1,0|1,0,1]=4 641 B10R1.61 OB(O)C1=C(O)C=CC=C1 CS21880 [0,1,0,0,1,0|1,0,1]=4 642 B10R1.61 OB(O)C1=C(S)C=CC=C1 MC100433 [0,1,0,0,1,0|1,0,1]=4 643 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 CS18865 [0,1,0,0,1,0|1,0,0]=3 644 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 CS18282 [0,1,0,0,1,0|2,0,0]=4 645 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [0,1,0,0,1,0|2,0,0]=4 646 B10R1.113 CC(=O)C1=CC(C)=NC=C1 CS18206 [0,1,0,0,1,0|2,0,0]=4 647 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS19798 [0,1,0,0,1,0|1,0,0]=3 648 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 MC116273 [0,1,0,0,1,0|2,0,0]=4 649 B10R1.113 CC(=O)C1=CC(F)=CC=C1 CS19067 [0,1,0,0,1,0|1,0,0]=3 650 B10R1.113 CC(=O)C1=CC(F)=CN=C1 MC443199 [0,1,0,0,1,0|2,0,0]=4 651 B10R1.113 CC(=O)C1=CC(I)=CC=C1 MC33049 [0,1,0,0,1,0|1,0,0]=3 652 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS19441 [0,1,0,0,1,0|1,0,0]=3 653 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [0,1,0,0,1,0|1,0,0]=3 654 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [0,1,0,0,1,0|1,0,0]=3 655 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 CS17202 [0,1,0,0,1,0|2,0,0]=4 656 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [0,1,0,0,1,0|2,0,0]=4 657 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 MC441210 [0,1,0,0,1,0|2,0,0]=4 658 B10R1.113 CC(=O)C1=NC=CC(F)=C1 MC430529 [0,1,0,0,1,0|2,0,0]=4 659 B10R1.113 CC(O)C1=CC(Br)=CC=C1 MC40729 [0,1,0,0,1,0|1,0,1]=4 660 B10R1.113 CC(O)C1=CC(F)=CC=C1 MC433887 [0,1,0,0,1,0|1,0,1]=4 661 B10R1.113 CC(O)C1=CC(N)=CC=C1 CS21787 [0,1,0,0,1,0|1,0,1]=4 662 B10R1.113 CC1=CC(B(O)O)=CC=C1 CS10529 [0,1,0,0,1,0|1,0,1]=4 663 B10R1.113 CC1=CC(C(=O)O)=CN=C1 CS20319 [0,1,0,0,1,0|1,0,0]=3 664 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS22984 [0,1,0,0,1,0|1,0,0]=3 665 B10R1.113 CC1=CC(C(N)=O)=CN=C1 MC33520 [0,1,0,0,1,0|2,0,0]=4 666 B10R1.113 CC1=CC=CC(C(=N)N)=C1 CS20438 [0,1,0,0,1,0|2,0,0]=4 667 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 MC20748 [0,1,0,0,1,0|1,0,0]=3 668 B10R1.113 CC1=CC=CC(C(=O)O)=C1 CS19799 [0,1,0,0,1,0|0,0,0]=2 669 B10R1.113 CC1=CC=CC(C(=O)O)=N1 CS16317 [0,1,0,0,1,0|1,0,0]=3 670 B10R1.113 CC1=CC=CC(C(O)=S)=C1 MC433710 [0,1,0,0,1,0|0,1,0]=3 671 B10R1.113 CC1=NC(C(=O)O)=CN=C1 MC10465 [0,1,0,0,1,0|2,0,0]=4 672 B10R1.113 CC1=NC(C(=O)O)=NC=C1 MC104691 [0,1,0,0,1,0|2,0,0]=4 673 B10R1.113 CC1=NC=CC(C(=O)O)=C1 CS19546 [0,1,0,0,1,0|1,0,0]=3 674 B10R1.113 CC1=NC=CC(C(=O)O)=N1 CS19716 [0,1,0,0,1,0|2,0,0]=4 675 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 CS20273 [0,1,0,0,1,0|2,0,0]=4 676 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 CS22167 [0,1,0,0,1,0|1,0,0]=3 677 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 CS17785 [0,1,0,0,1,0|2,0,0]=4 678 B10R1.113 NC(=O)C1=CC(N)=CC=C1 MC433795 [0,1,0,0,1,0|1,0,0]=3 679 B10R1.113 NC(=O)C1=CC(N)=CN=C1 CS15231 [0,1,0,0,1,0|2,0,0]=4 680 B10R1.113 NC(=O)C1=CC(N)=NC=C1 MC425286 [0,1,0,0,1,0|2,0,0]=4 681 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 CS19001 [0,1,0,0,1,0|2,0,0]=4 682 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 MC427450 [0,1,0,0,1,0|2,0,0]=4 683 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 MC20489 [0,1,0,0,1,0|2,0,0]=4 684 B10R1.113 NC(=O)C1=NC=CC(N)=C1 MC116216 [0,1,0,0,1,0|2,0,0]=4 685 B10R1.113 NC1=CC(C(=O)O)=CN=C1 CS22022 [0,1,0,0,1,0|1,0,0]=3 686 B10R1.113 NC1=CC(C(=O)O)=NC=C1 CS15431 [0,1,0,0,1,0|1,0,0]=3 687 B10R1.113 NC1=CC(C(=O)O)=NC=N1 MC425236 [0,1,0,0,1,0|2,0,0]=4 688 B10R1.113 NC1=CC([N+](=O)[O-])=CC=C1 CS22379 [0,1,0,0,1,0|1,0,1]=4 689 B10R1.113 NC1=CC=CC(B(O)O)=C1 CS11047 [0,1,0,0,1,0|1,0,1]=4 690 B10R1.113 NC1=CC=CC(B(O)O)=C1 CS18152 [0,1,0,0,1,0|1,0,1]=4 691 B10R1.113 NC1=CC=CC(B(O)O)=C1 CS19512 [0,1,0,0,1,0|1,0,1]=4 692 B10R1.113 NC1=CC=CC(B(O)O)=C1 MC20897 [0,1,0,0,1,0|1,0,1]=4 693 B10R1.113 NC1=CC=CC(C(=O)O)=C1 CS13396 [0,1,0,0,1,0|0,0,0]=2 694 B10R1.113 NC1=CC=CC(C(=O)O)=N1 CS19355 [0,1,0,0,1,0|1,0,0]=3 695 B10R1.113 NC1=CN=CC(C(=O)O)=N1 CS12628 [0,1,0,0,1,0|2,0,0]=4 696 B10R1.113 NC1=NC=CC(C(=O)O)=C1 CS23021 [0,1,0,0,1,0|1,0,0]=3 697 B10R1.113 NC1=NC=CC(C(=O)O)=N1 MC10396 [0,1,0,0,1,0|2,0,0]=4 698 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 MC40439 [0,1,0,0,1,0|1,0,0]=3 699 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 MC40449 [0,1,0,0,1,0|1,0,0]=3 700 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 MC40473 [0,1,0,0,1,0|1,0,0]=3 701 B10R1.113 O=C(Cl)C1=NC=CC(O)=C1 MC106015 [0,1,0,0,1,0|2,0,0]=4 702 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 CS15122 [0,1,0,0,1,0|0,0,0]=2 703 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 MC20488 [0,1,0,0,1,0|1,0,0]=3 704 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 CS14882 [0,1,0,0,1,0|0,0,0]=2 705 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 CS18845 [0,1,0,0,1,0|1,0,0]=3 706 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS10368 [0,1,0,0,1,0|0,0,0]=2 707 B10R1.113 O=C(O)C1=CC(F)=NC=C1 