0 B12R1.286 COC1=C(O)C=CC(CCN)=C1 SY062385 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.286 COC1=CC(CC#N)=CC=C1C SY017061 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.286 COCC1=CC=C(O)C(OC)=C1 SY264226 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.189 C=CCC1=CC=CC(OC)=C1 SY039006 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.189 CCCC1=CC(OC)=CC=C1 SY251462 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.189 CCOC1=CC(ON)=CC=C1 SY282303 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.189 CCOC1=CC(ON)=CC=C1 SY282304 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.189 CNCC1=CC=CC(OC)=C1 SY102494 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.189 COC1=CC(CC#N)=CC=C1 SY013554 [1,0,0,0,0,0|0,0,2]=3 9 B11R1.189 COC1=CC(CCN)=CC=C1 SY005807 [1,0,0,0,0,0|0,0,0]=1 10 B11R1.189 COC1=CC(CCO)=CC=C1 SY025589 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.189 COC1=CC(CON)=CC=C1 SY281849 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.189 COC1=CC(CON)=NC=C1 SY281663 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.189 COC1=CC(CON)=NC=C1 SY281664 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.189 COC1=CC(N=C=O)=CC=C1 SY011492 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.189 COC1=CC=CC(OCCl)=C1 SY298498 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.189 COC1=NC=CC(CON)=C1 SY281610 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.189 COC1=NC=CC(CON)=C1 SY281611 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.192 CC1=CC(OCCl)=CC=C1Cl SY298495 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.192 CC1=CC(SC#N)=CC=C1O SY037959 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.192 CCOC1=CC=C(N)C(O)=C1 SY291957 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.192 CCOC1=CC=C(O)C(O)=C1 SY294373 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.192 CNCC1=CC=C(C)C(C)=C1 SY006082 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.192 CNCC1=CC=C(O)C(O)=C1 SY024820 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.192 FC1=CC(CCBr)=CC=C1Br SY262897 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.192 NCCC1=CC=C(Cl)C(Cl)=C1 SY016994 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.192 NCCC1=CC=C(O)C(Cl)=C1 SY302004 [1,0,0,0,0,0|1,0,0]=2 27 B11R1.192 NNCC1=CC=C(Cl)C(Cl)=C1 SY040727 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.192 NNCC1=CC=C(F)C(F)=C1 SY048086 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.192 NOCC1=CC=C(Br)C(F)=C1 SY281779 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.192 NOCC1=CC=C(Br)C(F)=C1 SY281780 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.192 NOCC1=CC=C(Cl)C(Cl)=C1 SY281728 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.192 NOCC1=CC=C(Cl)C(F)=C1 SY281675 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.192 NOCC1=CC=C(Cl)C(F)=C1 SY281676 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.192 NOCC1=CC=C(F)C(Br)=C1 SY281683 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.192 NOCC1=CC=C(F)C(Br)=C1 SY281684 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.192 NOCC1=CC=C(F)C(F)=C1 SY281550 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.192 