0 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br NO11242 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 CC1=C(Br)C=C2C=NC=CC2=C1 DY514017 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.369 CC1=C(N)C=C2N=CC=CC2=C1 DY690503 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.369 ClC1=C(Br)C=C2C=CC=NC2=C1 DY690111 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl NO15838 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.369 ClC1=NC2=CC=CC=C2N=C1Cl DY434068 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.369 FC1=C(Br)C=C2C=CC=NC2=C1 NO14503 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.369 FC1=CC2=CC=CC=C2C=C1Br DY764663 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.369 FC1=CC2=CC=CC=C2C=C1F DY764669 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.369 NC1=CC2=CC=CC=C2C=C1Cl DY763148 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.369 NC1=CC2=CC=CC=C2N=C1Br DY688191 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.369 O=C1OC2=CC=CC=C2C=C1O DY581331 [0,0,0,0,0,0|0,0,0]=0 12 B13R2.369 OC1=NC2=CC=CC=C2N=C1F DY783850 [0,0,0,0,0,0|3,0,0]=3 13 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 NO19153 [1,0,0,0,0,0|2,0,0]=3 14 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 NO22177 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 NO21394 [1,0,0,0,0,0|2,0,0]=3 16 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 NO22124 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 NO19085 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 NO19165 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 NO21398 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 DY690135 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 NO10941 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 NO21392 [1,0,0,0,0,0|2,0,0]=3 23 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 NO19018 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.24 CC1=CC2=CC=CC=C2C=N1 NO19703 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.24 CC1=CC2=CC=CC=C2N=C1 NO11336 [1,0,0,0,0,0|2,0,0]=3 26 B12R2.24 CC1=CC=C2C=CC=NC2=C1 DY20324 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.24 CC1=CC=C2C=NC=CC2=C1 NO10742 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.24 CC1=CC=C2N=CC=CC2=C1 NO10066 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 CC1=NC2=CC=CC=C2C=C1 NO11335 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.24 CC1=NC2=CC=CC=C2N=C1 DY569061 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.24 CC1=NC2=NC=CC=C2C=C1 NO18023 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 NO22238 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 NO22245 [1,0,0,0,0,0|2,0,0]=3 34 B12R2.24 ClC1=CC2=CC=CN=C2N=C1 DY769119 [1,0,0,0,0,0|3,0,0]=4 35 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 NO10811 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.24 ClC1=CC=C2C=NC=CC2=C1 NO11526 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 NO21425 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 NO21419 [1,0,0,0,0,0|2,0,0]=3 39 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 NO19965 [1,0,0,0,0,0|3,0,0]=4 40 B12R2.24 ClC1=NC2=CC=CN=C2C=C1 NO16799 [1,0,0,0,0,0|3,0,0]=4 41 B12R2.24 ClC1=NC2=NC=CC=C2C=C1 DY528207 [1,0,0,0,0,0|3,0,0]=4 42 B12R2.24 FC1=CC2=NC=CC=C2N=C1 DY769191 [1,0,0,0,0,0|3,0,0]=4 43 B12R2.24 FC1=CC=C2C=NC=CC2=C1 NO14751 [1,0,0,0,0,0|3,0,0]=4 44 B12R2.24 FC1=CC=C2N=CC=CC2=C1 NO12098 [1,0,0,0,0,0|3,0,0]=4 45 B12R2.24 IC1=CC=C2C=CC=NC2=C1 DY690830 [1,0,0,0,0,0|3,0,0]=4 46 B12R2.24 IC1=CC=C2N=CC=CC2=C1 DY30340 [1,0,0,0,0,0|3,0,0]=4 47 B12R2.24 NC1=CC2=CC=CC=C2C=N1 NO21593 [1,0,0,0,0,0|3,0,0]=4 48 B12R2.24 NC1=CC2=CC=CC=C2N=C1 NO11010 [1,0,0,0,0,0|2,0,0]=3 49 B12R2.24 NC1=CC2=CC=NC=C2N=C1 DY561939 [1,0,0,0,0,0|3,0,0]=4 