0 B12R1.21 CC(=O)NNC1=CC=C(Br)C=C1 B49191 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 H64577 [0,0,0,0,0,0|0,0,2]=2 2 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 T52428 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 T39588 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 A49317 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 A46681 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 C50769 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.21 O=C(O)C=CC1=CC=C(Br)C=C1 B39566 [0,0,0,0,0,0|2,0,2]=4 9 B12R1.21 O=C(O)C=CC1=CC=C(Cl)C=C1 C39568 [0,0,0,0,0,0|2,0,2]=4 10 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.21 O=[N+]([O-])C=CC1=CC=C(O)C=C1 N48495 [0,0,0,0,0,0|2,0,2]=4 14 B11R1.1 BrCCCC1=CC=C(Br)C=C1 B49699 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 T52412 [1,0,0,0,0,0|1,0,2]=4 16 B11R1.1 CCCCC1=CC=C(Br)C=C1 B68752 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.1 CCCCC1=CC=C(N)C=C1 B39618 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.1 CCCCC1=CC=C([Mg+])C=C1 B31783 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54075 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54252 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.1 CCNCC1=CC=C(Br)C=C1 E50225 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.1 CCNCC1=CC=C(C)C=C1 M53114 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.1 CCNCC1=CC=C(Cl)C=C1 E50238 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.1 COCCC1=CC=C(O)C=C1 H67272 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.1 ClC1=CC=C(CCCBr)C=C1 B49700 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.1 FC1=CC=C(CCCI)C=C1 F49704 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.1 N#CCCC1=CC=C(Br)C=C1 B51452 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.1 NCCCC1=CC=C(Cl)C=C1 C50240 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.1 NCCCC1=CC=C(F)C=C1 F52144 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.1 O=CC=CC1=CC=C(F)C=C1 F51323 [1,0,0,0,0,0|1,0,2]=4 31 B11R1.1 O=CCCC1=CC=C(Br)C=C1 B52022 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.1 O=CCCC1=CC=C(O)C=C1 H60513 [1,0,0,0,0,0|0,0,0]=1 33 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 B51314 [1,0,0,0,0,0|1,0,2]=4 34 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 C51321 [1,0,0,0,0,0|1,0,2]=4 35 B11R1.1 OCCCC1=CC=C(Br)C=C1 B37932 [1,0,0,0,0,0|1,0,2]=4 36 B11R1.1 OCCCC1=CC=C(Cl)C=C1 C50159 [1,0,0,0,0,0|1,0,2]=4 37 B11R1.1 OCCCC1=CC=C(O)C=C1 H37679 [1,0,0,0,0,0|0,0,2]=3 38 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [1,0,0,0,0,0|0,0,2]=3 40 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [1,0,0,0,0,0|1,0,2]=4 43 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [1,0,0,0,0,0|1,0,0]=2 44 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [1,0,0,0,0,0|1,0,2]=4 45 B11R1.91 O=C(O)CCC1=CN=NC=C1 P60455 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.91 O=C(O)COC1=CC=NC=C1 P45840 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.91 O=C(O)COC1=CN=CC=C1 P45834 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.91 O=C(O)CSC1=CC=NC=C1 P68840 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [1,0,0,0,0,0|1,0,2]=4 53 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [1,0,0,0,0,0|2,0,1]=4 55 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 M52829 [0,1,0,0,0,0|1,0,0]=2 56 B13R1.3 COC1=CC=C(CNC(N)=O)C=C1 M38061 [0,1,0,0,0,0|2,0,0]=3 57 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 M49941 [0,1,0,0,0,0|2,0,0]=3 58 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 C53932 [0,1,0,0,0,0|2,0,0]=3 59 B13R1.3 N#CC1=CC=C(NCC(=O)O)C=C1 C51387 [0,1,0,0,0,0|3,0,0]=4 60 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 C51199 [0,1,0,0,0,0|3,0,0]=4 61 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 F51639 [0,1,0,0,0,0|2,0,1]=4 62 B13R1.14 COC(=O)C=CC1=CC=C(Br)C=C1 M53987 [0,1,0,0,0,0|1,0,2]=4 63 B13R1.14 COC(=O)C=CC1=CC=C(C)C=C1 M54553 [0,1,0,0,0,0|1,0,2]=4 64 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 M52626 [0,1,0,0,0,0|1,0,0]=2 65 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 M52652 [0,1,0,0,0,0|1,0,0]=2 66 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 M38944 [0,1,0,0,0,0|1,0,0]=2 67 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 M54163 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 M68976 [0,1,0,0,0,0|0,0,0]=1 69 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 M51987 [0,1,0,0,0,0|2,0,0]=3 70 B13R1.14 NNC(=O)CSC1=CC=C(Cl)C=C1 C64669 [0,1,0,0,0,0|3,0,0]=4 71 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 F62044 [0,1,0,0,0,0|1,0,1]=3 72 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 A49796 [0,1,0,0,0,0|2,0,0]=3 73 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 A49804 [0,1,0,0,0,0|2,0,0]=3 74 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 A49819 [0,1,0,0,0,0|2,0,0]=3 75 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 A61063 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 A49836 [0,1,0,0,0,0|2,0,0]=3 77 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 A50100 [0,1,0,0,0,0|1,0,0]=2 78 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A69608 [0,1,0,0,0,0|2,0,0]=3 79 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A69604 [0,1,0,0,0,0|2,0,0]=3 80 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(=O)O H69720 [0,1,0,0,0,0|2,0,0]=3 81 B13R1.133 NC1=CC=C(CC(=O)C(=O)O)C=C1 A52242 [0,1,0,0,0,0|2,0,1]=4 82 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A50187 [0,1,0,0,0,0|2,0,0]=3 83 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 A68975 [0,1,0,0,0,0|2,0,0]=3 84 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O A68143 [0,1,0,0,0,0|2,0,0]=3 85 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O A68518 [0,1,0,0,0,0|2,0,0]=3 86 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O C61026 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O A52080 [0,1,0,0,0,0|2,0,0]=3 88 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O F67480 [0,1,0,0,0,0|2,0,0]=3 89 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O A67896 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O A52127 [0,1,0,0,0,0|1,0,0]=2 91 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O T60596 [0,1,0,0,0,0|1,0,0]=2 92 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O C37486 [0,1,0,0,0,0|2,0,0]=3 93 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O A49839 [0,1,0,0,0,0|2,0,0]=3 94 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O A52079 [0,1,0,0,0,0|2,0,0]=3 95 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O A68483 [0,1,0,0,0,0|2,0,0]=3 96 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O T64926 [0,1,0,0,0,0|1,0,0]=2 97 B13R1.164 O=C(O)CCC1=C(Br)C=C(F)C=C1 B51583 [0,1,0,0,0,0|2,0,0]=3 98 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Br)C=C1 B51571 [0,1,0,0,0,0|2,0,0]=3 99 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Cl)C=C1 D51598 [0,1,0,0,0,0|2,0,0]=3 100 B13R1.164 O=C(O)CCC1=C(Cl)C=C(F)C=C1 C51605 [0,1,0,0,0,0|2,0,0]=3 101 B13R1.164 O=C(O)COC1=C(Cl)C=C(Cl)C=C1 D60588 [0,1,0,0,0,0|3,0,0]=4 102 B13R1.164 O=C(O)COC1=C(O)C=C(Cl)C=C1 C48700 [0,1,0,0,0,0|3,0,0]=4 103 B13R1.511 CC1=C(C)C=C(CCC(=O)O)C=C1 D54780 [0,1,0,0,0,0|2,0,0]=3 104 B13R1.511 O=C(O)CCC1=CC(Br)=C(F)C=C1 B51584 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.511 O=C(O)CCC1=CC(Cl)=C(Cl)C=C1 D51599 [0,1,0,0,0,0|2,0,0]=3 106 B13R1.511 O=C(O)CCC1=CC(F)=C(Br)C=C1 B32283 [0,1,0,0,0,0|2,0,0]=3 107 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 C13101 [0,0,0,1,0,0|1,0,0]=2 108 B13R2.155 CN1CCC2=C(C=C(N)C=C2)C1 A11338 [0,0,0,1,0,0|3,0,0]=4 109 B13R2.155 NC1=CC2=C(C=C1)OCC(=O)N2 A48823 [0,0,0,1,0,0|3,0,0]=4 110 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 B52728 [0,0,0,1,0,0|2,0,1]=4 111 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 B52740 [0,0,0,1,0,0|2,0,1]=4 112 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 F52752 [0,0,0,1,0,0|2,0,1]=4 113 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)N1 H24988 [0,0,0,1,0,0|1,0,2]=4 114 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)C1 B64111 [0,0,0,1,0,0|1,0,0]=2 115 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)N1 B51516 [0,0,0,1,0,0|2,0,0]=3 116 B13R2.155 O=C1CCC2=C(C=C(Cl)C=C2)C1 C64118 [0,0,0,1,0,0|1,0,0]=2 117 B13R2.155 O=C1CCC2=C(C=C(Cl)C=C2)N1 C51528 [0,0,0,1,0,0|2,0,0]=3 118 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)C1 F64116 [0,0,0,1,0,0|1,0,0]=2 119 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)N1 F61588 [0,0,0,1,0,0|2,0,0]=3 120 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)C1 H52439 [0,0,0,1,0,0|0,0,0]=1 121 B13R2.155 O=C1COC2=C(C=C(Br)C=C2)N1 B22569 [0,0,0,1,0,0|3,0,0]=4 122 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)C1 C38409 [0,0,0,1,0,0|2,0,0]=3 123 B13R2.155 O=C1NCC2=C(C=C(Br)C=C2)N1 B37490 [0,0,0,1,0,0|3,0,0]=4 124 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 B52021 [0,0,0,0,1,0|1,0,0]=2 125 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 C52036 [0,0,0,0,1,0|1,0,0]=2 126 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 F52043 [0,0,0,0,1,0|1,0,0]=2 127 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 H46009 [0,0,0,0,1,0|2,0,0]=3 128 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 B45690 [0,0,0,0,1,0|3,0,0]=4 129 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 H46008 [0,0,0,0,1,0|2,0,0]=3 130 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 A66708 [0,0,0,0,1,0|2,0,0]=3 131 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 A64153 [0,0,0,0,1,0|1,0,0]=2 132 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B52869 [0,0,0,0,1,0|2,0,1]=4 133 B11R1.20 CC(C)OC1=CC=C(O)C=C1 P60509 [0,0,0,0,1,0|2,0,1]=4 134 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 T37815 [0,0,0,0,1,0|2,0,0]=3 135 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 M49647 [0,0,0,0,1,0|3,0,0]=4 136 B11R1.20 CC1=NC=C(CC(=O)O)C=C1 M61975 [0,0,0,0,1,0|3,0,0]=4 137 B11R1.20 CN(C)CC1=CC=C(N)C=C1 D24687 [0,0,0,0,1,0|3,0,0]=4 138 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 F36778 [0,0,0,0,1,0|1,0,2]=4 139 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 C49035 [0,0,0,0,1,0|2,0,0]=3 140 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 C45699 [0,0,0,0,1,0|3,0,0]=4 141 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 