0 B11R1.40 CC(C#N)NC1=CC=CC=C1 MC428132 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,0,0,0,0,0|1,0,3]=4 3 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [1,0,0,0,0,0|1,0,1]=3 4 B10R1.17 O=CC#CC1=CC=CC=C1 CS18196 [1,0,0,0,0,0|0,0,2]=3 5 B10R1.18 BrC(Br)=CC1=CC=CC=C1 CS16193 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.18 CC(=O)CC1=NC=CC=N1 MC429990 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [1,0,0,0,0,0|1,0,2]=4 12 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [1,0,0,0,0,0|1,0,2]=4 14 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [1,0,0,0,0,0|1,0,1]=3 22 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 MC20896 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MC445160 [0,1,0,0,0,0|0,0,2]=3 24 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O MC20809 [0,1,0,0,0,0|1,0,1]=3 25 B12R1.43 CN(CC1=NC=CC=C1)C(=O)Cl MC110623 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438079 [0,1,0,0,0,0|1,0,2]=4 27 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438080 [0,1,0,0,0,0|1,0,2]=4 28 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438081 [0,1,0,0,0,0|1,0,2]=4 29 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438082 [0,1,0,0,0,0|1,0,2]=4 30 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS15443 [0,1,0,0,0,0|1,0,2]=4 31 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS18748 [0,1,0,0,0,0|1,0,2]=4 32 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS21178 [0,1,0,0,0,0|1,0,2]=4 33 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [0,1,0,0,0,0|1,0,2]=4 34 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [0,1,0,0,0,0|1,0,2]=4 35 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [0,1,0,0,0,0|1,0,2]=4 36 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 MC107629 [0,1,0,0,0,0|3,0,0]=4 37 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 CS22136 [0,0,0,1,0,0|2,0,0]=3 38 B12R2.18 CC1=C(I)C2=CC=CN=C2N1 MC102012 [0,0,0,1,0,0|3,0,0]=4 39 B12R2.18 CC1=C(N)N2C=CC=CC2=N1 CS21690 [0,0,0,1,0,0|3,0,0]=4 40 B12R2.18 CC1=C(O)C2=NC=CC=C2O1 MC427139 [0,0,0,1,0,0|2,0,1]=4 41 B12R2.18 CC1=CC2=CC=CC=C2N1C CS10010 [0,0,0,1,0,0|2,0,0]=3 42 B12R2.18 CC1CC2=CC=CC=C2C1=O MC446688 [0,0,0,1,0,0|0,0,2]=3 43 B12R2.18 CN1C(N)=CC2=CC=CC=C21 MC106654 [0,0,0,1,0,0|3,0,0]=4 44 B12R2.18 CN1N=C2C=CC=CC2=C1Br MC104938 [0,0,0,1,0,0|3,0,0]=4 45 B12R2.18 CN1NC2=CC=CC=C2C1=O MC442274 [0,0,0,1,0,0|2,0,0]=3 46 B12R2.18 O=C1NC2=CC=CC=C2C1=O CS11506 [0,0,0,1,0,0|2,0,0]=3 47 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS19153 [0,0,0,1,0,0|2,0,0]=3 48 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 CS22177 [0,0,0,1,0,0|3,0,0]=4 49 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 CS21394 [0,0,0,1,0,0|2,0,0]=3 50 B12R2.24 BrC1=CC2=CC=CN=C2N=C1 MC442578 [0,0,0,1,0,0|3,0,0]=4 51 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 CS22124 [0,0,0,1,0,0|3,0,0]=4 52 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 CS19085 [0,0,0,1,0,0|3,0,0]=4 53 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 CS19165 [0,0,0,1,0,0|3,0,0]=4 54 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 CS21398 [0,0,0,1,0,0|3,0,0]=4 55 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 CS10941 [0,0,0,1,0,0|3,0,0]=4 56 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 CS21392 [0,0,0,1,0,0|3,0,0]=4 57 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 CS19018 [0,0,0,1,0,0|3,0,0]=4 58 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CS19703 [0,0,0,1,0,0|2,0,0]=3 59 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS11336 [0,0,0,1,0,0|1,0,0]=2 60 B12R2.24 CC1=CC=C2C=CC=NC2=C1 MC20324 [0,0,0,1,0,0|2,0,0]=3 61 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CS10742 [0,0,0,1,0,0|2,0,0]=3 62 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CS10066 [0,0,0,1,0,0|2,0,0]=3 63 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CS15412 [0,0,0,1,0,0|3,0,0]=4 64 B12R2.24 CC1=NC2=C(C=CC=C2)N=N1 MC106658 [0,0,0,1,0,0|3,0,0]=4 65 B12R2.24 CC1=NC2=CC=CC=C2C=C1 CS11335 [0,0,0,1,0,0|2,0,0]=3 66 B12R2.24 CC1=NC2=CN=CC=C2C=C1 MC111420 [0,0,0,1,0,0|3,0,0]=4 67 B12R2.24 CC1=NC2=NC=CC=C2C=C1 CS18023 [0,0,0,1,0,0|3,0,0]=4 68 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 