0 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 B52541 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B52417 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M53792 [0,0,0,0,0,0|0,0,2]=2 3 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [0,0,0,0,0,0|0,0,2]=2 4 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [0,0,0,0,0,0|1,0,1]=2 5 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [0,0,0,0,0,0|1,0,1]=2 6 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B67680 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B68841 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [0,0,0,0,0,0|2,0,2]=4 9 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 B68284 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.28 CCOC=NC1=CC=CC=C1 E50019 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [1,0,0,0,0,0|0,0,0]=1 14 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [1,0,0,0,0,0|0,0,2]=3 19 B11R1.91 O=C(O)C#CC1=CN=CC=C1 P47713 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.91 O=C(O)C=CC1=CN=CC=C1 P48460 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.91 O=C(O)C=CC1=NC=CC=C1 P48456 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.91 O=C(O)COC1=CC=NC=C1 P45840 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.91 O=C(O)COC1=CN=CC=C1 P45834 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.91 O=C(O)CSC1=CC=NC=C1 P68840 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [1,0,0,0,0,0|0,0,0]=1 29 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P69501 [1,0,0,0,0,0|1,0,0]=2 30 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 P48463 [1,0,0,0,0,0|1,0,0]=2 31 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 P4986 [1,0,0,0,0,0|1,0,1]=3 32 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 M52457 [0,1,0,0,0,0|0,0,1]=2 33 B13R1.11 COC(=O)CC(=O)C1=CC=NC=C1 M51823 [0,1,0,0,0,0|1,0,1]=3 34 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 M51824 [0,1,0,0,0,0|1,0,1]=3 35 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M54166 [0,1,0,0,0,0|0,0,2]=3 36 B13R1.11 COC(=O)C[C@H](N)C1=NC=CC=C1 M52253 [0,1,0,0,0,0|1,0,2]=4 37 B13R1.14 COC(=O)C=CC1=CC=C(Br)C=C1 M53987 [0,1,0,0,0,0|0,0,0]=1 38 B13R1.14 COC(=O)C=CC1=CC=C(C)C=C1 M54553 [0,1,0,0,0,0|0,0,0]=1 39 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 M52626 [0,1,0,0,0,0|0,0,2]=3 40 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 M52652 [0,1,0,0,0,0|0,0,2]=3 41 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 M38944 [0,1,0,0,0,0|0,0,2]=3 42 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 M54163 [0,1,0,0,0,0|0,0,2]=3 43 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 M68976 [0,1,0,0,0,0|0,0,2]=3 44 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 M51987 [0,1,0,0,0,0|1,0,1]=3 45 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 M52841 [0,1,0,0,0,0|0,0,2]=3 46 B13R1.15 COC(=O)CCC1=CC=CC(Br)=C1 M38076 [0,1,0,0,0,0|0,0,2]=3 47 B13R1.15 COC(=O)\C=C\C1=CC(N)=CC=C1 M52568 [0,1,0,0,0,0|0,0,0]=1 48 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 P56074 [0,1,0,0,0,0|1,0,2]=4 49 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 E62302 [0,1,0,0,0,0|0,0,2]=3 50 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 P52940 [0,1,0,0,0,0|1,0,1]=3 51 B13R1.42 CCOC(=O)COC1=CN=CC=C1 E50088 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 E69409 [0,1,0,0,0,0|0,0,0]=1 53 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 B62459 [0,1,0,0,0,0|2,0,1]=4 54 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 B68220 [0,1,0,0,0,0|2,0,1]=4 55 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 A53040 [0,1,0,0,0,0|1,0,2]=4 56 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 M52623 [0,1,0,0,0,0|0,0,2]=3 57 B13R1.135 COC(=O)[C@@H](Cl)CC1=CC=CC=C1 M22031 [0,1,0,0,0,0|0,0,2]=3 58 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 M69265 [0,1,0,0,0,0|0,0,2]=3 59 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M37251 [0,1,0,0,0,0|0,0,2]=3 60 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M52845 [0,1,0,0,0,0|0,0,2]=3 61 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 M52844 [0,1,0,0,0,0|0,0,2]=3 62 B13R1.135 CON(C)C(=O)CC1=CC=CC=C1 M52961 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 B50180 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 A68459 [0,1,0,0,0,0|2,0,1]=4 65 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 A69426 [0,1,0,0,0,0|2,0,1]=4 66 B13R1.528 COC(=O)C=CC1=C(N)C=CC=C1 M52562 [0,1,0,0,0,0|0,0,0]=1 67 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 M52625 [0,1,0,0,0,0|0,0,2]=3 68 B13R2.10 BrC1=CC(C2=CC=CC=C2)=NN1 B37497 [0,0,0,1,0,0|3,0,0]=4 69 B13R2.10 BrC1=NC(C2=CC=CC=C2)=NO1 B47610 [0,0,0,1,0,0|3,0,0]=4 