B45688 [0,0,0,0,1,0|3,0,0]=4 142 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 C37226 [0,0,0,0,1,0|3,0,0]=4 143 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 A69139 [0,0,0,0,1,0|2,0,0]=3 144 B11R1.20 O=C(Cl)OC1=CC=C(F)C=C1 F44593 [0,0,0,0,1,0|3,0,0]=4 145 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B7856 [0,0,0,0,1,0|2,0,0]=3 146 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C68318 [0,0,0,0,1,0|2,0,0]=3 147 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 F67433 [0,0,0,0,1,0|2,0,0]=3 148 B11R1.20 O=C(O)CC1=CN=C(Cl)C=C1 C28734 [0,0,0,0,1,0|3,0,0]=4 149 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 B12779 [0,0,0,0,1,0|3,0,0]=4 150 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 C15880 [0,0,0,0,1,0|3,0,0]=4 151 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 F15876 [0,0,0,0,1,0|3,0,0]=4 152 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 I27088 [0,0,0,0,1,0|3,0,0]=4 153 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 P54767 [0,0,0,0,0,1|2,0,0]=3 154 B13R1.513 CC1=CC=C(OCCN(C)C)C=C1 D54992 [0,0,0,0,0,1|3,0,0]=4 155 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 A68979 [0,0,0,0,0,1|2,0,0]=3 156 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 B52615 [0,0,0,0,0,1|2,0,0]=3 157 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 C38697 [0,0,0,0,0,1|2,0,0]=3 158 B13R1.513 O=C(O)CCCC1=CC=C(I)C=C1 K52648 [0,0,0,0,0,1|2,0,0]=3 159 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 H69215 [0,0,0,0,0,1|1,0,0]=2 160 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 B49795 [0,0,0,0,0,1|2,0,0]=3 161 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [2,0,0,0,0,0|2,0,0]=4 162 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [2,0,0,0,0,0|1,0,1]=4 163 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [2,0,0,0,0,0|2,0,0]=4 164 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [2,0,0,0,0,0|1,0,0]=3 165 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [2,0,0,0,0,0|1,0,0]=3 166 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [2,0,0,0,0,0|1,0,0]=3 167 B10R1.1 CCNC1=CC=C(F)C=C1 E46759 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.1 CCOC1=CC=C(I)C=C1 E49468 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.1 CCOC1=CC=C(O)C=C1 E68898 [2,0,0,0,0,0|1,0,0]=3 170 B10R1.1 CCOC1=CC=C([Mg+])C=C1 E31767 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.1 CCSC1=CC=C([Mg+])C=C1 E31791 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.1 ClC1=CC=C(CCBr)C=C1 B48760 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.1 FC1=CC=C(CCBr)C=C1 B13769 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.1 FC1=CC=C(CC[Mg+])C=C1 F31725 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.1 N#CCC1=CC=C(O)C=C1 H68900 [2,0,0,0,0,0|1,0,1]=4 183 B10R1.1 NCCC1=CC=C(Cl)C=C1 C67656 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.1 NCCC1=CC=C(F)C=C1 F69101 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [2,0,0,0,0,0|1,0,0]=3 186 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [2,0,0,0,0,0|1,0,0]=3 187 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [2,0,0,0,0,0|1,0,0]=3 188 B10R1.1 OCCC1=CC=C(Br)C=C1 B36776 [2,0,0,0,0,0|1,0,1]=4 189 B10R1.1 OCCC1=CC=C(Cl)C=C1 C39522 [2,0,0,0,0,0|1,0,1]=4 190 B10R1.1 OCCC1=CC=C(F)C=C1 F49459 [2,0,0,0,0,0|1,0,1]=4 191 B10R1.1 OCCC1=CC=C(I)C=C1 K49469 [2,0,0,0,0,0|1,0,1]=4 192 B10R1.1 [Mg+]CCC1=CC=C(Cl)C=C1 C31726 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [2,0,0,0,0,0|1,0,1]=4 194 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [2,0,0,0,0,0|0,0,2]=4 195 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [2,0,0,0,0,0|1,0,1]=4 196 B10R1.17 C=COCC1=CC=CC=C1 B26636 [2,0,0,0,0,0|1,0,1]=4 197 B10R1.17 CCCCC1=CC=NC=C1 B50306 [2,0,0,0,0,0|1,0,1]=4 198 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [2,0,0,0,0,0|1,0,1]=4 199 B10R1.17 CCCOC1=CC=CC=C1 P50263 [2,0,0,0,0,0|1,0,1]=4 200 B10R1.17 CCNCC1=CC=CC=C1 B39547 [2,0,0,0,0,0|1,0,1]=4 201 B10R1.17 CCOCC1=CC=CC=C1 E50267 [2,0,0,0,0,0|1,0,1]=4 202 B10R1.17 CNCCC1=CC=CN=C1 M46974 [2,0,0,0,0,0|2,0,0]=4 203 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [2,0,0,0,0,0|0,0,2]=4 204 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [2,0,0,0,0,0|1,0,1]=4 205 B12R1.1 CCCCCC1=CC=C(Br)C=C1 B4837 [1,1,0,0,0,0|1,0,1]=4 206 B12R1.1 CCCCCC1=CC=C([Mg+])C=C1 P31797 [1,1,0,0,0,0|1,0,1]=4 207 B12R1.1 COCCOC1=CC=C(Br)C=C1 B36726 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.1 COCCOC1=CC=C(N)C=C1 M50360 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.1 FC1=CC=C(CCCCCl)C=C1 C52680 [1,1,0,0,0,0|1,0,1]=4 210 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 C53068 [1,1,0,0,0,0|1,0,1]=4 211 B12R1.16 C=CC[C@@H](N)C1=CC=C(F)C=C1 F54124 [1,1,0,0,0,0|1,0,1]=4 212 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 H52799 [1,1,0,0,0,0|0,0,2]=4 213 B12R1.16 CCC[C@@H](N)C1=CC=C(C)C=C1 T55524 [1,1,0,0,0,0|1,0,1]=4 214 B12R1.16 COCC(=O)C1=CC=C(O)C=C1 H49931 [1,1,0,0,0,0|1,0,1]=4 215 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M67394 [1,1,0,0,0,0|1,0,1]=4 216 B12R1.71 C#CC1=CC=C(CCCC)C=C1 B55853 [1,1,0,0,0,0|1,0,1]=4 217 B12R1.71 CCNCC1=CC=C(OC)C=C1 M53139 [1,1,0,0,0,0|1,0,1]=4 218 B12R1.71 COC1=CC=C(CCCN)C=C1 M53143 [1,1,0,0,0,0|1,0,1]=4 219 B12R1.71 COC1=CC=C(CNC=O)C=C1 M50050 [1,1,0,0,0,0|1,0,0]=3 220 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 B52541 [1,1,0,0,0,0|1,0,1]=4 221 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B52417 [1,1,0,0,0,0|1,0,1]=4 222 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M53792 [1,1,0,0,0,0|0,0,2]=4 223 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [1,1,0,0,0,0|0,0,0]=2 224 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [1,1,0,0,0,0|1,0,0]=3 225 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [1,1,0,0,0,0|1,0,0]=3 226 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B67680 [1,1,0,0,0,0|1,0,0]=3 227 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B68841 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [1,1,0,0,0,0|0,0,0]=2 229 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 B68284 [1,1,0,0,0,0|1,0,0]=3 230 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [1,1,0,0,0,0|1,0,0]=3 231 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [1,1,0,0,0,0|1,0,1]=4 232 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [1,1,0,0,0,0|0,0,0]=2 233 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)Cl P51914 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [1,1,0,0,0,0|2,0,0]=4 235 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [1,1,0,0,0,0|1,0,0]=3 236 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [1,1,0,0,0,0|1,0,0]=3 237 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [1,1,0,0,0,0|1,0,0]=3 238 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49500 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49660 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O A49659 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A46684 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O A61463 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O A60776 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 B6285 [1,1,0,0,0,0|1,0,0]=3 245 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [1,1,0,0,0,0|1,0,0]=3 246 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [1,1,0,0,0,0|1,0,0]=3 247 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [1,1,0,0,0,0|1,0,0]=3 248 B12R1.43 O=C([O-])N(O)CC1=CC=CC=C1 B49301 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 P52545 [1,1,0,0,0,0|1,0,1]=4 250 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [1,1,0,0,0,0|0,0,1]=3 251 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [1,1,0,0,0,0|1,0,0]=3 252 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [1,1,0,0,0,0|1,0,0]=3 253 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 M63385 [1,1,0,0,0,0|1,0,1]=4 254 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 A53182 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [1,1,0,0,0,0|1,0,0]=3 257 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 P65387 [1,1,0,0,0,0|2,0,0]=4 258 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 P65388 [1,1,0,0,0,0|2,0,0]=4 259 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [1,1,0,0,0,0|1,0,0]=3 260 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [1,1,0,0,0,0|1,0,0]=3 261 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [1,1,0,0,0,0|1,0,0]=3 262 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 A46676 [1,1,0,0,0,0|2,0,0]=4 263 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [1,1,0,0,0,0|1,0,0]=3 264 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [1,1,0,0,0,0|1,0,0]=3 265 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [1,1,0,0,0,0|1,0,0]=3 266 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [1,1,0,0,0,0|1,0,1]=4 267 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [1,1,0,0,0,0|1,0,0]=3 268 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [1,1,0,0,0,0|1,0,0]=3 269 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 M62392 [1,1,0,0,0,0|2,0,0]=4 270 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [1,1,0,0,0,0|1,0,0]=3 271 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [1,1,0,0,0,0|1,0,0]=3 272 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [1,1,0,0,0,0|1,0,0]=3 273 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [1,1,0,0,0,0|1,0,0]=3 274 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 F48669 [1,1,0,0,0,0|2,0,0]=4 275 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C64672 [1,1,0,0,0,0|2,0,0]=4 276 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [1,1,0,0,0,0|1,0,0]=3 277 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 T69043 [1,1,0,0,0,0|2,0,0]=4 278 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [1,1,0,0,0,0|1,0,0]=3 279 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B51889 [1,1,0,0,0,0|1,0,0]=3 280 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 C51921 [1,1,0,0,0,0|1,0,0]=3 281 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [1,1,0,0,0,0|1,0,0]=3 282 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 B63813 [1,1,0,0,0,0|2,0,0]=4 283 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 F48670 [1,1,0,0,0,0|2,0,0]=4 284 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 P38151 [1,1,0,0,0,0|2,0,0]=4 