0 B12R1.78 C=CC1=CC(OC)=C(OC)C=C1 D52795 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 E53088 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.78 COC1=C(C=O)C=CC(C#N)=C1 F51180 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 D60501 [0,0,0,0,0,0|1,0,1]=2 4 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 V69274 [0,0,0,0,0,0|0,0,0]=0 5 B12R1.78 COC1=C(OC)C=C(CBr)C=C1 B38021 [0,0,0,0,0,0|1,0,1]=2 6 B12R1.78 COC1=C(OC)C=C(NN)C=C1 D67774 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.78 COC1=CC(C#N)=C(OC)C=C1 D51773 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.78 COC1=CC(C=O)=C(OC)C=C1 D39536 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.78 COC1=CC(OC)=C(CN)C=C1 D37838 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.78 COC1=CC=C(CN)N=C1OC D29503 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.37 CCC1=C(OC)C=CC(Br)=C1 B50154 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.37 COC1=C(C#N)C=C(Br)C=C1 B61484 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.37 COC1=C(C#N)C=C(C)C=C1 M24107 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.37 COC1=C(C#N)C=C(Cl)C=C1 C48087 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.37 COC1=C(C#N)C=C(N)C=C1 A48803 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.37 COC1=C(C#N)C=CC(Br)=C1 B38474 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.37 COC1=C(C#N)C=CC(C)=C1 M51760 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.37 COC1=C(C#N)C=CC(F)=C1 F37947 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.37 COC1=C(C#N)C=CC(N)=C1 A67804 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.37 COC1=C(C=O)C=C(Br)C=C1 B39487 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.37 COC1=C(C=O)C=C(C)C=C1 M65814 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.37 COC1=C(C=O)C=C(Cl)C=C1 C48600 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.37 COC1=C(C=O)C=C(F)C=C1 F37864 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.37 COC1=C(C=O)C=C(O)C=C1 H49101 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.37 COC1=C(C=O)C=CC(Br)=C1 B48577 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.37 COC1=C(C=O)C=CC(C)=C1 M49887 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.37 COC1=C(C=O)C=CC(Cl)=C1 C48598 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.37 COC1=C(C=O)C=CC(F)=C1 F38615 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.37 COC1=C(C=O)C=CC(O)=C1 H68872 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.37 COC1=C(CBr)C=C(Br)C=C1 B49131 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.37 COC1=C(CBr)C=C(F)C=C1 B49141 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.37 COC1=C(CBr)C=CC(Br)=C1 B38655 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.37 COC1=C(CN)C=C(Br)C=C1 B38149 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.37 COC1=C(CN)C=C(Cl)C=C1 C46807 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.37 COC1=C(CN)C=C(N)C=C1 A49668 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.37 COC1=C(CN)C=CC(F)=C1 F46817 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.37 COC1=C(CO)C=C(Br)C=C1 B65332 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.37 COC1=C(CO)C=C(F)C=C1 F49396 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.37 COC1=C(CO)C=CC(Br)=C1 B49376 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.37 COC1=C(CO)C=CC(O)=C1 H4698 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.37 COC1=C(NN)C=CC(Cl)=C1 C46330 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.37 COC1=C(OC)C=C(Br)C=C1 B39520 [1,0,0,0,0,0|1,0,0]=2 43 B11R1.37 COC1=C(OC)C=C(F)C=C1 F49393 [1,0,0,0,0,0|1,0,0]=2 44 B11R1.37 COC1=C(OC)C=C(I)C=C1 K49399 [1,0,0,0,0,0|1,0,0]=2 45 B11R1.37 COC1=C(OC)C=C(N)C=C1 D39436 [1,0,0,0,0,0|1,0,0]=2 46 B11R1.37 COC1=C(OC)C=C([Mg+])C=C1 D31789 [1,0,0,0,0,0|1,0,0]=2 47 B11R1.37 COC1=C(OC)N=C(Br)C=N1 B43030 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.37 COC1=C(OC)N=C(I)C=C1 K62513 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.37 COC1=CC(Br)=CN=C1OC B46127 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.37 COC1=CC(C)=CN=C1OC D46918 [1,0,0,0,0,0|1,0,1]=3 51 B11R1.37 COC1=CC=C(N)N=C1OC D43649 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.279 CCC1=CC(N)=C(OC)C=C1 E50338 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.279 COC1=C(Br)C=C(C#N)C=C1 B48070 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 B2967 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.279 COC1=C(Br)C=C(CO)C=C1 