0 B10R1.18 BrC(Br)=CC1=CC=CC=C1 CS16193 [0,0,0,0,0,0|3,0,0]=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|1,0,0]=1 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|2,0,1]=3 8 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [0,0,0,0,0,0|1,0,1]=2 9 B10R1.18 FC(F)OC1=CC=CC=C1 MC41385 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.18 FC(F)OC1=NC=CC=C1 MC116213 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.18 FC(F)SC1=CC=CC=C1 MC428027 [0,0,0,0,0,0|2,1,1]=4 12 B10R1.18 NC(=O)CC1=NC=CC=N1 CS17323 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.18 NC(=S)NC1=NC=CC=C1 MC427166 [0,0,0,0,0,0|3,1,0]=4 16 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.18 O=C(O)CC1=CC=CN=N1 MC103920 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.18 O=C(O)CC1=CN=CN=C1 CS10494 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.18 O=C(O)CC1=CN=NC=C1 MC103838 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.18 O=C(O)CC1=NC=CC=N1 MC102381 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.18 O=C(O)CC1=NC=NC=C1 MC113226 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.18 O=C([O-])CC1=CN=NC=C1 MC103839 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.18 O=[N+]([O-])NC1=NC=CC=C1 MC427288 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.8 Br[Zn]Cc1ccccc1 MC121333 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.8 CCCC1=CC=CN=C1 CS22402 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 CCNC1=CC=CC=C1 MC40913 [1,0,0,0,0,0|1,0,1]=3 33 B9R1.8 CCOC1=NC=CC=C1 CS18732 [1,0,0,0,0,0|1,0,1]=3 34 B9R1.8 CCOC1=NC=CN=C1 CS21524 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.8 CNCC1=CC=CC=C1 MC10559 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 CNCC1=CC=CC=C1 MC20323 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 CNCC1=CC=CC=C1 MC21006 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 CNCC1=CC=CN=C1 CS18846 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.8 COCC1=NC=CC=C1 CS20909 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.8 FCCC1=CC=CC=C1 MC41557 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.8 NCCC1=CC=CC=C1 MC40983 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.8 NNCC1=CC=CC=C1 CS11006 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.8 NNCC1=CC=CC=C1 CS12127 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.8 NOCC1=CC=CC=C1 CS14063 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.8 O=C=NC1=CC=CC=C1 MC41051 [1,0,0,0,0,0|1,0,1]=3 47 B9R1.8 O=CCC1=CC=CN=C1 MC106360 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.8 O=CCC1=CC=NC=C1 MC106357 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 O=CCC1=NC=CC=N1 MC105911 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.8 O=CNC1=CC=CC=C1 MC40924 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.8 O=COC1=CC=CC=C1 MC40136 [1,0,0,0,0,0|0,0,0]=1 52 B9R1.8 OCCC1=CC=CC=C1 MC40745 [1,0,0,0,0,0|1,0,2]=4 53 B9R1.8 ONCC1=CC=CC=C1 CS11753 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 MC10315 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 CS22844 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 MC428013 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.20 CC(=O)NC1=CC=C(Cl)N=N1 MC443192 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 MC33116 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 CS19283 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.20 CC(=O)NC1=NC=C(Br)C=N1 MC443320 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 MC40002 [0,1,0,0,0,0|0,0,0]=1 62 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 MC20138 [0,1,0,0,0,0|0,0,0]=1 63 B11R1.20 CC(=O)OC1=CC=C(I)C=C1 MC103137 [0,1,0,0,0,0|0,0,0]=1 64 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 MC433485 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 MC443740 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.20 CC(C)NC1=CC=C(F)C=C1 CS22842 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.20 CC(C)OC1=CC=C(N)C=C1 CS10912 [0,1,0,0,0,0|1,0,1]=3 68 B11R1.20 CC(C)OC1=CC=C(O)C=C1 MC443483 [0,1,0,0,0,0|1,0,1]=3 69 B11R1.20 CC(C)OC1=CN=C(Br)C=C1 MC443766 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.20 CC(C)SC1=CC=C(O)C=C1 MC112512 [0,1,0,0,0,0|1,1,1]=4 71 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS21084 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 MC429948 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.20 CC1=CC=C(OC(F)F)C=C1 MC41389 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS14692 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.20 FC(F)=CC1=CC=C(Br)C=C1 MC442082 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.20 FC(F)OC1=CC=C(Cl)C=C1 MC41382 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.20 FC(F)OC1=CC=C(I)C=C1 MC41388 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.20 FC(F)Oc1ccc(Br)cc1 CS19168 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.20 FC1=CC=C(OC(F)F)C=C1 MC431385 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS21002 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.20 NC1=CC=C(OC(F)F)C=C1 CS13962 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.20 O=C(Cl)Oc1ccc(Br)cc1 MC434070 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.20 O=C(Cl)Oc1ccc(F)cc1 MC434069 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS20812 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 MC40158 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 CS10817 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.20 O=C(O)CC1=CC=C(F)N=C1 MC429488 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 CS20852 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 MC40180 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 MC40184 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 CS13319 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 CS14073 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.20 OC1=CC=C(OC(F)F)C=C1 MC41182 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 CS19083 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 MC443670 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS10890 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS14544 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 MC427369 [0,1,0,0,0,0|2,1,0]=4 99 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 CS15488 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.36 NC(=O)C(N)c1ccccc1 MC438104 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 CS15858 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS11192 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS14083 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.36 NC(C(=O)O)c1ccccc1 MC438102 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.36 NC(C(=O)O)c1ccccc1 MC438103 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10861 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10862 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS15279 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.40 CC(C#N)NC1=CC=CC=C1 MC428132 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.40 COC(=O)CC1=CC=CN=N1 MC103761 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.40 COC(=O)CC1=CN=NC=C1 MC101903 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.40 COC(=O)CC1=NC=NC=C1 MC104059 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.40 NC(CO)CC1=CC=CC=C1 CS21216 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.40 NC(CO)CC1=CC=CC=C1 MC425862 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.40 NNC(=O)CC1=CC=NC=C1 CS21751 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 MC10294 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 MC10318 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 MC427446 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 CS21203 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.86 CC(=O)NC1=NC=CC=C1O MC427313 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.86 CC(=O)OC1=C(C)C=CC=C1 MC40007 [0,1,0,0,0,0|0,0,0]=1 124 B11R1.86 CC(=S)NC1=C(Br)C=CC=C1 MC427451 [0,1,0,0,0,0|1,1,0]=3 125 B11R1.86 CC(C)OC1=C(N)C=CC=C1 CS13469 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.86 CC(C)OC1=NC=CC=C1Cl MC103348 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 CS21083 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.86 FC(F)OC1=C(Br)C=CC=C1 MC41371 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.86 FC(F)OC1=C(I)C=CC=C1 MC41387 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.86 NC(=S)NC1=C(Br)C=CC=C1 MC427415 [0,1,0,0,0,0|2,1,0]=4 131 B11R1.86 NC(=S)NC1=C(F)C=CC=C1 MC33179 [0,1,0,0,0,0|2,1,0]=4 132 B11R1.86 NC1=C(CC(=O)O)C=CC=C1 CS20995 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.86 NC1=C(CC(=O)O)C=NC=C1 MC111253 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.86 NC1=C(OC(F)F)C=CC=C1 MC40902 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.86 NC1=[N+](CC(=O)[O-])C=CC=C1 CS18077 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 CS20809 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 CS20826 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 MC429403 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 CS20849 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 CS20941 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.86 O=C(O)CC1=CC=CN=C1F MC429275 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.86 O=C(O)CC1=CC=CNC1=O MC430201 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.86 O=C(O)CC1=NC=CC=C1Cl CS19561 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.86 O=C(O)CC1=NC=CC=C1F MC431700 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.86 O=C(O)CC1=NC=CC=C1F MC432211 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.86 OC1=C(OC(F)F)C=CC=C1 MC431136 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS22187 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 