0 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.18 CC(=O)NC1=NC=CC=N1 P43093 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.18 FC(F)OC1=CC=CC=C1 D45605 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.18 N=C(N)NC1=CC=CC=C1 P49691 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.18 NC(=O)CC1=NC=CC=N1 P43092 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.18 NC(=O)NC1=NC=CN=C1 P41097 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.18 NC(=S)NC1=NC=CC=C1 P43125 [0,0,0,0,0,0|3,1,0]=4 16 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [0,0,0,0,0,0|1,0,0]=1 18 B10R1.18 O=C(O)CC1=CN=CN=C1 P12239 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.18 O=C(O)CC1=CN=NC=C1 P10225 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.18 O=C(O)CC1=NC=CC=N1 P0756 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.18 O=C(O)CC1=NC=CN=C1 P12241 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.18 O=C(O)CC1=NC=NC=C1 P12245 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.18 O=C(O)CC1=NN=CC=C1 P12243 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.18 O=C([O-])CC1=CN=NC=C1 P10226 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.18 O=C([O-])CC1=NC=CC=N1 P7450 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.18 O=C([O-])CC1=NN=CC=C1 P27036 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.18 S=C(Cl)OC1=CC=CC=C1 P37341 [0,0,0,0,0,0|2,1,0]=3 30 B9R1.8 BrCCC1=CC=NC=C1 B46088 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 CC#CC1=CC=CC=C1 P68608 [1,0,0,0,0,0|1,0,2]=4 32 B9R1.8 CCCC1=NC=CC=C1 P46859 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.8 CNCC1=CC=NC=C1 M43623 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.8 CNNC1=CC=CC=C1 M46459 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.8 COCC1=NC=CC=C1 M46377 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [1,0,0,0,0,0|1,0,1]=3 37 B9R1.8 IC#CC1=CC=CC=C1 I1886 [1,0,0,0,0,0|1,0,2]=4 38 B9R1.8 N#CCC1=CN=CC=C1 P38543 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 N#CCC1=NC=CC=C1 P45196 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.8 N#COC1=CC=CC=C1 P44923 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.8 NCCC1=CC=CN=C1 P43605 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.8 NCCC1=NC=CC=C1 P67673 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.8 NNCC1=CC=CC=C1 B6123 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 NNCC1=CC=CC=C1 B68081 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 NNCC1=CC=CN=C1 H0097 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.8 NNCC1=CC=CN=C1 H36962 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.8 NNCC1=CC=NC=C1 H0096 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.8 NNCC1=CC=NC=C1 H26285 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.8 NNCC1=NC=CC=C1 H0098 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.8 NOCC1=CC=CC=C1 B68114 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.8 O=C=NC1=NC=CC=C1 C64750 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.8 O=COC1=CC=CC=C1 P45508 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.8 OCCC1=CC=NC=C1 H46381 [1,0,0,0,0,0|1,0,1]=3 54 B9R1.8 OCCC1=CN=CC=C1 P46376 [1,0,0,0,0,0|1,0,1]=3 55 B9R1.8 OCCC1=NC=CN=C1 P24824 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.8 ONCC1=CC=CC=C1 B36744 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.8 ONCC1=CC=CC=C1 B46575 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.8 O\N=C\C1=CC=CC=C1 B61148 [1,0,0,0,0,0|1,0,1]=3 59 B9R1.8 S=C=NC1=CC=CC=C1 T64712 [1,0,0,0,0,0|1,1,1]=4 60 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [1,0,0,0,0,0|1,0,1]=3 62 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 B52021 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 C52036 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 F52043 [0,1,0,0,0,0|1,0,0]=2 65 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 H46009 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 B45690 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 H46008 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 A66708 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 A64153 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B52869 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 T37815 [0,1,0,0,0,0|0,0,0]=1 72 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 T46710 [0,1,0,0,0,0|2,1,0]=4 73 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 M49647 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.20 CC1=NC=C(CC(=O)O)C=C1 M61975 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.20 CN(C)CC1=CC=C(N)C=C1 D24687 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 F36778 [0,1,0,0,0,0|1,0,1]=3 77 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 C49035 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 C45699 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 B45688 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 C37226 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 F1233 [0,1,0,0,0,0|2,1,0]=4 82 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 A69139 [0,1,0,0,0,0|0,0,0]=1 83 B11R1.20 O=C(Cl)OC1=CC=C(F)C=C1 F44593 