0 B13R1.386 CNCC1=CC=C(OC)C(OC)=C1 SY002104 [0,0,0,0,0,0|1,0,1]=2 1 B13R1.386 COC1=CC=C(CC#N)C=C1OC SY012004 [0,0,0,0,0,0|1,0,1]=2 2 B13R1.386 COC1=CC=C(CCO)C=C1OC SY051539 [0,0,0,0,0,0|1,0,1]=2 3 B12R1.78 C#CC1=CC=C(OC)C(OC)=C1 SY036899 [1,0,0,0,0,0|0,0,2]=3 4 B12R1.78 C=CC1=CC=C(OC)C(OC)=C1 SY032032 [1,0,0,0,0,0|0,0,0]=1 5 B12R1.78 CCC1=CC=C(OC)C(OC)=C1 SY115240 [1,0,0,0,0,0|0,0,1]=2 6 B12R1.78 COC1=CC=C(C=O)C=C1OC SY004136 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.78 COC1=CC=C(CCl)C=C1OC SY028529 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.78 COC1=CC=C(CO)C=C1OC SY001541 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.78 COC1=CC=C(OC)C(OC)=C1 SY014691 [1,0,0,0,0,0|1,0,1]=3 10 B12R1.78 COC1=CC=C(OC)C(ON)=C1 SY282156 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.78 COC1=CC=C(OC)C(ON)=C1 SY282157 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.78 COC1=CC=C(ON)C(OC)=C1 SY282209 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.78 COC1=CC=C(ON)C(OC)=C1 SY282210 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.78 COC1=CC=C(ON)C=C1OC SY282138 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.78 COC1=CC=C(ON)C=C1OC SY282139 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.286 COC1=C(O)C=CC(CCN)=C1 SY062385 [1,0,0,0,0,0|1,0,1]=3 17 B12R1.286 COC1=CC(CC#N)=CC=C1C SY017061 [1,0,0,0,0,0|1,0,1]=3 18 B12R1.286 COCC1=CC=C(O)C(OC)=C1 SY264226 [1,0,0,0,0,0|1,0,1]=3 19 B12R1.288 COC1=CC=C(CC#N)C=C1F SY018256 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.288 COC1=CC=C(CCN)C=C1O SY062386 [1,0,0,0,0,0|1,0,1]=3 21 B12R1.288 COC1=CC=C(CCN)C=C1O SY184603 [1,0,0,0,0,0|1,0,1]=3 22 B12R1.288 COC1=CC=C(CCO)C=C1F SY032777 [1,0,0,0,0,0|2,0,1]=4 23 B14R1.793 COC1=CC=C(C=CCN)C=C1OC SY272521 [0,1,0,0,0,0|0,0,2]=3 24 B14R1.1864 C#CC(O)C1=CC=C(OC)C(OC)=C1 SY045246 [0,1,0,0,0,0|0,0,2]=3 25 B14R1.1864 CCC(N)C1=CC=C(OC)C(OC)=C1 SY198381 [0,1,0,0,0,0|0,0,2]=3 26 B14R1.1864 COC(=O)C1=CC=C(OC)C(OC)=C1 SY049313 [0,1,0,0,0,0|1,0,2]=4 27 B14R1.1864 COC1=C(OC)C=C(C(=O)CBr)C=C1 SY019782 [0,1,0,0,0,0|1,0,2]=4 28 B14R1.1864 COC1=CC=C(C(=O)CO)C=C1OC SY130980 [0,1,0,0,0,0|1,0,2]=4 29 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 SY006121 [0,1,0,0,0,0|1,0,0]=2 30 B14R1.3651 COC1=C(OC)C=C(CC(C)=O)C=C1 SY007241 [0,1,0,0,0,0|0,0,1]=2 31 B14R1.3651 COC1=CC=C(CC(C)N)C=C1OC SY268200 [0,1,0,0,0,0|0,0,2]=3 32 