CS18886 [0,1,0,0,1,0|1,0,0]=3 708 B10R1.113 O=C(O)C1=CC(I)=CC=C1 CS10375 [0,1,0,0,1,0|0,0,0]=2 709 B10R1.113 O=C(O)C1=CC(O)=CC=C1 CS19800 [0,1,0,0,1,0|0,0,0]=2 710 B10R1.113 O=C(O)C1=CC(S)=CC=C1 MC20304 [0,1,0,0,1,0|0,0,0]=2 711 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 CS22040 [0,1,0,0,1,0|1,0,0]=3 712 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 CS18852 [0,1,0,0,1,0|1,0,0]=3 713 B10R1.113 O=C(O)C1=CN=CC(F)=C1 CS22934 [0,1,0,0,1,0|1,0,0]=3 714 B10R1.113 O=C(O)C1=CN=CC(O)=C1 CS22067 [0,1,0,0,1,0|1,0,0]=3 715 B10R1.113 O=C(O)C1=CN=NC(Cl)=C1 CS17230 [0,1,0,0,1,0|2,0,0]=4 716 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 CS22087 [0,1,0,0,1,0|1,0,0]=3 717 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 MC441120 [0,1,0,0,1,0|2,0,0]=4 718 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 MC443368 [0,1,0,0,1,0|2,0,0]=4 719 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 CS21854 [0,1,0,0,1,0|1,0,0]=3 720 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 CS12423 [0,1,0,0,1,0|2,0,0]=4 721 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 CS17265 [0,1,0,0,1,0|2,0,0]=4 722 B10R1.113 O=C(O)C1=NC(F)=CC=C1 CS14295 [0,1,0,0,1,0|1,0,0]=3 723 B10R1.113 O=C(O)C1=NC(O)=CC=C1 CS22114 [0,1,0,0,1,0|1,0,0]=3 724 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 CS14122 [0,1,0,0,1,0|1,0,0]=3 725 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 CS14963 [0,1,0,0,1,0|1,0,0]=3 726 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CS17501 [0,1,0,0,1,0|1,0,0]=3 727 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CS17506 [0,1,0,0,1,0|1,0,0]=3 728 B10R1.113 O=C(O)C1=NC=CC(O)=C1 CS22894 [0,1,0,0,1,0|1,0,0]=3 729 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 MC444429 [0,1,0,0,1,0|2,0,0]=4 730 B10R1.113 O=C(O)C1=NC=NC(O)=C1 CS17537 [0,1,0,0,1,0|2,0,0]=4 731 B10R1.113 O=C([O-])C1=CC(Cl)=CC=C1 MC40336 [0,1,0,0,1,0|0,0,1]=3 732 B10R1.113 O=C([O-])C1=CC(F)=CC=C1 MC40350 [0,1,0,0,1,0|0,0,1]=3 733 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 MC430296 [0,1,0,0,1,0|1,0,1]=4 734 B10R1.113 O=C1C=C(C(=O)O)C=NN1 CS22119 [0,1,0,0,1,0|2,0,0]=4 735 B10R1.113 O=C1C=NC=C(C(=O)O)N1 CS17150 [0,1,0,0,1,0|2,0,0]=4 736 B10R1.113 O=C1N=CC=C(C(=O)O)N1 CS12225 [0,1,0,0,1,0|2,0,0]=4 737 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 CS20650 [0,1,0,0,1,0|1,0,1]=4 738 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=C1 CS20664 [0,1,0,0,1,0|1,0,1]=4 739 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 CS20684 [0,1,0,0,1,0|1,0,1]=4 740 B10R1.113 O=[N+]([O-])C1=CC=CC(I)=C1 CS19240 [0,1,0,0,1,0|1,0,1]=4 741 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 CS22383 [0,1,0,0,1,0|1,0,1]=4 742 B10R1.113 OB(O)C1=CC(Br)=CC=C1 CS19219 [0,1,0,0,1,0|1,0,1]=4 743 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 CS22999 [0,1,0,0,1,0|1,0,1]=4 744 B10R1.113 OB(O)C1=CC(F)=CC=C1 CS21930 [0,1,0,0,1,0|1,0,1]=4 745 B10R1.113 OB(O)C1=CC(O)=CC=C1 MC440047 [0,1,0,0,1,0|1,0,1]=4 746 B10R1.23 NC(C(=O)O)C1=CC=CS1 MC103430 [0,1,0,0,1,0|1,0,0]=3 747 B10R1.27 COC(=O)CC1=CNC=N1 MC431278 [0,1,0,0,1,0|2,0,0]=4 748 B10R1.54 CN1C=NC(CC(=O)O)=C1 CS16463 [0,1,0,0,1,0|2,0,0]=4 749 B10R1.54 NC1=CC(CC(=O)O)=NN1 CS20216 [0,1,0,0,1,0|2,0,0]=4 750 B10R1.54 NC1=NC(CC(=O)O)=CS1 CS17942 [0,1,0,0,1,0|2,0,0]=4 751 B10R1.54 NC1=NC=C(CC(=O)O)S1 MC103505 [0,1,0,0,1,0|2,0,0]=4 752 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 MC102205 [0,1,0,0,1,0|2,0,0]=4 753 B10R1.54 O=C(O)CC1=NC=C(Cl)S1 MC103590 [0,1,0,0,1,0|2,0,0]=4 754 B10R1.64 CN1C=CC=C1CC(=O)O MC20727 [0,1,0,0,1,0|1,0,0]=3 755 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [0,1,0,0,0,1|1,0,0]=3 756 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 MC431712 [0,1,0,0,0,1|1,0,1]=4 757 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 MC41308 [0,1,0,0,0,1|1,0,1]=4 758 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 MC40217 [0,1,0,0,0,1|0,0,1]=3 759 B12R1.21 NC(=[NH2+])SCC1=CC=C(F)C=C1 MC112601 [0,1,0,0,0,1|2,0,0]=4 760 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 CS21832 [0,1,0,0,0,1|0,0,0]=2 761 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 CS15944 [0,1,0,0,0,1|1,0,0]=3 762 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 CS17825 [0,1,0,0,0,1|1,0,0]=3 763 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS21674 [0,1,0,0,0,1|0,0,0]=2 764 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 CS19854 [0,1,0,0,0,1|0,0,0]=2 765 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS21107 [0,1,0,0,0,1|0,0,0]=2 766 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 MC41825 [0,1,0,0,0,1|0,0,0]=2 767 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 CS21504 [0,1,0,0,0,1|0,0,1]=3 768 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 MC429571 [0,1,0,0,0,1|0,0,1]=3 769 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS15820 [0,1,0,0,0,1|0,0,1]=3 770 B12R1.27 CC(CO)NCC1=CC=CC=C1 CS11754 [0,1,0,0,0,1|1,0,1]=4 771 B12R1.27 