CS11707 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 MC33114 [0,1,0,0,0,0|1,0,0]=2 150 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 CS22093 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.157 CC(=O)NC1=NC(=O)NC=C1 MC20703 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 CS16776 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.157 CC(=O)NC1=NC=CC(Cl)=C1 CS11715 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.157 CC(=O)NC1=NC=NC(N)=C1 MC115540 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.157 CC(=O)OC1=CC(Br)=CC=C1 MC40001 [0,1,0,0,0,0|0,0,0]=1 156 B11R1.157 CC(=O)OC1=CC(C)=CC=C1 MC40008 [0,1,0,0,0,0|0,0,0]=1 157 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 MC40004 [0,1,0,0,0,0|0,0,0]=1 158 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 MC443308 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.157 CC(C)OC1=CC(Br)=NC=C1 MC430482 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.157 CC(C)OC1=CC=CC(Br)=N1 MC431254 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.157 CC(C)OC1=CC=CC(O)=C1 MC112598 [0,1,0,0,0,0|1,0,1]=3 162 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 MC431740 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 MC113627 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.157 CN(C)CC1=CC=CC(O)=C1 MC425485 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.157 Cc1cccc(CC(=O)O)c1 MC433961 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.157 FC(F)=CC1=CC=CC(Br)=C1 MC442083 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.157 FC(F)OC1=CC(Br)=CC=C1 MC41372 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.157 NC(=S)NC1=CC(Br)=CC=C1 MC427249 [0,1,0,0,0,0|2,1,0]=4 169 B11R1.157 NC1=CC(OC(F)F)=CC=C1 CS13961 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 CS21911 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 CS10775 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 CS21923 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 MC40173 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 MC431564 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.157 O=C(O)CC1=CC(F)=NC=C1 MC430121 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 CS20851 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 CS20944 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.157 O=C(O)CC1=NC(Cl)=CC=C1 CS12801 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.157 OC1=CC(OC(F)F)=CC=C1 MC431656 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CS11014 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 MC20424 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.509 FC(F)(F)OC1=CC=CC=C1 MC41392 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 CS20418 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 CS20295 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 MC428333 [0,1,0,0,0,0|3,0,0]=4 186 B11R2.4 NC1CC1C2=CC=CC=C2 MC100890 [0,0,0,1,0,0|2,0,1]=4 187 B11R2.4 NC1CC1C2=CC=CC=C2 MC106461 [0,0,0,1,0,0|2,0,1]=4 188 B11R2.10 BrC1=CC2=CC=CC=C2C1 CS21490 [0,0,0,1,0,0|2,0,0]=3 189 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 CS21331 [0,0,0,1,0,0|3,0,0]=4 190 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 MC442524 [0,0,0,1,0,0|2,0,0]=3 191 B11R2.10 BrC1=NC2=C(C=CC=C2)S1 CS14031 [0,0,0,1,0,0|2,1,0]=4 192 B11R2.10 CC1=CC2=C(C=CN=C2)N1 CS15018 [0,0,0,1,0,0|3,0,0]=4 193 B11R2.10 CC1=CC2=CC=CC=C2C1 CS11052 [0,0,0,1,0,0|2,0,0]=3 194 B11R2.10 CC1=CC2=CC=CC=C2N1 CS18563 [0,0,0,1,0,0|2,0,0]=3 195 B11R2.10 CC1=CC2=CC=CN=C2N1 CS19733 [0,0,0,1,0,0|3,0,0]=4 196 B11R2.10 CC1=CC2=CC=NC=C2N1 MC104002 [0,0,0,1,0,0|3,0,0]=4 197 B11R2.10 CC1=CC2=NC=CC=C2N1 CS15017 [0,0,0,1,0,0|3,0,0]=4 198 B11R2.10 CC1=CN2C=CC=CC2=N1 CS21691 [0,0,0,1,0,0|3,0,0]=4 199 B11R2.10 CC1=NC2=C(C=CC=C2)N1 CS15288 [0,0,0,1,0,0|2,0,0]=3 200 B11R2.10 CC1=NC2=C(C=CC=C2)O1 MC31235 [0,0,0,1,0,0|1,0,0]=2 201 B11R2.10 CC1=NC2=C(C=CC=C2)S1 CS21687 [0,0,0,1,0,0|1,1,0]=3 202 B11R2.10 CC1=NC2=NC=CC=C2N1 CS21659 [0,0,0,1,0,0|3,0,0]=4 203 B11R2.10 CC1=NC2=NC=CC=C2O1 MC445727 [0,0,0,1,0,0|2,0,0]=3 204 B11R2.10 CC1CC2=CC=CC=C2N1 MC105455 [0,0,0,1,0,0|2,0,1]=4 205 B11R2.10 CC1CC2=CC=CC=C2N1 MC445120 [0,0,0,1,0,0|2,0,1]=4 206 B11R2.10 ClC1=CC2=CC=CC=C2N1 MC444183 [0,0,0,1,0,0|2,0,1]=4 207 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 CS21427 [0,0,0,1,0,0|3,0,0]=4 208 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 MC31172 [0,0,0,1,0,0|2,0,0]=3 209 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 CS20002 [0,0,0,1,0,0|2,1,0]=4 210 B11R2.10 ClC1=NC2=CC=CN=C2O1 MC442529 [0,0,0,1,0,0|3,0,0]=4 211 B11R2.10 ClC1=NC2=NC=CC=C2O1 MC115944 [0,0,0,1,0,0|3,0,0]=4 212 B11R2.10 NC1=CC2=C(C=CC=C2)S1 CS12846 [0,0,0,1,0,0|1,1,1]=4 213 B11R2.10 NC1=NC2=C(C=CC=C2)N1 CS16315 [0,0,0,1,0,0|3,0,0]=4 214 B11R2.10 NC1=NC2=C(C=CC=C2)O1 MC31149 [0,0,0,1,0,0|2,0,0]=3 215 B11R2.10 NC1=NC2=C(C=CC=C2)S1 MC41744 [0,0,0,1,0,0|2,1,0]=4 216 B11R2.10 NC1=NC2=C(C=CN=C2)O1 CS16592 [0,0,0,1,0,0|3,0,0]=4 217 B11R2.10 NC1=NC2=C(C=NC=C2)O1 MC443260 [0,0,0,1,0,0|3,0,0]=4 218 B11R2.10 NC1=NC2=CC=CN=C2O1 MC113797 [0,0,0,1,0,0|3,0,0]=4 219 B11R2.10 NC1=NC2=CC=CN=C2O1 MC442528 [0,0,0,1,0,0|3,0,0]=4 220 B11R2.10 NC1CC2=CC=CC=C2C1 CS19882 [0,0,0,1,0,0|2,0,1]=4 221 B11R2.10 NN1CC2=CC=CC=C2C1 MC442461 [0,0,0,1,0,0|3,0,0]=4 222 B11R2.10 O=C1CC2=C(C=CC=C2)O1 MC20944 [0,0,0,1,0,0|0,0,0]=1 223 B11R2.10 O=C1CC2=C(N=CN=C2)N1 MC101998 [0,0,0,1,0,0|3,0,0]=4 224 B11R2.10 O=C1CC2=CC=CC=C2C1 CS16080 [0,0,0,1,0,0|1,0,0]=2 225 B11R2.10 O=C1CC2=CC=CC=C2N1 CS15184 [0,0,0,1,0,0|1,0,0]=2 226 B11R2.10 O=C1CC2=CC=NC=C2N1 MC100071 [0,0,0,1,0,0|2,0,0]=3 227 B11R2.10 O=C1CC2=NC=CC=C2O1 MC106428 [0,0,0,1,0,0|1,0,0]=2 228 B11R2.10 O=C1CN2C=CC=CC2=N1 MC427358 [0,0,0,1,0,0|2,0,0]=3 229 B11R2.10 O=C1NC2=C(C=CC=C2)O1 CS15190 [0,0,0,1,0,0|1,0,0]=2 230 B11R2.10 O=C1NC2=CC=CN=C2N1 CS20518 [0,0,0,1,0,0|3,0,0]=4 231 B11R2.10 O=C1NC2=NC=CC=C2O1 CS18902 [0,0,0,1,0,0|2,0,0]=3 232 B11R2.10 O=C1OC2=C(C=CC=C2)O1 CS10973 [0,0,0,1,0,0|1,0,0]=2 233 B11R2.10 OC1=NC2=C(C=CC=C2)N1 CS20242 [0,0,0,1,0,0|2,0,1]=4 234 B11R2.10 OC1CC2=CC=CC=C2C1 CS21608 [0,0,0,1,0,0|1,0,2]=4 235 B11R2.10 ON1CC2=CC=CC=C2C1 MC41790 [0,0,0,1,0,0|2,0,1]=4 236 B11R2.10 SC1=NC2=C(C=CC=C2)N1 MC20678 [0,0,0,1,0,0|2,1,0]=4 237 B11R2.10 SC1=NC2=C(C=CC=C2)O1 MC20463 [0,0,0,1,0,0|1,1,0]=3 238 B11R2.238 C1=CC=C(CC2CN2)C=C1 CS19482 [0,0,0,1,0,0|2,0,1]=4 239 B11R2.238 C1=CC=C(SC2CC2)C=C1 MC20576 [0,0,0,1,0,0|1,1,1]=4 240 B9R1.6 C=C(C)C1=CC=NC=C1 MC111872 [0,0,0,0,1,0|2,0,0]=3 241 B9R1.6 C=C(F)C1=CC=CC=C1 MC102770 [0,0,0,0,1,0|1,0,1]=3 242 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [0,0,0,0,1,0|0,0,0]=1 243 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [0,0,0,0,1,0|1,0,0]=2 244 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [0,0,0,0,1,0|2,0,0]=3 245 B9R1.6 CC(=O)C1=CC=NC=C1 CS22535 [0,0,0,0,1,0|1,0,0]=2 246 B9R1.6 CC(=O)C1=CN=CN=C1 MC444371 [0,0,0,0,1,0|2,0,0]=3 247 B9R1.6 CC(=O)C1=CN=NC=C1 MC444309 [0,0,0,0,1,0|2,0,0]=3 248 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [0,0,0,0,1,0|1,0,0]=2 249 B9R1.6 CC(=O)C1=NC=CC=N1 MC444159 [0,0,0,0,1,0|2,0,0]=3 250 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [0,0,0,0,1,0|2,0,0]=3 251 B9R1.6 CC(=O)C1=NC=NC=C1 MC442362 [0,0,0,0,1,0|2,0,0]=3 252 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [0,0,0,0,1,0|1,0,1]=3 253 B9R1.6 CC(C)C1=NC=CC=C1 CS21621 [0,0,0,0,1,0|2,0,1]=4 254 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [0,0,0,0,1,0|1,0,1]=3 255 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [0,0,0,0,1,0|1,0,1]=3 256 B9R1.6 CC(N)C1=NC=CC=C1 CS15370 [0,0,0,0,1,0|2,0,1]=4 257 B9R1.6 CC(N)C1=NC=CC=C1 CS20271 [0,0,0,0,1,0|2,0,1]=4 258 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [0,0,0,0,1,0|0,0,2]=3 259 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [0,0,0,0,1,0|1,0,2]=4 260 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [0,0,0,0,1,0|1,0,2]=4 261 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [0,0,0,0,1,0|2,0,0]=3 262 B9R1.6 CN(C)C1=CC=NC=C1 CS13386 [0,0,0,0,1,0|3,0,0]=4 263 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [0,0,0,0,1,0|1,0,0]=2 264 B9R1.6 ClC(Cl)C1=CC=CC=C1 MC40608 [0,0,0,0,1,0|2,0,1]=4 265 B9R1.6 FC(F)C1=CC=CC=C1 MC41442 [0,0,0,0,1,0|2,0,1]=4 266 B9R1.6 N=C(N)C1=CC=CC=C1 CS14830 [0,0,0,0,1,0|2,0,0]=3 267 B9R1.6 N=C(N)C1=CN=CC=C1 CS19487 [0,0,0,0,1,0|3,0,0]=4 268 B9R1.6 N=C(N)C1=NC=CC=C1 CS19100 [0,0,0,0,1,0|3,0,0]=4 269 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [0,0,0,0,1,0|1,0,0]=2 270 B9R1.6 NC(=O)C1=CC=NC=C1 CS13721 [0,0,0,0,1,0|2,0,0]=3 271 B9R1.6 NC(=O)C1=NC=CC=C1 CS11910 [0,0,0,0,1,0|2,0,0]=3 272 B9R1.6 NC(=O)C1=NC=CN=C1 CS13379 [0,0,0,0,1,0|3,0,0]=4 273 B9R1.6 NC(=O)C1=NC=CN=C1 MC427375 [0,0,0,0,1,0|3,0,0]=4 274 B9R1.6 NC(=S)C1=CC=CC=C1 MC20863 [0,0,0,0,1,0|1,1,0]=3 275 B9R1.6 O=C(Cl)C1=CC=CC=C1 MC40435 [0,0,0,0,1,0|1,0,0]=2 276 B9R1.6 O=C(Cl)C1=NC=CC=C1 CS11857 [0,0,0,0,1,0|2,0,0]=3 277 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [0,0,0,0,1,0|1,0,0]=2 278 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [0,0,0,0,1,0|2,0,0]=3 279 B9R1.6 O=C(O)C1=CC=CN=N1 CS19741 [0,0,0,0,1,0|3,0,0]=4 280 B9R1.6 O=C(O)C1=CN=CN=C1 CS17525 [0,0,0,0,1,0|3,0,0]=4 281 B9R1.6 O=C(O)C1=CN=NC=C1 MC41706 [0,0,0,0,1,0|3,0,0]=4 282 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [0,0,0,0,1,0|2,0,0]=3 283 B9R1.6 O=C(O)C1=NC=CC=N1 CS18229 [0,0,0,0,1,0|3,0,0]=4 284 B9R1.6 O=C(O)C1=NC=CN=C1 CS17531 [0,0,0,0,1,0|3,0,0]=4 285 B9R1.6 O=C(O)C1=NC=NC=C1 CS14129 [0,0,0,0,1,0|3,0,0]=4 286 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 MC41586 [0,0,0,0,1,0|2,0,0]=3 287 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 CS22384 [0,0,0,0,1,0|3,0,0]=4 288 B9R1.6 OB(O)C1=CC=CC=C1 CS19450 [0,0,0,0,1,0|2,0,1]=4 289 B9R1.13 O=C(O)CC1=CC=CS1 CS23025 [0,0,0,0,1,0|3,0,0]=4 290 B9R1.13 O=C(O)CC1=CNC=C1 MC106680 [0,0,0,0,1,0|3,0,0]=4 291 