B49379 [1,0,0,0,0,0|1,0,2]=4 56 B11R1.279 COC1=C(C)C=C(C#N)C=C1 M63445 [1,0,0,0,0,0|1,0,1]=3 57 B11R1.279 COC1=C(C)C=C(C=O)C=C1 M49891 [1,0,0,0,0,0|0,0,0]=1 58 B11R1.279 COC1=C(Cl)C=C(C#N)C=C1 C48086 [1,0,0,0,0,0|2,0,1]=4 59 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 C67645 [1,0,0,0,0,0|1,0,0]=2 60 B11R1.279 COC1=C(Cl)C=C(C=O)C=N1 C37108 [1,0,0,0,0,0|2,0,0]=3 61 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 B49134 [1,0,0,0,0,0|2,0,1]=4 62 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 C46806 [1,0,0,0,0,0|2,0,1]=4 63 B11R1.279 COC1=C(F)C=C(C#N)C=C1 F48101 [1,0,0,0,0,0|2,0,1]=4 64 B11R1.279 COC1=C(F)C=C(C=O)C=C1 F48620 [1,0,0,0,0,0|1,0,0]=2 65 B11R1.279 COC1=C(F)C=C(CBr)C=C1 B2649 [1,0,0,0,0,0|2,0,1]=4 66 B11R1.279 COC1=C(F)C=C(CN)C=C1 F46816 [1,0,0,0,0,0|2,0,1]=4 67 B11R1.279 COC1=C(I)C=C(C=O)C=C1 K48635 [1,0,0,0,0,0|1,0,0]=2 68 B11R1.279 COC1=C(N)C=C(C#N)C=C1 A9445 [1,0,0,0,0,0|2,0,1]=4 69 B11R1.279 COC1=C(N)C=C(C=O)C=C1 A49285 [1,0,0,0,0,0|1,0,0]=2 70 B11R1.279 COC1=C(N)C=C(CO)C=C1 A37036 [1,0,0,0,0,0|1,0,2]=4 71 B11R1.279 COC1=C(O)C=C(C#N)C=C1 H67534 [1,0,0,0,0,0|1,0,1]=3 72 B11R1.279 COC1=C(O)C=C(CO)C=C1 H39431 [1,0,0,0,0,0|0,0,2]=3 73 B11R1.279 COC1=CC(Br)=C(OC)C=C1 B39519 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.279 COC1=CC(C)=C(OC)C=C1 D50280 [1,0,0,0,0,0|2,0,0]=3 75 B11R1.279 COC1=CC(F)=C(OC)C=C1 F49392 [1,0,0,0,0,0|3,0,0]=4 76 B11R1.279 COC1=CC(N)=C(OC)C=C1 D39435 [1,0,0,0,0,0|3,0,0]=4 77 B11R1.279 COC1=CC(O)=C(OC)C=C1 D46841 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.279 COC1=CC(S)=C(OC)C=C1 D46838 [1,0,0,0,0,0|2,1,0]=4 79 B11R1.279 COC1=CC([Mg+])=C(OC)C=C1 D31788 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.279 N#CC1=C(F)C=C(C=O)C=C1 F47448 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.280 COC1=C(Br)C=CC(C#N)=C1 B48071 [1,0,0,0,0,0|2,0,1]=4 82 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 B38611 [1,0,0,0,0,0|1,0,0]=2 83 B11R1.280 COC1=C(Br)C=CC(CO)=C1 B49380 [1,0,0,0,0,0|1,0,2]=4 84 B11R1.280 COC1=C(C)C=CC(C#N)=C1 M51762 [1,0,0,0,0,0|1,0,1]=3 85 B11R1.280 COC1=C(C)C=CC(C=O)=C1 M49889 [1,0,0,0,0,0|0,0,0]=1 86 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 C48599 [1,0,0,0,0,0|1,0,0]=2 87 B11R1.280 COC1=C(Cl)C=CC(CBr)=C1 B49133 [1,0,0,0,0,0|2,0,1]=4 88 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 C49387 [1,0,0,0,0,0|1,0,2]=4 89 B11R1.280 COC1=C(F)C=CC(C#N)=C1 F48103 [1,0,0,0,0,0|2,0,1]=4 90 B11R1.280 COC1=C(F)C=CC(C=O)=C1 F18436 [1,0,0,0,0,0|1,0,0]=2 91 B11R1.280 COC1=C(F)C=CC(CBr)=C1 B49142 [1,0,0,0,0,0|2,0,1]=4 92 B11R1.280 COC1=C(N)C=CC(C#N)=C1 A48802 [1,0,0,0,0,0|2,0,1]=4 93 B11R1.280 COC1=C(N)C=CC(CO)=C1 A46925 [1,0,0,0,0,0|1,0,2]=4 94 B11R1.280 COC1=C(O)C=CC(C#N)=C1 H61784 [1,0,0,0,0,0|1,0,1]=3 95 B11R1.280 COC1=C(O)C=CC(CN)=C1 A68828 [1,0,0,0,0,0|1,0,1]=3 96 B11R1.280 COC1=CC(OC)=C(Br)C=C1 D3157 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.280 COC1=CC(OC)=C(O)C=C1 D46840 [1,0,0,0,0,0|2,0,0]=3 98 B11R1.280 COC1=CC(OC)=C([Mg+])C=C1 D31787 [1,0,0,0,0,0|3,0,0]=4 99 B11R1.280 N#CC1=C(Br)C=CC(C=O)=C1 B37288 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.280 N#CC1=C(Cl)C=CC(C=O)=C1 C37093 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.280 N#CC1=C(F)C=CC(C=O)=C1 F47447 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.280 N#CC1=C(O)C=CC(C=O)=C1 F47715 [1,0,0,0,0,0|2,0,0]=3 103 B13R1.99 COC1=C(B(O)O)C=CC(C=O)=C1 F49418 [0,1,0,0,0,0|2,0,0]=3 104 B13R1.99 COC1=C(C(F)F)C=CC(C=O)=C1 D51617 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.99 COC1=C([N+](=O)[O-])C=CC(C=O)=C1 M48515 [0,1,0,0,0,0|2,0,0]=3 106 B13R1.355 CCOC1=C(OC)C=CC(C#N)=C1 E52560 [0,1,0,0,0,0|1,0,1]=3 107 B13R1.355 CCOC1=C(OC)C=CC(C=O)=C1 E66599 [0,1,0,0,0,0|0,0,0]=1 108 B13R1.386 CNCC1=CC(OC)=C(OC)C=C1 M53149 [0,1,0,0,0,0|1,0,1]=3 109 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 D60599 [0,1,0,0,0,0|1,0,1]=3 110 B13R1.386 COC1=C(OC)C=C(CCO)C=C1 D53095 [0,1,0,0,0,0|0,0,2]=3 111 B13R1.434 COC1=CC(C=O)=CC(Br)=C1OC B61946 [0,1,0,0,0,0|0,0,0]=1 112 B13R1.434 COC1=CC(C=O)=CC(I)=C1OC K52004 [0,1,0,0,0,0|0,0,0]=1 113 B13R1.1249 CNCC1=C(OC)C=C(OC)C=C1 D53155 [0,1,0,0,0,0|3,0,0]=4 114 B13R1.1249 CNCC1=C(OC)C=C(OC)C=C1 D61717 [0,1,0,0,0,0|3,0,0]=4 115 B13R1.1249 COC1=CC(OC)=C(CON)C=C1 D38297 [0,1,0,0,0,0|3,0,0]=4 116 B13R1.2200 COC1=C(OC)C=C(C#N)C(N)=C1 A68986 [0,1,0,0,0,0|1,0,1]=3 117 B13R1.2200 COC1=CC(Br)=C(C=O)C=C1OC B39581 [0,1,0,0,0,0|0,0,0]=1 118 B13R1.2200 COC1=CC(OC)=C(OC)C=C1N T50375 [0,1,0,0,0,0|2,0,0]=3 119 B13R1.2422 