0 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 32309 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 D70581 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 73930 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 C78568 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.21 CC(=O)NNC1=CC=C(Br)C=C1 D83902 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 D97438 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.21 CC(=O)OCC1=CC=C(Cl)C=C1 C10410 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 C11421 [0,0,0,0,0,0|0,0,2]=2 8 B12R1.21 CC(C)NCC1=CC=C(N)C=C1 30538 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 76168 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 A50584 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 71044 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 AC7520 [0,0,0,0,0,0|2,0,2]=4 13 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 S10418 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 40371 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 A10202 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 T72839 [0,0,0,0,0,0|0,0,2]=2 17 B12R1.21 N=C(N)SCC1=CC=C(Cl)C=C1 AR2243 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.21 NC(=O)C#CC1=CC=C(Cl)C=C1 83540 [0,0,0,0,0,0|2,0,2]=4 19 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 35369 [0,0,0,0,0,0|2,0,0]=2 20 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 68781 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 CK2534 [0,0,0,0,0,0|2,0,2]=4 22 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AB3203 [0,0,0,0,0,0|2,0,0]=2 23 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 33552 [0,0,0,0,0,0|2,0,0]=2 24 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 AB7295 [0,0,0,0,0,0|2,0,0]=2 25 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 35011 [0,0,0,0,0,0|2,0,0]=2 26 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 AT13193 [0,0,0,0,0,0|1,0,0]=1 27 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 CS1182 [0,0,0,0,0,0|3,0,0]=3 28 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 A50579 [0,0,0,0,0,0|3,0,0]=3 29 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 A50588 [0,0,0,0,0,0|3,0,0]=3 30 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 A50587 [0,0,0,0,0,0|3,0,0]=3 31 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 78056 [0,0,0,0,0,0|3,0,0]=3 32 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 AT23403 [0,0,0,0,0,0|2,0,0]=2 33 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 W11890 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 75256 [0,0,0,0,0,0|3,0,0]=3 35 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 AB6442 [0,0,0,0,0,0|2,0,2]=4 36 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 S12285 [0,0,0,0,0,0|2,0,2]=4 37 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 78053 [0,0,0,0,0,0|2,0,2]=4 38 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 AC7879 [0,0,0,0,0,0|2,0,2]=4 39 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AC7957 [0,0,0,0,0,0|1,0,2]=3 40 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CK2547 [0,0,0,0,0,0|1,0,2]=3 41 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 O11065 [0,0,0,0,0,0|2,0,2]=4 42 B11R1.1 BrCCCC1=CC=C(Br)C=C1 AB12305 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 27051 [1,0,0,0,0,0|1,0,2]=4 44 B11R1.1 CCCCC1=CC=C(Br)C=C1 28617 [1,0,0,0,0,0|1,0,1]=3 45 B11R1.1 CCCCC1=CC=C(Cl)C=C1 D88987 [1,0,0,0,0,0|1,0,1]=3 46 B11R1.1 CCCCC1=CC=C(I)C=C1 O10393 [1,0,0,0,0,0|1,0,1]=3 47 B11R1.1 CCCCC1=CC=C(O)C=C1 D88733 [1,0,0,0,0,0|0,0,1]=2 48 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 A51103 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 C93467 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 C93476 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 S11229 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.1 CCCOC1=CC=C(Br)C=C1 AC8402 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.1 CCCOC1=CC=C(O)C=C1 D70163 [1,0,0,0,0,0|1,0,1]=3 54 B11R1.1 CCNCC1=CC=C(Br)C=C1 30536 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.1 CCNCC1=CC=C(Cl)C=C1 30537 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.1 CCNCC1=CC=C(F)C=C1 31187 [1,0,0,0,0,0|2,0,1]=4 57 B11R1.1 CCOCC1=CC=C(F)C=C1 I12057 [1,0,0,0,0,0|2,0,1]=4 58 B11R1.1 CNCCC1=CC=C(O)C=C1 W16881 [1,0,0,0,0,0|1,0,0]=2 59 B11R1.1 COCCC1=CC=C(O)C=C1 F11255 [1,0,0,0,0,0|1,0,0]=2 60 B11R1.1 COCOC1=CC=C(Br)C=C1 29154 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.1 COCOC1=CC=C(O)C=C1 D93617 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.1 CONCC1=CC=C(Cl)C=C1 D80709 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.1 ClCCCC1=CC=C(Br)C=C1 C13894 [1,0,0,0,0,0|2,0,1]=4 64 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 S10875 [1,0,0,0,0,0|2,0,1]=4 65 B11R1.1 N#CCCC1=CC=C(Cl)C=C1 F16130 [1,0,0,0,0,0|2,0,1]=4 66 B11R1.1 NCCCC1=CC=C(Cl)C=C1 F20044 [1,0,0,0,0,0|2,0,1]=4 67 B11R1.1 O=CCCC1=CC=C(F)C=C1 CL8850 [1,0,0,0,0,0|1,0,0]=2 68 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 78045 [1,0,0,0,0,0|1,0,2]=4 69 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 C10192 [1,0,0,0,0,0|1,0,2]=4 70 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 76119 [1,0,0,0,0,0|1,0,2]=4 71 B11R1.1 OCCCC1=CC=C(Br)C=C1 AB3206 [1,0,0,0,0,0|1,0,2]=4 72 B11R1.1 OCCCC1=CC=C(Cl)C=C1 W10512 [1,0,0,0,0,0|1,0,2]=4 73 B11R1.1 OCCCC1=CC=C(F)C=C1 AB3825 [1,0,0,0,0,0|1,0,2]=4 74 B11R1.1 OCCCC1=CC=C(O)C=C1 FD10610 [1,0,0,0,0,0|0,0,2]=3 75 B11R1.91 CC(=N)SCC1=CC=CC=C1 77568 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.91 CC(=O)CCC1=CC=CC=C1 P17497 [1,0,0,0,0,0|0,0,0]=1 77 B11R1.91 CC(=O)COC1=CC=CC=C1 34157 [1,0,0,0,0,0|1,0,0]=2 78 B11R1.91 CC(=O)NCC1=CC=CC=C1 D70359 [1,0,0,0,0,0|1,0,0]=2 79 B11R1.91 CC(=O)NNC1=CC=CC=C1 F11205 [1,0,0,0,0,0|2,0,0]=3 80 B11R1.91 CC(=O)OCC1=NC=CC=C1 C13980 [1,0,0,0,0,0|2,0,0]=3 81 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 D70186 [1,0,0,0,0,0|0,0,2]=3 82 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 D70528 [1,0,0,0,0,0|0,0,2]=3 83 B11R1.91 CC(C)NCC1=CC=CC=C1 C11247 [1,0,0,0,0,0|2,0,1]=4 84 B11R1.91 CN(C)CCC1=CC=CC=C1 F12470 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.91 C[C@H](Cl)COC1=CC=CC=C1 D91900 [1,0,0,0,0,0|2,0,1]=4 86 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 28916 [1,0,0,0,0,0|0,0,2]=3 87 B11R1.91 C[C@H](O)COC1=CC=CC=C1 D77637 [1,0,0,0,0,0|1,0,2]=4 88 B11R1.91 N=C(N)CCC1=CC=CC=C1 C15393 [1,0,0,0,0,0|2,0,0]=3 89 B11R1.91 N=C(N)NCC1=CC=CC=C1 D81805 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.91 N=C(N)SCC1=CC=CC=C1 D88650 [1,0,0,0,0,0|3,0,0]=4 91 B11R1.91 NC(=O)C#CC1=CC=CC=C1 83537 [1,0,0,0,0,0|1,0,2]=4 92 B11R1.91 NC(=O)CCC1=CC=CC=C1 S11404 [1,0,0,0,0,0|1,0,0]=2 93 B11R1.91 NC(=O)CNC1=CC=CC=C1 71765 [1,0,0,0,0,0|2,0,0]=3 94 B11R1.91 NC(=O)NCC1=CC=CC=C1 67608 [1,0,0,0,0,0|2,0,0]=3 95 B11R1.91 NC(=O)NNC1=CC=CC=C1 D91929 [1,0,0,0,0,0|3,0,0]=4 96 B11R1.91 NC(=O)OCC1=CC=CC=C1 11833 [1,0,0,0,0,0|2,0,0]=3 97 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 29382 [1,0,0,0,0,0|1,0,2]=4 98 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 AC7815 [1,0,0,0,0,0|1,0,2]=4 99 B11R1.91 NC(=S)NCC1=CC=CC=C1 D85863 [1,0,0,0,0,0|2,1,0]=4 100 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 78923 [1,0,0,0,0,0|1,0,0]=2 101 B11R1.91 O=C(O)C#CC1=CC=CC=C1 33950 [1,0,0,0,0,0|1,0,2]=4 102 B11R1.91 O=C(O)CCC1=CC=CC=C1 65006 [1,0,0,0,0,0|1,0,0]=2 103 B11R1.91 O=C(O)CCC1=CC=NC=C1 78791 [1,0,0,0,0,0|2,0,0]=3 104 B11R1.91 O=C(O)CCC1=CN=CC=C1 A10240 [1,0,0,0,0,0|2,0,0]=3 105 B11R1.91 O=C(O)CCC1=NC=CC=C1 S11406 [1,0,0,0,0,0|2,0,0]=3 106 B11R1.91 O=C(O)CNC1=CC=CC=C1 29550 [1,0,0,0,0,0|2,0,0]=3 107 B11R1.91 O=C(O)COC1=CC=CC=C1 D70383 [1,0,0,0,0,0|2,0,0]=3 108 B11R1.91 O=C(O)COC1=CN=CC=C1 D82223 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.91 O=C(O)COC1=NC=CC=C1 P18645 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.91 O=C(O)CSC1=CC=CC=C1 D70930 [1,0,0,0,0,0|2,0,0]=3 111 B11R1.91 O=C(O)CSC1=CC=NC=C1 