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [0,0,0,0,0,1|0,0,0]=1 292 B11R1.91 CC(=O)NCC1=CN=CN=C1 MC105786 [0,0,0,0,0,1|3,0,0]=4 293 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [0,0,0,0,0,1|1,0,0]=2 294 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [0,0,0,0,0,1|3,0,0]=4 295 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [0,0,0,0,0,1|1,0,0]=2 296 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS21725 [0,0,0,0,0,1|2,0,0]=3 297 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [0,0,0,0,0,1|1,0,0]=2 298 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS10957 [0,0,0,0,0,1|2,0,0]=3 299 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425129 [0,0,0,0,0,1|3,0,0]=4 300 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425915 [0,0,0,0,0,1|3,0,0]=4 301 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [0,0,0,0,0,1|2,0,0]=3 302 B11R1.91 O=C(O)COC1=CC=NC=C1 MC443726 [0,0,0,0,0,1|2,0,0]=3 303 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [0,0,0,0,0,1|2,0,0]=3 304 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20186 [0,0,0,0,0,1|3,0,0]=4 305 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20799 [0,0,0,0,0,1|3,0,0]=4 306 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [0,0,0,0,0,1|3,0,0]=4 307 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 MC443830 [0,0,0,0,0,1|3,0,0]=4 308 B8R1.2 C#CC1=CC=CC=C1 CS19127 [2,0,0,0,0,0|0,0,2]=4 309 B8R1.2 CCC1=CC=CC=C1 MC41556 [2,0,0,0,0,0|0,0,1]=3 310 B8R1.2 CCC1=CC=CN=C1 CS22277 [2,0,0,0,0,0|1,0,1]=4 311 B8R1.2 CNC1=CC=CC=C1 CS11792 [2,0,0,0,0,0|1,0,0]=3 312 B8R1.2 CNC1=CC=CN=C1 CS13856 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.2 CNC1=CC=NC=C1 MC41620 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.2 COC1=CC=CC=C1 MC41309 [2,0,0,0,0,0|0,0,0]=2 315 B8R1.2 COC1=CC=CN=C1 CS22348 [2,0,0,0,0,0|1,0,0]=3 316 B8R1.2 COC1=CC=CN=N1 CS22347 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.2 COC1=CC=NC=C1 CS19206 [2,0,0,0,0,0|1,0,0]=3 318 B8R1.2 COC1=CN=CN=C1 MC428182 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.2 COC1=CN=NC=C1 MC427243 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.2 COC1=NC=CC=C1 CS18780 [2,0,0,0,0,0|1,0,0]=3 321 B8R1.2 COC1=NC=CN=C1 CS17887 [2,0,0,0,0,0|2,0,0]=4 322 B8R1.2 CSC1=CC=CC=C1 MC439137 [2,0,0,0,0,0|0,1,0]=3 323 B8R1.2 CSC1=NC=CC=C1 MC41628 [2,0,0,0,0,0|1,1,0]=4 324 B8R1.2 ICC1=CC=CC=C1 CS11000 [2,0,0,0,0,0|1,0,1]=4 325 B8R1.2 I[Zn]c1ccccc1 MC121332 [2,0,0,0,0,0|2,0,0]=4 326 B8R1.2 N#CC1=CC=CC=C1 MC40623 [2,0,0,0,0,0|1,0,1]=4 327 B8R1.2 N#Cc1ccccc1 CS13696 [2,0,0,0,0,0|1,0,1]=4 328 B8R1.2 NCC1=CC=CC=C1 MC40797 [2,0,0,0,0,0|1,0,1]=4 329 B8R1.2 NNC1=CC=CC=C1 CS15210 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.2 NNC1=CC=CC=C1 MC427075 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.2 O=CC1=CC=CN=N1 MC121079 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.2 O=CC1=CN=CC=C1 CS19090 [2,0,0,0,0,0|1,0,0]=3 333 B8R1.2 O=CC1=CN=CN=C1 CS19643 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.2 O=CC1=CN=NC=C1 MC444362 [2,0,0,0,0,0|2,0,0]=4 335 B8R1.2 O=CC1=NC=CC=C1 CS18610 [2,0,0,0,0,0|1,0,0]=3 336 B8R1.2 O=CC1=NC=CC=N1 MC444571 [2,0,0,0,0,0|2,0,0]=4 337 B8R1.2 O=CC1=NC=CN=C1 CS18375 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.2 O=NC1=CC=CC=C1 MC33163 [2,0,0,0,0,0|1,0,0]=3 339 B8R1.2 OCC1=CC=CC=C1 MC40684 [2,0,0,0,0,0|0,0,2]=4 340 B10R1.1 C=COC1=CC=C(I)C=C1 MC103309 [1,1,0,0,0,0|0,0,1]=3 341 B10R1.1 CCCC1=CC=C(Br)C=C1 CS10896 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.1 CCOC1=CC=C(Br)C=C1 MC446797 [1,1,0,0,0,0|0,0,1]=3 343 B10R1.1 CCOC1=CC=C(I)C=C1 CS22907 [1,1,0,0,0,0|0,0,1]=3 344 B10R1.1 CCOC1=CC=C(N)C=C1 CS11879 [1,1,0,0,0,0|0,0,1]=3 345 B10R1.1 CCOC1=CN=C(N)C=C1 CS15063 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.1 CCOC1=NC=C(Br)C=C1 CS22026 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.1 CCOC1=NC=C(N)C=C1 CS14713 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.1 CNCC1=CC=C(Br)C=C1 CS19272 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.1 CNCC1=CC=C(C)C=C1 CS11795 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.1 O=C=NC1=CC=C(Br)C=C1 MC41032 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.1 O=C=NC1=CC=C(F)C=C1 MC33036 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.1 O=CCC1=CC=C(Br)C=C1 CS18203 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.1 O=CNC1=CC=C(Cl)C=C1 MC103067 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.4 CCOC1=C(Br)C=CC=C1 MC20149 [1,1,0,0,0,0|0,0,1]=3 355 B10R1.4 CCOC1=C(Br)C=NC=C1 MC443330 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.4 CCOC1=C(N)C=CC=C1 CS11823 [1,1,0,0,0,0|0,0,1]=3 357 B10R1.4 CCOC1=C(N)C=CN=C1 MC442472 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.4 CCOC1=C(O)C=CC=C1 MC41194 [1,1,0,0,0,0|0,0,1]=3 359 B10R1.4 CCOC1=CC=CN=C1C MC443397 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.4 CCOC1=CC=CN=C1O MC110935 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.4 CNCC1=C(F)C=CC=C1 MC40828 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.4 COCC1=C(Br)C=CC=C1 MC41399 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.4 O=C=NC1=C(Br)C=CC=C1 MC41031 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.4 O=C=NC1=C(F)C=CC=C1 MC429405 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.4 O=CCC1=C(F)C=CC=C1 MC431003 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.10 C=CCC1=CC=CC(O)=C1 MC425380 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.10 CCCc1cccc(F)c1 MC440476 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.10 CCOC1=CC(Br)=NC=C1 MC430483 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.10 CCOC1=CC(N)=NC=C1 MC20309 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.10 CCOC1=CC=CC(N)=N1 MC33459 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.10 CCOC1=CN=CC(Br)=C1 MC107004 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.10 CCOC1=CN=CC(Cl)=C1 MC443271 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.10 CCOC1=NC=CC(Cl)=C1 MC113277 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.10 O=C=NC1=CC(F)=CC=C1 MC41043 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.10 O=CCC1=CC(O)=CC=C1 MC106361 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.15 C=CC(N)C1=CC=CC=C1 MC102512 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [1,1,0,0,0,0|0,0,1]=3 383 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [1,1,0,0,0,0|0,0,1]=3 385 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [1,1,0,0,0,0|0,0,1]=3 387 B10R1.17 NCCOC1=CC=CN=C1 CS16368 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.17 O=CC#CC1=CC=CC=C1 CS18196 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [1,1,0,0,0,0|0,0,1]=3 390 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [0,1,0,0,1,0|1,0,0]=3 391 B10R1.13 C=C(C)C1=CN=C(Cl)C=C1 MC107618 [0,1,0,0,1,0|2,0,0]=4 392 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [0,1,0,0,1,0|0,0,0]=2 393 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS17999 [0,1,0,0,1,0|1,0,0]=3 394 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [0,1,0,0,1,0|0,0,0]=2 395 B10R1.13 CC(=O)C1=CC=C(C)N=N1 MC112296 [0,1,0,0,1,0|2,0,0]=4 396 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [0,1,0,0,1,0|0,0,0]=2 397 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS19687 [0,1,0,0,1,0|1,0,0]=3 398 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 MC104987 [0,1,0,0,1,0|2,0,0]=4 399 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [0,1,0,0,1,0|0,0,0]=2 400 B10R1.13 CC(=O)C1=CC=C(F)N=C1 CS16982 [0,1,0,0,1,0|1,0,0]=3 401 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [0,1,0,0,1,0|0,0,0]=2 402 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [0,1,0,0,1,0|0,0,0]=2 403 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [0,1,0,0,1,0|1,0,0]=3 404 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [0,1,0,0,1,0|1,0,0]=3 405 B10R1.13 CC(=O)C1=CN=C(C)N=C1 MC444074 [0,1,0,0,1,0|2,0,0]=4 406 B10R1.13 CC(=O)C1=CN=C(N)N=C1 CS17494 [0,1,0,0,1,0|2,0,0]=4 407 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [0,1,0,0,1,0|1,0,0]=3 408 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 CS17050 [0,1,0,0,1,0|2,0,0]=4 409 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [0,1,0,0,1,0|1,0,0]=3 410 B10R1.13 CC(=O)C1=NC=C(C)N=C1 MC444078 [0,1,0,0,1,0|2,0,0]=4 411 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [0,1,0,0,1,0|1,0,0]=3 412 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 CS14519 [0,1,0,0,1,0|2,0,0]=4 413 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [0,1,0,0,1,0|1,0,0]=3 414 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [0,1,0,0,1,0|1,0,0]=3 415 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [0,1,0,0,1,0|0,0,0]=2 416 B10R1.13 CC(Br)C1=CC=C(F)C=C1 CS16140 [0,1,0,0,1,0|1,0,1]=4 417 B10R1.13 CC(C)C1=CC=C(Br)C=C1 CS19162 [0,1,0,0,1,0|1,0,1]=4 418 B10R1.13 CC(C)C1=CC=C(N)C=C1 CS22915 [0,1,0,0,1,0|1,0,1]=4 419 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS10540 [0,1,0,0,1,0|1,0,1]=4 420 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS20256 [0,1,0,0,1,0|1,0,1]=4 421 B10R1.13 CC(N)C1=CC=C(F)C=C1 CS19253 [0,1,0,0,1,0|1,0,1]=4 422 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC40832 [0,1,0,0,1,0|1,0,1]=4 423 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC429424 [0,1,0,0,1,0|1,0,1]=4 424 B10R1.13 CC(N)C1=CC=C(I)C=C1 MC113505 [0,1,0,0,1,0|1,0,1]=4 425 B10R1.13 CC(N)C1=CC=C(N)C=C1 CS22422 [0,1,0,0,1,0|1,0,1]=4 426 B10R1.13 CC(N)c1ccc(Cl)cc1 MC433903 [0,1,0,0,1,0|1,0,1]=4 427 B10R1.13 CC(O)C1=CC=C(F)C=C1 MC33129 [0,1,0,0,1,0|0,0,2]=4 428 B10R1.13 CC(O)C1=CC=C(N)C=C1 MC40728 [0,1,0,0,1,0|0,0,2]=4 429 B10R1.13 CC1=CC=C(C(=N)N)C=C1 CS20439 [0,1,0,0,1,0|2,0,0]=4 430 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 MC40494 [0,1,0,0,1,0|1,0,0]=3 431 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [0,1,0,0,1,0|1,0,0]=3 