70 B13R2.10 CC1=NNC(C2=CC=CC=C2)=C1 M52281 [0,0,0,1,0,0|3,0,0]=4 71 B13R2.10 ClC1=CC(C2=CC=CC=C2)=NO1 C50933 [0,0,0,1,0,0|2,0,0]=3 72 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 A51351 [0,0,0,1,0,0|2,0,0]=3 73 B13R2.10 NC1=CC(C2=CC=CC=C2)=NS1 P51430 [0,0,0,1,0,0|2,1,0]=4 74 B13R2.10 O=C1CC(C2=CC=NC=C2)=NO1 P47886 [0,0,0,1,0,0|2,0,1]=4 75 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 P37550 [0,0,0,1,0,0|3,0,0]=4 76 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 P32385 [0,0,0,1,0,0|1,0,2]=4 77 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P61078 [0,0,0,1,0,0|1,0,1]=3 78 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 P11961 [0,0,0,1,0,0|1,1,1]=4 79 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 P61590 [0,0,0,1,0,0|2,0,1]=4 80 B13R2.32 CC1=C(Br)C=CC2=CC=CN=C21 B53711 [0,0,0,1,0,0|3,0,0]=4 81 B13R2.32 CC1=C(Br)C=CC2=NC=CC=C21 B53707 [0,0,0,1,0,0|3,0,0]=4 82 B13R2.32 CC1=C(Br)C=NC2=CC=CC=C21 B53702 [0,0,0,1,0,0|3,0,0]=4 83 B13R2.32 CC1=C(Cl)C=CC2=CC=CN=C21 C53728 [0,0,0,1,0,0|3,0,0]=4 84 B13R2.32 CC1=C(O)C=NC2=CC=CC=C21 M53894 [0,0,0,1,0,0|2,0,1]=4 85 B13R2.32 CC1=C([Mg+])C2=CC=CC=C2C=C1 M31716 [0,0,0,1,0,0|3,0,0]=4 86 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 B39639 [0,0,0,1,0,0|2,0,1]=4 87 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 B67708 [0,0,0,1,0,0|3,0,0]=4 88 B13R2.32 OC1=C(Cl)C2=CC=CC=C2C=C1 C38681 [0,0,0,1,0,0|2,0,1]=4 89 B13R2.32 OC1=C(I)C2=CC=CC=C2C=C1 K53627 [0,0,0,1,0,0|2,0,1]=4 90 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 D54551 [0,0,0,1,0,0|1,0,2]=4 91 B13R2.57 BrCC1=CC2=CC=CC=C2C=C1 B55307 [0,0,0,1,0,0|3,0,0]=4 92 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 B53698 [0,0,0,1,0,0|3,0,0]=4 93 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 E67694 [0,0,0,1,0,0|2,0,1]=4 94 B13R2.57 C=CC1=NC2=CC=CC=C2C=C1 V55310 [0,0,0,1,0,0|2,0,1]=4 95 B13R2.57 CNC1=NC2=CC=CC=C2C=C1 M52278 [0,0,0,1,0,0|2,0,0]=3 96 B13R2.57 COC1=CC2=CC=CC=C2N=C1 M53890 [0,0,0,1,0,0|2,0,0]=3 97 B13R2.57 COC1=CC2=CC=CN=C2C=C1 M69058 [0,0,0,1,0,0|2,0,0]=3 98 B13R2.57 COC1=CC2=CC=NC=C2C=C1 M53897 [0,0,0,1,0,0|2,0,0]=3 99 B13R2.57 COC1=NC2=CC=CC=C2C=C1 M53889 [0,0,0,1,0,0|1,0,0]=2 100 B13R2.57 ClCC1=CC2=CC=CC=C2C=C1 C55309 [0,0,0,1,0,0|3,0,0]=4 101 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 C53733 [0,0,0,1,0,0|3,0,0]=4 102 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 Q3937 [0,0,0,1,0,0|3,0,0]=4 103 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 N54371 [0,0,0,1,0,0|3,0,0]=4 104 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 N55437 [0,0,0,1,0,0|3,0,0]=4 105 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 N39648 [0,0,0,1,0,0|3,0,0]=4 106 B13R2.57 NNC1=NC2=CC=CC=C2C=C1 H51702 [0,0,0,1,0,0|3,0,0]=4 107 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 N64900 [0,0,0,1,0,0|3,0,0]=4 108 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 N67432 [0,0,0,1,0,0|3,0,0]=4 109 B13R2.15272 COC(=O)[C@@H]1CC2=C1C=CC=C2 M52443 [0,0,0,1,0,0|0,0,2]=3 110 B11R1.25 COC(=O)CCC1=CC=CN1 M32114 [0,0,0,0,1,0|1,0,2]=4 111 B11R1.40 C=CC(=O)NC1=CC=CC=C1 P38034 [0,0,0,0,1,0|2,0,1]=4 112 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P32241 [0,0,0,0,1,0|2,0,1]=4 113 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [0,0,0,0,1,0|2,0,1]=4 114 B11R1.40 COC(=O)CC1=CC=NC=C1 M22906 [0,0,0,0,1,0|1,0,1]=3 115 B11R1.40 COC(=O)CC1=CN=CC=C1 M12485 [0,0,0,0,1,0|1,0,1]=3 116 B11R1.40 COC(=O)CC1=CN=NC=C1 M10235 [0,0,0,0,1,0|2,0,1]=4 117 B11R1.40 COC(=O)CC1=NC=CC=C1 M12486 [0,0,0,0,1,0|1,0,1]=3 118 B11R1.40 COC(=O)CC1=NC=CC=N1 M46001 [0,0,0,0,1,0|2,0,1]=4 119 B11R1.40 COC(=O)CC1=NC=CN=C1 M12293 [0,0,0,0,1,0|2,0,1]=4 120 B11R1.40 COC(=O)CC1=NC=NC=C1 M12914 [0,0,0,0,1,0|2,0,1]=4 121 B11R1.40 COC(=O)CC1=NN=CC=C1 M10253 [0,0,0,0,1,0|2,0,1]=4 122 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [0,0,0,0,1,0|1,0,0]=2 123 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B49021 [0,0,0,0,1,0|3,0,0]=4 124 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B64861 [0,0,0,0,1,0|3,0,0]=4 125 B11R1.40 O=C(CBr)OC1=CC=CC=C1 P48564 [0,0,0,0,1,0|3,0,0]=4 126 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C38641 [0,0,0,0,1,0|3,0,0]=4 127 B13R1.718 CCC(=O)COCC1=CC=CC=C1 B54766 [0,0,0,0,0,1|1,0,2]=4 128 B13R1.718 COC(=O)CCNC1=CC=CC=C1 M52952 [0,0,0,0,0,1|0,0,2]=3 129 B13R1.718 COC(=O)CNCC1=CC=CC=C1 M52944 [0,0,0,0,0,1|0,0,2]=3 130 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [2,0,0,0,0,0|0,0,2]=4 131 B12R0.248 CCC\C=C/C=C/C=C/C(=O)OC M54958 [0,1,1,0,0,0|0,0,2]=4 132 B12R1.21 CC(=O)NNC1=CC=C(Br)C=C1 B49191 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 H64577 [1,1,0,0,0,0|0,0,0]=2 134 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 