F15983 [1,0,0,0,0,0|3,0,0]=4 112 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 D70605 [1,0,0,0,0,0|1,0,2]=4 113 B11R1.91 O=C([O-])C=CC1=CC=CC=C1 D82494 [1,0,0,0,0,0|1,0,2]=4 114 B11R1.91 O=C([O-])CNC1=CC=CC=C1 D91919 [1,0,0,0,0,0|2,0,0]=3 115 B11R1.91 O=C([O-])COC1=CC=CC=C1 D70384 [1,0,0,0,0,0|2,0,0]=3 116 B11R1.91 O=C([O-])COC1=CC=CC=C1 D79781 [1,0,0,0,0,0|2,0,0]=3 117 B11R1.91 OB(O)CCC1=CC=CC=C1 28933 [1,0,0,0,0,0|2,0,1]=4 118 B13R1.3 C=CC1=CC=C(COC(C)=O)C=C1 F17591 [0,1,0,0,0,0|2,0,0]=3 119 B13R1.3 CCC1=CC=C(CCC(=O)O)C=C1 F52865 [0,1,0,0,0,0|2,0,0]=3 120 B13R1.3 CCC1=CC=C(OCC(=O)O)C=C1 74020 [0,1,0,0,0,0|3,0,0]=4 121 B13R1.3 COC1=CC=C(CCC(=O)Cl)C=C1 20668 [0,1,0,0,0,0|1,0,0]=2 122 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 26099 [0,1,0,0,0,0|1,0,0]=2 123 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 D70489 [0,1,0,0,0,0|0,0,0]=1 124 B13R1.3 COC1=CC=C(CC[C@H](C)O)C=C1 D93078 [0,1,0,0,0,0|0,0,2]=3 125 B13R1.3 COC1=CC=C(CNC(N)=O)C=C1 S10890 [0,1,0,0,0,0|2,0,0]=3 126 B13R1.3 COC1=CC=C(COC(C)=O)C=C1 AC8426 [0,1,0,0,0,0|1,0,0]=2 127 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 A50583 [0,1,0,0,0,0|2,0,0]=3 128 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 A10220 [0,1,0,0,0,0|1,0,2]=4 129 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 57328 [0,1,0,0,0,0|2,0,0]=3 130 B13R1.3 N#CC1=CC=C(NCC(=O)O)C=C1 SC3501 [0,1,0,0,0,0|3,0,0]=4 131 B13R1.3 O=C(O)COC1=CC=C(CO)C=C1 33497 [0,1,0,0,0,0|2,0,0]=3 132 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 20462 [0,1,0,0,0,0|2,0,1]=4 133 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 36030 [0,1,0,0,0,0|1,0,0]=2 134 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 AB7500 [0,1,0,0,0,0|1,0,0]=2 135 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 AB7531 [0,1,0,0,0,0|1,0,0]=2 136 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 N12285 [0,1,0,0,0,0|1,0,0]=2 137 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 35778 [0,1,0,0,0,0|0,0,0]=1 138 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 68784 [0,1,0,0,0,0|2,0,0]=3 139 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 AC8692 [0,1,0,0,0,0|1,0,2]=4 140 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 F14966 [0,1,0,0,0,0|1,0,2]=4 141 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 H11404 [0,1,0,0,0,0|1,0,2]=4 142 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 35678 [0,1,0,0,0,0|1,0,2]=4 143 B13R1.14 COC(=O)\C=C\C1=CC=C(F)C=C1 W11678 [0,1,0,0,0,0|1,0,2]=4 144 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 35803 [0,1,0,0,0,0|0,0,2]=3 145 B13R1.14 NNC(=O)COC1=CC=C(F)C=C1 74024 [0,1,0,0,0,0|3,0,0]=4 146 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 61224 [0,1,0,0,0,0|1,0,1]=3 147 B13R1.132 CC1=CC=C([C@@H](N)CC(=O)O)C=C1 63828 [0,1,0,0,0,0|2,0,0]=3 148 B13R1.132 CC1=CC=C([C@@H](N)CC(=O)O)C=C1 63829 [0,1,0,0,0,0|2,0,0]=3 149 B13R1.132 CC1=CC=C([C@@H](N)CC(=O)O)C=C1 63830 [0,1,0,0,0,0|2,0,0]=3 150 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 56505 [0,1,0,0,0,0|2,0,0]=3 151 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 57806 [0,1,0,0,0,0|2,0,0]=3 152 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 57807 [0,1,0,0,0,0|2,0,0]=3 153 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 57808 [0,1,0,0,0,0|2,0,0]=3 154 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 61112 [0,1,0,0,0,0|2,0,0]=3 155 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 61113 [0,1,0,0,0,0|2,0,0]=3 156 B13R1.133 C=C(C)C(=O)NC1=CC=C(O)C=C1 D91010 [0,1,0,0,0,0|2,0,1]=4 157 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50113 [0,1,0,0,0,0|2,0,0]=3 158 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50212 [0,1,0,0,0,0|2,0,0]=3 159 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 F12350 [0,1,0,0,0,0|2,0,0]=3 160 B13R1.133 C[C@H](NC1=CC=C(F)C=C1)C(=O)O D83320 [0,1,0,0,0,0|3,0,0]=4 161 B13R1.133 C[C@H](OC1=CC=C(F)C=C1)C(=O)O AR3821 [0,1,0,0,0,0|3,0,0]=4 162 B13R1.133 C[C@H](OC1=CC=C(O)C=C1)C(=O)O D82499 [0,1,0,0,0,0|2,0,0]=3 163 B13R1.133 C[C@H](OC1=CC=C(O)C=C1)C(=O)O F11282 [0,1,0,0,0,0|2,0,0]=3 164 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 D83107 [0,1,0,0,0,0|1,0,0]=2 165 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 F12222 [0,1,0,0,0,0|2,0,0]=3 166 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 F16190 [0,1,0,0,0,0|2,0,0]=3 167 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 H10530 [0,1,0,0,0,0|2,0,0]=3 168 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 56074 [0,1,0,0,0,0|2,0,0]=3 169 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 56076 [0,1,0,0,0,0|2,0,0]=3 170 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O O10645 [0,1,0,0,0,0|2,0,0]=3 171 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 57471 [0,1,0,0,0,0|2,0,0]=3 172 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O F16492 [0,1,0,0,0,0|2,0,0]=3 173 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O N10776 [0,1,0,0,0,0|2,0,0]=3 174 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O N10779 [0,1,0,0,0,0|2,0,0]=3 175 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 28339 [0,1,0,0,0,0|2,0,0]=3 176 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 73289 [0,1,0,0,0,0|2,0,0]=3 177 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 73296 [0,1,0,0,0,0|2,0,0]=3 178 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O N12221 [0,1,0,0,0,0|2,0,0]=3 179 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O O10208 [0,1,0,0,0,0|2,0,0]=3 180 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 33929 [0,1,0,0,0,0|2,0,0]=3 181 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 59301 [0,1,0,0,0,0|2,0,0]=3 182 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 59303 [0,1,0,0,0,0|2,0,0]=3 183 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 29002 [0,1,0,0,0,0|1,0,0]=2 184 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O AC2634 [0,1,0,0,0,0|1,0,0]=2 185 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O D70837 [0,1,0,0,0,0|1,0,0]=2 186 B13R1.133 O=C(O)C(=O)CC1=CC=C(F)C=C1 A50653 [0,1,0,0,0,0|2,0,1]=4 187 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 FD10465 [0,1,0,0,0,0|1,0,1]=3 188 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(Br)C=C1 AC1171 [0,1,0,0,0,0|2,0,0]=3 189 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(Cl)C=C1 AC1675 [0,1,0,0,0,0|2,0,0]=3 190 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 71465 [0,1,0,0,0,0|2,0,0]=3 191 B13R1.164 CC1=C(OCC(=O)O)C=CC(Cl)=C1 H10107 [0,1,0,0,0,0|3,0,0]=4 192 B13R1.164 CC1=CC(C)=C(CCC(=O)O)C=C1 F52910 [0,1,0,0,0,0|2,0,0]=3 193 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Cl)C=C1 F52817 [0,1,0,0,0,0|2,0,0]=3 194 B13R1.164 O=C(O)CCC1=C(Cl)C=C(F)C=C1 F14499 [0,1,0,0,0,0|2,0,0]=3 195 B13R1.164 O=C(O)CCC1=C(F)C=C(Br)C=C1 F52876 [0,1,0,0,0,0|2,0,0]=3 196 B13R1.164 O=C(O)CCC1=C(F)C=C(Cl)C=C1 N11774 [0,1,0,0,0,0|2,0,0]=3 197 B13R1.164 O=C(O)CCC1=C(F)C=C(F)C=C1 75607 [0,1,0,0,0,0|2,0,0]=3 198 B13R1.164 O=C(O)COC1=C(O)C=C(Cl)C=C1 O10479 [0,1,0,0,0,0|3,0,0]=4 199 B13R1.164 O=C(O)CSC1=C(F)C=C(F)C=C1 W17961 [0,1,0,0,0,0|3,0,0]=4 200 B13R1.511 CC1=C(C)C=C(CCC(=O)O)C=C1 I11054 [0,1,0,0,0,0|2,0,0]=3 201 B13R1.511 O=C(O)CCC1=CC(Br)=C(F)C=C1 93244 [0,1,0,0,0,0|2,0,0]=3 202 B13R1.511 O=C(O)CCC1=CC(Cl)=C(Cl)C=C1 Y10268 [0,1,0,0,0,0|2,0,0]=3 203 B13R1.511 O=C(O)CCC1=CC(F)=C(Cl)C=C1 25212 [0,1,0,0,0,0|2,0,0]=3 204 B13R1.511 O=C(O)CCC1=CC(F)=C(F)C=C1 75618 [0,1,0,0,0,0|2,0,0]=3 205 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 A50643 [0,1,0,0,0,0|1,0,0]=2 206 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 42364 [0,1,0,0,0,0|1,0,2]=4 207 B13R1.512 CS(=O)(=O)NCC1=CC=C(Cl)C=C1 D80716 [0,1,0,0,0,0|3,0,0]=4 208 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 32390 [0,0,0,1,0,0|1,0,0]=2 209 B13R2.155 NC1=CC2=C(C=C1)CCC(=O)N2 51556 [0,0,0,1,0,0|2,0,0]=3 210 B13R2.155 NC1=CC2=C(C=C1)NCC(=O)N2 51504 [0,0,0,1,0,0|3,0,0]=4 211 B13R2.155 NC1=CC2=C(C=C1)OCC(=O)N2 76335 [0,0,0,1,0,0|3,0,0]=4 212 B13R2.155 