285 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 A52418 [0,1,0,0,1,0|2,0,0]=4 286 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 C60964 [0,1,0,0,1,0|2,0,0]=4 287 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 F61966 [0,1,0,0,1,0|1,0,1]=4 288 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 A50169 [0,1,0,0,1,0|2,0,0]=4 289 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 A52132 [0,1,0,0,1,0|2,0,0]=4 290 B12R1.4 CC(=O)OC1=CC=C(CBr)C=C1 B51883 [0,1,0,0,1,0|2,0,0]=4 291 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 M37629 [0,1,0,0,1,0|1,0,0]=3 292 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 M39603 [0,1,0,0,1,0|0,0,0]=2 293 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 M50047 [0,1,0,0,1,0|1,0,0]=3 294 B12R1.4 COC1=CC=C(OC(=O)Cl)C=C1 M48659 [0,1,0,0,1,0|2,0,0]=4 295 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 M49906 [0,1,0,0,1,0|1,1,0]=4 296 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 C51175 [0,1,0,0,1,0|2,0,0]=4 297 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 A52120 [0,1,0,0,1,0|2,0,0]=4 298 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 B51900 [0,1,0,0,1,0|2,0,0]=4 299 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 H49932 [0,1,0,0,1,0|1,0,0]=3 300 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 F51626 [0,1,0,0,1,0|1,0,1]=4 301 B12R1.19 CC(=O)NC1=CC(Br)=C(F)C=C1 B48547 [0,1,0,0,1,0|2,0,0]=4 302 B12R1.19 CC(=O)NC1=CC(Cl)=C(C)C=C1 C65828 [0,1,0,0,1,0|2,0,0]=4 303 B12R1.19 CC(=O)NC1=CC(Cl)=C(O)C=C1 C48957 [0,1,0,0,1,0|1,0,0]=3 304 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 B51908 [0,1,0,0,1,0|2,0,0]=4 305 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 F51951 [0,1,0,0,1,0|2,0,0]=4 306 B12R1.19 CC1=C(N)C=CC(CC(=O)O)=C1 A50072 [0,1,0,0,1,0|2,0,0]=4 307 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 A48971 [0,1,0,0,1,0|2,0,0]=4 308 B12R1.19 O=C(O)CC1=CC(Br)=C(Cl)C=C1 B38612 [0,1,0,0,1,0|2,0,0]=4 309 B12R1.19 O=C(O)CC1=CC(Br)=C(F)C=C1 B48138 [0,1,0,0,1,0|2,0,0]=4 310 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 D39472 [0,1,0,0,1,0|2,0,0]=4 311 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 C24991 [0,1,0,0,1,0|2,0,0]=4 312 B12R1.19 O=C(O)CC1=CC(F)=C(Br)C=C1 B48139 [0,1,0,0,1,0|2,0,0]=4 313 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 C48175 [0,1,0,0,1,0|2,0,0]=4 314 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 D68031 [0,1,0,0,1,0|2,0,0]=4 315 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 F67401 [0,1,0,0,1,0|1,0,0]=3 316 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 A50054 [0,1,0,0,1,0|2,0,0]=4 317 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 C51931 [0,1,0,0,1,0|2,0,0]=4 318 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(F)C=C1 F51933 [0,1,0,0,1,0|2,0,0]=4 319 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 H61953 [0,1,0,0,1,0|1,0,0]=3 320 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 A49658 [0,1,0,0,1,0|2,0,0]=4 321 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 A38631 [0,1,0,0,1,0|2,0,0]=4 322 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A48955 [0,1,0,0,1,0|2,0,0]=4 323 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A69609 [0,1,0,0,1,0|2,0,0]=4 324 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A49615 [0,1,0,0,1,0|2,0,0]=4 325 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A61587 [0,1,0,0,1,0|2,0,0]=4 326 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 A67693 [0,1,0,0,1,0|1,0,0]=3 327 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 A67722 [0,1,0,0,1,0|2,0,0]=4 328 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 A67501 [0,1,0,0,1,0|2,0,0]=4 329 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 C48668 [0,1,0,0,1,0|2,0,0]=4 330 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 C48176 [0,1,0,0,1,0|2,0,0]=4 331 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C48666 [0,1,0,0,1,0|2,0,0]=4 332 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C61967 [0,1,0,0,1,0|2,0,0]=4 333 B12R1.20 O=C(O)[C@H](O)C1=CC=C(F)C=C1 F61925 [0,1,0,0,1,0|2,0,0]=4 334 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H37553 [0,1,0,0,1,0|1,0,0]=3 335 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H49119 [0,1,0,0,1,0|1,0,0]=3 336 B12R1.20 O=C([O-])[C@H](O)C1=CC=C(O)C=C1 S49483 [0,1,0,0,1,0|1,0,0]=3 337 B12R1.233 CC(=O)CC1=C(Br)C=C(Cl)C=C1 B51652 [0,1,0,0,1,0|1,0,0]=3 338 B12R1.233 CC(=O)CC1=C(F)C=C(F)C=C1 D37777 [0,1,0,0,1,0|1,0,0]=3 339 B12R1.233 CC(=O)NC1=C(Cl)C=C(Br)C=C1 B48546 [0,1,0,0,1,0|2,0,0]=4 340 B12R1.233 CC(=O)NC1=C(F)C=C(C)C=C1 F49864 [0,1,0,0,1,0|2,0,0]=4 341 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 F51952 [0,1,0,0,1,0|2,0,0]=4 342 B12R1.233 CC1=CC(C)=C(CC(=O)O)C=C1 D52798 [0,1,0,0,1,0|2,0,0]=4 343 B12R1.233 CC1=CC(F)=C(CC(=O)O)C=C1 F51945 [0,1,0,0,1,0|2,0,0]=4 344 B12R1.233 O=C(O)CC1=C(Br)C=C(Br)C=C1 D48117 [0,1,0,0,1,0|2,0,0]=4 345 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 B48126 [0,1,0,0,1,0|2,0,0]=4 346 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 B48142 [0,1,0,0,1,0|2,0,0]=4 347 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 B48128 [0,1,0,0,1,0|2,0,0]=4 