432 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [0,1,0,0,1,0|1,0,0]=3 433 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 CS11896 [0,1,0,0,1,0|2,0,0]=4 434 B10R1.13 CC1=CC=C(S(N)=O)C=C1 CS18822 [0,1,0,0,1,0|2,0,0]=4 435 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS10458 [0,1,0,0,1,0|2,0,0]=4 436 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS17310 [0,1,0,0,1,0|2,0,0]=4 437 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS20324 [0,1,0,0,1,0|2,0,0]=4 438 B10R1.13 CC1=NC=C(C(N)=O)C=C1 CS18427 [0,1,0,0,1,0|2,0,0]=4 439 B10R1.13 CN(C)C1=CC=C(Br)C=C1 CS15132 [0,1,0,0,1,0|2,0,0]=4 440 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 MC20289 [0,1,0,0,1,0|2,0,0]=4 441 B10R1.13 CN(C)C1=CC=C(I)C=C1 CS16430 [0,1,0,0,1,0|2,0,0]=4 442 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS16528 [0,1,0,0,1,0|2,0,0]=4 443 B10R1.13 CN(C)C1=CC=C(O)C=C1 MC442505 [0,1,0,0,1,0|2,0,0]=4 444 B10R1.13 Cc1ccc(C(C)C)cc1 MC444976 [0,1,0,0,1,0|1,0,1]=4 445 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 MC21022 [0,1,0,0,1,0|2,0,0]=4 446 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CS20283 [0,1,0,0,1,0|2,0,0]=4 447 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS18318 [0,1,0,0,1,0|2,0,0]=4 448 B10R1.13 N=C(N)C1=CC=C(N)C=C1 CS21974 [0,1,0,0,1,0|2,0,0]=4 449 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS10426 [0,1,0,0,1,0|1,0,0]=3 450 B10R1.13 NC(=O)C1=CN=C(N)C=C1 MC425266 [0,1,0,0,1,0|2,0,0]=4 451 B10R1.13 NC(=O)C1=CNC(=O)C=C1 MC427340 [0,1,0,0,1,0|2,0,0]=4 452 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 MC41603 [0,1,0,0,1,0|2,0,0]=4 453 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 MC33351 [0,1,0,0,1,0|2,0,0]=4 454 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS16336 [0,1,0,0,1,0|2,0,0]=4 455 B10R1.13 NC(=O)C1=NC=C(N)C=C1 CS10223 [0,1,0,0,1,0|2,0,0]=4 456 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS20343 [0,1,0,0,1,0|1,1,0]=4 457 B10R1.13 NC1=CC=C(C(=O)O)C=C1 MC40224 [0,1,0,0,1,0|1,0,0]=3 458 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 CS22580 [0,1,0,0,1,0|1,0,0]=3 459 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 MC40934 [0,1,0,0,1,0|2,0,0]=4 460 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS19367 [0,1,0,0,1,0|2,0,0]=4 461 B10R1.13 NC1=NC=C(C(=O)O)C=C1 CS19354 [0,1,0,0,1,0|2,0,0]=4 462 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 MC40440 [0,1,0,0,1,0|1,0,0]=3 463 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 MC40474 [0,1,0,0,1,0|1,0,0]=3 464 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 MC433701 [0,1,0,0,1,0|1,0,0]=3 465 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 CS20082 [0,1,0,0,1,0|1,0,0]=3 466 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS15821 [0,1,0,0,1,0|1,0,0]=3 467 B10R1.13 O=C(O)C1=CC=C(F)C=C1 MC40280 [0,1,0,0,1,0|1,0,0]=3 468 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS20135 [0,1,0,0,1,0|1,0,0]=3 469 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [0,1,0,0,1,0|1,0,0]=3 470 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 CS22092 [0,1,0,0,1,0|2,0,0]=4 471 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 CS22101 [0,1,0,0,1,0|2,0,0]=4 472 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CS18891 [0,1,0,0,1,0|2,0,0]=4 473 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CS19189 [0,1,0,0,1,0|2,0,0]=4 474 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS22033 [0,1,0,0,1,0|2,0,0]=4 475 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS19376 [0,1,0,0,1,0|2,0,0]=4 476 B10R1.13 O=C(O)C1=NC=C(F)C=C1 CS10387 [0,1,0,0,1,0|2,0,0]=4 477 B10R1.13 O=C(O)C1=NC=C(I)C=C1 CS10412 [0,1,0,0,1,0|2,0,0]=4 478 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CS22997 [0,1,0,0,1,0|2,0,0]=4 479 B10R1.13 O=C([O-])C1=CC=C(Br)C=C1 MC40334 [0,1,0,0,1,0|1,0,0]=3 480 B10R1.13 O=C([O-])C1=CC=C(Cl)C=C1 MC40337 [0,1,0,0,1,0|1,0,0]=3 481 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 MC40351 [0,1,0,0,1,0|1,0,0]=3 482 B10R1.13 O=[N+]([O-])C1=CC=C(Br)C=C1 CS18786 [0,1,0,0,1,0|2,0,0]=4 483 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 CS22843 [0,1,0,0,1,0|2,0,0]=4 484 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 CS19234 [0,1,0,0,1,0|2,0,0]=4 485 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 MC41207 [0,1,0,0,1,0|2,0,0]=4 486 B10R1.13 O=[N+]([O-])c1ccc(Cl)cc1 MC41577 [0,1,0,0,1,0|2,0,0]=4 487 B10R1.28 CC(C)(C)C1=CC=CC=C1 MC41559 [0,1,0,0,1,0|1,0,1]=4 488 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 MC100403 [0,1,0,0,1,0|1,0,0]=3 489 B10R1.28 CS(=O)(=O)C1=CC=NC=C1 MC33441 [0,1,0,0,1,0|2,0,0]=4 490 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 CS12052 [0,1,0,0,1,0|2,0,0]=4 491 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 CS11135 [0,1,0,0,1,0|1,1,0]=4 492 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 CS10507 [0,1,0,0,1,0|2,0,0]=4 493 B10R1.28 O=P(Cl)(Cl)C1=CC=CC=C1 MC20369 [0,1,0,0,1,0|2,0,0]=4 494 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 CS19698 [0,1,0,0,1,0|2,0,0]=4 495 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 CS18866 [0,1,0,0,1,0|0,0,0]=2 496 B10R1.61 CC(=O)C1=C(C)C=CC=C1 CS19710 [0,1,0,0,1,0|0,0,0]=2 497 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 MC41234 [0,1,0,0,1,0|0,0,0]=2 498 B10R1.61 CC(=O)C1=C(F)C=CC=C1 CS15490 [0,1,0,0,1,0|0,0,0]=2 499 B10R1.61 CC(=O)C1=C(F)C=NC=C1 MC113260 [0,1,0,0,1,0|1,0,0]=3 500 B10R1.61 CC(=O)C1=C(N)C=CC=C1 CS19948 [0,1,0,0,1,0|0,0,0]=2 501 B10R1.61 CC(=O)C1=C(N)C=NC=C1 MC427146 [0,1,0,0,1,0|1,0,0]=3 502 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [0,1,0,0,1,0|0,0,0]=2 503 B10R1.61 CC(=O)C1=C(O)C=NC=C1 MC427306 [0,1,0,0,1,0|1,0,0]=3 504 B10R1.61 CC(=O)C1=CC=CN=C1Br CS18506 [0,1,0,0,1,0|1,0,0]=3 505 B10R1.61 CC(=O)C1=CC=CN=C1Cl CS18365 [0,1,0,0,1,0|1,0,0]=3 506 B10R1.61 CC(=O)C1=CC=CN=C1O MC427454 [0,1,0,0,1,0|1,0,0]=3 507 B10R1.61 CC(=O)C1=CN=CN=C1C CS17792 [0,1,0,0,1,0|2,0,0]=4 508 B10R1.61 CC(=O)C1=NC=CC=C1Br CS16209 [0,1,0,0,1,0|1,0,0]=3 509 B10R1.61 CC(=O)C1=NC=CC=C1Cl MC425055 [0,1,0,0,1,0|1,0,0]=3 510 B10R1.61 CC(=O)C1=NC=CC=C1F CS16198 [0,1,0,0,1,0|1,0,0]=3 511 B10R1.61 CC(=O)C1=NC=CC=C1O CS14450 [0,1,0,0,1,0|1,0,0]=3 512 B10R1.61 CC(=O)C1=NC=CN=C1Cl MC444224 [0,1,0,0,1,0|2,0,0]=4 513 B10R1.61 CC(=O)C1=NC=CN=C1N CS15534 [0,1,0,0,1,0|2,0,0]=4 514 B10R1.61 CC(=O)C1=NC=NC=C1Br MC115898 [0,1,0,0,1,0|2,0,0]=4 515 B10R1.61 CC(C)C1=C(Br)C=CC=C1 CS19988 [0,1,0,0,1,0|1,0,1]=4 516 B10R1.61 CC(N)C1=C(Br)C=CC=C1 CS20301 [0,1,0,0,1,0|1,0,1]=4 517 B10R1.61 CC(N)C1=C(F)C=CC=C1 CS20318 [0,1,0,0,1,0|1,0,1]=4 518 B10R1.61 CC(N)C1=C(F)C=CC=C1 MC429423 [0,1,0,0,1,0|1,0,1]=4 519 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 CS13547 [0,1,0,0,1,0|0,0,2]=4 520 B10R1.61 CC(O)C1=C(F)C=CC=C1 CS15513 [0,1,0,0,1,0|0,0,2]=4 521 B10R1.61 CC(O)C1=C(F)C=CC=C1 MC33138 [0,1,0,0,1,0|0,0,2]=4 522 B10R1.61 CC1=C(C(=O)O)C=CC=C1 CS19823 [0,1,0,0,1,0|1,0,0]=3 523 B10R1.61 CC1=C(C(=O)O)C=CC=N1 CS18975 [0,1,0,0,1,0|2,0,0]=4 524 B10R1.61 CC1=C(C(=O)O)C=CN=C1 CS22360 [0,1,0,0,1,0|2,0,0]=4 525 B10R1.61 CC1=C(C(N)=O)C=CC=N1 CS22408 [0,1,0,0,1,0|2,0,0]=4 526 B10R1.61 CC1=C(C(N)=O)C=NC=C1 MC33526 [0,1,0,0,1,0|2,0,0]=4 527 B10R1.61 CC1=C([N+](=O)[O-])C=CC=C1 MC41522 [0,1,0,0,1,0|2,0,0]=4 528 B10R1.61 CC1=CC=CN=C1C(=O)O CS19680 [0,1,0,0,1,0|2,0,0]=4 529 B10R1.61 CC1=CC=NC=C1C(=O)O CS22976 [0,1,0,0,1,0|2,0,0]=4 530 B10R1.61 CC1=CC=NC=C1C(=O)O CS22977 [0,1,0,0,1,0|2,0,0]=4 531 B10R1.61 CN(C)C1=C(Br)C=CC=C1 MC20183 [0,1,0,0,1,0|2,0,0]=4 532 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 MC20288 [0,1,0,0,1,0|2,0,0]=4 533 B10R1.61 CN(C)C1=C(F)C=CC=C1 MC20285 [0,1,0,0,1,0|2,0,0]=4 534 B10R1.61 CN(C)C1=C(O)C=CC=C1 CS14782 [0,1,0,0,1,0|2,0,0]=4 535 B10R1.61 CN(C)C1=CC=CC=C1N CS14204 [0,1,0,0,1,0|2,0,0]=4 536 B10R1.61 Cc1ccccc1C(C)Br MC106119 [0,1,0,0,1,0|1,0,1]=4 537 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 CS20174 [0,1,0,0,1,0|1,0,0]=3 538 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 CS12247 [0,1,0,0,1,0|2,0,0]=4 539 B10R1.61 NC(=O)C1=C(Br)N=CC=C1 CS21404 [0,1,0,0,1,0|2,0,0]=4 540 B10R1.61 NC(=O)C1=C(F)C=CC=C1 MC41021 [0,1,0,0,1,0|1,0,0]=3 541 B10R1.61 NC(=O)C1=C(I)C=CC=C1 MC433808 [0,1,0,0,1,0|1,0,0]=3 542 B10R1.61 NC(=O)C1=C(N)C=NC=C1 CS22071 [0,1,0,0,1,0|2,0,0]=4 543 B10R1.61 NC(=O)C1=C(N)N=CC=C1 CS22407 [0,1,0,0,1,0|2,0,0]=4 544 B10R1.61 NC(=O)C1=C(O)C=CC=C1 CS11941 [0,1,0,0,1,0|1,0,0]=3 545 B10R1.61 NC(=O)C1=CC=CN=C1Cl CS19049 [0,1,0,0,1,0|2,0,0]=4 546 B10R1.61 NC(=O)C1=CN=CC=C1Cl CS22796 [0,1,0,0,1,0|2,0,0]=4 547 B10R1.61 NC(=O)C1=NC=CC=C1N CS18340 [0,1,0,0,1,0|2,0,0]=4 548 B10R1.61 NC1=C(C(=O)O)C=CC=N1 CS21827 [0,1,0,0,1,0|2,0,0]=4 549 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS17968 [0,1,0,0,1,0|2,0,0]=4 550 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS21908 [0,1,0,0,1,0|2,0,0]=4 551 B10R1.61 NC1=C([N+](=O)[O-])C=CC=C1 MC40933 [0,1,0,0,1,0|2,0,0]=4 552 B10R1.61 NC1=CC=CN=C1C(=O)O CS17409 [0,1,0,0,1,0|2,0,0]=4 553 B10R1.61 NC1=CC=CN=C1C(=O)O CS19360 [0,1,0,0,1,0|2,0,0]=4 554 B10R1.61 NC1=CC=NC=C1C(=O)O CS21982 [0,1,0,0,1,0|2,0,0]=4 555 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 MC40438 [0,1,0,0,1,0|1,0,0]=3 556 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 MC40472 [0,1,0,0,1,0|1,0,0]=3 557 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 CS19188 [0,1,0,0,1,0|1,0,0]=3 558 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 CS16216 [0,1,0,0,1,0|1,0,0]=3 559 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 CS22916 [0,1,0,0,1,0|2,0,0]=4 560 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 CS22912 [0,1,0,0,1,0|2,0,0]=4 561 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 CS16220 [0,1,0,0,1,0|2,0,0]=4 562 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 CS18848 [0,1,0,0,1,0|2,0,0]=4 563 B10R1.61 O=C(O)C1=C(F)C=CC=C1 CS10366 [0,1,0,0,1,0|1,0,0]=3 