0 B12R1.77 CNc1ccccc1C(=O)OC HR134254 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.77 COC(=O)C1=C(C#N)C=CC=C1 HR120756 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 HR126638 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.77 COC(=O)C1=C(CBr)C=CC=C1 HR12369 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.77 COC(=O)C1=C(CCl)C=CC=C1 HR124526 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.77 COC(=O)C1=C(OC)C=CC=C1 HR131314 [0,0,0,0,0,0|0,0,0]=0 6 B12R1.77 COC(=O)C1=C(OC)C=NC=C1 HR117216 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.77 COC(=O)C1=C(OC)N=CC=C1 HR110362 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.77 COC(=O)C1=CN=CC=C1OC HR32379 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.77 COC(=O)C1=NC=CC=C1C=O HR106278 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.77 COC(=O)C1=NC=CC=C1OC HR147365 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 HR124684 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.41 CNCC1=C(OC)C=CC=C1 HR144722 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.41 COC1=C(CC#N)C=CC=C1 HR125208 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.41 COC1=C(CCN)C=CC=C1 HR133089 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.41 COC1=C(CCO)C=CC=C1 HR140434 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.41 COC1=C(N=C=O)C=CC=C1 HR132895 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.41 COc1ccccc1CNN HR104512 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.41 COc1ccccc1CON HR104871 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.41 COc1ccccc1C[Mg]Cl HR114622 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 HR110269 [1,0,0,0,0,0|1,0,1]=3 21 B11R1.53 CC(=O)C1=C(C#N)C=CC=C1 HR118739 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.53 CC(=O)C1=C(C=O)C=CC=C1 HR106416 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.53 CCC1=C(B(O)O)C=CC=C1 HR138794 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 HR118156 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.53 CCC1=NC=CC=C1C(=O)O HR118004 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.53 CCC1=NC=CN=C1C(C)=O HR129395 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.53 CNC1=C([N+](=O)[O-])C=CC=C1 HR141882 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.53 COC1=C(B(O)O)C=CC=C1 HR122841 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.53 COC1=C(B(O)O)C=CN=C1 HR32623 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.53 COC1=C(B(O)O)C=NC=C1 HR121053 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.53 COC1=C(B(O)O)C=NC=C1 HR34002 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.53 COC1=C(C(=O)Cl)C=CC=C1 HR130165 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.53 COC1=C(C(=O)O)C=CC=C1 HR105931 [1,0,0,0,0,0|0,0,0]=1 34 B11R1.53 COC1=C(C(=O)O)C=CC=N1 HR131093 [1,0,0,0,0,0|1,0,0]=2 35 B11R1.53 COC1=C(C(=O)O)C=CN=C1 HR10457 [1,0,0,0,0,0|1,0,0]=2 36 B11R1.53 COC1=C(C(C)=O)C=CC=C1 SASA03101 [1,0,0,0,0,0|0,0,0]=1 37 B11R1.53 COC1=C(C(C)=O)C=NC=C1 HR32517 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.53 COC1=C(C(C)C)C=CC=C1 HR155278 [1,0,0,0,0,0|1,0,1]=3 39 B11R1.53 COC1=C(C(C)N)C=CC=C1 HR108714 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.53 COC1=C(C(C)N)C=CC=C1 HR109031 [1,0,0,0,0,0|1,0,1]=3 41 B11R1.53 COC1=C(C(N)=O)C=CC=C1 HR137171 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.53 COC1=C([N+](=O)[O-])C=NC=C1 HR122740 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.53 COC1=CC=CN=C1C(=O)O HR147363 [1,0,0,0,0,0|1,0,0]=2 44 B11R1.53 COC1=CC=CN=C1[N+](=O)[O-] HR128658 [1,0,0,0,0,0|2,0,1]=4 45 B11R1.53 COC1=CC=NC=C1C(=O)O HR32034 [1,0,0,0,0,0|1,0,0]=2 46 B11R1.53 COC1=NC=CC=C1B(O)O HR5046 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.53 COC1=NC=CC=C1C(C)=O HR30289 [1,0,0,0,0,0|1,0,0]=2 48 B11R1.53 COC1=NC=CC=C1[N+](=O)[O-] HR134972 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.53 COC1=NC=CN=C1C(=O)O HR30403 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.53 COc1ccncc1[N+](=O)[O-] HR125971 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.53 CSC1=C(B(O)O)C=CC=C1 HR123107 [1,0,0,0,0,0|1,1,1]=4 52 B11R1.53 CSC1=C(C(=O)O)C=CC=C1 HR112220 [1,0,0,0,0,0|0,1,0]=2 53 B11R1.53 CSC1=C([N+](=O)[O-])C=CC=C1 HR123063 [1,0,0,0,0,0|1,1,1]=4 54 B11R1.53 N#CC1=C(C(=O)Cl)C=CC=C1 HR140147 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.53 N#CC1=C(C(=O)O)C=CC=C1 HR144442 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.53 N#CC1=C(C(=O)O)C=CC=N1 HR33285 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.53 N#CC1=C(C(=O)O)C=CN=C1 HR33531 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.53 N#CC1=C(C(=O)O)C=NC=C1 HR152952 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 HR136121 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.53 O=C(Cl)C1=C(CCl)C=CC=C1 HR138777 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.53 O=C(O)C1=C(CBr)C=CC=C1 HR102598 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.53 O=C(O)C1=C(CCl)C=CC=C1 HR128012 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.53 O=CC1=C(C(=O)O)C=CC=C1 HR125418 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.222 CC1=C(C(=N)NO)C=CC=C1 HR107741 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.222 CC1=C(C(=O)CBr)C=CC=C1 HR146594 [1,0,0,0,0,0|2,0,0]=3 66 B11R1.222 CCC(=O)C1=C(C)C=CC=C1 HR102662 [1,0,0,0,0,0|1,0,0]=2 67 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 HR102022 [1,0,0,0,0,0|2,0,0]=3 68 B11R1.222 CCC(=O)C1=C(F)C=CC=C1 HR123619 [1,0,0,0,0,0|2,0,0]=3 69 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 HR132318 [1,0,0,0,0,0|1,0,0]=2 70 B11R1.222 CCC(C)C1=C(O)C=CC=C1 HR135290 [1,0,0,0,0,0|2,0,1]=4 71 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 HR120290 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 HR143082 [1,0,0,0,0,0|1,1,0]=3 73 B11R1.222 CNC(=O)C1=CC=CN=C1N HR114744 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 HR3956 [1,0,0,0,0,0|1,0,0]=2 75 B11R1.222 COC(=O)C1=C(Br)C=NC=C1 HR113099 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.222 COC(=O)C1=C(Br)N=CC=C1 HR104355 [1,0,0,0,0,0|2,0,0]=3 77 B11R1.222 COC(=O)C1=C(C)C=CN=C1 HR102279 [1,0,0,0,0,0|1,0,0]=2 78 B11R1.222 COC(=O)C1=C(C)C=NC=C1 HR117529 [1,0,0,0,0,0|1,0,0]=2 79 B11R1.222 COC(=O)C1=C(C)N=CC=C1 HR118985 [1,0,0,0,0,0|1,0,0]=2 80 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 HR131154 [1,0,0,0,0,0|1,0,0]=2 81 B11R1.222 COC(=O)C1=C(Cl)C=NC=C1 HR116894 [1,0,0,0,0,0|2,0,0]=3 82 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 HR140247 [1,0,0,0,0,0|2,0,0]=3 83 B11R1.222 COC(=O)C1=C(F)C=CC=C1 HR123467 [1,0,0,0,0,0|1,0,0]=2 84 B11R1.222 COC(=O)C1=C(F)C=NC=C1 HR151157 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.222 COC(=O)C1=C(F)N=CC=C1 HR104283 [1,0,0,0,0,0|2,0,0]=3 86 B11R1.222 