T52428 [1,1,0,0,0,0|0,0,0]=2 135 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 T39588 [1,1,0,0,0,0|0,0,0]=2 136 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [1,1,0,0,0,0|0,0,2]=4 137 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 A49317 [1,1,0,0,0,0|1,0,1]=4 138 B12R1.21 NC1=NC=C(\C=C\C(=O)O)C=C1 A48825 [1,1,0,0,0,0|1,0,0]=3 139 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 C50769 [1,1,0,0,0,0|0,0,2]=4 140 B12R1.21 O=C(O)C=CC1=CC=C(Br)C=C1 B39566 [1,1,0,0,0,0|0,0,0]=2 141 B12R1.21 O=C(O)C=CC1=CC=C(Cl)C=C1 C39568 [1,1,0,0,0,0|0,0,0]=2 142 B12R1.21 O=C(O)C=CC1=CN=C(Br)C=C1 B47990 [1,1,0,0,0,0|1,0,0]=3 143 B12R1.21 O=C(O)C=CC1=NC=C(F)C=C1 F38916 [1,1,0,0,0,0|1,0,0]=3 144 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [1,1,0,0,0,0|0,0,2]=4 145 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [1,1,0,0,0,0|0,0,2]=4 146 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [1,1,0,0,0,0|0,0,2]=4 147 B12R1.21 O=[N+]([O-])C=CC1=CC=C(O)C=C1 N48495 [1,1,0,0,0,0|1,0,1]=4 148 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(Br)C=C1 B68926 [1,1,0,0,0,0|1,0,1]=4 149 B12R1.21 OB(O)\C=C\C1=CC=C(Cl)C=C1 C2298 [1,1,0,0,0,0|1,0,1]=4 150 B12R1.21 OB(O)\C=C\C1=CC=C(F)C=C1 F3384 [1,1,0,0,0,0|1,0,1]=4 151 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [1,1,0,0,0,0|0,0,1]=3 152 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [1,1,0,0,0,0|0,0,2]=4 153 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [1,1,0,0,0,0|1,0,1]=4 154 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O M62826 [1,1,0,0,0,0|1,0,0]=3 155 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [1,1,0,0,0,0|0,0,2]=4 156 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [1,1,0,0,0,0|0,0,2]=4 157 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [1,1,0,0,0,0|0,0,2]=4 158 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [1,1,0,0,0,0|0,0,2]=4 159 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [1,1,0,0,0,0|0,0,2]=4 160 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 P52545 [1,1,0,0,0,0|1,0,0]=3 161 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [1,1,0,0,0,0|0,0,1]=3 162 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [1,1,0,0,0,0|1,0,1]=4 163 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [1,1,0,0,0,0|1,0,1]=4 164 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [1,1,0,0,0,0|1,0,1]=4 165 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [1,1,0,0,0,0|0,0,2]=4 166 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [1,1,0,0,0,0|0,0,2]=4 167 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [1,1,0,0,0,0|0,0,2]=4 168 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [1,1,0,0,0,0|0,0,2]=4 169 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [1,1,0,0,0,0|0,0,2]=4 170 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [1,1,0,0,0,0|0,0,2]=4 171 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [1,1,0,0,0,0|0,0,2]=4 172 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [1,1,0,0,0,0|0,0,2]=4 173 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.125 CC1=C(C=CC(=O)O)C=CC=C1 M52420 [1,1,0,0,0,0|0,0,0]=2 175 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [1,1,0,0,0,0|0,0,2]=4 176 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 M62392 [1,1,0,0,0,0|1,0,1]=4 177 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [1,1,0,0,0,0|0,0,2]=4 178 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [1,1,0,0,0,0|0,0,2]=4 179 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [1,1,0,0,0,0|0,0,2]=4 180 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [1,1,0,0,0,0|0,0,2]=4 181 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 F48669 [1,1,0,0,0,0|1,0,1]=4 182 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C64672 [1,1,0,0,0,0|1,0,1]=4 183 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 B62216 [1,1,0,0,0,0|0,0,0]=2 184 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 C6638 [1,1,0,0,0,0|0,0,0]=2 185 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 F68685 [1,1,0,0,0,0|0,0,0]=2 186 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H68558 [1,1,0,0,0,0|0,0,0]=2 187 B12R1.125 O=[N+]([O-])C=CC1=C(Cl)C=CC=C1 C47994 [1,1,0,0,0,0|1,0,1]=4 188 B12R1.125 O=[N+]([O-])\C=C\C1=C(Cl)C=CC=C1 C47995 [1,1,0,0,0,0|1,0,1]=4 189 B12R1.125 O=[N+]([O-])\C=C\C1=C(F)C=CC=C1 F61821 [1,1,0,0,0,0|1,0,1]=4 190 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [1,1,0,0,0,0|0,0,2]=4 191 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 T69043 [1,1,0,0,0,0|1,0,1]=4 192 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 M66326 [1,1,0,0,0,0|0,0,0]=2 193 B12R1.226 O=C(O)C=CC1=CC=CC(Cl)=C1 C39567 [1,1,0,0,0,0|0,0,0]=2 194 B12R1.226 