564 B10R1.61 O=C(O)C1=C(F)C=NC=C1 CS19033 [0,1,0,0,1,0|2,0,0]=4 565 B10R1.61 O=C(O)C1=C(F)N=CC=C1 CS18890 [0,1,0,0,1,0|2,0,0]=4 566 B10R1.61 O=C(O)C1=C(I)C=CC=C1 CS20137 [0,1,0,0,1,0|1,0,0]=3 567 B10R1.61 O=C(O)C1=C(I)N=CC=C1 MC443233 [0,1,0,0,1,0|2,0,0]=4 568 B10R1.61 O=C(O)C1=C(O)C=CC=C1 MC40289 [0,1,0,0,1,0|1,0,0]=3 569 B10R1.61 O=C(O)C1=C(O)C=NC=C1 CS22995 [0,1,0,0,1,0|2,0,0]=4 570 B10R1.61 O=C(O)C1=C(S)C=CC=C1 MC40297 [0,1,0,0,1,0|1,0,0]=3 571 B10R1.61 O=C(O)C1=CC=CNC1=O CS19183 [0,1,0,0,1,0|2,0,0]=4 572 B10R1.61 O=C(O)C1=CN=CC=C1Br MC10387 [0,1,0,0,1,0|2,0,0]=4 573 B10R1.61 O=C(O)C1=CN=CC=C1Cl CS18850 [0,1,0,0,1,0|2,0,0]=4 574 B10R1.61 O=C(O)C1=CN=CC=C1I MC442349 [0,1,0,0,1,0|2,0,0]=4 575 B10R1.61 O=C(O)C1=CN=CC=C1O CS15271 [0,1,0,0,1,0|2,0,0]=4 576 B10R1.61 O=C(O)C1=NC=CC=C1Br CS22914 [0,1,0,0,1,0|2,0,0]=4 577 B10R1.61 O=C(O)C1=NC=CC=C1Cl CS15072 [0,1,0,0,1,0|2,0,0]=4 578 B10R1.61 O=C(O)C1=NC=CC=C1F CS18754 [0,1,0,0,1,0|2,0,0]=4 579 B10R1.61 O=C(O)C1=NC=CC=C1I CS12162 [0,1,0,0,1,0|2,0,0]=4 580 B10R1.61 O=C(O)C1=NC=CC=C1O CS22996 [0,1,0,0,1,0|2,0,0]=4 581 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 MC40335 [0,1,0,0,1,0|1,0,0]=3 582 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 MC40349 [0,1,0,0,1,0|1,0,0]=3 583 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 CS22913 [0,1,0,0,1,0|2,0,0]=4 584 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 CS21724 [0,1,0,0,1,0|2,0,0]=4 585 B10R1.61 O=[N+]([O-])c1ccccc1F MC41584 [0,1,0,0,1,0|2,0,0]=4 586 B10R1.61 O=[N+]([O-])c1ccccc1F MC433531 [0,1,0,0,1,0|2,0,0]=4 587 B10R1.61 O=[N+]([O-])c1ccccc1I MC41585 [0,1,0,0,1,0|2,0,0]=4 588 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 CS14839 [0,1,0,0,1,0|2,0,0]=4 589 B10R1.113 C=C(C)C1=CN=CC(Br)=C1 MC113271 [0,1,0,0,1,0|2,0,0]=4 590 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 CS18865 [0,1,0,0,1,0|0,0,0]=2 591 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 CS18282 [0,1,0,0,1,0|1,0,0]=3 592 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [0,1,0,0,1,0|1,0,0]=3 593 B10R1.113 CC(=O)C1=CC(C)=NC=C1 CS18206 [0,1,0,0,1,0|1,0,0]=3 594 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS19798 [0,1,0,0,1,0|0,0,0]=2 595 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 MC116273 [0,1,0,0,1,0|1,0,0]=3 596 B10R1.113 CC(=O)C1=CC(F)=CC=C1 CS19067 [0,1,0,0,1,0|0,0,0]=2 597 B10R1.113 CC(=O)C1=CC(F)=CN=C1 MC443199 [0,1,0,0,1,0|1,0,0]=3 598 B10R1.113 CC(=O)C1=CC(I)=CC=C1 MC33049 [0,1,0,0,1,0|0,0,0]=2 599 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS19441 [0,1,0,0,1,0|0,0,0]=2 600 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [0,1,0,0,1,0|0,0,0]=2 601 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [0,1,0,0,1,0|0,0,0]=2 602 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 CS17202 [0,1,0,0,1,0|1,0,0]=3 603 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [0,1,0,0,1,0|1,0,0]=3 604 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 MC441210 [0,1,0,0,1,0|1,0,0]=3 605 B10R1.113 CC(=O)C1=NC=CC(F)=C1 MC430529 [0,1,0,0,1,0|1,0,0]=3 606 B10R1.113 CC(=O)C1=NC=CC(O)=N1 MC430457 [0,1,0,0,1,0|2,0,0]=4 607 B10R1.113 CC(C)c1cccc(Br)c1 MC433484 [0,1,0,0,1,0|1,0,1]=4 608 B10R1.113 CC(N)C1=CC(F)=CC=C1 CS19312 [0,1,0,0,1,0|1,0,1]=4 609 B10R1.113 CC(N)C1=CC(F)=CC=C1 CS19671 [0,1,0,0,1,0|1,0,1]=4 610 B10R1.113 CC(N)C1=CC(F)=CC=C1 CS20262 [0,1,0,0,1,0|1,0,1]=4 611 B10R1.113 CC(N)C1=CC(F)=CC=C1 MC429421 [0,1,0,0,1,0|1,0,1]=4 612 B10R1.113 CC(N)C1=CC=CC(N)=C1 MC116025 [0,1,0,0,1,0|1,0,1]=4 613 B10R1.113 CC(N)C1=CC=CC(O)=C1 MC431437 [0,1,0,0,1,0|1,0,1]=4 614 B10R1.113 CC(O)C1=CC(Br)=CC=C1 MC40729 [0,1,0,0,1,0|0,0,2]=4 615 B10R1.113 CC(O)C1=CC(F)=CC=C1 MC433887 [0,1,0,0,1,0|0,0,2]=4 616 B10R1.113 CC(O)C1=CC(N)=CC=C1 CS21787 [0,1,0,0,1,0|0,0,2]=4 617 B10R1.113 CC1=CC(C(=O)O)=CN=C1 CS20319 [0,1,0,0,1,0|2,0,0]=4 618 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS22984 [0,1,0,0,1,0|2,0,0]=4 619 B10R1.113 CC1=CC(C(C)N)=CC=C1 CS17345 [0,1,0,0,1,0|1,0,1]=4 620 B10R1.113 CC1=CC(C(N)=O)=CN=C1 MC33520 [0,1,0,0,1,0|2,0,0]=4 621 B10R1.113 CC1=CC=CC(C(=N)N)=C1 CS20438 [0,1,0,0,1,0|2,0,0]=4 622 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 MC20748 [0,1,0,0,1,0|1,0,0]=3 623 B10R1.113 CC1=CC=CC(C(=O)O)=C1 CS19799 [0,1,0,0,1,0|1,0,0]=3 624 B10R1.113 CC1=CC=CC(C(=O)O)=N1 CS16317 [0,1,0,0,1,0|2,0,0]=4 625 B10R1.113 CC1=CC=CC(C(O)=S)=C1 MC433710 [0,1,0,0,1,0|1,0,1]=4 626 B10R1.113 CC1=NC=CC(C(=O)O)=C1 CS19546 [0,1,0,0,1,0|2,0,0]=4 627 B10R1.113 CN(C)C1=CC(Br)=CC=C1 MC40867 [0,1,0,0,1,0|2,0,0]=4 628 B10R1.113 CN(C)C1=CC(Cl)=CC=C1 MC40885 [0,1,0,0,1,0|2,0,0]=4 629 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 CS20273 [0,1,0,0,1,0|2,0,0]=4 630 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 CS22167 [0,1,0,0,1,0|1,0,0]=3 631 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 CS17785 [0,1,0,0,1,0|2,0,0]=4 632 B10R1.113 NC(=O)C1=CC(N)=CC=C1 MC433795 [0,1,0,0,1,0|1,0,0]=3 633 B10R1.113 NC(=O)C1=CC(N)=CN=C1 CS15231 [0,1,0,0,1,0|2,0,0]=4 634 B10R1.113 NC(=O)C1=CC(N)=NC=C1 MC425286 [0,1,0,0,1,0|2,0,0]=4 635 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 CS19001 [0,1,0,0,1,0|2,0,0]=4 636 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 MC427450 [0,1,0,0,1,0|2,0,0]=4 637 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 MC20489 [0,1,0,0,1,0|2,0,0]=4 638 B10R1.113 NC(=O)C1=NC=CC(N)=C1 MC116216 [0,1,0,0,1,0|2,0,0]=4 639 B10R1.113 NC1=CC(C(=O)O)=CN=C1 CS22022 [0,1,0,0,1,0|2,0,0]=4 640 B10R1.113 NC1=CC(C(=O)O)=NC=C1 CS15431 [0,1,0,0,1,0|2,0,0]=4 641 B10R1.113 NC1=CC([N+](=O)[O-])=CC=C1 CS22379 [0,1,0,0,1,0|2,0,0]=4 642 B10R1.113 NC1=CC=CC(C(=O)O)=C1 CS13396 [0,1,0,0,1,0|1,0,0]=3 643 B10R1.113 NC1=CC=CC(C(=O)O)=N1 CS19355 [0,1,0,0,1,0|2,0,0]=4 644 B10R1.113 NC1=NC=CC(C(=O)O)=C1 CS23021 [0,1,0,0,1,0|2,0,0]=4 645 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 MC40439 [0,1,0,0,1,0|1,0,0]=3 646 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 MC40449 [0,1,0,0,1,0|1,0,0]=3 647 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 MC40473 [0,1,0,0,1,0|1,0,0]=3 648 B10R1.113 O=C(Cl)C1=NC=CC(O)=C1 MC106015 [0,1,0,0,1,0|2,0,0]=4 649 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 CS15122 [0,1,0,0,1,0|1,0,0]=3 650 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 MC20488 [0,1,0,0,1,0|2,0,0]=4 651 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 CS14882 [0,1,0,0,1,0|1,0,0]=3 652 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 CS18845 [0,1,0,0,1,0|2,0,0]=4 653 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS10368 [0,1,0,0,1,0|1,0,0]=3 654 B10R1.113 O=C(O)C1=CC(F)=NC=C1 CS18886 [0,1,0,0,1,0|2,0,0]=4 655 B10R1.113 O=C(O)C1=CC(I)=CC=C1 CS10375 [0,1,0,0,1,0|1,0,0]=3 656 B10R1.113 O=C(O)C1=CC(O)=CC=C1 CS19800 [0,1,0,0,1,0|1,0,0]=3 657 B10R1.113 O=C(O)C1=CC(S)=CC=C1 MC20304 [0,1,0,0,1,0|1,0,0]=3 658 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 CS22040 [0,1,0,0,1,0|2,0,0]=4 659 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 CS18852 [0,1,0,0,1,0|2,0,0]=4 660 B10R1.113 O=C(O)C1=CN=CC(F)=C1 CS22934 [0,1,0,0,1,0|2,0,0]=4 661 B10R1.113 O=C(O)C1=CN=CC(O)=C1 CS22067 [0,1,0,0,1,0|2,0,0]=4 662 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 CS22087 [0,1,0,0,1,0|2,0,0]=4 663 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 CS21854 [0,1,0,0,1,0|2,0,0]=4 664 B10R1.113 O=C(O)C1=NC(F)=CC=C1 CS14295 [0,1,0,0,1,0|2,0,0]=4 665 B10R1.113 O=C(O)C1=NC(O)=CC=C1 CS22114 [0,1,0,0,1,0|2,0,0]=4 666 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 CS14122 [0,1,0,0,1,0|2,0,0]=4 667 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 CS14963 [0,1,0,0,1,0|2,0,0]=4 668 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CS17501 [0,1,0,0,1,0|2,0,0]=4 669 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CS17506 [0,1,0,0,1,0|2,0,0]=4 670 B10R1.113 O=C(O)C1=NC=CC(O)=C1 CS22894 [0,1,0,0,1,0|2,0,0]=4 671 B10R1.113 O=C([O-])C1=CC(Cl)=CC=C1 MC40336 [0,1,0,0,1,0|1,0,0]=3 672 B10R1.113 O=C([O-])C1=CC(F)=CC=C1 MC40350 [0,1,0,0,1,0|1,0,0]=3 673 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 MC430296 [0,1,0,0,1,0|2,0,0]=4 674 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 CS20650 [0,1,0,0,1,0|2,0,0]=4 675 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=C1 CS20664 [0,1,0,0,1,0|2,0,0]=4 676 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 CS20684 [0,1,0,0,1,0|2,0,0]=4 677 B10R1.113 O=[N+]([O-])C1=CC=CC(I)=C1 CS19240 [0,1,0,0,1,0|2,0,0]=4 678 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 CS22383 [0,1,0,0,1,0|2,0,0]=4 679 B10R1.54 CC(=O)NC1=CC=C(Br)S1 CS11706 [0,1,0,0,1,0|2,0,0]=4 680 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [0,1,0,0,0,1|1,0,0]=3 681 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 MC431712 [0,1,0,0,0,1|1,0,0]=3 682 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 MC41308 [0,1,0,0,0,1|1,0,0]=3 683 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 MC40217 [0,1,0,0,0,1|2,0,0]=4 684 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 CS21832 [0,1,0,0,0,1|2,0,0]=4 685 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS21674 [0,1,0,0,0,1|2,0,0]=4 686 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 CS19854 [0,1,0,0,0,1|2,0,0]=4 687 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS21107 [0,1,0,0,0,1|2,0,0]=4 688 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 MC41825 [0,1,0,0,0,1|1,1,0]=4 689 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 CS21504 [0,1,0,0,0,1|2,0,0]=4 690 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 MC429571 [0,1,0,0,0,1|2,0,0]=4 691 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS15820 [0,1,0,0,0,1|2,0,0]=4 692 B12R1.27 CC(CO)OCC1=CC=CC=C1 MC106974 [0,1,0,0,0,1|0,0,2]=4 693 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [0,1,0,0,0,1|1,0,0]=3 694 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [0,1,0,0,0,1|0,0,0]=2 695 