COC(=O)C1=C(I)C=CC=C1 HR138423 [1,0,0,0,0,0|1,0,0]=2 87 B11R1.222 COC(=O)C1=C(I)C=NC=C1 HR147362 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.222 COC(=O)C1=C(N)C=NC=C1 HR9760 [1,0,0,0,0,0|2,0,0]=3 89 B11R1.222 COC(=O)C1=C(N)N=CC=C1 HR16778 [1,0,0,0,0,0|2,0,0]=3 90 B11R1.222 COC(=O)C1=C(O)C=NC=C1 HR144250 [1,0,0,0,0,0|1,0,0]=2 91 B11R1.222 COC(=O)C1=CC=CC=C1C HR136739 [1,0,0,0,0,0|0,0,0]=1 92 B11R1.222 COC(=O)C1=CC=CC=C1N HR136079 [1,0,0,0,0,0|1,0,0]=2 93 B11R1.222 COC(=O)C1=CC=CC=C1O HR123095 [1,0,0,0,0,0|0,0,0]=1 94 B11R1.222 COC(=O)C1=CC=CC=C1O HR131277 [1,0,0,0,0,0|0,0,0]=1 95 B11R1.222 COC(=O)C1=CC=CC=C1S HR101714 [1,0,0,0,0,0|0,1,0]=2 96 B11R1.222 COC(=O)C1=CC=CNC1=O HR106531 [1,0,0,0,0,0|1,0,1]=3 97 B11R1.222 COC(=O)C1=CC=COC1=O ESJL02102 [1,0,0,0,0,0|1,0,1]=3 98 B11R1.222 COC(=O)C1=CN=CC=C1Br HR153150 [1,0,0,0,0,0|2,0,0]=3 99 B11R1.222 COC(=O)C1=CN=CC=C1N HR122147 [1,0,0,0,0,0|2,0,0]=3 100 B11R1.222 COC(=O)C1=CN=CC=C1O HR107792 [1,0,0,0,0,0|1,0,0]=2 101 B11R1.222 COC(=O)C1=CN=CN=C1C HR113745 [1,0,0,0,0,0|2,0,0]=3 102 B11R1.222 COC(=O)C1=CN=CN=C1N HR148241 [1,0,0,0,0,0|3,0,0]=4 103 B11R1.222 COC(=O)C1=CN=CN=C1O HR111719 [1,0,0,0,0,0|2,0,0]=3 104 B11R1.222 COC(=O)C1=NC=CC=C1Br HR113410 [1,0,0,0,0,0|2,0,0]=3 105 B11R1.222 COC(=O)C1=NC=CC=C1C HR109173 [1,0,0,0,0,0|1,0,0]=2 106 B11R1.222 COC(=O)C1=NC=CC=C1Cl HR107488 [1,0,0,0,0,0|2,0,0]=3 107 B11R1.222 COC(=O)C1=NC=CC=C1F HR153076 [1,0,0,0,0,0|2,0,0]=3 108 B11R1.222 COC(=O)C1=NC=CC=C1N HR107795 [1,0,0,0,0,0|2,0,0]=3 109 B11R1.222 COC(=O)C1=NC=CC=C1O HR138652 [1,0,0,0,0,0|1,0,0]=2 110 B11R1.222 COC(=O)C1=NC=CN=C1Br HR31741 [1,0,0,0,0,0|3,0,0]=4 111 B11R1.222 COC(=O)C1=NC=CN=C1Cl HR101961 [1,0,0,0,0,0|3,0,0]=4 112 B11R1.222 COC(=O)C1=NC=CN=C1I HR104890 [1,0,0,0,0,0|3,0,0]=4 113 B11R1.222 COC(=O)C1=NC=CN=C1N HR127982 [1,0,0,0,0,0|3,0,0]=4 114 B11R1.222 COC(=O)C1=NC=CN=C1O HR147649 [1,0,0,0,0,0|2,0,0]=3 115 B11R1.222 COC(=O)C1=NC=NC=C1Br HR148109 [1,0,0,0,0,0|3,0,0]=4 116 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 HR132526 [1,0,0,0,0,0|3,0,0]=4 117 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 HR105319 [1,0,0,0,0,0|3,0,0]=4 118 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 HR150266 [1,0,0,0,0,0|3,0,0]=4 119 B11R1.222 NNC(=O)C1=C(F)C=CC=C1 HR113116 [1,0,0,0,0,0|3,0,0]=4 120 B11R1.222 NNC(=O)C1=CC=CC=C1O HR137584 [1,0,0,0,0,0|2,0,0]=3 121 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 HR119979 [1,0,0,0,0,0|2,0,0]=3 122 B11R1.222 O=C(CBr)c1ccccc1Cl HR114861 [1,0,0,0,0,0|3,0,0]=4 123 B11R1.222 O=C(CBr)c1ccccc1F HR105882 [1,0,0,0,0,0|3,0,0]=4 124 B11R1.222 O=C(NO)C1=CC=CC=C1O HR124345 [1,0,0,0,0,0|2,0,0]=3 125 B13R1.107 COC(=O)C1=C(CBr)C(Cl)=CC=C1 HR114244 [0,1,0,0,0,0|2,0,0]=3 126 B13R1.107 COC(=O)C1=C(OC)C(Br)=CC=C1 HR154536 [0,1,0,0,0,0|0,0,0]=1 127 B13R1.107 COC(=O)C1=C(OC)C(Cl)=CC=C1 HR155763 [0,1,0,0,0,0|0,0,0]=1 128 B13R1.107 COC(=O)C1=C(OC)C(F)=CC=C1 HR153873 [0,1,0,0,0,0|0,0,0]=1 129 B13R1.382 CCOC1=C(C(=O)NN)C=CC=C1 HR141515 [0,1,0,0,0,0|2,0,0]=3 130 B13R1.382 CCOC1=C(C(=O)OC)C=CC=C1 HR130484 [0,1,0,0,0,0|0,0,0]=1 131 B13R1.382 CCOC1=NC=CC=C1C(=O)OC HR153111 [0,1,0,0,0,0|1,0,0]=2 132 B13R1.382 COC(=O)C1=C(CC#N)C=CC=C1 HR132967 [0,1,0,0,0,0|1,0,1]=3 133 B13R1.464 CCOC(=O)C1=C(C#N)C=CC=C1 HR139632 [0,1,0,0,0,0|2,0,0]=3 134 B13R1.464 CCOC(=O)C1=C(C=O)C=CC=C1 HR126906 [0,1,0,0,0,0|2,0,0]=3 135 B13R1.464 CCOC(=O)C1=C(CBr)C=CC=C1 HR108121 [0,1,0,0,0,0|2,0,0]=3 136 B13R1.464 CCOC(=O)C1=C(CCl)C=CC=C1 HR128279 [0,1,0,0,0,0|2,0,0]=3 137 B13R1.464 CCOC(=O)C1=C(NC)C=CC=C1 HR148726 [0,1,0,0,0,0|1,0,0]=2 138 B13R1.464 CCOC(=O)C1=C(OC)N=CC=C1 HR153109 [0,1,0,0,0,0|1,0,0]=2 139 B13R1.547 COC(=O)C1=C(B(O)O)C=CC=C1 HR135738 [0,1,0,0,0,0|2,0,0]=3 140 B13R1.547 COC(=O)C1=C([N+](=O)[O-])C=CC=C1 HR139942 [0,1,0,0,0,0|2,0,0]=3 141 B13R1.547 COC(=O)C1=CC=CC=C1C(=O)O HR142858 [0,1,0,0,0,0|2,0,0]=3 142 B13R1.547 COC(=O)C1=CC=NC=C1C(=O)O HR106645 [0,1,0,0,0,0|3,0,0]=4 143 B13R1.547 O=C([O-])C1=CC=CC=C1C(=O)O[O-] HR139291 [0,1,0,0,0,0|3,0,0]=4 144 B13R1.548 COC(=O)C1C=CC=CC1(F)OC HR154052 [0,1,0,0,0,0|0,0,2]=3 145 B13R1.2065 CCC1=C(C(=O)OC)C=CC(Br)=C1 HR154460 [0,1,0,0,0,0|1,0,0]=2 146 B13R1.2065 COC(=O)C1=C(C#N)C=C(Cl)C=C1 HR120664 [0,1,0,0,0,0|2,0,0]=3 147 B13R1.2065 COC(=O)C1=C(CBr)C=C(Br)C=C1 HR139675 [0,1,0,0,0,0|2,0,0]=3 148 B13R1.2065 COC(=O)C1=C(CBr)C=C(Cl)C=C1 HR148674 [0,1,0,0,0,0|2,0,0]=3 149 B13R1.2065 COC(=O)C1=C(OC)C=C(Br)C=C1 HR141416 [0,1,0,0,0,0|0,0,0]=1 150 B13R1.2065 COC(=O)C1=C(OC)C=C(C)C=C1 HR101451 [0,1,0,0,0,0|0,0,0]=1 151 B13R1.2065 COC(=O)C1=C(OC)C=C(Cl)C=C1 HR113760 [0,1,0,0,0,0|0,0,0]=1 152 B13R1.2065 COC(=O)C1=C(OC)C=C(N)C=C1 HR134449 [0,1,0,0,0,0|0,0,0]=1 153 B13R1.2065 COC(=O)C1=C(OC)N=C(Br)C=C1 HR34044 [0,1,0,0,0,0|1,0,0]=2 154 B13R1.2209 COC(=O)C1=C(C#N)C=CC(Br)=C1 HR105744 [0,1,0,0,0,0|2,0,0]=3 155 B13R1.2209 COC(=O)C1=C(C#N)C=CC(Cl)=C1 HR147660 [0,1,0,0,0,0|2,0,0]=3 156 B13R1.2209 COC(=O)C1=C(OC)C=CC(Cl)=C1 HR124230 [0,1,0,0,0,0|0,0,0]=1 157 B13R1.2209 COC(=O)C1=C(OC)C=CC(F)=C1 HR155860 [0,1,0,0,0,0|0,0,0]=1 158 B13R1.2209 COC(=O)C1=C(OC)C=CC(N)=C1 HR119532 [0,1,0,0,0,0|0,0,0]=1 159 B13R1.2209 COC(=O)C1=C(SC)C=CC(F)=C1 HR156559 [0,1,0,0,0,0|0,1,0]=2 160 B13R1.2209 COC(=O)C1=CC(Br)=CN=C1OC HR152617 [0,1,0,0,0,0|1,0,0]=2 161 B13R1.2209 COC(=O)C1=CC(Cl)=CN=C1OC HR152723 [0,1,0,0,0,0|1,0,0]=2 162 B13R1.2209 COC(=O)C1=CC(F)=NC=C1OC HR156459 [0,1,0,0,0,0|1,0,0]=2 163 B13R1.2357 COC(=O)C1=C(Br)C=CC=C1OC HR154543 [0,1,0,0,0,0|0,0,0]=1 164 B13R1.2357 COC(=O)C1=C(CBr)C=CC=C1Cl HR104715 [0,1,0,0,0,0|2,0,0]=3 165 B13R1.2357 COC(=O)C1=C(F)C=CC=C1OC HR153834 [0,1,0,0,0,0|0,0,0]=1 166 B13R1.2357 COC(=O)C1=C(N)C=NC=C1OC HR121304 [0,1,0,0,0,0|1,0,0]=2 167 B11R0.41 C=CCC(C(=O)OC)C(=O)OC HR135298 [0,0,1,0,0,0|1,0,2]=4 168 B11R0.41 COC=C(C(=O)OC)C(=O)OC HR126934 [0,0,1,0,0,0|2,0,1]=4 169 B13R2.32 O=C1C2=CC=CC=C2CCC1Br ECCQ01308 [0,0,0,1,0,0|3,0,0]=4 170 B13R2.371 CC1=NNC(=O)C2=CC=CC=C21 HR109121 [0,0,0,1,0,0|3,0,0]=4 171 B13R2.371 CC1CCC(=O)C2=CC=CC=C21 HR107638 [0,0,0,1,0,0|2,0,0]=3 172 B13R2.371 O=C1CCC(O)C2=CC=CC=C12 HR108256 [0,0,0,1,0,0|3,0,0]=4 173 B13R2.582 COC1=C2C(=O)CCC2=CC=C1 HR114784 [0,0,0,1,0,0|1,0,0]=2 174 B13R2.582 COC1=CC=CC2=C1C(N)=NO2 HR111861 [0,0,0,1,0,0|3,0,0]=4 175 B13R2.582 N#CC1=CC=CC2=C1C(=O)CC2 HR106154 [0,0,0,1,0,0|3,0,0]=4 176 B13R2.1613 COC1=CC=CC2=CC=CC=C21 HR136390 [0,0,0,1,0,0|2,0,1]=4 177 B13R2.1613 COC1=CC=NC2=CC=CC=C21 HR108763 [0,0,0,1,0,0|2,0,1]=4 178 B13R2.1613 COC1=CN=CC2=CC=CC=C21 HR108843 [0,0,0,1,0,0|3,0,0]=4 179 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 HR144312 [0,0,0,1,0,0|3,0,0]=4 180 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1=O HR128127 [0,0,0,1,0,0|3,0,0]=4 181 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 HR125755 [0,0,0,1,0,0|2,0,0]=3 182 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 