0 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N AC180027 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 AC511182 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.3 CC(C)C1=CC=C(NN)C=C1 AC050609 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.3 NCC1=CC=C(C=C1)C(O)=O HY-B1258 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.3 OB(O)C1=CC=C(CBr)C=C1 AC090194 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.3 OCC1=CC=C(C=C1)B(O)O AC090183 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.3 OCC1=CC=C(C=C1)C(O)=O AC511649 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.3 OCC1=CC=C(C=C1)[N+]([O-])=O AC511761 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.3 BrCC1=CC=C(C=C1)[N+]#[C-] AC180029 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.3 CCC1=CC=C(C=C1)C#C AC310127 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.3 CCC1=CC=C(NN)C=C1 AC181336 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.3 CNC1=CC=C(C=C1)C#N AC180317 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.3 CNC1=CC=C(OC)C=C1 AC510861 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.3 COC1=CC=C(C=C1)C#C AC190261 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.3 COC1=CC=C(C=O)C=C1 AC500184 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.3 COC1=CC=C(CBr)C=C1 AC130033 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.3 COC1=CC=C(CCl)C=C1 AC131684 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.3 COC1=CC=C(CN)C=C1 AC290030 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.3 COC1=CC=C(NN)C=C1 AC511584 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.3 COC1=CN=C(CO)C=C1 AC511257 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.3 ClCC1=CC=C(C=C1)C#N AC190274 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.3 NCC1=CC=C(C=C1)C#N AC500221 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.3 NCC1=CC=C(CO)C=C1 AC181947 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.3 NCC1=CC=C(CO)C=C1 AC182460 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.3 OCC1=CC=C(C=C1)C#C AC070103 [1,0,0,0,0,0|0,0,2]=3 25 B10R1.3 OCC1=CC=C(C=C1)C#N AC190078 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.3 OCC1=CC=C(C=O)C=C1 AC511200 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.3 OCC1=CC=C(CCl)C=C1 AC050979 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.13 C1=C(C=CC(=C1)O)B(O)O LN00138842 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.13 CC(=O)C1=CC=C(C)C=C1 AC511479 [1,0,0,0,0,0|1,0,1]=3 30 B10R1.13 CC(=O)C1=CC=C(N)C=C1 AC510510 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.13 CC(=O)C1=CC=C(O)C=C1 AC190210 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.13 CC(=O)C1=CC=C(O)N=C1 AC182574 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.13 CC(C)C1=NC=C(C=C1)N LN00179988 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.13 CC(O)C1=CC=C(C)N=C1 AC020061 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.13 CC1=CC=C(C=C1)B(O)O AC500015 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.13 CC1=CC=C(C=C1)C(O)=O AC190159 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.13 CC1=CC=C(C=C1)S([O-])=O AC510965 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.13 CN(C)C1=CC=C(C=C1)O LN00220688 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.13 C[C@@H](C1=NC=C(C=C1)Br)N