O=C(O)C=CC1=CC=CC(I)=C1 K51272 [1,1,0,0,0,0|0,0,0]=2 195 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [1,1,0,0,0,0|0,0,2]=4 196 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B51889 [1,1,0,0,0,0|0,0,2]=4 197 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 C51921 [1,1,0,0,0,0|0,0,2]=4 198 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [1,1,0,0,0,0|0,0,2]=4 199 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 B63813 [1,1,0,0,0,0|1,0,1]=4 200 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 F48670 [1,1,0,0,0,0|1,0,1]=4 201 B12R1.226 O=[N+]([O-])C=CC1=CC=CC(F)=C1 F47997 [1,1,0,0,0,0|1,0,1]=4 202 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(F)=C1 F62637 [1,1,0,0,0,0|1,0,1]=4 203 B12R1.891 O=S(=O)(Cl)\C=C\C1=CC=CC=C1 P48606 [1,1,0,0,0,0|1,0,1]=4 204 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 M49114 [0,1,0,0,1,0|1,0,1]=4 205 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 M61037 [0,1,0,0,1,0|0,0,0]=2 206 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 M52118 [0,1,0,0,1,0|0,0,1]=3 207 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 M60693 [0,1,0,0,1,0|0,0,1]=3 208 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 M52797 [0,1,0,0,1,0|0,0,1]=3 209 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M68802 [0,1,0,0,1,0|0,0,1]=3 210 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M69157 [0,1,0,0,1,0|0,0,1]=3 211 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 M69044 [0,1,0,0,1,0|0,0,1]=3 212 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 M50046 [0,1,0,0,1,0|2,0,0]=4 213 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 H64154 [0,1,0,0,1,0|2,0,0]=4 214 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 M7569 [0,1,0,0,1,0|0,0,1]=3 215 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 M51915 [0,1,0,0,1,0|0,0,1]=3 216 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 M51939 [0,1,0,0,1,0|0,0,1]=3 217 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 M63040 [0,1,0,0,1,0|0,0,1]=3 218 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 M23468 [0,1,0,0,1,0|0,0,1]=3 219 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M67394 [0,1,0,0,1,0|0,0,1]=3 220 B12R1.49 COC(=O)CC1=CN=C(C)C=C1 M50074 [0,1,0,0,1,0|1,0,1]=4 221 B12R1.49 COC(=O)CC1=CN=C(Cl)C=C1 M25037 [0,1,0,0,1,0|1,0,1]=4 222 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 M10106 [0,1,0,0,1,0|1,0,1]=4 223 B12R1.50 COC(=O)CC1=CC(Br)=CN=C1 M37671 [0,1,0,0,1,0|1,0,1]=4 224 B12R1.50 COC(=O)CC1=CC(C)=CC=C1 M62750 [0,1,0,0,1,0|0,0,1]=3 225 B12R1.50 COC(=O)CC1=CC(Cl)=NC=C1 M62883 [0,1,0,0,1,0|1,0,1]=4 226 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M50058 [0,1,0,0,1,0|0,0,1]=3 227 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M52112 [0,1,0,0,1,0|0,0,1]=3 228 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 M49922 [0,1,0,0,1,0|0,0,1]=3 229 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 M51891 [0,1,0,0,1,0|0,0,1]=3 230 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 M51916 [0,1,0,0,1,0|0,0,1]=3 231 B12R1.50 COC(=O)CC1=CC=CC(Cl)=N1 M48959 [0,1,0,0,1,0|1,0,1]=4 232 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 M51938 [0,1,0,0,1,0|0,0,1]=3 233 B12R1.50 COC(=O)CC1=CN=CC(C)=C1 M29585 [0,1,0,0,1,0|1,0,1]=4 234 B12R1.50 COC(=O)CC1=NC=CC(C)=C1 M50073 [0,1,0,0,1,0|1,0,1]=4 235 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 M51890 [0,1,0,0,1,0|0,0,1]=3 236 B12R1.371 COC(=O)CC1=C(Br)C=CC=N1 M1596 [0,1,0,0,1,0|1,0,1]=4 237 B12R1.371 COC(=O)CC1=C(Br)C=NC=C1 M63870 [0,1,0,0,1,0|1,0,1]=4 238 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 M62751 [0,1,0,0,1,0|0,0,1]=3 239 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 C61032 [0,1,0,0,1,0|0,0,1]=3 240 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M50057 [0,1,0,0,1,0|0,0,1]=3 241 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M52111 [0,1,0,0,1,0|0,0,1]=3 242 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 M37939 [0,1,0,0,1,0|0,0,1]=3 243 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 M67182 [0,1,0,0,1,0|2,0,0]=4 244 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 M67740 [0,1,0,0,0,1|0,0,2]=4 245 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 E65599 [0,1,0,0,0,1|0,0,2]=4 246 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 E68308 [0,1,0,0,0,1|0,0,2]=4 247 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 E54787 [0,1,0,0,0,1|0,0,2]=4 248 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 E54861 [0,1,0,0,0,1|0,0,2]=4 249 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 M54573 [0,1,0,0,0,1|0,0,1]=3 250 B14R1.756 COC(=O)C(=O)C=CC1=CC=CC=C1 M54350 [0,1,0,0,0,1|0,0,0]=2 251 B14R1.756 COC(=O)[C@@H](C)OCC1=CC=CC=C1 