50 B12R2.24 NC1=CC=C2C=CN=CC2=C1 NO18893 [1,0,0,0,0,0|3,0,0]=4 51 B12R2.24 NC1=CC=C2C=NC=CC2=C1 NO18181 [1,0,0,0,0,0|3,0,0]=4 52 B12R2.24 NC1=CC=C2N=CC=CC2=C1 DY692079 [1,0,0,0,0,0|3,0,0]=4 53 B12R2.24 NC1=CC=C2N=CC=CC2=C1 NO11016 [1,0,0,0,0,0|3,0,0]=4 54 B12R2.24 NC1=NC2=CC=CC=C2C=C1 NO11009 [1,0,0,0,0,0|2,0,0]=3 55 B12R2.24 NC1=NC2=NC=CC=C2C=C1 DY715460 [1,0,0,0,0,0|3,0,0]=4 56 B12R2.24 NC1=NC2=NC=CC=C2C=C1 NO20558 [1,0,0,0,0,0|3,0,0]=4 57 B12R2.24 O=C1C=C2C=CC=CC2=NN1 NO16596 [1,0,0,0,0,0|2,0,1]=4 58 B12R2.24 O=C1C=CC2=CC=CC=C2O1 DY507548 [1,0,0,0,0,0|0,0,0]=1 59 B12R2.24 O=C1C=CC2=CC=NC=C2N1 DY796323 [1,0,0,0,0,0|2,0,0]=3 60 B12R2.24 O=C1C=CC2=NC=CN=C2N1 NO12516 [1,0,0,0,0,0|3,0,0]=4 61 B12R2.24 O=C1C=NC2=C(C=NC=C2)N1 DY716732 [1,0,0,0,0,0|3,0,0]=4 62 B12R2.24 O=C1C=NC2=C(N=CC=C2)N1 NO17925 [1,0,0,0,0,0|3,0,0]=4 63 B12R2.24 O=C1CCC2=CC=CC=C2N1 NO11038 [1,0,0,0,0,0|1,0,2]=4 64 B12R2.24 O=C1COC2=C(C=CC=C2)N1 NO21568 [1,0,0,0,0,0|1,0,2]=4 65 B12R2.24 O=C1COC2=CC=CC=C2C1 DY681882 [1,0,0,0,0,0|0,0,3]=4 66 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 DY558855 [1,0,0,0,0,0|2,0,1]=4 67 B12R2.24 O=C1N=CC2=CC=CC=C2N1 DY782536 [1,0,0,0,0,0|2,0,0]=3 68 B12R2.24 OC1=CC2=C(C=CC=C2)OC1 DY673380 [1,0,0,0,0,0|0,0,1]=2 69 B12R2.24 OC1=CC2=CC=CC=C2C=C1 NO21708 [1,0,0,0,0,0|1,0,0]=2 70 B12R2.24 OC1=CC2=CC=CC=C2N=C1 NO19154 [1,0,0,0,0,0|1,0,0]=2 71 B12R2.24 OC1=CC=C2C=CC=NC2=C1 NO10982 [1,0,0,0,0,0|2,0,0]=3 72 B12R2.24 OC1=CC=C2N=CC=CC2=C1 DY561585 [1,0,0,0,0,0|2,0,0]=3 73 B12R2.24 OC1=CC=C2OC=CCC2=C1 DY755551 [1,0,0,0,0,0|2,0,1]=4 74 B12R2.24 OC1=NC2=CC=CC=C2N=C1 NO21605 [1,0,0,0,0,0|2,0,0]=3 75 B12R2.24 OC1=NC2=CC=CN=C2C=C1 DY442462 [1,0,0,0,0,0|2,0,1]=4 76 B12R2.24 SC1=NC2=CC=CC=C2C=C1 DY545253 [1,0,0,0,0,0|1,1,0]=3 77 B12R2.24 [O-][N+]1=CC2=CC=CC=C2C=C1 NO21529 [1,0,0,0,0,0|2,0,1]=4 78 B14R2.1128 CC1=CC2=CC=CC=C2N=C1CN DY586442 [0,1,0,0,0,0|3,0,0]=4 79 B14R2.1128 COC1=CC2=CC=CC=C2N=C1Cl DY688227 [0,1,0,0,0,0|2,0,0]=3 80 B14R2.1128 COC1=CC2=CC=CN=C2NC1=O DY790695 [0,1,0,0,0,0|2,0,0]=3 81 B14R2.1128 COC1=NC2=CC=CC=C2N=C1Cl NO21502 [0,1,0,0,0,0|3,0,0]=4 82 B14R2.1128 N#CC1=CC2=CC=CC=C2C=C1I DY764819 [0,1,0,0,0,0|3,0,0]=4 83 B14R2.1128 NCC1=CC2=CC=CC=C2N=C1Cl DY687181 [0,1,0,0,0,0|3,0,0]=4 84 B14R2.1128 NCC1=NC2=CC=CC=C2N=C1O DY783982 [0,1,0,0,0,0|3,0,0]=4 85 B14R2.1128 NNC1=NC2=CC=CC=C2N=C1O DY548175 [0,1,0,0,0,0|3,0,0]=4 86 B14R2.1128 O=C1OC2=C(C=CC=C2)N\C1=N/O DY772893 [0,1,0,0,0,0|1,0,0]=2 87 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1Cl NO11246 [0,1,0,0,0,0|2,0,1]=4 88 B14R2.1128 OCC1=CC2=CC=CC=C2C=C1F DY765647 [0,1,0,0,0,0|2,0,0]=3 89 B14R2.8188 CC1=C(Br)C(=O)C2=CC=CC=C2O1 DY755131 [0,1,0,0,0,0|2,0,0]=3 90 B14R2.8188 CC1=C(O)C2=CC=CC=C2OC1=O DY676664 [0,1,0,0,0,0|1,0,0]=2 91 B14R2.8188 CC1=NC2=CC=CC=C2C(Cl)=C1I DY689288 [0,1,0,0,0,0|3,0,0]=4 92 B14R2.8188 CC1=NC2=CC=CC=C2N(O)C1=O DY783910 [0,1,0,0,0,0|3,0,0]=4 93 B14R2.8188 CN1C(=O)C(O)=CC2=CC=CC=C21 DY688854 [0,1,0,0,0,0|1,0,0]=2 94 B14R2.8188 NC1=C(Cl)OC2=CC=CC=C2C1=O DY755119 [0,1,0,0,0,0|2,0,0]=3 95 B14R2.8188 O=C1C(O)OC2=C(C=CC=C2)N1O DY772905 [0,1,0,0,0,0|2,0,1]=4 96 B14R2.8239 CC1=CC2=CC(Br)=CC=C2N=C1N DY690075 [0,1,0,0,0,0|3,0,0]=4 97 B14R2.8239 CC1=CC=C2N=C(C)C(=O)NC2=C1 DY783820 [0,1,0,0,0,0|3,0,0]=4 98 B14R2.8239 CC1=CC=C2N=C(N)C(Br)=CC2=C1 DY688733 [0,1,0,0,0,0|3,0,0]=4 99 B14R2.8239 OC1=CC=C2C=C(Br)C(O)=CC2=C1 DY103324 [0,1,0,0,0,0|2,0,0]=3 100 B14R2.8239 OC1=NC2=CC=C(Cl)C=C2N=C1O NO10664 [0,1,0,0,0,0|2,0,1]=4 101 B14R2.28472 CC1=C2C=C(O)C(=O)NC2=CC=C1 DY688860 [0,1,0,0,0,0|1,0,0]=2 102 B14R2.28472 ClC1=CC2=CC=CC(Cl)=C2N=C1Cl DY687561 [0,1,0,0,0,0|3,0,0]=4 103 B14R2.28472 ClC1=NC2=C(Br)C=CC=C2C=C1Br DY688480 [0,1,0,0,0,0|3,0,0]=4 104 B14R2.28472 O=C1NC2=CC=CC(O)=C2NC1=O DY783292 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O