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [0,1,0,0,0,1|0,0,0]=2 696 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [0,1,0,0,0,1|0,0,0]=2 697 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS20449 [0,1,0,0,0,1|1,0,0]=3 698 B12R1.27 NNC(=O)OCc1ccccc1 MC438484 [0,1,0,0,0,1|1,0,0]=3 699 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [0,1,0,0,0,1|0,0,0]=2 700 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MC445160 [0,1,0,0,0,1|2,0,0]=4 701 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O MC20809 [0,1,0,0,0,1|2,0,0]=4 702 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438079 [0,1,0,0,0,1|2,0,0]=4 703 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438080 [0,1,0,0,0,1|2,0,0]=4 704 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438081 [0,1,0,0,0,1|2,0,0]=4 705 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438082 [0,1,0,0,0,1|2,0,0]=4 706 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS15443 [0,1,0,0,0,1|2,0,0]=4 707 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS18748 [0,1,0,0,0,1|2,0,0]=4 708 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS21178 [0,1,0,0,0,1|2,0,0]=4 709 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [0,1,0,0,0,1|2,0,0]=4 710 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [0,1,0,0,0,1|2,0,0]=4 711 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [0,1,0,0,0,1|2,0,0]=4 712 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [0,1,0,0,0,1|1,0,0]=3 713 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [0,1,0,0,0,1|2,0,0]=4 714 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [0,1,0,0,0,1|2,0,0]=4 715 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [0,1,0,0,0,1|2,0,0]=4 716 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 CS17400 [0,1,0,0,0,1|2,0,0]=4 717 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 CS21656 [0,1,0,0,0,1|2,0,0]=4 718 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 MC106617 [0,1,0,0,0,1|2,0,0]=4 719 B12R1.125 O=C(O)CNc1ccccc1Cl MC439220 [0,1,0,0,0,1|2,0,0]=4 720 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 CS10967 [0,1,0,0,0,1|2,0,0]=4 721 B12R1.226 CC(C)COC1=CC=CC(O)=C1 MC112276 [0,1,0,0,0,1|1,0,1]=4 722 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 CS21658 [0,1,0,0,0,1|2,0,0]=4 723 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS13948 [0,1,0,0,0,1|2,0,0]=4 724 B12R1.226 O=C(O)CCc1cccc(F)c1 MC40203 [0,1,0,0,0,1|2,0,0]=4 725 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 CS21499 [0,1,0,0,0,1|2,0,0]=4 726 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 CS21503 [0,1,0,0,0,1|2,0,0]=4 727 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 MC40208 [0,1,0,0,0,1|2,0,0]=4 728 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 CS10976 [0,1,0,0,0,1|2,0,0]=4 729 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 MC40216 [0,1,0,0,0,1|2,0,0]=4 730 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 CS22530 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 MC40005 [0,2,0,0,0,0|0,0,0]=2 732 B12R1.4 CC(=S)NC1=CC=C(C#N)C=C1 MC427302 [0,2,0,0,0,0|1,1,0]=4 733 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 MC20892 [0,2,0,0,0,0|1,0,0]=3 734 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 CS13446 [0,2,0,0,0,0|2,0,0]=4 735 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 CS11110 [0,2,0,0,0,0|1,0,0]=3 736 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 MC427407 [0,2,0,0,0,0|1,0,0]=3 737 B12R1.4 COC1=CC=C(NC(C)=S)C=C1 MC427413 [0,2,0,0,0,0|1,1,0]=4 738 B12R1.4 COC1=CC=C(OC(=O)Cl)C=C1 MC40014 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 CS18357 [0,2,0,0,0,0|2,0,0]=4 740 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 CS16100 [0,2,0,0,0,0|2,0,0]=4 741 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 MC40138 [0,2,0,0,0,0|2,0,0]=4 742 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 MC40152 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 MC431953 [0,2,0,0,0,0|2,0,0]=4 744 B12R1.19 CC(=O)NC1=NC(C)=C(F)C=C1 CS17562 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.19 CC(=O)NC1=NC(F)=C(I)C=C1 MC33468 [0,2,0,0,0,0|2,0,0]=4 746 B12R1.19 CC(=O)Nc1ccc(C)c(C)c1 MC40962 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.19 CC(=O)Nc1ccc(F)c(F)c1 MC40961 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.19 CC(=O)OC1=CC(C)=C(Cl)C=C1 MC40003 [0,2,0,0,0,0|0,0,0]=2 749 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 MC40151 [0,2,0,0,0,0|2,0,0]=4 750 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 MC21107 [0,2,0,0,0,0|2,0,0]=4 751 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 MC433950 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.19 CC1=C(F)C=CC([ClH]C(=O)[O-])=C1 MC30266 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.19 NC(=O)NC1=CC(Cl)=C(Cl)C=C1 CS20402 [0,2,0,0,0,0|2,0,0]=4 754 B12R1.19 O=C(O)CC1=CC(Br)=C(F)C=C1 CS18834 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 MC40146 [0,2,0,0,0,0|2,0,0]=4 756 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 CS20693 [0,2,0,0,0,0|2,0,0]=4 757 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 CS10724 [0,2,0,0,0,0|2,0,0]=4 758 B12R1.19 O=C(O)CC1=CC(F)=C(Br)C=C1 CS12651 [0,2,0,0,0,0|2,0,0]=4 759 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 CS22756 [0,2,0,0,0,0|2,0,0]=4 760 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 MC40163 [0,2,0,0,0,0|2,0,0]=4 761 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 MC40167 [0,2,0,0,0,0|2,0,0]=4 762 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 CS20953 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 CS12331 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 CS20887 [0,2,0,0,0,0|2,0,0]=4 765 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS10846 [0,2,0,0,0,0|2,0,0]=4 766 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS15576 [0,2,0,0,0,0|2,0,0]=4 767 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS19207 [0,2,0,0,0,0|2,0,0]=4 768 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC20331 [0,2,0,0,0,0|2,0,0]=4 769 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC429561 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC429563 [0,2,0,0,0,0|2,0,0]=4 771 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 CS21023 [0,2,0,0,0,0|2,0,0]=4 772 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 CS15974 [0,2,0,0,0,0|2,0,0]=4 773 B12R1.20 O=C(O)C(Br)C1=CC=C(Cl)C=C1 MC40142 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 MC115598 [0,2,0,0,0,0|2,0,0]=4 775 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 CS20354 [0,2,0,0,0,0|2,0,0]=4 776 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 MC40159 [0,2,0,0,0,0|2,0,0]=4 777 B12R1.20 O=C(O)C(O)c1ccc(Br)cc1 MC115599 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 MC33263 [0,2,0,0,0,0|1,0,0]=3 779 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 MC40116 [0,2,0,0,0,0|1,0,0]=3 780 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 MC40088 [0,2,0,0,0,0|1,0,0]=3 781 B12R1.49 COC(=O)CC1=CC=C(F)N=C1 MC429489 [0,2,0,0,0,0|2,0,0]=4 782 B12R1.49 COC(=O)CC1=CC=C(N)N=C1 MC431366 [0,2,0,0,0,0|2,0,0]=4 783 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 CS21113 [0,2,0,0,0,0|1,0,0]=3 784 B12R1.106 CC(C)(C)OC1=CC=C(Br)C=C1 MC425493 [0,2,0,0,0,0|1,0,1]=4 785 B12R1.106 CC(C)(C)OC1=CC=C(Cl)C=C1 MC33068 [0,2,0,0,0,0|1,0,1]=4 786 B12R1.106 CS(=O)(=O)OC1=CC=C(F)C=C1 MC40421 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.233 CC(=O)NC1=C(Cl)C=C(F)C=C1 MC33128 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.233 CC(=O)NC1=C(O)C=C(F)C=C1 MC427191 [0,2,0,0,0,0|1,0,0]=3 789 B12R1.233 CC(=O)NC1=NC=C(Br)C=C1C MC33486 [0,2,0,0,0,0|2,0,0]=4 790 B12R1.233 CC(=O)Nc1ccc(Cl)cc1F MC40956 [0,2,0,0,0,0|1,0,0]=3 791 B12R1.233 CC(C)OC1=C(Cl)C=C(Br)C=C1 MC443492 [0,2,0,0,0,0|1,0,1]=4 792 B12R1.233 CC(C)OC1=C(F)C=C(N)C=C1 MC112377 [0,2,0,0,0,0|1,0,1]=4 793 B12R1.233 CC1=C(CC(=O)O)C=CC(Br)=C1 MC107511 [0,2,0,0,0,0|2,0,0]=4 794 B12R1.233 CC1=CC(Br)=C(CC(=O)O)C=C1 MC106320 [0,2,0,0,0,0|2,0,0]=4 795 B12R1.233 CC1=CC(F)=C(CC(=O)O)C=C1 CS12730 [0,2,0,0,0,0|2,0,0]=4 796 B12R1.233 NC1=C(CC(=O)O)C=CC(F)=C1 MC429495 [0,2,0,0,0,0|2,0,0]=4 797 B12R1.233 NC1=CC(F)=C(CC(=O)O)C=C1 MC433931 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 CS19112 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 CS15278 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 CS16319 [0,2,0,0,0,0|2,0,0]=4 801 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 CS10717 [0,2,0,0,0,0|2,0,0]=4 802 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 CS20709 [0,2,0,0,0,0|2,0,0]=4 803 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 CS19772 [0,2,0,0,0,0|2,0,0]=4 804 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 MC40156 [0,2,0,0,0,0|2,0,0]=4 805 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 MC10349 [0,2,0,0,0,0|2,0,0]=4 806 B12R1.233 O=C(O)CC1=C(I)C=C(F)C=C1 MC432599 [0,2,0,0,0,0|2,0,0]=4 807 B12R1.233 O=C(O)CC1=C(O)C=C(F)C=C1 MC429494 [0,2,0,0,0,0|2,0,0]=4 808 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 MC111794 [0,2,0,0,0,0|1,0,0]=3 809 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 MC20896 [0,2,0,0,0,0|1,0,0]=3 810 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS13901 [0,2,0,0,0,0|1,0,0]=3 811 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS21181 [0,2,0,0,0,0|1,0,0]=3 812 B12R1.34 COC(=O)C(N)C1=NC=CC=C1 CS17643 [0,2,0,0,0,0|2,0,0]=4 813 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS18861 [0,2,0,0,0,0|1,0,0]=3 814 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS21098 [0,2,0,0,0,0|1,0,0]=3 815 B12R1.124 CC(=O)C(Br)C1=C(F)C=CC=C1 MC432040 [0,2,0,0,0,0|1,0,0]=3 816 B12R1.124 CC(C(=O)O)C1=C(Cl)C=CC=C1 CS21673 [0,2,0,0,0,0|2,0,0]=4 817 B12R1.124 NC(=O)C(N)C1=C(Cl)C=CC=C1 MC102535 [0,2,0,0,0,0|2,0,0]=4 818 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 