NOCC1=CC=C(F)C(F)=C1 SY281551 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.192 OCCC1=CC(O)=C(O)C=C1 SY017402 [1,0,0,0,0,0|1,0,0]=2 39 B11R1.192 OCCC1=CC=C(Cl)C(Cl)=C1 SY030484 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.280 COC1=C(Cl)C=CC(C#N)=C1 SY007168 [1,0,0,0,0,0|1,0,2]=4 41 B11R1.280 COC1=C(F)C=CC(C#N)=C1 SY006997 [1,0,0,0,0,0|1,0,2]=4 42 B11R1.280 COC1=C(F)C=CC(C=O)=C1 SY003349 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.280 COC1=CC(C#N)=CC=C1Br SY025036 [1,0,0,0,0,0|1,0,2]=4 44 B11R1.280 COC1=CC(C#N)=CC=C1N SY035407 [1,0,0,0,0,0|1,0,2]=4 45 B11R1.280 COC1=CC(C=O)=CC=C1Br SY047648 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.280 COC1=CC(C=O)=CC=C1Cl SY021859 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.280 COC1=CC(C=O)=CC=C1I SY028995 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.280 COC1=CC(C=O)=CC=C1O SY224451 [1,0,0,0,0,0|1,0,1]=3 49 B11R1.280 COC1=CC(CN)=CC=C1F SY026389 [1,0,0,0,0,0|1,0,0]=2 50 B11R1.280 COC1=CC(CN)=CC=C1O SY018614 [1,0,0,0,0,0|0,0,0]=1 51 B11R1.280 COC1=CC(CO)=CC=C1N SY102854 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.280 COC1=CC(CO)=CC=C1O SY013849 [1,0,0,0,0,0|1,0,0]=2 53 B11R1.280 COC1=CC(OC)=C(Br)C=C1 SY014971 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.280 COC1=CC(ON)=CC=C1Cl SY282423 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.280 COC1=CC(ON)=CC=C1Cl SY282424 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.280 COC1=CC=C(Br)C(OC)=N1 SY022339 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.280 COC1=CC=C(Cl)C(ON)=C1 SY282334 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.280 COC1=CC=C(Cl)C(ON)=C1 SY282335 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.280 COC1=CC=C(F)C(ON)=C1 SY282297 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.280 COC1=CC=C(F)C(ON)=C1 SY282298 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.280 COC1=CC=C(I)C(OC)=C1 SY050269 [1,0,0,0,0,0|2,0,0]=3 62 B13R1.49 COC(=O)C1=CC=C(O)C(OC)=C1 SY003406 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.52 COC1=CC(CC(=O)O)=CC=C1F SY033877 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.52 COC1=CC(CC(=O)O)=CC=C1O SY017698 [0,1,0,0,0,0|1,0,1]=3 65 B13R1.52 COC1=CC(CC(C)N)=CC=C1O SY271547 [0,1,0,0,0,0|0,0,0]=1 66 B13R1.52 COC1=CC(OC(C)=O)=CC=C1O SY237801 [0,1,0,0,0,0|2,0,1]=4 67 B13R1.386 CNCC1=CC=C(OC)C(OC)=C1 SY002104 [0,1,0,0,0,0|2,0,0]=3 68 B13R1.386 COC1=CC=C(CC#N)C=C1OC SY012004 [0,1,0,0,0,0|0,0,2]=3 69 B13R1.386 COC1=CC=C(CCO)C=C1OC SY051539 [0,1,0,0,0,0|1,0,0]=2 70 B13R1.1255 COC1=C(C)C(CON)=NC=C1C SY281650 [0,1,0,0,0,0|3,0,0]=4 71 B13R1.1255 COC1=C(C)C(CON)=NC=C1C SY281651 [0,1,0,0,0,0|3,0,0]=4 72 B13R2.449 ClCOC1=CC2=C(C=C1)OCO2 SY298456 [0,0,0,1,0,0|2,0,0]=3 73 B13R2.449 NCCC1=CC=C2N=CSC2=C1 SY268199 [0,0,0,1,0,0|1,1,1]=4 74 B13R2.599 COC1=C(N)C=C2OCOC2=C1 SY263294 [0,0,0,1,0,0|3,0,0]=4 75 B13R2.599 COC1=CC2=C(C=C1Br)NN=C2 SY027928 [0,0,0,1,0,0|2,0,1]=4 76 B13R2.599 COC1=CC2=C(C=C1C)NC=C2 SY243075 [0,0,0,1,0,0|1,0,2]=4 77 B13R2.599 N#CC1=CC2=C(C=C1F)NCC2 SY237417 [0,0,0,1,0,0|3,0,0]=4 78 B13R2.2461 COC1=CC(C2CC2)=CC=C1C SY264159 [0,0,0,1,0,0|2,0,0]=3 79 B13R2.2461 COC1=CC(C2CC2)=CC=C1Cl SY263895 [0,0,0,1,0,0|2,0,0]=3 80 B13R2.2461 COC1=CC(C2CC2)=CC=C1F SY263962 [0,0,0,1,0,0|2,0,0]=3 81 B13R2.2461 COC1=CC(C2CC2)=CC=C1N SY264036 [0,0,0,1,0,0|2,0,0]=3 82 B10R1.10 C=CCC1=CC(O)=CC=C1 SY029063 [2,0,0,0,0,0|1,0,1]=4 83 B10R1.10 CC1=CC(CC#N)=CC=C1 SY046497 [2,0,0,0,0,0|0,0,2]=4 84 B10R1.10 CC1=CC(CCO)=CC=C1 SY051329 [2,0,0,0,0,0|1,0,0]=3 85 B10R1.10 CC1=CC(CON)=CC=C1 SY281673 [2,0,0,0,0,0|1,0,0]=3 86 B10R1.10 CC1=CC(CON)=CC=C1 SY281674 [2,0,0,0,0,0|1,0,0]=3 87 B10R1.10 CC1=CC=CC(CCO)=N1 SY162922 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.10 CC1=CC=CC(CON)=N1 SY281644 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.10 CC1=CC=CC(CON)=N1 SY281645 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.10 CC1=NC(CCBr)=CC=C1 SY224318 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.10 CNCC1=CC=CC(O)=C1 SY018671 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.10 ClC1=CC=CC(CCBr)=C1 SY004844 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.10 FC1=CC(CCBr)=CC=C1 SY035660 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.10 NC1=CC(CCO)=CC=C1 SY076026 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.10 NCCC1=CC=CC(Cl)=C1 SY011429 [2,0,0,0,0,0|1,0,0]=3 96 B10R1.10 NCCC1=CC=CC(O)=C1 SY005806 [2,0,0,0,0,0|0,0,0]=2 97 B10R1.10 NNCC1=CC=CC(Br)=C1 SY048079 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.10 NNCC1=CC=CC(Cl)=C1 SY040680 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.10 NNCC1=CC=CC(F)=C1 SY048077 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.10 NOCC1=CC=CC(Br)=C1 SY281696 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.10 NOCC1=CC=CC(Br)=C1 SY281697 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.10 NOCC1=CC=CC(F)=C1 SY281567 [2,0,0,0,0,0|2,0,0]=4 103 B10R1.10 NOCC1=CC=CC(I)=C1 SY281770 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.10 NOCC1=CC=CC(I)=C1 SY281771 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.10 OCCC1=CC(Br)=CC=C1 SY006105 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.10 OCCC1=CC(Cl)=CC=C1 SY005019 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.10 OCCC1=CC(F)=CC=C1 SY015136 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.10 OCCC1=CC=CC(O)=C1 SY011808 [2,0,0,0,0,0|1,0,0]=3 109 B10R1.172 C#CC1=CC=CC(OC)=C1 SY021654 [2,0,0,0,0,0|0,0,2]=4 110 B10R1.172 CNC1=CC=CC(CN)=C1 SY025093 [2,0,0,0,0,0|1,0,0]=3 111 B10R1.172 CNC1=CC=CC(NC)=C1 SY128800 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.172 CNC1=NC=CC(OC)=C1 SY209235 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.172 COC1=CC(C=O)=CC=C1 SY001070 [2,0,0,0,0,0|1,0,1]=4 114 B10R1.172 COC1=CC(CCl)=NC=C1 SY188471 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.172 COC1=CC(CN)=NC=C1 SY032972 [2,0,0,0,0,0|1,0,0]=3 116 B10R1.172 COC1=CC(CO)=CC=C1 SY017865 [2,0,0,0,0,0|1,0,0]=3 117 B10R1.172 COC1=CC(CO)=NC=C1 SY106603 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.172 COC1=CC(NN)=CC=C1 SY031446 [2,0,0,0,0,0|1,0,0]=3 119 B10R1.172 COC1=CC(OC)=NC=C1 SY031859 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.172 COC1=CC(ON)=CC=C1 SY282041 [2,0,0,0,0,0|1,0,0]=3 121 B10R1.172 COC1=CC(ON)=CC=C1 SY282042 [2,0,0,0,0,0|1,0,0]=3 122 B10R1.172 COC1=CC=CC(CN)=C1 