CS22238 [0,0,0,1,0,0|3,0,0]=4 69 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 CS22245 [0,0,0,1,0,0|2,0,0]=3 70 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CS10811 [0,0,0,1,0,0|3,0,0]=4 71 B12R2.24 ClC1=CC=C2C=NC=CC2=C1 CS11526 [0,0,0,1,0,0|3,0,0]=4 72 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 CS21425 [0,0,0,1,0,0|3,0,0]=4 73 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS21419 [0,0,0,1,0,0|3,0,0]=4 74 B12R2.24 FC1=CC2=CC=CC=C2C=N1 MC429919 [0,0,0,1,0,0|3,0,0]=4 75 B12R2.24 FC1=CC=C2C=NC=CC2=C1 CS14751 [0,0,0,1,0,0|3,0,0]=4 76 B12R2.24 FC1=CC=C2N=CC=CC2=C1 CS12098 [0,0,0,1,0,0|3,0,0]=4 77 B12R2.24 IC1=CC=C2N=CC=CC2=C1 MC30340 [0,0,0,1,0,0|3,0,0]=4 78 B12R2.24 NC1=CC2=CC=CC=C2C=C1 MC41753 [0,0,0,1,0,0|2,0,0]=3 79 B12R2.24 NC1=CC2=CC=CC=C2C=N1 CS21593 [0,0,0,1,0,0|3,0,0]=4 80 B12R2.24 NC1=CC2=CC=CC=C2N=C1 CS11010 [0,0,0,1,0,0|2,0,0]=3 81 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CS12077 [0,0,0,1,0,0|3,0,0]=4 82 B12R2.24 NC1=CC=C2C=CN=CC2=C1 CS18893 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CS18181 [0,0,0,1,0,0|3,0,0]=4 84 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CS11016 [0,0,0,1,0,0|3,0,0]=4 85 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS11009 [0,0,0,1,0,0|3,0,0]=4 86 B12R2.24 O=C1C=C2C=CC=CC2=NN1 CS16596 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.24 OC1=CC2=CC=CC=C2C=C1 CS21708 [0,0,0,1,0,0|2,0,0]=3 88 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS19154 [0,0,0,1,0,0|2,0,0]=3 89 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CS10982 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.24 OC1=CC=C2C=CN=CC2=C1 MC441084 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.24 OC1=CC=C2C=NC=CC2=C1 CS18471 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.24 OC1=NC2=CC=CC=C2N=C1 CS21605 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.24 [O-][N+]1=CC2=CC=CC=C2C=C1 CS21529 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 CS21513 [0,0,0,1,0,0|2,0,1]=4 95 B12R2.32 N#CC1=CC2=C(C=CC=C2)S1 CS14975 [0,0,0,1,0,0|2,0,1]=4 96 B12R2.32 N#CC1=CC2=CC=CC=C2N1 CS17089 [0,0,0,1,0,0|2,0,1]=4 97 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 MC111185 [0,0,0,1,0,0|2,0,1]=4 98 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 CS10964 [0,0,0,1,0,0|1,0,0]=2 99 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS18099 [0,0,0,1,0,0|1,0,0]=2 100 B12R2.32 O=CC1=CC2=CC=NC=C2N1 MC116282 [0,0,0,1,0,0|2,0,0]=3 101 B12R2.32 O=CC1=CC2=CC=NC=C2S1 MC441877 [0,0,0,1,0,0|2,0,0]=3 102 B12R2.32 O=CC1=CC2=NC=CC=C2O1 MC103691 [0,0,0,1,0,0|2,0,0]=3 103 B12R2.32 O=CC1=CN2C=CN=CC2=N1 MC100038 [0,0,0,1,0,0|3,0,0]=4 104 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 MC33243 [0,0,0,1,0,0|2,0,0]=3 105 B12R2.32 OCC1=CC2=CC=CC=C2N1 CS20715 [0,0,0,1,0,0|1,0,2]=4 106 B10R1.15 C=C(C#N)C1=CC=CC=C1 MC106124 [0,0,0,0,1,0|1,0,2]=4 107 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [0,0,0,0,1,0|1,0,2]=4 108 B10R1.15 C=CC(N)C1=CC=CC=C1 MC102512 [0,0,0,0,1,0|2,0,1]=4 109 B10R1.15 CC(CN)C1=CC=CC=C1 CS10909 [0,0,0,0,1,0|1,0,2]=4 110 B10R1.15 CC(CN)c1ccccc1 MC110750 [0,0,0,0,1,0|1,0,2]=4 111 B10R1.15 CC(NO)c1ccccc1 MC103844 [0,0,0,0,1,0|1,0,2]=4 112 B10R1.15 CC(NO)c1ccccc1 MC103845 [0,0,0,0,1,0|1,0,2]=4 113 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [0,0,0,0,1,0|1,0,2]=4 114 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [0,0,0,0,1,0|1,0,2]=4 115 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [0,0,0,0,1,0|1,0,0]=2 116 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [0,0,0,0,1,0|3,0,0]=4 117 B10R1.15 C\C(=C\Br)C1=CC=NC=C1 MC111870 [0,0,0,0,1,0|2,0,0]=3 118 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [0,0,0,0,1,0|2,0,1]=4 119 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [0,0,0,0,1,0|3,0,0]=4 120 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [0,0,0,0,1,0|2,0,1]=4 121 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [0,0,0,0,1,0|2,0,1]=4 122 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [0,0,0,0,1,0|2,0,1]=4 123 B9R1.8 CCNC1=CC=CC=C1 MC40913 [2,0,0,0,0,0|1,0,1]=4 124 B9R1.8 CNCC1=CC=CC=C1 MC10559 [2,0,0,0,0,0|1,0,1]=4 125 B9R1.8 CNCC1=CC=CC=C1 