DY20809 [0,0,1,0,0,0|2,0,1]=4 106 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O NO18748 [0,0,1,0,0,0|1,0,2]=4 107 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O NO15443 [0,0,1,0,0,0|1,0,2]=4 108 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O NO21178 [0,0,1,0,0,0|1,0,2]=4 109 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 DY624949 [0,0,1,0,0,0|1,0,2]=4 110 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 NO21095 [0,0,1,0,0,0|0,0,2]=3 111 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 NO15800 [0,0,1,0,0,0|0,0,2]=3 112 B12R1.43 [15NH2]C(CC1=CC=CC=C1)C(=O)O DY454731 [0,0,1,0,0,0|1,0,2]=4 113 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 DY800619 [0,0,0,0,1,0|2,0,0]=3 114 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 NO22136 [0,0,0,0,1,0|2,1,0]=4 115 B12R2.18 CC1=CC2=CC=CC=C2N1C NO10010 [0,0,0,0,1,0|3,0,0]=4 116 B12R2.18 CN1C(N)=CC2=CC=CC=C21 DY106654 [0,0,0,0,1,0|3,0,0]=4 117 B12R2.18 O=C1C2=CC=CC=C2CC1Br DY772371 [0,0,0,0,1,0|1,0,2]=4 118 B12R2.18 O=C1NC2=CC=CC=C2C1=O NO11506 [0,0,0,0,1,0|1,0,1]=3 119 B12R2.18 O=C1SC2=C(C=CC=C2)C1=O DY556599 [0,0,0,0,1,0|0,1,1]=3 120 B11R1.40 CCC(=O)OC1=CC=CC=C1 DY584283 [1,0,1,0,0,0|0,0,2]=4 121 B11R1.40 CNC(=O)OC1=CC=CC=C1 DY584385 [1,0,1,0,0,0|1,0,1]=4 122 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 NO21725 [1,0,1,0,0,0|1,0,0]=3 123 B11R1.91 O=C(O)C#CC1=CC=CC=C1 NO10957 [1,0,1,0,0,0|0,0,2]=4 124 B11R1.91 O=C(O)CCC1=CC=CC=C1 DY556977 [1,0,1,0,0,0|0,0,2]=4 125 B11R1.91 O=C(O)CNc1ccccc1 DY439073 [1,0,1,0,0,0|1,0,1]=4 126 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 DY20186 [1,0,1,0,0,0|1,0,0]=3 127 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 DY20799 [1,0,1,0,0,0|1,0,0]=3 128 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 DY566061 [1,0,1,0,0,0|1,0,0]=3 129 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 NO21203 [1,0,1,0,0,0|2,0,0]=4 130 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 NO21083 [1,0,1,0,0,0|1,0,1]=4 131 B11R1.86 NC1=C(CC(=O)O)C=CC=C1 NO20995 [1,0,1,0,0,0|1,0,1]=4 132 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 NO20809 [1,0,1,0,0,0|1,0,1]=4 133 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 NO20826 [1,0,1,0,0,0|1,0,1]=4 134 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 NO20849 [1,0,1,0,0,0|1,0,1]=4 135 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 NO20941 [1,0,1,0,0,0|0,0,1]=3 136 B11R2.20 C1=CC=C2C=NC=CC2=C1 NO19770 [2,0,0,0,0,0|2,0,0]=4 137 B11R2.20 C1=CC=C2N=CC=CC2=C1 NO11929 [2,0,0,0,0,0|1,0,0]=3 138 B11R2.20 C1=CC=C2N=CC=NC2=C1 NO11932 [2,0,0,0,0,0|2,0,0]=4 139 B11R2.20 C1=CC=C2N=CN=CC2=C1 NO11926 [2,0,0,0,0,0|2,0,0]=4 140 B11R2.20 C1=CC=C2N=NC=CC2=C1 NO11145 [2,0,0,0,0,0|2,0,0]=4 141 B11R2.20 C1=CN=C2C=CC=NC2=C1 NO20548 [2,0,0,0,0,0|2,0,0]=4 142 B13R1.133 C\C(=C/C1=CC=C(F)C=C1)C(=O)O DY541833 [0,1,1,0,0,0|1,0,0]=3 143 B13R1.133 O=C(O)C(=O)CC1=CC=C(Cl)C=C1 DY551097 [0,1,1,0,0,0|0,0,2]=4 144 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 NO21578 [0,1,1,0,0,0|0,0,2]=4 145 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 NO11127 [0,1,1,0,0,0|0,0,2]=4 146 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 NO14552 [0,1,1,0,0,0|0,0,2]=4 147 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O NO13600 [0,1,1,0,0,0|0,0,2]=4 148 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O DY528723 [0,1,1,0,0,0|0,0,2]=4 149 B13R1.202 O=C(O)C(=O)NC1=C(Cl)C=CC=C1 DY605327 [0,1,1,0,0,0|1,0,1]=4 150 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(=O)[O-] DY790101 [0,1,1,0,0,0|1,0,1]=4 151 B13R1.418 O=C(O)[C@H](CO)CC1=CC=CC=C1 DY525087 [0,1,1,0,0,0|0,0,2]=4 152 B13R1.91 COC1=C(\C=C(/C)C=O)C=CC=C1 DY788673 [0,1,1,0,0,0|1,0,0]=3 153 B13R2.32 CC1=C(Cl)C2=CC=CC=C2N=C1 DY689294 [1,1,0,0,0,0|2,0,0]=4 154 