SY004059 [2,0,0,0,0,0|0,0,0]=2 123 B10R1.172 COC1=CC=CC(CO)=N1 SY104278 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.172 COC1=CN=CC(OC)=C1 SY024780 [2,0,0,0,0,0|2,0,0]=4 125 B10R1.172 COC1=NC(CN)=NC=C1 SY143333 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.172 COC1=NC=CC(CN)=C1 SY025158 [2,0,0,0,0,0|1,0,0]=3 127 B10R1.172 COC1=NC=CC(CO)=C1 SY056875 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.172 COC1=NC=CC(ON)=C1 SY282543 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.172 COC1=NC=CC(ON)=C1 SY282544 [2,0,0,0,0,0|2,0,0]=4 130 B10R1.172 N#CC1=CC=CC(CN)=C1 SY007081 [2,0,0,0,0,0|2,0,0]=4 131 B10R1.172 NCC1=CC(CO)=CC=C1 SY021934 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.172 [C-]#[N+]C1=CC=CC(OC)=C1 SY263037 [2,0,0,0,0,0|1,0,1]=4 133 B10R1.1 C=CCC1=CC=C(O)C=C1 SY045829 [2,0,0,0,0,0|1,0,1]=4 134 B10R1.1 CC1=CC=C(CCO)C=C1 SY036805 [2,0,0,0,0,0|2,0,0]=4 135 B10R1.1 CC1=CC=C(CNN)C=C1 SY048073 [2,0,0,0,0,0|2,0,0]=4 136 B10R1.1 CCCC1=CC=C(Br)C=C1 SY016468 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.1 CCOC1=CC=C(O)C=C1 SY015677 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.1 CNCC1=CC=C(O)C=C1 SY018667 [2,0,0,0,0,0|2,0,0]=4 139 B10R1.1 COCC1=CC=C(O)C=C1 SY026430 [2,0,0,0,0,0|2,0,0]=4 140 B10R1.1 ClC1=CC=C(CCBr)C=C1 SY101293 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.1 FC1=CC=C(CCBr)C=C1 SY004855 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.1 NC1=CC=C(CCO)C=C1 SY030989 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.1 NCCC1=CC=C(Br)C=C1 SY004635 [2,0,0,0,0,0|1,0,0]=3 144 B10R1.1 NCCC1=CC=C(Cl)C=C1 SY006689 [2,0,0,0,0,0|1,0,0]=3 145 B10R1.1 NCCC1=CC=C(F)C=C1 SY279169 [2,0,0,0,0,0|1,0,0]=3 146 B10R1.1 NCCC1=CC=C(N)C=C1 SY002473 [2,0,0,0,0,0|1,0,0]=3 147 B10R1.1 NCCC1=CC=C(O)C=C1 SY002127 [2,0,0,0,0,0|0,0,0]=2 148 B10R1.1 NCCC1=CC=C(O)C=C1 SY057039 [2,0,0,0,0,0|0,0,0]=2 149 B10R1.1 NNCC1=CC=C(Br)C=C1 SY048080 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.1 NOCC1=CC=C(Br)C=C1 SY281555 [2,0,0,0,0,0|2,0,0]=4 151 B10R1.1 NOCC1=CC=C(Br)C=C1 SY281556 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.1 NOCC1=CC=C(F)C=C1 SY246091 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.1 NOCC1=CC=C(I)C=C1 SY281768 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.1 NOCC1=CC=C(I)C=C1 SY281769 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.1 OC1=CC=C(CCBr)C=C1 SY020164 [2,0,0,0,0,0|1,0,0]=3 156 B10R1.1 OCCC1=CC=C(Br)C=C1 SY002573 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.1 OCCC1=CC=C(Cl)C=C1 SY018274 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.1 OCCC1=CC=C(F)C=C1 SY016325 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.1 OCCC1=CC=C(I)C=C1 SY105110 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.1 OCCC1=CC=C(O)C=C1 SY001653 [2,0,0,0,0,0|1,0,0]=3 161 B10R1.176 C=CC1=CC=C(O)C(O)=C1 SY298155 [2,0,0,0,0,0|0,0,2]=4 162 B10R1.176 CC1=CC(CN)=NC=C1Br SY035465 [2,0,0,0,0,0|2,0,0]=4 163 B10R1.176 CC1=CC(CO)=CC=C1Br SY025541 [2,0,0,0,0,0|2,0,0]=4 164 B10R1.176 CC1=CC(ON)=CC=C1Cl SY282234 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.176 CC1=CC(ON)=CC=C1Cl SY282235 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.176 