MC20323 [2,0,0,0,0,0|1,0,1]=4 126 B9R1.8 CNCC1=CC=CC=C1 MC21006 [2,0,0,0,0,0|1,0,1]=4 127 B9R1.8 O=C=NC1=CC=CC=C1 MC41051 [2,0,0,0,0,0|1,0,1]=4 128 B9R1.8 O=CCC1=CC=CN=C1 MC106360 [2,0,0,0,0,0|1,0,1]=4 129 B9R1.8 O=CCC1=CC=NC=C1 MC106357 [2,0,0,0,0,0|1,0,1]=4 130 B9R1.8 O=CNC1=CC=CC=C1 MC40924 [2,0,0,0,0,0|1,0,0]=3 131 B9R1.8 O=COC1=CC=CC=C1 MC40136 [2,0,0,0,0,0|1,0,0]=3 132 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 CS16393 [1,1,0,0,0,0|0,0,0]=2 133 B11R1.1 N#C\C=C\C1=CC=C(F)C=C1 MC107446 [1,1,0,0,0,0|1,0,1]=4 134 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 CS14013 [1,1,0,0,0,0|0,0,0]=2 135 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 MC106741 [1,1,0,0,0,0|0,0,2]=4 136 B11R1.28 Cl[Zn]C\C=C\c1ccccc1 MC116079 [1,1,0,0,0,0|1,0,1]=4 137 B11R1.28 O=CCOCC1=CC=CC=C1 MC429084 [1,1,0,0,0,0|0,0,2]=4 138 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [1,1,0,0,0,0|1,0,1]=4 139 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [1,1,0,0,0,0|1,0,1]=4 140 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS21725 [1,1,0,0,0,0|0,0,0]=2 141 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [1,1,0,0,0,0|1,0,1]=4 142 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS10957 [1,1,0,0,0,0|0,0,2]=4 143 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [1,1,0,0,0,0|1,0,1]=4 144 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [1,1,0,0,0,0|0,0,0]=2 145 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20186 [1,1,0,0,0,0|1,0,0]=3 146 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 MC20799 [1,1,0,0,0,0|1,0,0]=3 147 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 MC443830 [1,1,0,0,0,0|1,0,0]=3 148 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 MC442565 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 MC10315 [1,1,0,0,0,0|0,0,1]=3 150 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 CS22844 [1,1,0,0,0,0|0,0,1]=3 151 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 MC428013 [1,1,0,0,0,0|1,0,0]=3 152 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 MC33116 [1,1,0,0,0,0|1,0,0]=3 153 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 CS19283 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 MC40002 [1,1,0,0,0,0|1,0,0]=3 155 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 MC20138 [1,1,0,0,0,0|1,0,0]=3 156 B11R1.20 CC(=O)OC1=CC=C(I)C=C1 MC103137 [1,1,0,0,0,0|1,0,0]=3 157 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS21084 [1,1,0,0,0,0|1,0,1]=4 158 B11R1.20 FC(F)=CC1=CC=C(Br)C=C1 MC442082 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS21002 [1,1,0,0,0,0|1,0,1]=4 160 B11R1.20 O=C(Cl)Oc1ccc(Br)cc1 MC434070 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.20 O=C(Cl)Oc1ccc(F)cc1 MC434069 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS20812 [1,1,0,0,0,0|1,0,1]=4 163 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 MC40158 [1,1,0,0,0,0|1,0,1]=4 164 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 CS10817 [1,1,0,0,0,0|1,0,1]=4 165 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 CS20852 [1,1,0,0,0,0|1,0,1]=4 166 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 MC40180 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 MC40184 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 CS19083 [1,1,0,0,0,0|1,0,0]=3 169 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 MC443670 [1,1,0,0,0,0|1,0,1]=4 170 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS10890 [1,1,0,0,0,0|1,0,1]=4 171 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS14544 [1,1,0,0,0,0|1,0,1]=4 172 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 CS15488 [1,1,0,0,0,0|1,0,1]=4 173 B11R1.36 NC(=O)C(N)c1ccccc1 MC438104 [1,1,0,0,0,0|1,0,1]=4 174 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 CS15858 [1,1,0,0,0,0|1,0,1]=4 175 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS11192 [1,1,0,0,0,0|1,0,1]=4 176 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS14083 [1,1,0,0,0,0|1,0,1]=4 177 B11R1.36 NC(C(=O)O)c1ccccc1 MC438102 [1,1,0,0,0,0|1,0,1]=4 178 B11R1.36 NC(C(=O)O)c1ccccc1 MC438103 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10861 [1,1,0,0,0,0|1,0,1]=4 180 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10862 [1,1,0,0,0,0|1,0,1]=4 181 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS15279 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 MC10294 [1,1,0,0,0,0|0,0,1]=3 183 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 MC10318 [1,1,0,0,0,0|0,0,1]=3 184 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 MC427446 [1,1,0,0,0,0|1,0,0]=3 185 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 CS21203 [1,1,0,0,0,0|1,0,0]=3 186 B11R1.86 CC(=O)NC1=NC=CC=C1O MC427313 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.86 CC(=O)OC1=C(C)C=CC=C1 MC40007 [1,1,0,0,0,0|1,0,0]=3 188 B11R1.86 CC(=S)NC1=C(Br)C=CC=C1 MC427451 [1,1,0,0,0,0|1,1,0]=4 189 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 CS21083 [1,1,0,0,0,0|1,0,1]=4 190 B11R1.86 NC1=C(CC(=O)O)C=CC=C1 CS20995 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 CS20809 [1,1,0,0,0,0|1,0,1]=4 192 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 CS20826 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 MC429403 [1,1,0,0,0,0|1,0,1]=4 194 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 CS20849 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 CS20941 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS22187 [1,1,0,0,0,0|0,0,1]=3 197 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 CS11707 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 MC33114 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 CS22093 [1,1,0,0,0,0|1,0,0]=3 200 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 CS16776 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.157 CC(=O)NC1=NC=CC(Cl)=C1 CS11715 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.157 CC(=O)OC1=CC(Br)=CC=C1 MC40001 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.157 CC(=O)OC1=CC(C)=CC=C1 MC40008 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 MC40004 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.157 Cc1cccc(CC(=O)O)c1 MC433961 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.157 FC(F)=CC1=CC=CC(Br)=C1 MC442083 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 CS21911 [1,1,0,0,0,0|1,0,1]=4 208 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 CS10775 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 CS21923 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 MC40173 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 CS20851 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 CS20944 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 CS15989 [0,1,0,0,1,0|1,0,0]=3 214 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 MC427408 [0,1,0,0,1,0|1,0,0]=3 215 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 CS20192 [0,1,0,0,1,0|1,0,0]=3 216 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 CS18120 [0,1,0,0,1,0|1,0,0]=3 217 B11R1.35 C\C(=C/C1=CC=CO1)[N+](=O)[O-] MC107757 [0,1,0,0,1,0|2,0,0]=4 218 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O CS17364 [0,1,0,0,0,1|0,0,2]=4 219 B13R1.348 CN(CC(=O)[O-])CC1=CC=CC=C1 MC106249 [0,2,0,0,0,0|1,0,1]=4 220 B13R1.148 CC1=CC=CC(NC(C)C(=O)O)=C1 MC426011 [0,2,0,0,0,0|1,0,1]=4 221 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O CS17818 [0,2,0,0,0,0|0,0,2]=4 222 B13R1.418 CNC(Cc1ccccc1)C(=O)O MC437926 [0,2,0,0,0,0|0,0,2]=4 223 B13R1.1073 CC(=O)C(C)(O)CC1=CC=CC=C1 MC106869 [0,2,0,0,0,0|0,0,2]=4 224 B13R1.1073 CC(N)(Cc1ccccc1)C(=O)O MC437929 [0,2,0,0,0,0|0,0,2]=4 225 B13R1.1073 CC(N)(Cc1ccccc1)C(=O)O MC437930 [0,2,0,0,0,0|0,0,2]=4 226 B13R1.1073 CC(N)(Cc1ccccc1)C(=O)O MC437931 [0,2,0,0,0,0|0,0,2]=4 227 B11R1.37 C=CC1=C(C=O)C=CC(C)=C1 MC112222 [0,0,1,1,0,0|2,0,0]=4 228 B11R2.1 BrC1=COC2=C1C=CC=C2 CS20626 [1,0,0,1,0,0|2,0,0]=4 229 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [1,0,0,1,0,0|1,0,1]=4 230 B11R2.1 CC1=CNC2=CC=CC=C12 CS11030 [1,0,0,1,0,0|2,0,0]=4 231 B11R2.1 CC1=COC2=C1C=CC=C2 MC30270 [1,0,0,1,0,0|2,0,0]=4 232 B11R2.1 CN1C=CC2=CC=CC=C21 CS11026 [1,0,0,1,0,0|2,0,0]=4 233 B11R2.1 ClC1=CNC2=CC=CC=C12 MC427199 [1,0,0,1,0,0|2,0,0]=4 234 B11R2.1 ClC1=COC2=C1C=CC=C2 MC114725 [1,0,0,1,0,0|2,0,0]=4 235 B11R2.1 IC1=CSC2=C1C=CC=C2 CS22329 [1,0,0,1,0,0|2,0,0]=4 236 B11R2.1 NC1=CSC2=C1C=CC=C2 CS13998 [1,0,0,1,0,0|2,0,0]=4 237 B11R2.1 