CC(CO)OCC1=CC=CC=C1 MC106974 [0,1,0,0,0,1|1,0,1]=4 772 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [0,1,0,0,0,1|0,0,0]=2 773 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [0,1,0,0,0,1|1,0,0]=3 774 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [0,1,0,0,0,1|1,0,0]=3 775 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [0,1,0,0,0,1|1,0,0]=3 776 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS20449 [0,1,0,0,0,1|1,0,0]=3 777 B12R1.27 NNC(=O)OCc1ccccc1 MC438484 [0,1,0,0,0,1|1,0,0]=3 778 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [0,1,0,0,0,1|1,0,0]=3 779 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MC445160 [0,1,0,0,0,1|0,0,0]=2 780 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O MC20809 [0,1,0,0,0,1|0,0,0]=2 781 B12R1.43 CN(CC1=NC=CC=C1)C(=O)Cl MC110623 [0,1,0,0,0,1|2,0,0]=4 782 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438079 [0,1,0,0,0,1|1,0,0]=3 783 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438080 [0,1,0,0,0,1|1,0,0]=3 784 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438081 [0,1,0,0,0,1|1,0,0]=3 785 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438082 [0,1,0,0,0,1|1,0,0]=3 786 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442654 [0,1,0,0,0,1|1,0,1]=4 787 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442683 [0,1,0,0,0,1|1,0,1]=4 788 B12R1.43 NC(CC1=CC=CC=C1)B(O)O MC442684 [0,1,0,0,0,1|1,0,1]=4 789 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS15443 [0,1,0,0,0,1|0,0,0]=2 790 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS18748 [0,1,0,0,0,1|0,0,0]=2 791 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS21178 [0,1,0,0,0,1|0,0,0]=2 792 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CS18803 [0,1,0,0,0,1|1,0,0]=3 793 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O MC20764 [0,1,0,0,0,1|1,0,0]=3 794 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O MC439076 [0,1,0,0,0,1|1,0,0]=3 795 B12R1.43 NC(Cc1ccccn1)C(=O)O MC427345 [0,1,0,0,0,1|1,0,0]=3 796 B12R1.43 NC(Cc1ccccn1)C(=O)O MC438142 [0,1,0,0,0,1|1,0,0]=3 797 B12R1.43 NC(Cc1ccccn1)C(=O)O MC438143 [0,1,0,0,0,1|1,0,0]=3 798 B12R1.43 NC(Cc1ccccn1)C(=O)O MC439075 [0,1,0,0,0,1|1,0,0]=3 799 B12R1.43 NC(Cc1cccnc1)C(=O)O MC438144 [0,1,0,0,0,1|1,0,0]=3 800 B12R1.43 NC(Cc1ccncc1)C(=O)O MC439080 [0,1,0,0,0,1|1,0,0]=3 801 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [0,1,0,0,0,1|0,0,0]=2 802 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [0,1,0,0,0,1|0,0,0]=2 803 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [0,1,0,0,0,1|0,0,0]=2 804 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 MC437778 [0,1,0,0,0,1|1,0,0]=3 805 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [0,1,0,0,0,1|1,0,0]=3 806 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [0,1,0,0,0,1|0,0,0]=2 807 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [0,1,0,0,0,1|0,0,0]=2 808 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 CS20300 [0,1,0,0,0,1|1,0,0]=3 809 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [0,1,0,0,0,1|0,0,0]=2 810 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 CS17400 [0,1,0,0,0,1|0,0,1]=3 811 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 CS21656 [0,1,0,0,0,1|0,0,0]=2 812 B12R1.125 O=C(O)CCN1C=CC=CC1=O CS12670 [0,1,0,0,0,1|1,0,0]=3 813 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 MC106617 [0,1,0,0,0,1|0,0,0]=2 814 B12R1.125 O=C(O)CNc1ccccc1Cl MC439220 [0,1,0,0,0,1|0,0,0]=2 815 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 CS10967 [0,1,0,0,0,1|0,0,1]=3 816 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 CS21658 [0,1,0,0,0,1|0,0,0]=2 817 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS13948 [0,1,0,0,0,1|0,0,0]=2 818 B12R1.226 O=C(O)CCc1cccc(F)c1 MC40203 [0,1,0,0,0,1|0,0,0]=2 819 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 CS21499 [0,1,0,0,0,1|0,0,1]=3 820 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 CS21503 [0,1,0,0,0,1|0,0,1]=3 821 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 MC40208 [0,1,0,0,0,1|0,0,1]=3 822 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 CS10976 [0,1,0,0,0,1|0,0,1]=3 823 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 MC40216 [0,1,0,0,0,1|0,0,1]=3 824 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 CS21739 [0,1,0,0,0,1|1,0,1]=4 825 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 CS22530 [0,2,0,0,0,0|2,0,0]=4 826 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 MC40005 [0,2,0,0,0,0|2,0,0]=4 827 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 MC20892 [0,2,0,0,0,0|1,0,0]=3 828 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 CS13446 [0,2,0,0,0,0|0,0,0]=2 829 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 CS11110 [0,2,0,0,0,0|1,0,0]=3 830 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 MC427407 [0,2,0,0,0,0|2,0,0]=4 831 B12R1.4 COC1=CC=C(OC(=O)Cl)C=C1 MC40014 [0,2,0,0,0,0|2,0,0]=4 832 