NC1=CC2=NC(=O)CN=C2C=C1 D82106 [0,0,0,1,0,0|3,0,0]=4 213 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)N1 FD7357 [0,0,0,1,0,0|1,0,2]=4 214 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 36682 [0,0,0,1,0,0|1,0,2]=4 215 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)N1 56602 [0,0,0,1,0,0|2,0,0]=3 216 B13R2.155 O=C1CCC2=C(C=C(Cl)C=C2)C1 24200 [0,0,0,1,0,0|1,0,0]=2 217 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)C1 25406 [0,0,0,1,0,0|1,0,0]=2 218 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)N1 69689 [0,0,0,1,0,0|2,0,0]=3 219 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)N1 FD18013 [0,0,0,1,0,0|1,0,0]=2 220 B13R2.155 O=C1CNC2=C(C=C(Br)C=C2)N1 C13995 [0,0,0,1,0,0|3,0,0]=4 221 B13R2.155 O=C1COC2=C(C=C(Br)C=C2)N1 54804 [0,0,0,1,0,0|3,0,0]=4 222 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)N1 77315 [0,0,0,1,0,0|3,0,0]=4 223 B13R2.155 O=C1NC2=C(C=CC(Br)=C2)CO1 AC2166 [0,0,0,1,0,0|3,0,0]=4 224 B13R2.3791 CC1(C)CCC2=C1C=C(Br)C=C2 AC2121 [0,0,0,1,0,0|2,0,1]=4 225 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 CL9059 [0,0,0,0,1,0|1,0,0]=2 226 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 N11980 [0,0,0,0,1,0|1,0,0]=2 227 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 S10960 [0,0,0,0,1,0|1,0,0]=2 228 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 CL9158 [0,0,0,0,1,0|1,0,0]=2 229 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 D71238 [0,0,0,0,1,0|2,0,0]=3 230 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 11780 [0,0,0,0,1,0|2,0,0]=3 231 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 TD1001 [0,0,0,0,1,0|2,0,0]=3 232 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 20004 [0,0,0,0,1,0|2,0,0]=3 233 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 F21272 [0,0,0,0,1,0|2,0,0]=3 234 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 AC8790 [0,0,0,0,1,0|1,0,0]=2 235 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 46002 [0,0,0,0,1,0|3,0,0]=4 236 B11R1.20 CC(=O)NC1=NC=C(N)C=C1 22249 [0,0,0,0,1,0|3,0,0]=4 237 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 I10246 [0,0,0,0,1,0|2,0,0]=3 238 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 F19619 [0,0,0,0,1,0|2,0,0]=3 239 B11R1.20 CC(=O)OC1=CC=C(Cl)C=C1 A51155 [0,0,0,0,1,0|2,0,0]=3 240 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 34627 [0,0,0,0,1,0|2,0,0]=3 241 B11R1.20 CC(=O)OC1=CC=C(I)C=C1 H11537 [0,0,0,0,1,0|2,0,0]=3 242 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 AC1885 [0,0,0,0,1,0|2,0,0]=3 243 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 W10553 [0,0,0,0,1,0|1,0,0]=2 244 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 34723 [0,0,0,0,1,0|2,0,1]=4 245 B11R1.20 CC(C)CC1=CC=C(I)C=C1 D94791 [0,0,0,0,1,0|2,0,1]=4 246 B11R1.20 CC(C)CC1=CC=C(N)C=C1 N12506 [0,0,0,0,1,0|2,0,1]=4 247 B11R1.20 CC(C)OC1=CC=C(O)C=C1 78799 [0,0,0,0,1,0|2,0,1]=4 248 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 73716 [0,0,0,0,1,0|2,0,0]=3 249 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 D92325 [0,0,0,0,1,0|3,0,0]=4 250 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 RB3375 [0,0,0,0,1,0|3,0,0]=4 251 B11R1.20 CC1=NC=C(CC(=O)O)C=C1 76381 [0,0,0,0,1,0|3,0,0]=4 252 B11R1.20 CN(C)CC1=CC=C(Br)C=C1 D97623 [0,0,0,0,1,0|3,0,0]=4 253 B11R1.20 CN(C)CC1=CC=C(N)C=C1 34677 [0,0,0,0,1,0|3,0,0]=4 254 B11R1.20 CN(C)CC1=CC=C(O)C=C1 C80067 [0,0,0,0,1,0|2,0,0]=3 255 B11R1.20 C[C@H](N)CC1=CC=C(F)C=C1 BL000373 [0,0,0,0,1,0|2,0,1]=4 256 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 D97484 [0,0,0,0,1,0|2,0,0]=3 257 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 84998 [0,0,0,0,1,0|2,0,0]=3 258 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 S12297 [0,0,0,0,1,0|1,0,0]=2 259 B11R1.20 NC(=O)NC1=CC=C(Br)C=C1 F20475 [0,0,0,0,1,0|3,0,0]=4 260 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 D84244 [0,0,0,0,1,0|3,0,0]=4 261 B11R1.20 NC(=O)NC1=CC=C(F)C=C1 D90690 [0,0,0,0,1,0|3,0,0]=4 262 B11R1.20 NC(=S)NC1=CC=C(O)C=C1 AB7339 [0,0,0,0,1,0|2,1,0]=4 263 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 AC7503 [0,0,0,0,1,0|2,0,0]=3 264 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 D81755 [0,0,0,0,1,0|2,0,0]=3 265 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 P16509 [0,0,0,0,1,0|2,0,0]=3 266 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 D70527 [0,0,0,0,1,0|2,0,0]=3 267 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 25500 [0,0,0,0,1,0|2,0,0]=3 268 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 33451 [0,0,0,0,1,0|2,0,0]=3 269 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 AC7824 [0,0,0,0,1,0|1,0,0]=2 270 B11R1.20 O=C(O)CC1=CN=C(Cl)C=C1 57816 [0,0,0,0,1,0|3,0,0]=4 271 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 36095 [0,0,0,0,1,0|3,0,0]=4 272 B13R1.513 CC(=O)NCCC1=CC=C(O)C=C1 Y10620 [0,0,0,0,0,1|0,0,0]=1 273 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 66770 [0,0,0,0,0,1|2,0,0]=3 274 B13R1.513 CN(C)CCOC1=CC=C(Br)C=C1 D58460 [0,0,0,0,0,1|3,0,0]=4 275 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 33990 [0,0,0,0,0,1|2,0,0]=3 276 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 F13641 [0,0,0,0,0,1|2,0,0]=3 277 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 S10904 [0,0,0,0,0,1|2,0,0]=3 278 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 61020 [0,0,0,0,0,1|2,0,0]=3 279 B13R1.513 O=C(O)CCCC1=CC=C(I)C=C1 VT1082 [0,0,0,0,0,1|2,0,0]=3 280 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 25617 [0,0,0,0,0,1|1,0,0]=2 281 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 AC7980 [0,0,0,0,0,1|2,0,0]=3 282 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 75626 [0,0,0,0,0,1|2,0,0]=3 283 B10R1.1 BrC1=CC=C(CCI)C=C1 68585 [2,0,0,0,0,0|2,0,0]=4 284 B10R1.1 BrCCC1=CC=C(Br)C=C1 68581 [2,0,0,0,0,0|2,0,0]=4 285 B10R1.1 CC1=CC=C(CC=O)C=C1 W16820 [2,0,0,0,0,0|1,0,0]=3 286 B10R1.1 CC1=CC=C(CCBr)C=C1 64231 [2,0,0,0,0,0|2,0,0]=4 287 B10R1.1 CC1=CC=C(CCN)C=C1 66611 [2,0,0,0,0,0|2,0,0]=4 288 B10R1.1 CC1=CC=C(CCN)C=C1 66612 [2,0,0,0,0,0|2,0,0]=4 289 B10R1.1 CC1=CC=C(CCO)C=C1 CK2469 [2,0,0,0,0,0|1,0,1]=4 290 B10R1.1 CC1=CC=C(NC=O)C=C1 D85912 [2,0,0,0,0,0|2,0,0]=4 291 B10R1.1 CCCC1=CC=C(Br)C=C1 36843 [2,0,0,0,0,0|1,0,0]=3 292 B10R1.1 CCCC1=CC=C(Cl)C=C1 D89488 [2,0,0,0,0,0|1,0,0]=3 293 B10R1.1 CCCC1=CC=C(N)C=C1 F11809 [2,0,0,0,0,0|1,0,0]=3 294 B10R1.1 CCCC1=CC=C(O)C=C1 F16572 [2,0,0,0,0,0|0,0,0]=2 295 B10R1.1 CCNC1=CC=C(Cl)C=C1 D84614 [2,0,0,0,0,0|2,0,0]=4 296 B10R1.1 CCOC1=CC=C(Br)C=C1 AC1306 [2,0,0,0,0,0|2,0,0]=4 297 B10R1.1 CCOC1=CC=C(F)C=C1 C13912 [2,0,0,0,0,0|2,0,0]=4 298 B10R1.1 CCOC1=CC=C(I)C=C1 25454 [2,0,0,0,0,0|2,0,0]=4 299 B10R1.1 CCOC1=CC=C(O)C=C1 23058 [2,0,0,0,0,0|1,0,0]=3 300 B10R1.1 CCSC1=CC=C(Br)C=C1 H10118 [2,0,0,0,0,0|2,0,0]=4 301 B10R1.1 CNCC1=CC=C(Br)C=C1 30718 [2,0,0,0,0,0|2,0,0]=4 302 B10R1.1 CNCC1=CC=C(Br)C=C1 34885 [2,0,0,0,0,0|2,0,0]=4 303 B10R1.1 CNCC1=CC=C(C)C=C1 31931 [2,0,0,0,0,0|2,0,0]=4 304 B10R1.1 CNCC1=CC=C(C)C=C1 35837 [2,0,0,0,0,0|2,0,0]=4 305 B10R1.1 CNCC1=CC=C(Cl)C=C1 23650 [2,0,0,0,0,0|2,0,0]=4 306 B10R1.1 CNCC1=CC=C(Cl)C=C1 32294 [2,0,0,0,0,0|2,0,0]=4 307 B10R1.1 CNCC1=CC=C(F)C=C1 48475 [2,0,0,0,0,0|2,0,0]=4 308 B10R1.1 CNCC1=CC=C(N)C=C1 28703 [2,0,0,0,0,0|2,0,0]=4 309 B10R1.1 COCC1=CC=C(Br)C=C1 N10190 [2,0,0,0,0,0|2,0,0]=4 310 B10R1.1 COCC1=CC=C(Cl)C=C1 N10137 [2,0,0,0,0,0|2,0,0]=4 311 B10R1.1 COCC1=CC=C(N)C=C1 29846 [2,0,0,0,0,0|2,0,0]=4 312 B10R1.1 ClC1=CC=C(CCBr)C=C1 CL8864 [2,0,0,0,0,0|2,0,0]=4 313 B10R1.1 ClCCC1=CC=C(Cl)C=C1 35628 [2,0,0,0,0,0|2,0,0]=4 314 B10R1.1 FC1=CC=C(CCBr)C=C1 23623 [2,0,0,0,0,0|2,0,0]=4 315 B10R1.1 N#CCC1=CC=C(O)C=C1 74178 [2,0,0,0,0,0|1,0,1]=4 316 B10R1.1 NC1=CC=C(CCBr)C=C1 D92972 [2,0,0,0,0,0|2,0,0]=4 317 B10R1.1 NC1=CC=C(CCO)C=C1 20136 [2,0,0,0,0,0|1,0,1]=4 318 B10R1.1 NCCC1=CC=C(Br)C=C1 56022 [2,0,0,0,0,0|2,0,0]=4 319 B10R1.1 NCCC1=CC=C(Br)C=C1 56042 [2,0,0,0,0,0|2,0,0]=4 320 B10R1.1 NCCC1=CC=C(Cl)C=C1 57784 [2,0,0,0,0,0|2,0,0]=4 321 B10R1.1 NCCC1=CC=C(Cl)C=C1 57785 [2,0,0,0,0,0|2,0,0]=4 322 B10R1.1 