348 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 D68786 [0,1,0,0,1,0|2,0,0]=4 349 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 C48172 [0,1,0,0,1,0|2,0,0]=4 350 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 B48143 [0,1,0,0,1,0|2,0,0]=4 351 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 C48170 [0,1,0,0,1,0|2,0,0]=4 352 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 D69394 [0,1,0,0,1,0|2,0,0]=4 353 B12R1.233 O=C(O)CC1=C(F)C=C(O)C=C1 F48685 [0,1,0,0,1,0|1,0,0]=3 354 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 E38126 [0,1,0,0,0,1|2,0,0]=4 355 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 M54789 [0,1,0,0,0,1|1,0,0]=3 356 B14R1.4 COC1=CC=C(COCC(=O)O)C=C1 M52856 [0,1,0,0,0,1|1,0,0]=3 357 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 M52855 [0,1,0,0,0,1|1,0,0]=3 358 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 M67740 [0,1,0,0,0,1|1,0,0]=3 359 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Br)C=C1 B54022 [0,1,0,0,0,1|1,0,1]=4 360 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 X54572 [0,1,0,0,0,1|2,0,0]=4 361 B14R1.678 CC1=CC=C([C@@H](N)CCC(=O)O)C=C1 A55505 [0,1,0,0,0,1|2,0,0]=4 362 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 D55512 [0,1,0,0,0,1|2,0,0]=4 363 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 B54020 [0,1,0,0,0,1|2,0,0]=4 364 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 F68300 [0,1,0,0,0,1|2,0,0]=4 365 B14R1.687 O=C(O)CNCC1=CC(Cl)=C(Cl)C=C1 D51799 [0,1,0,0,0,1|2,0,0]=4 366 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 A52983 [0,2,0,0,0,0|1,0,0]=3 367 B14R1.2 COC1=CC=C([C@H](N)CC(=O)O)C=C1 A37543 [0,2,0,0,0,0|1,0,0]=3 368 B14R1.2 N#CC1=CC=C([C@@H](N)CC(=O)O)C=C1 A52321 [0,2,0,0,0,0|2,0,0]=4 369 B14R1.2 N#CC1=CC=C([C@H](N)CC(=O)O)C=C1 A52320 [0,2,0,0,0,0|2,0,0]=4 370 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A54170 [0,2,0,0,0,0|1,0,0]=3 371 B14R1.3 N#CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A69607 [0,2,0,0,0,0|2,0,0]=4 372 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A69612 [0,2,0,0,0,0|2,0,0]=4 373 B14R1.5 CCC(=O)C=CC1=CC=C(OC)C=C1 M55919 [0,2,0,0,0,0|0,0,2]=4 374 B14R1.5 COC(=O)COC1=CC=C(C#N)C=C1 M53955 [0,2,0,0,0,0|2,0,0]=4 375 B14R1.142 NCCC1=CC=C(CCC(=O)O)C=C1 A61555 [0,2,0,0,0,0|2,0,0]=4 376 B14R1.419 O=C(O)CCC1=CC=C(C(=O)O)C=C1 C52469 [0,2,0,0,0,0|1,0,0]=3 377 B14R1.419 O=C(O)CCC1=CC=C([N+](=O)[O-])C=C1 N51831 [0,2,0,0,0,0|1,0,1]=4 378 B14R1.3653 COC1=C(Cl)C=C(CCC(=O)O)C=C1 C52661 [0,2,0,0,0,0|1,0,0]=3 379 B14R1.3653 COC1=C(F)C=C(CCC(=O)O)C=C1 F63025 [0,2,0,0,0,0|1,0,0]=3 380 B14R1.10 COC(=O)CC(=O)C1=CC=C(Cl)C=C1 M62349 [0,2,0,0,0,0|1,0,1]=4 381 B14R1.10 COC(=O)CC(=O)C1=CC=C(F)C=C1 M54026 [0,2,0,0,0,0|1,0,1]=4 382 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Br)C=C1 M52758 [0,2,0,0,0,0|1,0,0]=3 383 B14R1.134 COC(=O)[C@@H](C)OC1=CC=C(O)C=C1 M52859 [0,2,0,0,0,0|1,0,0]=3 384 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 M67781 [0,2,0,0,0,0|1,0,0]=3 385 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 M54134 [0,2,0,0,0,0|1,0,0]=3 386 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M54169 [0,2,0,0,0,0|0,0,0]=2 387 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M67908 [0,2,0,0,0,0|0,0,0]=2 388 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C)C=C1 M54181 [0,2,0,0,0,0|2,0,0]=4 389 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(Cl)C=C1 M49988 [0,2,0,0,0,0|2,0,0]=4 390 B14R1.293 CNS(=O)(=O)CCC1=CC=C(N)C=C1 A50409 [0,2,0,0,0,0|2,0,0]=4 391 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 E38388 [0,2,0,0,0,0|1,0,0]=3 392 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 E66576 [0,2,0,0,0,0|1,0,0]=3 393 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 E54678 [0,2,0,0,0,0|1,0,0]=3 394 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 E54798 [0,2,0,0,0,0|0,0,0]=2 395 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 E65342 [0,2,0,0,0,0|1,0,0]=3 396 B14R1.727 COC(=O)CCC1=C(O)C=C(O)C=C1 M52858 [0,2,0,0,0,0|0,0,0]=2 397 B14R1.727 COC(=O)COC1=C(C)C=C(O)C=C1 M64320 [0,2,0,0,0,0|1,0,0]=3 398 B14R1.685 CC1=C(C)C=C([C@H](N)CC(=O)O)C=C1 A55511 [0,2,0,0,0,0|2,0,0]=4 399 B14R1.685 N[C@@H](CC(=O)O)C1=CC(F)=C(Br)C=C1 A51793 [0,2,0,0,0,0|2,0,0]=4 400 B14R1.685 N[C@H](CC(=O)O)C1=CC(Cl)=C(Cl)C=C1 A51803 [0,2,0,0,0,0|2,0,0]=4 401 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(F)C=C1 A52765 [0,2,0,0,0,0|2,0,0]=4 402 B14R1.686 NC(=O)[C@@H](N)CC1=CC(O)=C(O)C=C1 A52140 [0,2,0,0,0,0|1,0,0]=3 403 B14R1.686 N[C@@H](CC1=CC(Br)=C(O)C=C1)C(=O)O A69186 [0,2,0,0,0,0|1,0,0]=3 404 B14R1.686 N[C@@H](CC1=CC(F)=C(F)C=C1)C(=O)O A51812 [0,2,0,0,0,0|2,0,0]=4 405 B14R1.686 N[C@@H](CC1=CC(F)=C(F)C=C1)C(=O)O D60689 [0,2,0,0,0,0|2,0,0]=4 406 B14R1.6049 N[C@@H](CC1=C(Cl)C=C(Cl)C=C1)C(=O)O A60896 [0,2,0,0,0,0|2,0,0]=4 407 B14R1.6049 N[C@@H](CC1=C(F)C=C(F)C=C1)C(=O)O A51810 [0,2,0,0,0,0|2,0,0]=4 408 B14R1.6049 N[C@H](CC1=C(Cl)C=C(Cl)C=C1)C(=O)O D51795 [0,2,0,0,0,0|2,0,0]=4 409 B14R1.6049 N[C@H](CC1=C(F)C=C(F)C=C1)C(=O)O A51809 [0,2,0,0,0,0|2,0,0]=4 410 B14R1.7626 C[C@](N)(CC1=CC=C(O)C=C1)C(=O)O M64875 [0,2,0,0,0,0|1,0,0]=3 411 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 