CC1=CC(ON)=CC=C1F SY282184 [2,0,0,0,0,0|2,0,0]=4 167 B10R1.176 CC1=CC(ON)=CC=C1F SY282185 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.176 CC1=CC=C(CN)C=C1Br SY028613 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.176 CC1=CC=C(CN)C=C1C SY002791 [2,0,0,0,0,0|1,0,0]=3 170 B10R1.176 CC1=CC=C(CO)C=C1C SY005661 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.176 CC1=CC=C(NN)C=C1C SY013634 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.176 CC1=CC=C(ON)C=C1C SY282226 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.176 CC1=CC=C(ON)C=C1C SY282227 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.176 CCC1=CC=C(N)C(Br)=C1 SY123282 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.176 COC1=CC(Br)=C(O)C=C1 SY018293 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.176 COC1=CC(C)=C(Br)C=C1 SY009132 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.176 COC1=CC(Cl)=C(O)C=C1 SY018292 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.176 COC1=CC=C(Br)C(O)=C1 SY019932 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.176 COC1=CC=C(C)C(C)=C1 SY027665 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.176 COC1=CC=C(C)C(O)=C1 SY047880 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.176 COC1=CC=C(Cl)C(C)=C1 SY012336 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.176 COC1=CC=C(F)C(C)=C1 SY016987 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.176 COC1=CC=C(N)C(O)=C1 SY019008 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.176 COC1=CC=C(O)C(N)=C1 SY035371 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.176 N#CC1=CC=C(O)C(O)=C1 SY001648 [2,0,0,0,0,0|0,0,2]=4 186 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 SY004246 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.176 NCC1=CC=C(Br)C(F)=C1 SY070857 [2,0,0,0,0,0|2,0,0]=4 188 B10R1.176 NCC1=CC=C(Cl)C(Br)=C1 SY028630 [2,0,0,0,0,0|2,0,0]=4 189 B10R1.176 NCC1=CC=C(F)C(Br)=C1 SY033336 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.176 NCC1=CC=C(F)C(Cl)=C1 SY003467 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.176 NCC1=CC=C(O)C(F)=C1 SY296796 [2,0,0,0,0,0|1,0,0]=3 192 B10R1.176 O=CC1=CC=C(O)C(O)=C1 SY001411 [2,0,0,0,0,0|1,0,1]=4 193 B10R1.176 OCC1=CC=C(Br)C(O)=C1 SY047299 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.30 C#CC1=CC(N)=CC=C1O SY262090 [2,0,0,0,0,0|1,0,1]=4 195 B10R1.30 CC1=CC=C(C)C(ON)=C1 SY282144 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.30 CC1=CC=C(C)C(ON)=C1 SY282145 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.30 CC1=CC=C(Cl)C(ON)=C1 SY282236 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.30 CC1=CC=C(Cl)C(ON)=C1 SY282237 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.30 CC1=CC=C(F)C(ON)=C1 SY282288 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.30 CC1=CC=C(F)C(ON)=C1 SY282289 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.30 CC1=CC=C(O)C(C=O)=C1 SY017271 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.30 CCC1=NC(C)=CC=C1O SY021192 [2,0,0,0,0,0|2,0,0]=4 203 B10R1.30 CNC1=CC(C)=CC=C1N SY114319 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 SY018959 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.30 