B13R2.32 CC1=C(N)C2=CC=CC=C2C=C1 DY447699 [1,1,0,0,0,0|2,0,0]=4 155 B13R2.32 CC1=C(N)C=CC2=CC=CC=C21 DY768787 [1,1,0,0,0,0|2,0,0]=4 156 B13R2.32 CC1=C(O)C2=CC=CC=C2C=C1 NO11396 [1,1,0,0,0,0|2,0,0]=4 157 B13R2.32 CN1C(=O)N=CC2=CC=CC=C21 DY781468 [1,1,0,0,0,0|2,0,0]=4 158 B13R2.32 ClC1=C(Br)C2=CC=CC=C2C=C1 DY764063 [1,1,0,0,0,0|2,0,0]=4 159 B13R2.32 FC1=C(I)C2=CC=CC=C2N=C1 DY688830 [1,1,0,0,0,0|2,0,0]=4 160 B13R2.32 NC1=C(Br)C=NC2=CC=CC=C21 NO18266 [1,1,0,0,0,0|2,0,0]=4 161 B13R2.32 NC1=C(I)C=CC2=CC=CC=C21 DY768955 [1,1,0,0,0,0|2,0,0]=4 162 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 NO20594 [1,1,0,0,0,0|1,0,0]=3 163 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 NO11263 [1,1,0,0,0,0|1,0,0]=3 164 B13R2.32 OC1=CC=C2C=CN=CC2=C1Br DY443700 [1,1,0,0,0,0|2,0,0]=4 165 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 DY560661 [1,1,0,0,0,0|2,0,0]=4 166 B13R2.57 Br[Mg]c1ccc2ccccc2c1 DY121324 [1,1,0,0,0,0|2,0,0]=4 167 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 NO18943 [1,1,0,0,0,0|2,0,0]=4 168 B13R2.57 COC1=CC2=CC=CC=C2C=C1 DY10259 [1,1,0,0,0,0|1,0,0]=3 169 B13R2.57 COC1=CC2=CC=CC=C2N=C1 NO13082 [1,1,0,0,0,0|1,0,0]=3 170 B13R2.57 COC1=CC2=NC=CC=C2N=C1 DY515205 [1,1,0,0,0,0|2,0,0]=4 171 B13R2.57 COC1=CC=C2C=NC=CC2=C1 NO18348 [1,1,0,0,0,0|2,0,0]=4 172 B13R2.57 COC1=CC=C2N=CC=CC2=C1 NO22118 [1,1,0,0,0,0|2,0,0]=4 173 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 NO10061 [1,1,0,0,0,0|2,0,0]=4 174 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 NO20903 [1,1,0,0,0,0|2,0,0]=4 175 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 NO20395 [1,1,0,0,0,0|2,0,0]=4 176 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 NO18374 [1,1,0,0,0,0|2,0,0]=4 177 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 NO13970 [1,1,0,0,0,0|2,0,0]=4 178 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 NO10059 [1,1,0,0,0,0|1,0,1]=4 179 B13R2.57 O=CC1=CC=C2C=CN=CC2=C1 DY576207 [1,1,0,0,0,0|2,0,0]=4 180 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 NO10500 [1,1,0,0,0,0|2,0,0]=4 181 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 NO13773 [1,1,0,0,0,0|1,0,0]=3 182 B13R2.57 OCC1=CC=C2C=CC=NC2=C1 DY795357 [1,1,0,0,0,0|2,0,0]=4 183 B13R2.57 OCC1=CC=C2C=NC=CC2=C1 DY535293 [1,1,0,0,0,0|2,0,0]=4 184 B13R2.57 [C-]#[N+]c1ccc2ccccc2c1 DY10341 [1,1,0,0,0,0|2,0,0]=4 185 B13R2.155 BrC1=CC=C2C=CC(Br)=CC2=C1 NO19954 [1,1,0,0,0,0|2,0,0]=4 186 B13R2.155 BrC1=CC=C2N=CC(I)=CC2=C1 NO18141 [1,1,0,0,0,0|2,0,0]=4 187 B13R2.155 CC1=CC2=CC(F)=CC=C2N=C1 DY690333 [1,1,0,0,0,0|2,0,0]=4 188 B13R2.155 CC1=CC=C2C=CC(=O)NC2=C1 DY456478 [1,1,0,0,0,0|1,0,0]=3 189 B13R2.155 CC1=CC=C2C=CC(Br)=CC2=C1 NO16063 [1,1,0,0,0,0|2,0,0]=4 190 B13R2.155 CC1=CC=C2C=CC(C)=CC2=C1 DY561699 [1,1,0,0,0,0|2,0,0]=4 191 B13R2.155 CC1=CC=C2C=CC(C)=NC2=C1 DY580671 [1,1,0,0,0,0|2,0,0]=4 192 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 NO11293 [1,1,0,0,0,0|2,0,0]=4 193 B13R2.155 ClC1=CC2=CC(Br)=CC=C2N=C1 DY690063 [1,1,0,0,0,0|2,0,0]=4 194 B13R2.155 ClC1=CC2=CC(I)=CC=C2C=C1 DY764891 [1,1,0,0,0,0|2,0,0]=4 195 B13R2.155 FC1=CC=C2N=CC(Cl)=CC2=C1 DY688781 [1,1,0,0,0,0|2,0,0]=4 196 B13R2.155 NC1=CC=C2C=CC(=O)N=C2N1 DY425450 [1,1,0,0,0,0|2,0,0]=4 197 B13R2.155 NC1=NC2=CC(Br)=CC=C2C=C1 NO17134 [1,1,0,0,0,0|2,0,0]=4 198 B13R2.155 O=C1C=CC2=CC=C(Br)C=C2N1 NO14788 [1,1,0,0,0,0|1,0,0]=3 199 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 NO16303 [1,1,0,0,0,0|0,0,0]=2 200 B13R2.155 O=C1C=CC2=CC=C(O)OC2=C1 DY771363 [1,1,0,0,0,0|0,0,1]=3 201 B13R2.155 O=C1C=NC2=CC=C(Cl)C=C2N1 DY783280 [1,1,0,0,0,0|2,0,0]=4 202 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=C1 NO18626 [1,1,0,0,0,0|1,0,0]=3 203 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=N1 NO14588 [1,1,0,0,0,0|2,0,0]=4 204 B13R2.155 OC1=CC2=CC(Cl)=CC=C2C=C1 DY765677 [1,1,0,0,0,0|1,0,0]=3 205 B13R2.155 OC1=CC2=CC(F)=CC=C2C=N1 NO16284 [1,1,0,0,0,0|2,0,0]=4 206 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=C1 DY551883 [1,1,0,0,0,0|2,0,0]=4 207 B13R2.155 OC1=CC=C2C=CC(O)=NC2=C1 NO18652 [1,1,0,0,0,0|1,0,1]=4 208 B13R2.155 OC1=CC=C2N=CC(Br)=CC2=C1 NO16651 [1,1,0,0,0,0|2,0,0]=4 209 B13R2.162 CC1=CC=C2C=CC=C(Cl)C2=C1 DY763841 [1,1,0,0,0,0|2,0,0]=4 210 B13R2.162 CC1=NC2=C(Br)C=CC=C2C=C1 DY563169 [1,1,0,0,0,0|2,0,0]=4 211 B13R2.162 CC1=NC2=C(N)C=CC=C2C=C1 NO10006 [1,1,0,0,0,0|2,0,0]=4 212 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 NO16057 [1,1,0,0,0,0|2,0,0]=4 213 B13R2.162 ClC1=CC=C2C=CC=C(I)C2=C1 DY764873 [1,1,0,0,0,0|2,0,0]=4 214 B13R2.162 NC1=C2C=C(O)C=CC2=CC=C1 DY509420 [1,1,0,0,0,0|1,0,0]=3 215 B13R2.162 NC1=C2N=C(Br)C=CC2=CC=C1 DY688197 [1,1,0,0,0,0|2,0,0]=4 216 B13R2.162 NC1=CC2=C(Cl)C=CC=C2N=C1 DY689751 [1,1,0,0,0,0|2,0,0]=4 217 B13R2.162 NC1=NC2=C(Br)C=CC=C2C=C1 DY442437 [1,1,0,0,0,0|2,0,0]=4 218 B13R2.162 O=C1C=CC2=C(O1)C(Br)=CC=C2 NO12344 [1,1,0,0,0,0|0,0,0]=2 219 B13R2.162 OC1=CC=CC2=C1C=C(Br)C=N2 NO15353 [1,1,0,0,0,0|2,0,0]=4 220 B13R2.162 OC1=CC=CC2=C1C=C(Cl)C=N2 DY688800 [1,1,0,0,0,0|2,0,0]=4 221 B13R2.162 OC1=NC2=C(F)C=CC=C2N=C1 DY783868 [1,1,0,0,0,0|2,0,0]=4 222 B13R2.328 BrC1=CC(I)=CC2=CC=CC=C12 DY431929 [1,1,0,0,0,0|2,0,0]=4 223 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 DY440080 [1,1,0,0,0,0|2,0,0]=4 224 B13R2.328 CC1=CC(N)=NC2=CC=CC=C12 DY689517 [1,1,0,0,0,0|2,0,0]=4 225 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 NO10067 [1,1,0,0,0,0|1,0,1]=4 226 B13R2.328 CC1=CC2=CC=CC=C2C(Br)=C1 NO17170 [1,1,0,0,0,0|2,0,0]=4 227 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 NO22654 [1,1,0,0,0,0|2,0,0]=4 228 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 DY562977 [1,1,0,0,0,0|2,0,0]=4 229 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 NO10935 [1,1,0,0,0,0|2,0,0]=4 230 B13R2.328 NC1=CC(=O)NC2=CC=CC=C12 NO22591 [1,1,0,0,0,0|1,0,0]=3 231 B13R2.328 NC1=CC(Cl)=NC2=CC=CC=C12 NO22546 [1,1,0,0,0,0|2,0,0]=4 232 B13R2.328 NC1=CC(O)=CC2=CC=CC=C12 DY768431 [1,1,0,0,0,0|1,0,0]=3 233 B13R2.328 NC1=CC2=CC=CC=C2C(Br)=C1 NO17133 [1,1,0,0,0,0|2,0,0]=4 234 B13R2.328 NC1=CC2=CC=CC=C2C(O)=C1 DY579147 [1,1,0,0,0,0|2,0,0]=4 235 B13R2.328 NC1=NC2=CC=CC=C2C(Cl)=C1 NO21246 [1,1,0,0,0,0|2,0,0]=4 236 B13R2.328 O=C1C=C(Cl)NC2=CC=CC=C12 DY688323 [1,1,0,0,0,0|2,0,0]=4 237 B13R2.328 O=C1C=C(O)C2=NC=CC=C2N1 NO17474 [1,1,0,0,0,0|2,0,0]=4 238 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 DY33305 [1,1,0,0,0,0|2,0,0]=4 239 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 DY568083 [1,1,0,0,0,0|2,0,0]=4 240 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 NO10996 [1,1,0,0,0,0|2,0,0]=4 241 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 NO11507 [1,1,0,0,0,0|2,0,0]=4 242 B13R2.328 OC1=CC(Cl)=NC2=CC=CC=C12 NO21445 [1,1,0,0,0,0|2,0,0]=4 243 B13R2.328 [O-]C1=CC(O)=NC2=CC=CC=C12 DY692121 [1,1,0,0,0,0|1,0,1]=4 244 B13R2.3683 CC1=CC2=CC=C(F)C=C2N=C1 DY690782 [1,1,0,0,0,0|2,0,0]=4 245 B13R2.3683 CC1=CC=C2C=C(O)C=CC2=C1 NO10734 [1,1,0,0,0,0|1,0,0]=3 246 B13R2.3683 CC1=CC=C2N=C(N)C=CC2=C1 DY690497 [1,1,0,0,0,0|2,0,0]=4 247 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 NO10739 [1,1,0,0,0,0|0,0,0]=2 248 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 NO11285 [1,1,0,0,0,0|2,0,0]=4 249 B13R2.3683 ClC1=CC=C2C=C(Cl)C=CC2=C1 DY769083 [1,1,0,0,0,0|2,0,0]=4 250 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=C1 NO21349 [1,1,0,0,0,0|2,0,0]=4 251 B13R2.3683 FC1=CC=C2C=C(Br)C=NC2=C1 DY585364 [1,1,0,0,0,0|2,0,0]=4 252 B13R2.3683 NC1=CC2=CC=C(Br)C=C2C=C1 DY568653 [1,1,0,0,0,0|2,0,0]=4 253 B13R2.3683 NC1=CC2=CC=C(Br)C=C2N=C1 DY515559 [1,1,0,0,0,0|2,0,0]=4 254 B13R2.3683 NC1=CC2=CC=C(I)C=C2C=C1 DY764897 [1,1,0,0,0,0|2,0,0]=4 255 