B52500 [1,0,0,1,0,0|1,0,1]=4 412 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 B11621 [1,0,0,1,0,0|2,0,0]=4 413 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 B5487 [1,0,0,1,0,0|2,0,0]=4 414 B12R2.24 BrC1=CC2=C(C=C1)CCOC2 B52019 [1,0,0,1,0,0|2,0,0]=4 415 B12R2.24 CC1=CC2=C(C=C1)CCCC2 M54692 [1,0,0,1,0,0|1,0,1]=4 416 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M52881 [1,0,0,1,0,0|2,0,0]=4 417 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M61207 [1,0,0,1,0,0|2,0,0]=4 418 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 C49772 [1,0,0,1,0,0|2,0,0]=4 419 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 C49779 [1,0,0,1,0,0|2,0,0]=4 420 B12R2.24 NC1=CC2=C(C=C1)CCNC2 T52130 [1,0,0,1,0,0|2,0,0]=4 421 B12R2.24 OC1=CC2=C(C=C1)CCCC2 T37096 [1,0,0,1,0,0|0,0,1]=3 422 B12R2.24 OC1=CC2=C(C=C1)CCCN2 H50029 [1,0,0,1,0,0|1,0,1]=4 423 B12R2.24 OC1=CC2=C(C=C1)CNCC2 T38163 [1,0,0,1,0,0|1,0,1]=4 424 B12R2.24 OC1=CC2=C(C=C1)CNCC2 T67068 [1,0,0,1,0,0|1,0,1]=4 425 B12R2.24 OC1=CC2=C(C=C1)NCCC2 H50028 [1,0,0,1,0,0|1,0,1]=4 426 B12R2.24 OC1=CN=C2CCCCC2=C1 T38906 [1,0,0,1,0,0|1,0,1]=4 427 B12R2.24 OC1=CN=C2CCNCC2=C1 T4034 [1,0,0,1,0,0|2,0,0]=4 428 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(O)C=C2 A29485 [1,0,0,1,0,0|1,0,1]=4 429 B12R2.132 CC1=CC2=C(C=C1)COC2=O M51554 [1,0,0,1,0,0|2,0,0]=4 430 B12R2.132 NC1=CC2=C(C=C1)CCC2=O A4485 [1,0,0,1,0,0|1,0,0]=3 431 B12R2.132 NC1=CC2=C(C=C1)CNC2=O A8073 [1,0,0,1,0,0|2,0,0]=4 432 B12R2.132 NC1=CC2=C(C=C1)COC2=O A12213 [1,0,0,1,0,0|2,0,0]=4 433 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 A31037 [1,0,0,1,0,0|1,0,1]=4 434 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 H13146 [1,0,0,1,0,0|1,0,1]=4 435 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 H13147 [1,0,0,1,0,0|1,0,1]=4 436 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 B13141 [1,0,0,1,0,0|1,0,0]=3 437 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 C13148 [1,0,0,1,0,0|1,0,0]=3 438 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 F51322 [1,0,0,1,0,0|1,0,0]=3 439 B12R2.132 O=C1CCC2=C1C=C(I)C=C2 D9500 [1,0,0,1,0,0|1,0,0]=3 440 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 H51556 [1,0,0,1,0,0|0,0,0]=2 441 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 B24181 [1,0,0,1,0,0|2,0,0]=4 442 B12R2.132 O=C1NCC2=C1C=C(Br)C=C2 B14059 [1,0,0,1,0,0|2,0,0]=4 443 B12R2.132 O=C1NCC2=C1C=C(Cl)C=C2 C48084 [1,0,0,1,0,0|2,0,0]=4 444 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 F48098 [1,0,0,1,0,0|2,0,0]=4 445 B12R2.132 O=C1NCC2=C1C=C(O)C=C2 H38857 [1,0,0,1,0,0|1,0,0]=3 446 B12R2.132 O=C1OCC2=C1C=C(Br)C=C2 B12788 [1,0,0,1,0,0|2,0,0]=4 447 B12R2.132 O=C1OCC2=C1C=C(F)C=C2 F47784 [1,0,0,1,0,0|2,0,0]=4 448 B12R2.132 O=C1OCC2=C1C=C(I)C=C2 I12214 [1,0,0,1,0,0|2,0,0]=4 449 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 B8588 [1,0,0,1,0,0|2,0,0]=4 450 B12R2.2302 NC1=CC=C(C2COC2)C=C1 X17674 [1,0,0,1,0,0|2,0,0]=4 451 B12R2.22 NC1CC(C2=CC=CC=C2)C1 P15206 [1,0,0,1,0,0|1,0,1]=4 452 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 P11821 [1,0,0,1,0,0|1,0,1]=4 453 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [1,0,0,1,0,0|0,0,0]=2 454 B12R2.606 CC1=CC2=C(C=C(O)C=C2)N1 M24189 [0,0,0,1,1,0|1,0,1]=4 455 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 M63165 [0,0,0,1,1,0|0,0,2]=4 456 B12R2.606 CC1=CC2=C(C=C1)CC(=O)N2 M24288 [0,0,0,1,1,0|2,0,0]=4 457 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 M51752 [0,0,0,1,1,0|2,0,0]=4 458 B12R2.606 CC1=CC2=C(C=CC(O)=C2)N1 M18691 [0,0,0,1,1,0|2,0,0]=4 459 B12R2.606 CC1=NC2=C(C=CC(O)=C2)N1 M48808 [0,0,0,1,1,0|2,0,0]=4 460 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 M38254 [0,0,0,1,1,0|2,0,0]=4 461 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 A12202 [0,0,0,1,1,0|2,0,0]=4 462 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 A0306 [0,0,0,1,1,0|2,0,0]=4 463 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 A49612 [0,0,0,1,1,0|2,0,0]=4 464 B12R2.606 NC1=CC2=C(C=C1)OC(=O)C2 A48458 [0,0,0,1,1,0|2,0,0]=4 465 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 B51311 [0,0,0,1,1,0|1,0,0]=3 466 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 B9533 [0,0,0,1,1,0|2,0,0]=4 467 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 C51319 [0,0,0,1,1,0|1,0,0]=3 468 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 C24287 [0,0,0,1,1,0|2,0,0]=4 469 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 F24289 [0,0,0,1,1,0|2,0,0]=4 470 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 K61888 [0,0,0,1,1,0|2,0,0]=4 471 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 B0214 [0,0,0,1,1,0|2,0,0]=4 472 B12R2.606 O=C1CC2=C(C=CC(F)=C2)N1 F28486 [0,0,0,1,1,0|2,0,0]=4 473 B14R2.20 O=C1CC[C@@H](C2=CC=C(Br)C=C2)N1 B52394 [0,0,0,1,0,1|2,0,0]=4 474 B14R2.20 O=C1CC[C@@H](C2=CC=C(O)C=C2)N1 H52567 [0,0,0,1,0,1|1,0,0]=3 475 B14R2.20 O=C1C[C@H](C2=CC=C(Cl)C=C2)CN1 C52398 [0,0,0,1,0,1|1,0,0]=3 476 B14R2.20 O=C1C[C@H](C2=CC=C(F)C=C2)CN1 F52400 [0,0,0,1,0,1|1,0,0]=3 477 B14R2.20 O=C1NC[C@@H](C2=CC=C(Br)C=C2)O1 B61250 [0,0,0,1,0,1|2,0,0]=4 478 B14R2.380 NC1=CC2=C(C=C1)CCCC(=O)N2 A1769 [0,0,0,1,0,1|2,0,0]=4 479 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 