HR110952 [0,0,0,1,0,0|2,0,0]=3 183 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 HR109025 [0,0,0,1,0,0|2,0,0]=3 184 B13R2.5252 O=C1NCCNC2=C1C=CC=C2 HR147131 [0,0,0,1,0,0|2,0,0]=3 185 B13R2.5252 O=C1NCCOC2=C1C=CC=C2 HR144523 [0,0,0,1,0,0|1,0,0]=2 186 B11R1.59 COC(=O)C1=C(C=O)C=CS1 HR33932 [0,0,0,0,1,0|3,0,0]=4 187 B11R1.59 COC(=O)C1=C(CBr)C=CS1 HR111292 [0,0,0,0,1,0|3,0,0]=4 188 B11R1.59 COC(=O)C1=C(CBr)OC=C1 HR105420 [0,0,0,0,1,0|3,0,0]=4 189 B11R1.59 COC(=O)C1=C(CN)OC=C1 HR119700 [0,0,0,0,1,0|3,0,0]=4 190 B11R1.59 COC(=O)C1=C(CO)OC=C1 HR103953 [0,0,0,0,1,0|3,0,0]=4 191 B11R1.59 COC(=O)C1=C(OC)C=CS1 HR114539 [0,0,0,0,1,0|1,0,0]=2 192 B13R1.91 CNC(C)Cc1ccccc1OC HR133091 [0,0,0,0,0,1|2,0,1]=4 193 B13R1.91 COC(=O)CC1=C(C=O)C=CC=C1 HR112415 [0,0,0,0,0,1|2,0,0]=3 194 B13R1.91 COC1=C(NC(=O)CBr)C=CC=C1 HR109999 [0,0,0,0,0,1|2,0,0]=3 195 B13R1.91 COC1=C(NC(=O)CCl)C=CC=C1 HR117151 [0,0,0,0,0,1|2,0,0]=3 196 B10R1.4 CCNC1=CC=CC=C1C HR132311 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.4 CCOC1=C(O)C=CC=C1 HR134039 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.4 COCC1=C(Br)C=CC=C1 HR33821 [2,0,0,0,0,0|1,0,1]=4 199 B10R1.4 O\N=C\C1=CC=CC=C1O HR104932 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.20 C#Cc1ccccc1OC HR116652 [2,0,0,0,0,0|0,0,2]=4 201 B10R1.20 CCC1=C(C=O)C=CC=C1 HR3074 [2,0,0,0,0,0|1,0,0]=3 202 B10R1.20 CCC1=C(CO)C=CC=C1 HR154385 [2,0,0,0,0,0|1,0,1]=4 203 B10R1.20 CNC1=NC=CC=C1C=O HR101599 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.20 COC1=C(C#N)C=CC=C1 HR137785 [2,0,0,0,0,0|1,0,1]=4 205 B10R1.20 COC1=C(C=O)C=CC=C1 HR138920 [2,0,0,0,0,0|0,0,0]=2 206 B10R1.20 COC1=C(C=O)C=CN=C1 HR32565 [2,0,0,0,0,0|1,0,0]=3 207 B10R1.20 COC1=C(CBr)C=CC=C1 HR103693 [2,0,0,0,0,0|1,0,1]=4 208 B10R1.20 COC1=C(CCl)C=CC=C1 HR4651 [2,0,0,0,0,0|1,0,1]=4 209 B10R1.20 COC1=C(CN)C=CC=C1 HR123771 [2,0,0,0,0,0|1,0,1]=4 210 B10R1.20 COC1=C(CO)C=CC=C1 HR138804 [2,0,0,0,0,0|0,0,1]=3 211 B10R1.20 COC1=C(NN)C=CC=C1 HR118707 [2,0,0,0,0,0|2,0,0]=4 212 B10R1.20 COC1=C(OC)C=CC=C1 IVSA07604 [2,0,0,0,0,0|0,0,0]=2 213 B10R1.20 COC1=C(SC)C=CC=C1 HR140362 [2,0,0,0,0,0|0,1,0]=3 214 B10R1.20 COC1=C([Mg]Br)C=CC=C1 HR110211 [2,0,0,0,0,0|2,0,0]=4 215 B10R1.20 COC1=CC=CN=C1C=O HR109982 [2,0,0,0,0,0|1,0,0]=3 216 B10R1.20 COC1=CC=CN=C1OC HR126661 [2,0,0,0,0,0|1,0,0]=3 217 B10R1.20 COC1=CC=NC=C1C=O HR32629 [2,0,0,0,0,0|1,0,0]=3 218 B10R1.20 COC1=NC=CC=C1C=O HR138590 [2,0,0,0,0,0|1,0,0]=3 219 B10R1.20 CSC1=C(C=O)C=CC=C1 HR100305 [2,0,0,0,0,0|0,1,0]=3 220 B10R1.20 N#CC1=C(C=O)C=CC=C1 HR125181 [2,0,0,0,0,0|2,0,0]=4 221 B10R1.20 O=CC1=CC=CC=C1C=O HR135204 [2,0,0,0,0,0|2,0,0]=4 222 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 HR126524 [2,0,0,0,0,0|1,0,0]=3 223 B10R1.61 CC(=O)C1=C(Cl)C=NC=C1 HR112596 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.61 CC(=O)C1=C(F)C=CC=C1 HR127569 [2,0,0,0,0,0|1,0,0]=3 225 B10R1.61 CC(=O)C1=C(F)C=NC=C1 HR32706 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.61 CC(=O)C1=C(I)C=CC=C1 HR141132 [2,0,0,0,0,0|1,0,0]=3 227 B10R1.61 CC(=O)C1=C(N)C=NC=C1 HR135805 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.61 CC(=O)C1=C(O)C=CC=C1 HR100975 [2,0,0,0,0,0|0,0,0]=2 229 B10R1.61 CC(=O)C1=CC=CN=C1Br HR121467 [2,0,0,0,0,0|2,0,0]=4 230 B10R1.61 CC(=O)C1=CC=CN=C1C HR119485 [2,0,0,0,0,0|1,0,0]=3 231 B10R1.61 CC(=O)C1=CC=CN=C1Cl HR14410 [2,0,0,0,0,0|2,0,0]=4 232 B10R1.61 CC(=O)C1=CC=CN=C1F HR105702 [2,0,0,0,0,0|2,0,0]=4 233 B10R1.61 CC(=O)C1=CC=CN=C1N HR109973 [2,0,0,0,0,0|2,0,0]=4 234 B10R1.61 CC(=O)C1=CC=CNC1=O HR33876 [2,0,0,0,0,0|1,0,1]=4 235 B10R1.61 CC(=O)C1=NC=CC=C1Cl HR33494 [2,0,0,0,0,0|2,0,0]=4 236 B10R1.61 CC(=O)C1=NC=CC=C1F HR143958 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.61 CC(=O)C1=NC=CC=C1O HR105092 [2,0,0,0,0,0|1,0,0]=3 238 B10R1.61 CC(=O)C1=NC=CN=C1C HR129146 [2,0,0,0,0,0|2,0,0]=4 239 B10R1.61 CC(=O)c1ccccc1C HR134249 [2,0,0,0,0,0|0,0,0]=2 240 B10R1.61 CC(=O)c1ccccc1N HR124033 [2,0,0,0,0,0|1,0,0]=3 241 B10R1.61 CC(C)C1=C(O)C=CC=C1 HR154250 [2,0,0,0,0,0|1,0,1]=4 242 B10R1.61 CC1=C(B(O)O)C=CC=C1 HR122575 [2,0,0,0,0,0|1,0,1]=4 243 B10R1.61 CC1=C(C(=N)N)C=CC=C1 HR119806 [2,0,0,0,0,0|2,0,0]=4 244 B10R1.61 CC1=C(C(=O)O)C=CC=N1 HR2458 [2,0,0,0,0,0|1,0,0]=3 245 B10R1.61 CC1=C(C(=O)O)C=CN=C1 HR112036 [2,0,0,0,0,0|1,0,0]=3 246 B10R1.61 CC1=C(C(=O)O)N=NC=C1 HR105852 [2,0,0,0,0,0|2,0,0]=4 247 B10R1.61 CC1=C(C(C)N)C=CC=C1 HR112822 [2,0,0,0,0,0|1,0,1]=4 248 B10R1.61 CC1=C(C(C)N)C=CC=C1 HR116184 [2,0,0,0,0,0|1,0,1]=4 249 B10R1.61 CC1=C(C(N)=O)C=CN=C1 HR112685 [2,0,0,0,0,0|2,0,0]=4 250 B10R1.61 CC1=C(C(N)=O)C=NC=C1 HR118358 [2,0,0,0,0,0|2,0,0]=4 251 B10R1.61 CC1=C(C(N)=S)C=CC=C1 HR117913 [2,0,0,0,0,0|1,1,0]=4 252 B10R1.61 CC1=CC=CC=C1C(=O)Cl HR133150 [2,0,0,0,0,0|1,0,0]=3 253 B10R1.61 CC1=CC=CC=C1C(=O)O HR15431 [2,0,0,0,0,0|0,0,0]=2 254 B10R1.61 CC1=CC=CC=C1N(C)C HR127212 [2,0,0,0,0,0|2,0,0]=4 255 B10R1.61 CC1=CC=CN=C1C(=O)O HR126365 [2,0,0,0,0,0|1,0,0]=3 256 B10R1.61 CC1=CC=NC=C1C(=O)O HR101960 [2,0,0,0,0,0|1,0,0]=3 257 B10R1.61 CC1=CC=NC=C1C(=O)O HR32399 [2,0,0,0,0,0|1,0,0]=3 258 B10R1.61 CC1=NC=CC=C1C(N)=O HR116737 [2,0,0,0,0,0|2,0,0]=4 259 B10R1.61 CC1=NC=CN=C1C(=O)O HR103342 [2,0,0,0,0,0|2,0,0]=4 260 B10R1.61 Cc1ccccc1C(C)N HR113136 [2,0,0,0,0,0|1,0,1]=4 261 B10R1.61 Cc1ccccc1C(N)=O HR113826 [2,0,0,0,0,0|1,0,0]=3 262 B10R1.61 Cc1cccnc1C(=O)O HR101642 [2,0,0,0,0,0|1,0,0]=3 263 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 HR140333 [2,0,0,0,0,0|2,0,0]=4 264 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 HR131103 [2,0,0,0,0,0|2,0,0]=4 265 B10R1.61 NC(=O)C1=C(F)C=CC=C1 HR106582 [2,0,0,0,0,0|2,0,0]=4 266 B10R1.61 NC(=O)C1=C(I)C=CC=C1 HR143474 [2,0,0,0,0,0|2,0,0]=4 267 B10R1.61 NC(=O)C1=C(N)C=CC=C1 HR132086 [2,0,0,0,0,0|2,0,0]=4 268 B10R1.61 NC(=O)C1=CC=CC=C1O HR125402 [2,0,0,0,0,0|1,0,0]=3 269 B10R1.61 NC(=O)C1=NC=CC=C1O HR135388 [2,0,0,0,0,0|2,0,0]=4 270 B10R1.61 NC1=C(C(=O)O)C=CC=N1 HR1216 [2,0,0,0,0,0|2,0,0]=4 271 B10R1.61 NC1=C(C(=O)O)C=CN=C1 HR118193 [2,0,0,0,0,0|2,0,0]=4 272 B10R1.61 NC1=C(C(=O)O)C=CN=C1 HR2420 [2,0,0,0,0,0|2,0,0]=4 273 B10R1.61 NC1=CC=CC=C1C(=O)O HR150880 [2,0,0,0,0,0|1,0,0]=3 274 B10R1.61 NC1=CC=CN=C1C(=O)O HR2015 [2,0,0,0,0,0|2,0,0]=4 275 B10R1.61 NC1=CC=NC=C1C(=O)O HR131231 [2,0,0,0,0,0|2,0,0]=4 276 B10R1.61 NC1=CC=NC=C1C(=O)O HR135111 [2,0,0,0,0,0|2,0,0]=4 277 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 HR132584 [2,0,0,0,0,0|2,0,0]=4 278 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 HR140717 [2,0,0,0,0,0|2,0,0]=4 279 B10R1.61 O=C(Cl)C1=C(O)C=CC=C1 HR123739 [2,0,0,0,0,0|1,0,0]=3 280 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 HR3739 [2,0,0,0,0,0|1,0,0]=3 281 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 HR13576 [2,0,0,0,0,0|2,0,0]=4 282 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 HR125435 [2,0,0,0,0,0|1,0,0]=3 283 