M67097 [0,1,0,0,0,1|0,0,2]=4 252 B14R1.837 COC(=O)CCCC1=C(O)C=CC=C1 M54799 [0,1,0,0,0,1|0,0,2]=4 253 B14R1.10 COC(=O)CC(=O)C1=CC=C(Cl)C=C1 M62349 [0,2,0,0,0,0|0,0,1]=3 254 B14R1.10 COC(=O)CC(=O)C1=CC=C(F)C=C1 M54026 [0,2,0,0,0,0|0,0,1]=3 255 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Br)C=C1 M52758 [0,2,0,0,0,0|0,0,2]=4 256 B14R1.11 COC(=O)CC(=O)C1=CC(C)=CC=C1 M54574 [0,2,0,0,0,0|0,0,1]=3 257 B14R1.11 COC(=O)C[C@@H](N)C1=CC(O)=CC=C1 M54173 [0,2,0,0,0,0|0,0,2]=4 258 B14R1.11 COC(=O)C[C@@H](N)C1=CC=CC(Br)=C1 M52757 [0,2,0,0,0,0|0,0,2]=4 259 B14R1.29 CCOC(=O)C=C(C)C1=CC=CC=C1 E55917 [0,2,0,0,0,0|0,0,0]=2 260 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 E7874 [0,2,0,0,0,0|1,0,1]=4 261 B14R1.29 CCOC(=O)CC(=O)C1=CN=CC=C1 E13942 [0,2,0,0,0,0|1,0,1]=4 262 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=C1 E52593 [0,2,0,0,0,0|1,0,1]=4 263 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 E55507 [0,2,0,0,0,0|0,0,2]=4 264 B14R1.29 CCOC(=O)C[C@H](O)C1=CC=CC=C1 E54794 [0,2,0,0,0,0|0,0,2]=4 265 B14R1.85 COC(=O)[C@@H](O)[C@H](N)C1=CC=CC=C1 M11943 [0,2,0,0,0,0|0,0,2]=4 266 B14R1.85 COC(=O)[C@H](O)[C@H](N)C1=CC=CC=C1 M11942 [0,2,0,0,0,0|0,0,2]=4 267 B14R1.587 COC(=O)CC(=O)C1=C(Br)C=CC=C1 M54019 [0,2,0,0,0,0|0,0,1]=3 268 B14R1.5 CCC(=O)C=CC1=CC=C(OC)C=C1 M55919 [0,2,0,0,0,0|1,0,0]=3 269 B14R1.5 COC(=O)C=CC1=CC=C(CBr)C=C1 M54451 [0,2,0,0,0,0|0,0,0]=2 270 B14R1.5 COC(=O)COC1=CC=C(C#N)C=C1 M53955 [0,2,0,0,0,0|1,0,1]=4 271 B14R1.5 COC(=O)\C=C\C1=CC=C(C=O)C=C1 M54351 [0,2,0,0,0,0|0,0,0]=2 272 B14R1.134 COC(=O)[C@@H](C)OC1=CC=C(O)C=C1 M52859 [0,2,0,0,0,0|1,0,1]=4 273 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 M67781 [0,2,0,0,0,0|0,0,2]=4 274 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 M54134 [0,2,0,0,0,0|0,0,2]=4 275 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M54169 [0,2,0,0,0,0|0,0,2]=4 276 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 M67908 [0,2,0,0,0,0|0,0,2]=4 277 B14R1.502 CCOC(=O)C#CC1=CC=C(Cl)C=C1 E55405 [0,2,0,0,0,0|0,0,2]=4 278 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 E38388 [0,2,0,0,0,0|0,0,2]=4 279 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 E66576 [0,2,0,0,0,0|0,0,2]=4 280 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 E54678 [0,2,0,0,0,0|0,0,2]=4 281 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 E54798 [0,2,0,0,0,0|0,0,2]=4 282 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 E65342 [0,2,0,0,0,0|1,0,1]=4 283 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 E54450 [0,2,0,0,0,0|0,0,0]=2 284 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 E61841 [0,2,0,0,0,0|0,0,0]=2 285 B14R1.679 CN(C)C(=O)C=CC1=CC=C(F)C=C1 F54534 [0,2,0,0,0,0|1,0,0]=3 286 B14R1.727 COC(=O)CCC1=C(O)C=C(O)C=C1 M52858 [0,2,0,0,0,0|0,0,2]=4 287 B14R1.727 COC(=O)COC1=C(C)C=C(O)C=C1 M64320 [0,2,0,0,0,0|1,0,1]=4 288 B14R1.32 CCOC(=O)CCC1=CC(C)=CC=C1 E66327 [0,2,0,0,0,0|0,0,2]=4 289 B14R1.32 CCOC(=O)CNC1=CC=CC(Br)=C1 E52756 [0,2,0,0,0,0|1,0,1]=4 290 B14R1.135 COC(=O)[C@@H](N)CC1=CC(O)=CC=C1 M32208 [0,2,0,0,0,0|0,0,2]=4 291 B14R1.135 COC(=O)[C@@H](O)CC1=CC(O)=CC=C1 M52860 [0,2,0,0,0,0|0,0,2]=4 292 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 E68535 [0,2,0,0,0,0|0,0,2]=4 293 B14R1.156 C=CCOC(=O)C=CC1=CC=CC=C1 A39675 [0,2,0,0,0,0|0,0,0]=2 294 B14R1.598 CCOC(=O)CCC1=C(Br)C=CC=C1 E54669 [0,2,0,0,0,0|0,0,2]=4 295 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 E52853 [0,2,0,0,0,0|1,0,1]=4 296 B14R1.1031 COC(=O)C(C#N)=CC1=CC=CC=C1 M55362 [0,2,0,0,0,0|0,0,0]=2 297 B14R1.1107 COC(=O)[C@@](C)(N)CC1=CC=CC=C1 M55508 [0,2,0,0,0,0|0,0,2]=4 298 B14R1.3099 O=C(C=CC1=CC=CC=C1)C(F)(F)F T53624 [0,2,0,0,0,0|2,0,0]=4 299 B14R1.863 COC(=O)COC1=C(C=O)C=CC=C1 M52474 [0,2,0,0,0,0|1,0,1]=4 300 B12R1.77 C#CC1=C(C(=O)OC)C=CC=C1 M53793 [0,0,1,1,0,0|0,0,2]=4 301 B12R1.77 CNC1=C(C(=O)OC)C=CC=C1 M65720 [0,0,1,1,0,0|1,0,1]=4 302 B12R1.77 COC(=O)C1=C(C#N)C=CC=C1 M51164 [0,0,1,1,0,0|1,0,1]=4 303 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 M38609 [0,0,1,1,0,0|1,0,0]=3 304 B12R1.77 COC(=O)C1=C(CBr)C=CC=C1 M36627 [0,0,1,1,0,0|1,0,1]=4 305 B12R1.77 COC(=O)C1=C(CCl)C=CC=C1 M51917 [0,0,1,1,0,0|1,0,1]=4 306 B12R1.77 COC(=O)C1=NC=CC=C1C=O M48497 [0,0,1,1,0,0|2,0,0]=4 307 B12R1.354 COC(=O)C1=C(Br)C=CC(Br)=C1 M48115 [0,0,1,1,0,0|2,0,0]=4 308 B12R1.354 COC(=O)C1=C(Br)C=CC(C)=C1 M51894 [0,0,1,1,0,0|1,0,1]=4 309 B12R1.354 COC(=O)C1=C(Br)C=CC(Cl)=C1 M48121 [0,0,1,1,0,0|2,0,0]=4 310 B12R1.354 COC(=O)C1=C(Br)C=CC(F)=C1 M38514 [0,0,1,1,0,0|2,0,0]=4 311 B12R1.354 COC(=O)C1=C(Br)C=CC(I)=C1 M61242 [0,0,1,1,0,0|2,0,0]=4 312 B12R1.354 COC(=O)C1=C(Br)C=CC(N)=C1 M48913 [0,0,1,1,0,0|2,0,0]=4 313 B12R1.354 COC(=O)C1=C(C)C=CC(Br)=C1 M51902 [0,0,1,1,0,0|1,0,1]=4 