B38910 [0,0,0,1,0,1|2,0,0]=4 480 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 C53997 [0,0,0,1,0,1|2,0,0]=4 481 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 F54003 [0,0,0,1,0,1|2,0,0]=4 482 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(F)C=C2 F61869 [0,0,0,1,0,1|2,0,0]=4 483 B14R2.4402 O=C(O)[C@@H]1C[C@H]1C2=CC=C(O)C=C2 H29928 [0,0,0,1,0,1|1,0,0]=3 484 B14R2.5816 O=C(O)[C@@H]1CCC2=C1C=C(Br)C=C2 B38090 [0,0,0,1,0,1|2,0,0]=4 485 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)N2 M52571 [0,1,0,1,0,0|1,0,0]=3 486 B14R2.134 O=C1CCC2=C(C=C(CO)C=C2)N1 H62301 [0,1,0,1,0,0|1,0,0]=3 487 B14R2.8239 O=C1CCC2=CC(Cl)=C(Cl)C=C2C1 D64117 [0,1,0,1,0,0|1,0,0]=3 488 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [1,0,0,0,1,0|1,0,0]=3 489 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [1,0,0,0,1,0|1,0,0]=3 490 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [1,0,0,0,1,0|1,0,0]=3 491 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [1,0,0,0,1,0|2,0,0]=4 492 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [1,0,0,0,1,0|1,0,1]=4 493 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [1,0,0,0,1,0|2,0,0]=4 494 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [1,0,0,0,1,0|1,0,0]=3 495 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [1,0,0,0,1,0|2,0,0]=4 496 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [1,0,0,0,1,0|2,0,0]=4 497 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [1,0,0,0,1,0|2,0,0]=4 498 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [1,0,0,0,1,0|2,0,0]=4 499 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [1,0,0,0,1,0|2,0,0]=4 500 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [1,0,0,0,1,0|2,0,0]=4 501 B10R1.66 CC(=O)OCC1=CC=CO1 F39416 [1,0,0,0,1,0|2,0,0]=4 502 B10R1.66 O=C(O)CCC1=CC=CN1 P46404 [1,0,0,0,1,0|2,0,0]=4 503 B10R1.66 O=C(O)CCC1=CC=CO1 F46252 [1,0,0,0,1,0|2,0,0]=4 504 B10R1.66 O=C(O)CCC1=CC=CS1 T46244 [1,0,0,0,1,0|2,0,0]=4 505 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [0,0,0,0,2,0|2,0,0]=4 506 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [0,0,0,0,2,0|1,0,0]=3 507 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [0,0,0,0,2,0|1,0,0]=3 508 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [0,0,0,0,2,0|1,0,0]=3 509 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [0,0,0,0,2,0|1,0,0]=3 510 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [0,0,0,0,2,0|1,0,0]=3 511 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [0,0,0,0,2,0|1,0,0]=3 512 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [0,0,0,0,2,0|0,0,0]=2 513 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B3106 [0,0,0,0,2,0|2,0,0]=4 514 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [0,0,0,0,2,0|2,0,0]=4 515 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 A24257 [0,0,0,0,2,0|2,0,0]=4 516 B10R1.13 CC(=O)C1=CN=C(F)C=C1 F45498 [0,0,0,0,2,0|2,0,0]=4 517 B10R1.13 CC(=O)C1=CN=C(N)C=C1 A22139 [0,0,0,0,2,0|2,0,0]=4 518 B10R1.13 CC(=O)C1=CNC(=O)C=C1 A67563 [0,0,0,0,2,0|1,0,1]=4 519 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 B22347 [0,0,0,0,2,0|2,0,0]=4 520 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [0,0,0,0,2,0|2,0,0]=4 521 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 C26822 [0,0,0,0,2,0|2,0,0]=4 522 B10R1.13 CC(=O)C1=NC=C(O)C=C1 H45820 [0,0,0,0,2,0|1,0,0]=3 523 B10R1.13 CC(=O)C1=NC=C(O)N=C1 H42776 [0,0,0,0,2,0|2,0,0]=4 524 B10R1.13 CC(C)C1=CC=C(O)C=C1 P60863 [0,0,0,0,2,0|1,0,1]=4 525 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [0,0,0,0,2,0|2,0,0]=4 526 B10R1.13 CC1=CC=C(C(N)=O)C=C1 M39514 [0,0,0,0,2,0|2,0,0]=4 527 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [0,0,0,0,2,0|2,0,0]=4 528 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [0,0,0,0,2,0|0,0,2]=4 529 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [0,0,0,0,2,0|2,0,0]=4 530 B10R1.13 N=C(N)C1=CC=C(O)C=C1 H46554 [0,0,0,0,2,0|2,0,0]=4 531 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 B45467 [0,0,0,0,2,0|2,0,0]=4 532 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C45478 [0,0,0,0,2,0|2,0,0]=4 533 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A37818 [0,0,0,0,2,0|2,0,0]=4 534 B10R1.13 NC(=S)C1=CC=C(O)C=C1 H39401 [0,0,0,0,2,0|1,1,0]=4 535 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C67273 [0,0,0,0,2,0|2,0,0]=4 536 B10R1.13 O=C(O)C1=CC=C(I)C=C1 K39365 [0,0,0,0,2,0|2,0,0]=4 537 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M69070 [0,0,0,0,2,0|1,1,0]=4 538 B10R1.13 O=C(O)C1=NC=C(O)C=C1 H8151 [0,0,0,0,2,0|2,0,0]=4 539 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [1,0,0,0,0,1|0,0,0]=2 540 B12R1.252 CN(C)CCOC1=CC=CC=C1 D53142 [1,0,0,0,0,1|2,0,0]=4 541 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 B37631 [1,0,0,0,0,1|0,0,2]=4 542 B12R1.252 O=C(O)CCCC1=NC=CC=C1 P50052 [1,0,0,0,0,1|2,0,0]=4 543 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [1,0,0,0,0,1|1,0,0]=3 544 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [1,0,0,0,0,1|1,0,0]=3 545 B14R1.677 O=C(O)CCCOC1=CC=C(Br)C=C1 B52653 [0,0,0,0,0,2|2,0,0]=4 546 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 C52659 [0,0,0,0,0,2|2,0,0]=4