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 HR138538 [2,0,0,0,0,0|2,0,0]=4 284 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 HR133112 [2,0,0,0,0,0|2,0,0]=4 285 B10R1.61 O=C(O)C1=C(F)C=CC=C1 HR131263 [2,0,0,0,0,0|1,0,0]=3 286 B10R1.61 O=C(O)C1=C(F)C=CN=C1 HR10434 [2,0,0,0,0,0|2,0,0]=4 287 B10R1.61 O=C(O)C1=C(F)C=NC=C1 HR3549 [2,0,0,0,0,0|2,0,0]=4 288 B10R1.61 O=C(O)C1=C(F)N=CC=C1 HR122975 [2,0,0,0,0,0|2,0,0]=4 289 B10R1.61 O=C(O)C1=C(I)C=CC=C1 HR3924 [2,0,0,0,0,0|1,0,0]=3 290 B10R1.61 O=C(O)C1=C(I)C=NC=C1 HR102674 [2,0,0,0,0,0|2,0,0]=4 291 B10R1.61 O=C(O)C1=C(I)N=CC=C1 HR33323 [2,0,0,0,0,0|2,0,0]=4 292 B10R1.61 O=C(O)C1=C(O)C=NC=C1 HR16741 [2,0,0,0,0,0|1,0,0]=3 293 B10R1.61 O=C(O)C1=C(O)N=CC=C1 HR2597 [2,0,0,0,0,0|1,0,0]=3 294 B10R1.61 O=C(O)C1=C(S)N=CC=C1 HR125258 [2,0,0,0,0,0|1,1,0]=4 295 B10R1.61 O=C(O)C1=CC=CC=C1O HR100716 [2,0,0,0,0,0|0,0,0]=2 296 B10R1.61 O=C(O)C1=CC=CC=C1O HR125538 [2,0,0,0,0,0|0,0,0]=2 297 B10R1.61 O=C(O)C1=CC=CC=C1O HR125657 [2,0,0,0,0,0|0,0,0]=2 298 B10R1.61 O=C(O)C1=CC=CC=C1S HR127782 [2,0,0,0,0,0|0,1,0]=3 299 B10R1.61 O=C(O)C1=CC=CN=C1Br HR5071 [2,0,0,0,0,0|2,0,0]=4 300 B10R1.61 O=C(O)C1=CN=CC=C1Br HR30049 [2,0,0,0,0,0|2,0,0]=4 301 B10R1.61 O=C(O)C1=CN=CC=C1Cl HR136495 [2,0,0,0,0,0|2,0,0]=4 302 B10R1.61 O=C(O)C1=CN=CC=C1I HR32033 [2,0,0,0,0,0|2,0,0]=4 303 B10R1.61 O=C(O)C1=CN=CN=C1O HR148280 [2,0,0,0,0,0|2,0,0]=4 304 B10R1.61 O=C(O)C1=NC=CC=C1Br HR130112 [2,0,0,0,0,0|2,0,0]=4 305 B10R1.61 O=C(O)C1=NC=CC=C1F HR5140 [2,0,0,0,0,0|2,0,0]=4 306 B10R1.61 O=C(O)C1=NC=CC=C1I HR147787 [2,0,0,0,0,0|2,0,0]=4 307 B10R1.61 O=C(O)C1=NC=CC=C1O HR129856 [2,0,0,0,0,0|1,0,0]=3 308 B10R1.61 O=C(O)C1=NC=CN=C1O HR8870 [2,0,0,0,0,0|2,0,0]=4 309 B10R1.61 O=C(O)c1cccnc1Cl HR110156 [2,0,0,0,0,0|2,0,0]=4 310 B10R1.61 O=C(O)c1ncccc1Cl HR132226 [2,0,0,0,0,0|2,0,0]=4 311 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 HR144253 [2,0,0,0,0,0|1,0,1]=4 312 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 HR105411 [2,0,0,0,0,0|0,0,1]=3 313 B10R1.61 O=C([O-])C1=CC=CC=C1O HR132880 [2,0,0,0,0,0|0,0,1]=3 314 B10R1.61 O=C([O-])C1=CC=CC=C1O HR133063 [2,0,0,0,0,0|0,0,1]=3 315 B10R1.61 O=C([O-])C1=CC=CC=C1O HR140036 [2,0,0,0,0,0|0,0,1]=3 316 B10R1.61 O=C([O-])C1=CC=CC=C1O HR140181 [2,0,0,0,0,0|0,0,1]=3 317 B10R1.61 O=C([O-])C1=CC=CC=C1O HR143915 [2,0,0,0,0,0|0,0,1]=3 318 B10R1.61 O=C([O-])c1ccccc1O HR133808 [2,0,0,0,0,0|0,0,1]=3 319 B10R1.61 O=C([O-])c1ccccc1O HR143157 [2,0,0,0,0,0|0,0,1]=3 320 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 HR133322 [2,0,0,0,0,0|1,0,1]=4 321 B10R1.61 OB(O)C1=C(O)C=CC=C1 HR116289 [2,0,0,0,0,0|1,0,1]=4 322 B10R1.61 OC1=CC=CC=C1C(=S)S HR143624 [2,0,0,0,0,0|0,2,0]=4 323 B10R1.15 C#CC(=O)C1=CC=CC=C1 HR112867 [2,0,0,0,0,0|1,0,1]=4 324 B10R1.15 C=CC(=O)C1=CC=CC=C1 HR110349 [2,0,0,0,0,0|1,0,1]=4 325 B10R1.15 CCC(=O)C1=CC=CN=C1 HR113623 [2,0,0,0,0,0|2,0,0]=4 326 B10R1.15 CNC(=O)C1=CC=CC=C1 HR142749 [2,0,0,0,0,0|1,0,0]=3 327 B10R1.15 CNC(=O)C1=CN=CC=C1 HR145172 [2,0,0,0,0,0|2,0,0]=4 328 B10R1.15 COC(=O)C1=CC=NC=C1 HR132138 [2,0,0,0,0,0|1,0,0]=3 329 B10R1.15 COC(=O)C1=CN=CC=C1 HR133976 [2,0,0,0,0,0|1,0,0]=3 330 B10R1.15 COC(=O)C1=CN=CN=C1 HR112795 [2,0,0,0,0,0|2,0,0]=4 331 B10R1.15 COC(=O)C1=CN=NC=C1 HR148442 [2,0,0,0,0,0|2,0,0]=4 332 B10R1.15 COC(=O)C1=NC=CC=C1 HR128455 [2,0,0,0,0,0|1,0,0]=3 333 B10R1.15 COC(=O)C1=NC=CC=N1 HR124842 [2,0,0,0,0,0|2,0,0]=4 334 B10R1.15 COC(=O)C1=NC=CN=C1 HR127231 [2,0,0,0,0,0|2,0,0]=4 335 B10R1.15 COC(=O)C1=NC=NC=C1 HR114041 [2,0,0,0,0,0|2,0,0]=4 336 B10R1.15 N#CC(=O)C1=CC=CC=C1 HR142553 [2,0,0,0,0,0|2,0,0]=4 337 B10R1.15 NCC(=O)C1=CC=CC=C1 HR122484 [2,0,0,0,0,0|2,0,0]=4 338 B10R1.15 NCC(=O)C1=CC=CC=C1 HR125421 [2,0,0,0,0,0|2,0,0]=4 339 B10R1.15 NCC(=O)C1=CC=CC=C1 HR136963 [2,0,0,0,0,0|2,0,0]=4 340 B10R1.15 NNC(=O)C1=CC=CC=C1 HR124238 [2,0,0,0,0,0|2,0,0]=4 341 B10R1.15 O=C(CCl)C1=CC=CC=C1 HR3264 [2,0,0,0,0,0|2,0,0]=4 342 B10R1.15 O=C(CF)C1=CC=CC=C1 HR146967 [2,0,0,0,0,0|2,0,0]=4 343 B10R1.15 O=C(CO)C1=CC=CC=C1 HR130474 [2,0,0,0,0,0|2,0,0]=4 344 B10R1.15 O=C(NO)C1=CC=CC=C1 HR107221 [2,0,0,0,0,0|2,0,0]=4 345 B10R1.15 O=CC(=O)C1=CC=CC=C1 HR101665 [2,0,0,0,0,0|2,0,0]=4 346 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 HR135071 [1,1,0,0,0,0|1,0,1]=4 347 B12R1.75 COC1=C(OC(C)=O)C=CC=C1 HR100888 [1,1,0,0,0,0|2,0,0]=4 348 B12R1.121 COC1=C(OCCN)C=CC=C1 HR128978 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.121 COC1=C(OCCN)C=CC=C1 HR129242 [1,1,0,0,0,0|2,0,0]=4 350 B12R1.121 COC1=C(\C=C\C=O)C=CC=C1 HR127943 [1,1,0,0,0,0|1,0,1]=4 351 B12R1.121 COCOC1=C(OC)C=CC=C1 HR155304 [1,1,0,0,0,0|0,0,1]=3 352 B12R1.169 CCOC1=C(OCC)C=CC=C1 HR122356 [1,1,0,0,0,0|2,0,0]=4 353 B12R1.46 COC1=C(B(O)O)C=C(Br)C=C1 HR119507 [1,1,0,0,0,0|1,0,1]=4 354 B12R1.46 COC1=C(B(O)O)C=C(C)C=C1 HR32868 [1,1,0,0,0,0|1,0,1]=4 355 B12R1.46 COC1=C(B(O)O)C=C(Cl)C=C1 HR31214 [1,1,0,0,0,0|1,0,1]=4 356 B12R1.46 COC1=C(B(O)O)C=C(F)C=C1 HR122942 [1,1,0,0,0,0|1,0,1]=4 357 B12R1.46 COC1=C(B(O)O)C=C(O)C=C1 HR151537 [1,1,0,0,0,0|1,0,1]=4 358 B12R1.46 COC1=C(C(=O)Cl)C=C(Cl)C=C1 HR126480 [1,1,0,0,0,0|1,0,0]=3 359 B12R1.46 COC1=C(C(=O)O)C=C(Br)C=C1 HR127220 [1,1,0,0,0,0|0,0,0]=2 360 B12R1.46 COC1=C(C(=O)O)C=C(Br)C=N1 HR16564 [1,1,0,0,0,0|1,0,0]=3 361 B12R1.46 COC1=C(C(=O)O)C=C(C)C=C1 HR116439 [1,1,0,0,0,0|0,0,0]=2 362 B12R1.46 COC1=C(C(=O)O)C=C(Cl)C=C1 HR123972 [1,1,0,0,0,0|0,0,0]=2 363 B12R1.46 COC1=C(C(=O)O)C=C(Cl)C=N1 HR112800 [1,1,0,0,0,0|1,0,0]=3 364 B12R1.46 COC1=C(C(=O)O)C=C(F)C=C1 ERSA02901 [1,1,0,0,0,0|0,0,0]=2 365 B12R1.46 COC1=C(C(=O)O)C=C(F)C=N1 HR137036 [1,1,0,0,0,0|1,0,0]=3 366 B12R1.46 COC1=C(C(=O)O)C=C(O)C=C1 HR154220 [1,1,0,0,0,0|0,0,0]=2 367 B12R1.46 COC1=C(C(C)=O)C=C(Cl)C=C1 HR32507 [1,1,0,0,0,0|0,0,0]=2 368 B12R1.46 COC1=C(C(C)C)C=C(Br)C=C1 HR154320 [1,1,0,0,0,0|1,0,1]=4 369 B12R1.46 COC1=C([N+](=O)[O-])C=C(Br)C=C1 TOSA04601 [1,1,0,0,0,0|1,0,1]=4 370 B12R1.46 COC1=C([N+](=O)[O-])C=C(C)C=C1 HR133656 [1,1,0,0,0,0|1,0,1]=4 371 B12R1.46 COC1=C([N+](=O)[O-])C=C(Cl)C=C1 HR128470 [1,1,0,0,0,0|1,0,1]=4 372 B12R1.46 COC1=C([N+](=O)[O-])C=C(F)C=C1 HR135722 [1,1,0,0,0,0|1,0,1]=4 373 B12R1.46 COC1=C([N+](=O)[O-])C=C(I)C=C1 HR118798 [1,1,0,0,0,0|1,0,1]=4 374 B12R1.46 COC1=C([N+](=O)[O-])C=C(N)C=C1 HR127579 [1,1,0,0,0,0|1,0,1]=4 375 B12R1.46 COC1=C([N+](=O)[O-])C=C(O)C=C1 HR20534 [1,1,0,0,0,0|1,0,1]=4 376 B12R1.46 COC1=CN=C(C)N=C1C(=O)O HR107220 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.46 COC1=CN=C(F)C=C1C(=O)O HR156553 [1,1,0,0,0,0|1,0,0]=3 378 B12R1.46 CSC1=C(C(=O)O)C=C(Cl)C=C1 HR154482 [1,1,0,0,0,0|0,1,0]=3 379 B12R1.46 CSC1=C(C(=O)O)C=C(F)C=C1 HR151875 [1,1,0,0,0,0|0,1,0]=3 380 B12R1.46 CSC1=NC=C(C)C=C1C(=O)O HR156396 [1,1,0,0,0,0|1,1,0]=4 381 B12R1.46 N#CC1=C(C(=O)O)C=C(Br)C=C1 HR153607 [1,1,0,0,0,0|2,0,0]=4 382 B12R1.46 N#CC1=C(C(=O)O)C=C(F)C=C1 HR116911 [1,1,0,0,0,0|2,0,0]=4 383 B12R1.57 