NN1C=CC2=CC=CC=C21 CS19942 [1,0,0,1,0,0|2,0,0]=4 238 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [1,0,0,1,0,0|0,0,2]=4 239 B11R2.1 O=C1COC2=C1C=CC=C2 CS20787 [1,0,0,1,0,0|1,0,1]=4 240 B11R2.1 O=C1CSC2=C1C=CC=C2 CS20606 [1,0,0,1,0,0|1,0,1]=4 241 B11R2.1 O=C1NCC2=CC=CC=C12 CS11515 [1,0,0,1,0,0|1,0,1]=4 242 B11R2.1 O=C1NNC2=CC=CC=C12 MC441212 [1,0,0,1,0,0|2,0,0]=4 243 B11R2.1 O=C1NSC2=C1C=CC=C2 CS14057 [1,0,0,1,0,0|2,0,0]=4 244 B11R2.1 O=C1OCC2=CC=CC=C12 CS11853 [1,0,0,1,0,0|1,0,1]=4 245 B11R2.1 O=C1SSC2=C1C=CC=C2 MC428208 [1,0,0,1,0,0|2,0,0]=4 246 B11R2.1 O=S1C=NC2=C1C=CC=C2 MC31232 [1,0,0,1,0,0|2,0,0]=4 247 B11R2.20 C1=CC2=CN=CC=C2N=C1 MC442547 [1,0,0,1,0,0|2,0,0]=4 248 B11R2.20 C1=CC=C2C=NC=CC2=C1 CS19770 [1,0,0,1,0,0|2,0,0]=4 249 B11R2.20 C1=CC=C2CC=CCC2=C1 CS11050 [1,0,0,1,0,0|1,0,1]=4 250 B11R2.20 C1=CC=C2N=CC=CC2=C1 CS11929 [1,0,0,1,0,0|1,0,0]=3 251 B11R2.20 C1=CC=C2N=CC=NC2=C1 CS11932 [1,0,0,1,0,0|2,0,0]=4 252 B11R2.20 C1=CC=C2N=CN=CC2=C1 CS11926 [1,0,0,1,0,0|2,0,0]=4 253 B11R2.20 C1=CC=C2N=NC=CC2=C1 CS11145 [1,0,0,1,0,0|2,0,0]=4 254 B11R2.20 C1=CN=C2C=CC=NC2=C1 CS20548 [1,0,0,1,0,0|2,0,0]=4 255 B11R2.10 BrC1=CC2=CC=CC=C2C1 CS21490 [1,0,0,1,0,0|1,0,0]=3 256 B11R2.10 CC1=CC2=C(C=CN=C2)N1 CS15018 [1,0,0,1,0,0|2,0,0]=4 257 B11R2.10 CC1=CC2=CC=CC=C2C1 CS11052 [1,0,0,1,0,0|0,0,1]=3 258 B11R2.10 CC1=CC2=CC=CC=C2N1 CS18563 [1,0,0,1,0,0|1,0,0]=3 259 B11R2.10 CC1=CC2=CC=CN=C2N1 CS19733 [1,0,0,1,0,0|2,0,0]=4 260 B11R2.10 CC1=CC2=CC=NC=C2N1 MC104002 [1,0,0,1,0,0|2,0,0]=4 261 B11R2.10 CC1=CC2=NC=CC=C2N1 CS15017 [1,0,0,1,0,0|2,0,0]=4 262 B11R2.10 CC1=CN2C=CC=CC2=N1 CS21691 [1,0,0,1,0,0|2,0,0]=4 263 B11R2.10 CC1=NC2=C(C=CC=C2)N1 CS15288 [1,0,0,1,0,0|2,0,0]=4 264 B11R2.10 CC1=NC2=C(C=CC=C2)O1 MC31235 [1,0,0,1,0,0|1,0,1]=4 265 B11R2.10 CC1=NC2=C(C=CC=C2)S1 CS21687 [1,0,0,1,0,0|1,1,0]=4 266 B11R2.10 ClC1=CC2=CC=CC=C2N1 MC444183 [1,0,0,1,0,0|2,0,0]=4 267 B11R2.10 NC1=CC2=C(C=CC=C2)S1 CS12846 [1,0,0,1,0,0|1,1,0]=4 268 B11R2.10 O=C1CC2=C(C=CC=C2)O1 MC20944 [1,0,0,1,0,0|1,0,0]=3 269 B11R2.10 O=C1CC2=CC=CC=C2C1 CS16080 [1,0,0,1,0,0|0,0,1]=3 270 B11R2.10 O=C1CC2=CC=CC=C2N1 CS15184 [1,0,0,1,0,0|1,0,0]=3 271 B11R2.10 O=C1CC2=CC=NC=C2N1 MC100071 [1,0,0,1,0,0|2,0,0]=4 272 B11R2.10 O=C1CC2=NC=CC=C2O1 MC106428 [1,0,0,1,0,0|2,0,0]=4 273 B11R2.10 O=C1CN2C=CC=CC2=N1 MC427358 [1,0,0,1,0,0|2,0,0]=4 274 B11R2.10 O=C1NC2=C(C=CC=C2)O1 CS15190 [1,0,0,1,0,0|2,0,0]=4 275 B11R2.10 O=C1OC2=C(C=CC=C2)O1 CS10973 [1,0,0,1,0,0|2,0,0]=4 276 B11R2.36 CC1=CC2=C(C=C1)OC=C2 MC441161 [0,0,0,1,1,0|2,0,0]=4 277 B11R2.36 CC1=CC2=C(C=CS2)C=C1 MC441147 [0,0,0,1,1,0|2,0,0]=4 278 B11R2.36 CC1=CC=C2C=CCC2=C1 MC446782 [0,0,0,1,1,0|1,0,1]=4 279 B11R2.36 CC1=CC=C2NC=CC2=C1 CS11033 [0,0,0,1,1,0|2,0,0]=4 280 B11R2.36 CC1=CN=C2NC=CC2=C1 CS10438 [0,0,0,1,1,0|2,0,0]=4 281 B13R2.10 BrC1=CC=C(C2=CC=CC=C2)S1 MC440215 [0,0,0,1,0,1|2,0,0]=4 282 B13R2.10 BrC1=CN(C2=CC=CC=C2)N=C1 CS22626 [0,0,0,1,0,1|2,0,0]=4 283 B13R2.10 BrC1=CN=C(C2=CC=CC=C2)O1 CS10282 [0,0,0,1,0,1|2,0,0]=4 284 B13R2.10 BrC1=CN=C(C2=CC=CC=C2)S1 MC443781 [0,0,0,1,0,1|2,0,0]=4 285 B13R2.10 BrC1=CSC(C2=CC=CC=C2)=N1 MC442709 [0,0,0,1,0,1|1,1,0]=4 286 B13R2.10 CC1=NN(C2=CC=CC=C2)C=C1 MC106504 [0,0,0,1,0,1|2,0,0]=4 287 B13R2.10 CN1C=NC(C2=CC=CC=C2)=C1 MC111431 [0,0,0,1,0,1|2,0,0]=4 288 B13R2.10 IC1=CC=C(C2=CC=CC=C2)S1 MC440214 [0,0,0,1,0,1|2,0,0]=4 289 B13R2.10 OC1=CSC(C2=CC=CC=C2)=N1 MC100015 [0,0,0,1,0,1|1,1,0]=4 290 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=C1 MC418479 [0,0,0,1,0,1|2,0,0]=4 291 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=N1 CS14781 [0,0,0,1,0,1|2,0,0]=4 292 B13R2.32 CC1=C(Br)C=CC2=CC=CC=C21 MC100339 [0,0,0,1,0,1|2,0,0]=4 293 B13R2.32 CC1=C(O)C2=CC=CC=C2C=C1 CS11396 [0,0,0,1,0,1|0,0,1]=3 294 B13R2.32 CN1C=CC2=CC=CC=C2C1=O CS16983 [0,0,0,1,0,1|1,0,0]=3 295 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 MC443371 [0,0,0,1,0,1|2,0,0]=4 296 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=N1 MC442467 [0,0,0,1,0,1|2,0,0]=4 297 B13R2.32 NC1=C(Br)C=NC2=CC=CC=C21 CS18266 [0,0,0,1,0,1|2,0,0]=4 298 B13R2.32 NC1=C(Cl)N=CC2=CC=CC=C21 CS12478 [0,0,0,1,0,1|2,0,0]=4 299 B13R2.32 NC1=C(I)C2=CC=CC=C2C=C1 MC432564 [0,0,0,1,0,1|2,0,0]=4 300 B13R2.32 NC1=C(O)C2=CC=CC=C2C=C1 