314 B12R1.354 COC(=O)C1=C(C)C=CC(Cl)=C1 M51926 [0,0,1,1,0,0|1,0,1]=4 315 B12R1.354 COC(=O)C1=C(C)C=CC(F)=C1 M51944 [0,0,1,1,0,0|1,0,1]=4 316 B12R1.354 COC(=O)C1=C(C)C=CC(I)=C1 M51964 [0,0,1,1,0,0|1,0,1]=4 317 B12R1.354 COC(=O)C1=C(C)C=CC(N)=C1 M50062 [0,0,1,1,0,0|1,0,1]=4 318 B12R1.354 COC(=O)C1=C(C)C=CC(O)=C1 M25125 [0,0,1,1,0,0|1,0,1]=4 319 B12R1.354 COC(=O)C1=C(Cl)C=CC(Br)=C1 M22644 [0,0,1,1,0,0|2,0,0]=4 320 B12R1.354 COC(=O)C1=C(Cl)C=CC(Cl)=C1 M48160 [0,0,1,1,0,0|2,0,0]=4 321 B12R1.354 COC(=O)C1=C(Cl)C=CC(I)=C1 M48181 [0,0,1,1,0,0|2,0,0]=4 322 B12R1.354 COC(=O)C1=C(Cl)C=CC(N)=C1 M48943 [0,0,1,1,0,0|2,0,0]=4 323 B12R1.354 COC(=O)C1=C(Cl)C=CC(O)=C1 M48660 [0,0,1,1,0,0|2,0,0]=4 324 B12R1.354 COC(=O)C1=C(F)C=CC(Br)=C1 M48136 [0,0,1,1,0,0|2,0,0]=4 325 B12R1.354 COC(=O)C1=C(F)C=CC(C)=C1 M51941 [0,0,1,1,0,0|1,0,1]=4 326 B12R1.354 COC(=O)C1=C(F)C=CC(F)=C1 M48185 [0,0,1,1,0,0|2,0,0]=4 327 B12R1.354 COC(=O)C1=C(F)C=CC(N)=C1 M61209 [0,0,1,1,0,0|2,0,0]=4 328 B12R1.354 COC(=O)C1=C(F)C=CC(O)=C1 M48679 [0,0,1,1,0,0|2,0,0]=4 329 B12R1.354 COC(=O)C1=C(I)C=CC(Br)=C1 M48158 [0,0,1,1,0,0|2,0,0]=4 330 B12R1.354 COC(=O)C1=C(I)C=CC(C)=C1 M51959 [0,0,1,1,0,0|1,0,1]=4 331 B12R1.354 COC(=O)C1=C(I)C=CC(Cl)=C1 M48183 [0,0,1,1,0,0|2,0,0]=4 332 B12R1.354 COC(=O)C1=C(I)C=CC(F)=C1 M48206 [0,0,1,1,0,0|2,0,0]=4 333 B12R1.354 COC(=O)C1=C(N)C=CC(Br)=C1 M37819 [0,0,1,1,0,0|2,0,0]=4 334 B12R1.354 COC(=O)C1=C(N)C=CC(C)=C1 M50059 [0,0,1,1,0,0|1,0,1]=4 335 B12R1.354 COC(=O)C1=C(N)C=CC(Cl)=C1 M37847 [0,0,1,1,0,0|2,0,0]=4 336 B12R1.354 COC(=O)C1=C(N)C=CC(F)=C1 M48964 [0,0,1,1,0,0|2,0,0]=4 337 B12R1.354 COC(=O)C1=C(N)C=CC(N)=C1 M46665 [0,0,1,1,0,0|2,0,0]=4 338 B12R1.354 COC(=O)C1=C(N)C=CC(O)=C1 M67792 [0,0,1,1,0,0|2,0,0]=4 339 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 M67654 [0,0,1,1,0,0|2,0,0]=4 340 B12R1.354 COC(=O)C1=C(O)C=CC(Cl)=C1 M69648 [0,0,1,1,0,0|2,0,0]=4 341 B12R1.354 COC(=O)C1=C(O)C=CC(F)=C1 M48684 [0,0,1,1,0,0|2,0,0]=4 342 B12R1.354 COC(=O)C1=C(O)C=CC(O)=C1 M68556 [0,0,1,1,0,0|2,0,0]=4 343 B12R1.435 C#CC1=CC=CC(C(=O)OC)=C1 M37583 [0,0,1,1,0,0|0,0,2]=4 344 B12R1.435 COC(=O)C1=CC(C#N)=CC=C1 M51165 [0,0,1,1,0,0|1,0,1]=4 345 B12R1.435 COC(=O)C1=CC(C=O)=CC=C1 M51624 [0,0,1,1,0,0|1,0,0]=3 346 B12R1.435 COC(=O)C1=CC(C=O)=NC=C1 M48503 [0,0,1,1,0,0|2,0,0]=4 347 B12R1.435 COC(=O)C1=CC(CN)=CC=C1 M52109 [0,0,1,1,0,0|1,0,1]=4 348 B12R1.435 COC(=O)C1=CC(CO)=CC=C1 M63250 [0,0,1,1,0,0|1,0,1]=4 349 B12R1.435 COC(=O)C1=CC=CC(CBr)=C1 M51884 [0,0,1,1,0,0|1,0,1]=4 350 B12R1.435 COC(=O)C1=NC(C=O)=CC=C1 M48505 [0,0,1,1,0,0|2,0,0]=4 351 B12R2.1 COC1=NNC2=C1C=CC=C2 M15069 [1,0,0,1,0,0|2,0,0]=4 352 B12R2.2 C1=CC=C(C2=CC=CN2)C=C1 P38157 [1,0,0,1,0,0|2,0,0]=4 353 B12R2.2 C1=CC=C(C2=CC=CS2)C=C1 P53834 [1,0,0,1,0,0|2,0,0]=4 354 B12R2.2 C1=CC=C(C2=CC=NN2)C=C1 P22610 [1,0,0,1,0,0|2,0,0]=4 355 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 P51158 [1,0,0,1,0,0|1,0,1]=4 356 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 M53836 [1,0,0,1,0,0|2,0,0]=4 357 B12R2.1081 FC1=CC=CC2=CC=CC=C12 F60518 [1,0,0,1,0,0|2,0,0]=4 358 B12R2.1081 IC1=CC=CC2=CC=CC=C12 K53502 [1,0,0,1,0,0|2,0,0]=4 359 B12R2.1081 [Mg+]C1=CC=CC2=CC=CC=C12 N31714 [1,0,0,1,0,0|2,0,0]=4 360 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [1,0,0,1,0,0|0,0,2]=4 361 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 B39635 [1,0,0,1,0,0|1,0,1]=4 362 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 B1013 [1,0,0,1,0,0|2,0,0]=4 363 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M68883 [1,0,0,1,0,0|2,0,0]=4 364 B12R2.24 CC1=NC2=CC=CN=C2C=C1 M7647 [1,0,0,1,0,0|2,0,0]=4 365 B12R2.24 CC1=NC2=NC=CC=C2C=C1 M20466 [1,0,0,1,0,0|2,0,0]=4 366 B12R2.24 FC1=CC2=CC=CC=C2C=C1 F53501 [1,0,0,1,0,0|1,0,1]=4 367 B12R2.24 IC1=CC2=CC=CC=C2C=C1 I38722 [1,0,0,1,0,0|1,0,1]=4 368 B12R2.24 NC1=CC2=CC=CC=C2C=C1 N65553 [1,0,0,1,0,0|1,0,1]=4 369 B12R2.24 NC1=NC2=CC=CC=C2C=C1 Q9616 [1,0,0,1,0,0|2,0,0]=4 370 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 N37672 [1,0,0,1,0,0|2,0,0]=4 371 B12R2.24 O=C1C=CC2=CC=CNC2=N1 N0688 [1,0,0,1,0,0|2,0,0]=4 372 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [1,0,0,1,0,0|1,0,1]=4 373 B12R2.24 O=C1COC2=C(C=CC=C2)O1 B62111 [1,0,0,1,0,0|1,0,1]=4 374 B12R2.24 OC1=CC2=CC=CC=C2C=N1 H8153 [1,0,0,1,0,0|2,0,0]=4 375 B12R2.24 OC1=CC2=CC=CC=C2N=C1 H32203 [1,0,0,1,0,0|2,0,0]=4 376 B12R2.24 OC1=CC2=CC=NC=C2C=C1 H3875 [1,0,0,1,0,0|2,0,0]=4 377 B12R2.24 OC1=CC2=CN=CC=C2C=C1 Q3876 [1,0,0,1,0,0|2,0,0]=4 378 B12R2.24 OC1=CC2=NC=CC=C2C=C1 Q67940 [1,0,0,1,0,0|2,0,0]=4 379 B12R2.24 [Mg+]C1=CC2=CC=CC=C2C=C1 N31715 [1,0,0,1,0,0|1,0,1]=4 380 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 B62427 [1,0,0,1,0,0|1,0,1]=4 381 B12R2.44 COC1=CC2=C(C=C1)SC=C2 M51661 [0,0,0,1,1,0|2,0,0]=4 382 B12R2.44 COC1=CC2=C(C=CC2)C=C1 M52406 [0,0,0,1,1,0|1,0,1]=4 383 B12R2.44 COC1=CC2=C(C=CN2)C=C1 M2150 [0,0,0,1,1,0|2,0,0]=4 384 B12R2.44 COC1=CC2=C(C=CO2)C=C1 M51550 [0,0,0,1,1,0|2,0,0]=4 385 B12R2.44 COC1=CC2=C(C=CS2)C=C1 M26356 [0,0,0,1,1,0|2,0,0]=4 386 B12R2.44 COC1=NC2=C(C=C1)NC=C2 M12531 [0,0,0,1,1,0|2,0,0]=4 387 B12R2.44 COC1=NC2=C(C=CN2)C=C1 M9656 [0,0,0,1,1,0|2,0,0]=4 388 B12R2.18 CC1=CC2=C(C=CC=C2)N1C D26007 [0,0,0,1,1,0|2,0,0]=4 389 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 M48815 [0,0,0,1,1,0|2,0,0]=4 390 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 M38994 [0,0,0,1,1,0|2,0,0]=4 391 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 E52501 [0,0,0,1,1,0|2,0,0]=4 392 B14R2.19 O=C1C=C(SC2=CC=CC=C2)CO1 P5649 [0,0,0,1,0,1|0,0,0]=2 393 B14R2.19 O=C1C[C@H](CC2=CC=CC=C2)CO1 B54554 [0,0,0,1,0,1|0,0,2]=4 394 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B27980 [0,0,0,1,0,1|0,0,2]=4 395 B14R2.68 O=C1C=CC(C2=CC=CC=C2)=NN1 P53640 [0,0,0,1,0,1|2,0,0]=4 396 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 P19914 [0,0,0,1,0,1|0,0,2]=4 397 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 P54109 [0,0,0,1,0,1|0,0,2]=4 398 B14R2.95 COC(=O)C1=C2C=CC=CN2C=C1 M61670 [0,0,0,1,0,1|1,0,0]=3 399 B14R2.95 COC(=O)C1=C2C=CC=CN2N=C1 P5014 [0,0,0,1,0,1|1,0,0]=3 400 B14R2.95 COC(=O)C1=C2C=CC=NN2C=N1 M15412 [0,0,0,1,0,1|2,0,0]=4 401 B14R2.95 COC(=O)C1=CNC2=C1C=CC=C2 M26715 [0,0,0,1,0,1|0,0,0]=2 402 B14R2.95 COC(=O)C1=CNC2=C1C=CC=N2 M5241 [0,0,0,1,0,1|1,0,0]=3 403 B14R2.95 COC(=O)C1=CNC2=C1C=CN=C2 M37117 [0,0,0,1,0,1|1,0,0]=3 404 B14R2.95 COC(=O)C1=CNC2=C1C=NC=C2 M51399 [0,0,0,1,0,1|1,0,0]=3 405 B14R2.95 COC(=O)C1=CNC2=CC=CN=C21 M26864 [0,0,0,1,0,1|1,0,0]=3 406 B14R2.95 COC(=O)C1=NNC2=C1C=CC=C2 M1830 [0,0,0,1,0,1|1,0,0]=3 407 B14R2.95 COC(=O)C1=NNC2=C1C=CC=N2 P0120 [0,0,0,1,0,1|2,0,0]=4 408 B14R2.95 COC(=O)C1=NNC2=C1C=CN=C2 M12576 [0,0,0,1,0,1|2,0,0]=4 409 B14R2.95 COC(=O)C1=NNC2=C1C=NC=C2 M14272 [0,0,0,1,0,1|2,0,0]=4 410 B14R2.95 COC(=O)C1=NNC2=CC=CN=C21 M11261 [0,0,0,1,0,1|2,0,0]=4 411 B14R2.95 NNC(=O)C1=CNC2=C1C=CC=C2 K51712 [0,0,0,1,0,1|2,0,0]=4 412 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 P52557 [0,1,0,1,0,0|1,0,1]=4 413 B14R2.260 CN1N=C(C2=CC=CC=C2)C=C1Br B37647 [0,1,0,1,0,0|2,0,0]=4 414 B14R2.260 CN1N=C(C2=CC=CC=C2)CC1=O M62995 [0,1,0,1,0,0|1,0,1]=4 415 B14R2.1019 COC1=CC2=CC=CN=C2C(Cl)=C1 C61535 [0,1,0,1,0,0|2,0,0]=4 416 B14R2.1019 COC1=CC2=CC=CN=C2C(N)=C1 A38633 [0,1,0,1,0,0|2,0,0]=4 417 B14R2.1019 COC1=CC2=NC=CC=C2C(Br)=C1 B32298 [0,1,0,1,0,0|2,0,0]=4 418 B14R2.7724 CN1C(=O)NC(=O)C2=C1C=CC=C2 M51388 [0,1,0,1,0,0|2,0,0]=4 419 B14R2.134 COC1=CC2=CC(=O)NC=C2C=C1 M53928 [0,1,0,1,0,0|2,0,0]=4 420 B14R2.134 COC1=CC2=CC(C)=NC=C2C=C1 M37765 [0,1,0,1,0,0|2,0,0]=4 421 B14R2.134 COC1=CC2=CC(O)=CC=C2C=C1 M38755 [0,1,0,1,0,0|1,0,0]=3 422 B14R2.134 COC1=CC2=NC(C)=CC=C2C=C1 M54404 [0,1,0,1,0,0|2,0,0]=4 423 B14R2.134 COC1=CC=C2N=CC(Br)=CC2=C1 B37062 [0,1,0,1,0,0|2,0,0]=4 424 B14R2.134 COC1=CN=C2C=CC(Br)=CC2=C1 B37535 [0,1,0,1,0,0|2,0,0]=4 425 B14R2.134 COC1=CN=C2C=CC(Br)=CC2=N1 B51120 [0,1,0,1,0,0|2,0,0]=4 426 B14R2.134 COC1=NC2=CC(N)=CC=C2C=C1 M52287 [0,1,0,1,0,0|1,0,0]=3 427 B14R2.4513 CN1C(=O)C=CC2=C1C=C(Br)C=C2 B53779 [0,1,0,1,0,0|1,0,0]=3 428 B14R2.22 NC1=CC(C2=CC=CC(F)=C2)=NO1 F61644 [0,1,0,1,0,0|2,0,0]=4 429 B14R2.142 COC1=CC2=C(C=C1)NC=CC2=O M61612 [0,1,0,1,0,0|2,0,0]=4 430 B14R2.142 COC1=CC2=C(O)C=CC=C2C=C1 M54344 [0,1,0,1,0,0|1,0,0]=3 431 B14R2.142 COC1=CC2=C(O)C=CN=C2C=C1 M68998 [0,1,0,1,0,0|2,0,0]=4 432 B14R2.142 COC1=CC=C2N=CC=C(Br)C2=C1 B68727 [0,1,0,1,0,0|2,0,0]=4 433 B14R2.142 COC1=CC=C2N=CC=C(Br)C2=N1 B51122 [0,1,0,1,0,0|2,0,0]=4 434 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=C1 C53784 [0,1,0,1,0,0|2,0,0]=4 435 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=N1 C12670 [0,1,0,1,0,0|2,0,0]=4 436 B14R2.2332 CCC1=CC=C2C=C(O)C=CC2=C1 E38092 [0,1,0,1,0,0|2,0,0]=4 437 B14R2.2332 COC1=CC2=CC=C(C)N=C2C=C1 M54403 [0,1,0,1,0,0|2,0,0]=4 438 B14R2.2332 COC1=CC2=CC=C(O)C=C2C=C1 M54343 [0,1,0,1,0,0|1,0,0]=3 439 B14R2.2332 COC1=CC2=NC=C(N)C=C2C=C1 M52288 [0,1,0,1,0,0|2,0,0]=4 440 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 B68116 [0,1,0,1,0,0|1,0,0]=3 441 B14R2.2332 COC1=CC=C2N=C(Cl)C=CC2=C1 C19090 [0,1,0,1,0,0|2,0,0]=4 442 B14R2.30 O=C1OCC=C1SC2=CC=CC=C2 P5648 [0,1,0,1,0,0|1,0,0]=3 443 B14R2.112 CNCC1=CC2=CC=CC=C2C=C1 M55784 [0,1,0,1,0,0|2,0,0]=4 444 B14R2.112 OCCC1=NC2=CC=CC=C2C=C1 H54402 [0,1,0,1,0,0|2,0,0]=4 445 B14R2.203 COC1=C(Br)C=CC2=CC=CC=C21 B55421 [0,1,0,1,0,0|1,0,0]=3 446 B14R2.203 COC1=C(C)C=CC2=CC=CC=C21 M55760 [0,1,0,1,0,0|1,0,0]=3 447 B14R2.598 CN1N=C(Br)C=C1C2=CC=CC=C2 B53843 [0,1,0,1,0,0|2,0,0]=4 448 