NCCC1=CC=C(F)C=C1 61110 [2,0,0,0,0,0|2,0,0]=4 323 B10R1.1 NCCC1=CC=C(F)C=C1 D97693 [2,0,0,0,0,0|2,0,0]=4 324 B10R1.1 NCCC1=CC=C(N)C=C1 51454 [2,0,0,0,0,0|2,0,0]=4 325 B10R1.1 NCCC1=CC=C(N)C=C1 51455 [2,0,0,0,0,0|2,0,0]=4 326 B10R1.1 NCCC1=CC=C(O)C=C1 AC1814 [2,0,0,0,0,0|1,0,0]=3 327 B10R1.1 NCCC1=CC=C(O)C=C1 S12325 [2,0,0,0,0,0|1,0,0]=3 328 B10R1.1 O=CCC1=CC=C(Br)C=C1 68586 [2,0,0,0,0,0|1,0,0]=3 329 B10R1.1 O=CCC1=CC=C(F)C=C1 H10605 [2,0,0,0,0,0|1,0,0]=3 330 B10R1.1 O=CNC1=CC=C(Cl)C=C1 57440 [2,0,0,0,0,0|2,0,0]=4 331 B10R1.1 OC1=CC=C(CCBr)C=C1 C10633 [2,0,0,0,0,0|1,0,0]=3 332 B10R1.1 OCCC1=CC=C(Br)C=C1 56096 [2,0,0,0,0,0|1,0,1]=4 333 B10R1.1 OCCC1=CC=C(Cl)C=C1 CK2459 [2,0,0,0,0,0|1,0,1]=4 334 B10R1.1 OCCC1=CC=C(F)C=C1 67685 [2,0,0,0,0,0|1,0,1]=4 335 B10R1.1 OCCC1=CC=C(I)C=C1 23437 [2,0,0,0,0,0|1,0,1]=4 336 B10R1.1 OCCC1=CC=C(O)C=C1 36252 [2,0,0,0,0,0|0,0,1]=3 337 B10R1.17 BrCCCC1=CC=CC=C1 D78162 [2,0,0,0,0,0|1,0,1]=4 338 B10R1.17 C#CCCC1=CC=CC=C1 D74342 [2,0,0,0,0,0|0,0,2]=4 339 B10R1.17 C=CCNC1=CC=CC=C1 D88344 [2,0,0,0,0,0|1,0,1]=4 340 B10R1.17 C=CCOC1=CC=CC=C1 D77750 [2,0,0,0,0,0|1,0,1]=4 341 B10R1.17 C=CCSC1=CC=CC=C1 S12094 [2,0,0,0,0,0|1,0,1]=4 342 B10R1.17 C=COCC1=CC=CC=C1 P11489 [2,0,0,0,0,0|1,0,1]=4 343 B10R1.17 CCCCC1=CC=CC=C1 H11923 [2,0,0,0,0,0|0,0,1]=3 344 B10R1.17 CCCCC1=CC=CN=C1 F20500 [2,0,0,0,0,0|1,0,1]=4 345 B10R1.17 CCCC[N+]1=CC=CC=C1 C93409 [2,0,0,0,0,0|1,0,1]=4 346 B10R1.17 CCCC[N+]1=CC=CC=C1 C93435 [2,0,0,0,0,0|1,0,1]=4 347 B10R1.17 CCCC[N+]1=CC=CC=C1 C93442 [2,0,0,0,0,0|1,0,1]=4 348 B10R1.17 CCCC[N+]1=CC=CC=C1 C93518 [2,0,0,0,0,0|1,0,1]=4 349 B10R1.17 CCCNC1=CC=CC=C1 D91987 [2,0,0,0,0,0|1,0,1]=4 350 B10R1.17 CCOCC1=CC=CC=C1 F30115 [2,0,0,0,0,0|1,0,1]=4 351 B10R1.17 CNCCC1=CC=CC=C1 AR1058 [2,0,0,0,0,0|1,0,0]=3 352 B10R1.17 CNCCC1=CC=NC=C1 64165 [2,0,0,0,0,0|2,0,0]=4 353 B10R1.17 CNCCC1=CC=NC=C1 AR3935 [2,0,0,0,0,0|2,0,0]=4 354 B10R1.17 CNCCC1=NC=CC=C1 23018 [2,0,0,0,0,0|2,0,0]=4 355 B10R1.17 CNCCC1=NC=CC=C1 AR1013 [2,0,0,0,0,0|2,0,0]=4 356 B10R1.17 CNCCC1=NC=CC=C1 D87714 [2,0,0,0,0,0|2,0,0]=4 357 B10R1.17 COCSC1=CC=CC=C1 D91464 [2,0,0,0,0,0|2,0,0]=4 358 B10R1.17 ClCCCC1=CC=CC=C1 S12344 [2,0,0,0,0,0|1,0,1]=4 359 B10R1.17 N#CCCC1=CC=CC=C1 D91984 [2,0,0,0,0,0|1,0,1]=4 360 B10R1.17 NCCCC1=CC=CC=C1 S10208 [2,0,0,0,0,0|1,0,1]=4 361 B10R1.17 O=C=NCC1=CC=CC=C1 D91149 [2,0,0,0,0,0|1,0,1]=4 362 B10R1.17 O=CC#CC1=CC=CC=C1 TD1326 [2,0,0,0,0,0|0,0,2]=4 363 B10R1.17 O=CCCC1=CC=CC=C1 C10629 [2,0,0,0,0,0|0,0,0]=2 364 B10R1.17 O=CNCC1=CC=CC=C1 D72481 [2,0,0,0,0,0|1,0,0]=3 365 B10R1.17 O=COCC1=CC=CC=C1 D70183 [2,0,0,0,0,0|1,0,0]=3 366 B10R1.17 O=C\C=C\C1=CC=CC=C1 D72477 [2,0,0,0,0,0|0,0,2]=4 367 B10R1.17 OCCCC1=CC=CC=C1 AC1807 [2,0,0,0,0,0|0,0,2]=4 368 B12R1.1 BrCCCCC1=CC=C(Br)C=C1 D80497 [1,1,0,0,0,0|1,0,1]=4 369 B12R1.1 CCCCCC1=CC=C(Br)C=C1 28615 [1,1,0,0,0,0|1,0,1]=4 370 B12R1.1 CCCCCC1=CC=C(N)C=C1 D88359 [1,1,0,0,0,0|1,0,1]=4 371 B12R1.1 CCCCCC1=CC=C(O)C=C1 27300 [1,1,0,0,0,0|0,0,1]=3 372 B12R1.1 CCCCOC1=CC=C(N)C=C1 D70221 [1,1,0,0,0,0|1,0,1]=4 373 B12R1.1 CCCCOC1=CC=C(O)C=C1 D70503 [1,1,0,0,0,0|0,0,1]=3 374 B12R1.1 COCCOC1=CC=C(Br)C=C1 88344 [1,1,0,0,0,0|2,0,0]=4 375 B12R1.1 COCCOC1=CC=C(N)C=C1 24464 [1,1,0,0,0,0|2,0,0]=4 376 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 28693 [1,1,0,0,0,0|0,0,2]=4 377 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 N12380 [1,1,0,0,0,0|1,0,1]=4 378 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 D92240 [1,1,0,0,0,0|1,0,0]=3 379 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 42155 [1,1,0,0,0,0|1,0,0]=3 380 B12R1.49 CNC(=O)CC1=CC=C(O)C=C1 W17425 [1,1,0,0,0,0|1,0,1]=4 381 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 35758 [1,1,0,0,0,0|1,0,1]=4 382 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 C10910 [1,1,0,0,0,0|0,0,2]=4 383 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 D97455 [1,1,0,0,0,0|0,0,2]=4 384 B12R1.69 CCCCC1=C(O)C=C(O)C=C1 74014 [1,1,0,0,0,0|0,0,1]=3 385 B12R1.71 C#CC1=CC=C(CCCC)C=C1 21008 [1,1,0,0,0,0|1,0,1]=4 386 B12R1.71 CCCCC1=CC=C(C#N)C=C1 D97359 [1,1,0,0,0,0|1,0,1]=4 387 B12R1.71 CCCCC1=CC=C(C=O)C=C1 D86806 [1,1,0,0,0,0|0,0,2]=4 388 B12R1.71 CCCCC1=CC=C(CBr)C=C1 H10199 [1,1,0,0,0,0|1,0,1]=4 389 B12R1.71 CCCCC1=CC=C(CN)C=C1 D81948 [1,1,0,0,0,0|1,0,1]=4 390 B12R1.71 CCNCC1=CC=C(OC)C=C1 30822 [1,1,0,0,0,0|1,0,1]=4 391 B12R1.71 CCNCC1=CC=C(OC)C=C1 AC2482 [1,1,0,0,0,0|1,0,1]=4 392 B12R1.71 CNCCC1=CC=C(OC)C=C1 29820 [1,1,0,0,0,0|1,0,0]=3 393 B12R1.71 COC1=CC=C(CCCN)C=C1 64244 [1,1,0,0,0,0|1,0,1]=4 394 B12R1.71 COC1=CC=C(CCCN)C=C1 64245 [1,1,0,0,0,0|1,0,1]=4 395 B12R1.71 COC1=CC=C(CCCO)C=C1 F52593 [1,1,0,0,0,0|0,0,2]=4 396 B12R1.71 COC1=CC=C(CNC=O)C=C1 AB9534 [1,1,0,0,0,0|1,0,0]=3 397 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 D82618 [1,1,0,0,0,0|0,0,2]=4 398 B12R1.385 CCCCC1=CC(C)=C(N)C=C1 D86259 [1,1,0,0,0,0|1,0,1]=4 399 B12R1.385 CCCCC1=CC(O)=C(O)C=C1 D84238 [1,1,0,0,0,0|0,0,1]=3 400 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 87488 [1,1,0,0,0,0|1,0,1]=4 401 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 AB6137 [1,1,0,0,0,0|1,0,1]=4 402 B12R1.27 COC(=O)C#CC1=CC=CC=C1 D70333 [1,1,0,0,0,0|0,0,2]=4 403 B12R1.27 COC(=O)CCC1=CC=CC=C1 AC8659 [1,1,0,0,0,0|0,0,0]=2 404 B12R1.27 COC(=O)CCC1=CN=CC=C1 D94758 [1,1,0,0,0,0|1,0,0]=3 405 B12R1.27 COC(=O)COC1=CC=CC=C1 D70332 [1,1,0,0,0,0|1,0,0]=3 406 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 P16737 [1,1,0,0,0,0|0,0,2]=4 407 B12R1.27 NCC(=O)NCC1=CC=CC=C1 D97353 [1,1,0,0,0,0|1,0,0]=3 408 B12R1.27 NCC(=O)NCC1=CC=CC=C1 F21128 [1,1,0,0,0,0|1,0,0]=3 409 B12R1.27 NCC(=O)OCC1=CC=CC=C1 20050 [1,1,0,0,0,0|1,0,0]=3 410 B12R1.27 NCC(=O)OCC1=CC=CC=C1 FD21614 [1,1,0,0,0,0|1,0,0]=3 411 B12R1.27 NCC(=O)OCC1=CC=CC=C1 FD21621 [1,1,0,0,0,0|1,0,0]=3 412 B12R1.27 NNC(=O)CCC1=CC=CC=C1 W15768 [1,1,0,0,0,0|1,0,0]=3 413 B12R1.27 NNC(=O)COC1=CC=CC=C1 D84136 [1,1,0,0,0,0|2,0,0]=4 414 B12R1.27 NNC(=O)OCC1=CC=CC=C1 C93486 [1,1,0,0,0,0|2,0,0]=4 415 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 P19617 [1,1,0,0,0,0|1,0,0]=3 416 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 S11886 [1,1,0,0,0,0|1,0,0]=3 417 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 76813 [1,1,0,0,0,0|1,0,0]=3 418 B12R1.27 O=C(CO)OCC1=CC=CC=C1 AB8174 [1,1,0,0,0,0|1,0,0]=3 419 B12R1.27 O=C(CS)OCC1=CC=CC=C1 D96019 [1,1,0,0,0,0|1,0,0]=3 420 B12R1.27 O=C(NO)OCC1=CC=CC=C1 70490 [1,1,0,0,0,0|2,0,0]=4 421 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O F13740 [1,1,0,0,0,0|1,0,1]=4 422 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O 65146 [1,1,0,0,0,0|2,0,0]=4 423 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O AR3815 [1,1,0,0,0,0|2,0,0]=4 424 B12R1.43 C[C@H](OC1=CC=CC=C1)C(N)=O AR2180 [1,1,0,0,0,0|2,0,0]=4 425 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 39405 [1,1,0,0,0,0|1,0,0]=3 426 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10543 [1,1,0,0,0,0|1,0,0]=3 427 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10920 [1,1,0,0,0,0|1,0,0]=3 428 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10983 [1,1,0,0,0,0|1,0,0]=3 429 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F11007 [1,1,0,0,0,0|1,0,0]=3 430 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 28345 [1,1,0,0,0,0|1,0,0]=3 431 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O AC8117 [1,1,0,0,0,0|1,0,0]=3 432 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C10470 [1,1,0,0,0,0|1,0,0]=3 433 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O D77851 [1,1,0,0,0,0|1,0,0]=3 434 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 50941 [1,1,0,0,0,0|2,0,0]=4 435 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O C10909 [1,1,0,0,0,0|2,0,0]=4 436 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O O10212 [1,1,0,0,0,0|2,0,0]=4 437 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O W16799 [1,1,0,0,0,0|2,0,0]=4 438 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 24145 [1,1,0,0,0,0|2,0,0]=4 439 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 34743 [1,1,0,0,0,0|2,0,0]=4 