0 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HR21102 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 HR140059 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 HR139200 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 HR125616 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.21 CC(=O)\C=C\c1ccc(O)cc1 HR139756 [0,0,0,0,0,0|1,0,2]=3 5 B12R1.21 CC(C)COC1=CC=C(Br)C=C1 HR153977 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.21 CC(C)COC1=CC=C(F)C=C1 HR153757 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 HR124260 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 HR139847 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 HR126772 [0,0,0,0,0,0|1,0,2]=3 10 B12R1.21 CN(C)CCc1ccc(O)cc1 HR105240 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.21 CN(C)CCc1ccc(O)cc1 HR129179 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.21 NC(=O)\C=C\C1=CC=C(Cl)C=C1 HR144620 [0,0,0,0,0,0|2,0,2]=4 13 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 HR119313 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 HR103633 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 HR106931 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 HR153342 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.21 O=C(Cl)\C=C\C1=CC=C(F)C=C1 HR135942 [0,0,0,0,0,0|2,0,2]=4 18 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 HR126961 [0,0,0,0,0,0|2,0,0]=2 19 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 HR136996 [0,0,0,0,0,0|2,0,0]=2 20 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 HR135444 [0,0,0,0,0,0|2,0,0]=2 21 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 HR120695 [0,0,0,0,0,0|2,0,0]=2 22 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 HR131268 [0,0,0,0,0,0|2,0,0]=2 23 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 HR130208 [0,0,0,0,0,0|3,0,0]=3 24 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 HR122789 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 HR122536 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 HR134814 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 HR129692 [0,0,0,0,0,0|3,0,0]=3 28 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 HR139391 [0,0,0,0,0,0|3,0,0]=3 29 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 HR125682 [0,0,0,0,0,0|2,0,2]=4 30 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 HR130720 [0,0,0,0,0,0|2,0,2]=4 31 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 HR124672 [0,0,0,0,0,0|2,0,2]=4 32 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 HR120516 [0,0,0,0,0,0|2,0,2]=4 33 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 HR101928 [0,0,0,0,0,0|2,0,2]=4 34 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 HR136333 [0,0,0,0,0,0|2,0,2]=4 35 B12R1.21 O=C([O-])COc1ccc(Cl)cc1 HR124422 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.1 C=CCOC1=CC=C(Cl)C=C1 HR109710 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.1 C=CCOC1=CC=C(O)C=C1 HR121807 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.1 CC1=CC=C(SCC#N)C=C1 HR102723 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.1 CCCCC1=CC=C(Br)C=C1 HR123909 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.1 CCCCC1=CC=C(I)C=C1 HR129489 [1,0,0,0,0,0|1,0,1]=3 41 B11R1.1 CCCCC1=CC=C(N)C=C1 HR124226 [1,0,0,0,0,0|1,0,1]=3 42 B11R1.1 CCCCC1=CC=C(O)C=C1 HR123850 [1,0,0,0,0,0|1,0,1]=3 43 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 HR108110 [1,0,0,0,0,0|1,0,1]=3 44 B11R1.1 CCCC[n+]1ccc(C)cc1 HR142536 [1,0,0,0,0,0|1,0,1]=3 45 B11R1.1 CCCC[n+]1ccc(C)cc1 HR142930 [1,0,0,0,0,0|1,0,1]=3 46 B11R1.1 CCCOC1=CC=C(Br)C=C1 HR153427 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.1 CCCOC1=CC=C(N)C=C1 HR144025 [1,0,0,0,0,0|2,0,1]=4 48 B11R1.1 CCCOC1=CC=C(O)C=C1 HR130673 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.1 CCNCC1=CC=C(Cl)C=C1 HR116589 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.1 CCOCC1=CC=C(Br)C=C1 HR154827 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.1 CNCCC1=CC=C(O)C=C1 HR120214 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.1 CNCCC1=CC=C(O)C=C1 HR15214 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.1 COCCC1=CC=C(O)C=C1 HR136030 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.1 COCOC1=CC=C(Br)C=C1 HR155394 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.1 COCOC1=CC=C(C)C=C1 HR155366 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.1 COCOC1=CC=C(Cl)C=C1 HR155384 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.1 COCOC1=CC=C(F)C=C1 HR155388 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.1 Clc1ccc(CC[Mg]Br)cc1 HR100119 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.1 N#CCCC1=CC=C(Br)C=C1 HR118901 [1,0,0,0,0,0|2,0,1]=4 60 B11R1.1 N#CCCC1=CC=C(O)C=C1 HR122827 [1,0,0,0,0,0|2,0,1]=4 61 B11R1.1 O=CCCC1=CC=C(Br)C=C1 HR142007 [1,0,0,0,0,0|1,0,0]=2 62 B11R1.1 O=CCCC1=CC=C(F)C=C1 HR111075 [1,0,0,0,0,0|1,0,0]=2 63 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 HR142485 [1,0,0,0,0,0|1,0,2]=4 64 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 HR122110 [1,0,0,0,0,0|1,0,2]=4 65 B11R1.1 OCCCC1=CC=C(Br)C=C1 HR3984 [1,0,0,0,0,0|1,0,2]=4 66 B11R1.1 OCCCC1=CC=C(O)C=C1 HR117766 [1,0,0,0,0,0|1,0,2]=4 67 B11R1.1 OCCCc1ccc(Cl)cc1 HR125666 [1,0,0,0,0,0|1,0,2]=4 68 B11R1.1 [C-]#[N+]CCC1=CC=C(F)C=C1 HR121213 [1,0,0,0,0,0|2,0,1]=4 69 B11R1.91 CC(=O)CCC1=CC=CC=C1 HR131653 [1,0,0,0,0,0|0,0,0]=1 70 B11R1.91 CC(=O)NCC1=CC=CC=C1 HR101818 [1,0,0,0,0,0|1,0,0]=2 71 B11R1.91 CC(=O)NNC1=CC=CC=C1 HR123814 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.91 CC(=O)OCC1=CC=CC=C1 HR124107 [1,0,0,0,0,0|1,0,0]=2 73 B11R1.91 CC(=O)SSC1=CC=CC=C1 HR138175 [1,0,0,0,0,0|2,0,0]=3 74 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HR126722 [1,0,0,0,0,0|0,0,2]=3 75 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HR129858 [1,0,0,0,0,0|0,0,2]=3 76 B11R1.91 CC(C)=CCC1=CC=CC=C1 HR143896 [1,0,0,0,0,0|1,0,1]=3 77 B11R1.91 CC(C)NCC1=CC=CC=C1 HR135682 [1,0,0,0,0,0|2,0,1]=4 78 B11R1.91 CC(N)CCC1=CC=CC=C1 HR100540 [1,0,0,0,0,0|1,0,1]=3 79 B11R1.91 CC(N)CCC1=CC=CC=C1 HR129379 [1,0,0,0,0,0|1,0,1]=3 80 B11R1.91 CC(O)CCC1=CC=CC=C1 HR142083 [1,0,0,0,0,0|0,0,2]=3 81 B11R1.91 CC(O)COC1=CC=CC=C1 HR135584 [1,0,0,0,0,0|1,0,2]=4 82 B11R1.91 N=C(N)CCC1=CC=CN=C1 HR120288 [1,0,0,0,0,0|3,0,0]=4 83 B11R1.91 N=C(N)CCC1=CC=NC=C1 HR121866 [1,0,0,0,0,0|3,0,0]=4 84 B11R1.91 N=C(N)CCC1=NC=CC=C1 HR102009 [1,0,0,0,0,0|3,0,0]=4 85 B11R1.91 N=C(N)SCC1=CC=CC=C1 HR144885 [1,0,0,0,0,0|3,0,0]=4 86 B11R1.91 NC(=O)CCC1=CC=CC=C1 HR143750 [1,0,0,0,0,0|1,0,0]=2 87 B11R1.91 NC(=O)CNC1=CC=CC=C1 HR118147 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.91 NC(=O)NCC1=CC=CC=C1 HR144984 [1,0,0,0,0,0|2,0,0]=3 89 B11R1.91 NC(=O)NNC1=CC=CC=C1 HR140902 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.91 NC(=O)OCC1=CC=CC=C1 HR134339 [1,0,0,0,0,0|2,0,0]=3 91 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 HR136314 [1,0,0,0,0,0|1,0,2]=4 92 B11R1.91 NC(=S)NCC1=CC=CC=C1 HR100499 [1,0,0,0,0,0|2,1,0]=4 93 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 HR125999 [1,0,0,0,0,0|1,0,0]=2 94 B11R1.91 O=C(Cl)COC1=CC=CC=C1 HR132060 [1,0,0,0,0,0|2,0,0]=3 95 