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B7856 [0,1,0,0,0,0|0,0,0]=1 85 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C68318 [0,1,0,0,0,0|0,0,0]=1 86 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 F67433 [0,1,0,0,0,0|0,0,0]=1 87 B11R1.20 O=C(O)CC1=CN=C(Cl)C=C1 C28734 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 B12779 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.20 O=C(O)CC1=NC=C(Br)C=N1 B8150 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 C15880 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.20 O=C(O)CC1=NC=C(Cl)C=N1 C26767 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 F15876 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 I27088 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A51548 [0,1,0,0,0,0|0,0,1]=2 95 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [0,1,0,0,0,0|1,0,1]=3 96 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [0,1,0,0,0,0|0,0,0]=1 100 B11R1.36 C[C@@H](O)[C@@H](N)C1=CC=CC=C1 A52178 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 A52176 [0,1,0,0,0,0|1,0,1]=3 102 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.36 C[C@H](O)[C@@H](N)C1=CC=CC=C1 A52179 [0,1,0,0,0,0|1,0,1]=3 104 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 A52177 [0,1,0,0,0,0|1,0,1]=3 105 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 A69457 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A69199 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 A68336 [0,1,0,0,0,0|0,0,0]=1 108 B11R1.36 N[C@@H](C(=O)O)C1=CCC=CC1 A46932 [0,1,0,0,0,0|0,0,2]=3 109 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 A69083 [0,1,0,0,0,0|0,0,0]=1 110 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [0,1,0,0,0,0|0,0,0]=1 111 B11R1.36 O=C(O)[C@H](Cl)C1=CC=CC=C1 C48589 [0,1,0,0,0,0|0,0,0]=1 112 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 P52407 [0,1,0,0,0,0|1,0,1]=3 113 B11R1.40 C=CC(=O)NC1=CC=CC=C1 P38034 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P32241 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.40 COC(=O)CC1=CC=NC=C1 M22906 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.40 COC(=O)CC1=CN=CC=C1 M12485 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.40 COC(=O)CC1=CN=NC=C1 M10235 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.40 COC(=O)CC1=NC=CC=C1 M12486 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.40 COC(=O)CC1=NC=CC=N1 M46001 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.40 COC(=O)CC1=NC=CN=C1 M12293 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.40 COC(=O)CC1=NC=NC=C1 M12914 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.40 COC(=O)CC1=NN=CC=C1 M10253 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [0,1,0,0,0,0|1,0,0]=2 125 B11R1.40 NNC(=O)CC1=CC=NC=C1 P9939 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [0,1,0,0,0,0|1,0,1]=3 129 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B49021 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B64861 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.40 O=C(CBr)OC1=CC=CC=C1 P48564 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C38641 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [0,1,0,0,0,0|1,0,1]=3 134 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [0,1,0,0,0,0|1,0,1]=3 135 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 B52020 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 C52039 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 F52044 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.86 CC(=O)NC1=C(I)C=NC=C1 K63586 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 A46655 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.86 CC(=O)NC1=NC=CC=C1O H46007 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 T69090 [0,1,0,0,0,0|0,0,0]=1 142 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 C49033 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.86 NC(=S)NC1=C(Br)C=CC=C1 B62940 [0,1,0,0,0,0|2,1,0]=4 144 B11R1.86 NC(=S)NC1=C(Cl)C=CC=C1 C39396 [0,1,0,0,0,0|2,1,0]=4 145 B11R1.86 NC1=C(CC(=O)O)C=CC=N1 A46006 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 B39490 [0,1,0,0,0,0|0,0,0]=1 147 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 B11292 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 F39494 [0,1,0,0,0,0|0,0,0]=1 149 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 K48630 [0,1,0,0,0,0|0,0,0]=1 150 B11R1.86 O=C(O)CC1=CC=CN=C1Cl C10465 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.86 O=C(O)CC1=NC=CC=C1O H10790 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.86 O=C(O)CC1=NC=CN=C1Cl C14611 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.86 O=C([O-])CC1=NC=CN=C1Cl S27650 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 B64129 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 C52040 [0,1,0,0,0,0|1,0,0]=2 156 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 F52045 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 C3776 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.157 CC(=O)NC1=CC=CC(Br)=N1 B45691 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 F2848 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.157 CC(=O)NC1=NC(N)=CC=C1 A46342 