440 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O C74797 [1,1,0,0,0,0|2,0,0]=4 441 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O H10629 [1,1,0,0,0,0|2,0,0]=4 442 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A50237 [1,1,0,0,0,0|2,0,0]=4 443 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A50238 [1,1,0,0,0,0|2,0,0]=4 444 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A50249 [1,1,0,0,0,0|2,0,0]=4 445 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 D91915 [1,1,0,0,0,0|1,0,1]=4 446 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 H11389 [1,1,0,0,0,0|1,0,0]=3 447 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AC1610 [1,1,0,0,0,0|1,0,0]=3 448 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 FD1244 [1,1,0,0,0,0|1,0,0]=3 449 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 FD1250 [1,1,0,0,0,0|1,0,0]=3 450 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 77874 [1,1,0,0,0,0|0,0,1]=3 451 B12R1.107 CC(=O)CC(=O)C1=CC=NC=C1 W15978 [1,1,0,0,0,0|1,0,1]=4 452 B12R1.107 CC(=O)N[C@@H](C)C1=CC=CC=C1 AC2474 [1,1,0,0,0,0|1,0,0]=3 453 B12R1.107 CC(=O)N[C@@H](C)C1=CC=CC=C1 C11678 [1,1,0,0,0,0|1,0,0]=3 454 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 AR3518 [1,1,0,0,0,0|2,0,0]=4 455 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 65104 [1,1,0,0,0,0|1,0,0]=3 456 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 65105 [1,1,0,0,0,0|1,0,0]=3 457 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 65106 [1,1,0,0,0,0|1,0,0]=3 458 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 F12097 [1,1,0,0,0,0|1,0,0]=3 459 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 FD1091 [1,1,0,0,0,0|2,0,0]=4 460 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 N12395 [1,1,0,0,0,0|2,0,0]=4 461 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 FD1325 [1,1,0,0,0,0|1,0,0]=3 462 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 CL8849 [1,1,0,0,0,0|1,0,0]=3 463 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 S12092 [1,1,0,0,0,0|2,0,0]=4 464 B12R1.125 NC(=O)CCC1=C(O)C=CC=C1 D84146 [1,1,0,0,0,0|1,0,0]=3 465 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 AB3202 [1,1,0,0,0,0|1,0,0]=3 466 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 75611 [1,1,0,0,0,0|1,0,0]=3 467 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 AB3822 [1,1,0,0,0,0|1,0,0]=3 468 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 S10171 [1,1,0,0,0,0|1,0,0]=3 469 B12R1.125 O=C(O)CCC1=C(O)C=CC=C1 F16128 [1,1,0,0,0,0|1,0,0]=3 470 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 FD10490 [1,1,0,0,0,0|2,0,0]=4 471 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 30753 [1,1,0,0,0,0|2,0,0]=4 472 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C13412 [1,1,0,0,0,0|2,0,0]=4 473 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 66560 [1,1,0,0,0,0|1,0,0]=3 474 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 F16054 [1,1,0,0,0,0|2,0,0]=4 475 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 I11525 [1,1,0,0,0,0|1,0,0]=3 476 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 33491 [1,1,0,0,0,0|1,0,0]=3 477 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 33548 [1,1,0,0,0,0|1,0,0]=3 478 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 34301 [1,1,0,0,0,0|1,0,0]=3 479 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 61032 [1,1,0,0,0,0|1,0,0]=3 480 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 Y10997 [1,1,0,0,0,0|2,0,0]=4 481 B12R1.226 O=C(O)COC1=CC=CC(Cl)=C1 37702 [1,1,0,0,0,0|2,0,0]=4 482 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 38120 [1,1,0,0,0,0|2,0,0]=4 483 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 CL8740 [1,1,0,0,0,0|2,0,0]=4 484 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 50340 [0,1,0,0,1,0|2,0,0]=4 485 B12R1.4 CC(=O)CC1=CC=C(C#N)C=C1 D84247 [0,1,0,0,1,0|1,0,0]=3 486 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 35468 [0,1,0,0,1,0|2,0,0]=4 487 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 CK2088 [0,1,0,0,1,0|1,0,1]=4 488 B12R1.4 CC(=O)NC1=CC=C(CO)C=C1 20522 [0,1,0,0,1,0|1,0,0]=3 489 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 20466 [0,1,0,0,1,0|1,0,1]=4 490 B12R1.4 CC(=O)OC1=CC=C(CBr)C=C1 A51165 [0,1,0,0,1,0|2,0,0]=4 491 B12R1.4 CC(=O)OC1=CC=C(CCl)C=C1 F10379 [0,1,0,0,1,0|2,0,0]=4 492 B12R1.4 CC(=O)OC1=CC=C(CO)C=C1 D80495 [0,1,0,0,1,0|1,0,0]=3 493 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 34183 [0,1,0,0,1,0|1,0,0]=3 494 B12R1.4 CCC1=CC=C(OC(C)=O)C=C1 D88417 [0,1,0,0,1,0|2,0,0]=4 495 B12R1.4 COC1=CC=C(CC(=O)Cl)C=C1 D78187 [0,1,0,0,1,0|1,0,0]=3 496 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 D70488 [0,1,0,0,1,0|1,0,0]=3 497 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 26091 [0,1,0,0,1,0|0,0,0]=2 498 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 63938 [0,1,0,0,1,0|1,0,0]=3 499 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 C10221 [0,1,0,0,1,0|1,0,0]=3 500 B12R1.4 COC1=CN=C(CC(=O)O)C=C1 88383 [0,1,0,0,1,0|2,0,0]=4 501 B12R1.4 COC1=NC=C(CC(=O)O)C=C1 32328 [0,1,0,0,1,0|2,0,0]=4 502 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 F11769 [0,1,0,0,1,0|1,1,0]=4 503 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 59528 [0,1,0,0,1,0|2,0,0]=4 504 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 75935 [0,1,0,0,1,0|2,0,0]=4 505 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 11292 [0,1,0,0,1,0|2,0,0]=4 506 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 H10579 [0,1,0,0,1,0|1,0,0]=3 507 B12R1.19 CC(=O)NC1=CC(Br)=C(C)C=C1 D84576 [0,1,0,0,1,0|2,0,0]=4 508 B12R1.19 CC(=O)NC1=CC(Br)=C(F)C=C1 32187 [0,1,0,0,1,0|2,0,0]=4 509 B12R1.19 CC(=O)NC1=CC(C)=C(Br)C=C1 D88986 [0,1,0,0,1,0|2,0,0]=4 510 B12R1.19 CC(=O)NC1=CC(C)=C(C)C=C1 50530 [0,1,0,0,1,0|2,0,0]=4 511 B12R1.19 CC(=O)NC1=CC(Cl)=C(Br)C=C1 AT10248 [0,1,0,0,1,0|2,0,0]=4 512 B12R1.19 CC(=O)NC1=CC(Cl)=C(C)C=C1 AB6861 [0,1,0,0,1,0|2,0,0]=4 513 B12R1.19 CC(=O)NC1=CC(Cl)=C(Cl)C=C1 AB6994 [0,1,0,0,1,0|2,0,0]=4 514 B12R1.19 CC(=O)NC1=CC(Cl)=C(F)C=C1 F21244 [0,1,0,0,1,0|2,0,0]=4 515 B12R1.19 CC(=O)NC1=CC(Cl)=C(O)C=C1 25132 [0,1,0,0,1,0|1,0,0]=3 516 B12R1.19 CC(=O)NC1=CC(N)=C(Cl)C=C1 D88451 [0,1,0,0,1,0|2,0,0]=4 517 B12R1.19 CC(=O)NC1=CC(O)=C(O)C=C1 S10202 [0,1,0,0,1,0|1,0,0]=3 518 B12R1.19 CC(=O)OC1=CC(N)=C(F)C=C1 34416 [0,1,0,0,1,0|2,0,0]=4 519 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 CL8787 [0,1,0,0,1,0|2,0,0]=4 520 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 67768 [0,1,0,0,1,0|2,0,0]=4 521 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 CL9109 [0,1,0,0,1,0|2,0,0]=4 522 B12R1.19 CC1=C(F)C=CC(CC(=O)O)=C1 CL9442 [0,1,0,0,1,0|2,0,0]=4 523 B12R1.19 CC1=C(N)C=CC(CC(=O)O)=C1 Y10010 [0,1,0,0,1,0|2,0,0]=4 524 B12R1.19 CC1=C(O)C=CC(CC(=O)O)=C1 CL9284 [0,1,0,0,1,0|1,0,0]=3 525 B12R1.19 O=C(O)CC1=CC(Br)=C(Cl)C=C1 SC5040 [0,1,0,0,1,0|2,0,0]=4 526 B12R1.19 O=C(O)CC1=CC(Br)=C(F)C=C1 67770 [0,1,0,0,1,0|2,0,0]=4 527 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 CK2069 [0,1,0,0,1,0|1,0,0]=3 528 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 75669 [0,1,0,0,1,0|2,0,0]=4 529 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 67623 [0,1,0,0,1,0|2,0,0]=4 530 B12R1.19 O=C(O)CC1=CC(Cl)=C(O)C=C1 C13676 [0,1,0,0,1,0|1,0,0]=3 531 B12R1.19 O=C(O)CC1=CC(F)=C(Br)C=C1 22748 [0,1,0,0,1,0|2,0,0]=4 532 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 35504 [0,1,0,0,1,0|2,0,0]=4 533 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 22054 [0,1,0,0,1,0|2,0,0]=4 534 B12R1.19 O=C(O)CC1=CC(F)=C(I)C=C1 CL8777 [0,1,0,0,1,0|2,0,0]=4 535 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 CL8962 [0,1,0,0,1,0|1,0,0]=3 536 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 33468 [0,1,0,0,1,0|1,0,0]=3 537 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 AB3043 [0,1,0,0,1,0|2,0,0]=4 538 B12R1.20 CC(=O)N(C)C1=CC=C(O)C=C1 Y11633 [0,1,0,0,1,0|1,0,0]=3 539 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 F19228 [0,1,0,0,1,0|2,0,0]=4 540 