CCC1=C(C(=O)O)C=CC(Br)=C1 HR154198 [1,1,0,0,0,0|1,0,0]=3 384 B12R1.57 CNC1=C(C(=O)O)C=CC(F)=C1 HR151250 [1,1,0,0,0,0|1,0,0]=3 385 B12R1.57 COC1=C(B(O)O)C=CC(Br)=C1 HR151626 [1,1,0,0,0,0|1,0,1]=4 386 B12R1.57 COC1=C(B(O)O)C=CC(C)=C1 HR31614 [1,1,0,0,0,0|1,0,1]=4 387 B12R1.57 COC1=C(B(O)O)C=CC(Cl)=C1 HR31602 [1,1,0,0,0,0|1,0,1]=4 388 B12R1.57 COC1=C(B(O)O)C=CC(F)=C1 HR31215 [1,1,0,0,0,0|1,0,1]=4 389 B12R1.57 COC1=C(B(O)O)C=CC(O)=C1 HR152258 [1,1,0,0,0,0|1,0,1]=4 390 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=C1 HR114917 [1,1,0,0,0,0|0,0,0]=2 391 B12R1.57 COC1=C(C(=O)O)C=CC(C)=C1 HR116762 [1,1,0,0,0,0|0,0,0]=2 392 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 HR122144 [1,1,0,0,0,0|0,0,0]=2 393 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=N1 HR30711 [1,1,0,0,0,0|1,0,0]=3 394 B12R1.57 COC1=C(C(=O)O)C=CC(F)=C1 HR120548 [1,1,0,0,0,0|0,0,0]=2 395 B12R1.57 COC1=C(C(=O)O)C=CC(F)=N1 HR30419 [1,1,0,0,0,0|1,0,0]=3 396 B12R1.57 COC1=C(C(=O)O)C=CC(O)=C1 HR31986 [1,1,0,0,0,0|0,0,0]=2 397 B12R1.57 COC1=C([N+](=O)[O-])C=CC(Br)=C1 HR32072 [1,1,0,0,0,0|1,0,1]=4 398 B12R1.57 COC1=C([N+](=O)[O-])C=CC(Cl)=C1 HR141796 [1,1,0,0,0,0|1,0,1]=4 399 B12R1.57 COC1=C([N+](=O)[O-])C=CC(F)=C1 HR131987 [1,1,0,0,0,0|1,0,1]=4 400 B12R1.57 COC1=C([N+](=O)[O-])C=CC(O)=C1 HR113913 [1,1,0,0,0,0|1,0,1]=4 401 B12R1.57 COC1=CC(Cl)=NC=C1C(=O)O HR147544 [1,1,0,0,0,0|1,0,0]=3 402 B12R1.57 COc1cc(F)ccc1C(C)=O HR130682 [1,1,0,0,0,0|0,0,0]=2 403 B12R1.76 COC1=C(S(=O)(=O)Cl)C=CC=C1 HR119920 [1,1,0,0,0,0|1,0,1]=4 404 B12R1.76 COC1=C(S(N)(=O)=O)C=CC=C1 HR108571 [1,1,0,0,0,0|1,0,1]=4 405 B12R1.87 CCC1=C(C(=O)O)C=CC=C1Br HR109512 [1,1,0,0,0,0|1,0,0]=3 406 B12R1.87 COC1=C(B(O)O)C=CC=C1Br HR152240 [1,1,0,0,0,0|1,0,1]=4 407 B12R1.87 COC1=C(B(O)O)C=CC=C1C HR32163 [1,1,0,0,0,0|1,0,1]=4 408 B12R1.87 COC1=C(B(O)O)C=CC=C1F HR1849 [1,1,0,0,0,0|1,0,1]=4 409 B12R1.87 COC1=C(B(O)O)C=CC=C1O HR156366 [1,1,0,0,0,0|1,0,1]=4 410 B12R1.87 COC1=C(Br)C=CC=C1[N+](=O)[O-] HR118711 [1,1,0,0,0,0|1,0,1]=4 411 B12R1.87 COC1=C(C(=O)O)C=CC=C1Br HR104839 [1,1,0,0,0,0|0,0,0]=2 412 B12R1.87 COC1=C(C(=O)O)C=CC=C1C HR117084 [1,1,0,0,0,0|0,0,0]=2 413 B12R1.87 COC1=C(C(=O)O)C=CC=C1Cl HR118028 [1,1,0,0,0,0|0,0,0]=2 414 B12R1.87 COC1=C(C(=O)O)C=CC=C1F HR32088 [1,1,0,0,0,0|0,0,0]=2 415 B12R1.87 COC1=C(C(=O)O)C=CC=C1N HR31681 [1,1,0,0,0,0|0,0,0]=2 416 B12R1.87 COC1=C(C(=O)O)C=CC=C1O HR154661 [1,1,0,0,0,0|0,0,0]=2 417 B12R1.87 COC1=C(C(C)=O)C=CC=C1Br HR32508 [1,1,0,0,0,0|0,0,0]=2 418 B12R1.87 COC1=C(C(C)=O)C=CC=C1O HR33329 [1,1,0,0,0,0|0,0,0]=2 419 B12R1.87 COC1=C(F)C=CC=C1[N+](=O)[O-] HR107109 [1,1,0,0,0,0|1,0,1]=4 420 B12R1.87 CSC1=C(C(=O)O)C=CC=C1Br HR154011 [1,1,0,0,0,0|0,1,0]=3 421 B12R1.87 CSC1=C(C(=O)O)C=CC=C1F HR155215 [1,1,0,0,0,0|0,1,0]=3 422 B12R1.261 CC(=O)C1=C(B(O)O)C=CC=C1 HR138795 [1,1,0,0,0,0|2,0,0]=4 423 B12R1.261 CC(=O)C1=C(C(=O)O)C=CC=C1 HR117556 [1,1,0,0,0,0|1,0,0]=3 424 B12R1.261 CC(=O)C1=C(C(C)=O)C=CC=C1 HR144501 [1,1,0,0,0,0|1,0,0]=3 425 B12R1.261 CC(=O)C1=NC=CC=C1C(=O)O HR133817 [1,1,0,0,0,0|2,0,0]=4 426 B12R1.261 CC(C)C1=C(C(=O)O)C=CC=C1 HR112677 [1,1,0,0,0,0|1,0,0]=3 427 B12R1.261 CN(C)C1=C(C(=O)O)C=CC=C1 HR155216 [1,1,0,0,0,0|1,0,0]=3 428 B12R1.261 O=C(O)C1=C(B(O)O)C=CC=C1 HR32855 [1,1,0,0,0,0|2,0,0]=4 429 B12R1.261 O=C(O)C1=C(I(=O)=O)C=CC=C1 HR133598 [1,1,0,0,0,0|2,0,0]=4 430 B12R1.261 O=C(O)C1=C([N+](=O)[O-])C=CC=C1 HR134502 [1,1,0,0,0,0|2,0,0]=4 431 B12R1.261 O=C(O)C1=CC=CC=C1C(=O)O HR117552 [1,1,0,0,0,0|2,0,0]=4 432 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)O HR122386 [1,1,0,0,0,0|2,0,0]=4 433 B12R1.437 CCC1=CC=CC(N)=C1C(=O)O HR106027 [1,1,0,0,0,0|1,0,0]=3 434 B12R1.437 COC1=C(C(=O)O)C(C)=CC=C1 HR104944 [1,1,0,0,0,0|0,0,0]=2 435 B12R1.437 COC1=C(C(C)=O)C(C)=CC=C1 HR33183 [1,1,0,0,0,0|0,0,0]=2 436 B12R1.437 COC1=C([N+](=O)[O-])C(Br)=CC=C1 HR140657 [1,1,0,0,0,0|1,0,1]=4 437 B12R1.437 COC1=C([N+](=O)[O-])C(C)=CC=C1 HR144510 [1,1,0,0,0,0|1,0,1]=4 438 B12R1.437 COC1=CC=CC(Br)=C1C(=O)O HR32093 [1,1,0,0,0,0|0,0,0]=2 439 B12R1.437 COC1=CC=CC(Br)=C1C(C)=O HR32511 [1,1,0,0,0,0|0,0,0]=2 440 B12R1.437 COC1=CC=CC(Cl)=C1B(O)O HR30931 [1,1,0,0,0,0|1,0,1]=4 441 B12R1.437 COC1=CC=CC(Cl)=C1C(=O)O HR32094 [1,1,0,0,0,0|0,0,0]=2 442 B12R1.437 COC1=CC=CC(Cl)=C1[N+](=O)[O-] HR107634 [1,1,0,0,0,0|1,0,1]=4 443 B12R1.437 COC1=CC=CC(F)=C1B(O)O HR127984 [1,1,0,0,0,0|1,0,1]=4 444 B12R1.437 COC1=CC=CC(F)=C1C(=O)Cl HR100469 [1,1,0,0,0,0|1,0,0]=3 445 B12R1.437 COC1=CC=CC(F)=C1C(=O)O HR30570 [1,1,0,0,0,0|0,0,0]=2 446 B12R1.437 COC1=CC=CC(F)=C1C(C)=O HR32509 [1,1,0,0,0,0|0,0,0]=2 447 B12R1.437 COC1=CC=CC(F)=C1C(N)=O HR102415 [1,1,0,0,0,0|1,0,0]=3 448 B12R1.437 COC1=CC=CC(F)=C1[N+](=O)[O-] HR32065 [1,1,0,0,0,0|1,0,1]=4 449 B12R1.437 COC1=CC=CC(I)=C1C(=O)O HR102123 [1,1,0,0,0,0|0,0,0]=2 450 B12R1.437 COC1=CC=CC(N)=C1C(=O)O HR124069 [1,1,0,0,0,0|0,0,0]=2 451 B12R1.437 COC1=CC=CC(N)=C1[N+](=O)[O-] HR31676 [1,1,0,0,0,0|1,0,1]=4 452 B12R1.437 COC1=CC=CC(O)=C1C(=O)O HR118068 [1,1,0,0,0,0|0,0,0]=2 453 B12R1.437 COC1=CC=NC(F)=C1C(=O)O HR152978 [1,1,0,0,0,0|1,0,0]=3 454 B12R1.437 COC1=CN=CC(N)=C1C(=O)O HR115926 [1,1,0,0,0,0|1,0,0]=3 455 B12R1.437 COc1cccc(O)c1C(C)=O HR107163 [1,1,0,0,0,0|0,0,0]=2 456 B12R1.437 CSC1=CC=CC(F)=C1C(=O)O HR152330 [1,1,0,0,0,0|0,1,0]=3 457 B12R1.437 N#CC1=C(C(=O)O)C(F)=CC=C1 HR144341 [1,1,0,0,0,0|2,0,0]=4 458 B12R1.24 CCC(=O)C1=C(Br)C(F)=CC=C1 HR33372 [1,1,0,0,0,0|2,0,0]=4 459 B12R1.24 CCC(=O)C1=C(Cl)C(Cl)=CC=C1 HR121001 [1,1,0,0,0,0|2,0,0]=4 460 B12R1.24 CNC(=O)C1=C(C)C(N)=CC=C1 HR32738 [1,1,0,0,0,0|1,0,0]=3 461 B12R1.24 COC(=O)C1=C(Br)C(Br)=CC=C1 HR145117 [1,1,0,0,0,0|1,0,0]=3 462 B12R1.24 COC(=O)C1=C(Br)C(C)=CC=C1 HR118669 [1,1,0,0,0,0|1,0,0]=3 463 B12R1.24 COC(=O)C1=C(Br)C(Cl)=NC=C1 HR155610 [1,1,0,0,0,0|2,0,0]=4 464 B12R1.24 COC(=O)C1=C(Br)C(F)=CC=C1 HR154658 [1,1,0,0,0,0|1,0,0]=3 465 B12R1.24 COC(=O)C1=C(C)C(Br)=CC=C1 HR155381 [1,1,0,0,0,0|0,0,0]=2 466 B12R1.24 COC(=O)C1=C(C)C(Br)=CN=C1 HR152824 [1,1,0,0,0,0|1,0,0]=3 467 B12R1.24 COC(=O)C1=C(C)C(Cl)=CC=C1 HR154726 [1,1,0,0,0,0|0,0,0]=2 468 B12R1.24 COC(=O)C1=C(C)C(F)=CC=C1 HR156048 [1,1,0,0,0,0|0,0,0]=2 469 B12R1.24 COC(=O)C1=C(C)C(N)=CC=C1 HR132429 [1,1,0,0,0,0|0,0,0]=2 470 B12R1.24 COC(=O)C1=C(Cl)C(Cl)=CC=C1 HR106880 [1,1,0,0,0,0|1,0,0]=3 471 B12R1.24 COC(=O)C1=C(Cl)C(Cl)=NC=C1 HR156502 [1,1,0,0,0,0|2,0,0]=4 472 B12R1.24 COC(=O)C1=C(Cl)C(F)=CC=C1 HR153737 [1,1,0,0,0,0|1,0,0]=3 473 B12R1.24 COC(=O)C1=C(Cl)C(F)=NC=C1 HR155461 [1,1,0,0,0,0|2,0,0]=4 474 B12R1.24 COC(=O)C1=C(F)C(Br)=CC=C1 HR113257 [1,1,0,0,0,0|1,0,0]=3 475 B12R1.24 COC(=O)C1=C(F)C(Cl)=NC=C1 HR139883 [1,1,0,0,0,0|2,0,0]=4 476 B12R1.24 COC(=O)C1=C(F)C(F)=CC=C1 HR115763 [1,1,0,0,0,0|1,0,0]=3 477 B12R1.24 COC(=O)C1=C(F)C(N)=CC=C1 HR18729 [1,1,0,0,0,0|1,0,0]=3 478 B12R1.24 COC(=O)C1=C(N)C(Br)=CC=C1 HR148723 [1,1,0,0,0,0|1,0,0]=3 479 B12R1.24 COC(=O)C1=C(N)C(C)=CC=C1 HR136780 [1,1,0,0,0,0|1,0,0]=3 480 B12R1.24 COC(=O)C1=C(N)C(Cl)=CC=C1 HR124167 [1,1,0,0,0,0|1,0,0]=3 481 B12R1.24 COC(=O)C1=C(N)C(Cl)=NC=C1 HR33263 [1,1,0,0,0,0|2,0,0]=4 482 B12R1.24 COC(=O)C1=C(N)C(F)=CC=C1 HR121306 [1,1,0,0,0,0|1,0,0]=3 483 B12R1.24 COC(=O)C1=C(N)C(N)=CC=C1 HR119863 [1,1,0,0,0,0|1,0,0]=3 484 B12R1.24 COC(=O)C1=C(O)C(C)=CC=C1 HR135951 [1,1,0,0,0,0|0,0,0]=2 485 B12R1.24 COC(=O)C1=C(O)C(Cl)=CC=C1 HR148300 [1,1,0,0,0,0|0,0,0]=2 486 B12R1.24 COC(=O)C1=C(O)C(N)=CC=C1 HR117273 [1,1,0,0,0,0|0,0,0]=2 487 B12R1.24 COC(=O)C1=C(O)C(O)=CC=C1 HR143534 [1,1,0,0,0,0|0,0,0]=2 488 B12R1.24 COC(=O)C1=CN=CC(Br)=C1Cl HR153149 [1,1,0,0,0,0|2,0,0]=4 489 B12R1.124 CN(N)C(=O)C1=C(N)C=CC=C1 HR103275 [1,1,0,0,0,0|2,0,0]=4 490 B12R1.195 COS(=O)(=O)C1=C(C)C=CC=C1 HR140459 [1,1,0,0,0,0|1,0,0]=3 491 B12R1.308 C=C(OCC)C1=C(C)C=CN=C1 HR143272 [1,1,0,0,0,0|2,0,0]=4 492 B12R1.308 CC1=C(C(=O)CC#N)C=CC=C1 HR115767 [1,1,0,0,0,0|1,0,1]=4 493 B12R1.308 CCCC(=O)c1ccccc1O HR131433 [1,1,0,0,0,0|1,0,0]=3 494 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 HR3937 [1,1,0,0,0,0|1,0,0]=3 495 B12R1.308 CCOC(=O)C1=C(Br)C=CN=C1 HR156134 [1,1,0,0,0,0|2,0,0]=4 496 B12R1.308 CCOC(=O)C1=C(Br)C=NC=C1 HR17515 [1,1,0,0,0,0|2,0,0]=4 497 B12R1.308 CCOC(=O)C1=C(Br)N=CC=C1 HR113599 [1,1,0,0,0,0|2,0,0]=4 498 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 HR135267 [1,1,0,0,0,0|0,0,0]=2 499 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 HR120106 [1,1,0,0,0,0|1,0,0]=3 500 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 HR132470 [1,1,0,0,0,0|1,0,0]=3 501 B12R1.308 CCOC(=O)C1=C(Cl)C=NC=C1 HR153064 [1,1,0,0,0,0|2,0,0]=4 502 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 AVSA08201 [1,1,0,0,0,0|2,0,0]=4 503 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 HR131948 [1,1,0,0,0,0|1,0,0]=3 504 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 HR139013 [1,1,0,0,0,0|1,0,0]=3 505 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 HR16750 [1,1,0,0,0,0|2,0,0]=4 506 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 HR123220 [1,1,0,0,0,0|2,0,0]=4 507 B12R1.308 CCOC(=O)C1=C(O)C=CC=C1 HR133809 [1,1,0,0,0,0|0,0,0]=2 508 B12R1.308 CCOC(=O)C1=CC=CC=C1N HR131822 [1,1,0,0,0,0|1,0,0]=3 509 B12R1.308 CCOC(=O)C1=CC=CC=C1S HR101914 [1,1,0,0,0,0|0,1,0]=3 510 B12R1.308 CCOC(=O)C1=CN=CC=C1Cl HR120423 [1,1,0,0,0,0|2,0,0]=4 511 B12R1.308 CCOC(=O)C1=CN=CC=C1Cl HR146872 [1,1,0,0,0,0|2,0,0]=4 512 B12R1.308 CCOC(=O)C1=CN=CN=C1C HR114062 [1,1,0,0,0,0|2,0,0]=4 513 B12R1.308 CCOC(=O)C1=CN=CN=C1O HR31763 [1,1,0,0,0,0|2,0,0]=4 514 B12R1.308 CCOC(=O)C1=NC=CC=C1C HR108803 [1,1,0,0,0,0|1,0,0]=3 515 B12R1.308 CCOC(=O)C1=NC=CC=C1N HR101384 [1,1,0,0,0,0|2,0,0]=4 516 B12R1.308 CCOC(=O)c1cnccc1C HR154971 [1,1,0,0,0,0|1,0,0]=3 517 B12R1.308 N#CCC(=O)C1=C(O)C=CC=C1 HR113874 [1,1,0,0,0,0|1,0,1]=4 518 B12R1.308 O=C(CCCl)C1=C(Cl)C=CC=C1 HR112241 [1,1,0,0,0,0|2,0,0]=4 519 B12R1.308 O=C(NCO)C1=C(O)C=CC=C1 HR110287 [1,1,0,0,0,0|1,0,0]=3 520 B12R1.354 CCC(=O)C1=C(N)C=CC(Br)=C1 HR33617 [1,1,0,0,0,0|2,0,0]=4 521 B12R1.354 COC(=O)C1=C(Br)C=CC(Br)=C1 HR114741 [1,1,0,0,0,0|1,0,0]=3 522 B12R1.354 COC(=O)C1=C(Br)C=CC(Cl)=C1 HR122200 [1,1,0,0,0,0|1,0,0]=3 523 B12R1.354 COC(=O)C1=C(Br)C=CC(F)=C1 HR154399 [1,1,0,0,0,0|1,0,0]=3 524 B12R1.354 COC(=O)C1=C(Br)C=CC(I)=C1 HR155229 [1,1,0,0,0,0|1,0,0]=3 525 B12R1.354 COC(=O)C1=C(Br)N=CC(Cl)=C1 HR153106 [1,1,0,0,0,0|2,0,0]=4 526 B12R1.354 COC(=O)C1=C(C)C=CC(Br)=C1 HR134407 [1,1,0,0,0,0|0,0,0]=2 527 B12R1.354 COC(=O)C1=C(C)C=CC(F)=C1 HR109125 [1,1,0,0,0,0|0,0,0]=2 528 B12R1.354 COC(=O)C1=C(C)C=CC(N)=C1 HR106026 [1,1,0,0,0,0|0,0,0]=2 529 B12R1.354 COC(=O)C1=C(Cl)C=CC(=O)N1 HR105851 [1,1,0,0,0,0|2,0,0]=4 530 B12R1.354 COC(=O)C1=C(Cl)C=CC(Br)=C1 HR116970 [1,1,0,0,0,0|1,0,0]=3 531 B12R1.354 COC(=O)C1=C(Cl)C=CC(C)=C1 HR154048 [1,1,0,0,0,0|1,0,0]=3 532 B12R1.354 COC(=O)C1=C(Cl)C=CC(Cl)=C1 HR113192 [1,1,0,0,0,0|1,0,0]=3 533 B12R1.354 COC(=O)C1=C(Cl)C=CC(F)=C1 HR154757 [1,1,0,0,0,0|1,0,0]=3 534 B12R1.354 COC(=O)C1=C(Cl)N=CC(Br)=C1 HR12966 [1,1,0,0,0,0|2,0,0]=4 535 B12R1.354 COC(=O)C1=C(Cl)N=CC(Cl)=C1 HR147647 [1,1,0,0,0,0|2,0,0]=4 536 B12R1.354 COC(=O)C1=C(Cl)N=CC(I)=C1 HR118470 [1,1,0,0,0,0|2,0,0]=4 537 B12R1.354 COC(=O)C1=C(Cl)N=CC(O)=C1 HR30250 [1,1,0,0,0,0|2,0,0]=4 538 B12R1.354 COC(=O)C1=C(F)C=CC(Br)=C1 HR144532 [1,1,0,0,0,0|1,0,0]=3 539 B12R1.354 COC(=O)C1=C(F)C=CC(C)=C1 HR154734 [1,1,0,0,0,0|1,0,0]=3 540 B12R1.354 COC(=O)C1=C(F)C=CC(F)=C1 HR104852 [1,1,0,0,0,0|1,0,0]=3 541 B12R1.354 COC(=O)C1=C(F)C=CC(I)=C1 HR154451 [1,1,0,0,0,0|1,0,0]=3 542 B12R1.354 COC(=O)C1=C(F)N=CC(Br)=C1 HR148097 [1,1,0,0,0,0|2,0,0]=4 543 B12R1.354 COC(=O)C1=C(F)N=CC(Cl)=C1 HR152653 [1,1,0,0,0,0|2,0,0]=4 544 B12R1.354 COC(=O)C1=C(I)C=CC(Br)=C1 HR102887 [1,1,0,0,0,0|1,0,0]=3 545 B12R1.354 COC(=O)C1=C(I)C=CC(Cl)=C1 HR155781 [1,1,0,0,0,0|1,0,0]=3 546 B12R1.354 COC(=O)C1=C(N)C=CC(Br)=C1 HR144047 [1,1,0,0,0,0|1,0,0]=3 547 B12R1.354 COC(=O)C1=C(N)C=CC(Cl)=C1 HR3346 [1,1,0,0,0,0|1,0,0]=3 548 B12R1.354 COC(=O)C1=C(N)C=CC(F)=C1 HR102901 [1,1,0,0,0,0|1,0,0]=3 549 B12R1.354 COC(=O)C1=C(N)C=CC(O)=C1 HR147891 [1,1,0,0,0,0|1,0,0]=3 550 B12R1.354 COC(=O)C1=C(N)N=CC(C)=C1 HR148173 [1,1,0,0,0,0|2,0,0]=4 551 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 ELXM02406 [1,1,0,0,0,0|0,0,0]=2 552 B12R1.354 COC(=O)C1=C(O)C=CC(Cl)=C1 HR125728 [1,1,0,0,0,0|0,0,0]=2 553 B12R1.354 COC(=O)C1=C(O)C=CC(O)=C1 HR125415 [1,1,0,0,0,0|0,0,0]=2 554 B12R1.354 COC(=O)C1=C(O)N=CC(Br)=C1 HR102545 [1,1,0,0,0,0|1,0,0]=3 555 B12R1.354 COC(=O)C1=CC(Br)=CN=C1Br HR152640 [1,1,0,0,0,0|2,0,0]=4 556 B12R1.354 COC(=O)C1=CC(Br)=CN=C1N HR103709 [1,1,0,0,0,0|2,0,0]=4 557 B12R1.354 COC(=O)C1=CC(Br)=NC=C1Br HR152623 [1,1,0,0,0,0|2,0,0]=4 558 B12R1.354 COC(=O)C1=CC(C)=CC=C1O HR129827 [1,1,0,0,0,0|0,0,0]=2 559 B12R1.354 COC(=O)C1=CC(C)=CN=C1F HR152749 [1,1,0,0,0,0|2,0,0]=4 560 B12R1.354 COC(=O)C1=CC(Cl)=CN=C1C HR103992 [1,1,0,0,0,0|1,0,0]=3 561 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1Br HR152996 [1,1,0,0,0,0|2,0,0]=4 562 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1Cl HR152676 [1,1,0,0,0,0|2,0,0]=4 563 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1F HR107013 [1,1,0,0,0,0|2,0,0]=4 564 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1O HR33524 [1,1,0,0,0,0|1,0,0]=3 565 B12R1.354 COC(=O)C1=CC(F)=NC=C1Br HR153156 [1,1,0,0,0,0|2,0,0]=4 566 B12R1.354 COC(=O)C1=CC(I)=CC=C1N HR121942 [1,1,0,0,0,0|1,0,0]=3 567 B12R1.354 COC(=O)C1=CC(I)=CC=C1O HR121630 [1,1,0,0,0,0|0,0,0]=2 568 B12R1.354 COC(=O)C1=CC(I)=CNC1=O HR118159 [1,1,0,0,0,0|1,0,1]=4 569 B12R1.354 COC(=O)C1=CC(N)=NC=C1Br HR121737 [1,1,0,0,0,0|2,0,0]=4 570 B12R1.354 COC(=O)C1=NC(Cl)=CC=C1C HR104018 [1,1,0,0,0,0|1,0,0]=3 571 B12R1.354 COC(=O)C1=NC(N)=CC=C1Br HR119352 [1,1,0,0,0,0|2,0,0]=4 572 B12R1.354 COC(=O)c1nc(Cl)ccc1Cl HR116901 [1,1,0,0,0,0|2,0,0]=4 573 B12R1.1703 