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 CS18357 [0,2,0,0,0,0|0,0,0]=2 833 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 CS16100 [0,2,0,0,0,0|0,0,0]=2 834 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 MC40138 [0,2,0,0,0,0|0,0,0]=2 835 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 MC40152 [0,2,0,0,0,0|0,0,0]=2 836 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 MC431953 [0,2,0,0,0,0|0,0,0]=2 837 B12R1.19 CC(=O)Nc1ccc(C)c(C)c1 MC40962 [0,2,0,0,0,0|2,0,0]=4 838 B12R1.19 CC(=O)Nc1ccc(F)c(F)c1 MC40961 [0,2,0,0,0,0|2,0,0]=4 839 B12R1.19 CC(=O)OC1=CC(C)=C(Cl)C=C1 MC40003 [0,2,0,0,0,0|2,0,0]=4 840 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 MC40151 [0,2,0,0,0,0|0,0,0]=2 841 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 MC21107 [0,2,0,0,0,0|0,0,0]=2 842 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 MC433950 [0,2,0,0,0,0|0,0,0]=2 843 B12R1.19 CC1=C(F)C=CC([ClH]C(=O)[O-])=C1 MC30266 [0,2,0,0,0,0|1,0,1]=4 844 B12R1.19 CC1=CC(CC(=O)O)=NNC1=O MC104935 [0,2,0,0,0,0|2,0,0]=4 845 B12R1.19 NC(=O)NC1=CC(Cl)=C(Cl)C=C1 CS20402 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.19 O=C(O)CC1=CC(Br)=C(F)C=C1 CS18834 [0,2,0,0,0,0|0,0,0]=2 847 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 MC40146 [0,2,0,0,0,0|0,0,0]=2 848 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 CS20693 [0,2,0,0,0,0|0,0,0]=2 849 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 CS10724 [0,2,0,0,0,0|0,0,0]=2 850 B12R1.19 O=C(O)CC1=CC(F)=C(Br)C=C1 CS12651 [0,2,0,0,0,0|0,0,0]=2 851 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 CS22756 [0,2,0,0,0,0|0,0,0]=2 852 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 MC40163 [0,2,0,0,0,0|0,0,0]=2 853 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 MC40167 [0,2,0,0,0,0|0,0,0]=2 854 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 CS20953 [0,2,0,0,0,0|0,0,0]=2 855 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 CS12331 [0,2,0,0,0,0|0,0,0]=2 856 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 CS20887 [0,2,0,0,0,0|0,0,0]=2 857 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS10846 [0,2,0,0,0,0|0,0,0]=2 858 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS15576 [0,2,0,0,0,0|0,0,0]=2 859 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS19207 [0,2,0,0,0,0|0,0,0]=2 860 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC20331 [0,2,0,0,0,0|0,0,0]=2 861 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC429561 [0,2,0,0,0,0|0,0,0]=2 862 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC429563 [0,2,0,0,0,0|0,0,0]=2 863 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 CS21023 [0,2,0,0,0,0|0,0,0]=2 864 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 CS15974 [0,2,0,0,0,0|0,0,1]=3 865 B12R1.20 O=C(O)C(Br)C1=CC=C(Cl)C=C1 MC40142 [0,2,0,0,0,0|0,0,0]=2 866 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 MC115598 [0,2,0,0,0,0|0,0,0]=2 867 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 CS20354 [0,2,0,0,0,0|0,0,0]=2 868 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 MC40159 [0,2,0,0,0,0|0,0,0]=2 869 B12R1.20 O=C(O)C(O)c1ccc(Br)cc1 MC115599 [0,2,0,0,0,0|0,0,0]=2 870 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 MC33263 [0,2,0,0,0,0|0,0,0]=2 871 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 MC40116 [0,2,0,0,0,0|0,0,0]=2 872 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 MC40088 [0,2,0,0,0,0|0,0,0]=2 873 B12R1.49 COC(=O)CC1=CC=C(F)N=C1 MC429489 [0,2,0,0,0,0|1,0,0]=3 874 B12R1.49 COC(=O)CC1=CC=C(N)N=C1 MC431366 [0,2,0,0,0,0|1,0,0]=3 875 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 CS21113 [0,2,0,0,0,0|0,0,0]=2 876 B12R1.49 NC(CO)CC1=CC=C(I)C=C1 MC115448 [0,2,0,0,0,0|1,0,1]=4 877 B12R1.49 NC(CO)Cc1ccc(O)cc1 MC439069 [0,2,0,0,0,0|1,0,1]=4 878 B12R1.49 NNC(=O)CC1=CC=C(Cl)N=C1 MC430435 [0,2,0,0,0,0|2,0,0]=4 879 B12R1.106 CC(C)(O)CC1=CC=C(Cl)C=C1 MC33349 [0,2,0,0,0,0|1,0,1]=4 880 B12R1.106 CC1=CC=C(CS(=O)(=O)Cl)C=C1 MC20307 [0,2,0,0,0,0|1,0,1]=4 881 B12R1.106 NC1=CC=C(CP(=O)(O)O)C=C1 MC10777 [0,2,0,0,0,0|1,0,0]=3 882 B12R1.106 O=S(=O)(Cl)CC1=CC=C(F)C=C1 MC429576 [0,2,0,0,0,0|1,0,1]=4 883 B12R1.233 CC(=O)NC1=C(Cl)C=C(F)C=C1 MC33128 [0,2,0,0,0,0|2,0,0]=4 884 B12R1.233 CC(=O)NC1=C(O)C=C(F)C=C1 MC427191 [0,2,0,0,0,0|2,0,0]=4 885 B12R1.233 CC(=O)Nc1ccc(Cl)cc1F MC40956 [0,2,0,0,0,0|2,0,0]=4 886 B12R1.233 CC1=C(CC(=O)O)C=CC(Br)=C1 MC107511 [0,2,0,0,0,0|0,0,0]=2 887 B12R1.233 CC1=CC(Br)=C(CC(=O)O)C=C1 MC106320 [0,2,0,0,0,0|0,0,0]=2 888 B12R1.233 CC1=CC(F)=C(CC(=O)O)C=C1 CS12730 [0,2,0,0,0,0|0,0,0]=2 889 B12R1.233 CC1=CC=C(CC(=O)O)C(=O)N1 MC430198 [0,2,0,0,0,0|1,0,0]=3 890 B12R1.233 NC1=C(CC(=O)O)C=CC(F)=C1 MC429495 [0,2,0,0,0,0|0,0,0]=2 891 B12R1.233 NC1=CC(F)=C(CC(=O)O)C=C1 MC433931 [0,2,0,0,0,0|0,0,0]=2 892 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 CS19112 [0,2,0,0,0,0|0,0,0]=2 893 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 CS15278 [0,2,0,0,0,0|0,0,0]=2 894 