B14R1.3651 COC1=CC=C(OC(=O)Cl)C=C1OC SY296844 [0,1,0,0,0,0|2,0,0]=3 33 B14R1.6794 COC1=CC=C(CC#N)C=C1C(C)C SY284084 [0,1,0,0,0,0|2,0,1]=4 34 B14R2.82 COC1=C(OC)C=C2NC=NC2=C1 SY106804 [0,0,0,1,0,0|2,0,0]=3 35 B14R2.82 COC1=CC2=C(C=C1OC)NC=C2 SY061785 [0,0,0,1,0,0|1,0,0]=2 36 B14R2.1238 COC1=C(OC)C2=C(C=CN2)C=C1 SY284681 [0,0,0,1,0,0|1,0,1]=3 37 B14R2.3062 COC1=CC=C(C2CC2)C=C1OC SY263873 [0,0,0,1,0,0|0,0,2]=3 38 B11R1.37 COC1=C(OC)C=C(Br)C=C1 SY004442 [2,0,0,0,0,0|1,0,0]=3 39 B11R1.37 COC1=CC(Br)=CN=C1OC SY258509 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.37 COC1=CC(Cl)=CC=C1ON SY282299 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.37 COC1=CC(Cl)=CC=C1ON SY282300 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.37 COC1=CC(F)=CC=C1ON SY282207 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.37 COC1=CC(F)=CC=C1ON SY282208 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.37 COC1=CC=C(C)C=C1OC SY012769 [2,0,0,0,0,0|0,0,0]=2 45 B11R1.37 COC1=CC=C(Cl)C=C1ON SY282197 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.37 COC1=CC=C(Cl)C=C1ON SY282198 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.37 COC1=CC=C(F)C=C1OC SY046523 [2,0,0,0,0,0|1,0,0]=3 48 B11R1.37 COC1=CC=C(O)C=C1OC SY017636 [2,0,0,0,0,0|1,0,0]=3 49 B11R1.37 COC1=CN=C(Br)C=C1OC SY300037 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 SY019708 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.279 COC1=CC=C(C#N)C=C1O SY005357 [2,0,0,0,0,0|1,0,1]=4 52 B11R1.279 COC1=CC=C(C=O)C=C1Br SY015500 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.279 COC1=CC=C(C=O)C=C1C SY020960 [2,0,0,0,0,0|1,0,0]=3 54 B11R1.279 COC1=CC=C(C=O)C=C1Cl SY004242 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.279 COC1=CC=C(C=O)C=C1F SY004508 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.279 COC1=CC=C(C=O)C=C1O SY001500 [2,0,0,0,0,0|1,0,0]=3 57 B11R1.279 COC1=CC=C(CCl)C=C1C SY045837 [2,0,0,0,0,0|1,0,0]=3 58 B11R1.279 COC1=CC=C(CN)C=C1Br SY028629 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.279 COC1=CC=C(CN)C=C1Cl SY019709 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.279 COC1=CC=C(CO)C=C1Br SY030170 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.279 COC1=CC=C(CO)C=C1O SY006442 [2,0,0,0,0,0|1,0,0]=3 62 B11R1.279 COC1=CC=C(OC)C(O)=C1 SY035119 [2,0,0,0,0,0|1,0,1]=4 63 B11R1.279 COC1=CC=C(ON)C=C1C SY282203 