COC1=CC=C(C=O)C(Cl)=C1OC C51985 [0,1,0,0,0,0|0,0,0]=1 120 B13R1.2422 COC1=CC=C(C=O)C(F)=C1OC F51995 [0,1,0,0,0,0|0,0,0]=1 121 B13R1.2430 COC1=C(B(O)O)C=C(C=O)C=C1 F4100 [0,1,0,0,0,0|2,0,0]=3 122 B13R1.2430 COC1=C(C(=O)O)C=C(C=O)C=C1 M69846 [0,1,0,0,0,0|2,0,0]=3 123 B13R1.2430 COC1=C([N+](=O)[O-])C=C(C=O)C=C1 M48518 [0,1,0,0,0,0|2,0,0]=3 124 B13R1.2430 COC1=CC(C(C)=O)=C(OC)C=C1 D39609 [0,1,0,0,0,0|3,0,0]=4 125 B13R1.3091 C#CC1=C(CC)C=CC(C(=O)O)=C1 E54345 [0,1,0,0,0,0|2,0,1]=4 126 B13R1.3091 C#CC1=C(OC)C=C([N+](=O)[O-])C=C1 E51212 [0,1,0,0,0,0|2,0,1]=4 127 B13R1.3091 CCC1=C(CO)C=CC(C(C)=O)=C1 E62280 [0,1,0,0,0,0|3,0,0]=4 128 B13R1.3091 COC1=C(C=O)C=C([N+](=O)[O-])C=C1 M22637 [0,1,0,0,0,0|3,0,0]=4 129 B13R1.3091 COC1=C(CO)C=C([N+](=O)[O-])C=C1 M49352 [0,1,0,0,0,0|3,0,0]=4 130 B13R1.3091 COC1=C(OC)C=C(B(O)O)C=C1 D2780 [0,1,0,0,0,0|1,0,1]=3 131 B13R1.3091 COC1=C(OC)C=C(C(C)=O)C=C1 D67685 [0,1,0,0,0,0|0,0,0]=1 132 B13R1.3091 COC1=C(OC)C=C([C@@H](C)N)C=C1 D53151 [0,1,0,0,0,0|1,0,1]=3 133 B13R1.3091 COC1=C(OC)C=C([C@@H](C)N)C=C1 D54200 [0,1,0,0,0,0|1,0,1]=3 134 B13R1.3091 COC1=C(OC)C=C([N+](=O)[O-])C=C1 D49347 [0,1,0,0,0,0|1,0,0]=2 135 B13R2.57 BrCC1=CC2=C(C=C1)OCCO2 B51912 [0,0,0,1,0,0|1,0,1]=3 136 B13R2.57 COC1=CC2=C(C=C1)NCCO2 M38970 [0,0,0,1,0,0|3,0,0]=4 137 B13R2.57 N#CC1=CC2=C(C=C1)OCCN2 D51367 [0,0,0,1,0,0|2,0,1]=4 138 B13R2.57 O=CC1=CC2=C(C=C1)OCCC2 C52424 [0,0,0,1,0,0|1,0,0]=2 139 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 D22898 [0,0,0,1,0,0|0,0,0]=1 140 B13R2.57 O=CC1=NC2=C(C=C1)OCCO2 D64008 [0,0,0,1,0,0|1,0,0]=2 141 B13R2.57 O=CC1=NC=C2OCCCC2=C1 D24093 [0,0,0,1,0,0|2,0,0]=3 142 B13R2.57 O=CC1=NC=C2OCCOC2=C1 D48507 [0,0,0,1,0,0|1,0,0]=2 143 B13R2.57 OCC1=CC2=C(C=C1)OCCO2 D49934 [0,0,0,1,0,0|0,0,2]=3 144 B13R2.57 OCC1=CC=C2OCCOC2=N1 D49342 [0,0,0,1,0,0|1,0,2]=4 145 B13R2.669 CN1C=CC2=C1C=C(C=O)C=C2 M53910 [0,0,0,1,0,0|2,0,1]=4 146 B13R2.669 CN1N=CC2=C1C=C(C=O)C=C2 M3413 [0,0,0,1,0,0|3,0,0]=4 147 B13R2.2130 CN1C=CC2=C1C=CC(C=O)=C2 M53909 [0,0,0,1,0,0|2,0,1]=4 148 B13R2.2130 CN1C=NC2=C1C=CC(C=O)=C2 M51365 [0,0,0,1,0,0|2,0,1]=4 149 B13R2.2130 CN1N=CC2=C1C=CC(C=O)=C2 M3412 [0,0,0,1,0,0|3,0,0]=4 150 B13R2.2130 CN1N=NC2=C1C=CC(C=O)=C2 M38618 [0,0,0,1,0,0|3,0,0]=4 151 B10R1.20 C#CC1=C(OC)C=CC=C1 E38630 [2,0,0,0,0,0|1,0,1]=4 152 B10R1.20 CNC1=C(NC)C=CC=C1 D46973 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.20 CNC1=C(OC)C=CC=C1 M46897 [2,0,0,0,0,0|1,0,0]=3 154 B10R1.20 COC1=C(C#N)C=CC=C1 M67889 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.20 COC1=C(C=O)C=CC=C1 A69129 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.20 COC1=C(CN)C=CC=C1 M46906 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.20 COC1=C(OC)C=CC=C1 D64830 [2,0,0,0,0,0|0,0,0]=2 158 B10R1.20 COC1=C(OC)C=NC=C1 D37489 [2,0,0,0,0,0|1,0,0]=3 159 B10R1.20 COC1=CC=CN=C1OC D1095 [2,0,0,0,0,0|1,0,0]=3 160 B10R1.20 COC1=CN=CN=C1OC D43216 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 B39392 [2,0,0,0,0,0|2,0,0]=4 162 B10R1.25 COC1=C(Br)C=C(F)C=C1 B39393 [2,0,0,0,0,0|2,0,0]=4 163 B10R1.25 COC1=C(Br)C=C(I)C=C1 B45584 [2,0,0,0,0,0|2,0,0]=4 164 B10R1.25 COC1=C(Br)C=C(N)C=C1 B46154 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.25 COC1=C(Br)C=C(O)C=C1 B45899 [2,0,0,0,0,0|1,0,1]=4 166 B10R1.25 COC1=C(C)C=C(Br)C=C1 B49440 [2,0,0,0,0,0|1,0,0]=3 167 B10R1.25 COC1=C(C)C=C(C)C=C1 D50266 [2,0,0,0,0,0|0,0,1]=3 168 B10R1.25 COC1=C(C)C=C(F)C=C1 F49467 [2,0,0,0,0,0|1,0,0]=3 169 B10R1.25 COC1=C(C)C=C(I)C=C1 K49474 [2,0,0,0,0,0|1,0,0]=3 170 B10R1.25 COC1=C(C)C=C(N)C=C1 M46909 [2,0,0,0,0,0|1,0,0]=3 171 B10R1.25 COC1=C(C)C=C(O)C=C1 M38275 [2,0,0,0,0,0|0,0,1]=3 172 B10R1.25 COC1=C(C)C=C([Mg+])C=C1 M31769 [2,0,0,0,0,0|1,0,0]=3 173 B10R1.25 COC1=C(C)N=C(Br)C=C1 B46175 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.25 COC1=C(Cl)C=C(Br)C=C1 B45564 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.25 COC1=C(F)C=C(Br)C=C1 B13752 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.25 COC1=C(F)C=C(I)C=C1 F45610 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.25 COC1=C(F)C=C(N)C=C1 F38501 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.25 COC1=C(F)C=C(O)C=C1 F23734 [2,0,0,0,0,0|1,0,1]=4 179 B10R1.25 COC1=C(F)C=C([Mg+])C=C1 F31773 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.25 COC1=C(I)C=C(Br)C=C1 B38589 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.25 COC1=C(I)C=C(C)C=C1 K62337 [2,0,0,0,0,0|1,0,1]=4 182 B10R1.25 COC1=C(I)C=C(Cl)C=C1 C45602 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.25 COC1=C(I)C=C(N)C=C1 K46229 