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 HR129732 [1,0,0,0,0,0|3,0,0]=4 96 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 HR136827 [1,0,0,0,0,0|1,0,2]=4 97 B11R1.91 O=C(O)C#CC1=CC=CC=C1 HR141100 [1,0,0,0,0,0|1,0,2]=4 98 B11R1.91 O=C(O)CCC1=CC=CC=C1 HR131731 [1,0,0,0,0,0|1,0,0]=2 99 B11R1.91 O=C(O)CCC1=CC=CN=C1 HR108389 [1,0,0,0,0,0|2,0,0]=3 100 B11R1.91 O=C(O)CCC1=NC=CC=C1 HR109593 [1,0,0,0,0,0|2,0,0]=3 101 B11R1.91 O=C(O)CNC1=CC=CC=C1 HR128051 [1,0,0,0,0,0|2,0,0]=3 102 B11R1.91 O=C(O)COC1=CC=CC=C1 HR130671 [1,0,0,0,0,0|2,0,0]=3 103 B11R1.91 O=C(O)COC1=CC=CN=C1 HR119090 [1,0,0,0,0,0|3,0,0]=4 104 B11R1.91 O=C(O)COC1=CC=NC=C1 HR33959 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.91 O=C(O)COC1=NC=CC=C1 HR144151 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.91 O=C(O)CSC1=CC=CC=C1 HR135052 [1,0,0,0,0,0|2,0,0]=3 107 B11R1.91 O=C(O)CSC1=CC=NC=C1 HR129472 [1,0,0,0,0,0|3,0,0]=4 108 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HR101436 [1,0,0,0,0,0|1,0,2]=4 109 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HR136574 [1,0,0,0,0,0|1,0,2]=4 110 B11R1.91 O=C([O-])CNC1=CC=CC=C1 HR128317 [1,0,0,0,0,0|2,0,0]=3 111 B11R1.91 O=C([O-])COC1=CC=CC=C1 HR124172 [1,0,0,0,0,0|2,0,0]=3 112 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 HR137106 [1,0,0,0,0,0|1,0,2]=4 113 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 HR105516 [1,0,0,0,0,0|2,0,0]=3 114 B11R1.91 OB(O)CCC1=CC=CC=C1 HR124048 [1,0,0,0,0,0|2,0,1]=4 115 B13R1.3 CCC1=CC=C(CCC(=O)O)C=C1 HR109269 [0,1,0,0,0,0|1,0,0]=2 116 B13R1.3 COC1=CC=C(CCC(=O)Cl)C=C1 HR137429 [0,1,0,0,0,0|1,0,0]=2 117 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 HR128928 [0,1,0,0,0,0|0,0,0]=1 118 B13R1.3 COC1=CC=C(COC(C)=O)C=C1 HR131938 [0,1,0,0,0,0|1,0,0]=2 119 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 HR130304 [0,1,0,0,0,0|2,0,0]=3 120 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 HR122581 [0,1,0,0,0,0|1,0,2]=4 121 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 HR125984 [0,1,0,0,0,0|1,0,2]=4 122 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 HR119472 [0,1,0,0,0,0|1,0,1]=3 123 B13R1.3 N#CC1=CC=C(NCC(=O)O)C=C1 HR114226 [0,1,0,0,0,0|2,0,1]=4 124 B13R1.3 O=C(O)COC1=CC=C(CO)C=C1 HR126594 [0,1,0,0,0,0|2,0,0]=3 125 B13R1.3 O=CC1=CC=C(CCC(=O)O)C=C1 HR31878 [0,1,0,0,0,0|1,0,1]=3 126 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 HR121127 [0,1,0,0,0,0|1,0,0]=2 127 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 HR134219 [0,1,0,0,0,0|1,0,0]=2 128 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 HR8193 [0,1,0,0,0,0|1,0,2]=4 129 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 HR133682 [0,1,0,0,0,0|1,0,2]=4 130 B13R1.14 NNC(=O)COC1=CC=C(F)C=C1 HR116401 [0,1,0,0,0,0|3,0,0]=4 131 B13R1.132 CC(=O)CC(=O)C1=CC=C(Cl)N=C1 HR116517 [0,1,0,0,0,0|2,0,1]=4 132 B13R1.132 CC1=CC=C(C(N)CC(=O)O)C=C1 HR141569 [0,1,0,0,0,0|1,0,0]=2 133 B13R1.132 NC(CC(=O)O)C1=CC=C(Br)C=C1 HR104343 [0,1,0,0,0,0|2,0,0]=3 134 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 HR115419 [0,1,0,0,0,0|2,0,0]=3 135 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 HR140629 [0,1,0,0,0,0|2,0,0]=3 136 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 HR142205 [0,1,0,0,0,0|2,0,0]=3 137 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 HR104128 [0,1,0,0,0,0|2,0,0]=3 138 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 HR106494 [0,1,0,0,0,0|2,0,0]=3 139 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 HR141616 [0,1,0,0,0,0|2,0,0]=3 140 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 HR119110 [0,1,0,0,0,0|2,0,0]=3 141 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 HR119422 [0,1,0,0,0,0|2,0,0]=3 142 B13R1.132 O=C(O)CC(=O)C1=CC=C(Br)C=C1 HR114506 [0,1,0,0,0,0|2,0,1]=4 143 B13R1.132 O=C(O)CC(=O)C1=CC=C(Cl)C=C1 HR116395 [0,1,0,0,0,0|2,0,1]=4 144 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O HR125364 [0,1,0,0,0,0|3,0,0]=4 145 B13R1.133 CC(OC1=CC=C(O)C=C1)C(=O)O HR128093 [0,1,0,0,0,0|3,0,0]=4 146 B13R1.133 CC(Oc1ccc(O)cc1)C(=O)O HR122638 [0,1,0,0,0,0|3,0,0]=4 147 B13R1.133 CC1=CC=C(CC(N)B(O)O)C=C1 HR32495 [0,1,0,0,0,0|2,0,1]=4 148 B13R1.133 CC1=CC=C(CC(N)C(=O)O)C=C1 HR118920 [0,1,0,0,0,0|1,0,0]=2 149 B13R1.133 CC1=CC=C(CC(N)C(=O)O)C=C1 HR123568 [0,1,0,0,0,0|1,0,0]=2 150 B13R1.133 CC1=CC=C(NC(C)C(=O)O)C=C1 HR123832 [0,1,0,0,0,0|2,0,0]=3 151 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O HR118291 [0,1,0,0,0,0|2,0,0]=3 152 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O HR128095 [0,1,0,0,0,0|2,0,0]=3 153 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O HR128365 [0,1,0,0,0,0|2,0,0]=3 154 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O HR130844 [0,1,0,0,0,0|2,0,0]=3 155 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O HR140535 [0,1,0,0,0,0|2,0,0]=3 156 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O HR132042 [0,1,0,0,0,0|2,0,0]=3 157 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O HR135124 [0,1,0,0,0,0|2,0,0]=3 158 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O MEJL03501 [0,1,0,0,0,0|2,0,0]=3 159 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O MEXF01701 [0,1,0,0,0,0|2,0,0]=3 160 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O HR128738 [0,1,0,0,0,0|2,0,0]=3 161 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O HR133784 [0,1,0,0,0,0|2,0,0]=3 162 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O HR134857 [0,1,0,0,0,0|2,0,0]=3 163 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O HR141327 [0,1,0,0,0,0|2,0,0]=3 164 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O HR125407 [0,1,0,0,0,0|2,0,0]=3 165 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O HR130121 [0,1,0,0,0,0|2,0,0]=3 166 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)[O-] HR142577 [0,1,0,0,0,0|2,0,0]=3 167 B13R1.133 NC(Cc1ccc(Br)cc1)C(=O)O HR102670 [0,1,0,0,0,0|2,0,0]=3 168 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O HR131097 [0,1,0,0,0,0|2,0,0]=3 169 B13R1.133 NC(Cc1ccc(O)cc1)C(=O)O HR130989 [0,1,0,0,0,0|2,0,0]=3 170 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 HR122238 [0,1,0,0,0,0|2,0,0]=3 171 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 HR127396 [0,1,0,0,0,0|2,0,0]=3 172 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 HR123685 [0,1,0,0,0,0|2,0,1]=4 173 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 HR105855 [0,1,0,0,0,0|2,0,0]=3 174 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 HR129363 [0,1,0,0,0,0|2,0,0]=3 175 B13R1.164 CC(=O)NCC1=CN=C(C)N=C1N HR128544 [0,1,0,0,0,0|3,0,0]=4 176 B13R1.164 CC1=C(OCC(=O)O)C=CC(Cl)=C1 HR127666 [0,1,0,0,0,0|3,0,0]=4 177 B13R1.164 CC1=C(OCC(=O)O)C=CC(F)=C1 HR107852 [0,1,0,0,0,0|3,0,0]=4 178 B13R1.164 CC1=CC(C)=C(NCC(=O)O)C=C1 HR109603 [0,1,0,0,0,0|2,0,0]=3 179 B13R1.164 CC1=CC(C)=C(\C=C\C(=O)O)C=C1 HR140793 [0,1,0,0,0,0|1,0,2]=4 180 B13R1.164 Cc1cc(Cl)ccc1OCC(=O)[O-] HR143926 [0,1,0,0,0,0|3,0,0]=4 181 B13R1.164 O=C(Cl)COC1=C(Cl)C=C(Cl)C=C1 HR118964 [0,1,0,0,0,0|3,0,0]=4 182 B13R1.164 O=C(O)CCC1=C(Br)C=C(F)C=C1 HR121009 [0,1,0,0,0,0|2,0,0]=3 183 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Cl)C=C1 HR116367 [0,1,0,0,0,0|2,0,0]=3 184 B13R1.164 