CCC(=O)C1=C(F)C=C(Br)C=C1 HR31893 [1,1,0,0,0,0|2,0,0]=4 574 B12R1.1703 CCC(=O)C1=C(O)C=C(O)C=C1 HR119761 [1,1,0,0,0,0|1,0,0]=3 575 B12R1.1703 CCC(=O)c1ccc(F)cc1F HR137095 [1,1,0,0,0,0|2,0,0]=4 576 B12R1.1703 CNC(=O)C1=C(F)C=C(Br)C=C1 HR143951 [1,1,0,0,0,0|2,0,0]=4 577 B12R1.1703 CNC(=O)C1=NC=C(Br)C=C1C HR152527 [1,1,0,0,0,0|2,0,0]=4 578 B12R1.1703 CNC(=O)c1ccc(N)cc1F HR34131 [1,1,0,0,0,0|2,0,0]=4 579 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=C1 HR117962 [1,1,0,0,0,0|1,0,0]=3 580 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)C=C1 HR148625 [1,1,0,0,0,0|1,0,0]=3 581 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 HR152371 [1,1,0,0,0,0|1,0,0]=3 582 B12R1.1703 COC(=O)C1=C(Br)N=C(C)C=C1 HR33504 [1,1,0,0,0,0|2,0,0]=4 583 B12R1.1703 COC(=O)C1=C(C)C=C(Br)C=C1 HR147839 [1,1,0,0,0,0|0,0,0]=2 584 B12R1.1703 COC(=O)C1=C(C)C=C(Br)N=C1 HR153017 [1,1,0,0,0,0|1,0,0]=3 585 B12R1.1703 COC(=O)C1=C(C)C=C(F)C=C1 HR148734 [1,1,0,0,0,0|0,0,0]=2 586 B12R1.1703 COC(=O)C1=C(C)C=C(N)C=C1 HR108816 [1,1,0,0,0,0|0,0,0]=2 587 B12R1.1703 COC(=O)C1=C(C)N=C(F)C=C1 HR152995 [1,1,0,0,0,0|1,0,0]=3 588 B12R1.1703 COC(=O)C1=C(Cl)C=C(C)C=C1 HR154439 [1,1,0,0,0,0|1,0,0]=3 589 B12R1.1703 COC(=O)C1=C(Cl)C=C(Cl)C=C1 HR106566 [1,1,0,0,0,0|1,0,0]=3 590 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=C1 HR110721 [1,1,0,0,0,0|1,0,0]=3 591 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=C1 HR128259 [1,1,0,0,0,0|1,0,0]=3 592 B12R1.1703 COC(=O)C1=C(Cl)C=C(O)C=C1 HR154078 [1,1,0,0,0,0|1,0,0]=3 593 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=C1 HR111311 [1,1,0,0,0,0|1,0,0]=3 594 B12R1.1703 COC(=O)C1=C(F)C=C(Cl)C=C1 HR114701 [1,1,0,0,0,0|1,0,0]=3 595 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=C1 HR113443 [1,1,0,0,0,0|1,0,0]=3 596 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=C1 HR146902 [1,1,0,0,0,0|1,0,0]=3 597 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=C1 HR148466 [1,1,0,0,0,0|1,0,0]=3 598 B12R1.1703 COC(=O)C1=C(F)N=C(Cl)C=C1 HR150603 [1,1,0,0,0,0|2,0,0]=4 599 B12R1.1703 COC(=O)C1=C(F)N=C(F)C=C1 HR150570 [1,1,0,0,0,0|2,0,0]=4 600 B12R1.1703 COC(=O)C1=C(N)C=C(Br)C=C1 HR4635 [1,1,0,0,0,0|1,0,0]=3 601 B12R1.1703 COC(=O)C1=C(N)C=C(C)C=C1 HR147922 [1,1,0,0,0,0|1,0,0]=3 602 B12R1.1703 COC(=O)C1=C(N)C=C(Cl)C=C1 HR4643 [1,1,0,0,0,0|1,0,0]=3 603 B12R1.1703 COC(=O)C1=C(N)C=C(F)C=C1 HR151182 [1,1,0,0,0,0|1,0,0]=3 604 B12R1.1703 COC(=O)C1=C(O)C=C(F)C=C1 HR113165 [1,1,0,0,0,0|0,0,0]=2 605 B12R1.1703 COC(=O)C1=C(O)C=C(N)C=C1 HR134223 [1,1,0,0,0,0|0,0,0]=2 606 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 HR128923 [1,1,0,0,0,0|0,0,0]=2 607 B12R1.1703 COC(=O)C1=CC=C(Br)N=C1C HR156408 [1,1,0,0,0,0|1,0,0]=3 608 B12R1.1703 COC(=O)C1=CC=C(C)C=C1O HR135901 [1,1,0,0,0,0|0,0,0]=2 609 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Cl HR109610 [1,1,0,0,0,0|2,0,0]=4 610 B12R1.1703 COC(=O)C1=CC=C(Cl)N=C1C HR156395 [1,1,0,0,0,0|1,0,0]=3 611 B12R1.1703 COC(=O)C1=CC=C(Cl)N=C1Cl HR119407 [1,1,0,0,0,0|2,0,0]=4 612 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1C HR156523 [1,1,0,0,0,0|1,0,0]=3 613 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1Cl HR134902 [1,1,0,0,0,0|2,0,0]=4 614 B12R1.1703 COC(=O)C1=CN=C(Cl)N=C1C HR31783 [1,1,0,0,0,0|2,0,0]=4 615 B12R1.1703 COC(=O)C1=CN=C(N)N=C1C HR31782 [1,1,0,0,0,0|2,0,0]=4 616 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1C HR17156 [1,1,0,0,0,0|1,0,0]=3 617 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1Cl HR111319 [1,1,0,0,0,0|2,0,0]=4 618 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1Br HR155245 [1,1,0,0,0,0|2,0,0]=4 619 B12R1.1703 COC(=O)c1ccc(Br)nc1Br HR152692 [1,1,0,0,0,0|2,0,0]=4 620 B12R1.3441 CCC(=O)C1=C(F)C=CC=C1F HR119129 [1,1,0,0,0,0|2,0,0]=4 621 B12R1.3441 COC(=O)C1=C(Br)C=CC=C1C HR141811 [1,1,0,0,0,0|0,0,0]=2 622 B12R1.3441 COC(=O)C1=C(Br)C=CC=C1Cl HR108072 [1,1,0,0,0,0|1,0,0]=3 623 B12R1.3441 COC(=O)C1=C(Br)C=CC=C1F HR151990 [1,1,0,0,0,0|1,0,0]=3 624 B12R1.3441 COC(=O)C1=C(Br)C=CN=C1Cl HR152929 [1,1,0,0,0,0|2,0,0]=4 625 B12R1.3441 COC(=O)C1=C(Br)C=NC=C1Br HR152643 [1,1,0,0,0,0|2,0,0]=4 626 B12R1.3441 COC(=O)C1=C(Br)C=NC=C1F HR152622 [1,1,0,0,0,0|2,0,0]=4 627 B12R1.3441 COC(=O)C1=C(Cl)C=CC=C1O HR154062 [1,1,0,0,0,0|0,0,0]=2 628 B12R1.3441 COC(=O)C1=C(Cl)C=NC=C1Cl HR155648 [1,1,0,0,0,0|2,0,0]=4 629 B12R1.3441 COC(=O)C1=C(Cl)N=CC=C1Cl HR154586 [1,1,0,0,0,0|2,0,0]=4 630 B12R1.3441 COC(=O)C1=C(F)C=CC=C1F HR111029 [1,1,0,0,0,0|1,0,0]=3 631 B12R1.3441 COC(=O)C1=C(I)C=CC=C1C HR139112 [1,1,0,0,0,0|0,0,0]=2 632 B12R1.3441 COC(=O)C1=C(I)C=CN=C1Cl HR152953 [1,1,0,0,0,0|2,0,0]=4 633 B12R1.3441 COC(=O)C1=C(I)C=CN=C1F HR143760 [1,1,0,0,0,0|2,0,0]=4 634 B14R1.965 CCOC(=O)CC1=C(C#N)C=CC=C1 HR107720 [0,1,0,0,0,1|2,0,0]=4 635 B14R1.3302 CNC(=O)Oc1ccccc1C(C)C HR127623 [0,1,0,0,0,1|2,0,0]=4 636 B14R1.1153 COC(=O)C1=C([N+](=O)[O-])C(C)=CC=C1 HR137507 [0,2,0,0,0,0|2,0,0]=4 637 B14R1.1153 COC(=O)C1=C([N+](=O)[O-])C(F)=CC=C1 HR148730 [0,2,0,0,0,0|2,0,0]=4 638 B14R1.4100 COC(=O)C1=C(OC)C(Br)=CC=C1F HR154498 [0,2,0,0,0,0|0,0,0]=2 639 B14R1.4100 COC(=O)C1=C(OC)C(Cl)=CC=C1F HR154846 [0,2,0,0,0,0|0,0,0]=2 640 B14R1.12435 COC(=O)C1=C(OC)C(Cl)=C(C)C=C1 HR155785 [0,2,0,0,0,0|0,0,0]=2 641 B14R1.12530 COC(=O)C1=C(OC)C(Br)=CC(C)=C1 HR155608 [0,2,0,0,0,0|0,0,0]=2 642 B14R1.12530 COC(=O)C1=C(OC)C(C)=CC(Br)=C1 HR104361 [0,2,0,0,0,0|0,0,0]=2 643 B14R1.12530 COC(=O)C1=C(OC)C(Cl)=CC(F)=C1 HR155583 [0,2,0,0,0,0|0,0,0]=2 644 B14R1.263 CCCC(=O)C1=C(OCC)C=CN=C1 HR33844 [0,2,0,0,0,0|2,0,0]=4 645 B14R1.263 CCOC(=O)C1=C(OCC)C=CC=C1 HR124653 [0,2,0,0,0,0|0,0,0]=2 646 B14R1.263 CCOC(=O)C1=C(OCC)N=CC=C1 HR153112 [0,2,0,0,0,0|1,0,0]=3 647 B14R1.263 CCOC1=C(C(=O)CC#N)C=CC=C1 HR107562 [0,2,0,0,0,0|1,0,1]=4 648 B14R1.744 COC(=O)C1=CC=CN=C1OC(C)C HR153124 [0,2,0,0,0,0|1,0,0]=3 649 B14R1.746 COC(=O)C1=CC=CC=C1C(=O)OC HR127997 [0,2,0,0,0,0|0,0,0]=2 650 B14R1.746 COC(=O)C1=CC=CN=C1C(=O)OC HR126944 [0,2,0,0,0,0|1,0,0]=3 651 B14R1.789 COC(=O)C1=C(C#CCO)C=CC=C1 HR148731 [0,2,0,0,0,0|1,0,0]=3 652 B14R1.5238 CCOC1=C(C(=O)OC)C=C(Br)C=N1 HR152613 [0,2,0,0,0,0|1,0,0]=3 653 B14R1.5238 CCOC1=C(C(=O)OC)C=C(Cl)C=C1 HR155677 [0,2,0,0,0,0|0,0,0]=2 654 B14R1.599 CCOC(=O)C1=C(OC)C=CC(F)=C1 HR155786 [0,2,0,0,0,0|0,0,0]=2 655 B14R1.599 COC1=C(C(=O)CC#N)C=C(Cl)C=C1 HR106604 [0,2,0,0,0,0|1,0,1]=4 656 B14R1.599 COC1=C(C(=O)CC#N)C=C(F)C=C1 HR105043 [0,2,0,0,0,0|1,0,1]=4 657 B14R1.623 CCOC(=O)C1=C(B(O)O)C=CC=C1 HR113825 [0,2,0,0,0,0|2,0,0]=4 658 B14R1.7276 CCOC(=O)C1=C(Br)C=CC=C1OC HR155589 [0,2,0,0,0,0|0,0,0]=2 659 B14R1.707 COC(=O)C1=C(B(O)O)C=CC(Cl)=C1 HR155424 [0,2,0,0,0,0|2,0,0]=4 660 B14R1.707 COC(=O)C1=C(B(O)O)C=CC(F)=C1 HR139019 [0,2,0,0,0,0|2,0,0]=4 661 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(Br)=C1 HR118090 [0,2,0,0,0,0|2,0,0]=4 662 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(Cl)=C1 HR126031 [0,2,0,0,0,0|2,0,0]=4 