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.25 COC1=C(I)C=C(N)C=C1 K46231 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.25 COC1=C(N)C=C(Br)C=C1 B46157 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.25 COC1=C(N)C=C(F)C=C1 F46211 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.25 COC1=C(N)C=C(I)C=C1 A46224 [2,0,0,0,0,0|2,0,0]=4 188 B10R1.25 COC1=C(O)C=C(Br)C=C1 B37821 [2,0,0,0,0,0|1,0,0]=3 189 B10R1.25 COC1=C(O)C=C(F)C=C1 F45919 [2,0,0,0,0,0|1,0,0]=3 190 B10R1.25 COC1=C(O)C=C(N)C=C1 A46397 [2,0,0,0,0,0|1,0,0]=3 191 B10R1.25 COC1=C(O)C=C(O)C=C1 M61053 [2,0,0,0,0,0|0,0,1]=3 192 B10R1.25 COC1=C([Mg+])C=C(C)C=C1 M31765 [2,0,0,0,0,0|1,0,1]=4 193 B10R1.25 COC1=C([Mg+])C=C(Cl)C=C1 C31793 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.25 COC1=C([Mg+])C=C(F)C=C1 F31774 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.25 COC1=NC=C(Br)C=C1C B46172 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.25 COC1=NC=C(Br)C=C1O B10651 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.25 COC1=NC=C(F)C=C1C F46221 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.25 COC1=NC=C(N)C=C1C M43642 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.30 CNC1=C(C)C=CC(O)=C1 M46910 [2,0,0,0,0,0|1,0,1]=4 200 B10R1.30 COC1=C(Br)C=CC(Br)=C1 D45542 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.30 COC1=C(Br)C=CC(C)=C1 B49434 [2,0,0,0,0,0|1,0,1]=4 202 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 B45562 [2,0,0,0,0,0|2,0,0]=4 203 B10R1.30 COC1=C(Br)C=CC(F)=C1 B45575 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.30 COC1=C(Br)C=CC(I)=C1 B45582 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.30 COC1=C(Br)C=CC(N)=C1 B46156 [2,0,0,0,0,0|2,0,0]=4 206 B10R1.30 COC1=C(Br)C=CC(O)=C1 B45901 [2,0,0,0,0,0|1,0,1]=4 207 B10R1.30 COC1=C(C)C=CC(Br)=C1 B49441 [2,0,0,0,0,0|1,0,0]=3 208 B10R1.30 COC1=C(C)C=CC(C)=C1 M50278 [2,0,0,0,0,0|0,0,1]=3 209 B10R1.30 COC1=C(C)C=CC(N)=C1 M46899 [2,0,0,0,0,0|1,0,0]=3 210 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 B45554 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 D45591 [2,0,0,0,0,0|2,0,0]=4 212 B10R1.30 COC1=C(Cl)C=CC(F)=C1 C45592 [2,0,0,0,0,0|2,0,0]=4 213 B10R1.30 COC1=C(Cl)C=CC(I)=C1 C45601 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.30 COC1=C(Cl)C=CC(N)=C1 C46190 [2,0,0,0,0,0|2,0,0]=4 215 B10R1.30 COC1=C(Cl)C=CC(O)=C1 C45912 [2,0,0,0,0,0|1,0,1]=4 216 B10R1.30 COC1=C(F)C=CC(Br)=C1 B45577 [2,0,0,0,0,0|2,0,0]=4 217 B10R1.30 COC1=C(F)C=CC(I)=C1 F63969 [2,0,0,0,0,0|2,0,0]=4 218 B10R1.30 COC1=C(F)C=CC(N)=C1 F46210 [2,0,0,0,0,0|2,0,0]=4 219 B10R1.30 COC1=C(F)C=CC(O)=C1 F45918 [2,0,0,0,0,0|1,0,1]=4 220 B10R1.30 COC1=C(I)C=CC(Br)=C1 B38625 [2,0,0,0,0,0|2,0,0]=4 221 B10R1.30 COC1=C(I)C=CC(Cl)=C1 C45603 [2,0,0,0,0,0|2,0,0]=4 222 B10R1.30 COC1=C(I)C=CC(N)=C1 K46230 [2,0,0,0,0,0|2,0,0]=4 223 B10R1.30 COC1=C(N)C=CC(Br)=C1 B37849 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.30 COC1=C(N)C=CC(C)=C1 M69494 [2,0,0,0,0,0|1,0,1]=4 225 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46189 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46203 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.30 COC1=C(N)C=CC(F)=C1 F46209 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.30 COC1=C(N)C=CC(N)=C1 M43596 [2,0,0,0,0,0|2,0,0]=4 229 B10R1.30 COC1=C(O)C=CC(Br)=C1 B1785 [2,0,0,0,0,0|1,0,0]=3 230 B10R1.30 COC1=C(O)C=CC(Br)=N1 B61798 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.30 COC1=C(O)C=CC(C)=C1 M69495 [2,0,0,0,0,0|0,0,1]=3 232 B10R1.30 COC1=C(O)C=CC(Cl)=C1 C63275 [2,0,0,0,0,0|1,0,0]=3 233 B10R1.30 COC1=C(O)C=CC(F)=C1 F23730 [2,0,0,0,0,0|1,0,0]=3 234 B10R1.30 COC1=C(O)C=CC(N)=C1 A46396 [2,0,0,0,0,0|1,0,0]=3 235 B10R1.30 COC1=C([Mg+])C=CC(Cl)=C1 C31792 [2,0,0,0,0,0|2,0,0]=4 236 B10R1.30 COC1=CC(Br)=CN=C1C B16799 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.30 COC1=CC(Br)=NC=C1C B46167 [2,0,0,0,0,0|2,0,0]=4 238 B10R1.3 C#CC1=CC=C(C=O)C=C1 E38050 [2,0,0,0,0,0|1,0,1]=4 239 B10R1.3 C#CC1=CC=C(OC)C=C1 E51542 [2,0,0,0,0,0|1,0,1]=4 240 B10R1.3 C=CC1=CC=C(OC)C=C1 M68575 [2,0,0,0,0,0|1,0,0]=3 241 B10R1.3 CCC1=CC=C(OC)C=C1 E50270 [2,0,0,0,0,0|1,0,1]=4 242 B10R1.3 CCC1=CN=C(C=O)C=C1 E49257 [2,0,0,0,0,0|2,0,0]=4 243 B10R1.3 COC1=CC=C(C#N)C=C1 M68579 [2,0,0,0,0,0|1,0,1]=4 244 B10R1.3 COC1=CC=C(CN)C=C1 M4627 [2,0,0,0,0,0|1,0,1]=4 245 B10R1.3 COC1=CC=C(CO)C=C1 M68895 [2,0,0,0,0,0|0,0,2]=4 246 B10R1.3 COC1=CC=C(NN)C=C1 M46462 [2,0,0,0,0,0|2,0,0]=4 247 B10R1.3 COC1=CC=C(OC)C=C1 D68896 [2,0,0,0,0,0|2,0,0]=4 248 B10R1.3 