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 69416 [0,1,0,0,1,0|2,0,0]=4 541 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 11021 [0,1,0,0,1,0|2,0,0]=4 542 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(F)C=C1 24605 [0,1,0,0,1,0|2,0,0]=4 543 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 F17592 [0,1,0,0,1,0|1,0,0]=3 544 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 23737 [0,1,0,0,1,0|2,0,0]=4 545 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N10975 [0,1,0,0,1,0|2,0,0]=4 546 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 28178 [0,1,0,0,1,0|2,0,0]=4 547 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 28179 [0,1,0,0,1,0|2,0,0]=4 548 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 28180 [0,1,0,0,1,0|2,0,0]=4 549 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 57525 [0,1,0,0,1,0|2,0,0]=4 550 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 57523 [0,1,0,0,1,0|2,0,0]=4 551 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 58552 [0,1,0,0,1,0|2,0,0]=4 552 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 58553 [0,1,0,0,1,0|2,0,0]=4 553 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 58554 [0,1,0,0,1,0|2,0,0]=4 554 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 62399 [0,1,0,0,1,0|1,0,0]=3 555 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 D71081 [0,1,0,0,1,0|1,0,0]=3 556 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 F11089 [0,1,0,0,1,0|1,0,0]=3 557 B12R1.20 O=C(O)[C@H](Br)C1=CC=C(Cl)C=C1 75437 [0,1,0,0,1,0|2,0,0]=4 558 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Br)C=C1 C10958 [0,1,0,0,1,0|2,0,0]=4 559 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 75254 [0,1,0,0,1,0|2,0,0]=4 560 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 A11529 [0,1,0,0,1,0|2,0,0]=4 561 B12R1.20 O=C(O)[C@H](O)C1=CC=C(F)C=C1 H10731 [0,1,0,0,1,0|2,0,0]=4 562 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 28708 [0,1,0,0,1,0|1,0,0]=3 563 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 D95528 [0,1,0,0,1,0|1,0,0]=3 564 B12R1.233 CC(=O)CC1=C(Cl)C=C(Cl)C=C1 D90132 [0,1,0,0,1,0|1,0,0]=3 565 B12R1.233 CC(=O)NC1=C(Br)C=C(C)C=C1 54572 [0,1,0,0,1,0|2,0,0]=4 566 B12R1.233 CC(=O)NC1=C(Br)C=C(F)C=C1 D88957 [0,1,0,0,1,0|2,0,0]=4 567 B12R1.233 CC(=O)NC1=C(C)C=C(Br)C=C1 A51056 [0,1,0,0,1,0|2,0,0]=4 568 B12R1.233 CC(=O)NC1=C(C)C=C(C)C=C1 W11349 [0,1,0,0,1,0|2,0,0]=4 569 B12R1.233 CC(=O)NC1=C(C)C=C(Cl)C=C1 W10837 [0,1,0,0,1,0|2,0,0]=4 570 B12R1.233 CC(=O)NC1=C(C)C=C(F)C=C1 F21460 [0,1,0,0,1,0|2,0,0]=4 571 B12R1.233 CC(=O)NC1=C(C)C=C(N)C=C1 78470 [0,1,0,0,1,0|2,0,0]=4 572 B12R1.233 CC(=O)NC1=C(Cl)C=C(Br)C=C1 S10886 [0,1,0,0,1,0|2,0,0]=4 573 B12R1.233 CC(=O)NC1=C(Cl)C=C(Cl)C=C1 D84493 [0,1,0,0,1,0|2,0,0]=4 574 B12R1.233 CC(=O)NC1=C(Cl)C=C(F)C=C1 36575 [0,1,0,0,1,0|2,0,0]=4 575 B12R1.233 CC(=O)NC1=C(F)C=C(Br)C=C1 C10923 [0,1,0,0,1,0|2,0,0]=4 576 B12R1.233 CC(=O)NC1=C(F)C=C(C)C=C1 D83825 [0,1,0,0,1,0|2,0,0]=4 577 B12R1.233 CC(=O)NC1=C(F)C=C(Cl)C=C1 36892 [0,1,0,0,1,0|2,0,0]=4 578 B12R1.233 CC(=O)NC1=C(F)C=C(F)C=C1 36609 [0,1,0,0,1,0|2,0,0]=4 579 B12R1.233 CC(=O)NC1=C(N)C=C(Br)C=C1 F21313 [0,1,0,0,1,0|2,0,0]=4 580 B12R1.233 CC1=C(CC(=O)O)C=CC(Br)=C1 CL9343 [0,1,0,0,1,0|2,0,0]=4 581 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 CK2067 [0,1,0,0,1,0|2,0,0]=4 582 B12R1.233 CC1=CC(C)=C(CC(=O)O)C=C1 67678 [0,1,0,0,1,0|2,0,0]=4 583 B12R1.233 CC1=CC(F)=C(CC(=O)O)C=C1 CL9433 [0,1,0,0,1,0|2,0,0]=4 584 B12R1.233 NC(=O)CC1=C(Cl)C=C(Cl)C=C1 D84567 [0,1,0,0,1,0|2,0,0]=4 585 B12R1.233 NC1=C(CC(=O)O)C=CC(Cl)=C1 A10628 [0,1,0,0,1,0|2,0,0]=4 586 B12R1.233 O=C(O)CC1=C(Br)C=C(Br)C=C1 22757 [0,1,0,0,1,0|2,0,0]=4 587 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 CL8754 [0,1,0,0,1,0|2,0,0]=4 588 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 67762 [0,1,0,0,1,0|2,0,0]=4 589 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 CL8783 [0,1,0,0,1,0|2,0,0]=4 590 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 F11217 [0,1,0,0,1,0|2,0,0]=4 591 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 CL8960 [0,1,0,0,1,0|2,0,0]=4 592 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 CL8784 [0,1,0,0,1,0|2,0,0]=4 593 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 CK1034 [0,1,0,0,1,0|2,0,0]=4 594 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 67758 [0,1,0,0,1,0|2,0,0]=4 595 B12R1.233 O=C(O)CC1=C(O)C=C(F)C=C1 95684 [0,1,0,0,1,0|2,0,0]=4 596 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 N12226 [0,1,0,0,0,1|2,0,0]=4 597 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 28341 [0,1,0,0,0,1|1,0,0]=3 598 B14R1.4 COC1=CC=C(COCC(=O)O)C=C1 F21242 [0,1,0,0,0,1|1,0,0]=3 599 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 84087 [0,1,0,0,0,1|1,0,0]=3 600 B14R1.4 O=C(O)CCOC1=CC=C(CO)C=C1 AT13194 [0,1,0,0,0,1|1,0,0]=3 601 B14R1.131 CS(=O)(=O)NCCC1=CC=C(O)C=C1 W12449 [0,1,0,0,0,1|1,0,0]=3 602 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Br)C=C1 C76399 [0,1,0,0,0,1|1,0,1]=4 603 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 S10915 [0,1,0,0,0,1|2,0,0]=4 604 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 55649 [0,1,0,0,0,1|2,0,0]=4 605 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 D89379 [0,1,0,0,0,1|2,0,0]=4 606 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 AB3821 [0,1,0,0,0,1|2,0,0]=4 607 B14R1.687 O=C(O)CNCC1=CC(Cl)=C(Cl)C=C1 C74357 [0,1,0,0,0,1|2,0,0]=4 608 B14R1.698 CC(=O)CC(=O)NC1=CC=C(Br)C=C1 D85780 [0,1,0,0,0,1|1,0,1]=4 609 B14R1.698 CC(=O)CC(=O)NC1=CC=C(Cl)C=C1 D71241 [0,1,0,0,0,1|1,0,1]=4 610 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Br)C=C1 77808 [0,1,0,0,0,1|2,0,0]=4 611 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 77809 [0,1,0,0,0,1|2,0,0]=4 612 B14R1.4464 CC1=CC(C)=C(NCCC(=O)O)C=C1 W18279 [0,1,0,0,0,1|2,0,0]=4 613 B14R1.4464 O=C(O)CCOC1=C(F)C=C(F)C=C1 D83307 [0,1,0,0,0,1|2,0,0]=4 614 B14R1.2 CCC1=CC=C([C@@H](N)CC(=O)O)C=C1 N12368 [0,2,0,0,0,0|2,0,0]=4 615 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 63894 [0,2,0,0,0,0|1,0,0]=3 616 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 63895 [0,2,0,0,0,0|1,0,0]=3 617 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 63896 [0,2,0,0,0,0|1,0,0]=3 618 B14R1.2 N#CC1=CC=C([C@@H](N)CC(=O)O)C=C1 77805 [0,2,0,0,0,0|2,0,0]=4 619 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 23103 [0,2,0,0,0,0|1,0,0]=3 620 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 64206 [0,2,0,0,0,0|1,0,0]=3 621 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 I10726 [0,2,0,0,0,0|1,0,0]=3 622 B14R1.3 COC1=CC=C(O[C@@H](C)C(=O)O)C=C1 AR3818 [0,2,0,0,0,0|2,0,0]=4 623 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 34336 [0,2,0,0,0,0|2,0,0]=4 624 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50120 [0,2,0,0,0,0|2,0,0]=4 625 B14R1.5 COC(=O)CCC1=CC=C(OC)C=C1 F52669 [0,2,0,0,0,0|0,0,0]=2 626 B14R1.5 COC(=O)COC1=CC=C(C#N)C=C1 31003 [0,2,0,0,0,0|2,0,0]=4 627 B14R1.5 COC(=O)COC1=CC=C(C=O)C=C1 84731 [0,2,0,0,0,0|1,0,1]=4 628 B14R1.5 COC(=O)\C=C\C1=CC=C(OC)C=C1 W11634 [0,2,0,0,0,0|0,0,2]=4 629 B14R1.103 COC1=CC(F)=C(CCC(=O)O)C=C1 72403 [0,2,0,0,0,0|1,0,0]=3 630 B14R1.142 CCOC1=CC=C(CCC(=O)O)C=C1 F52927 [0,2,0,0,0,0|1,0,0]=3 631 B14R1.419 CC(=O)C1=CC=C(CCC(=O)O)C=C1 D80232 [0,2,0,0,0,0|1,0,1]=4 632 B14R1.419 CC(=O)NCC1=CC=C(B(O)O)C=C1 D81779 [0,2,0,0,0,0|1,0,0]=3 633 B14R1.419 CC(=O)OCC1=CC=C([N+](=O)[O-])C=C1 28068 [0,2,0,0,0,0|1,0,1]=4 634 B14R1.419 O=C(O)CCC1=CC=C(C(=O)O)C=C1 20067 [0,2,0,0,0,0|1,0,0]=3 635 B14R1.419 O=C(O)CCC1=CC=C([N+](=O)[O-])C=C1 28334 [0,2,0,0,0,0|1,0,1]=4 636 B14R1.419 O=C(O)COC1=CC=C(C(=O)O)C=C1 D84239 [0,2,0,0,0,0|2,0,0]=4 637 B14R1.3653 COC1=C(Br)C=C(CCC(=O)O)C=C1 F52907 [0,2,0,0,0,0|1,0,0]=3 638 B14R1.3653 COC1=C(Cl)C=C(CCC(=O)O)C=C1 F52903 [0,2,0,0,0,0|1,0,0]=3 639 B14R1.10 COC(=O)CC(=O)C1=CC=C(C)C=C1 AB7594 [0,2,0,0,0,0|1,0,1]=4 640 B14R1.10 COC(=O)CC(=O)C1=CC=C(Cl)C=C1 AB7497 [0,2,0,0,0,0|1,0,1]=4 641 B14R1.10 COC(=O)CC(=O)C1=CC=C(F)C=C1 AB7530 [0,2,0,0,0,0|1,0,1]=4 642 B14R1.10 