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 CS16319 [0,2,0,0,0,0|0,0,0]=2 895 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 CS10717 [0,2,0,0,0,0|0,0,0]=2 896 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 CS20709 [0,2,0,0,0,0|0,0,0]=2 897 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 CS19772 [0,2,0,0,0,0|0,0,0]=2 898 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 MC40156 [0,2,0,0,0,0|0,0,0]=2 899 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 MC10349 [0,2,0,0,0,0|0,0,0]=2 900 B12R1.233 O=C(O)CC1=C(I)C=C(F)C=C1 MC432599 [0,2,0,0,0,0|0,0,0]=2 901 B12R1.233 O=C(O)CC1=C(O)C=C(F)C=C1 MC429494 [0,2,0,0,0,0|0,0,0]=2 902 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 MC111794 [0,2,0,0,0,0|2,0,0]=4 903 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 MC20896 [0,2,0,0,0,0|0,0,1]=3 904 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS13901 [0,2,0,0,0,0|0,0,0]=2 905 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS21181 [0,2,0,0,0,0|0,0,0]=2 906 B12R1.34 COC(=O)C(N)C1=NC=CC=C1 CS17643 [0,2,0,0,0,0|1,0,0]=3 907 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS18861 [0,2,0,0,0,0|0,0,0]=2 908 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS21098 [0,2,0,0,0,0|0,0,0]=2 909 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 MC20366 [0,2,0,0,0,0|1,0,1]=4 910 B12R1.124 CC(=O)C(Br)C1=C(F)C=CC=C1 MC432040 [0,2,0,0,0,0|1,0,0]=3 911 B12R1.124 CC(C(=O)O)C1=C(Cl)C=CC=C1 CS21673 [0,2,0,0,0,0|0,0,0]=2 912 B12R1.124 NC(=O)C(N)C1=C(Cl)C=CC=C1 MC102535 [0,2,0,0,0,0|1,0,0]=3 913 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 CS10848 [0,2,0,0,0,0|0,0,0]=2 914 B12R1.124 NC1=C(C(=O)C(=O)[O-])C=CC=C1 MC427207 [0,2,0,0,0,0|0,0,2]=4 915 B12R1.124 NC1=C(C(O)C(=O)[O-])C=CC=C1 MC427355 [0,2,0,0,0,0|0,0,1]=3 916 B12R1.124 O=C(Cl)C(=O)C1=C(Cl)C=CC=C1 MC105996 [0,2,0,0,0,0|1,0,1]=4 917 B12R1.124 O=C(O)C(=O)C1=C(Br)C=CC=C1 CS16464 [0,2,0,0,0,0|0,0,1]=3 918 B12R1.124 O=C(O)C(Br)C1=C(Cl)C=CC=C1 MC20972 [0,2,0,0,0,0|0,0,0]=2 919 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 CS10783 [0,2,0,0,0,0|0,0,0]=2 920 B12R1.225 CC(C(=O)O)C1=CC(Br)=CC=C1 CS14817 [0,2,0,0,0,0|0,0,0]=2 921 B12R1.225 CC(C(=O)O)C1=CC(N)=CC=C1 MC102234 [0,2,0,0,0,0|0,0,0]=2 922 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 MC442791 [0,2,0,0,0,0|0,0,0]=2 923 B12R1.225 NC(C(=O)O)C1=CC(Cl)=CC=C1 MC40137 [0,2,0,0,0,0|0,0,0]=2 924 B12R1.225 O=C(O)C(O)C1=CC(F)=CC=C1 CS13705 [0,2,0,0,0,0|0,0,0]=2 925 B12R1.253 CC(=O)C(F)(F)C1=CC=CC=C1 MC430930 [0,2,0,0,0,0|1,0,0]=3 926 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CS10020 [0,2,0,0,0,0|0,0,0]=2 927 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 CS20312 [0,2,0,0,0,0|0,0,0]=2 928 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437936 [0,2,0,0,0,0|0,0,0]=2 929 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437937 [0,2,0,0,0,0|0,0,0]=2 930 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437938 [0,2,0,0,0,0|0,0,0]=2 931 B12R1.478 COC(C(=O)O)c1ccccc1 MC428059 [0,2,0,0,0,0|0,0,0]=2 932 B12R1.478 N#CC(C(N)=O)C1=CC=CC=C1 MC33238 [0,2,0,0,0,0|1,0,0]=3 933 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 MC105852 [0,2,0,0,0,0|0,0,0]=2 934 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 MC105853 [0,2,0,0,0,0|0,0,0]=2 935 B12R1.564 C=C(C1=CC=CC=C1)P(=O)(O)O MC114487 [0,2,0,0,0,0|1,0,1]=4 936 B12R1.32 CCOC(=O)CC1=NC=CC=C1 MC41619 [0,2,0,0,0,0|1,0,0]=3 937 B12R1.32 CCOC(=O)CC1=NC=CC=N1 CS12227 [0,2,0,0,0,0|2,0,0]=4 938 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS11755 [0,2,0,0,0,0|2,0,0]=4 939 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 MC40795 [0,2,0,0,0,0|2,0,0]=4 940 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 MC107629 [0,2,0,0,0,0|2,0,0]=4 941 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 CS21194 [0,2,0,0,0,0|2,0,0]=4 942 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 CS20169 [0,2,0,0,0,0|0,0,0]=2 943 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 MC433952 [0,2,0,0,0,0|0,0,0]=2 944 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CS15979 [0,2,0,0,0,0|0,0,0]=2 945 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 MC40063 [0,2,0,0,0,0|0,0,0]=2 946 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 CS22324 [0,2,0,0,0,0|0,0,0]=2 947 B12R1.50 NC(CO)CC1=CC(F)=CC=C1 MC431472 [0,2,0,0,0,0|1,0,1]=4 948 B12R1.50 NNC(=O)CC1=CC(Br)=CC=C1 MC111969 [0,2,0,0,0,0|1,0,0]=3 949 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 CS11591 [0,2,0,0,0,0|0,0,0]=2 950 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 CS21677 [0,2,0,0,0,0|0,0,0]=2 951 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 CS11582 [0,2,0,0,0,0|0,0,0]=2 952 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS20138 [0,2,0,0,0,0|0,0,0]=2 953 B12R1.75 C#CC1=C(CC(N)=O)C=CC=C1 MC112241 [0,2,0,0,0,0|1,0,0]=3 954 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 CS16300 [0,2,0,0,0,0|0,0,0]=2 955 B12R1.75 