O=C(O)CCC1=C(Cl)C=C(F)C=C1 HR121951 [0,1,0,0,0,0|2,0,0]=3 185 B13R1.164 O=C(O)COc1ccc(Cl)cc1Cl HR122807 [0,1,0,0,0,0|3,0,0]=4 186 B13R1.164 O=C(O)COc1ccc(Cl)cc1Cl HR130039 [0,1,0,0,0,0|3,0,0]=4 187 B13R1.164 O=C(O)COc1ccc(Cl)cc1Cl HR130299 [0,1,0,0,0,0|3,0,0]=4 188 B13R1.164 O=C([O-])COc1ccc(Cl)cc1Cl HR129749 [0,1,0,0,0,0|3,0,0]=4 189 B13R1.511 CC(=O)CCC1=CC(O)=C(O)C=C1 HR111431 [0,1,0,0,0,0|1,0,0]=2 190 B13R1.511 NC1=C(Br)C=CC(CCC(=O)O)=C1 HR117785 [0,1,0,0,0,0|2,0,0]=3 191 B13R1.511 O=C(O)CCC1=CC(F)=C(Cl)C=C1 HR148370 [0,1,0,0,0,0|2,0,0]=3 192 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 HR144020 [0,1,0,0,0,0|2,0,0]=3 193 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)C1 HR150484 [0,0,0,1,0,0|1,0,0]=2 194 B13R2.155 CC1=CC=C2C=CC(C)=NC2=C1 HR154938 [0,0,0,1,0,0|1,0,2]=4 195 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 HR112130 [0,0,0,1,0,0|2,0,0]=3 196 B13R2.155 NC1=CC=C2NCC(=O)NC2=C1 HR102706 [0,0,0,1,0,0|3,0,0]=4 197 B13R2.155 NC1CCC2=C(C=C(O)C=C2)C1 HR105453 [0,0,0,1,0,0|2,0,1]=4 198 B13R2.155 NC1CCC2=CC=C(Br)C=C2C1 HR103259 [0,0,0,1,0,0|2,0,1]=4 199 B13R2.155 NC1CCC2=CC=C(Cl)C=C2C1 HR119283 [0,0,0,1,0,0|2,0,1]=4 200 B13R2.155 NC1CCC2=CC=C(O)C=C2C1 HR104428 [0,0,0,1,0,0|2,0,1]=4 201 B13R2.155 NC1CCC2=CC=C(O)C=C2C1 HR104742 [0,0,0,1,0,0|2,0,1]=4 202 B13R2.155 O=C1CCC2=CC=C(Br)C=C2C1 HR111134 [0,0,0,1,0,0|1,0,0]=2 203 B13R2.155 O=C1CCC2=CC=C(Cl)C=C2C1 HR125397 [0,0,0,1,0,0|1,0,0]=2 204 B13R2.155 O=C1CCC2=CC=C(Cl)C=C2N1 HR114256 [0,0,0,1,0,0|2,0,0]=3 205 B13R2.155 O=C1CCC2=CC=C(F)C=C2C1 HR119919 [0,0,0,1,0,0|1,0,0]=2 206 B13R2.155 O=C1CCC2=CC=C(O)C=C2C1 HR134636 [0,0,0,1,0,0|1,0,0]=2 207 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 HR23856 [0,0,0,1,0,0|2,0,0]=3 208 B13R2.155 O=C1COC2=C(C=C(Br)C=C2)N1 HR31990 [0,0,0,1,0,0|3,0,0]=4 209 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)N1 HR31969 [0,0,0,1,0,0|3,0,0]=4 210 B13R2.155 O=C1COC2=C(C=C(O)C=C2)N1 HR30334 [0,0,0,1,0,0|3,0,0]=4 211 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 HR133867 [0,0,0,0,1,0|1,0,0]=2 212 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 HR106338 [0,0,0,0,1,0|0,0,0]=1 213 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 HR133046 [0,0,0,0,1,0|1,0,0]=2 214 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 HR132467 [0,0,0,0,1,0|1,0,0]=2 215 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 HR139779 [0,0,0,0,1,0|1,0,0]=2 216 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 HR125087 [0,0,0,0,1,0|2,0,0]=3 217 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 HR134649 [0,0,0,0,1,0|2,0,0]=3 218 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 HR125476 [0,0,0,0,1,0|2,0,0]=3 219 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 HR124390 [0,0,0,0,1,0|2,0,0]=3 220 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 HR100483 [0,0,0,0,1,0|2,0,0]=3 221 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 HR141724 [0,0,0,0,1,0|3,0,0]=4 222 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 HR111549 [0,0,0,0,1,0|3,0,0]=4 223 B11R1.20 CC(=O)NC1=NC=C(N)C=C1 HR111867 [0,0,0,0,1,0|3,0,0]=4 224 B11R1.20 CC(=O)Nc1ccc(C)cc1 HR135415 [0,0,0,0,1,0|1,0,0]=2 225 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 HR3061 [0,0,0,0,1,0|2,0,0]=3 226 B11R1.20 CC(=O)Oc1ccc(C)cc1 HR140219 [0,0,0,0,1,0|1,0,0]=2 227 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 HR133147 [0,0,0,0,1,0|2,0,1]=4 228 B11R1.20 CC(N)CC1=CC=C(F)C=C1 HR112031 [0,0,0,0,1,0|2,0,1]=4 229 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 HR138670 [0,0,0,0,1,0|1,0,0]=2 230 B11R1.20 CC1=CC=C(CC(O)=S)C=C1 HR135318 [0,0,0,0,1,0|1,0,1]=3 231 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 HR141097 [0,0,0,0,1,0|2,0,0]=3 232 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 HR102960 [0,0,0,0,1,0|2,1,0]=4 233 B11R1.20 CN(C)CC1=CC=C(N)C=C1 HR113248 [0,0,0,0,1,0|3,0,0]=4 234 B11R1.20 CN(C)Cc1ccc(Br)cc1 HR121993 [0,0,0,0,1,0|3,0,0]=4 235 B11R1.20 CN(C)Cc1ccc(O)cc1 HR100421 [0,0,0,0,1,0|3,0,0]=4 236 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 HR17532 [0,0,0,0,1,0|2,0,0]=3 237 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 HR140124 [0,0,0,0,1,0|3,0,0]=4 238 B11R1.20 NC(=O)NC1=CC=C(F)C=C1 HR142730 [0,0,0,0,1,0|3,0,0]=4 239 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 HR137308 [0,0,0,0,1,0|2,0,0]=3 240 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 HR136254 [0,0,0,0,1,0|2,0,0]=3 241 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 HR137009 [0,0,0,0,1,0|2,0,0]=3 242 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 HR137778 [0,0,0,0,1,0|2,0,0]=3 243 B11R1.20 O=C(Cl)OC1=CC=C(Br)C=C1 HR129908 [0,0,0,0,1,0|3,0,0]=4 244 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 HR4246 [0,0,0,0,1,0|2,0,0]=3 245 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 HR123599 [0,0,0,0,1,0|2,0,0]=3 246 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 HR138910 [0,0,0,0,1,0|2,0,0]=3 247 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 HR125193 [0,0,0,0,1,0|2,0,0]=3 248 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 HR129181 [0,0,0,0,1,0|2,0,0]=3 249 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 HR34124 [0,0,0,0,1,0|2,0,0]=3 250 B11R1.20 O=C(O)CC1=CN=C(Cl)C=C1 HR145026 [0,0,0,0,1,0|3,0,0]=4 251 B13R1.513 CC(=O)NCCC1=CC=C(O)C=C1 HR103073 [0,0,0,0,0,1|1,0,0]=2 252 B13R1.513 CC1=CC=C(OCCC(=O)O)C=C1 HR126508 [0,0,0,0,0,1|1,0,0]=2 253 B13R1.513 CN(C)CCOC1=CC=C(N)C=C1 HR112072 [0,0,0,0,0,1|3,0,0]=4 254 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 HR123518 [0,0,0,0,0,1|2,0,0]=3 255 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 HR115474 [0,0,0,0,0,1|2,0,0]=3 256 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 HR137313 [0,0,0,0,0,1|2,0,0]=3 257 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 HR136297 [0,0,0,0,0,1|2,0,0]=3 258 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 HR136559 [0,0,0,0,0,1|2,0,0]=3 259 B10R1.1 C=CCC1=CC=C(O)C=C1 HOJB00101 [2,0,0,0,0,0|1,0,1]=4 260 B10R1.1 CC1=CC=C(CC#N)C=C1 HR134725 [2,0,0,0,0,0|1,0,1]=4 261 B10R1.1 CC1=CC=C(CC=O)C=C1 HR126727 [2,0,0,0,0,0|0,0,0]=2 262 B10R1.1 CC1=CC=C(CCN)C=C1 HR140819 [2,0,0,0,0,0|1,0,0]=3 263 B10R1.1 CC1=CC=C(CCO)C=C1 HR104738 [2,0,0,0,0,0|0,0,1]=3 264 B10R1.1 CC1=CC=C(CCO)C=N1 HR120419 [2,0,0,0,0,0|1,0,1]=4 265 B10R1.1 CC1=CC=C(N=C=O)C=C1 HR122804 [2,0,0,0,0,0|1,0,1]=4 266 B10R1.1 CC1=NC=C(CCBr)C=C1 HR110577 [2,0,0,0,0,0|2,0,0]=4 267 B10R1.1 CCCC1=CC=C(Br)C=C1 HR123646 [2,0,0,0,0,0|1,0,0]=3 268 B10R1.1 CCCC1=CC=C(I)C=C1 HR129234 [2,0,0,0,0,0|1,0,0]=3 269 B10R1.1 CCCC1=CC=C(N)C=C1 HR131202 [2,0,0,0,0,0|1,0,0]=3 270 B10R1.1 CCCC1=CC=C(O)C=C1 HR132793 [2,0,0,0,0,0|1,0,0]=3 271 B10R1.1 CCOC1=CC=C(Br)C=C1 HR138615 [2,0,0,0,0,0|2,0,0]=4 272 B10R1.1 CCOC1=CC=C(Cl)C=C1 HR129965 [2,0,0,0,0,0|2,0,0]=4 273 B10R1.1 CCOC1=CC=C(F)C=C1 HR153169 [2,0,0,0,0,0|2,0,0]=4 274 B10R1.1 CCOC1=CC=C(I)C=C1 HR129746 [2,0,0,0,0,0|2,0,0]=4 275 B10R1.1 CCOC1=CC=C(O)C=C1 HR136870 [2,0,0,0,0,0|2,0,0]=4 276 B10R1.1 CCSC1=CC=C(Br)C=C1 HR155341 [2,0,0,0,0,0|2,0,0]=4 277 B10R1.1 CCSC1=CC=C(F)C=C1 HR121435 [2,0,0,0,0,0|2,0,0]=4 278 B10R1.1 CNCC1=CC=C(Br)C=C1 HR115034 [2,0,0,0,0,0|2,0,0]=4 279 B10R1.1 CNCC1=CC=C(C)C=C1 HR104938 [2,0,0,0,0,0|1,0,0]=3 280 B10R1.1 CNCC1=CC=C(Cl)C=C1 HR114398 [2,0,0,0,0,0|2,0,0]=4 281 B10R1.1 CNCC1=CC=C(F)C=C1 HR114089 [2,0,0,0,0,0|2,0,0]=4 282 B10R1.1 CNCC1=CC=C(N)C=C1 HR123435 [2,0,0,0,0,0|2,0,0]=4 283 B10R1.1 COCC1=CC=C(Br)C=C1 HR153639 [2,0,0,0,0,0|2,0,0]=4 284 B10R1.1 COCC1=CC=C(O)C=C1 HR118976 [2,0,0,0,0,0|2,0,0]=4 285 B10R1.1 ClC1=CC=C(CCBr)C=C1 HR117274 [2,0,0,0,0,0|2,0,0]=4 286 B10R1.1 FC1=CC=C(CCBr)C=C1 HR102782 [2,0,0,0,0,0|2,0,0]=4 287 B10R1.1 NC1=CC=C(CCO)C=C1 HR136289 [2,0,0,0,0,0|1,0,1]=4 288 B10R1.1 NCCC1=CC=C(Br)C=C1 HR129862 [2,0,0,0,0,0|2,0,0]=4 289 B10R1.1 NCCC1=CC=C(Cl)C=C1 HR134473 [2,0,0,0,0,0|2,0,0]=4 290 B10R1.1 NCCC1=CC=C(F)C=C1 HR122552 [2,0,0,0,0,0|2,0,0]=4 291 B10R1.1 NCCC1=CC=C(N)C=C1 HR117857 [2,0,0,0,0,0|2,0,0]=4 292 B10R1.1 NCCC1=CC=C(N)C=C1 HR132329 [2,0,0,0,0,0|2,0,0]=4 293 B10R1.1 NCCC1=CC=C(O)C=C1 HR125143 [2,0,0,0,0,0|2,0,0]=4 294 B10R1.1 NCCC1=CC=C(O)C=C1 HR129690 [2,0,0,0,0,0|2,0,0]=4 295 B10R1.1 O=CCC1=CC=C(Br)C=C1 HR109805 [2,0,0,0,0,0|1,0,0]=3 296 B10R1.1 O=CCC1=CC=C(Cl)C=C1 HR117587 [2,0,0,0,0,0|1,0,0]=3 297 B10R1.1 O=CCC1=CC=C(F)C=C1 HR150460 [2,0,0,0,0,0|1,0,0]=3 298 B10R1.1 OCCC1=CC=C(Br)C=C1 HR126127 [2,0,0,0,0,0|1,0,1]=4 299 B10R1.1 OCCC1=CC=C(Cl)C=C1 HR131620 [2,0,0,0,0,0|1,0,1]=4 300 B10R1.1 OCCC1=CC=C(F)C=C1 HR126820 [2,0,0,0,0,0|1,0,1]=4 301 B10R1.1 OCCC1=CC=C(I)C=C1 HR147752 [2,0,0,0,0,0|1,0,1]=4 302 B10R1.1 OCCC1=CC=C(O)C=C1 HR128389 [2,0,0,0,0,0|1,0,1]=4 303 B10R1.17 BrCCCC1=CC=CC=C1 HR106413 [2,0,0,0,0,0|1,0,1]=4 304 B10R1.17 C=CCNC1=CC=CC=C1 HR143241 [2,0,0,0,0,0|1,0,1]=4 305 B10R1.17 C=CCOC1=CC=CC=C1 HR135359 [2,0,0,0,0,0|1,0,1]=4 306 B10R1.17 CCCCC1=NC=CC=C1 HR130041 [2,0,0,0,0,0|1,0,1]=4 307 B10R1.17 CCCC[N+]1=CC=CC=C1 HR129252 [2,0,0,0,0,0|1,0,1]=4 308 B10R1.17 CCCC[N+]1=CC=CC=C1 HR133271 [2,0,0,0,0,0|1,0,1]=4 309 B10R1.17 CCCC[n+]1ccccc1 HR102811 [2,0,0,0,0,0|1,0,1]=4 310 B10R1.17 CCCC[n+]1ccccc1 HR113588 [2,0,0,0,0,0|1,0,1]=4 311 B10R1.17 CCCNC1=CC=CC=C1 HR129739 [2,0,0,0,0,0|1,0,1]=4 312 B10R1.17 CCCOC1=CC=CC=C1 HR112246 [2,0,0,0,0,0|1,0,1]=4 313 B10R1.17 CCNCC1=CC=CC=C1 HR126061 [2,0,0,0,0,0|1,0,1]=4 314 B10R1.17 CCOCC1=CC=CC=C1 HR135944 [2,0,0,0,0,0|1,0,1]=4 315 B10R1.17 CNCCC1=CC=NC=C1 HR145120 [2,0,0,0,0,0|2,0,0]=4 316 B10R1.17 CNCCc1ccccc1 HR117849 [2,0,0,0,0,0|1,0,0]=3 317 B10R1.17 CNCCc1ccccn1 HR108850 [2,0,0,0,0,0|2,0,0]=4 318 B10R1.17 CNCCc1ccccn1 HR138471 [2,0,0,0,0,0|2,0,0]=4 319 B10R1.17 CNCCc1ccccn1 HR138733 [2,0,0,0,0,0|2,0,0]=4 320 B10R1.17 COCCC1=CC=CC=C1 HR133177 [2,0,0,0,0,0|1,0,0]=3 321 B10R1.17 CSSCC1=CC=CC=C1 HR127315 [2,0,0,0,0,0|2,0,0]=4 322 B10R1.17 ClCCCC1=CC=CC=C1 HR126996 [2,0,0,0,0,0|1,0,1]=4 323 B10R1.17 Cl[Mg]CCC1=CC=CC=C1 HR118419 [2,0,0,0,0,0|2,0,0]=4 324 B10R1.17 N#CCCC1=CC=CC=C1 HR100817 [2,0,0,0,0,0|1,0,1]=4 325 B10R1.17 NCCCC1=CC=CC=C1 HR143725 [2,0,0,0,0,0|1,0,1]=4 326 B10R1.17 NNCCC1=CC=CC=C1 HR100277 [2,0,0,0,0,0|2,0,0]=4 327 B10R1.17 O=C=NCC1=CC=CC=C1 HR134544 [2,0,0,0,0,0|1,0,1]=4 328 B10R1.17 O=CC#CC1=CC=CC=C1 HR137974 [2,0,0,0,0,0|0,0,2]=4 329 B10R1.17 O=CCCc1ccccc1 ECCQ01303 [2,0,0,0,0,0|0,0,0]=2 330 B10R1.17 O=COCC1=CC=CC=C1 HR141973 [2,0,0,0,0,0|1,0,0]=3 331 B10R1.17 O=C\C=C\C1=CC=CC=C1 HR100316 [2,0,0,0,0,0|0,0,2]=4 332 B10R1.17 O=C\C=C\C1=CC=CC=C1 HR133706 [2,0,0,0,0,0|0,0,2]=4 333 B10R1.17 OCCCC1=CC=CC=C1 HR132460 [2,0,0,0,0,0|0,0,2]=4 334 B12R1.1 CCCCCC1=CC=C(N)C=C1 HR135511 [1,1,0,0,0,0|1,0,1]=4 335 B12R1.1 CCCCCC1=CC=C(O)C=C1 HR134136 [1,1,0,0,0,0|1,0,1]=4 336 B12R1.1 CCCCCc1ccc(Br)cc1 HR133194 [1,1,0,0,0,0|1,0,1]=4 337 B12R1.1 CCCCOC1=CC=C(Br)C=C1 HR100212 [1,1,0,0,0,0|1,0,1]=4 338 B12R1.1 CCCCOC1=CC=C(N)C=C1 HR124060 [1,1,0,0,0,0|1,0,1]=4 339 B12R1.1 CCCCOC1=CC=C(O)C=C1 HR134177 [1,1,0,0,0,0|1,0,1]=4 340 B12R1.1 CNCCOC1=CC=C(Cl)C=C1 HR103320 [1,1,0,0,0,0|2,0,0]=4 341 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 HR115117 [1,1,0,0,0,0|0,0,2]=4 342 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 HR123023 [1,1,0,0,0,0|2,0,0]=4 343 B12R1.16 CNCC(O)c1ccc(O)cc1 HR126080 [1,1,0,0,0,0|2,0,0]=4 344 B12R1.16 CNCC(O)c1ccc(O)cc1 HR136962 [1,1,0,0,0,0|2,0,0]=4 345 B12R1.16 CNCC(O)c1ccc(O)cc1 HR139102 [1,1,0,0,0,0|2,0,0]=4 346 B12R1.49 CCC(C)Cc1ccc(O)cc1 HR113622 [1,1,0,0,0,0|1,0,1]=4 347 B12R1.69 CCCCC1=C(O)C=C(O)C=C1 HR33193 [1,1,0,0,0,0|1,0,1]=4 348 B12R1.69 COCOC1=C(Br)C=C(C)C=C1 HR155385 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.71 C#CC1=CC=C(CCCC)C=C1 HR123741 [1,1,0,0,0,0|0,0,2]=4 350 B12R1.71 CCCCc1ccc(C=O)cc1 HR105858 [1,1,0,0,0,0|0,0,2]=4 351 B12R1.71 CCNCC1=CC=C(OC)C=C1 HR115636 [1,1,0,0,0,0|1,0,1]=4 352 B12R1.71 CNCCc1ccc(OC)cc1 HR116909 [1,1,0,0,0,0|1,0,0]=3 353 B12R1.71 COC1=CC=C(CCC=O)C=C1 HR106525 [1,1,0,0,0,0|0,0,0]=2 354 B12R1.71 COC1=CC=C(CN=C=O)C=C1 HR118476 [1,1,0,0,0,0|1,0,1]=4 355 B12R1.71 COCOC1=CC=C(OC)C=C1 HR156704 [1,1,0,0,0,0|2,0,0]=4 356 B12R1.71 COc1ccc(CCCN)cc1 HR116335 [1,1,0,0,0,0|1,0,1]=4 357 B12R1.71 COc1ccc(\C=C\C=O)cc1 HR142465 [1,1,0,0,0,0|0,0,2]=4 358 B12R1.71 [C-]#[N+]CCC1=CC=C(OC)C=C1 HR121529 [1,1,0,0,0,0|1,0,1]=4 359 B12R1.385 CCCCC1=CC(C)=C(N)C=C1 HR124475 [1,1,0,0,0,0|1,0,1]=4 360 B12R1.385 CCCOC1=CC(Br)=C(C)C=C1 HR153860 [1,1,0,0,0,0|1,0,1]=4 361 B12R1.385 CNCCc1ccc(O)c(O)c1 HR109293 [1,1,0,0,0,0|2,0,0]=4 362 B12R1.385 COCOC1=CC(Br)=C(C)C=C1 HR155392 [1,1,0,0,0,0|2,0,0]=4 363 B12R1.385 COCOC1=CC(F)=C(C)C=C1 HR155360 [1,1,0,0,0,0|2,0,0]=4 364 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 HR113280 [1,1,0,0,0,0|1,0,1]=4 365 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 HR128829 [1,1,0,0,0,0|1,0,1]=4 366 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HR128344 [1,1,0,0,0,0|1,0,0]=3 367 B12R1.27 COC(=O)CCC1=CC=CC=C1 HR127854 [1,1,0,0,0,0|0,0,0]=2 368 B12R1.27 COC(=O)COC1=CC=CC=C1 HR128210 [1,1,0,0,0,0|1,0,0]=3 369 B12R1.27 COC(=O)CSC1=CC=CC=C1 HR139679 [1,1,0,0,0,0|1,0,0]=3 370 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 HR126510 [1,1,0,0,0,0|0,0,2]=4 371 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HR129987 [1,1,0,0,0,0|1,0,0]=3 372 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HR133000 [1,1,0,0,0,0|1,0,0]=3 373 B12R1.27 NNC(=O)CCC1=CC=CC=C1 HR101428 [1,1,0,0,0,0|1,0,0]=3 374 B12R1.27 NNC(=O)OCc1ccccc1 HR133486 [1,1,0,0,0,0|2,0,0]=4 375 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 HR108993 [1,1,0,0,0,0|0,0,0]=2 376 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 HR7461 [1,1,0,0,0,0|1,0,0]=3 377 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 HR119838 [1,1,0,0,0,0|1,0,0]=3 378 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 HR133264 [1,1,0,0,0,0|1,0,0]=3 379 B12R1.27 O=C(NO)OCC1=CC=CC=C1 HR143273 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O HR125343 [1,1,0,0,0,0|1,0,1]=4 381 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O HR16952 [1,1,0,0,0,0|2,0,0]=4 382 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O HR104381 [1,1,0,0,0,0|2,0,0]=4 383 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O HR125623 [1,1,0,0,0,0|2,0,0]=4 384 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 HR116956 [1,1,0,0,0,0|1,0,0]=3 385 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 