COC(=O)CC(=O)C1=CC=C(O)C=C1 Y11686 [0,2,0,0,0,0|0,0,1]=3 643 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 N12080 [0,2,0,0,0,0|1,0,0]=3 644 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Cl)C=C1 71015 [0,2,0,0,0,0|1,0,0]=3 645 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Cl)C=C1 N11050 [0,2,0,0,0,0|1,0,0]=3 646 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 F16875 [0,2,0,0,0,0|1,0,0]=3 647 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 N11453 [0,2,0,0,0,0|1,0,0]=3 648 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 Y12262 [0,2,0,0,0,0|1,0,0]=3 649 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 11241 [0,2,0,0,0,0|0,0,0]=2 650 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 28800 [0,2,0,0,0,0|0,0,0]=2 651 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 F14566 [0,2,0,0,0,0|0,0,0]=2 652 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 H10756 [0,2,0,0,0,0|0,0,0]=2 653 B14R1.134 COC(=O)[C@H](C)OC1=CC=C(O)C=C1 D90983 [0,2,0,0,0,0|1,0,0]=3 654 B14R1.134 NNC(=O)[C@@H](N)CC1=CC=C(O)C=C1 D92529 [0,2,0,0,0,0|1,0,0]=3 655 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 AB3728 [0,2,0,0,0,0|1,0,0]=3 656 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 AB7212 [0,2,0,0,0,0|1,0,0]=3 657 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 30223 [0,2,0,0,0,0|0,0,0]=2 658 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 71210 [0,2,0,0,0,0|2,0,0]=4 659 B14R1.502 CCOC(=O)COC1=CC=C(C)C=C1 D78583 [0,2,0,0,0,0|2,0,0]=4 660 B14R1.502 CCOC(=O)CSC1=CC=C(Cl)C=C1 D85786 [0,2,0,0,0,0|2,0,0]=4 661 B14R1.502 CCOC(=O)\C=C\C1=CC=C(O)C=C1 Y10121 [0,2,0,0,0,0|0,0,2]=4 662 B14R1.727 COC(=O)COC1=C(C)C=C(O)C=C1 73854 [0,2,0,0,0,0|1,0,0]=3 663 B14R1.833 COC(=O)\C=C\C1=CC(O)=C(O)C=C1 AC9787 [0,2,0,0,0,0|0,0,2]=4 664 B14R1.685 CC1=C(C)C=C([C@@H](N)CC(=O)O)C=C1 N12521 [0,2,0,0,0,0|2,0,0]=4 665 B14R1.685 N[C@@H](CC(=O)O)C1=CC(Cl)=C(Cl)C=C1 60238 [0,2,0,0,0,0|2,0,0]=4 666 B14R1.694 CC(=O)CS(=O)(=O)C1=CC=C(C)C=C1 F17154 [0,2,0,0,0,0|2,0,0]=4 667 B14R1.694 CC1=CC=C(C(C)(C)CC(=O)O)C=C1 D93428 [0,2,0,0,0,0|2,0,0]=4 668 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(Cl)C=C1 31111 [0,2,0,0,0,0|2,0,0]=4 669 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(Cl)C=C1 CX1358 [0,2,0,0,0,0|2,0,0]=4 670 B14R1.6048 N[C@@H](CC(=O)O)C1=C(Cl)C=C(Cl)C=C1 N12320 [0,2,0,0,0,0|2,0,0]=4 671 B14R1.6048 N[C@@H](CC(=O)O)C1=C(Cl)C=C(Cl)C=C1 N12321 [0,2,0,0,0,0|2,0,0]=4 672 B14R1.536 N#C[C@@H](CC1=CC=C(O)C=C1)C(=O)O AC1587 [0,2,0,0,0,0|1,0,0]=3 673 B14R1.536 NC[C@H](CC1=CC=C(Br)C=C1)C(=O)O 51860 [0,2,0,0,0,0|2,0,0]=4 674 B14R1.686 NC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 A12311 [0,2,0,0,0,0|1,0,0]=3 675 B14R1.686 NC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 D82250 [0,2,0,0,0,0|1,0,0]=3 676 B14R1.686 N[C@@H](CC1=CC(Br)=C(O)C=C1)C(=O)O A10515 [0,2,0,0,0,0|1,0,0]=3 677 B14R1.686 N[C@@H](CC1=CC(Br)=C(O)C=C1)C(=O)O A11383 [0,2,0,0,0,0|1,0,0]=3 678 B14R1.686 N[C@@H](CC1=CC(Cl)=C(Cl)C=C1)C(=O)O F12292 [0,2,0,0,0,0|2,0,0]=4 679 B14R1.686 N[C@@H](CC1=CC(Cl)=C(Cl)C=C1)C(=O)O F12351 [0,2,0,0,0,0|2,0,0]=4 680 B14R1.686 N[C@@H](CC1=CC(Cl)=C(O)C=C1)C(=O)O C10390 [0,2,0,0,0,0|1,0,0]=3 681 B14R1.686 N[C@@H](CC1=CC(F)=C(F)C=C1)C(=O)O 78255 [0,2,0,0,0,0|2,0,0]=4 682 B14R1.686 N[C@@H](CC1=CC(F)=C(F)C=C1)C(=O)O A50334 [0,2,0,0,0,0|2,0,0]=4 683 B14R1.686 N[C@@H](CC1=CC(I)=C(O)C=C1)C(=O)O 36725 [0,2,0,0,0,0|1,0,0]=3 684 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O D70595 [0,2,0,0,0,0|1,0,0]=3 685 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O H11952 [0,2,0,0,0,0|1,0,0]=3 686 B14R1.6049 CC1=C(C[C@H](N)C(=O)O)C=CC(Br)=C1 D94023 [0,2,0,0,0,0|2,0,0]=4 687 B14R1.6049 N[C@@H](CC1=C(Cl)C=C(Cl)C=C1)C(=O)O 60593 [0,2,0,0,0,0|2,0,0]=4 688 B14R1.6049 N[C@@H](CC1=C(Cl)C=C(Cl)C=C1)C(=O)O 60594 [0,2,0,0,0,0|2,0,0]=4 689 B14R1.6049 N[C@@H](CC1=C(Cl)C=C(Cl)C=C1)C(=O)O F52527 [0,2,0,0,0,0|2,0,0]=4 690 B14R1.6049 N[C@@H](CC1=C(F)C=C(Br)C=C1)C(=O)O A50344 [0,2,0,0,0,0|2,0,0]=4 691 B14R1.7626 C[C@](N)(CC1=CC=C(O)C=C1)C(=O)O 62400 [0,2,0,0,0,0|1,0,0]=3 692 B14R1.7626 C[C@](N)(CC1=CC=C(O)C=C1)C(=O)O F12275 [0,2,0,0,0,0|1,0,0]=3 693 B14R1.42 COC1=C(O)C=CC(CCC(=O)O)=C1 A50645 [0,2,0,0,0,0|1,0,0]=3 694 B14R1.42 COC1=C(O)C=CC(CCC(C)=O)=C1 78548 [0,2,0,0,0,0|0,0,0]=2 695 B14R1.42 COC1=C(O)C=CC(CC[N+](=O)[O-])=C1 50830 [0,2,0,0,0,0|2,0,0]=4 696 B14R1.42 COC1=C(O)C=CC(\C=C\C(C)=O)=C1 AC8555 [0,2,0,0,0,0|0,0,2]=4 697 B14R1.15552 CC1=CC(CCC(=O)O)=CC(C)=C1O AC1677 [0,2,0,0,0,0|1,0,0]=3 698 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 N10556 [1,0,0,1,0,0|1,0,1]=4 699 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 51827 [1,0,0,1,0,0|2,0,0]=4 700 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 SC2011 [1,0,0,1,0,0|2,0,0]=4 701 B12R2.24 CC1=CC2=C(C=C1)CCNC2 26311 [1,0,0,1,0,0|2,0,0]=4 702 B12R2.24 CC1=CC2=C(C=C1)CCNC2 71799 [1,0,0,1,0,0|2,0,0]=4 703 B12R2.24 FC1=CC2=C(C=C1)CCNC2 90641 [1,0,0,1,0,0|2,0,0]=4 704 B12R2.24 NC1=CC2=C(C=C1)CCNC2 28043 [1,0,0,1,0,0|2,0,0]=4 705 B12R2.24 OC1=CC2=C(C=C1)CCCC2 O11319 [1,0,0,1,0,0|0,0,1]=3 706 B12R2.24 OC1=CC2=C(C=C1)CCCN2 62510 [1,0,0,1,0,0|1,0,1]=4 707 B12R2.24 OC1=CC2=C(C=C1)CNCC2 62444 [1,0,0,1,0,0|1,0,1]=4 708 B12R2.24 OC1=CC2=C(C=C1)CNCC2 62445 [1,0,0,1,0,0|1,0,1]=4 709 B12R2.24 OC1=CC2=C(C=C1)NCCC2 25056 [1,0,0,1,0,0|1,0,1]=4 710 B12R2.24 OC1=CN=C2CCCCC2=C1 F51876 [1,0,0,1,0,0|1,0,1]=4 711 B12R2.132 CC1=CC2=C(C=C1)CCC2=O 82947 [1,0,0,1,0,0|1,0,0]=3 712 B12R2.132 CC1=CNC2=C1C=C(O)C=C2 O11032 [1,0,0,1,0,0|1,0,1]=4 713 B12R2.132 NC1=CC2=C(C=C1)CCC2=O 82950 [1,0,0,1,0,0|1,0,0]=3 714 B12R2.132 NC1=CC2=C(C=C1)CNC2=O 87918 [1,0,0,1,0,0|2,0,0]=4 715 B12R2.132 NC1=CC2=C(C=C1)COC2=O 82287 [1,0,0,1,0,0|2,0,0]=4 716 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 54608 [1,0,0,1,0,0|1,0,0]=3 717 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 34238 [1,0,0,1,0,0|1,0,0]=3 718 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 61632 [1,0,0,1,0,0|1,0,0]=3 719 B12R2.132 O=C1CCC2=C1C=C(I)C=C2 27647 [1,0,0,1,0,0|1,0,0]=3 720 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 O11597 [1,0,0,1,0,0|0,0,0]=2 721 B12R2.132 O=C1NCC2=C1C=C(Br)C=C2 82322 [1,0,0,1,0,0|2,0,0]=4 722 B12R2.132 O=C1NCC2=C1C=C(Cl)C=C2 87204 [1,0,0,1,0,0|2,0,0]=4 723 B12R2.132 O=C1OCC2=C1C=C(Br)C=C2 24767 [1,0,0,1,0,0|2,0,0]=4 724 B12R2.22 NC1CC(C2=CC=CC=C2)C1 75898 [1,0,0,1,0,0|1,0,1]=4 725 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 75897 [1,0,0,1,0,0|0,0,0]=2 726 B12R2.3190 O=C(O)[C@@H]1CC2=C1C=CC=C2 67881 [1,0,0,1,0,0|1,0,0]=3 727 B12R2.606 CC1=CC2=C(C=C(O)C=C2)N1 62420 [0,0,0,1,1,0|1,0,1]=4 728 B12R2.606 CC1=CC2=C(C=C1)CC(=O)N2 35613 [0,0,0,1,1,0|2,0,0]=4 729 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 83183 [0,0,0,1,1,0|2,0,0]=4 730 B12R2.606 CC1=CC2=C(C=CC(O)=C2)N1 33558 [0,0,0,1,1,0|2,0,0]=4 731 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 W17196 [0,0,0,1,1,0|1,0,1]=4 732 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 25815 [0,0,0,1,1,0|2,0,0]=4 733 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 37209 [0,0,0,1,1,0|2,0,0]=4 734 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 87806 [0,0,0,1,1,0|2,0,0]=4 735 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 68032 [0,0,0,1,1,0|2,0,0]=4 736 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 53585 [0,0,0,1,1,0|1,0,0]=3 737 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 23032 [0,0,0,1,1,0|2,0,0]=4 738 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 33629 [0,0,0,1,1,0|2,0,0]=4 739 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 21706 [0,0,0,1,1,0|2,0,0]=4 740 B12R2.606 O=C1CC2=C(C=CC(Cl)=C2)N1 58042 [0,0,0,1,1,0|2,0,0]=4 741 B12R2.606 O=C1CC2=C(C=CC(F)=C2)N1 61060 [0,0,0,1,1,0|2,0,0]=4 742 B12R2.606 O=C1CC2=C(C=CC(I)=C2)N1 12836 [0,0,0,1,1,0|2,0,0]=4 743 B12R2.606 O=C1CC2=C(C=CC(O)=C2)N1 50045 [0,0,0,1,1,0|1,0,0]=3 744 B12R2.606 O=C1CC2=C(C=CC(O)=C2)O1 TD8103 [0,0,0,1,1,0|1,0,0]=3 745 B14R2.380 NC1=CC2=C(C=C1)CCCC(=O)N2 51452 [0,0,0,1,0,1|2,0,0]=4 746 