COC1=C(OC(C)=O)C=CC=C1 MC40006 [0,2,0,0,0,0|2,0,0]=4 956 B12R1.75 N#CC1=C(CC(=O)O)C=CC=C1 CS20129 [0,2,0,0,0,0|0,0,0]=2 957 B12R1.75 O=C(O)CC1=C(CCl)C=CC=C1 MC40157 [0,2,0,0,0,0|0,0,0]=2 958 B12R1.127 CC(=O)NC1=C(Br)C=CC(Br)=C1 MC106796 [0,2,0,0,0,0|2,0,0]=4 959 B12R1.127 CC(=O)NC1=C(Br)C=CC(C)=C1 MC40955 [0,2,0,0,0,0|2,0,0]=4 960 B12R1.127 CC(=O)NC1=C(O)C=CC(Br)=C1 MC427097 [0,2,0,0,0,0|2,0,0]=4 961 B12R1.127 CC(=O)Nc1cc(F)ccc1F MC40960 [0,2,0,0,0,0|2,0,0]=4 962 B12R1.127 CC(=O)Nc1cc(N)ccc1F MC40954 [0,2,0,0,0,0|2,0,0]=4 963 B12R1.127 CC1=C(CC(=O)O)C=C(F)C=C1 MC40172 [0,2,0,0,0,0|0,0,0]=2 964 B12R1.127 CC1=C(CC(=O)O)NC(=O)C=C1 MC111285 [0,2,0,0,0,0|1,0,0]=3 965 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 CS11111 [0,2,0,0,0,0|0,0,0]=2 966 B12R1.127 CC1=CC(CC(=O)O)=C(F)C=C1 MC40171 [0,2,0,0,0,0|0,0,0]=2 967 B12R1.127 O=C(O)CC1=C(Br)C=CC(Br)=C1 MC20981 [0,2,0,0,0,0|0,0,0]=2 968 B12R1.127 O=C(O)CC1=C(Br)C=CC(Cl)=C1 MC40143 [0,2,0,0,0,0|0,0,0]=2 969 B12R1.127 O=C(O)CC1=C(Br)C=CC(F)=C1 MC40144 [0,2,0,0,0,0|0,0,0]=2 970 B12R1.127 O=C(O)CC1=C(Cl)C=CC(Br)=C1 CS16490 [0,2,0,0,0,0|0,0,0]=2 971 B12R1.127 O=C(O)CC1=C(Cl)C=CC(Cl)=C1 MC33155 [0,2,0,0,0,0|0,0,0]=2 972 B12R1.127 O=C(O)CC1=C(Cl)C=CC(F)=C1 CS21465 [0,2,0,0,0,0|0,0,0]=2 973 B12R1.127 O=C(O)CC1=C(F)C=CC(Br)=C1 MC40145 [0,2,0,0,0,0|0,0,0]=2 974 B12R1.127 O=C(O)CC1=C(F)C=CC(Cl)=C1 MC33095 [0,2,0,0,0,0|0,0,0]=2 975 B12R1.127 O=C(O)CC1=C(F)C=CC(F)=C1 CS20739 [0,2,0,0,0,0|0,0,0]=2 976 B12R1.127 O=C(O)CC1=C(O)C=CC(Br)=C1 MC40147 [0,2,0,0,0,0|0,0,0]=2 977 B12R1.224 CC(=O)NC1=C(Cl)C(C)=CC=C1 MC40957 [0,2,0,0,0,0|2,0,0]=4 978 B12R1.224 CC1=C(CC(=O)O)C=CC=C1F CS12682 [0,2,0,0,0,0|0,0,0]=2 979 B12R1.224 CC1=CC=CC(CC(=O)O)=C1C MC20108 [0,2,0,0,0,0|0,0,0]=2 980 B12R1.224 O=C(O)CC1=C(Cl)C(F)=CC=C1 CS13305 [0,2,0,0,0,0|0,0,0]=2 981 B12R1.224 O=C(O)CC1=C(F)C(F)=CC=C1 CS10729 [0,2,0,0,0,0|0,0,0]=2 982 B12R1.1009 CC1=C(CC(=O)O)C(O)=NC=C1 MC430197 [0,2,0,0,0,0|1,0,0]=3 983 B12R1.1009 CC1=CC=CC(C)=C1CC(=O)O MC431246 [0,2,0,0,0,0|0,0,0]=2 984 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1Cl MC20219 [0,2,0,0,0,0|0,0,0]=2 985 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1F MC40154 [0,2,0,0,0,0|0,0,0]=2 986 B12R1.1009 O=C(O)CC1=C(F)C=CC=C1F MC40162 [0,2,0,0,0,0|0,0,0]=2 987 B12R1.101 O=C(O)CC1=CC(Br)=CC(Br)=C1 CS21970 [0,2,0,0,0,0|0,0,0]=2 988 B12R1.101 O=C(O)CC1=CC(Br)=CC(F)=C1 CS15078 [0,2,0,0,0,0|0,0,0]=2 989 B12R1.101 O=C(O)CC1=CC(Cl)=CC(Cl)=C1 CS20844 [0,2,0,0,0,0|0,0,0]=2 990 B12R1.101 O=C(O)CC1=CC(Cl)=CC(F)=C1 MC40155 [0,2,0,0,0,0|0,0,0]=2 991 B12R1.101 O=C(O)CC1=CC(F)=CC(F)=C1 MC40164 [0,2,0,0,0,0|0,0,0]=2 992 B12R1.101 O=C(O)CC1=NC(F)=CC(Br)=C1 MC431118 [0,2,0,0,0,0|1,0,0]=3 993 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 MC40182 [0,2,0,0,0,0|0,0,0]=2 994 B12R1.438 COC1=CC=CC(CC(=O)O)=N1 MC432368 [0,2,0,0,0,0|1,0,0]=3 995 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 CS22343 [0,2,0,0,0,0|1,0,0]=3 996 B12R1.438 N#CC1=CC=CC(CC(=O)O)=C1 CS22261 [0,2,0,0,0,0|0,0,0]=2 997 B12R1.438 O=C(O)CC1=CC(CBr)=CC=C1 CS15773 [0,2,0,0,0,0|0,0,0]=2 998 B12R1.438 O=CC1=CC=CC(CC(=O)O)=C1 MC442713 [0,2,0,0,0,0|0,0,0]=2 999 B10R1.66 O=C(O)CCC1=CC=CN1 CS21786 [0,0,1,1,0,0|1,0,1]=4 1000 B10R1.66 O=C(O)CCC1=CC=CO1 MC41688 [0,0,1,1,0,0|1,0,1]=4 1001 B10R1.66 O=C(O)CCC1=CNC=C1 MC430255 [0,0,1,1,0,0|1,0,1]=4 1002 B10R1.66 O=C(O)\C=C\C1=CC=CO1 MC41690 [0,0,1,1,0,0|1,0,1]=4 1003 B10R1.66 O=C(O)\C=C\C1=COC=C1 MC425866 [0,0,1,1,0,0|1,0,1]=4 1004 B10R2.6 C1=CC=C(C2CO2)C=C1 MC20326 [1,0,0,1,0,0|0,0,1]=3 1005 B10R2.6 C1=CC=C(C2CO2)C=C1 MC445226 [1,0,0,1,0,0|0,0,1]=3 1006 B10R2.7 C1=CC2=C(C=C1)CSC2 MC114506 [1,0,0,1,0,0|2,0,0]=4 1007 B10R2.7 C1=CC2=C(C=C1)NC=N2 MC41756 [1,0,0,1,0,0|2,0,0]=4 1008 B10R2.7 C1=CC2=C(C=C1)OC=N2 CS10994 [1,0,0,1,0,0|1,0,0]=3 1009 B10R2.7 C1=CC2=C(C=C1)OCC2 CS20929 [1,0,0,1,0,0|0,0,1]=3 1010 B10R2.7 C1=CC2=C(C=C1)OCO2 CS20505 [1,0,0,1,0,0|1,0,1]=4 1011 B10R2.7 C1=CC2=C(C=C1)SC=C2 CS16362 [1,0,0,1,0,0|0,1,1]=4 1012 B10R2.7 C1=CC2=C(C=C1)SC=N2 CS10992 [1,0,0,1,0,0|1,1,0]=4 1013 B10R2.7 C1=CC2=CC=NC=C2O1 MC100123 [1,0,0,1,0,0|1,0,1]=4 1014 B10R2.7 C1=CC=C2CC=CC2=C1 MC20914 [1,0,0,1,0,0|1,0,0]=3 1015 B10R2.7 C1=CC=C2CNCC2=C1 CS11516 [1,0,0,1,0,0|2,0,0]=4 1016 B10R2.7 C1=CC=C2CNCC2=C1 MC442466 [1,0,0,1,0,0|2,0,0]=4 1017 B10R2.7 C1=CC=C2NC=CC2=C1 CS11496 [1,0,0,1,0,0|1,0,1]=4 1018 B10R2.7 C1=CC=C2NCCC2=C1 CS19084 [1,0,0,1,0,0|1,0,1]=4 1019 B10R2.7 C1=CC=C2OC=CC2=C1 CS11169 [1,0,0,1,0,0|0,0,1]=3 1020 B10R2.7 C1=CN=C2OC=CC2=C1 MC107657 [1,0,0,1,0,0|1,0,1]=4 1021 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [0,0,0,1,0,1|1,0,0]=3 1022 B12R2.24 O=C1C=C2C=CC=CC2=NN1 CS16596 [0,0,0,1,0,1|2,0,0]=4 1023 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [0,0,0,1,0,1|1,0,0]=3 1024 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [0,0,0,1,0,1|1,0,0]=3 1025 B12R2.24 O=C1CCC2=CC=CN=C2N1 MC113033 [0,0,0,1,0,1|2,0,0]=4 1026 B12R2.24 O=C1CCC2=CN=CC=C2N1 MC105357 [0,0,0,1,0,1|2,0,0]=4 