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.279 COC1=CC=C(ON)C=C1C SY282204 [2,0,0,0,0,0|2,0,0]=4 65 B11R1.280 COC1=C(F)C=CC(C=O)=C1 SY003349 [2,0,0,0,0,0|2,0,0]=4 66 B11R1.280 COC1=CC(C=O)=CC=C1Br SY047648 [2,0,0,0,0,0|2,0,0]=4 67 B11R1.280 COC1=CC(C=O)=CC=C1Cl SY021859 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.280 COC1=CC(C=O)=CC=C1I SY028995 [2,0,0,0,0,0|2,0,0]=4 69 B11R1.280 COC1=CC(C=O)=CC=C1O SY224451 [2,0,0,0,0,0|1,0,0]=3 70 B11R1.280 COC1=CC(CN)=CC=C1F SY026389 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.280 COC1=CC(CN)=CC=C1O SY018614 [2,0,0,0,0,0|1,0,0]=3 72 B11R1.280 COC1=CC(CO)=CC=C1N SY102854 [2,0,0,0,0,0|2,0,0]=4 73 B11R1.280 COC1=CC(CO)=CC=C1O SY013849 [2,0,0,0,0,0|1,0,0]=3 74 B11R1.189 C=CCC1=CC=CC(OC)=C1 SY039006 [2,0,0,0,0,0|0,0,0]=2 75 B11R1.189 CCCC1=CC(OC)=CC=C1 SY251462 [2,0,0,0,0,0|0,0,2]=4 76 B11R1.189 CNCC1=CC=CC(OC)=C1 SY102494 [2,0,0,0,0,0|1,0,1]=4 77 B11R1.189 COC1=CC(CC#N)=CC=C1 SY013554 [2,0,0,0,0,0|1,0,1]=4 78 B11R1.189 COC1=CC(CCN)=CC=C1 SY005807 [2,0,0,0,0,0|1,0,1]=4 79 B11R1.189 COC1=CC(CCO)=CC=C1 SY025589 [2,0,0,0,0,0|1,0,1]=4 80 B11R1.189 COC1=CC(CON)=CC=C1 SY281849 [2,0,0,0,0,0|2,0,0]=4 81 B11R1.192 CNCC1=CC=C(C)C(C)=C1 SY006082 [2,0,0,0,0,0|1,0,1]=4 82 B11R1.192 CNCC1=CC=C(O)C(O)=C1 SY024820 [2,0,0,0,0,0|1,0,1]=4 83 B11R1.192 OCCC1=CC(O)=C(O)C=C1 SY017402 [2,0,0,0,0,0|1,0,1]=4 84 B11R1.83 CNCC1=CC=C(OC)C=C1 SY002628 [2,0,0,0,0,0|1,0,1]=4 85 B11R1.83 CNCC1=CC=C(OC)C=C1 SY002786 [2,0,0,0,0,0|1,0,1]=4 86 B11R1.83 COC1=CC=C(CC=O)C=C1 SY025623 [2,0,0,0,0,0|1,0,0]=3 87 B11R1.83 COC1=CC=C(CCO)C=C1 SY014083 [2,0,0,0,0,0|1,0,1]=4 88 B11R1.83 COC1=CC=C(CNN)C=C1 SY035883 [2,0,0,0,0,0|2,0,0]=4 89 B11R1.83 COC1=CC=C(CON)C=C1 SY064946 [2,0,0,0,0,0|2,0,0]=4 90 B11R1.83 COC1=CC=C(CON)C=C1 SY103412 [2,0,0,0,0,0|2,0,0]=4 91 B11R1.83 COC1=CC=C(\C=C\Br)C=C1 SY268197 [2,0,0,0,0,0|1,0,1]=4 92 B11R1.83 COCC1=CC=C(OC)C=C1 SY022059 [2,0,0,0,0,0|1,0,1]=4 93 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 SY019737 [2,0,0,0,0,0|0,0,2]=4 94 B13R1.355 CCOC1=CC(C#N)=CC=C1OC SY056573 [1,1,0,0,0,0|1,0,1]=4 95 B13R1.355 CCOC1=CC(C=O)=CC=C1OC SY004271 [1,1,0,0,0,0|1,0,0]=3 96 B13R1.434 COC1=C(OC)C(F)=CC(C=O)=C1 SY126471 [1,1,0,0,0,0|1,0,0]=3 97 B13R1.434 COC1=CC(OC)=C(OC)C(Br)=C1 SY283125 [1,1,0,0,0,0|1,0,1]=4 98 B13R1.1249 CCOC1=CC=C(C=O)C=C1OC SY048300 [1,1,0,0,0,0|1,0,0]=3 99 B13R1.2200 COC1=C(OC)C=C(C=O)C(Br)=C1 