663 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(F)=C1 HR104222 [0,2,0,0,0,0|2,0,0]=4 664 B14R1.745 COC(=O)C1=C(C(F)(F)F)C=CC=C1 HR136783 [0,2,0,0,0,0|2,0,0]=4 665 B14R1.745 COC(=O)C1=C(S(=O)(=O)Cl)C=CC=C1 HR122706 [0,2,0,0,0,0|1,1,0]=4 666 B14R1.745 COC(=O)C1=C(S(N)(=O)=O)C=CC=C1 HR144520 [0,2,0,0,0,0|1,1,0]=4 667 B14R1.1126 COC(=O)C1=C(B(O)O)C=C(F)C=C1 HR145115 [0,2,0,0,0,0|2,0,0]=4 668 B14R1.1126 COC(=O)C1=C([N+](=O)[O-])C=C(Cl)C=C1 HR141805 [0,2,0,0,0,0|2,0,0]=4 669 B14R1.1164 COC(=O)C1=C(B(O)O)C=CC=C1F HR151416 [0,2,0,0,0,0|2,0,0]=4 670 B14R1.1164 COC(=O)C1=C(N)C=CC=C1[N+](=O)[O-] HR104287 [0,2,0,0,0,0|2,0,0]=4 671 B14R1.346 COC(=O)C1=C(F)C=C(Br)C=C1OC HR33955 [0,2,0,0,0,0|0,0,0]=2 672 B14R1.2334 COC(=O)C1=C(CBr)C=C(OC)C=C1 HR146848 [0,2,0,0,0,0|2,0,0]=4 673 B14R1.2334 COC(=O)C1=C(OC)C=C(CBr)C=C1 HR118130 [0,2,0,0,0,0|0,0,0]=2 674 B14R1.2334 COC(=O)C1=C(OC)C=C(OC)C=C1 HR135272 [0,2,0,0,0,0|0,0,0]=2 675 B14R1.2334 COC(=O)C1=C(OC)N=C(OC)C=C1 HR121822 [0,2,0,0,0,0|1,0,0]=3 676 B14R1.2334 COC(=O)C1=CN=C(OC)N=C1OC HR147876 [0,2,0,0,0,0|2,0,0]=4 677 B14R1.2334 COC1=CC(OC)=C(C(=O)CBr)C=C1 HR113848 [0,2,0,0,0,0|2,0,0]=4 678 B14R1.2304 COC(=O)C1=C(F)C(Br)=CC=C1OC HR154347 [0,2,0,0,0,0|0,0,0]=2 679 B14R1.2315 CCC(=O)C1=C(OC)C=CC(OC)=C1 HR123565 [0,2,0,0,0,0|1,0,0]=3 680 B14R1.2315 COC(=O)C1=C(OC)C=CC(C=O)=C1 HR30024 [0,2,0,0,0,0|0,0,0]=2 681 B14R1.2315 COC1=CC(C(=O)CBr)=C(OC)C=C1 HR113532 [0,2,0,0,0,0|2,0,0]=4 682 B14R1.2315 COC1=CC(C(=O)NN)=C(OC)C=C1 HR120189 [0,2,0,0,0,0|2,0,0]=4 683 B14R1.2167 COC(=O)C1=C(OC)C=CC=C1OC HR106729 [0,2,0,0,0,0|0,0,0]=2 684 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 HR129292 [0,0,1,1,0,0|2,0,0]=4 685 B12R1.367 COC(=O)C1=CC(C)=C(C)C=C1 HR104026 [0,0,1,1,0,0|1,0,1]=4 686 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 HR117773 [0,0,1,1,0,0|2,0,0]=4 687 B12R1.367 COC(=O)C1=CC(C)=C(F)C=C1 HR109084 [0,0,1,1,0,0|2,0,0]=4 688 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 HR123412 [0,0,1,1,0,0|2,0,0]=4 689 B12R1.367 COC(=O)C1=CN(C)C(=O)C=C1 HR108606 [0,0,1,1,0,0|2,0,0]=4 690 B12R1.367 COC(=O)c1ccc(I)c(C)c1 HR156391 [0,0,1,1,0,0|2,0,0]=4 691 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 HR126510 [0,0,1,1,0,0|1,0,1]=4 692 B12R1.1879 COC1=CC=CC(OC)=C1C=O HR32558 [0,0,1,1,0,0|2,0,0]=4 693 B12R1.58 COC1=CC(C=O)=CC(OC)=C1 HR127831 [0,0,1,1,0,0|2,0,0]=4 694 B12R2.18 CC1=CC2=CC=CC=C2N1C HR129172 [1,0,0,1,0,0|2,0,0]=4 695 B12R2.315 COC1=C2C=CNC2=CC=C1 HR129729 [1,0,0,1,0,0|2,0,0]=4 696 B12R2.315 COC1=C2C=NNC2=CC=C1 HR115255 [1,0,0,1,0,0|2,0,0]=4 697 B12R2.315 COC1=C2CNCC2=CC=C1 HR33264 [1,0,0,1,0,0|1,0,1]=4 698 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 HR112566 [1,0,0,1,0,0|1,0,0]=3 699 B12R2.2028 O=C1CC(=O)C2=CC=CC=C12 HR125819 [1,0,0,1,0,0|2,0,0]=4 700 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 NASA01414 [1,0,0,1,0,0|2,0,0]=4 701 B12R2.2028 O=C1OC(Br)C2=CC=CC=C12 HR123586 [1,0,0,1,0,0|2,0,0]=4 702 B12R2.2028 O=C1OC(Cl)C2=C1C=CC=C2 HR130975 [1,0,0,1,0,0|2,0,0]=4 703 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 HR118490 [1,0,0,1,0,0|1,0,0]=3 704 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 HR124125 [1,0,0,1,0,0|2,0,0]=4 705 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 HR123543 [1,0,0,1,0,0|2,0,0]=4 706 B12R2.203 O=C1CCC2=CC=CC(F)=C12 HR124373 [1,0,0,1,0,0|2,0,0]=4 707 B12R2.203 O=C1CCC2=CC=CC(O)=C12 HR105905 [1,0,0,1,0,0|1,0,0]=3 708 B12R2.203 O=C1CCc2cccc(Cl)c21 HR126278 [1,0,0,1,0,0|2,0,0]=4 709 B12R2.203 O=C1NCC2=CC=CC(Br)=C12 HR143754 [1,0,0,1,0,0|2,0,0]=4 710 B14R2.95 COC(=O)C1=CNC2=CC=CC=C21 HR105894 [0,0,0,1,0,1|1,0,1]=4 711 B14R2.95 COC(=O)C1=NNC2=CC=CC=C21 HR108325 [0,0,0,1,0,1|2,0,0]=4 712 B14R2.11645 COC1=C2NC(=O)C(=O)C2=CC=C1 HR147567 [0,0,0,1,0,1|2,0,0]=4 713 B14R2.11684 COC1=C2CC(=O)CCC2=CC=C1 HR129760 [0,0,0,1,0,1|1,0,0]=3 714 B14R2.11684 COC1=C2NC(=O)C=CC2=CC=C1 HR116058 [0,0,0,1,0,1|1,0,1]=4 715 B14R2.11689 COC1=C2C(C=O)=CNC2=CC=C1 HR126700 [0,1,0,1,0,0|2,0,0]=4 716 B14R2.10782 COC(=O)C1=C2C=COC2=CC=C1 HR119030 [0,1,0,1,0,0|1,0,1]=4 717 B14R2.10782 COC(=O)C1=C2NC=CC2=CC=C1 HR128222 [0,1,0,1,0,0|1,0,1]=4 718 B14R2.10782 COC(=O)C1=C2NN=CC2=CC=C1 HR103299 [0,1,0,1,0,0|1,0,1]=4 719 B14R2.10782 COC(=O)C1=CC=CC2=C1C=CN2 HR131576 [0,1,0,1,0,0|1,0,1]=4 720 B14R2.10782 COC(=O)C1=CC=CC2=C1C=NN2 HR114363 [0,1,0,1,0,0|2,0,0]=4 721 B14R2.10782 COC(=O)C1=CC=CC2=C1CCN2 HR103829 [0,1,0,1,0,0|1,0,0]=3 722 B14R2.1146 COC1=CC(C)=NC2=CC=CC=C21 HR142056 [0,1,0,1,0,0|2,0,0]=4 723 B14R2.1146 COC1=CC(C)=NC2=CC=CC=C21 HR154992 [0,1,0,1,0,0|2,0,0]=4 724 B14R2.11635 COC1=C2C(=O)CCCC2=CC=C1 HR147571 [0,1,0,1,0,0|1,0,0]=3 725 B14R2.29285 CC1(C)CCC(=O)C2=CC=CC=C21 HR139823 [0,1,0,1,0,0|2,0,0]=4 726 B14R2.8719 O=C1CCCCC2=C1C=CC(Br)=C2 HR114045 [0,1,0,1,0,0|2,0,0]=4 727 B14R2.1759 COC1=C2C(=O)CCC2=C(Br)C=C1 HR113618 [0,1,0,1,0,0|1,0,0]=3 728 B14R2.1759 COC1=C2C(=O)CCC2=C(C)C=C1 HR114468 [0,1,0,1,0,0|1,0,0]=3 729 B14R2.1759 COC1=C2C(=O)CCC2=C(Cl)C=C1 HR118259 [0,1,0,1,0,0|1,0,0]=3 730 B14R2.1759 COC1=C2C(=O)CCC2=C(F)C=C1 HR116356 [0,1,0,1,0,0|1,0,0]=3 731 B14R2.5637 O=C1CCCNC2=C1C=C(Cl)C=C2 HR103698 [0,1,0,1,0,0|2,0,0]=4 732 B14R2.5637 O=C1NCCOC2=C1C=C(Br)C=C2 ELXM02402 [0,1,0,1,0,0|1,0,0]=3 733 B10R1.39 CCN1C=CC=C1C(C)=O HR135219 [1,0,0,0,1,0|2,0,0]=4 734 B10R1.39 COC1=CSC=C1C(=O)O HR146559 [1,0,0,0,1,0|1,0,0]=3 735 B10R1.39 CSC1=C(C(=O)O)C=CS1 HR153248 [1,0,0,0,1,0|1,1,0]=4 736 B10R1.149 COC(=O)C1=C(Br)C=CS1 HR32756 [1,0,0,0,1,0|2,0,0]=4 737 B10R1.149 COC(=O)C1=C(C)C=CO1 HR128331 [1,0,0,0,1,0|1,0,0]=3 738 B10R1.149 COC(=O)C1=C(C)C=CS1 HR10098 [1,0,0,0,1,0|1,0,0]=3 739 B10R1.149 COC(=O)C1=C(C)N=CS1 HR137422 [1,0,0,0,1,0|2,0,0]=4 740 B10R1.149 COC(=O)C1=C(C)OC=C1 HR145352 [1,0,0,0,1,0|1,0,0]=3 741 B10R1.149 COC(=O)C1=C(C)OC=N1 HR117153 [1,0,0,0,1,0|2,0,0]=4 742 B10R1.149 COC(=O)C1=C(C)SC=C1 HR15770 [1,0,0,0,1,0|1,0,0]=3 743 B10R1.149 COC(=O)C1=C(Cl)C=CS1 HR144257 [1,0,0,0,1,0|2,0,0]=4 744 B10R1.149 COC(=O)C1=C(F)C=CS1 HR15241 [1,0,0,0,1,0|2,0,0]=4 745 B10R1.149 COC(=O)C1=C(I)C=CS1 HR32415 [1,0,0,0,1,0|2,0,0]=4 746 B10R1.149 COC(=O)C1=C(N)C=CO1 HR119353 [1,0,0,0,1,0|2,0,0]=4 747 B10R1.149 COC(=O)C1=C(N)C=CS1 HR7304 [1,0,0,0,1,0|2,0,0]=4 748 B10R1.149 COC(=O)C1=C(N)SC=C1 HR5551 [1,0,0,0,1,0|2,0,0]=4 749 B10R1.149 COC(=O)C1=C(O)C=CS1 HR131605 [1,0,0,0,1,0|1,0,0]=3 750 B10R1.149 COC(=O)C1=CC=CN1C HR124791 [1,0,0,0,1,0|1,0,0]=3 751 B10R1.149 COC(=O)C1=CC=NN1C HR120967 [1,0,0,0,1,0|2,0,0]=4 752 B10R1.149 COC(=O)C1=CN=CN1C HR9004 [1,0,0,0,1,0|2,0,0]=4 753 B10R1.149 COC(=O)C1=CNN=C1C HR148682 [1,0,0,0,1,0|2,0,0]=4 754 B10R1.149 COC(=O)C1=CSC=C1C HR153402 [1,0,0,0,1,0|1,0,0]=3 755 B10R1.149 COC(=O)C1=CSC=C1N HR106147 [1,0,0,0,1,0|2,0,0]=4 756 B10R1.149 COC(=O)C1=CSC=C1N HR108676 [1,0,0,0,1,0|2,0,0]=4 757 B14R1.863 COC(=O)COC1=C(C=O)C=CC=C1 HR148018 [0,0,0,0,0,2|2,0,0]=4