1027 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [0,0,0,1,0,1|0,0,0]=2 1028 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [0,0,0,1,0,1|1,0,0]=3 1029 B12R2.24 O=C1COC2=C(C=CN=C2)N1 MC425525 [0,0,0,1,0,1|2,0,0]=4 1030 B12R2.24 O=C1COC2=C(C=NC=C2)N1 MC425642 [0,0,0,1,0,1|2,0,0]=4 1031 B12R2.24 O=C1CSC2=CC=CC=C2C1 MC107174 [0,0,0,1,0,1|1,0,0]=3 1032 B12R2.24 OC1=CC2=CC=CC=C2C=C1 CS21708 [0,0,0,1,0,1|1,0,1]=4 1033 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS19154 [0,0,0,1,0,1|1,0,1]=4 1034 B12R2.24 OC1=NC2=CC=CC=C2N=C1 CS21605 [0,0,0,1,0,1|1,0,1]=4 1035 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 MC111383 [0,1,0,1,0,0|1,0,1]=4 1036 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 CS11036 [0,1,0,1,0,0|2,0,0]=4 1037 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)O1 MC441288 [0,1,0,1,0,0|1,0,1]=4 1038 B12R2.606 CC1=CC=C2CC(=O)NC2=C1 CS10744 [0,1,0,1,0,0|1,0,0]=3 1039 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 CS15472 [0,1,0,1,0,0|1,0,0]=3 1040 B12R2.606 CC1=NC2=C(C=C(Br)C=C2)O1 CS10632 [0,1,0,1,0,0|2,0,0]=4 1041 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 MC442522 [0,1,0,1,0,0|2,0,0]=4 1042 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 MC427398 [0,1,0,1,0,0|2,0,0]=4 1043 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 MC442516 [0,1,0,1,0,0|2,0,0]=4 1044 B12R2.606 CC1=NC2=C(C=CC(Cl)=C2)O1 MC20465 [0,1,0,1,0,0|2,0,0]=4 1045 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 CS16740 [0,1,0,1,0,0|2,0,0]=4 1046 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)O2 MC31129 [0,1,0,1,0,0|2,0,0]=4 1047 B12R2.606 ClC1=CC2=C(C=C1)OC(Cl)=N2 MC31128 [0,1,0,1,0,0|2,0,0]=4 1048 B12R2.606 ClC1=NC2=C(C=CC(Br)=C2)O1 CS13138 [0,1,0,1,0,0|2,0,0]=4 1049 B12R2.606 FC1=CC2=C(C=C1)N=C(Cl)O2 CS15195 [0,1,0,1,0,0|2,0,0]=4 1050 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CS10376 [0,1,0,1,0,0|2,0,0]=4 1051 B12R2.606 NC1=CC2=C(C=C1)OC(=O)N2 MC111395 [0,1,0,1,0,0|1,0,0]=3 1052 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 CS21571 [0,1,0,1,0,0|1,0,0]=3 1053 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 MC427120 [0,1,0,1,0,0|1,0,0]=3 1054 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 MC446685 [0,1,0,1,0,0|1,0,0]=3 1055 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)O1 MC443172 [0,1,0,1,0,0|2,0,0]=4 1056 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)O1 MC106736 [0,1,0,1,0,0|2,0,0]=4 1057 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 CS22042 [0,1,0,1,0,0|1,0,0]=3 1058 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 CS10243 [0,1,0,1,0,0|2,0,0]=4 1059 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 CS22052 [0,1,0,1,0,0|1,0,0]=3 1060 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 MC113004 [0,1,0,1,0,0|2,0,0]=4 1061 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 MC100081 [0,1,0,1,0,0|2,0,0]=4 1062 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 CS22061 [0,1,0,1,0,0|1,0,0]=3 1063 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 CS20688 [0,1,0,1,0,0|1,0,0]=3 1064 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 CS22102 [0,1,0,1,0,0|1,0,0]=3 1065 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 CS22112 [0,1,0,1,0,0|1,0,0]=3 1066 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 MC113015 [0,1,0,1,0,0|2,0,0]=4 1067 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 MC113035 [0,1,0,1,0,0|2,0,0]=4 1068 B12R2.606 O=C1CC2=NC=C(F)C=C2N1 MC111563 [0,1,0,1,0,0|2,0,0]=4 1069 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 CS18286 [0,1,0,1,0,0|2,0,0]=4 1070 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 CS13902 [0,1,0,1,0,0|1,0,0]=3 1071 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)S1 CS15336 [0,1,0,1,0,0|1,1,0]=4 1072 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)N1 CS10315 [0,1,0,1,0,0|2,0,0]=4 1073 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)S1 MC31174 [0,1,0,1,0,0|1,1,0]=4 1074 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 MC425675 [0,1,0,1,0,0|2,0,0]=4 1075 B12R2.606 O=C1NC2=C(C=C(F)C=C2)S1 MC31175 [0,1,0,1,0,0|1,1,0]=4 1076 B12R2.606 O=C1NC2=C(C=C(I)C=C2)N1 MC101888 [0,1,0,1,0,0|2,0,0]=4 1077 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 MC443377 [0,1,0,1,0,0|1,0,0]=3 1078 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 MC445105 [0,1,0,1,0,0|2,0,0]=4 1079 B12R2.606 OC1CC2=CC=C(Br)C=C2C1 CS12609 [0,1,0,1,0,0|1,0,1]=4 1080 B12R2.606 S=C1NC2=C(C=CC(Cl)=C2)O1 CS10329 [0,1,0,1,0,0|1,1,0]=4 1081 B12R2.606 SC1=NC2=C(C=CC(Br)=C2)O1 CS10298 [0,1,0,1,0,0|1,1,0]=4 1082 B12R2.18 CC1CC2=CC=CC=C2C1=O MC446688 [0,1,0,1,0,0|1,0,1]=4 1083 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 MC10211 [0,1,0,1,0,0|1,0,0]=3 1084 B12R2.18 NC1C2=CC=CC=C2CC1O CS13576 [0,1,0,1,0,0|1,0,1]=4 1085 B12R2.18 NC1C2=CC=CC=C2CC1O MC20312 [0,1,0,1,0,0|1,0,1]=4 1086 B12R2.18 NC1CC2=CC=CC=C2C1O MC446701 [0,1,0,1,0,0|1,0,1]=4 1087 B12R2.18 O=C1NC2=CC=CC=C2C1=O