LN02000998 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 AC020028 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050507 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 AC050523 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC020207 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 AC500284 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC020024 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 AC050617 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.13 OB(O)C1=CC=C(O)C=C1 AC181172 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.13 OC(=O)C1=CC=C(O)C=C1 AC190218 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.13 OC1=CC=C(C=C1)C(F)F AC512172 [1,0,0,0,0,0|2,0,0]=3 50 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 AC500270 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 AC170086 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 AC181062 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.6 CC(C)(C)C1=CC=C(NN)C=C1 AC180298 [0,1,0,0,0,0|2,0,0]=3 54 B12R1.6 CC(C)(O)C1=NC=C(C=O)C=C1 AC190039 [0,1,0,0,0,0|1,0,2]=4 55 B12R1.6 CS(=O)(=O)C1=CC=C(CBr)C=C1 AC180844 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.6 CS(=O)(=O)C1=CC=C(CN)C=C1 AC190116 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.6 FC(F)(F)C1=CC=C(CBr)C=C1 AC500035 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.6 NCC1=CC=C(C=C1)C(F)(F)F AC500304 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.6 OCC1=NC=C(C=C1)C(F)(F)F AC181849 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.48 C1=CC(=CC(=C1CO)F)[N+](=O)[O-] LN00167887 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.48 CN(C)C1=CC=C(C=O)C(O)=C1 AC180387 [0,1,0,0,0,0|1,0,2]=4 62 B12R1.48 OCC1=CC=C(C=C1Cl)[N+]([O-])=O AC182551 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.113 C1=C(C=CC(=C1)[N+](=O)[O-])CCO LN00220168 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.113 OCCC1=CC=C(C=C1)[N+]([O-])=O AC021025 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.256 C1=C(C=CC(=C1)B(O)O)C(F)F LN00189319 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.256 CC(=O)C1=CC=C(C=C1)B(O)O AC090071 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.256 CC(=O)C1=CC=C(C=C1)C(O)=O AC180046 [0,1,0,0,0,0|1,0,2]=4 68 B12R1.256 CC(C)C1=CC=C(C=C1)B(O)O AC090079 [0,1,0,0,0,0|1,0,0]=2 69 B12R1.256 CC(C)C1=CC=C(C=C1)C(O)=O AC510822 [0,1,0,0,0,0|0,0,1]=2 70 B12R1.256 C[C@@H](N)C1=CC=C(C=C1)C(O)=O AC021020 [0,1,0,0,0,0|1,0,1]=3 71 B12R1.256 C[C@@H](N)C1=CC=C(C=C1)C(O)=O AC050234 [0,1,0,0,0,0|1,0,1]=3 72 B12R1.256 C[C@H](N)C1=CC=C(C=C1)C(O)=O AC050466 [0,1,0,0,0,0|1,0,1]=3 73 B12R1.256 C[C@H](N)C1=CC=C(C=C1)[N+]([O-])=O AC021030 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.31 CC(C)C1=COC(C=O)=C1 AC021095 [0,0,0,0,1,0|1,0,2]=4 75 B10R1.31 CC(C)C1=NC=C(CN)S1 AC512169 [0,0,0,0,1,0|3,0,0]=4 76 B12R1.4 CCC1=CC=C(C=C1)CC(=O)C LN02141449 [0,0,0,0,0,1|2,0,1]=4 77 B12R1.4 OCC1=CC=C(CC(O)=O)C=C1 AC190292 [0,0,0,0,0,1|2,0,1]=4 78 B9R1.1 BC1=CC=C(OC)C=C1 AC090165 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.1 BrCC1=CC=C(Br)C=C1 AC511101 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.1 BrCC1=CC=C(I)C=C1 AC511536 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.1 C1=C(C=CC(=C1)Cl)CN LN00007551 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.1 