HR141615 [1,1,0,0,0,0|1,0,0]=3 386 B12R1.43 NC(=O)C(N)Cc1ccccc1 HR113225 [1,1,0,0,0,0|1,0,0]=3 387 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HR123017 [1,1,0,0,0,0|1,0,0]=3 388 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HR123288 [1,1,0,0,0,0|1,0,0]=3 389 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HR123548 [1,1,0,0,0,0|1,0,0]=3 390 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O HR123240 [1,1,0,0,0,0|2,0,0]=4 391 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O HR123504 [1,1,0,0,0,0|2,0,0]=4 392 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O HR146941 [1,1,0,0,0,0|2,0,0]=4 393 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O HR136047 [1,1,0,0,0,0|2,0,0]=4 394 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O HR136313 [1,1,0,0,0,0|2,0,0]=4 395 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O HR131756 [1,1,0,0,0,0|2,0,0]=4 396 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O HR132018 [1,1,0,0,0,0|2,0,0]=4 397 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O HR141722 [1,1,0,0,0,0|2,0,0]=4 398 B12R1.43 O=C(O)C(Br)Cc1ccccc1 HR141710 [1,1,0,0,0,0|1,0,0]=3 399 B12R1.43 O=C(O)C(Cl)Cc1ccccc1 HR104071 [1,1,0,0,0,0|1,0,0]=3 400 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HR127552 [1,1,0,0,0,0|1,0,0]=3 401 B12R1.43 O=C(O)C(O)Cc1ccccc1 HR6413 [1,1,0,0,0,0|1,0,0]=3 402 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 HR132515 [1,1,0,0,0,0|1,0,1]=4 403 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 HR137442 [1,1,0,0,0,0|1,0,1]=4 404 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HR134134 [1,1,0,0,0,0|0,0,1]=3 405 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 HR138447 [1,1,0,0,0,0|1,0,0]=3 406 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 HR147366 [1,1,0,0,0,0|1,0,1]=4 407 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 HR100565 [1,1,0,0,0,0|1,0,0]=3 408 B12R1.107 CN(C)CC(N)c1ccccc1 HR106834 [1,1,0,0,0,0|2,0,0]=4 409 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR115997 [1,1,0,0,0,0|1,0,0]=3 410 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR123753 [1,1,0,0,0,0|1,0,0]=3 411 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR137732 [1,1,0,0,0,0|1,0,0]=3 412 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR142848 [1,1,0,0,0,0|1,0,0]=3 413 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR143556 [1,1,0,0,0,0|1,0,0]=3 414 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR5925 [1,1,0,0,0,0|1,0,0]=3 415 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 HR120733 [1,1,0,0,0,0|2,0,0]=4 416 B12R1.107 NC(CC(=O)O)c1ccccc1 HR136713 [1,1,0,0,0,0|1,0,0]=3 417 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 HR114800 [1,1,0,0,0,0|1,0,1]=4 418 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 HR147359 [1,1,0,0,0,0|1,0,0]=3 419 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 HR120291 [1,1,0,0,0,0|1,0,0]=3 420 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 HR117889 [1,1,0,0,0,0|1,0,0]=3 421 B12R1.125 O=C(Cl)CCC1=C(F)C=CC=C1 HR100901 [1,1,0,0,0,0|1,0,0]=3 422 B12R1.125 O=C(Cl)OCC1=C(Cl)C=CC=C1 HR121970 [1,1,0,0,0,0|2,0,0]=4 423 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 HR131976 [1,1,0,0,0,0|1,0,0]=3 424 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 HR138907 [1,1,0,0,0,0|1,0,0]=3 425 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 HR125640 [1,1,0,0,0,0|1,0,0]=3 426 B12R1.125 O=C(O)CCC1=C(O)C=CC=C1 HR101173 [1,1,0,0,0,0|1,0,0]=3 427 B12R1.125 O=C(O)CCN1C=CC=CC1=O HR118042 [1,1,0,0,0,0|2,0,0]=4 428 B12R1.125 O=C(O)CNc1ccccc1Cl HR101785 [1,1,0,0,0,0|2,0,0]=4 429 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 HR100216 [1,1,0,0,0,0|2,0,0]=4 430 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 HR128733 [1,1,0,0,0,0|2,0,0]=4 431 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 HR102413 [1,1,0,0,0,0|1,0,0]=3 432 B12R1.226 O=C(Cl)CCC1=CC(F)=CC=C1 HR144815 [1,1,0,0,0,0|1,0,0]=3 433 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 HR125121 [1,1,0,0,0,0|1,0,0]=3 434 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 HR125382 [1,1,0,0,0,0|1,0,0]=3 435 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 HR128052 [1,1,0,0,0,0|1,0,0]=3 436 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 HR123625 [1,1,0,0,0,0|1,0,0]=3 437 B12R1.226 O=C(O)COC1=CC(Cl)=CC=C1 HR136856 [1,1,0,0,0,0|2,0,0]=4 438 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 HR123280 [1,1,0,0,0,0|0,0,2]=4 439 B12R1.891 C[Si](C)(Cl)CCC1=CC=CC=C1 HR140144 [1,1,0,0,0,0|1,1,0]=4 440 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 HR116374 [1,1,0,0,0,0|2,0,0]=4 441 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 HR138241 [0,1,0,0,1,0|1,0,1]=4 442 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 HR132788 [0,1,0,0,1,0|1,0,1]=4 443 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 HR137250 [0,1,0,0,1,0|1,0,1]=4 444 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 HR138935 [0,1,0,0,1,0|1,0,0]=3 445 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 HR19953 [0,1,0,0,1,0|0,0,0]=2 446 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 ECCQ01301 [0,1,0,0,1,0|1,0,0]=3 447 B12R1.4 COC1=CC=C(CC(=O)[O-])C=C1 HR156640 [0,1,0,0,1,0|1,0,0]=3 448 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 HR128401 [0,1,0,0,1,0|0,0,0]=2 449 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 HR134299 [0,1,0,0,1,0|1,0,0]=3 450 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 HR142853 [0,1,0,0,1,0|2,0,0]=4 451 B12R1.4 COC1=CC=C(OC(C)=O)C=C1 HR156585 [0,1,0,0,1,0|1,0,0]=3 452 B12R1.4 COC1=CN=C(CC(=O)O)C=C1 HR107260 [0,1,0,0,1,0|2,0,0]=4 453 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 HR133324 [0,1,0,0,1,0|1,0,0]=3 454 B12R1.4 CSC1=CC=C(NC(C)=O)C=C1 HR110241 [0,1,0,0,1,0|1,0,0]=3 455 B12R1.4 CSC1=CC=C(NC(N)=O)C=C1 HR141236 [0,1,0,0,1,0|2,0,0]=4 456 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 HR19712 [0,1,0,0,1,0|1,0,1]=4 457 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 HR128332 [0,1,0,0,1,0|1,0,0]=3 458 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 HR112966 [0,1,0,0,1,0|1,0,0]=3 459 B12R1.19 CC(=O)CC1=CC(Cl)=C(Cl)C=C1 HR130735 [0,1,0,0,1,0|1,0,0]=3 460 B12R1.19 CC(=O)Cc1ccc(O)c(O)c1 HR111398 [0,1,0,0,1,0|1,0,0]=3 461 B12R1.19 CC(=O)NC1=CC(Cl)=C(O)C=C1 HR146583 [0,1,0,0,1,0|2,0,0]=4 462 B12R1.19 CC(=O)Nc1ccc(Br)c(F)c1 HR154197 [0,1,0,0,1,0|2,0,0]=4 463 B12R1.19 CC(=O)Nc1ccc(Cl)c(N)c1 HR144428 [0,1,0,0,1,0|2,0,0]=4 464 B12R1.19 CC1=C(Br)C=C(CN(C)C)C=C1 HR154201 [0,1,0,0,1,0|2,0,0]=4 465 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 HR109806 [0,1,0,0,1,0|1,0,0]=3 466 B12R1.19 CC1=C(O)C=CC(CC(=O)O)=C1 HR116124 [0,1,0,0,1,0|2,0,0]=4 467 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 HR116132 [0,1,0,0,1,0|2,0,0]=4 468 B12R1.19 NC1=C(N)C=C(CC(=O)O)C=C1 HR108561 [0,1,0,0,1,0|2,0,0]=4 469 B12R1.19 O=C(O)CC1=CC(Br)=C(F)C=C1 HR111441 [0,1,0,0,1,0|2,0,0]=4 470 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 HR129360 [0,1,0,0,1,0|2,0,0]=4 471 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 HR128538 [0,1,0,0,1,0|2,0,0]=4 472 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 