CS11506 [0,1,0,1,0,0|1,0,1]=4 1088 B12R2.23 O=C1CCC1C2=CC=CC=C2 MC104226 [0,1,0,1,0,0|1,0,0]=3 1089 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 CS12836 [0,1,0,1,0,0|2,0,0]=4 1090 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 MC31049 [0,1,0,1,0,0|1,1,0]=4 1091 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 MC442523 [0,1,0,1,0,0|2,0,0]=4 1092 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 CS21513 [0,1,0,1,0,0|1,0,1]=4 1093 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 MC111185 [0,1,0,1,0,0|1,0,1]=4 1094 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 CS10964 [0,1,0,1,0,0|0,1,1]=4 1095 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS18099 [0,1,0,1,0,0|1,0,1]=4 1096 B12R2.32 O=CC1=CC2=NC=CC=C2O1 MC103691 [0,1,0,1,0,0|1,0,1]=4 1097 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 MC33243 [0,1,0,1,0,0|2,0,0]=4 1098 B12R2.32 OCC1=CC2=CC=CC=C2N1 CS20715 [0,1,0,1,0,0|1,0,1]=4 1099 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 MC10493 [0,1,0,1,0,0|2,0,0]=4 1100 B12R2.32 OCC1CC2=C(C=CC=C2)O1 CS21037 [0,1,0,1,0,0|0,0,2]=4 1101 B12R2.32 OCC1CC2=CC=CC=C2N1 MC105284 [0,1,0,1,0,0|1,0,1]=4 1102 B12R2.202 CC1=C2CC(=O)NC2=CC=C1 CS22978 [0,1,0,1,0,0|1,0,0]=3 1103 B12R2.202 CC1=NC2=C(C=CC=C2Br)O1 MC442517 [0,1,0,1,0,0|2,0,0]=4 1104 B12R2.202 CC1=NC2=C(O1)C(Br)=CC=C2 CS12799 [0,1,0,1,0,0|2,0,0]=4 1105 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 CS18574 [0,1,0,1,0,0|1,0,0]=3 1106 B12R2.202 O=C1CC2=C(Br)C=CN=C2N1 CS12508 [0,1,0,1,0,0|2,0,0]=4 1107 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 CS18158 [0,1,0,1,0,0|1,0,0]=3 1108 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 CS22838 [0,1,0,1,0,0|1,0,0]=3 1109 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 CS14679 [0,1,0,1,0,0|1,0,0]=3 1110 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 CS22741 [0,1,0,1,0,0|1,0,0]=3 1111 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 MC10111 [0,1,0,1,0,0|1,0,0]=3 1112 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 MC10168 [0,1,0,1,0,0|1,0,0]=3 1113 B12R2.202 O=C1NC2=C(C=CC=C2Cl)S1 MC31137 [0,1,0,1,0,0|1,1,0]=4 1114 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 CS15435 [0,1,0,1,0,0|1,1,0]=4 1115 B12R2.202 O=C1NC2=C(O1)C(Br)=CC=C2 CS14681 [0,1,0,1,0,0|1,0,0]=3 1116 B12R2.202 O=C1NC2=C(S1)C(Cl)=CC=C2 CS17214 [0,1,0,1,0,0|1,1,0]=4 1117 B8R1.8 O=CCC1=CC=CS1 CS17423 [1,0,0,0,1,0|1,0,0]=3 1118 B8R1.8 OCCC1=CC=CS1 CS14939 [1,0,0,0,1,0|1,0,1]=4 1119 B8R1.8 OCCC1=CSC=C1 CS20858 [1,0,0,0,1,0|1,0,1]=4 1120 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [0,0,0,0,2,0|2,0,0]=4 1121 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [0,0,0,0,2,0|2,0,0]=4 1122 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [0,0,0,0,2,0|2,0,0]=4 1123 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [0,0,0,0,2,0|1,0,0]=3 1124 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [0,0,0,0,2,0|1,0,0]=3 1125 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [0,0,0,0,2,0|1,0,0]=3 1126 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [0,0,0,0,2,0|2,0,0]=4 1127 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [0,0,0,0,2,0|2,0,0]=4 1128 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [0,0,0,0,2,0|1,0,0]=3 1129 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [0,0,0,0,2,0|2,0,0]=4 1130 B8R1.7 O=C(O)C1=CNN=C1 CS19027 [0,0,0,0,2,0|2,0,0]=4 1131 B8R1.7 O=C(O)C1=COC=C1 CS14540 [0,0,0,0,2,0|1,0,0]=3 1132 B8R1.7 O=C(O)C1=COC=N1 MC441322 [0,0,0,0,2,0|2,0,0]=4 1133 B8R1.7 O=C(O)C1=CON=C1 MC428244 [0,0,0,0,2,0|2,0,0]=4 1134 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [0,0,0,0,2,0|1,0,0]=3 1135 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [0,0,0,0,2,0|2,0,0]=4 1136 B8R1.7 O=C(O)C1=CSN=C1 CS22713 [0,0,0,0,2,0|2,0,0]=4 1137 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [0,0,0,0,2,0|2,0,0]=4 1138 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [0,0,0,0,2,0|2,0,0]=4 1139 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [0,0,0,0,2,0|2,0,0]=4 1140 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [0,0,0,0,2,0|2,0,0]=4 1141 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [0,0,0,0,2,0|2,0,0]=4 1142 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [0,0,0,0,2,0|2,0,0]=4 1143 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [0,0,0,0,0,2|1,0,0]=3 1144 B12R1.252 CC(C)=CCSC1=CC=CC=C1 MC41831 [0,0,0,0,0,2|2,0,0]=4 1145 B12R1.252 CC(O)COCC1=CC=CC=C1 CS20248 [0,0,0,0,0,2|1,0,1]=4 1146 B12R1.252 NC(=S)COCC1=CC=CC=C1 MC430689 [0,0,0,0,0,2|1,1,0]=4 1147 B12R1.252 O=C(O)CCCC1=NC=CC=C1 CS12802 [0,0,0,0,0,2|1,0,0]=3 1148 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MC40204 [0,0,0,0,0,2|0,0,0]=2 1149 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS21182 [0,0,0,0,0,2|0,0,0]=2 1150 B12R1.252 O=C(O)CNCC1=NC=CC=C1 MC105962 [0,0,0,0,0,2|1,0,0]=3 1151 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [0,0,0,0,0,2|0,0,0]=2