C1=C(C=CC(=C1)I)CN LN00181807 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.1 C1=C(C=CC(=C1)I)CO LN00140802 [2,0,0,0,0,0|1,0,0]=3 84 B9R1.1 CC1=CC=C(C=C1)C#C AC310130 [2,0,0,0,0,0|0,0,2]=4 85 B9R1.1 CC1=CC=C(C=O)C=C1 AC131766 [2,0,0,0,0,0|0,0,2]=4 86 B9R1.1 CC1=CC=C(CO)C=N1 AC100103 [2,0,0,0,0,0|1,0,0]=3 87 B9R1.1 CC1=CC=C(NN)C=C1 AC510908 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.1 CC1=NC=C(CBr)C=C1 AC190124 [2,0,0,0,0,0|2,0,0]=4 89 B9R1.1 CC1=NC=C(CO)C=N1 AC512082 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.1 COC1=CC=C(I)C=C1 AC190049 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.1 COC1=CC=C(O)C=C1 AC130677 [2,0,0,0,0,0|1,0,0]=3 92 B9R1.1 COC1=CC=C(S)C=C1 AC130236 [2,0,0,0,0,0|1,1,0]=4 93 B9R1.1 COC1=NC=C(C)C=C1 AC182341 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.1 COC1=NC=C(O)C=C1 AC511210 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.1 CSC1=CC=C(O)C=C1 AC130022 [2,0,0,0,0,0|1,0,0]=3 96 B9R1.1 ClCC1=CC=C(Br)C=C1 AC511747 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.1 NC1=CC=C(CO)C=C1 AC510886 [2,0,0,0,0,0|1,0,0]=3 98 B9R1.1 NCC1=CC=C(Br)C=C1 AC500062 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.1 NCC1=CC=C(Cl)C=C1 AC510625 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.1 NCC1=CC=C(O)C=C1 AC190229 [2,0,0,0,0,0|1,0,0]=3 101 B9R1.1 OC1=CC=C(C=C1)C#N AC190204 [2,0,0,0,0,0|1,0,1]=4 102 B9R1.1 OC1=CC=C(C=O)C=C1 AC130039 [2,0,0,0,0,0|1,0,1]=4 103 B9R1.1 OCC1=CC=C(Br)C=C1 AC190199 [2,0,0,0,0,0|1,0,0]=3 104 B9R1.1 OCC1=CC=C(Cl)C=C1 AC190200 [2,0,0,0,0,0|1,0,0]=3 105 B9R1.1 OCC1=CC=C(Cl)N=C1 AC181178 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.1 OCC1=CC=C(I)C=C1 AC511569 [2,0,0,0,0,0|1,0,0]=3 107 B9R1.1 OCC1=NC=C(Br)C=C1 AC181754 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.1 OCC1=NC=C(O)C=C1 AC512020 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.6 CC(=C)C1=CC=CC=C1 AC190225 [2,0,0,0,0,0|0,0,2]=4 110 B9R1.6 CC(N)C1=CC=CN=C1 AC170099 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.6 CC(N)C1=CC=NC=C1 AC170001 [2,0,0,0,0,0|2,0,0]=4 112 B9R1.6 CC(N)C1=NC=CC=C1 AC021461 [2,0,0,0,0,0|2,0,0]=4 113 B9R1.6 CC(O)C1=NC=CC=C1 AC181953 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.6 CN(C)C1=CC=NC=C1 AC131272 [2,0,0,0,0,0|2,0,0]=4 115 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AC021462 [2,0,0,0,0,0|2,0,0]=4 116 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AC021442 [2,0,0,0,0,0|1,0,0]=3 117 B9R1.6 C[C@H](N)C1=NC=CC=C1 AC170065 [2,0,0,0,0,0|2,0,0]=4 118 B11R1.83 CCC1=CN=C(CCO)C=C1 AC180730 [1,1,0,0,0,0|1,0,0]=3 119 B11R1.83 CCOC1=CC=C(C=C1)C=O LN00173935 [1,1,0,0,0,0|0,0,2]=4 120 B11R1.83 CNCC1=CC=C(C=C1)OC LN00008541 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.83 CNCC1=CC=C(OC)C=C1 AC100011 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.83 CNCC1=CC=C(OC)C=C1 AC100039 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.83 COC1=CC=C(C=C1)CC=O LN00180813 [1,1,0,0,0,0|1,0,1]=4 124 B11R1.83 COC1=CC=C(CC#N)C=C1 AC180030 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.83 COC1=CC=C(CCO)C=C1 AC190174 [1,1,0,0,0,0|1,0,0]=3 126 B11R1.83 COC1=CC=C(CNN)C=C1 AC511322 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.83 COC1=CC=C(CON)C=C1 AC280067 [1,1,0,0,0,0|1,0,0]=3 128 B11R1.279 CCC1=CC(=C(C=C1)OC)N LN01815981 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.279 