SY020534 [1,1,0,0,0,0|1,0,0]=3 100 B13R1.2200 COC1=C(OC)C=C(C=O)C(Cl)=C1 SY081816 [1,1,0,0,0,0|1,0,0]=3 101 B13R1.2200 COC1=C(OC)C=C(C=O)C(F)=C1 SY027079 [1,1,0,0,0,0|1,0,0]=3 102 B13R1.2200 COC1=C(OC)C=C(C=O)C(N)=C1 SY275555 [1,1,0,0,0,0|1,0,0]=3 103 B13R1.2200 COC1=C(OC)C=C(C=O)C(O)=C1 SY025559 [1,1,0,0,0,0|1,0,0]=3 104 B13R1.2200 COC1=C(OC)C=C(CO)C(N)=C1 SY129149 [1,1,0,0,0,0|1,0,0]=3 105 B13R1.2422 COC1=CC=C(C=O)C(Cl)=C1OC SY048280 [1,1,0,0,0,0|1,0,0]=3 106 B13R1.2430 COC1=CC=C(C=O)C=C1C(C)C SY029669 [1,1,0,0,0,0|2,0,0]=4 107 B13R1.3091 COC1=C(OC)C=C(C(C)=O)C=C1 SY015105 [1,1,0,0,0,0|0,0,1]=3 108 B13R1.3091 COC1=C(OC)C=C(C(C)O)C=C1 SY004567 [1,1,0,0,0,0|0,0,1]=3 109 B13R1.3091 COC1=CC=C(B(O)O)C=C1OC SY013491 [1,1,0,0,0,0|2,0,0]=4 110 B13R1.3091 COC1=CC=C(C(=O)O)C=C1OC SY010549 [1,1,0,0,0,0|1,0,0]=3 111 B13R1.3091 COC1=CC=C(C(F)F)C=C1OC SY265730 [1,1,0,0,0,0|1,0,0]=3 112 B13R1.3091 COC1=CC=C(C(N)=O)C=C1OC SY275554 [1,1,0,0,0,0|1,0,0]=3 113 B13R1.3091 COC1=CC=C([C@@H](C)N)C=C1OC SY026586 [1,1,0,0,0,0|0,0,1]=3 114 B13R1.3091 COC1=CC=C([C@H](C)N)C=C1OC SY026585 [1,1,0,0,0,0|0,0,1]=3 115 B13R1.3091 COC1=CN=C(C(=O)O)C=C1OC SY270471 [1,1,0,0,0,0|2,0,0]=4 116 B13R1.52 COC1=CC(CC(=O)O)=CC=C1F SY033877 [1,1,0,0,0,0|2,0,0]=4 117 B13R1.52 COC1=CC(CC(=O)O)=CC=C1O SY017698 [1,1,0,0,0,0|1,0,0]=3 118 B13R1.52 COC1=CC(CC(C)N)=CC=C1O SY271547 [1,1,0,0,0,0|0,0,2]=4 119 B13R1.52 COC1=CC(OC(C)=O)=CC=C1O SY237801 [1,1,0,0,0,0|1,0,1]=4 120 B13R1.35 COC1=CC=C(CC(=O)O)C=C1Br SY003029 [1,1,0,0,0,0|2,0,0]=4 121 B13R1.35 COC1=CC=C(CC(=O)O)C=C1F SY016405 [1,1,0,0,0,0|2,0,0]=4 122 B13R1.35 COC1=CC=C(CC(=O)O)C=C1O SY002879 [1,1,0,0,0,0|1,0,0]=3 123 B13R1.35 COC1=CC=C(CC(C)N)C=C1O SY271546 [1,1,0,0,0,0|0,0,2]=4 124 B15R1.815 COC1=CC=C(C(C)CCN)C=C1OC SY271614 [0,2,0,0,0,0|0,0,2]=4 125 B15R1.815 COC1=CC=C(\C(C)=C\CN)C=C1OC SY272523 [0,2,0,0,0,0|0,0,2]=4 126 B15R1.3769 COC(=O)CC1=CC=C(OC)C(OC)=C1 SY043034 [0,2,0,0,0,0|0,0,1]=3 127 B15R1.12854 COC1=CC=C(C=CC(=O)O)C=C1OC SY007353 [0,2,0,0,0,0|0,0,1]=3 128 B15R1.12854 COC1=CC=C(CCC(=O)O)C=C1OC SY004783 [0,2,0,0,0,0|0,0,1]=3 129 B15R1.12854 COC1=CC=C(CCC(C)N)C=C1OC SY271545 [0,2,0,0,0,0|0,0,2]=4 130 B15R1.12854 COC1=CC=C(\C=C\C(=O)O)C=C1OC SY031100 [0,2,0,0,0,0|0,0,1]=3 131 B15R1.12854 COC1=CC=C(\C=C\C(C)N)C=C1OC SY272532 [0,2,0,0,0,0|0,0,2]=4 132 B15R1.38111 COC1=CC(Br)=C(CCC#N)C=C1OC SY283970 [0,2,0,0,0,0|0,0,2]=4 