HR112703 [0,1,0,0,1,0|2,0,0]=4 473 B12R1.19 O=C(O)CC1=CC(Cl)=C(O)C=C1 HR101985 [0,1,0,0,1,0|2,0,0]=4 474 B12R1.19 O=C(O)CC1=CC(F)=C(Br)C=C1 HR114590 [0,1,0,0,1,0|2,0,0]=4 475 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 HR4301 [0,1,0,0,1,0|2,0,0]=4 476 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 HR132981 [0,1,0,0,1,0|2,0,0]=4 477 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 HR143146 [0,1,0,0,1,0|2,0,0]=4 478 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 HR117976 [0,1,0,0,1,0|2,0,0]=4 479 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 HR106867 [0,1,0,0,1,0|1,0,1]=4 480 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 HR138672 [0,1,0,0,1,0|2,0,0]=4 481 B12R1.20 CC(C(=O)O)C1=CC=C(Cl)C=C1 HR123608 [0,1,0,0,1,0|2,0,0]=4 482 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 HR147875 [0,1,0,0,1,0|2,0,0]=4 483 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 HR124512 [0,1,0,0,1,0|1,0,0]=3 484 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 HR118357 [0,1,0,0,1,0|1,0,0]=3 485 B12R1.20 Cc1ccc(C(O)C(=O)O)cc1 HR139488 [0,1,0,0,1,0|1,0,0]=3 486 B12R1.20 NC(=O)C(N)C1=CC=C(O)C=C1 HR117776 [0,1,0,0,1,0|2,0,0]=4 487 B12R1.20 NC(=O)C(N)C1=CC=C(O)C=C1 HR146216 [0,1,0,0,1,0|2,0,0]=4 488 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 HR117394 [0,1,0,0,1,0|2,0,0]=4 489 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 HR146582 [0,1,0,0,1,0|2,0,0]=4 490 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 HR143274 [0,1,0,0,1,0|2,0,0]=4 491 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 HR146635 [0,1,0,0,1,0|2,0,0]=4 492 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 HR122469 [0,1,0,0,1,0|2,0,0]=4 493 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 HR128791 [0,1,0,0,1,0|2,0,0]=4 494 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 HR100184 [0,1,0,0,1,0|2,0,0]=4 495 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 HR129954 [0,1,0,0,1,0|2,0,0]=4 496 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 HR13975 [0,1,0,0,1,0|2,0,0]=4 497 B12R1.20 NC(C(=O)O)c1ccc(Cl)cc1 HR137144 [0,1,0,0,1,0|2,0,0]=4 498 B12R1.20 NC(C(=O)O)c1ccc(F)cc1 HR139471 [0,1,0,0,1,0|2,0,0]=4 499 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 HR132698 [0,1,0,0,1,0|2,0,0]=4 500 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 HR123768 [0,1,0,0,1,0|2,0,0]=4 501 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 HR142207 [0,1,0,0,1,0|2,0,0]=4 502 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 HR122705 [0,1,0,0,1,0|2,0,0]=4 503 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 HR123600 [0,1,0,0,1,0|2,0,0]=4 504 B12R1.106 CC1=CC=C(CS(=O)(=O)Cl)C=C1 HR5592 [0,1,0,0,1,0|2,0,0]=4 505 B12R1.233 CC(=O)CC1=C(Cl)C=C(Cl)C=C1 HR130995 [0,1,0,0,1,0|1,0,0]=3 506 B12R1.233 CC(=O)NC1=C(Br)C=C(F)C=C1 HR134926 [0,1,0,0,1,0|2,0,0]=4 507 B12R1.233 CC(=O)NC1=C(F)C=C(Br)C=C1 HR128078 [0,1,0,0,1,0|2,0,0]=4 508 B12R1.233 CC(=O)NC1=NC=C(C)C=C1Br HR152820 [0,1,0,0,1,0|2,0,0]=4 509 B12R1.233 CC(=O)Nc1ccc(C)cc1Br HR134744 [0,1,0,0,1,0|1,0,0]=3 510 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 HR139674 [0,1,0,0,1,0|2,0,0]=4 511 B12R1.233 CC1=CC(C)=C(CC(=O)O)C=C1 HR116169 [0,1,0,0,1,0|1,0,0]=3 512 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 HR106279 [0,1,0,0,1,0|2,0,0]=4 513 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 HR114916 [0,1,0,0,1,0|2,0,0]=4 514 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 HR123073 [0,1,0,0,1,0|2,0,0]=4 515 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 HR114696 [0,1,0,0,1,0|2,0,0]=4 516 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 HR108089 [0,1,0,0,1,0|2,0,0]=4 517 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 HR112071 [0,1,0,0,1,0|2,0,0]=4 518 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 HR30119 [0,1,0,0,1,0|2,0,0]=4 519 B12R1.233 O=C(O)CC1=C(F)C=C(O)C=C1 HR113852 [0,1,0,0,1,0|2,0,0]=4 520 B12R1.233 O=C(O)CC1=C(O)C=C(O)C=C1 HR143339 [0,1,0,0,1,0|2,0,0]=4 521 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 HR115532 [0,1,0,0,0,1|1,0,0]=3 522 B14R1.4 CN(C)CCOC1=CC=C(CN)C=C1 HR124174 [0,1,0,0,0,1|2,0,0]=4 523 B14R1.4 COC1=CC=C(CCCC(=O)Cl)C=C1 HR129190 [0,1,0,0,0,1|1,0,0]=3 524 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 HR15207 [0,1,0,0,0,1|1,0,0]=3 525 B14R1.4 COC1=CC=C(CCCC(N)=O)C=C1 HR30126 [0,1,0,0,0,1|1,0,0]=3 526 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 HR146671 [0,1,0,0,0,1|1,0,0]=3 527 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 HR32628 [0,1,0,0,0,1|1,0,0]=3 528 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 HR104195 [0,1,0,0,0,1|2,0,0]=4 529 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 HR140235 [0,1,0,0,0,1|2,0,0]=4 530 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 HR136300 [0,1,0,0,0,1|2,0,0]=4 531 B14R1.687 O=C(O)CCOC1=CC(F)=C(F)C=C1 HR12498 [0,1,0,0,0,1|2,0,0]=4 532 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C)C=C1 HR129466 [0,1,0,0,0,1|0,0,1]=3 533 B14R1.698 CC(=O)CC(=O)NC1=CC=C(Cl)C=C1 HR130244 [0,1,0,0,0,1|1,0,1]=4 534 B14R1.698 NC(CC(=O)O)Cc1ccc(Br)cc1 HR111912 [0,1,0,0,0,1|2,0,0]=4 535 B14R1.698 NC(CC(=O)O)Cc1ccc(Br)cc1 HR112225 [0,1,0,0,0,1|2,0,0]=4 536 B14R1.698 NC(CC(=O)O)Cc1ccc(I)cc1 HR100736 [0,1,0,0,0,1|2,0,0]=4 537 B14R1.2 COC1=CC=C(C(=O)CC(=O)O)C=C1 HR119239 [0,2,0,0,0,0|1,0,1]=4 538 B14R1.3 COC1=CC=C(CC(N)C(=O)O)C=C1 HR109567 [0,2,0,0,0,0|1,0,0]=3 539 B14R1.3 COC1=CC=C(CC(N)C(=O)O)C=C1 HR130044 [0,2,0,0,0,0|1,0,0]=3 540 B14R1.3 COC1=CC=C(CC(N)C(=O)O)C=C1 HR140988 [0,2,0,0,0,0|1,0,0]=3 541 B14R1.3 COc1ccc(OC(C)C(=O)[O-])cc1 HR140021 [0,2,0,0,0,0|2,0,0]=4 542 B14R1.3 N#CC1=CC=C(CC(N)C(=O)O)C=C1 HR136545 [0,2,0,0,0,0|1,0,1]=4 543 B14R1.3 N#CC1=CC=C(CC(N)C(=O)O)C=C1 HR136799 [0,2,0,0,0,0|1,0,1]=4 544 B14R1.5 CCC(=O)\C=C\C1=CC=C(OC)C=C1 HR132411 [0,2,0,0,0,0|0,0,2]=4 545 B14R1.5 COC(=O)CCC1=CC=C(C#N)C=C1 HR106000 [0,2,0,0,0,0|0,0,1]=3 546 B14R1.5 COC(=O)CCC1=CC=C(CN)C=C1 HR121842 [0,2,0,0,0,0|0,0,0]=2 547 B14R1.5 COC(=O)CCC1=CC=C(OC)C=C1 HR123094 [0,2,0,0,0,0|0,0,0]=2 548 B14R1.5 COC(=O)COC1=CC=C(C=O)C=C1 HR148008 [0,2,0,0,0,0|1,0,1]=4 549 B14R1.5 COC(=O)\C=C\C1=CC=C(OC)C=C1 HR100115 [0,2,0,0,0,0|0,0,2]=4 550 B14R1.5 COC(=O)\C=C\c1ccc(CBr)cc1 HR125075 [0,2,0,0,0,0|0,0,2]=4 551 B14R1.419 O=C(O)CCC1=CC=C([N+](=O)[O-])C=C1 HR124268 [0,2,0,0,0,0|2,0,0]=4 552 B14R1.10 COC(=O)CC(=O)C1=CC=C(C)C=C1 HR109011 [0,2,0,0,0,0|0,0,1]=3 553 B14R1.10 COC(=O)CC(=O)C1=CC=C(Cl)C=C1 HR109317 [0,2,0,0,0,0|1,0,1]=4 554 B14R1.10 COC(=O)CC(=O)C1=CC=C(Cl)C=C1 HR113751 [0,2,0,0,0,0|1,0,1]=4 555 B14R1.10 COC(=O)CC(=O)C1=CC=C(F)C=C1 HR123004 [0,2,0,0,0,0|1,0,1]=4 556 B14R1.10 COC(=O)CC(=O)C1=CC=C(O)C=C1 HR115448 [0,2,0,0,0,0|1,0,1]=4 557 B14R1.10 COC(=O)CC(N)C1=CC=C(Cl)C=C1 HR115114 [0,2,0,0,0,0|1,0,0]=3 558 B14R1.134 COC(=O)C(C)Oc1ccc(O)cc1 HR137939 [0,2,0,0,0,0|2,0,0]=4 559 B14R1.134 COC(=O)C(N)CC1=CC=C(Cl)C=C1 HR131517 [0,2,0,0,0,0|1,0,0]=3 560 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 CHXF02102 [0,2,0,0,0,0|1,0,0]=3 561 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 HR123416 [0,2,0,0,0,0|1,0,0]=3 562 B14R1.134 COC(=O)C(N)Cc1ccc(O)cc1 HR127843 [0,2,0,0,0,0|1,0,0]=3 