OCC1=C(Br)C=C(C=C1)C#N AC100051 [1,1,0,0,0,0|1,0,1]=4 130 B11R1.279 OCC1=CC=C(C=C1F)C#N AC130355 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 AC190213 [1,1,0,0,0,0|0,0,0]=2 132 B11R1.19 C[Si](C)(C)C1=CC=C(Br)C=C1 AC100061 [1,1,0,0,0,0|1,1,0]=4 133 B11R1.19 OC1=CC=C(C=C1)C(F)(F)F AC180033 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 AC180895 [1,1,0,0,0,0|1,0,1]=4 135 B11R1.21 CC(=O)C1=CC=C(O)C(C)=C1 AC160576 [1,1,0,0,0,0|1,0,1]=4 136 B11R1.21 CC(C)C1=CC(=C(C)C=C1)N LN00241970 [1,1,0,0,0,0|0,0,0]=2 137 B11R1.21 CC(C)C1=CC(C)=C(O)C=C1 AC060016 [1,1,0,0,0,0|0,0,0]=2 138 B11R1.21 CC1=C(C=C(C=C1)[C@@H](C)N)Cl LN02164013 [1,1,0,0,0,0|1,0,0]=3 139 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 AC050506 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.22 C1=C(C=CC(=C1)Cl)[C@@H](CO)N LN02185263 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.22 C1=C(C=CC(=C1)F)[C@H](CO)N LN01359282 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr AC500028 [1,1,0,0,0,0|1,0,1]=4 143 B11R1.22 CC1=CC=C(C=C1)[C@@H](CO)N LN02185267 [1,1,0,0,0,0|1,0,0]=3 144 B11R1.22 COC(=O)C1=CC=C(C)C=C1 AC021180 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.22 COC(=O)C1=CC=C(O)C=C1 AC190171 [1,1,0,0,0,0|1,0,1]=4 146 B11R1.22 NCC(O)C1=CC=C(O)C=C1 HY-B0528A [1,1,0,0,0,0|1,0,0]=3 147 B11R1.166 CC(=O)C1=CC=C(O)C=C1F AC021126 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.166 CC(C)C1=CC=C(N)C=C1O AC050674 [1,1,0,0,0,0|1,0,0]=3 149 B11R1.166 C[C@@H](C1=C(C=C(C=C1)Br)F)N LN02010281 [1,1,0,0,0,0|2,0,0]=4 150 B13R1.585 CC(C)OC1=CC=C(C=C1)B(O)O AC500218 [0,1,0,0,0,1|1,0,0]=3 151 B13R1.585 CC(C)OC1=CC=C(C=C1)B(O)O LN00140329 [0,1,0,0,0,1|1,0,0]=3 152 B13R1.585 CC(C)OC1=CC=C(C=C1)C(O)=O AC020961 [0,1,0,0,0,1|0,0,1]=3 153 B13R1.585 CN(C)CC1=CC=C(C=C1)B(O)O AC182579 [0,1,0,0,0,1|2,0,0]=4 154 B13R1.187 CC(C)(C#N)C1=CC=C(CBr)C=C1 AC020973 [0,2,0,0,0,0|1,0,0]=3 155 B13R1.187 CCC(C)(C)C1=CC=C(C=O)C=C1 AC050621 [0,2,0,0,0,0|0,0,2]=4 156 B13R1.537 CC(NN)C1=CC=C(C=C1)C(O)=O AC020171 [0,2,0,0,0,0|1,0,1]=4 157 B13R1.537 COC(=O)C1=CC=C(C=C1)C(C)N AC050663 [0,2,0,0,0,0|1,0,1]=4 158 B13R1.537 COC(=O)C1=CC=C(C=C1)[C@@H](C)N AC020031 [0,2,0,0,0,0|1,0,1]=4 159 B13R1.537 COC(=O)C1=CC=C(C=C1)[C@H](C)N AC050467 [0,2,0,0,0,0|1,0,1]=4 160 B13R1.537 COC(=O)C1=CC=C(C=C1)[C@H](C)N AC050672 [0,2,0,0,0,0|1,0,1]=4 161 B13R1.38 OCC1=CC=C(C=C1Cl)C(F)(F)F AC512150 [0,2,0,0,0,0|2,0,0]=4 162 B13R1.338 CC(C)(C)C1=CC=C(C=C1)B(O)O AC500185 [0,2,0,0,0,0|1,0,0]=3 163 B13R1.338 C[C@@H](N)C1=CC=C(C=C1)C(F)(F)F AC020025 [0,2,0,0,0,0|2,0,0]=4 164 B13R1.338 C[Si](C)(C)C1=CC=C(C=C1)B(O)O AC100121 [0,2,0,0,0,0|1,1,0]=4 165 B11R2.34 C1CC1C2=CC=C(C=C2)O LN01357127 [1,0,0,1,0,0|0,0,0]=2 166 B11R2.34 FC1=NC=C(C=C1)C2CC2 AC030017 [1,0,0,1,0,0|2,0,0]=4 167 B11R2.34 OC1=NC=C(C=C1)C2CC2 AC030018 [1,0,0,1,0,0|1,0,0]=3 168 B13R2.186 NC1(CC1)C2=CC=C(C=C2)C#N AC020094 [0,1,0,1,0,0|1,0,1]=4 169 B9R1.21 OCC1=CC=C(CO)O1 AC511338 [1,0,0,0,1,0|2,0,0]=4 170 B9R1.35 CC(C)N1C=CC(O)=N1 AC511304 [1,0,0,0,1,0|2,0,0]=4 171 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 HY-66005 [1,0,0,0,0,1|1,0,1]=4 172 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 AC020469 [1,0,0,0,0,1|1,0,1]=4 173 B11R1.20 CC(N)CC1=CC=C(O)C=C1 HY-B1098 [1,0,0,0,0,1|1,0,0]=3 174 B11R1.20 CN(C)CC1=CC=C(N)C=C1 AC180404 [1,0,0,0,0,1|2,0,0]=4