B13R2.3683 NC1=CC=C2N=C(Cl)C=CC2=C1 NO16608 [1,1,0,0,0,0|2,0,0]=4 256 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2N1 NO18810 [1,1,0,0,0,0|1,0,0]=3 257 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2O1 NO12500 [1,1,0,0,0,0|0,0,0]=2 258 B13R2.3683 O=C1C=CC2=CC(Cl)=NC=C2N1 DY799107 [1,1,0,0,0,0|2,0,0]=4 259 B13R2.3683 O=C1C=NC2=CC(Br)=CC=C2N1 NO13132 [1,1,0,0,0,0|2,0,0]=4 260 B13R2.3683 O=C1C=NC2=CC(Cl)=CC=C2N1 NO13992 [1,1,0,0,0,0|2,0,0]=4 261 B13R2.3683 O=C1C=NC2=CC(O)=CC=C2N1 DY783760 [1,1,0,0,0,0|2,0,0]=4 262 B13R2.3683 O=C1CCC2=CC(Cl)=CC=C2O1 DY679485 [1,1,0,0,0,0|0,0,2]=4 263 B13R2.3683 O=C1N=CC2=CC(Cl)=CC=C2N1 DY585518 [1,1,0,0,0,0|2,0,0]=4 264 B13R2.3683 OC1=CC2=CC=C(Br)C=C2C=C1 NO13742 [1,1,0,0,0,0|1,0,0]=3 265 B13R2.3683 OC1=CC2=CC=C(Cl)C=C2C=C1 DY441106 [1,1,0,0,0,0|1,0,0]=3 266 B13R2.3683 OC1=CC2=CC=C(F)C=C2C=C1 DY441035 [1,1,0,0,0,0|1,0,0]=3 267 B13R2.3683 OC1=CC=C2N=C(Cl)C=CC2=C1 DY561477 [1,1,0,0,0,0|2,0,0]=4 268 B13R2.3683 OC1=CC=C2N=C(O)C=CC2=C1 NO10985 [1,1,0,0,0,0|1,0,1]=4 269 B13R2.3683 OC1=NC2=CC=C(Cl)C=C2C=C1 DY533403 [1,1,0,0,0,0|1,0,1]=4 270 B13R2.3683 SC1=CC2=CC=C(Cl)C=C2C=C1 DY768925 [1,1,0,0,0,0|1,1,0]=4 271 B13R2.3683 SC1=CC=C2C=C(S)C=CC2=C1 DY768913 [1,1,0,0,0,0|1,1,0]=4 272 B13R2.5179 CC1=C2C=CC(N)=CC2=CC=C1 DY768733 [1,1,0,0,0,0|2,0,0]=4 273 B13R2.5179 CC1=C2N=CC(Br)=CC2=CC=C1 DY566175 [1,1,0,0,0,0|2,0,0]=4 274 B13R2.5179 CC1=C2N=CC(O)=NC2=CC=C1 DY783928 [1,1,0,0,0,0|2,0,0]=4 275 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 DY443731 [1,1,0,0,0,0|2,0,0]=4 276 B13R2.5179 CC1=CC=CC2=CC(Cl)=CC=C12 DY763811 [1,1,0,0,0,0|2,0,0]=4 277 B13R2.5179 CC1=CC=NC2=CC(O)=CC=C12 DY689523 [1,1,0,0,0,0|2,0,0]=4 278 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 DY41751 [1,1,0,0,0,0|2,0,0]=4 279 B13R2.5179 FC1=C2N=CC(Br)=CC2=CC=C1 DY429330 [1,1,0,0,0,0|2,0,0]=4 280 B13R2.5179 FC1=CC=CC2=CC(I)=CC=C12 DY764903 [1,1,0,0,0,0|2,0,0]=4 281 B13R2.5179 NC1=C2N=CC(F)=CC2=CC=C1 DY688842 [1,1,0,0,0,0|2,0,0]=4 282 B13R2.5179 NC1=CC2=CC=CC(Br)=C2C=C1 DY763277 [1,1,0,0,0,0|2,0,0]=4 283 B13R2.5179 NC1=NC2=CC=CC(Cl)=C2C=C1 DY566961 [1,1,0,0,0,0|2,0,0]=4 284 B13R2.5179 O=C1C=C2C=CC=C(Cl)C2=CN1 DY557793 [1,1,0,0,0,0|2,0,0]=4 285 B13R2.5179 O=C1C=CC2=C(Cl)C=CC=C2O1 DY677772 [1,1,0,0,0,0|0,0,0]=2 286 B13R2.5179 O=C1C=CC2=C(O)C=CC=C2N1 DY548157 [1,1,0,0,0,0|1,0,0]=3 287 B13R2.5179 OC1=C2N=CC(Cl)=CC2=CC=C1 DY688806 [1,1,0,0,0,0|2,0,0]=4 288 B13R2.5179 OC1=CC=C2C(F)=CC=CC2=C1 DY765533 [1,1,0,0,0,0|1,0,0]=3 289 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 NO15075 [1,1,0,0,0,0|1,0,0]=3 290 B13R2.5179 OC1=CC=CC2=CC(Br)=CC=C12 NO16736 [1,1,0,0,0,0|2,0,0]=4 291 B13R2.45 CC1=C(C=O)OC2=C1C=CC=C2 DY510753 [0,1,0,0,1,0|1,0,0]=3 292 B13R2.45 Cc1c(CO)oc2ccccc12 DY560265 [0,1,0,0,1,0|1,0,1]=4 293 B13R2.45 N#CC1=C(N)C2=C(C=CC=C2)O1 DY563865 [0,1,0,0,1,0|2,0,0]=4 294 B13R2.45 O=CC1=C(Br)C2=C(C=CC=C2)S1 DY449848 [0,1,0,0,1,0|1,1,0]=4 295 B13R2.45 O=CC1=C(Br)C2=CC=CC=C2N1 DY578985 [0,1,0,0,1,0|2,0,0]=4 296 B13R2.135 CC1=C(C=O)C2=CC=CC=C2N1 NO10068 [0,1,0,0,1,0|2,0,0]=4 297 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 NO10988 [0,1,0,0,1,0|1,0,1]=4 298 B13R2.3028 CN1C(=O)OC2=C1C=C(N)C=C2 DY606357 [0,1,0,0,1,0|2,0,0]=4 299 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O NO22039 [0,1,0,0,1,0|1,0,1]=4 300 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O NO10615 [0,1,0,0,1,0|1,0,1]=4 301 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 DY538653 [0,1,0,0,1,0|1,0,1]=4 302 B13R2.3085 NN1C(=O)C2=CC=CC=C2C1=O DY510711 [0,1,0,0,1,0|2,0,0]=4 303 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1Cl NO10531 [0,1,0,0,1,0|2,0,0]=4 304 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O NO11782 [0,1,0,0,1,0|1,0,0]=3 305 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O