563 B14R1.134 NNC(=O)C(N)CC1=CC=C(O)C=C1 HR142187 [0,2,0,0,0,0|2,0,0]=4 564 B14R1.293 CNS(=O)(=O)CCC1=CC=C(N)C=C1 HR148089 [0,2,0,0,0,0|2,0,0]=4 565 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 HR121446 [0,2,0,0,0,0|1,0,0]=3 566 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 HR32201 [0,2,0,0,0,0|1,0,0]=3 567 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 HR137980 [0,2,0,0,0,0|1,0,0]=3 568 B14R1.502 CCOC(=O)COC1=CC=C(Cl)C=C1 HR131254 [0,2,0,0,0,0|2,0,0]=4 569 B14R1.502 CCOC(=O)\C=C\C1=CC=C(C)C=C1 HR122295 [0,2,0,0,0,0|0,0,2]=4 570 B14R1.685 NC(CC(=O)O)C1=CC(Cl)=C(Cl)C=C1 HR114892 [0,2,0,0,0,0|2,0,0]=4 571 B14R1.694 CC(=O)CS(=O)(=O)C1=CC=C(C)C=C1 HR144997 [0,2,0,0,0,0|1,0,0]=3 572 B14R1.694 CC(=O)NS(=O)(=O)C1=CC=C(C)C=C1 HR101415 [0,2,0,0,0,0|2,0,0]=4 573 B14R1.694 CC1=CC=C(C(C)(C)CC(=O)O)C=C1 HR105626 [0,2,0,0,0,0|1,0,0]=3 574 B14R1.694 CC1=CC=C(S(=O)(=O)CC(=O)O)C=C1 HR115305 [0,2,0,0,0,0|2,0,0]=4 575 B14R1.1019 CC1=CC=C(C(CN)CC(=O)O)C=C1 HR113048 [0,2,0,0,0,0|1,0,0]=3 576 B14R1.1019 CC1=CC=C(C(CN)CC(=O)O)C=C1 HR113357 [0,2,0,0,0,0|1,0,0]=3 577 B14R1.1019 NCC(CC(=O)O)C1=CC=C(Cl)C=C1 HR115562 [0,2,0,0,0,0|2,0,0]=4 578 B14R1.1019 NCC(CC(=O)O)C1=CC=C(Cl)C=C1 HR115883 [0,2,0,0,0,0|2,0,0]=4 579 B14R1.1019 NCC(CC(=O)O)C1=CC=C(F)C=C1 HR114942 [0,2,0,0,0,0|2,0,0]=4 580 B14R1.1019 NCC(CC(=O)O)C1=CC=C(F)C=C1 HR115250 [0,2,0,0,0,0|2,0,0]=4 581 B14R1.1019 NCC(CC(=O)O)c1ccc(Cl)cc1 HR134012 [0,2,0,0,0,0|2,0,0]=4 582 B14R1.536 COC(CC1=CC=C(Cl)C=C1)C(=O)O HR111469 [0,2,0,0,0,0|2,0,0]=4 583 B14R1.686 CC1=C(C)C=C(CC(N)C(=O)O)C=C1 HR130173 [0,2,0,0,0,0|1,0,0]=3 584 B14R1.686 NC(CC1=CC(Cl)=C(Cl)C=C1)C(=O)O HR136284 [0,2,0,0,0,0|2,0,0]=4 585 B14R1.686 NC(CC1=CC(Cl)=C(Cl)C=C1)C(=O)O HR136546 [0,2,0,0,0,0|2,0,0]=4 586 B14R1.686 NC(CC1=CC(Cl)=C(Cl)C=C1)C(=O)O HR141126 [0,2,0,0,0,0|2,0,0]=4 587 B14R1.686 NC(CC1=CC(Cl)=C(O)C=C1)C(=O)O HR138077 [0,2,0,0,0,0|2,0,0]=4 588 B14R1.686 NC(CC1=CC(F)=C(F)C=C1)C(=O)O HR120632 [0,2,0,0,0,0|2,0,0]=4 589 B14R1.686 NC(CC1=CC(F)=C(F)C=C1)C(=O)O HR121333 [0,2,0,0,0,0|2,0,0]=4 590 B14R1.686 NC(CC1=CC(F)=C(O)C=C1)C(=O)O HR141516 [0,2,0,0,0,0|2,0,0]=4 591 B14R1.686 NC(CC1=CC(I)=C(O)C=C1)C(=O)O HR134921 [0,2,0,0,0,0|2,0,0]=4 592 B14R1.686 NC(CC1=CC=C(O)C(O)=C1)C(=O)O HR127040 [0,2,0,0,0,0|2,0,0]=4 593 B14R1.686 O=C(O)C(O)CC1=CC(O)=C(O)C=C1 HR122792 [0,2,0,0,0,0|2,0,0]=4 594 B14R1.686 O=C([O-])C(O)Cc1ccc(O)c(O)c1 HR145011 [0,2,0,0,0,0|2,0,0]=4 595 B14R1.6049 NC(CC1=C(Cl)C=C(Cl)C=C1)C(=O)O HR137061 [0,2,0,0,0,0|2,0,0]=4 596 B14R1.6049 NC(CC1=C(Cl)C=C(Cl)C=C1)C(=O)O HR137303 [0,2,0,0,0,0|2,0,0]=4 597 B14R1.7626 CC(N)(CC1=CC=C(O)C=C1)C(=O)O HR124153 [0,2,0,0,0,0|2,0,0]=4 598 B14R1.42 COC1=C(O)C=CC(CCC(=O)O)=C1 HR114574 [0,2,0,0,0,0|2,0,0]=4 599 B14R1.42 COC1=C(O)C=CC(CCC(C)=O)=C1 HR131096 [0,2,0,0,0,0|1,0,0]=3 600 B12R2.24 BrC1=CC=C2CCNCC2=C1 HR103965 [1,0,0,1,0,0|2,0,0]=4 601 B12R2.24 BrC1=CC=C2CCNCC2=C1 HR108520 [1,0,0,1,0,0|2,0,0]=4 602 B12R2.24 CC1=CC=C2CCCNC2=C1 HR147004 [1,0,0,1,0,0|1,0,1]=4 603 B12R2.24 CC1=CC=C2CCNCC2=C1 HR146857 [1,0,0,1,0,0|1,0,0]=3 604 B12R2.24 CC1=NC2=C(C=C1)CCCC2 HR142353 [1,0,0,1,0,0|1,0,1]=4 605 B12R2.24 ClC1=CC=C2CCNCC2=C1 HR106721 [1,0,0,1,0,0|2,0,0]=4 606 B12R2.24 ClC1=CC=C2CCNCC2=C1 HR115002 [1,0,0,1,0,0|2,0,0]=4 607 B12R2.24 FC1=CC=C2CCNCC2=C1 HR115307 [1,0,0,1,0,0|2,0,0]=4 608 B12R2.24 FC1=CC=C2CCNCC2=C1 HR149535 [1,0,0,1,0,0|2,0,0]=4 609 B12R2.24 NC1=CC=C2CCNCC2=C1 HR33214 [1,0,0,1,0,0|2,0,0]=4 610 B12R2.24 Nc1ccc2c(c1)CNCC2 HR140549 [1,0,0,1,0,0|2,0,0]=4 611 B12R2.24 OC1=CC2=C(C=C1)CCCC2 HR127911 [1,0,0,1,0,0|1,0,1]=4 612 B12R2.24 OC1=CC=C2CCNCC2=C1 HR107259 [1,0,0,1,0,0|2,0,0]=4 613 B12R2.24 Oc1ccc2c(c1)CNCC2 HR142204 [1,0,0,1,0,0|2,0,0]=4 614 B12R2.132 CC1=CC2=C(C=C1)SC=C2C HR141084 [1,0,0,1,0,0|1,0,1]=4 615 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 HR134352 [1,0,0,1,0,0|0,0,0]=2 616 B12R2.132 NC1=CC2=C(C=C1)COC2=O HR143360 [1,0,0,1,0,0|2,0,0]=4 617 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 HR108704 [1,0,0,1,0,0|1,0,0]=3 618 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 HR133039 [1,0,0,1,0,0|1,0,0]=3 619 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 HR132773 [1,0,0,1,0,0|1,0,0]=3 620 B12R2.132 O=C1CCC2=CC=C(F)C=C12 HR135134 [1,0,0,1,0,0|1,0,0]=3 621 B12R2.132 O=C1CCC2=CC=C(I)C=C12 HR100952 [1,0,0,1,0,0|1,0,0]=3 622 B12R2.132 O=C1CCC2=CC=C(O)C=C12 HR130107 [1,0,0,1,0,0|1,0,0]=3 623 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 HR105683 [1,0,0,1,0,0|2,0,0]=4 624 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 HR109616 [1,0,0,1,0,0|2,0,0]=4 625 B12R2.132 O=C1NCC2=CC=C(Br)C=C12 HR30552 [1,0,0,1,0,0|2,0,0]=4 626 B12R2.132 O=C1NCC2=CC=C(Cl)C=C12 HR146346 [1,0,0,1,0,0|2,0,0]=4 627 B12R2.132 O=C1NCC2=CC=C(O)C=C12 HR116675 [1,0,0,1,0,0|2,0,0]=4 628 B12R2.132 O=C1OCC2=CC=C(Br)C=C12 HR124085 [1,0,0,1,0,0|2,0,0]=4 629 B12R2.2302 BrC1=CC=C(C2CCC2)C=C1 HR153379 [1,0,0,1,0,0|1,0,1]=4 630 B12R2.2302 OC1=CC=C(C2CCC2)C=C1 HR154628 [1,0,0,1,0,0|1,0,1]=4 631 B12R2.606 CC1=CC2=C(C=C1)N=C(C)S2 HR120302 [0,0,0,1,1,0|1,1,0]=4 632 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 HR128522 [0,0,0,1,1,0|2,0,0]=4 633 B12R2.606 CC1=CC2=C(C=C1)SC(C)=N2 HR123305 [0,0,0,1,1,0|2,0,0]=4 634 B12R2.606 CC1=CC=C2CC(=O)NC2=C1 HR102307 [0,0,0,1,1,0|1,0,0]=3 635 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 HR137362 [0,0,0,1,1,0|1,0,0]=3 636 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 HR127570 [0,0,0,1,1,0|2,0,0]=4 637 B12R2.606 NC1=CC2=C(C=C1)OC(=O)C2 HR119959 [0,0,0,1,1,0|2,0,0]=4 638 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 HR101990 [0,0,0,1,1,0|2,0,0]=4 639 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 HR125160 [0,0,0,1,1,0|2,0,0]=4 640 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)O1 HR146343 [0,0,0,1,1,0|2,0,0]=4 641 B12R2.606 O=C1CC2=C(C=CC(O)=C2)O1 HR107063 [0,0,0,1,1,0|2,0,0]=4 642 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 HR130345 [0,0,0,1,1,0|2,0,0]=4 643 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 HR132630 [0,0,0,1,1,0|2,0,0]=4 644 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 HR1687 [0,0,0,1,1,0|2,0,0]=4 645 B12R2.606 O=C1CC2=CC(O)=CC=C2N1 HR138477 [0,0,0,1,1,0|2,0,0]=4 646 B12R2.606 O=C1CC2=CC=C(Br)C=C2C1 HR116838 [0,0,0,1,1,0|1,0,0]=3 647 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 HR7320 [0,0,0,1,1,0|2,0,0]=4 648 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 HR124964 [0,0,0,1,1,0|2,0,0]=4 649 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 HR132540 [0,0,0,1,1,0|2,0,0]=4 650 B12R2.606 O=C1CC2=CC=C(I)C=C2N1 HR120320 [0,0,0,1,1,0|2,0,0]=4 651 B12R2.606 O=C1CC2=CC=C(O)C=C2N1 HR137113 [0,0,0,1,1,0|2,0,0]=4 652 B14R2.20 O=C1CCN(C2=CC=C(Cl)C=C2)C1 HR110724 [0,0,0,1,0,1|1,0,0]=3 653 B14R2.380 NC1=CC2=C(C=C1)CCCC(=O)N2 HR146950 [0,0,0,1,0,1|2,0,0]=4 654 B14R2.5816 CC(=O)N1CCC2=CC=C(N)C=C21 HR107333 [0,0,0,1,0,1|1,0,0]=3 655 B14R2.134 COC1=CC=C2CCC(=O)CC2=C1 HR134534 [0,1,0,1,0,0|0,0,0]=2 656 B14R2.134 COC1=CC=C2CCC(=O)NC2=C1 HR116578 [0,1,0,1,0,0|1,0,0]=3 657 B14R2.134 COC1=CC=C2CCC(N)CC2=C1 HR102635 [0,1,0,1,0,0|1,0,1]=4 658 B14R2.134 COC1=CC=C2CCC(N)CC2=C1 HR122247 [0,1,0,1,0,0|1,0,1]=4 