COC1=CN=C(C=O)C=C1 M15225 [2,0,0,0,0,0|1,0,0]=3 249 B10R1.3 COC1=CN=C(C=O)N=C1 M12145 [2,0,0,0,0,0|2,0,0]=4 250 B10R1.3 COC1=NC=C(C=O)C=C1 M31008 [2,0,0,0,0,0|1,0,0]=3 251 B10R1.3 COC1=NC=C(C=O)C=N1 M42777 [2,0,0,0,0,0|2,0,0]=4 252 B10R1.3 CSC1=CC=C(C=O)C=C1 M49157 [2,0,0,0,0,0|0,1,0]=3 253 B10R1.3 O=CC1=CC=C(C=O)C=C1 T69290 [2,0,0,0,0,0|2,0,0]=4 254 B10R1.3 O=CC1=CC=C(CBr)C=C1 B24021 [2,0,0,0,0,0|2,0,0]=4 255 B10R1.3 O=CC1=CC=C(CCl)C=C1 C38746 [2,0,0,0,0,0|2,0,0]=4 256 B10R1.3 O=CC1=CC=C(CO)C=C1 H49069 [2,0,0,0,0,0|2,0,0]=4 257 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 B48714 [2,0,0,0,0,0|1,0,0]=3 258 B10R1.176 CC1=C(Br)C=C(C=O)N=C1 B45472 [2,0,0,0,0,0|2,0,0]=4 259 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 B48717 [2,0,0,0,0,0|1,0,0]=3 260 B10R1.176 CC1=C(Br)C=CC(C=O)=N1 B19216 [2,0,0,0,0,0|2,0,0]=4 261 B10R1.176 CC1=C(Br)C=NC(C=O)=C1 B45474 [2,0,0,0,0,0|2,0,0]=4 262 B10R1.176 CC1=C(C)C=C(C#N)C=C1 D51674 [2,0,0,0,0,0|1,0,1]=4 263 B10R1.176 CC1=C(C)C=C(CCl)C=C1 C49971 [2,0,0,0,0,0|1,0,1]=4 264 B10R1.176 CC1=C(C)C=C(CO)C=C1 D50275 [2,0,0,0,0,0|0,0,2]=4 265 B10R1.176 CC1=C(C)C=C(NN)C=C1 D39524 [2,0,0,0,0,0|2,0,0]=4 266 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 C48728 [2,0,0,0,0,0|1,0,0]=3 267 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 C48730 [2,0,0,0,0,0|1,0,0]=3 268 B10R1.176 CC1=C(F)C=CC(C=O)=C1 F48742 [2,0,0,0,0,0|1,0,0]=3 269 B10R1.176 CC1=C(F)C=CC(C=O)=N1 F26082 [2,0,0,0,0,0|2,0,0]=4 270 B10R1.176 CC1=C(O)C=C(C#N)C=C1 H48447 [2,0,0,0,0,0|1,0,1]=4 271 B10R1.176 CC1=C(O)C=C(C=O)C=C1 H67820 [2,0,0,0,0,0|0,0,0]=2 272 B10R1.176 CC1=C(O)C=CC(C#N)=C1 H48450 [2,0,0,0,0,0|1,0,1]=4 273 B10R1.176 CC1=C(O)C=CC(C=O)=C1 H49074 [2,0,0,0,0,0|0,0,0]=2 274 B10R1.176 CC1=C(O)C=CC(CO)=C1 H46832 [2,0,0,0,0,0|0,0,2]=4 275 B10R1.176 CC1=CC(C=O)=CN=C1Br B45476 [2,0,0,0,0,0|2,0,0]=4 276 B10R1.176 CCC1=CC(C)=C(C)C=C1 E53022 [2,0,0,0,0,0|1,0,1]=4 277 B10R1.176 CN1C=CC(C=O)=CC1=O M10303 [2,0,0,0,0,0|1,0,1]=4 278 B10R1.176 COC1=CC(C)=C(O)C=C1 H38045 [2,0,0,0,0,0|2,0,0]=4 279 B10R1.176 COC1=CC(O)=C(C)C=C1 M46827 [2,0,0,0,0,0|2,0,0]=4 280 B10R1.176 N#CC1=CC(O)=C(O)C=C1 P68087 [2,0,0,0,0,0|1,0,1]=4 281 B10R1.176 O=CC1=CC(Br)=C(Br)C=C1 D44634 [2,0,0,0,0,0|2,0,0]=4 282 B10R1.176 O=CC1=CC(Br)=C(Cl)C=C1 B44639 [2,0,0,0,0,0|2,0,0]=4 283 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 B64545 [2,0,0,0,0,0|2,0,0]=4 284 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 B45084 [2,0,0,0,0,0|1,0,0]=3 285 B10R1.176 O=CC1=CC(Cl)=C(Br)C=C1 B44641 [2,0,0,0,0,0|2,0,0]=4 286 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 C69059 [2,0,0,0,0,0|2,0,0]=4 287 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 C45092 [2,0,0,0,0,0|1,0,0]=3 288 B10R1.176 O=CC1=CC(Cl)=C(O)N=C1 C42251 [2,0,0,0,0,0|2,0,0]=4 289 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 B18680 [2,0,0,0,0,0|2,0,0]=4 290 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 C44666 [2,0,0,0,0,0|2,0,0]=4 291 B10R1.176 O=CC1=CC(F)=C(F)C=C1 D39346 [2,0,0,0,0,0|2,0,0]=4 292 B10R1.176 O=CC1=CC(F)=C(I)C=C1 F44687 [2,0,0,0,0,0|2,0,0]=4 293 B10R1.176 O=CC1=CC(F)=C(O)C=C1 F45101 [2,0,0,0,0,0|1,0,0]=3 294 B10R1.176 O=CC1=CC(I)=C(Cl)C=C1 C44674 [2,0,0,0,0,0|2,0,0]=4 295 B10R1.176 O=CC1=CC(I)=C(O)C=C1 H69424 [2,0,0,0,0,0|1,0,0]=3 296 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 B36771 [2,0,0,0,0,0|1,0,0]=3 297 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 C36636 [2,0,0,0,0,0|1,0,0]=3 298 B10R1.176 O=CC1=CC(O)=C(I)C=C1 H61294 [2,0,0,0,0,0|1,0,0]=3 299 B10R1.172 C#CC1=CC=CC(C=O)=C1 E50961 [2,0,0,0,0,0|1,0,1]=4 300 B10R1.172 C#CC1=CC=CC(OC)=C1 E25312 [2,0,0,0,0,0|1,0,1]=4 301 B10R1.172 CCC1=CC=CC(C=O)=C1 E49870 [2,0,0,0,0,0|1,0,0]=3 302 B10R1.172 CCC1=CC=CC(C=O)=N1 E49258 [2,0,0,0,0,0|2,0,0]=4 303 B10R1.172 COC1=CC(C#N)=CC=C1 M65442 [2,0,0,0,0,0|1,0,1]=4 304 B10R1.172 COC1=CC(C=O)=CN=C1 M2961 [2,0,0,0,0,0|1,0,0]=3 305 B10R1.172 COC1=CC(C=O)=NC=C1 M38180 [2,0,0,0,0,0|1,0,0]=3 306 B10R1.172 COC1=CC(CN)=CC=C1 M27985 [2,0,0,0,0,0|1,0,1]=4 307 B10R1.172 COC1=CC(CO)=CC=C1 M39430 [2,0,0,0,0,0|0,0,2]=4 308 B10R1.172 COC1=CC(NN)=CC=C1 M69005 [2,0,0,0,0,0|2,0,0]=4 309 B10R1.172 COC1=CC=CC(C=O)=C1 M67838 [2,0,0,0,0,0|0,0,0]=2 310 B10R1.172 COC1=CC=CC(C=O)=N1 M24168 [2,0,0,0,0,0|1,0,0]=3 311 B10R1.172 COC1=CC=CC(CCl)=C1 C49452 [2,0,0,0,0,0|1,0,1]=4 312 B10R1.172 COC1=NC=CC(C=O)=C1 M3688 [2,0,0,0,0,0|1,0,0]=3 313 B10R1.172 COC1=NC=CC(C=O)=N1 M67794 [2,0,0,0,0,0|2,0,0]=4 314 B10R1.172 N#CC1=CC=CC(C=O)=C1 C47711 [2,0,0,0,0,0|2,0,0]=4 315 B10R1.172 O=CC1=CC(CO)=CC=C1 