NO13925 [0,1,0,0,1,0|1,0,1]=4 306 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O NO20590 [0,1,0,0,1,0|1,0,1]=4 307 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O NO10646 [0,1,0,0,1,0|1,0,1]=4 308 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O NO13924 [0,1,0,0,1,0|1,0,1]=4 309 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O NO22789 [0,1,0,0,1,0|1,0,1]=4 310 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O NO22839 [0,1,0,0,1,0|1,0,1]=4 311 B13R2.4856 O=C1NC2=CC=CC(I)=C2C1=O DY538959 [0,1,0,0,1,0|1,0,1]=4 312 B13R2.5190 NC1=CC=C2C(=O)C(=O)NC2=C1 DY630509 [0,1,0,0,1,0|1,0,1]=4 313 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O NO10616 [0,1,0,0,1,0|1,0,1]=4 314 B13R2.5190 O=C1NC2=CC(F)=CC=C2C1=O NO10704 [0,1,0,0,1,0|1,0,1]=4 315 B15R2.117 COC1=CC2=CC=CC=C2C=C1CN DY764189 [0,2,0,0,0,0|2,0,0]=4 316 B15R2.274 N#CC1=C(Cl)C2=CC=CC=C2OC1=O DY755863 [0,2,0,0,0,0|1,0,0]=3 317 B15R2.274 O=CC1=C(O)C2=CC=CC=C2OC1=O DY676658 [0,2,0,0,0,0|0,0,1]=3 318 B15R2.984 CC(=O)C1=CC2=CC=CC=C2NC1=O DY557067 [0,2,0,0,0,0|1,0,1]=4 319 B15R2.984 NC(=O)C1=CC2=CC=CC=C2C=C1O DY794769 [0,2,0,0,0,0|1,0,0]=3 320 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O NO16286 [0,2,0,0,0,0|1,0,0]=3 321 B15R2.984 O=C(O)C1=NC2=CC=CC=C2NC1=O DY511125 [0,2,0,0,0,0|2,0,0]=4 322 B15R2.984 O=C([O-])C1=CC2=CC=CC=C2C=C1O DY768149 [0,2,0,0,0,0|1,0,0]=3 323 B15R2.1754 NCC1=CC2=CC=C(F)C=C2NC1=O DY431500 [0,2,0,0,0,0|2,0,0]=4 324 B15R2.1754 O=CC1=C(O)C=C2OC(=O)C=CC2=C1 DY755971 [0,2,0,0,0,0|2,0,0]=4 325 B15R2.1754 O=CC1=CC2=CC=C(O)C=C2OC1=O DY545979 [0,2,0,0,0,0|0,0,1]=3 326 B15R2.1824 CC1=CC=C2NC(=O)C(CO)=CC2=C1 DY688571 [0,2,0,0,0,0|1,0,0]=3 327 B15R2.21243 CN1C(=O)C(CN)=CC2=CC=CC=C21 DY533181 [0,2,0,0,0,0|2,0,0]=4 328 B15R2.1007 O=C1NC2=CC=C(Br)C=C2C(O)=C1Br DY688468 [0,2,0,0,0,0|2,0,0]=4 329 B15R2.9032 CN1C(=O)C(Cl)=C(O)C2=CC=CC=C21 DY688775 [0,2,0,0,0,0|2,0,0]=4 330 B15R2.63893 CC1=C(C)C2=CC=C(O)C=C2OC1=O DY680853 [0,2,0,0,0,0|1,0,0]=3 331 B15R2.63893 CC1=C(Cl)C(=O)OC2=CC(O)=CC=C21 NO11268 [0,2,0,0,0,0|1,0,0]=3 332 B15R2.63893 CC1=CC2=CC(N)=CC=C2N(C)C1=O DY586082 [0,2,0,0,0,0|2,0,0]=4 333 B15R2.63893 CC1=CC=C2C(=O)C(C)=C(C)OC2=C1 DY754831 [0,2,0,0,0,0|2,0,0]=4 334 B15R2.13981 O=C1NC2=NC=C(F)C(Cl)=C2C=C1O DY508442 [0,2,0,0,0,0|2,0,0]=4 335 B15R2.21336 COC1=CC=C2C=C(Br)C(=O)OC2=C1 DY674685 [0,2,0,0,0,0|1,0,0]=3 336 B15R2.59733 O=C1NC2=C(Cl)C=C(Cl)C=C2C=C1Cl DY688462 [0,2,0,0,0,0|2,0,0]=4 337 B15R2.63633 O=C1NC2=C(Cl)C=CC(Cl)=C2C=C1Br DY688703 [0,2,0,0,0,0|2,0,0]=4 338 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 NO21212 [0,0,1,1,0,0|2,0,0]=4 339 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 NO12977 [0,0,1,1,0,0|2,0,0]=4 340 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 NO21478 [0,0,1,1,0,0|0,0,0]=2 341 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 NO21476 [0,0,1,1,0,0|0,1,0]=3 342 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 NO14473 [0,0,1,1,0,0|2,0,0]=4 343 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 DY441179 [0,0,1,1,0,0|1,1,0]=4 344 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 NO22268 [0,0,1,1,0,0|1,0,0]=3 345 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 DY441174 [0,0,1,1,0,0|1,1,0]=4 346 B13R2.435 O=C(O)C1=CC2=CC=NC=C2N1 NO18576 [0,0,1,1,0,0|2,0,0]=4 347 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 NO15306 [0,0,1,1,0,0|2,0,0]=4 348 B13R2.435 O=C(O)C1=CC2=NC=CC=C2O1 DY509336 [0,0,1,1,0,0|1,0,0]=3 349 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 NO18408 [0,0,1,1,0,0|2,0,0]=4 350 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 DY750679 [0,0,1,1,0,0|2,0,0]=4 351 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 NO18211 [0,0,1,1,0,0|2,0,0]=4 352 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 DY442734 [0,0,1,1,0,0|1,0,0]=3 353 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 DY611900 [0,0,1,1,0,0|1,1,0]=4 354 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 NO10508 [0,0,1,1,0,0|1,1,0]=4 355 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 NO19083 [0,0,1,0,1,0|1,0,0]=3 356 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 NO14544 [0,0,1,0,1,0|1,0,1]=4 357 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 NO10890 [0,0,1,0,1,0|1,0,1]=4 358 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 NO14083 [0,0,1,0,1,0|1,0,1]=4 359 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 NO11192 [0,0,1,0,1,0|1,0,1]=4 360 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 NO15279 [0,0,1,0,1,0|0,0,1]=3 361 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 NO10862 [0,0,1,0,1,0|0,0,1]=3 362 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 NO10861 [0,0,1,0,1,0|0,0,1]=3 363 B11R1.222 O=C(NO)C1=C(O)C=CC=C1 NO11942 [0,0,1,0,1,0|2,0,0]=4 364 B11R2.1 BrC1=CC=C2C=CC=CN12 DY674727 [1,0,0,0,1,0|2,0,0]=4 365 B11R2.1 BrC1=COC2=C1C=CC=C2 NO20626 [1,0,0,0,1,0|1,0,0]=3 366 B11R2.1 BrC1=COC2=CC=CN=C12 DY580287 [1,0,0,0,1,0|2,0,0]=4 367 B11R2.1 CC1=CCC2=CC=CC=C12 DY106180 [1,0,0,0,1,0|1,0,1]=4 368 B11R2.1 CC1=CNC2=CC=CC=C12 NO11030 [1,0,0,0,1,0|2,0,0]=4 369 B11R2.1 CC1=NOC2=C1C=CC=C2 NO22352 [1,0,0,0,1,0|2,0,0]=4 370 B11R2.1 CN1C=CC2=CC=CC=C21 NO11026 [1,0,0,0,1,0|2,0,0]=4 371 B11R2.1 ClC1=NOC2=C1C=CC=C2 NO19970 [1,0,0,0,1,0|2,0,0]=4 372 B11R2.1 IC1=CSC2=C1C=CC=C2 NO22329 [1,0,0,0,1,0|1,1,0]=4 373 B11R2.1 NC1=CNC2=CC=CC=C12 DY585665 [1,0,0,0,1,0|2,0,0]=4 374 B11R2.1 NC1=CNC2=CC=CC=C12 DY585666 [1,0,0,0,1,0|2,0,0]=4 375 B11R2.1 NC1=CSC2=C1C=CC=C2 NO13998 [1,0,0,0,1,0|1,1,0]=4 376 B11R2.1 NC1=NOC2=C1C=CC=C2 NO20240 [1,0,0,0,1,0|2,0,0]=4 377 B11R2.1 NN1C=CC2=CC=CC=C21 NO19942 [1,0,0,0,1,0|2,0,0]=4 378 B11R2.1 O=C1CCC2=CC=CC=C12 NO18668 [1,0,0,0,1,0|0,0,2]=4 379 B11R2.1 O=C1CSC2=C1C=CC=C2 NO20606 [1,0,0,0,1,0|1,0,1]=4 380 B11R2.1 O=C1N=NC2=CC=CC=C12 DY762524 [1,0,0,0,1,0|2,0,0]=4 381 B11R2.1 O=C1NCC2=CC=CC=C12 NO11515 [1,0,0,0,1,0|1,0,1]=4 382 B11R2.1 O=C1NSC2=C1C=CC=C2 NO14057 [1,0,0,0,1,0|2,0,0]=4 383 B11R2.1 O=C1OCC2=CC=CC=C12 NO11853 [1,0,0,0,1,0|1,0,1]=4 384 B11R2.1 O=S1C=CC2=C1C=CC=N2 DY502185 [1,0,0,0,1,0|2,0,0]=4 385 B11R2.1 OC1=NOC2=NC=CC=C12 DY683137 [1,0,0,0,1,0|2,0,0]=4 386 B11R2.10 BrC1=CC2=CC=CC=C2C1 NO21490 [1,0,0,0,1,0|1,0,1]=4 387 B11R2.10 CC1=CC2=C(C=CN=C2)O1 DY673188 [1,0,0,0,1,0|2,0,0]=4 388 B11R2.10 CC1=CC2=CC=CC=C2N1 NO18563 [1,0,0,0,1,0|2,0,0]=4 389 B11R2.10 O=C1CC2=C(C=CC=C2)O1 DY20944 [1,0,0,0,1,0|0,0,1]=3 390 B11R2.10 O=C1CC2=CC=CC=C2C1 NO16080 [1,0,0,0,1,0|1,0,1]=4 391 B11R2.10 O=C1CC2=CC=CC=C2N1 NO15184 [1,0,0,0,1,0|1,0,1]=4 392 B11R2.10 O=C1NC2=C(C=CC=C2)O1 NO15190 [1,0,0,0,1,0|1,0,0]=3 393 B11R2.10 O=C1NC2=NC=CC=C2O1 NO18902 [1,0,0,0,1,0|2,0,0]=4 394 B11R2.10 O=C1OC2=C(C=CC=C2)O1 NO10973 [1,0,0,0,1,0|1,0,0]=3 395 B11R2.10 OC1=CC2=C(C=CC=C2)O1 DY751579 [1,0,0,0,1,0|0,0,0]=2 396 B11R2.10 OC1=CC2=CC=CC=C2N1 DY726793 [1,0,0,0,1,0|1,0,0]=3 397 B11R2.10 OC1=CC2=NC=CC=C2N1 DY670456 [1,0,0,0,1,0|2,0,0]=4 398 B11R2.10 OC1=CN2C=CC=CC2=N1 NO15598 [1,0,0,0,1,0|2,0,0]=4 399 B11R2.10 OC1=NC2=C(C=CC=C2)N1 NO20242 [1,0,0,0,1,0|2,0,0]=4 400 B11R2.10 SC1=NC2=C(C=CC=C2)O1 DY20463 [1,0,0,0,1,0|1,1,0]=4 401 B11R2.36 OC1=CC2=C(C=CO2)C=C1 NO20605 [1,0,0,0,1,0|2,0,0]=4 402 B11R2.36 OC1=CC=C2NC=CC2=C1 NO20861 [1,0,0,0,1,0|2,0,0]=4 403 B11R2.36 OC1=CN=C2C=CSC2=C1 NO12905 [1,0,0,0,1,0|2,0,0]=4 404 B11R2.36 OC1=CN=C2NC=CC2=C1 NO18571 [1,0,0,0,1,0|2,0,0]=4 405 B13R1.351 O=C(O)C(=O)\C=C\C1=CC=CC=C1 DY585153 [0,0,1,0,0,1|0,0,1]=3 406 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 NO11118 [0,0,1,0,0,1|0,0,2]=4 407 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 NO11117 [0,0,1,0,0,1|0,0,2]=4