659 B14R2.134 COC1=CC=C2CCC(N)CC2=C1 HR134997 [0,1,0,1,0,0|1,0,1]=4 660 B14R2.134 COC1=CC=C2OCC(=O)CC2=C1 HR32742 [0,1,0,1,0,0|1,0,0]=3 661 B10R1.18 C=C(C)CC1=CC=CC=C1 HR102748 [1,0,0,0,1,0|1,0,0]=3 662 B10R1.18 CC(=O)CC1=CC=CN=C1 HR119668 [1,0,0,0,1,0|1,0,0]=3 663 B10R1.18 CC(=O)CC1=CC=NC=C1 HR139369 [1,0,0,0,1,0|1,0,0]=3 664 B10R1.18 CC(=O)CC1=NC=CC=C1 HR147177 [1,0,0,0,1,0|1,0,0]=3 665 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 HR142406 [1,0,0,0,1,0|1,0,0]=3 666 B10R1.18 CC(=O)OC1=CC=CC=C1 HR100385 [1,0,0,0,1,0|1,0,0]=3 667 B10R1.18 CC(=O)SC1=CC=CC=C1 HR139271 [1,0,0,0,1,0|1,0,0]=3 668 B10R1.18 CC(Br)CC1=CC=CC=C1 HR139183 [1,0,0,0,1,0|1,0,1]=4 669 B10R1.18 CC(O)CC1=CC=CC=C1 HR126017 [1,0,0,0,1,0|0,0,2]=4 670 B10R1.18 CC(O)CC1=CC=CC=C1 HR141229 [1,0,0,0,1,0|0,0,2]=4 671 B10R1.18 C[Si](C)CC1=CC=CC=C1 HR116399 [1,0,0,0,1,0|1,1,0]=4 672 B10R1.18 NC(=O)CC1=CC=CC=C1 HR137931 [1,0,0,0,1,0|1,0,0]=3 673 B10R1.18 NC(=O)CC1=CC=CN=C1 HR112388 [1,0,0,0,1,0|2,0,0]=4 674 B10R1.18 NC(=O)NC1=CC=CC=C1 HR129983 [1,0,0,0,1,0|2,0,0]=4 675 B10R1.18 NC(=S)CC1=CC=CC=C1 HR111590 [1,0,0,0,1,0|1,1,0]=4 676 B10R1.18 O=C(Cl)OC1=CC=CC=C1 TOSA04608 [1,0,0,0,1,0|2,0,0]=4 677 B10R1.18 O=C(O)CC1=CC=CC=C1 ORJL013 [1,0,0,0,1,0|1,0,0]=3 678 B10R1.18 O=C(O)CC1=CC=CC=C1 ORJL01304 [1,0,0,0,1,0|1,0,0]=3 679 B10R1.18 O=C(O)CC1=CC=CN=C1 HR128903 [1,0,0,0,1,0|2,0,0]=4 680 B10R1.18 O=C(O)CC1=CC=CN=C1 HR134171 [1,0,0,0,1,0|2,0,0]=4 681 B10R1.18 O=C(O)CC1=CC=NC=C1 HR131595 [1,0,0,0,1,0|2,0,0]=4 682 B10R1.18 O=C(O)CC1=CC=NC=C1 HR140829 [1,0,0,0,1,0|2,0,0]=4 683 B10R1.18 O=C(O)CC1=NC=CC=C1 HR122018 [1,0,0,0,1,0|2,0,0]=4 684 B10R1.18 O=C(O)CC1=NC=CC=C1 HR137420 [1,0,0,0,1,0|2,0,0]=4 685 B10R1.18 O=C([O-])CC1=CC=CC=C1 HR124860 [1,0,0,0,1,0|1,0,0]=3 686 B10R1.18 O=C([O-])Cc1ccccc1 HR139076 [1,0,0,0,1,0|1,0,0]=3 687 B10R1.66 CC(=O)OCC1=CC=CO1 HR128138 [1,0,0,0,1,0|2,0,0]=4 688 B10R1.66 O=C(O)CCC1=CC=CN1 HR147312 [1,0,0,0,1,0|2,0,0]=4 689 B10R1.66 O=C(O)CCC1=CC=CO1 HR138114 [1,0,0,0,1,0|2,0,0]=4 690 B10R1.66 O=C(O)CCC1=CC=CS1 HR133338 [1,0,0,0,1,0|2,0,0]=4 691 B10R1.66 O=C(O)CC[C-]1C=CC=C1 HR141171 [1,0,0,0,1,0|1,0,1]=4 692 B10R1.13 C=C(C)C1=CC=C(Cl)C=C1 HR125313 [0,0,0,0,2,0|2,0,0]=4 693 B10R1.13 C=C(C)C1=CC=C(O)C=C1 HR109400 [0,0,0,0,2,0|2,0,0]=4 694 B10R1.13 C=C(C)C1=CC=C(O)C=C1 HR30241 [0,0,0,0,2,0|2,0,0]=4 695 B10R1.13 CC(=O)C1=CC=C(C)N=C1 HR33295 [0,0,0,0,2,0|1,0,0]=3 696 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 HR122260 [0,0,0,0,2,0|1,0,0]=3 697 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 HR32515 [0,0,0,0,2,0|2,0,0]=4 698 B10R1.13 CC(=O)C1=CC=C(F)C=C1 HR128114 [0,0,0,0,2,0|1,0,0]=3 699 B10R1.13 CC(=O)C1=CC=C(F)N=C1 HR146805 [0,0,0,0,2,0|2,0,0]=4 700 B10R1.13 CC(=O)C1=CC=C(N)C=C1 HR3288 [0,0,0,0,2,0|1,0,0]=3 701 B10R1.13 CC(=O)C1=CC=C(N)N=C1 HR103125 [0,0,0,0,2,0|2,0,0]=4 702 B10R1.13 CC(=O)C1=CC=C(O)C=C1 HR132589 [0,0,0,0,2,0|1,0,0]=3 703 B10R1.13 CC(=O)C1=CC=C(O)C=C1 HR3311 [0,0,0,0,2,0|1,0,0]=3 704 B10R1.13 CC(=O)C1=CC=C(O)N=C1 HR148179 [0,0,0,0,2,0|2,0,0]=4 705 B10R1.13 CC(=O)C1=CC=[N+]([O-])C=C1 HR100579 [0,0,0,0,2,0|2,0,0]=4 706 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 HR126174 [0,0,0,0,2,0|2,0,0]=4 707 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 HR107781 [0,0,0,0,2,0|2,0,0]=4 708 B10R1.13 CC(=O)C1=NC=C(C)C=C1 HR33854 [0,0,0,0,2,0|1,0,0]=3 709 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 HR113967 [0,0,0,0,2,0|2,0,0]=4 710 B10R1.13 CC(=O)C1=NC=C(F)C=C1 HR150275 [0,0,0,0,2,0|2,0,0]=4 711 B10R1.13 CC(=O)C1=NC=C(N)C=C1 HR32717 [0,0,0,0,2,0|2,0,0]=4 712 B10R1.13 CC(=O)c1ccc(C)cc1 HR133680 [0,0,0,0,2,0|0,0,0]=2 713 B10R1.13 CC(=O)c1ccc(I)cc1 HR131406 [0,0,0,0,2,0|1,0,0]=3 714 B10R1.13 CC(=S)C1=CC=C(C)C=C1 ELSA04701 [0,0,0,0,2,0|0,1,0]=3 715 B10R1.13 CC1=CC=C(C(=N)N)C=C1 HR108013 [0,0,0,0,2,0|2,0,0]=4 716 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 HR132523 [0,0,0,0,2,0|1,0,0]=3 717 B10R1.13 CC1=CC=C(C(=O)O)C=C1 HR136853 [0,0,0,0,2,0|1,0,0]=3 718 B10R1.13 CC1=CC=C(C(C)O)C=C1 HR137011 [0,0,0,0,2,0|0,0,2]=4 719 B10R1.13 CC1=CC=C(C(N)=O)C=C1 HR105369 [0,0,0,0,2,0|1,0,0]=3 720 B10R1.13 CC1=CC=C(N(C)C)C=C1 HR135289 [0,0,0,0,2,0|2,0,0]=4 721 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 HR123683 [0,0,0,0,2,0|2,0,0]=4 722 B10R1.13 CC1=CC=C(S(N)=O)C=C1 HR112290 [0,0,0,0,2,0|2,0,0]=4 723 B10R1.13 CC1=CC=C(S(N)=O)C=C1 HR144536 [0,0,0,0,2,0|2,0,0]=4 724 B10R1.13 CC1=CN=C(C(=O)O)C=C1 HR103084 [0,0,0,0,2,0|2,0,0]=4 725 B10R1.13 CC1=NC=C(C(=O)O)C=C1 HR1218 [0,0,0,0,2,0|2,0,0]=4 726 B10R1.13 CC1=NC=C(C(N)=O)C=C1 HR110518 [0,0,0,0,2,0|2,0,0]=4 727 B10R1.13 Cc1ccc(C(C)C)cc1 HR116194 [0,0,0,0,2,0|1,0,1]=4 728 B10R1.13 Cc1ccc(S(=O)O)cc1 HR120435 [0,0,0,0,2,0|2,0,0]=4 729 B10R1.13 Cc1ccc(S(=O)[O-])cc1 HR119897 [0,0,0,0,2,0|2,0,0]=4 730 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 HR144307 [0,0,0,0,2,0|2,0,0]=4 731 B10R1.13 NC(=O)C1=CC=C(F)C=C1 HR130317 [0,0,0,0,2,0|2,0,0]=4 732 B10R1.13 NC(=O)C1=CC=C(N)C=C1 HR126193 [0,0,0,0,2,0|2,0,0]=4 733 B10R1.13 NC(=O)C1=CC=C(O)C=C1 HR129036 [0,0,0,0,2,0|2,0,0]=4 734 B10R1.13 NC1=CC=C(C(=O)O)C=C1 HR127522 [0,0,0,0,2,0|2,0,0]=4 735 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 HR131817 [0,0,0,0,2,0|2,0,0]=4 736 B10R1.13 Nc1ccc(C(=O)[O-])cc1 HR131549 [0,0,0,0,2,0|2,0,0]=4 737 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 HR133133 [0,0,0,0,2,0|2,0,0]=4 738 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 HR145088 [0,0,0,0,2,0|2,0,0]=4 739 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 HR3741 [0,0,0,0,2,0|2,0,0]=4 740 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 HR8985 [0,0,0,0,2,0|2,0,0]=4 741 B10R1.13 O=C(O)C1=CC=C(F)C=C1 HR131798 [0,0,0,0,2,0|2,0,0]=4 742 B10R1.13 O=C(O)C1=CC=C(I)C=C1 HR137638 [0,0,0,0,2,0|2,0,0]=4 743 B10R1.13 O=C(O)C1=CC=C(O)C=C1 HR132316 [0,0,0,0,2,0|2,0,0]=4 744 B10R1.13 O=C(O)C1=CC=C(S)C=C1 HR136377 [0,0,0,0,2,0|2,0,0]=4 745 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 HR143475 [0,0,0,0,2,0|2,0,0]=4 746 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 HR131382 [0,0,0,0,2,0|2,0,0]=4 747 B12R1.252 CC(=O)CCCC1=CC=CC=C1 HR146298 [1,0,0,0,0,1|0,0,0]=2 748 B12R1.252 CC(=O)NCCC1=CC=CC=C1 HR109426 [1,0,0,0,0,1|0,0,0]=2 749 B12R1.252 CC(=O)OCCC1=CC=CC=C1 HR125515 [1,0,0,0,0,1|0,0,0]=2 750 B12R1.252 CC(O)COCc1ccccc1 HR109733 [1,0,0,0,0,1|0,0,2]=4 751 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 HR115794 [1,0,0,0,0,1|1,0,0]=3 752 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 HR140519 [1,0,0,0,0,1|1,0,0]=3 753 B12R1.252 O=C(O)CCCC1=CC=CC=C1 HR124591 [1,0,0,0,0,1|1,0,0]=3 754 B12R1.252 O=C(O)CCCC1=NC=CC=C1 HR118250 [1,0,0,0,0,1|2,0,0]=4 755 B12R1.252 O=C(O)CCSC1=CC=CC=C1 HR111900 [1,0,0,0,0,1|1,0,0]=3 756 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HR111018 [1,0,0,0,0,1|1,0,0]=3 757 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HR132729 [1,0,0,0,0,1|1,0,0]=3 758 B12R1.252 O=C(O)COCC1=CC=CC=C1 HR136190 [1,0,0,0,0,1|1,0,0]=3 759 B12R1.252 O=C(O)CSCC1=CC=CC=C1 HR141291 [1,0,0,0,0,1|1,0,0]=3 760 B14R1.677 O=C(O)CCCCC1=CC=C(O)C=C1 HR145785 [0,0,0,0,0,2|2,0,0]=4 761 B14R1.677 O=C(O)CC\C=C\C1=CC=C(F)C=C1 HR135523 [0,0,0,0,0,2|2,0,0]=4