COC1=C(Br)C=CC(F)=C1 SY014353 [2,0,0,0,0,0|2,0,0]=4 206 B10R1.30 COC1=C(Br)C=CC(N)=N1 SY114734 [2,0,0,0,0,0|2,0,0]=4 207 B10R1.30 COC1=C(C)C=CC(O)=C1 SY224175 [2,0,0,0,0,0|2,0,0]=4 208 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 SY007597 [2,0,0,0,0,0|2,0,0]=4 209 B10R1.30 COC1=C(Cl)N=CC(N)=C1 SY026735 [2,0,0,0,0,0|2,0,0]=4 210 B10R1.30 COC1=C(N)C=CC(Br)=C1 SY018328 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.30 COC1=C(N)C=CC(O)=C1 SY007233 [2,0,0,0,0,0|2,0,0]=4 212 B10R1.30 COC1=C(O)C=CC(Br)=C1 SY004455 [2,0,0,0,0,0|1,0,0]=3 213 B10R1.30 COC1=CC(Br)=CC=C1C SY041361 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.30 COC1=CC(Br)=CC=C1F SY014351 [2,0,0,0,0,0|2,0,0]=4 215 B10R1.30 COC1=CC(Br)=CC=C1I SY035398 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.30 COC1=CC(C)=CC=C1I SY262824 [2,0,0,0,0,0|1,0,0]=3 217 B10R1.30 COC1=CC(C)=CC=C1N SY035523 [2,0,0,0,0,0|1,0,0]=3 218 B10R1.30 COC1=CC(C)=CC=C1O SY036778 [2,0,0,0,0,0|0,0,0]=2 219 B10R1.30 COC1=CC(C)=CN=C1Cl SY310347 [2,0,0,0,0,0|2,0,0]=4 220 B10R1.30 COC1=CC(Cl)=CC=C1N SY104152 [2,0,0,0,0,0|2,0,0]=4 221 B10R1.30 COC1=CC(Cl)=CC=C1O SY048539 [2,0,0,0,0,0|1,0,0]=3 222 B10R1.30 COC1=CC(F)=CC=C1N SY026829 [2,0,0,0,0,0|2,0,0]=4 223 B10R1.30 COC1=CC(F)=CC=C1O SY027495 [2,0,0,0,0,0|1,0,0]=3 224 B10R1.30 COC1=CC(I)=CC=C1Br SY024852 [2,0,0,0,0,0|2,0,0]=4 225 B10R1.30 COC1=CC(N)=CC=C1Br SY027521 [2,0,0,0,0,0|1,0,0]=3 226 B10R1.30 COC1=CC(N)=CC=C1C SY007315 [2,0,0,0,0,0|1,0,0]=3 227 B10R1.30 COC1=CC(N)=CC=C1F SY002987 [2,0,0,0,0,0|1,0,0]=3 228 B10R1.30 COC1=CC(N)=CC=C1O SY051139 [2,0,0,0,0,0|0,0,0]=2 229 B10R1.30 COC1=CC(N)=NC=C1Br SY103859 [2,0,0,0,0,0|2,0,0]=4 230 B10R1.30 COC1=CC(O)=CC=C1Br SY027414 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.30 COC1=CC(O)=CC=C1Br SY294049 [2,0,0,0,0,0|2,0,0]=4 232 B10R1.30 COC1=CC(O)=CC=C1Cl SY027442 [2,0,0,0,0,0|2,0,0]=4 233 B10R1.30 COC1=CC(O)=CC=C1F SY045539 [2,0,0,0,0,0|2,0,0]=4 234 B10R1.30 COC1=CC(O)=CC=C1N SY006410 [2,0,0,0,0,0|2,0,0]=4 235 B10R1.30 COC1=NC(Br)=CC=C1O SY278164 [2,0,0,0,0,0|2,0,0]=4 236 B10R1.30 COC1=NC(C)=CC=C1Br SY024903 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.30 COC1=NC(C)=CC=C1N SY021479 [2,0,0,0,0,0|2,0,0]=4 238 B12R1.270 COC1=CC=C(Br)C(CON)=C1 SY281794 [1,1,0,0,0,0|1,0,0]=3 239 B12R1.270 COC1=CC=C(Br)C(CON)=C1 SY281795 [1,1,0,0,0,0|1,0,0]=3 240 B12R1.279 NCCC1=CC(B(O)O)=CC=C1 SY263621 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.279 NCCC1=CC=CC([N+](=O)[O-])=C1 SY144038 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.382 CCNCC1=CC=CC(OC)=C1 SY045888 [1,1,0,0,0,0|1,0,0]=3 243 B12R1.382 COC1=CC(CCC=O)=CC=C1 SY019020 [1,1,0,0,0,0|1,0,0]=3 244 B12R1.382 COC1=CC(CCCO)=CC=C1 SY032554 [1,1,0,0,0,0|1,0,0]=3 245 B12R1.382 COC1=CC(OCC#N)=CC=C1 SY010987 [1,1,0,0,0,0|0,0,2]=4 246 B12R1.382 COC1=CC(OCCN)=CC=C1 SY008274 [1,1,0,0,0,0|0,0,0]=2 247 B12R1.382 N#CC1=CC(OCCN)=CC=C1 SY008280 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.435 CCC(=O)C1=CC=CC(OC)=C1 SY030430 [1,1,0,0,0,0|1,0,1]=4 249 B12R1.435 COC1=CC(C(=O)CO)=CC=C1 SY130982 [1,1,0,0,0,0|1,0,1]=4 250 B12R1.435 COC1=CC(C(=O)NN)=CC=C1 SY031614 [1,1,0,0,0,0|1,0,1]=4 251 B12R1.438 COC1=CC(CC(=O)O)=CC=C1 SY001372 [1,1,0,0,0,0|1,0,1]=4 252 B12R1.19 O=C(O)CC1=CC=C(O)C(O)=C1 SY015718 [1,1,0,0,0,0|1,0,1]=4 253 B12R1.288 COC1=CC=C(CCN)C=C1O SY062386 [1,1,0,0,0,0|0,0,0]=2 254 B12R1.288 COC1=CC=C(CCN)C=C1O SY184603 [1,1,0,0,0,0|0,0,0]=2 255 B12R1.288 COC1=CC=C(CCO)C=C1F SY032777 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.367 CC1=CC(C(=O)CBr)=CC=C1O SY144190 [1,1,0,0,0,0|1,0,1]=4 257 B12R1.367 O=C(CCl)C1=CC=C(O)C(O)=C1 SY049311 [1,1,0,0,0,0|1,0,1]=4 258 B12R1.385 CCNCC1=CC=C(C)C(C)=C1 SY006083 [1,1,0,0,0,0|2,0,0]=4 259 B12R1.385 CCNCC1=CC=C(O)C(O)=C1 SY025745 [1,1,0,0,0,0|1,0,0]=3 260 B12R1.1123 NCCC1=C(O)C=C(O)C(O)=C1 SY102034 [1,1,0,0,0,0|0,0,0]=2 261 B12R1.56 COC1=C(O)C=CC(N(=O)=O)=C1 SY004543 [1,1,0,0,0,0|2,0,0]=4 262 B12R1.56 COC1=CC(C(=O)O)=CC=C1O SY001450 [1,1,0,0,0,0|1,0,1]=4 263 B12R1.56 COC1=CC(C(C)=O)=CC=C1Br SY035677 [1,1,0,0,0,0|1,0,1]=4 264 B12R1.56 COC1=CC(C(F)F)=CC=C1Br SY265977 [1,1,0,0,0,0|2,0,0]=4 265 B12R1.56 COC1=CC(C(F)F)=CC=C1Cl SY265893 [1,1,0,0,0,0|2,0,0]=4 266 B12R1.56 COC1=CC(C(F)F)=CC=C1F SY265706 [1,1,0,0,0,0|2,0,0]=4 267 B12R1.78 C#CC1=CC=C(OC)C(OC)=C1 SY036899 [1,1,0,0,0,0|0,0,2]=4 268 B12R1.78 C=CC1=CC=C(OC)C(OC)=C1 SY032032 [1,1,0,0,0,0|0,0,2]=4 269 B12R1.78 CCC1=CC=C(OC)C(OC)=C1 SY115240 [1,1,0,0,0,0|0,0,0]=2 270 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 SY012897 [1,1,0,0,0,0|1,0,1]=4 271 B12R1.78 COC1=CC=C(C=O)C=C1OC SY004136 [1,1,0,0,0,0|1,0,1]=4 272 B12R1.78 COC1=CC=C(CCl)C=C1OC SY028529 [1,1,0,0,0,0|1,0,0]=3 273 B12R1.78 COC1=CC=C(CN)C(OC)=C1 SY023255 [1,1,0,0,0,0|2,0,0]=4 274 B12R1.78 COC1=CC=C(CO)C(OC)=C1 SY027624 [1,1,0,0,0,0|1,0,0]=3 275 B12R1.78 COC1=CC=C(CO)C=C1OC SY001541 [1,1,0,0,0,0|1,0,0]=3 276 B12R1.78 COC1=CC=C(OC)C(OC)=C1 SY014691 [1,1,0,0,0,0|1,0,0]=3 277 B12R1.78 COC1=CC=C(OC)C(ON)=C1 SY282156 [1,1,0,0,0,0|2,0,0]=4 278 B12R1.78 COC1=CC=C(OC)C(ON)=C1 SY282157 [1,1,0,0,0,0|2,0,0]=4 279 B12R1.78 COC1=CC=C(ON)C(OC)=C1 SY282209 [1,1,0,0,0,0|1,0,0]=3 280 B12R1.78 COC1=CC=C(ON)C(OC)=C1 SY282210 [1,1,0,0,0,0|1,0,0]=3 281 B12R1.78 COC1=CC=C(ON)C=C1OC SY282138 [1,1,0,0,0,0|1,0,0]=3 282 B12R1.78 COC1=CC=C(ON)C=C1OC SY282139 [1,1,0,0,0,0|1,0,0]=3 283 B12R1.78 [C-]#[N+]C1=CC=C(OC)C=C1OC SY139206 [1,1,0,0,0,0|2,0,0]=4 284 B12R1.300 COC1=C(O)C(Br)=CC(C=O)=C1 SY017954 [1,1,0,0,0,0|1,0,1]=4 285 B12R1.300 COC1=C(O)C(F)=CC(C=O)=C1 SY031494 [1,1,0,0,0,0|1,0,1]=4 286 B12R1.300 COC1=C(O)C(I)=CC(C=O)=C1 SY048617 [1,1,0,0,0,0|1,0,1]=4 287 B12R1.449 COC1=C(F)C=C(F)C(CO)=C1 SY272039 [1,1,0,0,0,0|2,0,0]=4 288 B12R1.449 COC1=C(O)C=C(Br)C(C=O)=C1 SY026935 [1,1,0,0,0,0|1,0,1]=4 289 B12R1.449 COC1=C(O)C=C(O)C(C=O)=C1 SY264741 [1,1,0,0,0,0|1,0,1]=4 290 B12R1.449 COC1=CC(OC)=C(F)C=C1F SY059779 [1,1,0,0,0,0|2,0,0]=4 291 B12R1.453 CCC1=CC=C(O)C(C(=O)O)=C1 SY015701 [1,1,0,0,0,0|2,0,0]=4 292 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 SY018474 [1,1,0,0,0,0|2,0,0]=4 293 B12R1.453 COC1=CC=C(O)C(C(C)C)=C1 SY023037 [1,1,0,0,0,0|2,0,0]=4 294 B12R1.654 CCC1=C(N)C(CC)=C(Cl)C=C1 SY224384 [1,1,0,0,0,0|2,0,0]=4 295 B14R1.626 CCOC(=O)C1=CC(OC)=C(O)C=C1 SY015808 [0,2,0,0,0,0|1,0,1]=4 296 B14R1.1864 C#CC(O)C1=CC=C(OC)C(OC)=C1 SY045246 [0,2,0,0,0,0|1,0,1]=4 297 B14R1.1864 CCC(N)C1=CC=C(OC)C(OC)=C1 SY198381 [0,2,0,0,0,0|1,0,0]=3 