133 B15R1.12853 COC1=CC=C(C(N)C(=O)O)C=C1OC SY044850 [0,2,0,0,0,0|1,0,0]=3 134 B15R1.3705 COC1=CC(CC#N)=CC(OC)=C1OC SY015810 [0,2,0,0,0,0|1,0,1]=4 135 B15R1.3705 COC1=CC(CCO)=CC(OC)=C1OC SY021861 [0,2,0,0,0,0|1,0,1]=4 136 B15R1.594 COC1=CC(CC#N)=CC=C1OC(C)=O SY022044 [0,2,0,0,0,0|1,0,1]=4 137 B13R2.57 NCC1=CC=C2OCCOC2=C1 SY035067 [1,0,0,1,0,0|1,0,0]=3 138 B13R2.57 NNC1=CC=C2OCCOC2=C1 SY027278 [1,0,0,1,0,0|2,0,0]=4 139 B13R2.57 NOC1=CC=C2OCCOC2=C1 SY282256 [1,0,0,1,0,0|2,0,0]=4 140 B13R2.57 NOC1=CC=C2OCCOC2=C1 SY282257 [1,0,0,1,0,0|2,0,0]=4 141 B13R2.57 O=CC1=CC=C2OCCOC2=C1 SY001133 [1,0,0,1,0,0|1,0,0]=3 142 B13R2.599 COC1=CC2=C(C=C1C)NC=C2 SY243075 [1,0,0,1,0,0|1,0,1]=4 143 B13R2.599 COC1=CC2=C(C=CN2)C=C1Br SY259508 [1,0,0,1,0,0|2,0,0]=4 144 B13R2.2461 COC1=CC(C2CC2)=CC=C1C SY264159 [1,0,0,1,0,0|0,0,2]=4 145 B13R2.84 COC1=CC=C2NC=NC2=C1C SY036281 [1,0,0,1,0,0|2,0,0]=4 146 B13R2.2396 COC1=CC=C(C2CC2)C=C1C SY264045 [1,0,0,1,0,0|0,0,2]=4 147 B15R2.117 COC1=CC2=C(C=C1OC)CCN=C2 SY009731 [0,1,0,1,0,0|0,0,1]=3 148 B15R2.117 COC1=CC2=C(C=C1OC)CCN=C2 SY030167 [0,1,0,1,0,0|0,0,1]=3 149 B15R2.117 COC1=CC2=C(C=C1OC)CNCC2 SY018789 [0,1,0,1,0,0|0,0,2]=4 150 B15R2.117 COC1=CC2=C(C=C1OC)CNCC2 SY041608 [0,1,0,1,0,0|0,0,2]=4 151 B15R2.3136 COC1=C(OC)C2=C(C=C1)COC2=O SY020123 [0,1,0,1,0,0|1,0,0]=3 152 B15R2.20737 COC1=C(OC)C=C2C(=C1)CC2C#N SY053303 [0,1,0,1,0,0|0,0,2]=4 153 B15R2.20737 COC1=C(OC)C=C2C(=C1)CC2CN SY109118 [0,1,0,1,0,0|0,0,2]=4 154 B15R2.21574 COC1=C(OC)C=C2C(=C1)ON=C2Cl SY280855 [0,1,0,1,0,0|2,0,0]=4 155 B15R2.21574 COC1=C(OC)C=C2C(=O)NOC2=C1 SY280854 [0,1,0,1,0,0|2,0,0]=4 156 B15R2.21574 COC1=CC2=C(C=C1OC)C(=O)CC2 SY013700 [0,1,0,1,0,0|0,0,1]=3 157 B15R2.21574 COC1=CC2=C(C=C1OC)C(=O)OC2 SY112692 [0,1,0,1,0,0|1,0,0]=3 158 B15R2.28320 COC1=CC=C(C2CNC2)C=C1OC SY267225 [0,1,0,1,0,0|0,0,2]=4 159 B15R2.28320 COC1=CC=C(C2CNC2)C=C1OC SY267226 [0,1,0,1,0,0|0,0,2]=4 160 B15R2.89204 COC1=CC=C(C2(N)CC2)C=C1OC SY225717 [0,1,0,1,0,0|0,0,2]=4 161 B15R2.1668 O=C(Cl)OC1=CC=C2OCCOC2=C1 SY297024 [0,1,0,1,0,0|2,0,0]=4 162 B15R3.31603 C1=C2OCCOC2=CC(C3CC3)=C1 SY263958 [0,0,0,2,0,0|0,0,2]=4 163 B13R1.358 CNCC1=CC(OC)=CC(OC)=C1 SY096655 [0,0,0,0,1,1|1,0,1]=4 164 B13R1.358 COC1=CC(CC#N)=CC(OC)=C1 SY012006 [0,0,0,0,1,1|1,0,1]=4 165 B13R1.358 COC1=CC(CON)=CC(OC)=C1 SY281741 [0,0,0,0,1,1|2,0,0]=4 166 B13R1.358 COC1=CC(CON)=CC(OC)=C1 SY281742 [0,0,0,0,1,1|2,0,0]=4