CS10848 [0,2,0,0,0,0|2,0,0]=4 819 B12R1.124 NC1=C(C(=O)C(=O)[O-])C=CC=C1 MC427207 [0,2,0,0,0,0|2,0,0]=4 820 B12R1.124 NC1=C(C(O)C(=O)[O-])C=CC=C1 MC427355 [0,2,0,0,0,0|2,0,0]=4 821 B12R1.124 O=C(Cl)C(=O)C1=C(Cl)C=CC=C1 MC105996 [0,2,0,0,0,0|2,0,0]=4 822 B12R1.124 O=C(O)C(=O)C1=C(Br)C=CC=C1 CS16464 [0,2,0,0,0,0|2,0,0]=4 823 B12R1.124 O=C(O)C(Br)C1=C(Cl)C=CC=C1 MC20972 [0,2,0,0,0,0|2,0,0]=4 824 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 CS10783 [0,2,0,0,0,0|2,0,0]=4 825 B12R1.225 CC(C(=O)O)C1=CC(Br)=CC=C1 CS14817 [0,2,0,0,0,0|2,0,0]=4 826 B12R1.225 CC(C(=O)O)C1=CC(N)=CC=C1 MC102234 [0,2,0,0,0,0|2,0,0]=4 827 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 MC442791 [0,2,0,0,0,0|2,0,0]=4 828 B12R1.225 NC(C(=O)O)C1=CC(Cl)=CC=C1 MC40137 [0,2,0,0,0,0|2,0,0]=4 829 B12R1.225 O=C(O)C(O)C1=CC(F)=CC=C1 CS13705 [0,2,0,0,0,0|2,0,0]=4 830 B12R1.253 CC(=O)C(F)(F)C1=CC=CC=C1 MC430930 [0,2,0,0,0,0|1,0,0]=3 831 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CS10020 [0,2,0,0,0,0|2,0,0]=4 832 B12R1.478 CC(=O)\C(=N\O)C1=NC=CC=C1 MC102713 [0,2,0,0,0,0|2,0,0]=4 833 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 CS20312 [0,2,0,0,0,0|2,0,0]=4 834 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437936 [0,2,0,0,0,0|2,0,0]=4 835 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437937 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.478 CNC(C(=O)O)c1ccccc1 MC437938 [0,2,0,0,0,0|2,0,0]=4 837 B12R1.478 COC(C(=O)O)c1ccccc1 MC428059 [0,2,0,0,0,0|2,0,0]=4 838 B12R1.478 N#CC(C(N)=O)C1=CC=CC=C1 MC33238 [0,2,0,0,0,0|2,0,0]=4 839 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 MC105852 [0,2,0,0,0,0|2,0,0]=4 840 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 MC105853 [0,2,0,0,0,0|2,0,0]=4 841 B12R1.32 CCNC(=S)NC1=CC=CC=C1 MC427354 [0,2,0,0,0,0|1,1,0]=4 842 B12R1.32 CCOC(=O)CC1=NC=CC=C1 MC41619 [0,2,0,0,0,0|2,0,0]=4 843 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 MC40795 [0,2,0,0,0,0|1,0,0]=3 844 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 MC107629 [0,2,0,0,0,0|1,0,1]=4 845 B12R1.50 CCC(=O)NC1=CC(Br)=CN=C1 MC103001 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 CS21194 [0,2,0,0,0,0|1,0,0]=3 847 B12R1.50 CCC(C)OC1=CC=CC(O)=C1 MC112599 [0,2,0,0,0,0|1,0,1]=4 848 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 CS20169 [0,2,0,0,0,0|1,0,0]=3 849 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 MC433952 [0,2,0,0,0,0|1,0,0]=3 850 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CS15979 [0,2,0,0,0,0|1,0,0]=3 851 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 MC40063 [0,2,0,0,0,0|1,0,0]=3 852 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 CS22324 [0,2,0,0,0,0|1,0,0]=3 853 B12R1.50 NNC(=O)CC1=CC(Br)=CC=C1 MC111969 [0,2,0,0,0,0|2,0,0]=4 854 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 CS11591 [0,2,0,0,0,0|1,0,0]=3 855 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 CS21677 [0,2,0,0,0,0|1,0,0]=3 856 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 CS11582 [0,2,0,0,0,0|1,0,0]=3 857 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS20138 [0,2,0,0,0,0|1,0,0]=3 858 B12R1.75 C#CC1=C(CC(N)=O)C=CC=C1 MC112241 [0,2,0,0,0,0|2,0,0]=4 859 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 CS16300 [0,2,0,0,0,0|2,0,0]=4 860 B12R1.75 COC1=C(OC(C)=O)C=CC=C1 MC40006 [0,2,0,0,0,0|0,0,0]=2 861 B12R1.75 N#CC1=C(CC(=O)O)C=CC=C1 CS20129 [0,2,0,0,0,0|2,0,0]=4 862 B12R1.75 O=C(O)CC1=C(CCl)C=CC=C1 MC40157 [0,2,0,0,0,0|2,0,0]=4 863 B12R1.127 CC(=O)NC1=C(Br)C=CC(Br)=C1 MC106796 [0,2,0,0,0,0|1,0,0]=3 864 B12R1.127 CC(=O)NC1=C(Br)C=CC(C)=C1 MC40955 [0,2,0,0,0,0|1,0,0]=3 865 B12R1.127 CC(=O)NC1=C(O)C=CC(Br)=C1 MC427097 [0,2,0,0,0,0|1,0,0]=3 866 B12R1.127 CC(=O)Nc1cc(F)ccc1F MC40960 [0,2,0,0,0,0|1,0,0]=3 867 B12R1.127 CC(=O)Nc1cc(N)ccc1F MC40954 [0,2,0,0,0,0|1,0,0]=3 868 B12R1.127 CC1=C(CC(=O)O)C=C(F)C=C1 MC40172 [0,2,0,0,0,0|2,0,0]=4 869 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 CS11111 [0,2,0,0,0,0|2,0,0]=4 870 B12R1.127 CC1=CC(CC(=O)O)=C(F)C=C1 MC40171 [0,2,0,0,0,0|2,0,0]=4 871 B12R1.127 O=C(O)CC1=C(Br)C=CC(Br)=C1 MC20981 [0,2,0,0,0,0|2,0,0]=4 872 B12R1.127 O=C(O)CC1=C(Br)C=CC(Cl)=C1 MC40143 [0,2,0,0,0,0|2,0,0]=4 873 B12R1.127 O=C(O)CC1=C(Br)C=CC(F)=C1 MC40144 [0,2,0,0,0,0|2,0,0]=4 874 B12R1.127 O=C(O)CC1=C(Cl)C=CC(Br)=C1 CS16490 [0,2,0,0,0,0|2,0,0]=4 875 B12R1.127 O=C(O)CC1=C(Cl)C=CC(Cl)=C1 MC33155 [0,2,0,0,0,0|2,0,0]=4 876 B12R1.127 O=C(O)CC1=C(Cl)C=CC(F)=C1 CS21465 [0,2,0,0,0,0|2,0,0]=4 877 B12R1.127 O=C(O)CC1=C(F)C=CC(Br)=C1 MC40145 [0,2,0,0,0,0|2,0,0]=4 878 B12R1.127 O=C(O)CC1=C(F)C=CC(Cl)=C1 MC33095 [0,2,0,0,0,0|2,0,0]=4 879 B12R1.127 O=C(O)CC1=C(F)C=CC(F)=C1 CS20739 [0,2,0,0,0,0|2,0,0]=4 880 B12R1.127 O=C(O)CC1=C(O)C=CC(Br)=C1 MC40147 [0,2,0,0,0,0|2,0,0]=4 881 B12R1.224 CC(=O)NC1=C(Cl)C(C)=CC=C1 MC40957 [0,2,0,0,0,0|1,0,0]=3 882 B12R1.224 CC(C)OC1=CC=CC(Br)=C1O MC442835 [0,2,0,0,0,0|1,0,1]=4 883 B12R1.224 CC1=C(CC(=O)O)C=CC=C1F CS12682 [0,2,0,0,0,0|2,0,0]=4 884 B12R1.224 CC1=CC=CC(CC(=O)O)=C1C MC20108 [0,2,0,0,0,0|2,0,0]=4 885 B12R1.224 O=C(O)CC1=C(Cl)C(F)=CC=C1 CS13305 [0,2,0,0,0,0|2,0,0]=4 886 B12R1.224 O=C(O)CC1=C(F)C(F)=CC=C1 CS10729 [0,2,0,0,0,0|2,0,0]=4 887 B12R1.1009 CC1=CC=CC(C)=C1CC(=O)O MC431246 [0,2,0,0,0,0|2,0,0]=4 888 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1Cl MC20219 [0,2,0,0,0,0|2,0,0]=4 889 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1F MC40154 [0,2,0,0,0,0|2,0,0]=4 890 B12R1.1009 O=C(O)CC1=C(F)C=CC=C1F MC40162 [0,2,0,0,0,0|2,0,0]=4 891 B12R1.101 O=C(O)CC1=CC(Br)=CC(Br)=C1 CS21970 [0,2,0,0,0,0|2,0,0]=4 892 B12R1.101 O=C(O)CC1=CC(Br)=CC(F)=C1 CS15078 [0,2,0,0,0,0|2,0,0]=4 893 B12R1.101 O=C(O)CC1=CC(Cl)=CC(Cl)=C1 CS20844 [0,2,0,0,0,0|2,0,0]=4 894 B12R1.101 O=C(O)CC1=CC(Cl)=CC(F)=C1 MC40155 [0,2,0,0,0,0|2,0,0]=4 895 B12R1.101 O=C(O)CC1=CC(F)=CC(F)=C1 MC40164 [0,2,0,0,0,0|2,0,0]=4 896 B12R1.438 CC(C)OC1=CC=CC(C=O)=C1 MC41125 [0,2,0,0,0,0|1,0,1]=4 897 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 MC40182 [0,2,0,0,0,0|2,0,0]=4 898 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 CS22343 [0,2,0,0,0,0|1,0,0]=3 899 B12R1.438 N#CC1=CC=CC(CC(=O)O)=C1 CS22261 [0,2,0,0,0,0|2,0,0]=4 900 B12R1.438 O=C(O)CC1=CC(CBr)=CC=C1 CS15773 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.438 O=CC1=CC=CC(CC(=O)O)=C1 MC442713 [0,2,0,0,0,0|2,0,0]=4 902 B10R2.6 C1=CC=C(C2CO2)C=C1 MC20326 [1,0,0,1,0,0|2,0,0]=4 903 B10R2.6 C1=CC=C(C2CO2)C=C1 MC445226 [1,0,0,1,0,0|2,0,0]=4 904 B10R2.7 C1=CC2=C(C=C1)CSC2 MC114506 [1,0,0,1,0,0|2,0,0]=4 905 B10R2.7 C1=CC2=C(C=C1)NC=N2 MC41756 [1,0,0,1,0,0|2,0,0]=4 906 B10R2.7 C1=CC2=C(C=C1)OC=N2 CS10994 [1,0,0,1,0,0|1,0,0]=3 907 B10R2.7 C1=CC2=C(C=C1)OCC2 CS20929 [1,0,0,1,0,0|0,0,1]=3 908 B10R2.7 C1=CC2=C(C=C1)OCO2 CS20505 [1,0,0,1,0,0|0,0,2]=4 909 B10R2.7 C1=CC2=C(C=C1)SC=C2 CS16362 [1,0,0,1,0,0|0,1,1]=4 910 B10R2.7 C1=CC2=C(C=C1)SC=N2 CS10992 [1,0,0,1,0,0|1,1,0]=4 911 B10R2.7 C1=CC2=CC=NC=C2O1 MC100123 [1,0,0,1,0,0|1,0,1]=4 912 B10R2.7 C1=CC=C2CC=CC2=C1 MC20914 [1,0,0,1,0,0|1,0,0]=3 913 B10R2.7 C1=CC=C2CNCC2=C1 CS11516 [1,0,0,1,0,0|2,0,0]=4 914 B10R2.7 C1=CC=C2CNCC2=C1 MC442466 [1,0,0,1,0,0|2,0,0]=4 915 B10R2.7 C1=CC=C2NC=CC2=C1 CS11496 [1,0,0,1,0,0|1,0,1]=4 916 B10R2.7 C1=CC=C2NCCC2=C1 CS19084 [1,0,0,1,0,0|1,0,1]=4 917 B10R2.7 C1=CC=C2OC=CC2=C1 CS11169 [1,0,0,1,0,0|0,0,1]=3 918 B10R2.7 C1=CN=C2OC=CC2=C1 MC107657 [1,0,0,1,0,0|1,0,1]=4 919 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [0,0,0,1,0,1|1,0,0]=3 920 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CS19703 [0,0,0,1,0,1|2,0,0]=4 921 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS11336 [0,0,0,1,0,1|2,0,0]=4 922 B12R2.24 CC1=NC2=C(C=CC=C2)N=N1 MC106658 [0,0,0,1,0,1|2,0,0]=4 923 B12R2.24 CC1=NC2=CC=CC=C2C=C1 CS11335 [0,0,0,1,0,1|2,0,0]=4 924 B12R2.24 O=C1C=C2C=CC=CC2=NN1 CS16596 [0,0,0,1,0,1|1,0,1]=4 925 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [0,0,0,1,0,1|1,0,0]=3 926 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [0,0,0,1,0,1|2,0,0]=4 927 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [0,0,0,1,0,1|2,0,0]=4 928 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [0,0,0,1,0,1|1,0,0]=3 929 B12R2.24 O=C1COC2=C(C=CN=C2)N1 MC425525 [0,0,0,1,0,1|2,0,0]=4 930 B12R2.24 O=C1COC2=C(C=NC=C2)N1 MC425642 [0,0,0,1,0,1|2,0,0]=4 931 B12R2.24 O=C1CSC2=CC=CC=C2C1 MC107174 [0,0,0,1,0,1|0,1,0]=3 932 B12R2.294 BrC1=CC=C(OC2CC2)C=C1 MC430493 [0,1,0,1,0,0|1,0,1]=4 933 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 MC111383 [0,1,0,1,0,0|1,0,0]=3 934 B12R2.606 CC1=CC2=C(C=C1)N=C(C)N2 MC425571 [0,1,0,1,0,0|2,0,0]=4 935 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 CS11036 [0,1,0,1,0,0|1,0,0]=3 936 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)O1 MC441288 [0,1,0,1,0,0|1,0,0]=3 937 B12R2.606 CC1=CC2=CC(Br)=CC=C2N1 MC433913 [0,1,0,1,0,0|2,0,0]=4 938 B12R2.606 CC1=CC2=CC(F)=CC=C2N1 CS11005 [0,1,0,1,0,0|2,0,0]=4 939 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 CS21722 [0,1,0,1,0,0|2,0,0]=4 940 B12R2.606 CC1=CC2=CC=C(Cl)C=C2N1 CS12813 [0,1,0,1,0,0|2,0,0]=4 941 B12R2.606 CC1=CC2=CC=C(F)C=C2N1 MC103158 [0,1,0,1,0,0|2,0,0]=4 942 B12R2.606 CC1=CC=C2C=C(C)NC2=C1 CS15359 [0,1,0,1,0,0|2,0,0]=4 943 B12R2.606 CC1=CC=C2CC(=O)NC2=C1 CS10744 [0,1,0,1,0,0|1,0,0]=3 944 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 CS15472 [0,1,0,1,0,0|1,0,0]=3 945 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 CS10011 [0,1,0,1,0,0|2,0,0]=4 946 B12R2.606 CC1=NC2=C(C=C(Br)C=C2)O1 CS10632 [0,1,0,1,0,0|1,0,0]=3 947 B12R2.606 CC1=NC2=C(C=C(Br)C=C2)S1 CS10630 [0,1,0,1,0,0|1,1,0]=4 948 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 MC442522 [0,1,0,1,0,0|1,0,0]=3 949 B12R2.606 CC1=NC2=C(C=C(N)C=C2)N1 MC442521 [0,1,0,1,0,0|2,0,0]=4 950 B12R2.606 CC1=NC2=C(C=C(O)C=C2)N1 MC425565 [0,1,0,1,0,0|2,0,0]=4 951 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 MC427398 [0,1,0,1,0,0|1,0,0]=3 952 B12R2.606 