MC111623 [0,0,0,1,0,1|1,0,1]=4 301 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 CS20594 [0,0,0,1,0,1|2,0,0]=4 302 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 CS11263 [0,0,0,1,0,1|2,0,0]=4 303 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 MC443143 [0,0,0,1,0,1|1,0,1]=4 304 B13R2.32 OC1=C(I)C=NC2=CC=CC=C21 CS17705 [0,0,0,1,0,1|1,0,1]=4 305 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 MC33249 [0,0,0,1,0,1|0,0,1]=3 306 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 CS10059 [0,0,0,1,0,1|0,0,1]=3 307 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 CS10500 [0,0,0,1,0,1|1,0,1]=4 308 B13R2.57 O=CC1=NC2=CC=CN=C2C=C1 MC111419 [0,0,0,1,0,1|2,0,0]=4 309 B13R2.57 O=CC1=NC2=CN=CC=C2C=C1 MC111421 [0,0,0,1,0,1|2,0,0]=4 310 B13R2.15 BrC1=C(C2=CC=CC=C2)OC=N1 MC115974 [0,1,0,1,0,0|1,0,1]=4 311 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 MC441027 [0,1,0,1,0,0|2,0,0]=4 312 B13R2.15 CN1N=CC=C1C2=CC=CC=C2 CS15590 [0,1,0,1,0,0|2,0,0]=4 313 B13R2.135 CC1=C(C=O)C2=CC=CC=C2N1 CS10068 [0,1,0,1,0,0|1,0,0]=3 314 B13R2.135 CC1=C(C=O)C2=CC=CN=C2N1 CS14361 [0,1,0,1,0,0|2,0,0]=4 315 B13R2.135 CC1=C(C=O)N2C=CC=CC2=N1 MC441097 [0,1,0,1,0,0|2,0,0]=4 316 B13R2.135 O=CC1=C(Br)SC2=C1C=CC=C2 MC443450 [0,1,0,1,0,0|2,0,0]=4 317 B13R2.328 BrC1=CC(I)=CC2=CC=CC=C12 MC431929 [0,1,0,1,0,0|2,0,0]=4 318 B13R2.328 BrC1=CC2=CC=CC=C2C(Br)=N1 CS12194 [0,1,0,1,0,0|2,0,0]=4 319 B13R2.328 CC1=CC(Br)=CC2=CC=CC=C12 MC431970 [0,1,0,1,0,0|2,0,0]=4 320 B13R2.328 CC1=CC(Cl)=C2N=CC=CC2=C1 MC115947 [0,1,0,1,0,0|2,0,0]=4 321 B13R2.328 CC1=CC2=CC=CC=C2C(=O)N1 MC33415 [0,1,0,1,0,0|0,0,0]=2 322 B13R2.328 CC1=CC2=CC=CC=C2C(Br)=C1 CS17170 [0,1,0,1,0,0|1,0,0]=3 323 B13R2.328 CC1=CC2=CC=CC=C2C(Cl)=N1 MC33405 [0,1,0,1,0,0|1,0,0]=3 324 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 CS21531 [0,1,0,1,0,0|1,0,0]=3 325 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 CS22654 [0,1,0,1,0,0|2,0,0]=4 326 B13R2.328 CC1=NC2=CC=CC=C2C(C)=N1 MC113274 [0,1,0,1,0,0|2,0,0]=4 327 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=N1 CS12359 [0,1,0,1,0,0|2,0,0]=4 328 B13R2.328 ClC1=CC2=CC=CC=C2C(Cl)=N1 MC10229 [0,1,0,1,0,0|2,0,0]=4 329 B13R2.328 NC1=CC2=CC=CC=C2C(Br)=C1 CS17133 [0,1,0,1,0,0|2,0,0]=4 330 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 MC33305 [0,1,0,1,0,0|1,0,1]=4 331 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 MC30198 [0,1,0,1,0,0|2,0,0]=4 332 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 CS10996 [0,1,0,1,0,0|2,0,0]=4 333 B13R2.328 O=C1NC(Cl)=NC2=CC=CC=C12 CS15421 [0,1,0,1,0,0|2,0,0]=4 334 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 CS11507 [0,1,0,1,0,0|2,0,0]=4 335 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 MC33348 [0,1,0,1,0,0|1,0,0]=3 336 B13R2.45 CN1C(CO)=CC2=CC=CC=C21 MC425400 [0,1,0,1,0,0|0,0,2]=4 337 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1Cl CS10531 [0,1,0,1,0,0|2,0,0]=4 338 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O CS11782 [0,1,0,1,0,0|2,0,0]=4 339 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br CS11242 [0,1,0,1,0,0|2,0,0]=4 340 B13R2.369 CC1=C(O)C=C2C=CC=NC2=C1 MC443422 [0,1,0,1,0,0|1,0,1]=4 341 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl CS15838 [0,1,0,1,0,0|2,0,0]=4 342 B13R2.369 NC1=CC2=CC=CC=C2C=C1I MC431733 [0,1,0,1,0,0|2,0,0]=4 343 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 CS11315 [0,1,0,1,0,0|1,0,0]=3 344 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 CS21212 [0,1,0,1,0,0|1,0,0]=3 345 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 MC33362 [0,1,0,1,0,0|2,0,0]=4 346 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 CS12977 [0,1,0,1,0,0|2,0,0]=4 347 B13R2.435 CC(=O)C1CC2=CC=CC=C2C1 MC41739 [0,1,0,1,0,0|0,0,2]=4 348 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 CS16659 [0,1,0,1,0,0|2,0,0]=4 349 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 CS21478 [0,1,0,1,0,0|1,0,0]=3 350 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 CS21476 [0,1,0,1,0,0|1,0,0]=3 351 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 CS14473 [0,1,0,1,0,0|2,0,0]=4 352 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 MC441179 [0,1,0,1,0,0|2,0,0]=4 353 