H36764 [2,0,0,0,0,0|2,0,0]=4 316 B10R1.172 O=CC1=CC=CC(CBr)=C1 B48710 [2,0,0,0,0,0|2,0,0]=4 317 B12R1.46 COC1=C(C(C)=O)C=C(C)C=C1 M52812 [1,1,0,0,0,0|1,0,1]=4 318 B12R1.46 COC1=C(C(C)=O)C=C(F)C=C1 F51949 [1,1,0,0,0,0|2,0,0]=4 319 B12R1.46 COC1=C(C(C)C)C=C(C)C=C1 P54953 [1,1,0,0,0,0|1,0,1]=4 320 B12R1.46 COC1=C(C(C)C)C=C(N)C=C1 P53137 [1,1,0,0,0,0|2,0,0]=4 321 B12R1.46 COC1=C([C@H](C)O)C=C(F)C=C1 F62532 [1,1,0,0,0,0|2,0,0]=4 322 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=C1 B38809 [1,1,0,0,0,0|2,0,0]=4 323 B12R1.57 COC1=C(C(C)=O)C=CC(F)=C1 F51948 [1,1,0,0,0,0|2,0,0]=4 324 B12R1.57 COC1=C(C(C)=O)C=CC(N)=C1 A50071 [1,1,0,0,0,0|2,0,0]=4 325 B12R1.112 CCOC1=NC=C(Br)C=C1OC B46774 [1,1,0,0,0,0|2,0,0]=4 326 B12R1.448 COC1=C(OC)N=C(Br)C(C)=C1 B46776 [1,1,0,0,0,0|1,0,1]=4 327 B12R1.448 COC1=C(OC)N=C(I)C(Cl)=C1 C63735 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.448 COC1=CC(Br)=C(Br)C=C1OC D38804 [1,1,0,0,0,0|1,0,0]=3 329 B12R1.448 COC1=CC(O)=C(Br)C=C1OC B49411 [1,1,0,0,0,0|0,0,1]=3 330 B12R1.652 COC1=C(OC)C(C)=C(Br)C=C1 B50125 [1,1,0,0,0,0|1,0,0]=3 331 B12R1.48 C#CC1=C(C)C=C(C(=O)O)C=C1 E53795 [1,1,0,0,0,0|1,0,1]=4 332 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=C1 C51177 [1,1,0,0,0,0|2,0,0]=4 333 B12R1.48 CCC1=C(Br)C=C(C(=O)O)C=C1 B36941 [1,1,0,0,0,0|2,0,0]=4 334 B12R1.48 CCC1=C(N)C=C(C(=O)O)C=C1 A50040 [1,1,0,0,0,0|2,0,0]=4 335 B12R1.48 CNC1=C(C)C=C([N+](=O)[O-])C=C1 D46672 [1,1,0,0,0,0|2,0,0]=4 336 B12R1.48 CNC1=C(N)C=C(C(=O)O)C=C1 A46677 [1,1,0,0,0,0|2,0,0]=4 337 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 B48640 [1,1,0,0,0,0|1,0,0]=3 338 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 B45411 [1,1,0,0,0,0|2,0,0]=4 339 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 B51906 [1,1,0,0,0,0|1,0,0]=3 340 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=C1 B39390 [1,1,0,0,0,0|2,0,0]=4 341 B12R1.48 COC1=C(C)C=C(B(O)O)C=C1 M2759 [1,1,0,0,0,0|1,0,1]=4 342 B12R1.48 COC1=C(C)C=C(C(=O)O)C=C1 M49918 [1,1,0,0,0,0|0,0,0]=2 343 B12R1.48 COC1=C(C)C=C(C(C)=O)C=C1 M52806 [1,1,0,0,0,0|0,0,0]=2 344 B12R1.48 COC1=C(C)C=C([N+](=O)[O-])C=C1 M49329 [1,1,0,0,0,0|1,0,0]=3 345 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=C1 C36658 [1,1,0,0,0,0|1,0,0]=3 346 B12R1.48 COC1=C(Cl)C=C(C(=O)O)N=C1 C13348 [1,1,0,0,0,0|2,0,0]=4 347 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 F69026 [1,1,0,0,0,0|1,0,0]=3 348 B12R1.48 COC1=C(F)C=C(C(=O)O)C=N1 F45448 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 F51937 [1,1,0,0,0,0|1,0,0]=3 350 B12R1.48 COC1=C(F)C=C([N+](=O)[O-])C=C1 F45441 [1,1,0,0,0,0|2,0,0]=4 351 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 K69650 [1,1,0,0,0,0|2,0,0]=4 352 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 A69041 [1,1,0,0,0,0|1,0,0]=3 353 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 M39427 [1,1,0,0,0,0|2,0,0]=4 354 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 M60757 [1,1,0,0,0,0|2,0,0]=4 355 B12R1.48 COC1=C(O)C=C([N+](=O)[O-])C=C1 M39400 [1,1,0,0,0,0|1,0,0]=3 356 B12R1.48 COC1=CC=C(C(=O)O)N=C1Br B45415 [1,1,0,0,0,0|2,0,0]=4 357 B12R1.48 COC1=NC=C([N+](=O)[O-])C=C1C M46031 [1,1,0,0,0,0|2,0,0]=4 358 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 F48232 [1,1,0,0,0,0|2,0,0]=4 359 B12R1.114 CCOC1=C(Br)C=C(C=O)C=C1 B51877 [1,1,0,0,0,0|1,0,0]=3 360 B12R1.288 COC1=C(O)C=C(CCN)C=C1 A69548 [1,1,0,0,0,0|1,0,1]=4 361 B12R1.301 COC1=C(Br)C=C(C=O)C=C1Br D48120 [1,1,0,0,0,0|1,0,0]=3 362 B12R1.301 COC1=C(C)C=C(C#N)C=C1C M52550 [1,1,0,0,0,0|1,0,1]=4 363 B12R1.301 COC1=C(C)C=C(C=O)C=C1C D52808 [1,1,0,0,0,0|0,0,0]=2 364 B12R1.450 COC1=C(Br)C=C(C=O)C(O)=C1 B48651 [1,1,0,0,0,0|1,0,0]=3 365 B12R1.450 COC1=C(F)C=C(C=O)C(F)=C1 D48200 [1,1,0,0,0,0|1,0,0]=3 366 B12R1.450 COC1=CC(Br)=C(C=O)C=C1O B48650 [1,1,0,0,0,0|0,0,0]=2 367 B12R1.450 COC1=CC(C)=C(C=O)C=C1C M52810 [1,1,0,0,0,0|0,0,0]=2 368 B12R1.450 O=CC1=CC(O)=C(C=O)C=C1O D48234 [1,1,0,0,0,0|2,0,0]=4 369 B12R1.452 CC1=C(N(C)C)C=CC(C=O)=C1 D52927 [1,1,0,0,0,0|1,0,0]=3 370 B12R1.452 CC1=C([N+](=O)[O-])C=CC(C=O)=C1 M48499 [1,1,0,0,0,0|2,0,0]=4 371 B12R1.452 O=CC1=CC(O)=C([N+](=O)[O-])C=C1 F69273 [1,1,0,0,0,0|2,0,0]=4 372 B12R1.653 COC1=C(C)C(C)=C(C=O)C=C1 M52809 [1,1,0,0,0,0|0,0,0]=2 373 B12R1.653 COC1=C(C)C(N)=C(C#N)C=C1 A65382 [1,1,0,0,0,0|1,0,1]=4 374 B12R1.653 COC1=C(O)C(O)=C(C=O)C=C1 D49118 [1,1,0,0,0,0|0,0,0]=2 375 B12R1.653 COC1=CC=C(C=O)C(Cl)=C1O C48665 [1,1,0,0,0,0|0,0,0]=2 376 B12R1.653 O=CC1=C(O)C(O)=C(C=O)C=C1 D48233 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 A50043 [1,1,0,0,0,0|2,0,0]=4 378 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 B48643 [1,1,0,0,0,0|1,0,0]=3 379 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=N1 B37401 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.56 COC1=C(Br)C=CC([N+](=O)[O-])=C1 B45404 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.56 COC1=C(C)C=CC(B(O)O)=C1 M46943 [1,1,0,0,0,0|1,0,1]=4 382 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 M39538 [1,1,0,0,0,0|0,0,0]=2 383 B12R1.56 COC1=C(C)C=CC([N+](=O)[O-])=C1 M69040 [1,1,0,0,0,0|1,0,0]=3 384 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 C48658 [1,1,0,0,0,0|1,0,0]=3 385 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 C45435 [1,1,0,0,0,0|2,0,0]=4 386 B12R1.56 COC1=C(Cl)C=CC([N+](=O)[O-])=C1 C45437 [1,1,0,0,0,0|2,0,0]=4 387 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 F6994 [1,1,0,0,0,0|1,0,0]=3 388 B12R1.56 COC1=C(F)C=CC([N+](=O)[O-])=C1 F45449 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.56 COC1=C(I)C=CC([N+](=O)[O-])=C1 K45455 [1,1,0,0,0,0|2,0,0]=4 390 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 H46448 [1,1,0,0,0,0|1,0,1]=4 391 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 M45855 [1,1,0,0,0,0|1,0,0]=3 392 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 C47725 [1,1,0,0,0,0|2,0,0]=4 393 B12R1.56 O=CC1=C(O)C=CC(C(=O)O)=C1 F68325 [1,1,0,0,0,0|2,0,0]=4 394 B12R1.270 CCOC1=C(Br)C=CC(C=O)=C1 B51879 [1,1,0,0,0,0|1,0,0]=3 395 B12R1.270 CCOC1=C(O)C=CC(C#N)=C1 E69849 [1,1,0,0,0,0|1,0,1]=4 396 B12R1.286 COC1=C(C)C=CC(CC#N)=C1 M52551 [1,1,0,0,0,0|1,0,1]=4 397 B12R1.300 COC1=C(O)C(C)=CC(C#N)=C1 H15564 [1,1,0,0,0,0|1,0,1]=4 398 B12R1.300 COC1=C(O)C(O)=CC(C=O)=C1 D61559 [1,1,0,0,0,0|0,0,0]=2 399 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O B67398 [1,1,0,0,0,0|0,0,0]=2 400 B12R1.300 COC1=CC(C=O)=CC(F)=C1O F48688 [1,1,0,0,0,0|0,0,0]=2 401 B12R1.449 COC1=C(Br)C=C(F)C(C=O)=C1 B62798 [1,1,0,0,0,0|1,0,0]=3 402 B12R1.449 COC1=CC(C=O)=C(Br)C=C1F B63346 [1,1,0,0,0,0|1,0,0]=3 403 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O B48649 [1,1,0,0,0,0|0,0,0]=2 404 B12R1.453 CC1=C([N+](=O)[O-])C=C(C=O)C=C1 M48501 [1,1,0,0,0,0|2,0,0]=4 405 B12R1.654 COC1=C(Cl)C(C=O)=CC=C1O C64134 [1,1,0,0,0,0|0,0,0]=2 406 B14R1.43 COC1=C(C(=O)O)C=CC(C(C)=O)=C1 A52470 [0,2,0,0,0,0|2,0,0]=4 407 B14R1.43 COC1=C([N+](=O)[O-])C=CC(C(=O)O)=C1 M48531 [0,2,0,0,0,0|2,0,0]=4 408 B14R1.2334 COC(=O)C1=C(OC)C=C(C#N)C=C1 M53957 [0,2,0,0,0,0|1,0,1]=4 409 B14R1.2334 COC(=O)C1=C(OC)C=C(CBr)C=C1 M39024 [0,2,0,0,0,0|1,0,1]=4 410 B14R1.5121 CCOC1=C(B(O)O)C=CC(C=O)=C1 E61701 [0,2,0,0,0,0|2,0,0]=4 411 B14R1.441 CCOC1=C(OC)C=CC(C(C)=O)=C1 E54800 [0,2,0,0,0,0|0,0,0]=2 412 B14R1.441 CCOC1=C(OC)C=CC(C(N)=O)=C1 E69848 [0,2,0,0,0,0|0,0,0]=2 413 B14R1.2315 COC(=O)C1=C(OC)C=CC(C=O)=C1 M52478 [0,2,0,0,0,0|0,0,0]=2 414 B14R1.5236 CCOC1=C(OCC)C=C(C#N)C=C1 D54638 [0,2,0,0,0,0|1,0,1]=4 415 B14R1.6787 CCOC1=C(OC)C=CC(\C=N\O)=C1 E69847 [0,2,0,0,0,0|0,0,1]=3 416 B14R1.1864 CCC(=O)C1=CC(OC)=C(OC)C=C1 D54796 [0,2,0,0,0,0|0,0,0]=2 417 B14R1.1864 COC(=O)C1=CC(C=O)=C(OC)C=C1 M60502 [0,2,0,0,0,0|2,0,0]=4 418 B14R1.1864 COC(=O)C1=CC(CBr)=C(OC)C=C1 M37767 [0,2,0,0,0,0|2,0,0]=4 419 B14R1.1864 COC(=O)C1=CC(OC)=C(C=O)C=C1 M52477 [0,2,0,0,0,0|2,0,0]=4 420 B14R1.1864 COC(=O)C1=CC(OC)=C(CBr)C=C1 M38545 [0,2,0,0,0,0|2,0,0]=4 421 B14R1.1864 COC(=O)C1=CC(OC)=C(OC)C=C1 M52852 [0,2,0,0,0,0|0,0,0]=2 422 B14R1.1864 COC1=C(OC)C=C(C(=O)CBr)C=C1 D0755 [0,2,0,0,0,0|0,0,0]=2 423 B14R1.3651 COC1=C(OC)C=C(CC(=N)N)C=C1 D65815 [0,2,0,0,0,0|1,0,0]=3 424 B14R1.3651 COC1=C(OC)C=C(CC(N)=O)C=C1 D65019 [0,2,0,0,0,0|0,0,0]=2 425 B14R1.350 COC1=C(OC)C(O)=CC([N+](=O)[O-])=C1 D49363 [0,2,0,0,0,0|1,0,0]=3 426 B14R1.576 COC1=CC(C=O)=CC(OC)=C1OC T68299 [0,2,0,0,0,0|0,0,0]=2 427 B14R1.576 COC1=CC(CBr)=CC(OC)=C1OC B53007 [0,2,0,0,0,0|1,0,1]=4 428 B14R1.576 COC1=CC(CO)=CC(OC)=C1OC T69454 [0,2,0,0,0,0|0,0,2]=4 429 B14R1.101 COC1=C(OC(C)C)C=CC(CO)=C1 P66814 [0,2,0,0,0,0|0,0,2]=4 430 B14R1.101 COC1=C(OC(F)F)C=CC(C=O)=C1 M51636 [0,2,0,0,0,0|0,0,0]=2 431 B14R1.1851 COC1=CC(Br)=C(C(=O)O)C=C1OC B68668 [0,2,0,0,0,0|0,0,0]=2 432 B14R1.1851 COC1=CC(C)=C(C(C)=O)C=C1OC D54801 [0,2,0,0,0,0|0,0,0]=2 433 B14R1.1851 COC1=CC(F)=C(C(=O)O)C=C1OC F52013 [0,2,0,0,0,0|0,0,0]=2 434 B14R1.1851 COC1=CC(N)=C(C(=O)O)C=C1OC A39544 [0,2,0,0,0,0|0,0,0]=2 435 B14R1.1851 COC1=CC(O)=C(C(=O)O)C=C1OC H36639 [0,2,0,0,0,0|0,0,0]=2 436 B14R1.1851 COC1=CC(O)=C(C(C)=O)C=C1OC H62405 [0,2,0,0,0,0|0,0,0]=2 437 B14R1.2282 COC1=C(OC)C=C(C#N)C(C#N)=C1 D61409 [0,2,0,0,0,0|1,0,1]=4 438 