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 82981 [0,0,0,1,0,1|2,0,0]=4 747 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 20313 [0,0,0,1,0,1|2,0,0]=4 748 B14R2.5816 CC(=O)N1CCC2=C1C=C(N)C=C2 50344 [0,0,0,1,0,1|1,0,0]=3 749 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)C2 27006 [0,1,0,1,0,0|0,0,0]=2 750 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)N2 25936 [0,1,0,1,0,0|1,0,0]=3 751 B10R1.16 CC1=CC=C(CCC=O)O1 D82231 [1,0,0,0,1,0|2,0,0]=4 752 B10R1.18 CC(=O)CC1=CC=NC=C1 32302 [1,0,0,0,1,0|1,0,0]=3 753 B10R1.18 CC(=O)CC1=CC=NC=C1 65526 [1,0,0,0,1,0|1,0,0]=3 754 B10R1.18 CC(=O)CC1=NC=CC=C1 65544 [1,0,0,0,1,0|1,0,0]=3 755 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 D88335 [1,0,0,0,1,0|1,0,0]=3 756 B10R1.18 CC(=O)NC1=CC=NC=C1 D88476 [1,0,0,0,1,0|2,0,0]=4 757 B10R1.18 CC(=O)NC1=CN=CC=C1 D76087 [1,0,0,0,1,0|2,0,0]=4 758 B10R1.18 CC(=O)NC1=NC=CC=C1 H10380 [1,0,0,0,1,0|2,0,0]=4 759 B10R1.18 CC(=O)OC1=CC=CC=C1 D88203 [1,0,0,0,1,0|1,0,0]=3 760 B10R1.18 CC(=O)OC1=CN=CC=C1 D88394 [1,0,0,0,1,0|2,0,0]=4 761 B10R1.18 CC(=O)SC1=CC=CC=C1 H12050 [1,0,0,0,1,0|1,0,0]=3 762 B10R1.18 CC(=S)NC1=CC=CC=C1 81311 [1,0,0,0,1,0|1,1,0]=4 763 B10R1.18 CC(C)=CC1=CC=CC=C1 W16227 [1,0,0,0,1,0|1,0,1]=4 764 B10R1.18 C[C@H](O)CC1=CC=CC=C1 D71014 [1,0,0,0,1,0|0,0,2]=4 765 B10R1.18 C[Si](C)CC1=CC=CC=C1 D89172 [1,0,0,0,1,0|1,1,0]=4 766 B10R1.18 NC(=O)CC1=CC=CC=C1 20020 [1,0,0,0,1,0|1,0,0]=3 767 B10R1.18 NC(=O)CC1=CN=CC=C1 F30204 [1,0,0,0,1,0|2,0,0]=4 768 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 D87783 [1,0,0,0,1,0|2,0,0]=4 769 B10R1.18 NC(=O)NC1=CC=CC=C1 C11241 [1,0,0,0,1,0|2,0,0]=4 770 B10R1.18 NC(=O)OC1=CC=CC=C1 81483 [1,0,0,0,1,0|2,0,0]=4 771 B10R1.18 O=C(Cl)CC1=CC=CC=C1 S11991 [1,0,0,0,1,0|1,0,0]=3 772 B10R1.18 O=C(O)CC1=CC=CC=C1 A12791 [1,0,0,0,1,0|1,0,0]=3 773 B10R1.18 O=C(O)CC1=CC=NC=C1 65460 [1,0,0,0,1,0|2,0,0]=4 774 B10R1.18 O=C(O)CC1=CC=NC=C1 65461 [1,0,0,0,1,0|2,0,0]=4 775 B10R1.18 O=C(O)CC1=CN=CC=C1 23119 [1,0,0,0,1,0|2,0,0]=4 776 B10R1.18 O=C(O)CC1=CN=CC=C1 28500 [1,0,0,0,1,0|2,0,0]=4 777 B10R1.18 O=C(O)CC1=NC=CC=C1 31161 [1,0,0,0,1,0|2,0,0]=4 778 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 D85775 [1,0,0,0,1,0|2,0,0]=4 779 B10R1.66 CC(=O)OCC1=CC=CO1 F14839 [1,0,0,0,1,0|2,0,0]=4 780 B10R1.66 O=C(O)CCC1=CC=CO1 68597 [1,0,0,0,1,0|2,0,0]=4 781 B10R1.66 O=C(O)CCC1=CSC=C1 W13262 [1,0,0,0,1,0|2,0,0]=4 782 B10R1.66 O=C(O)CCN1C=CC=C1 30775 [1,0,0,0,1,0|2,0,0]=4 783 B10R1.13 C=C(C)C1=CC=C(C)C=C1 F17145 [0,0,0,0,2,0|2,0,0]=4 784 B10R1.13 C=C(C)C1=CC=C(Cl)C=C1 D89216 [0,0,0,0,2,0|2,0,0]=4 785 B10R1.13 C=C(C)C1=CC=C(F)C=C1 CK2305 [0,0,0,0,2,0|2,0,0]=4 786 B10R1.13 C=C(C)C1=CC=C(O)C=C1 A11171 [0,0,0,0,2,0|1,0,0]=3 787 B10R1.13 CC(=O)C1=CC=C(C)C=C1 D70502 [0,0,0,0,2,0|1,0,0]=3 788 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 N10056 [0,0,0,0,2,0|1,0,0]=3 789 B10R1.13 CC(=O)C1=CC=C(F)C=C1 D70558 [0,0,0,0,2,0|1,0,0]=3 790 B10R1.13 CC(=O)C1=CC=C(I)C=C1 34152 [0,0,0,0,2,0|1,0,0]=3 791 B10R1.13 CC(=O)C1=CC=C(N)C=C1 D88235 [0,0,0,0,2,0|1,0,0]=3 792 B10R1.13 CC(=O)C1=CC=C(N)C=C1 F11286 [0,0,0,0,2,0|1,0,0]=3 793 B10R1.13 CC(=O)C1=CC=C(O)C=C1 44466 [0,0,0,0,2,0|0,0,0]=2 794 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 34646 [0,0,0,0,2,0|2,0,0]=4 795 B10R1.13 CC(=O)C1=CN=C(C)C=C1 24573 [0,0,0,0,2,0|2,0,0]=4 796 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 57255 [0,0,0,0,2,0|2,0,0]=4 797 B10R1.13 CC(=O)C1=CN=C(F)C=C1 26492 [0,0,0,0,2,0|2,0,0]=4 798 B10R1.13 CC(=O)C1=CN=C(N)C=C1 AB8078 [0,0,0,0,2,0|2,0,0]=4 799 B10R1.13 CC(=O)C1=CN=C(O)C=C1 36014 [0,0,0,0,2,0|1,0,0]=3 800 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 56961 [0,0,0,0,2,0|2,0,0]=4 801 B10R1.13 CC(=O)C1=NC=C(C)C=C1 AB1019 [0,0,0,0,2,0|2,0,0]=4 802 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 80291 [0,0,0,0,2,0|2,0,0]=4 803 B10R1.13 CC(=O)C1=NC=C(F)C=C1 D82396 [0,0,0,0,2,0|2,0,0]=4 804 B10R1.13 CC1=CC=C(C(=O)O)C=C1 D70680 [0,0,0,0,2,0|2,0,0]=4 805 B10R1.13 CC1=CC=C(C(N)=O)C=C1 35410 [0,0,0,0,2,0|2,0,0]=4 806 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 95016 [0,0,0,0,2,0|2,0,0]=4 807 B10R1.13 CN(C)C1=CC=C(O)C=C1 24476 [0,0,0,0,2,0|2,0,0]=4 808 B10R1.13 CN(C)C1=CC=C(O)C=C1 36466 [0,0,0,0,2,0|2,0,0]=4 809 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 74901 [0,0,0,0,2,0|1,0,1]=4 810 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 A12944 [0,0,0,0,2,0|2,0,0]=4 811 B10R1.13 C[S@](=O)C1=CC=C(F)C=C1 W16289 [0,0,0,0,2,0|2,0,0]=4 812 B10R1.13 N=C(N)C1=CC=C(O)C=C1 28469 [0,0,0,0,2,0|2,0,0]=4 813 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 F10314 [0,0,0,0,2,0|2,0,0]=4 814 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 78552 [0,0,0,0,2,0|2,0,0]=4 815 B10R1.13 NC(=O)C1=CC=C(F)C=C1 W18647 [0,0,0,0,2,0|2,0,0]=4 816 B10R1.13 NC(=O)C1=CC=C(I)C=C1 D94716 [0,0,0,0,2,0|2,0,0]=4 817 B10R1.13 NC(=O)C1=CC=C(N)C=C1 26019 [0,0,0,0,2,0|2,0,0]=4 818 B10R1.13 NC(=O)C1=CC=C(O)C=C1 D90813 [0,0,0,0,2,0|1,0,0]=3 819 B10R1.13 NC(=O)C1=NC=C(O)C=C1 P11310 [0,0,0,0,2,0|2,0,0]=4 820 B10R1.13 NC(=S)C1=CC=C(O)C=C1 33351 [0,0,0,0,2,0|1,1,0]=4 821 B10R1.13 NC1=CC=C(C(=O)O)C=C1 20052 [0,0,0,0,2,0|2,0,0]=4 822 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 O12079 [0,0,0,0,2,0|2,0,0]=4 823 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 CK1093 [0,0,0,0,2,0|2,0,0]=4 824 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 35169 [0,0,0,0,2,0|2,0,0]=4 825 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 AB10302 [0,0,0,0,2,0|2,0,0]=4 826 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 D77513 [0,0,0,0,2,0|2,0,0]=4 827 B10R1.13 O=C(O)C1=CC=C(F)C=C1 D70922 [0,0,0,0,2,0|2,0,0]=4 828 B10R1.13 O=C(O)C1=CC=C(I)C=C1 D70923 [0,0,0,0,2,0|2,0,0]=4 829 B10R1.13 O=C(O)C1=CC=C(O)C=C1 D86505 [0,0,0,0,2,0|1,0,0]=3 830 B10R1.13 O=C(O)C1=CC=C(S)C=C1 22131 [0,0,0,0,2,0|1,1,0]=4 831 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CX1100 [0,0,0,0,2,0|2,0,0]=4 832 B10R1.13 O=C(O)C1=NC=C(O)C=C1 32448 [0,0,0,0,2,0|2,0,0]=4 833 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CX1286 [0,0,0,0,2,0|2,0,0]=4 834 B10R1.13 O=C(O)C1=NC=C(O)C=C1 W10240 [0,0,0,0,2,0|2,0,0]=4 835 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 D83108 [0,0,0,0,2,0|2,0,0]=4 836 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 D71249 [0,0,0,0,2,0|1,0,0]=3 837 B12R1.252 CC(=O)COCC1=CC=CC=C1 11068 [1,0,0,0,0,1|0,0,0]=2 838 B12R1.252 CC(=O)NCCC1=CC=CC=C1 28552 [1,0,0,0,0,1|0,0,0]=2 839 B12R1.252 CC(C)CNCC1=CC=CC=C1 71268 [1,0,0,0,0,1|1,0,1]=4 840 B12R1.252 CN(C)CCOC1=CC=CC=C1 35711 [1,0,0,0,0,1|2,0,0]=4 841 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11414 [1,0,0,0,0,1|0,0,2]=4 842 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11416 [1,0,0,0,0,1|0,0,2]=4 843 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 C72530 [1,0,0,0,0,1|0,0,2]=4 844 B12R1.252 NC(=S)NCCC1=CC=CC=C1 D85871 [1,0,0,0,0,1|1,1,0]=4 845 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 FD7227 [1,0,0,0,0,1|1,0,0]=3 846 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CX1106 [1,0,0,0,0,1|1,0,0]=3 847 B12R1.252 O=C(O)CCNC1=CC=CC=C1 30827 [1,0,0,0,0,1|1,0,0]=3 848 B12R1.252 O=C(O)CCOC1=CC=CC=C1 11256 [1,0,0,0,0,1|1,0,0]=3 849 B12R1.252 O=C(O)CCSC1=CC=CC=C1 D94986 [1,0,0,0,0,1|1,0,0]=3 850 B12R1.252 O=C(O)CNCC1=CC=CC=C1 26468 [1,0,0,0,0,1|1,0,0]=3 851 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AB6138 [1,0,0,0,0,1|1,0,0]=3 852 B12R1.252 O=C(O)COCC1=CC=CC=C1 53674 [1,0,0,0,0,1|1,0,0]=3 853 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 F14822 [1,0,0,0,0,1|1,0,1]=4 854 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 F14969 [1,0,0,0,0,1|1,0,0]=3 855 B14R1.677 CC1=CC=C(CSCCC(=O)O)C=C1 I10972 [0,0,0,0,0,2|2,0,0]=4 856 B14R1.677 O=C(O)CCCCC1=CC=C(Br)C=C1 F20155 [0,0,0,0,0,2|2,0,0]=4 857 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 W10185 [0,0,0,0,0,2|2,0,0]=4 858 B14R1.677 O=C(O)CCCCC1=CC=C(O)C=C1 D82352 [0,0,0,0,0,2|1,0,0]=3 859 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 W16999 [0,0,0,0,0,2|2,0,0]=4