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 CS22268 [0,1,0,1,0,0|1,0,0]=3 354 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 MC444444 [0,1,0,1,0,0|2,0,0]=4 355 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 MC441174 [0,1,0,1,0,0|2,0,0]=4 356 B13R2.435 O=C(O)C1=CC2=CC=NC=C2N1 CS18576 [0,1,0,1,0,0|2,0,0]=4 357 B13R2.435 O=C(O)C1=CC2=CC=NC=C2O1 MC115550 [0,1,0,1,0,0|2,0,0]=4 358 B13R2.435 O=C(O)C1=CC2=CC=NC=C2S1 MC441326 [0,1,0,1,0,0|2,0,0]=4 359 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 CS15306 [0,1,0,1,0,0|2,0,0]=4 360 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 MC441901 [0,1,0,1,0,0|2,0,0]=4 361 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 CS18408 [0,1,0,1,0,0|2,0,0]=4 362 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 CS18211 [0,1,0,1,0,0|2,0,0]=4 363 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 MC442734 [0,1,0,1,0,0|2,0,0]=4 364 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 CS10508 [0,1,0,1,0,0|2,0,0]=4 365 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 CS11042 [0,1,0,1,0,0|1,0,1]=4 366 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 MC20135 [0,1,0,1,0,0|1,0,1]=4 367 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)S1 MC441100 [0,1,0,1,0,0|1,0,0]=3 368 B13R2.43 O=CC1=CC2=CC=C(Cl)C=C2N1 CS16674 [0,1,0,1,0,0|1,0,0]=3 369 B13R2.43 O=CC1=NC2=C(C=CC(F)=C2)N1 MC106940 [0,1,0,1,0,0|2,0,0]=4 370 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 CS10988 [0,1,0,1,0,0|2,0,0]=4 371 B13R2.3028 CC1Cc2ccc(F)cc2C1=O MC30019 [0,1,0,1,0,0|0,0,2]=4 372 B13R2.3028 CN1CC2=CC=C(N)C=C2C1=O MC446650 [0,1,0,1,0,0|1,0,1]=4 373 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O CS22039 [0,1,0,1,0,0|2,0,0]=4 374 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O CS10615 [0,1,0,1,0,0|2,0,0]=4 375 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O CS22060 [0,1,0,1,0,0|2,0,0]=4 376 B13R2.3683 BrC1=CC=C2C=C(Br)C=CC2=C1 MC426176 [0,1,0,1,0,0|2,0,0]=4 377 B13R2.3683 CC1=CC=C2C=C(O)C=CC2=C1 CS10734 [0,1,0,1,0,0|1,0,0]=3 378 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 CS10739 [0,1,0,1,0,0|2,0,0]=4 379 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 CS11285 [0,1,0,1,0,0|2,0,0]=4 380 B13R2.3683 CC1=NC2=CC=C(F)C=C2C=C1 MC41789 [0,1,0,1,0,0|2,0,0]=4 381 B13R2.3683 C[N+]1=CC2=CC=C(Br)C=C2C=C1 MC111531 [0,1,0,1,0,0|2,0,0]=4 382 B13R2.3683 ClC1=CC2=CC=C(Br)C=C2N=C1 MC115949 [0,1,0,1,0,0|2,0,0]=4 383 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=C1 MC33106 [0,1,0,1,0,0|2,0,0]=4 384 B13R2.3683 NC1=CC2=CC=C(Br)C=C2C=C1 MC41747 [0,1,0,1,0,0|2,0,0]=4 385 B13R2.3683 NC1=CC2=CC=C(Br)C=C2N=C1 MC113416 [0,1,0,1,0,0|2,0,0]=4 386 B13R2.3683 NC1=CC2=CC=C(F)C=C2C=C1 MC441034 [0,1,0,1,0,0|2,0,0]=4 387 B13R2.3683 OC1=CC2=CC=C(Br)C=C2C=C1 CS13742 [0,1,0,1,0,0|2,0,0]=4 388 B13R2.3683 OC1=CC2=CC=C(Cl)C=C2C=C1 MC441106 [0,1,0,1,0,0|2,0,0]=4 389 B13R2.3683 OC1=CC2=CC=C(F)C=C2C=C1 MC441035 [0,1,0,1,0,0|2,0,0]=4 390 B13R2.155 BrC1=CC=C2C=CC(Br)=CC2=C1 CS19954 [0,1,0,1,0,0|2,0,0]=4 391 B13R2.155 BrC1=CC=C2N=CC(I)=CC2=C1 CS18141 [0,1,0,1,0,0|2,0,0]=4 392 B13R2.155 CC1=CC=C2C=CC(Br)=CC2=C1 CS16063 [0,1,0,1,0,0|1,0,0]=3 393 B13R2.155 CC1=CC=C2C=CC(Cl)=NC2=C1 MC440720 [0,1,0,1,0,0|2,0,0]=4 394 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 CS11293 [0,1,0,1,0,0|2,0,0]=4 395 B13R2.155 NC1=CC=C2N=CC(Br)=CC2=C1 MC106791 [0,1,0,1,0,0|2,0,0]=4 396 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=C1 CS18626 [0,1,0,1,0,0|2,0,0]=4 397 B13R2.155 OC1=CC=C2N=CC(Br)=CC2=C1 CS16651 [0,1,0,1,0,0|2,0,0]=4 398 B13R2.4856 CN1CC2=CC=CC(N)=C2C1=O MC104799 [0,1,0,1,0,0|1,0,1]=4 399 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O CS13924 [0,1,0,1,0,0|2,0,0]=4 400 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O CS22789 [0,1,0,1,0,0|2,0,0]=4 401 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O CS22839 [0,1,0,1,0,0|2,0,0]=4 402 B13R2.5179 BrC1=C2N=CC(I)=CC2=CC=C1 MC115647 [0,1,0,1,0,0|2,0,0]=4 403 B13R2.5179 BrC1=CC2=CC=CC(I)=C2N=C1 MC102529 [0,1,0,1,0,0|2,0,0]=4 404 B13R2.5179 CC1=CC=C2C(Cl)=CC=NC2=C1 MC443382 [0,1,0,1,0,0|2,0,0]=4 405 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 MC443731 [0,1,0,1,0,0|1,0,0]=3 406 