B14R1.2282 COC1=CC(C#N)=C(C=O)C=C1OC F53958 [0,2,0,0,0,0|0,0,0]=2 439 B14R1.2282 COC1=CC(C=O)=C(OC)C=C1C=O D52471 [0,2,0,0,0,0|2,0,0]=4 440 B14R1.2023 COC1=C(OC)C(N)=C(C(=O)O)C=C1 A50107 [0,2,0,0,0,0|0,0,0]=2 441 B14R1.2023 COC1=C(OC)C(O)=C(C(=O)O)C=C1 H38333 [0,2,0,0,0,0|0,0,0]=2 442 B14R1.2023 COC1=CC=C(C(=O)O)C(Cl)=C1OC C52011 [0,2,0,0,0,0|0,0,0]=2 443 B14R1.2310 COC1=C(OC)C(OC)=C(C=O)C=C1 T39610 [0,2,0,0,0,0|0,0,0]=2 444 B14R1.31 COC1=C(C(=O)O)C=C(C(=O)O)C=C1 M60818 [0,2,0,0,0,0|2,0,0]=4 445 B14R1.31 COC1=C([N+](=O)[O-])C=C(C(=O)O)C=C1 M39483 [0,2,0,0,0,0|2,0,0]=4 446 B14R1.3720 COC1=C(C(F)(F)F)C=C(C=O)C=C1 M51268 [0,2,0,0,0,0|2,0,0]=4 447 B14R1.3720 COC1=C(S(N)(=O)=O)C=C(C=O)C=C1 F49362 [0,2,0,0,0,0|1,1,0]=4 448 B14R1.3654 COC1=C(OC)C=C(S(=O)(=O)Cl)C=C1 D49420 [0,2,0,0,0,0|1,0,0]=3 449 B12R1.24 COC(=O)C1=CC=CC(=O)N1C M62485 [0,0,1,1,0,0|2,0,0]=4 450 B12R1.608 COC(=O)C1=CC(C=O)=CN1C M49340 [0,0,1,1,0,0|2,0,0]=4 451 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 B52017 [1,0,0,1,0,0|2,0,0]=4 452 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 B37601 [1,0,0,1,0,0|2,0,0]=4 453 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 B49030 [1,0,0,1,0,0|2,0,0]=4 454 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 B52016 [1,0,0,1,0,0|2,0,0]=4 455 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 B49029 [1,0,0,1,0,0|2,0,0]=4 456 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 B48585 [1,0,0,1,0,0|1,0,0]=3 457 B12R2.24 BrC1=CN=C2OCCOC2=C1 B45348 [1,0,0,1,0,0|2,0,0]=4 458 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 C49043 [1,0,0,1,0,0|2,0,0]=4 459 B12R2.24 FC1=CC2=C(C=C1)OCCN2 F49619 [1,0,0,1,0,0|2,0,0]=4 460 B12R2.24 NC1=CC2=C(C=C1)OCCO2 D49293 [1,0,0,1,0,0|1,0,0]=3 461 B12R2.24 OC1=CC2=C(C=C1)OCCN2 D49294 [1,0,0,1,0,0|1,0,1]=4 462 B12R2.24 OC1=CC2=C(C=C1)OCCO2 H49092 [1,0,0,1,0,0|0,0,1]=3 463 B12R2.24 [Mg+]C1=CC2=C(C=C1)OCCO2 D31785 [1,0,0,1,0,0|1,0,0]=3 464 B12R2.44 C#CC1=CC2=C(C=C1)OCO2 E50963 [1,0,0,1,0,0|1,0,1]=4 465 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 M47716 [1,0,0,1,0,0|1,0,1]=4 466 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 K52409 [1,0,0,1,0,0|1,0,0]=3 467 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 B67798 [1,0,0,1,0,0|1,0,1]=4 468 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 B37163 [1,0,0,1,0,0|0,0,2]=4 469 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 B61014 [1,0,0,1,0,0|1,0,1]=4 470 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 D51558 [1,0,0,1,0,0|0,0,0]=2 471 B12R2.44 OCC1=CC2=C(C=C1)OCC2 D65568 [1,0,0,1,0,0|0,0,2]=4 472 B12R2.1 O=CC1=C2OCCOC2=CS1 D45532 [0,0,0,1,1,0|1,0,0]=3 473 B14R2.1801 CN1CCOC2=C1C=CC(C=O)=C2 M52582 [0,1,0,1,0,0|1,0,0]=3 474 B14R2.1815 CC1=C2C=CC(C=O)=CC2=NN1C D17843 [0,1,0,1,0,0|2,0,0]=4 475 B14R2.1815 CC1=NC2=C(C=CC(C=O)=C2)N1C D52301 [0,1,0,1,0,0|2,0,0]=4 476 B14R2.2497 COC1=NNC2=C1C=C(C=O)C=C2 M15068 [0,1,0,1,0,0|2,0,0]=4 477 B14R2.82 COC1=C(OC)C=C2NCCC2=C1 D52936 [0,1,0,1,0,0|1,0,1]=4 478 B14R2.82 COC1=C(OC)C=C2NN=CC2=C1 D25346 [0,1,0,1,0,0|1,0,0]=3 479 B14R2.82 COC1=CC2=C(C=C1OC)SC=N2 D51813 [0,1,0,1,0,0|0,1,0]=3 480 B14R2.112 ON=CC1=CC2=C(C=C1)OCCO2 D51826 [0,1,0,1,0,0|0,0,1]=3 481 B14R2.1101 COC1=C2OCOC2=CC(C=O)=C1 M61215 [0,1,0,1,0,0|0,0,0]=2 482 B14R2.781 CC(=O)C1=CC2=C(C=C1)NCCC2 T54634 [0,1,0,1,0,0|2,0,0]=4 483 B14R2.781 CC(=O)C1=CC2=C(C=C1)OCCO2 D69218 [0,1,0,1,0,0|0,0,0]=2 484 B14R2.781 O=C(O)C1=CC2=C(C=C1)CCCO2 C60940 [0,1,0,1,0,0|1,0,0]=3 485 B14R2.781 O=C(O)C1=CC2=C(C=C1)NCCC2 T52576 [0,1,0,1,0,0|2,0,0]=4 486 B14R2.781 O=C(O)C1=CC2=C(C=C1)NCCO2 D11868 [0,1,0,1,0,0|1,0,0]=3 487 B14R2.781 O=C(O)C1=CC2=C(C=C1)OCCO2 D51646 [0,1,0,1,0,0|0,0,0]=2 488 B14R2.781 O=[N+]([O-])C1=CC2=C(C=C1)NCCO2 N48836 [0,1,0,1,0,0|2,0,0]=4 489 B14R2.781 OB(O)C1=CC2=C(C=C1)OCCO2 B1439 [0,1,0,1,0,0|1,0,1]=4 490 B12R1.1879 COC1=C(OC)C(C#N)=CC=C1 D51772 [0,0,0,0,1,1|1,0,1]=4 491 B12R1.1879 COC1=C(OC)C(CO)=CC=C1 D50292 [0,0,0,0,1,1|0,0,2]=4 492 B12R1.1879 COC1=CC=CC(C=O)=C1OC D39535 [0,0,0,0,1,1|0,0,0]=2 493 B12R1.1879 COC1=NC=CC(C=O)=C1OC D63129 [0,0,0,0,1,1|0,0,0]=2 494 B12R1.58 C#CC1=CC(OC)=CC(OC)=C1 D52432 [0,0,0,0,1,1|1,0,1]=4 495 B12R1.58 COC1=CC(C#N)=CC(OC)=C1 D51774 [0,0,0,0,1,1|1,0,1]=4 496 B12R1.58 COC1=CC(C=O)=CC(OC)=C1 D67900 [0,0,0,0,1,1|0,0,0]=2 497 B12R1.58 COC1=CC(CBr)=CC(OC)=C1 B50124 [0,0,0,0,1,1|1,0,1]=4 498 B12R1.58 COC1=CC(CN)=CC(OC)=C1 D50359 [0,0,0,0,1,1|1,0,1]=4 499 B12R1.58 COC1=CC(CO)=CC(OC)=C1 D50290 [0,0,0,0,1,1|0,0,2]=4 500 B12R1.58 COC1=CC(OC)=NC(C=O)=N1 D3665 [0,0,0,0,1,1|2,0,0]=4