CC1=NC2=C(C=C(O)C=C2)S1 MC427474 [0,1,0,1,0,0|1,1,0]=4 953 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)N1 CS10270 [0,1,0,1,0,0|2,0,0]=4 954 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 MC442516 [0,1,0,1,0,0|1,0,0]=3 955 B12R2.606 CC1=NC2=C(C=CC(Cl)=C2)O1 MC20465 [0,1,0,1,0,0|1,0,0]=3 956 B12R2.606 CC1=NC2=C(C=CC(Cl)=C2)S1 MC31005 [0,1,0,1,0,0|1,1,0]=4 957 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 CS12509 [0,1,0,1,0,0|2,0,0]=4 958 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 CS21670 [0,1,0,1,0,0|2,0,0]=4 959 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 CS16740 [0,1,0,1,0,0|1,0,0]=3 960 B12R2.606 CC1=NC2=CC(Br)=CN=C2O1 MC442527 [0,1,0,1,0,0|2,0,0]=4 961 B12R2.606 CC1=NC2=NC=C(Br)C=C2O1 CS13431 [0,1,0,1,0,0|2,0,0]=4 962 B12R2.606 Cc1nc2cc(Br)ccc2s1 CS10712 [0,1,0,1,0,0|1,1,0]=4 963 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)O2 MC31129 [0,1,0,1,0,0|2,0,0]=4 964 B12R2.606 ClC1=CC2=C(C=C1)OC(Cl)=N2 MC31128 [0,1,0,1,0,0|2,0,0]=4 965 B12R2.606 ClC1=NC2=C(C=CC(Br)=C2)O1 CS13138 [0,1,0,1,0,0|2,0,0]=4 966 B12R2.606 FC1=CC2=C(C=C1)N=C(Cl)O2 CS15195 [0,1,0,1,0,0|2,0,0]=4 967 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CS10376 [0,1,0,1,0,0|2,0,0]=4 968 B12R2.606 NC1=CC2=C(C=C1)OC(=O)N2 MC111395 [0,1,0,1,0,0|1,0,0]=3 969 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 CS21571 [0,1,0,1,0,0|1,0,0]=3 970 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 MC427120 [0,1,0,1,0,0|1,0,0]=3 971 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 MC446685 [0,1,0,1,0,0|1,0,0]=3 972 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)O1 MC443172 [0,1,0,1,0,0|2,0,0]=4 973 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)O1 MC106736 [0,1,0,1,0,0|2,0,0]=4 974 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 CS22042 [0,1,0,1,0,0|1,0,0]=3 975 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 CS10243 [0,1,0,1,0,0|2,0,0]=4 976 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 CS22052 [0,1,0,1,0,0|1,0,0]=3 977 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 MC113004 [0,1,0,1,0,0|2,0,0]=4 978 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 MC100081 [0,1,0,1,0,0|2,0,0]=4 979 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 CS22061 [0,1,0,1,0,0|1,0,0]=3 980 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 CS20688 [0,1,0,1,0,0|1,0,0]=3 981 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 CS22102 [0,1,0,1,0,0|1,0,0]=3 982 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 CS22112 [0,1,0,1,0,0|1,0,0]=3 983 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 MC113015 [0,1,0,1,0,0|2,0,0]=4 984 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 MC113035 [0,1,0,1,0,0|2,0,0]=4 985 B12R2.606 O=C1CC2=NC=C(F)C=C2N1 MC111563 [0,1,0,1,0,0|2,0,0]=4 986 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 CS18286 [0,1,0,1,0,0|2,0,0]=4 987 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 CS13902 [0,1,0,1,0,0|1,0,0]=3 988 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)S1 CS15336 [0,1,0,1,0,0|1,1,0]=4 989 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)N1 CS10315 [0,1,0,1,0,0|2,0,0]=4 990 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)S1 MC31174 [0,1,0,1,0,0|1,1,0]=4 991 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 MC425675 [0,1,0,1,0,0|2,0,0]=4 992 B12R2.606 O=C1NC2=C(C=C(F)C=C2)S1 MC31175 [0,1,0,1,0,0|1,1,0]=4 993 B12R2.606 O=C1NC2=C(C=C(I)C=C2)N1 MC101888 [0,1,0,1,0,0|2,0,0]=4 994 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 MC443377 [0,1,0,1,0,0|1,0,0]=3 995 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 MC445105 [0,1,0,1,0,0|2,0,0]=4 996 B12R2.606 S=C1NC2=C(C=CC(Cl)=C2)O1 CS10329 [0,1,0,1,0,0|1,1,0]=4 997 B12R2.606 SC1=NC2=C(C=CC(Br)=C2)O1 CS10298 [0,1,0,1,0,0|1,1,0]=4 998 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 CS22136 [0,1,0,1,0,0|1,1,0]=4 999 B12R2.18 CC1=C(O)C2=NC=CC=C2O1 MC427139 [0,1,0,1,0,0|1,0,1]=4 1000 B12R2.18 CC1=CC2=CC=CC=C2N1C CS10010 [0,1,0,1,0,0|2,0,0]=4 1001 B12R2.18 CC1CC2=CC=CC=C2C1=O MC446688 [0,1,0,1,0,0|1,0,1]=4 1002 B12R2.18 CN1C(=O)NC2=CC=CN=C21 MC427257 [0,1,0,1,0,0|2,0,0]=4 1003 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 MC10211 [0,1,0,1,0,0|0,0,0]=2 1004 B12R2.18 CN1C(N)=CC2=CC=CC=C21 MC106654 [0,1,0,1,0,0|2,0,0]=4 1005 B12R2.18 CN1NC2=CC=CC=C2C1=O MC442274 [0,1,0,1,0,0|2,0,0]=4 1006 B12R2.18 O=C1NC2=CC=CC=C2C1=O CS11506 [0,1,0,1,0,0|1,0,1]=4 1007 B12R2.23 O=C1CCC1C2=CC=CC=C2 MC104226 [0,1,0,1,0,0|1,0,0]=3 1008 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 CS12836 [0,1,0,1,0,0|1,0,0]=3 1009 B12R2.32 BrCC1=NC2=C(C=CC=C2)S1 CS20692 [0,1,0,1,0,0|1,1,0]=4 1010 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 CS18815 [0,1,0,1,0,0|2,0,0]=4 1011 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 MC31049 [0,1,0,1,0,0|1,0,0]=3 1012 B12R2.32 CSC1=NC2=C(C=CC=C2)S1 MC31173 [0,1,0,1,0,0|1,1,0]=4 1013 B12R2.32 CSC1=NC2=NC=CC=C2O1 CS17165 [0,1,0,1,0,0|2,0,0]=4 1014 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 CS20901 [0,1,0,1,0,0|2,0,0]=4 1015 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 MC442523 [0,1,0,1,0,0|1,0,0]=3 1016 B12R2.32 ClCC1=NC2=C(C=CC=C2)S1 CS20895 [0,1,0,1,0,0|1,1,0]=4 1017 B12R2.32 ClCC1=NC2=CC=CN=C2O1 MC443743 [0,1,0,1,0,0|2,0,0]=4 1018 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 CS21513 [0,1,0,1,0,0|1,0,1]=4 1019 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 MC111185 [0,1,0,1,0,0|1,0,0]=3 1020 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 CS14446 [0,1,0,1,0,0|2,0,0]=4 1021 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 CS20888 [0,1,0,1,0,0|2,0,0]=4 1022 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 MC425570 [0,1,0,1,0,0|2,0,0]=4 1023 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 CS10964 [0,1,0,1,0,0|0,1,1]=4 1024 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS18099 [0,1,0,1,0,0|1,0,1]=4 1025 B12R2.32 O=CC1=CC2=NC=CC=C2O1 MC103691 [0,1,0,1,0,0|1,0,1]=4 1026 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 MC33243 [0,1,0,1,0,0|2,0,0]=4 1027 B12R2.32 OCC1=CC2=CC=CC=C2N1 CS20715 [0,1,0,1,0,0|2,0,0]=4 1028 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 MC10493 [0,1,0,1,0,0|2,0,0]=4 1029 B12R2.32 OCC1CC2=C(C=CC=C2)O1 CS21037 [0,1,0,1,0,0|0,0,2]=4 1030 B12R2.95 CC1(C)OC2=C(C=CC=C2)O1 CS17049 [0,1,0,1,0,0|0,0,2]=4 1031 B12R2.202 CC1=C2CC(=O)NC2=CC=C1 CS22978 [0,1,0,1,0,0|1,0,0]=3 1032 B12R2.202 CC1=CC2=C(Br)C=CC=C2N1 CS14478 [0,1,0,1,0,0|2,0,0]=4 1033 B12R2.202 CC1=CC2=NC=CC(Cl)=C2O1 MC104017 [0,1,0,1,0,0|2,0,0]=4 1034 B12R2.202 CC1=NC2=C(C=CC=C2Br)N1 CS14639 [0,1,0,1,0,0|2,0,0]=4 1035 B12R2.202 CC1=NC2=C(C=CC=C2Br)O1 MC442517 [0,1,0,1,0,0|1,0,0]=3 1036 B12R2.202 CC1=NC2=C(C=CC=C2Br)S1 MC427102 [0,1,0,1,0,0|1,1,0]=4 1037 B12R2.202 CC1=NC2=C(O1)C(Br)=CC=C2 CS12799 [0,1,0,1,0,0|1,0,0]=3 1038 B12R2.202 CC1=NC2=C(S1)C(Br)=CC=C2 CS17820 [0,1,0,1,0,0|1,1,0]=4 1039 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 CS18574 [0,1,0,1,0,0|1,0,0]=3 1040 B12R2.202 O=C1CC2=C(Br)C=CN=C2N1 CS12508 [0,1,0,1,0,0|2,0,0]=4 1041 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 CS18158 [0,1,0,1,0,0|1,0,0]=3 1042 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 CS22838 [0,1,0,1,0,0|1,0,0]=3 1043 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 CS14679 [0,1,0,1,0,0|1,0,0]=3 1044 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 CS22741 [0,1,0,1,0,0|1,0,0]=3 1045 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 MC10111 [0,1,0,1,0,0|1,0,0]=3 1046 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 MC10168 [0,1,0,1,0,0|1,0,0]=3 1047 B12R2.202 O=C1NC2=C(C=CC=C2Cl)S1 MC31137 [0,1,0,1,0,0|1,1,0]=4 1048 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 CS15435 [0,1,0,1,0,0|1,1,0]=4 1049 B12R2.202 O=C1NC2=C(O1)C(Br)=CC=C2 CS14681 [0,1,0,1,0,0|1,0,0]=3 1050 B12R2.202 O=C1NC2=C(S1)C(Cl)=CC=C2 CS17214 [0,1,0,1,0,0|1,1,0]=4 1051 B8R1.8 O=CCC1=CC=CS1 CS17423 [1,0,0,0,1,0|2,0,0]=4 1052 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [0,0,0,0,2,0|1,0,0]=3 1053 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [0,0,0,0,2,0|1,0,0]=3 1054 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [0,0,0,0,2,0|2,0,0]=4 1055 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [0,0,0,0,2,0|2,0,0]=4 1056 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [0,0,0,0,2,0|1,0,0]=3 1057 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [0,0,0,0,2,0|2,0,0]=4 1058 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [0,0,0,0,2,0|2,0,0]=4 1059 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [0,0,0,0,2,0|2,0,0]=4 1060 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [0,0,0,0,2,0|2,0,0]=4 1061 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [0,0,0,0,2,0|2,0,0]=4 1062 B8R1.7 CC(=O)N1C=CN=C1 MC428372 [0,0,0,0,2,0|2,0,0]=4 1063 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [0,0,0,0,2,0|2,0,0]=4 1064 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [0,0,0,0,2,0|2,0,0]=4 1065 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [0,0,0,0,2,0|2,0,0]=4 1066 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [0,0,0,0,2,0|2,0,0]=4 1067 B8R1.7 O=C(O)C1=COC=C1 CS14540 [0,0,0,0,2,0|2,0,0]=4 1068 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [0,0,0,0,2,0|2,0,0]=4 1069 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [0,0,0,0,0,2|0,0,0]=2 1070 B12R1.252 CC(C)=CCSC1=CC=CC=C1 MC41831 [0,0,0,0,0,2|1,1,0]=4 1071 B12R1.252 CC(O)COCC1=CC=CC=C1 CS20248 [0,0,0,0,0,2|0,0,2]=4 1072 B12R1.252 CN(C)CCOC1=CC=CC=C1 CS11261 [0,0,0,0,0,2|2,0,0]=4 1073 B12R1.252 NC(=S)COCC1=CC=CC=C1 MC430689 [0,0,0,0,0,2|1,1,0]=4 1074 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MC40204 [0,0,0,0,0,2|1,0,0]=3 1075 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS21182 [0,0,0,0,0,2|2,0,0]=4 1076 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [0,0,0,0,0,2|1,0,0]=3