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 P53492 [0,1,0,1,0,0|0,0,1]=3 449 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 M17396 [0,1,0,1,0,0|0,0,0]=2 450 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 M53804 [0,1,0,1,0,0|0,0,0]=2 451 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)N1 M12534 [0,1,0,1,0,0|1,0,0]=3 452 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)S1 M13607 [0,1,0,1,0,0|1,0,0]=3 453 B14R2.972 COC(=O)C1=CC2=C(N=CC=C2)N1 M3314 [0,1,0,1,0,0|1,0,0]=3 454 B14R2.972 COC(=O)C1=CC2=C(N=CN=C2)N1 M14021 [0,1,0,1,0,0|2,0,0]=4 455 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)N1 M51395 [0,1,0,1,0,0|1,0,0]=3 456 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)O1 M51214 [0,1,0,1,0,0|1,0,0]=3 457 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 P3313 [0,1,0,1,0,0|1,0,0]=3 458 B14R2.972 COC(=O)C1=NN2C=CC=NC2=C1 M15179 [0,1,0,1,0,0|2,0,0]=4 459 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 M66075 [0,1,0,1,0,0|0,0,2]=4 460 B14R2.1128 COC1=NC2=CC=CC=C2N=C1Cl C51126 [0,1,0,1,0,0|2,0,0]=4 461 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 N64544 [0,1,0,1,0,0|2,0,0]=4 462 B14R2.781 C[C@@H](N)C1=CC2=CC=CC=C2C=C1 N23445 [0,1,0,1,0,0|2,0,0]=4 463 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 N22955 [0,1,0,1,0,0|2,0,0]=4 464 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 N55782 [0,1,0,1,0,0|2,0,0]=4 465 B14R2.92 COC1=C(Br)C2=CC=CC=C2C=C1 B55419 [0,1,0,1,0,0|1,0,0]=3 466 B14R2.92 COC1=C(Br)C2=NC=CC=C2C=C1 B28659 [0,1,0,1,0,0|2,0,0]=4 467 B14R2.92 COC1=C(Cl)C2=NC=CC=C2C=C1 C53786 [0,1,0,1,0,0|2,0,0]=4 468 B14R2.92 COC1=C([Mg+])C2=CC=CC=C2C=C1 M31719 [0,1,0,1,0,0|1,0,0]=3 469 B14R2.92 O=CC1=C(Br)C2=CC=CC=C2C=C1 B55211 [0,1,0,1,0,0|2,0,0]=4 470 B14R2.92 O=CC1=C(O)C2=CC=CC=C2C=C1 H62030 [0,1,0,1,0,0|2,0,0]=4 471 B14R2.256 NC1=CC(C2=C(O)C=CC=C2)=NO1 A51378 [0,1,0,1,0,0|2,0,0]=4 472 B14R2.1801 COC1=CC2=C(C=C1)C(=O)C=CO2 M53807 [0,1,0,1,0,0|2,0,0]=4 473 B14R2.1801 COC1=CC2=C(C=C1)C(=O)NC=C2 M53927 [0,1,0,1,0,0|2,0,0]=4 474 B14R2.1801 COC1=CC2=CC=CC(O)=C2C=C1 M54342 [0,1,0,1,0,0|1,0,0]=3 475 B14R2.1801 COC1=CC2=NC=CC(C)=C2C=C1 M55441 [0,1,0,1,0,0|2,0,0]=4 476 B14R2.1801 COC1=CC=C2C(Br)=CC=NC2=C1 B53774 [0,1,0,1,0,0|2,0,0]=4 477 B14R2.1801 COC1=CC=C2C(Cl)=CC=NC2=C1 C12196 [0,1,0,1,0,0|2,0,0]=4 478 B14R2.1801 COC1=CC=C2C([Mg+])=CC=CC2=C1 M31720 [0,1,0,1,0,0|1,0,0]=3 479 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [1,0,0,0,1,0|1,0,1]=4 480 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [1,0,0,0,1,0|1,0,1]=4 481 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [1,0,0,0,1,0|1,0,0]=3 482 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [1,0,0,0,1,0|2,0,0]=4 483 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [1,0,0,0,1,0|1,0,0]=3 484 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [1,0,0,0,1,0|1,0,1]=4 485 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [1,0,0,0,1,0|2,0,0]=4 486 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [1,0,0,0,1,0|1,0,1]=4 487 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [1,0,0,0,1,0|1,0,1]=4 488 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [1,0,0,0,1,0|1,0,1]=4 489 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [1,0,0,0,1,0|1,0,1]=4 490 B10R1.66 O=C(O)\C=C\C1=CC=CO1 F24145 [1,0,0,0,1,0|1,0,0]=3 491 B10R1.66 O=C(O)\C=C\C1=CC=CS1 T16653 [1,0,0,0,1,0|1,0,0]=3 492 B10R1.66 O=C(O)\C=C\C1=COC=C1 F4978 [1,0,0,0,1,0|1,0,0]=3 493 B10R1.66 O=C(O)\C=C\C1=CSC=C1 T61269 [1,0,0,0,1,0|1,0,0]=3 494 B10R1.27 COC(=O)CC1=CSC=C1 M12831 [0,0,0,0,2,0|1,0,1]=4 495 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [0,0,0,0,2,0|2,0,0]=4 496 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [0,0,0,0,2,0|2,0,0]=4 497 B10R1.15 COC(=O)C1=CC=NC=C1 M64933 [0,0,0,0,2,0|1,0,0]=3 498 B10R1.15 COC(=O)C1=CN=CN=C1 M10227 [0,0,0,0,2,0|2,0,0]=4 499 B10R1.15 COC(=O)C1=CN=NC=C1 M12256 [0,0,0,0,2,0|2,0,0]=4 500 B10R1.15 COC(=O)C1=NC=CC=C1 M28469 [0,0,0,0,2,0|1,0,0]=3 501 B10R1.15 COC(=O)C1=NC=CC=N1 M3445 [0,0,0,0,2,0|2,0,0]=4 502 B10R1.15 COC(=O)C1=NC=CN=C1 M2717 [0,0,0,0,2,0|2,0,0]=4 503 B10R1.15 COC(=O)C1=NC=NC=C1 P0159 [0,0,0,0,2,0|2,0,0]=4 504 B10R1.15 COC(=O)C1=NN=CC=C1 M0217 [0,0,0,0,2,0|2,0,0]=4 505 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [0,0,0,0,2,0|1,0,0]=3 506 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [0,0,0,0,2,0|2,0,0]=4 507 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [0,0,0,0,2,0|2,0,0]=4 508 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [0,0,0,0,2,0|2,0,0]=4 509 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 M54865 [0,0,0,0,0,2|0,0,2]=4 510 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 M54788 [0,0,0,0,0,2|0,0,2]=4