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 MC41751 [0,1,0,1,0,0|2,0,0]=4 407 B13R2.5179 FC1=C2N=CC(Br)=CC2=CC=C1 MC429330 [0,1,0,1,0,0|2,0,0]=4 408 B13R2.5179 FC1=C2N=CC(I)=CC2=CC=C1 MC115831 [0,1,0,1,0,0|2,0,0]=4 409 B13R2.5179 NC1=CC=CC2=CC(F)=CC=C12 MC432422 [0,1,0,1,0,0|2,0,0]=4 410 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 CS15075 [0,1,0,1,0,0|2,0,0]=4 411 B13R2.5179 OC1=CC=CC2=CC(Br)=CC=C12 CS16736 [0,1,0,1,0,0|2,0,0]=4 412 B13R2.5179 OC1=CC=CC2=CC(F)=CC=C12 MC431749 [0,1,0,1,0,0|2,0,0]=4 413 B13R2.5190 CC1CC2=CC(F)=CC=C2C1=O MC446699 [0,1,0,1,0,0|0,0,2]=4 414 B13R2.5190 CN1CC2=CC(Br)=CC=C2C1=O CS12956 [0,1,0,1,0,0|1,0,1]=4 415 B13R2.5190 CN1CC2=CC(N)=CC=C2C1=O MC112990 [0,1,0,1,0,0|1,0,1]=4 416 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O CS15400 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O CS10616 [0,1,0,1,0,0|2,0,0]=4 418 B13R2.5190 O=C1NC2=CC(F)=CC=C2C1=O CS10704 [0,1,0,1,0,0|2,0,0]=4 419 B13R2.162 BrC1=CC=CC2=CC=C(I)C=C12 MC445702 [0,1,0,1,0,0|2,0,0]=4 420 B13R2.162 CC1=CC2=C(C=CC=C2N)N=N1 MC425219 [0,1,0,1,0,0|2,0,0]=4 421 B13R2.162 CC1=CC=C2C=CN=C(Cl)C2=C1 MC443164 [0,1,0,1,0,0|2,0,0]=4 422 B13R2.162 CC1=CC=C2C=NC=C(Br)C2=C1 CS16559 [0,1,0,1,0,0|2,0,0]=4 423 B13R2.162 CC1=NC2=C(N)C=CC=C2C=C1 CS10006 [0,1,0,1,0,0|2,0,0]=4 424 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 CS16057 [0,1,0,1,0,0|2,0,0]=4 425 B13R2.162 OC1=CC=CC2=C1C=C(Br)C=N2 CS15353 [0,1,0,1,0,0|2,0,0]=4 426 B13R2.162 OC1=CC=CC2=CC=C(Br)C=C12 MC432537 [0,1,0,1,0,0|2,0,0]=4 427 B13R2.162 OC1=CC=CC2=CC=C(F)C=C12 MC431686 [0,1,0,1,0,0|2,0,0]=4 428 B13R2.4825 CC1=C(C)C2=CC=CC(N)=C2N1 CS16681 [0,1,0,1,0,0|2,0,0]=4 429 B13R2.4825 CN1CC2=C(N)C=CC=C2C1=O MC103468 [0,1,0,1,0,0|1,0,1]=4 430 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O CS13925 [0,1,0,1,0,0|2,0,0]=4 431 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O CS20590 [0,1,0,1,0,0|2,0,0]=4 432 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O CS10646 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.12 O=C\C=C\C1=CC=CO1 CS21800 [1,0,0,0,1,0|1,0,0]=3 434 B9R1.12 O=C\C=C\C1=CC=CO1 CS21801 [1,0,0,0,1,0|1,0,0]=3 435 B9R1.6 C=C(C)C1=CC=NC=C1 MC111872 [1,0,0,0,1,0|1,0,0]=3 436 B9R1.6 C=C(F)C1=CC=CC=C1 MC102770 [1,0,0,0,1,0|1,0,0]=3 437 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [1,0,0,0,1,0|0,0,0]=2 438 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [1,0,0,0,1,0|1,0,0]=3 439 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [1,0,0,0,1,0|2,0,0]=4 440 B9R1.6 CC(=O)C1=CC=NC=C1 CS22535 [1,0,0,0,1,0|1,0,0]=3 441 B9R1.6 CC(=O)C1=CN=CN=C1 MC444371 [1,0,0,0,1,0|2,0,0]=4 442 B9R1.6 CC(=O)C1=CN=NC=C1 MC444309 [1,0,0,0,1,0|2,0,0]=4 443 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [1,0,0,0,1,0|1,0,0]=3 444 B9R1.6 CC(=O)C1=NC=CC=N1 MC444159 [1,0,0,0,1,0|2,0,0]=4 445 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [1,0,0,0,1,0|2,0,0]=4 446 B9R1.6 CC(=O)C1=NC=NC=C1 MC442362 [1,0,0,0,1,0|2,0,0]=4 447 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [1,0,0,0,1,0|1,0,1]=4 448 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [1,0,0,0,1,0|1,0,1]=4 449 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [1,0,0,0,1,0|1,0,1]=4 450 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [1,0,0,0,1,0|0,0,2]=4 451 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [1,0,0,0,1,0|1,0,1]=4 452 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [1,0,0,0,1,0|1,0,0]=3 453 B9R1.6 N=C(N)C1=CC=CC=C1 CS14830 [1,0,0,0,1,0|2,0,0]=4 454 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [1,0,0,0,1,0|1,0,0]=3 455 B9R1.6 NC(=O)C1=CC=NC=C1 CS13721 [1,0,0,0,1,0|2,0,0]=4 456 B9R1.6 NC(=O)C1=NC=CC=C1 CS11910 [1,0,0,0,1,0|2,0,0]=4 457 B9R1.6 NC(=S)C1=CC=CC=C1 MC20863 [1,0,0,0,1,0|1,1,0]=4 458 B9R1.6 O=C(Cl)C1=CC=CC=C1 MC40435 [1,0,0,0,1,0|1,0,0]=3 459 B9R1.6 O=C(Cl)C1=NC=CC=C1 CS11857 [1,0,0,0,1,0|2,0,0]=4 460 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [1,0,0,0,1,0|1,0,0]=3 461 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [1,0,0,0,1,0|2,0,0]=4 462 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [1,0,0,0,1,0|2,0,0]=4 463 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 MC41586 [1,0,0,0,1,0|2,0,0]=4