298 B14R1.1864 COC1=C(OC)C=C(C(=O)CBr)C=C1 SY019782 [0,2,0,0,0,0|1,0,1]=4 299 B14R1.1864 COC1=CC=C(C(=O)CO)C=C1OC SY130980 [0,2,0,0,0,0|1,0,1]=4 300 B14R1.3412 COC1=CC(OC(F)(F)F)=CC=C1O SY264850 [0,2,0,0,0,0|2,0,0]=4 301 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 SY006121 [0,2,0,0,0,0|1,0,1]=4 302 B14R1.3651 COC1=C(OC)C=C(CC(C)=O)C=C1 SY007241 [0,2,0,0,0,0|1,0,1]=4 303 B14R1.3651 COC1=CC=C(CC(C)N)C=C1OC SY268200 [0,2,0,0,0,0|0,0,0]=2 304 B14R1.793 COC1=CC=C(C=CCN)C=C1OC SY272521 [0,2,0,0,0,0|0,0,1]=3 305 B14R1.42 COC1=CC(CCC(C)=O)=CC=C1O SY017980 [0,2,0,0,0,0|1,0,0]=3 306 B12R2.43 COC1=CC(C2CC2)=NC=C1 SY264190 [1,0,0,1,0,0|2,0,0]=4 307 B12R2.43 COC1=CC=CC(C2CC2)=C1 SY263854 [1,0,0,1,0,0|1,0,0]=3 308 B12R2.43 COC1=NC(C2CC2)=CC=C1 SY264188 [1,0,0,1,0,0|2,0,0]=4 309 B12R2.44 COC1=CC2=C(C=C1)CCN2 SY048122 [1,0,0,1,0,0|2,0,0]=4 310 B12R2.44 COC1=CC2=C(C=C1)CNC2 SY113428 [1,0,0,1,0,0|2,0,0]=4 311 B12R2.44 COC1=CC2=C(C=C1)NC=C2 SY004368 [1,0,0,1,0,0|0,0,2]=4 312 B12R2.44 COC1=CC2=C(C=C1)NN=C2 SY020404 [1,0,0,1,0,0|1,0,1]=4 313 B12R2.44 COC1=CC2=C(C=N1)NCC2 SY111580 [1,0,0,1,0,0|1,0,0]=3 314 B12R2.44 COC1=CC=C2NC=NC2=C1 SY042564 [1,0,0,1,0,0|1,0,1]=4 315 B12R2.44 N#CC1=CC2=C(C=C1)NCC2 SY007689 [1,0,0,1,0,0|2,0,0]=4 316 B12R2.315 COC1=CC=CC2=C1CNC2 SY111497 [1,0,0,1,0,0|2,0,0]=4 317 B12R2.315 COC1=CC=CC2=C1NC=C2 SY009284 [1,0,0,1,0,0|0,0,2]=4 318 B12R2.315 COC1=CC=CC2=C1NCC2 SY235533 [1,0,0,1,0,0|0,0,0]=2 319 B12R2.315 COC1=CC=CC2=C1NN=C2 SY032798 [1,0,0,1,0,0|1,0,1]=4 320 B12R2.82 ClC1=C(Br)C=CC2=C1NCC2 SY292462 [1,0,0,1,0,0|2,0,0]=4 321 B12R2.100 CC1=CC2=C(C=C1O)NN=C2 SY119959 [1,0,0,1,0,0|1,0,1]=4 322 B12R2.100 OC1=C(O)C=C2NC=NC2=C1 SY262936 [1,0,0,1,0,0|1,0,1]=4 323 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 SY041253 [1,0,0,1,0,0|0,0,2]=4 324 B12R2.291 CC1=CC(C2CC2)=CC=C1Cl SY264054 [1,0,0,1,0,0|2,0,0]=4 325 B12R2.291 CC1=CC(C2CC2)=CC=C1F SY263984 [1,0,0,1,0,0|2,0,0]=4 326 B12R2.291 CC1=CC(C2CC2)=CC=C1N SY199714 [1,0,0,1,0,0|2,0,0]=4 327 B12R2.291 CC1=CC=C(C2CC2)C=C1C SY263869 [1,0,0,1,0,0|2,0,0]=4 328 B14R2.966 CCC(=O)C1=CC=C2OCOC2=C1 SY106387 [0,1,0,1,0,0|1,0,1]=4 329 B14R2.966 NNC(=O)C1=CC=C2OCOC2=C1 SY032398 [0,1,0,1,0,0|1,0,1]=4 330 B14R2.3163 COC1=CC(C2(N)CC2)=CC=C1C SY226026 [0,1,0,1,0,0|2,0,0]=4 331 B14R2.16149 COC1=CC(C2CNC2)=CC=C1C SY267461 [0,1,0,1,0,0|1,0,0]=3 332 B14R2.16149 COC1=CC(C2CNC2)=CC=C1C SY267462 [0,1,0,1,0,0|1,0,0]=3 333 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 SY003004 [0,1,0,1,0,0|1,0,1]=4 334 B14R2.82 COC1=C(OC)C=C2NC=NC2=C1 SY106804 [0,1,0,1,0,0|1,0,1]=4 335 B14R2.82 COC1=CC2=C(C=C1OC)NC=C2 SY061785 [0,1,0,1,0,0|0,0,2]=4 336 B14R2.1238 COC1=C(OC)C2=C(C=CN2)C=C1 SY284681 [0,1,0,1,0,0|0,0,2]=4 337 B14R2.3062 COC1=CC(C2CC2)=CC=C1C#N SY264104 [0,1,0,1,0,0|2,0,0]=4 338 B14R2.3062 COC1=CC=C(C2CC2)C=C1OC SY263873 [0,1,0,1,0,0|1,0,0]=3 339 B14R2.991 CNCCC1=CC=C2OCOC2=C1 SY026811 [0,1,0,1,0,0|0,0,0]=2 340 B14R2.1128 COC1=CC2=C(C=C1Br)CCNC2 SY253919 [0,1,0,1,0,0|2,0,0]=4 341 B14R2.1128 COC1=CC2=C(C=NCC2)C=C1O SY025839 [0,1,0,1,0,0|0,0,1]=3 342 B14R3.3015 C1=C2OCOC2=CC(C3CC3)=C1 SY263899 [0,0,0,2,0,0|1,0,0]=3 343 B14R3.3022 C1=CC2=C(C=C3OCOC3=C2)N1 SY114627 [0,0,0,2,0,0|0,0,2]=4