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 B45689 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.157 CC(=O)NC1=NC=CC(Cl)=C1 C45700 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 F48608 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 K48628 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 B52868 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 T49882 [0,1,0,0,0,0|0,0,0]=1 167 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 S49484 [0,1,0,0,0,0|1,0,1]=3 168 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 B50233 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.157 CN(C)CC1=CC=CC(O)=C1 D50353 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.157 N=C(N)NC1=CC=CC(Cl)=C1 C65282 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 A46654 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 C49034 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.157 O=C(O)CC1=CC(Br)=NC=C1 B38302 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.157 O=C(O)CC1=CC(Cl)=NC=C1 C62039 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 F8162 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 B67653 [0,1,0,0,0,0|0,0,0]=1 177 B11R1.157 O=C(O)CC1=CC=CC(Br)=N1 B45345 [0,1,0,0,0,0|1,0,0]=2 178 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 C68317 [0,1,0,0,0,0|0,0,0]=1 179 B11R1.157 O=C(O)CC1=CC=CC(Cl)=N1 C38947 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 F23088 [0,1,0,0,0,0|0,0,0]=1 181 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 F15877 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 K48631 [0,1,0,0,0,0|0,0,0]=1 183 B11R1.157 O=C(O)CC1=NC=CC(Br)=C1 B45344 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 C45371 [0,1,0,0,0,0|1,0,0]=2 185 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 P46415 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 B37400 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 M37460 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 T60768 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 T60838 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.509 F[B-](F)(F)CC1=CC=CC=C1 P43591 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 P38803 [0,1,0,0,0,0|1,0,1]=3 192 B11R1.509 O=P(Cl)(Cl)OC1=CC=CC=C1 P60785 [0,1,0,0,0,0|3,0,0]=4 193 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 P22144 [0,0,0,1,0,0|2,0,1]=4 194 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P24205 [0,0,0,1,0,0|2,0,1]=4 195 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 B51041 [0,0,0,1,0,0|2,0,0]=3 196 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 B47828 [0,0,0,1,0,0|1,0,1]=3 197 B11R2.10 BrC1=CC2=C(C=CC=C2)S1 B47534 [0,0,0,1,0,0|1,1,1]=4 198 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 B36657 [0,0,0,1,0,0|3,0,0]=4 199 B11R2.10 BrC1=NC2=C(C=CC=C2)S1 B44414 [0,0,0,1,0,0|2,1,0]=4 200 B11R2.10 BrC1CC2=C(C=CC=C2)C1 B51667 [0,0,0,1,0,0|2,0,1]=4 201 B11R2.10 CC1=CC2=C(C=CC=C2)C1 M38071 [0,0,0,1,0,0|2,0,0]=3 202 B11R2.10 CC1=CC2=C(C=CC=C2)N1 M13893 [0,0,0,1,0,0|2,0,1]=4 203 B11R2.10 CC1=CC2=C(C=CC=C2)S1 M51663 [0,0,0,1,0,0|1,1,1]=4 204 B11R2.10 CC1=NC2=C(C=CC=C2)O1 M63131 [0,0,0,1,0,0|2,0,0]=3 205 B11R2.10 CC1=NC2=C(C=CC=C2)S1 M39486 [0,0,0,1,0,0|2,1,0]=4 206 B11R2.10 CC1=NC2=C(C=CC=N2)O1 M38652 [0,0,0,1,0,0|3,0,0]=4 207 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M13896 [0,0,0,1,0,0|2,0,1]=4 208 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M15830 [0,0,0,1,0,0|2,0,1]=4 209 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 C47956 [0,0,0,1,0,0|2,0,1]=4 210 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 C39352 [0,0,0,1,0,0|3,0,0]=4 211 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 C44527 [0,0,0,1,0,0|2,0,0]=3 212 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 C39328 [0,0,0,1,0,0|2,1,0]=4 213 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C38306 [0,0,0,1,0,0|3,0,0]=4 214 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C41854 [0,0,0,1,0,0|3,0,0]=4 215 B11R2.10 IC1=CC2=C(C=CC=C2)N1 K47983 [0,0,0,1,0,0|2,0,1]=4 216 B11R2.10 IC1=NC2=C(C=CC=C2)S1 K44444 [0,0,0,1,0,0|2,1,0]=4 217 B11R2.10 NC1=CC2=C(C=CC=C2)S1 B39092 [0,0,0,1,0,0|1,1,1]=4 218 B11R2.10 NC1=NC2=C(C=CC=C2)N1 K64925 [0,0,0,1,0,0|3,0,0]=4 219 B11R2.10 NC1=NC2=C(C=CC=C2)O1 B45208 [0,0,0,1,0,0|2,0,0]=3 220 B11R2.10 NC1=NC2=C(C=CN=C2)O1 X42470 [0,0,0,1,0,0|3,0,0]=4 221 B11R2.10 NC1=NC2=C(C=NC=C2)O1 X42471 [0,0,0,1,0,0|3,0,0]=4 222 B11R2.10 O=C1C=C2C=CC=CN2N1 P45223 [0,0,0,1,0,0|2,0,1]=4 223 B11R2.10 O=C1CC2=C(C=CC=C2)C1 K24552 [0,0,0,1,0,0|1,0,0]=2 224 B11R2.10 O=C1CC2=C(C=CC=N2)N1 D0382 [0,0,0,1,0,0|2,0,0]=3 225 B11R2.10 O=C1CC2=C(C=CN=C2)N1 D0077 [0,0,0,1,0,0|2,0,0]=3 226 B11R2.10 O=C1CC2=C(C=NC=C2)N1 D0383 [0,0,0,1,0,0|2,0,0]=3 227 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D0034 [0,0,0,1,0,0|2,0,0]=3 228 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D15765 [0,0,0,1,0,0|2,0,0]=3 229 B11R2.10 O=C1CC2=C(N=CN=C2)N1 D10956 [0,0,0,1,0,0|3,0,0]=4 230 B11R2.10 O=C1CN2C=CC=CC2=N1 K46529 [0,0,0,1,0,0|2,0,0]=3 231 B11R2.10 O=C1NC2=C(C=CC=C2)N1 H67954 [0,0,0,1,0,0|2,0,0]=3 232 B11R2.10 O=C1NC2=C(C=CC=N2)O1 X39239 [0,0,0,1,0,0|2,0,0]=3 233 B11R2.10 O=C1NC2=C(C=CC=N2)S1 T42138 [0,0,0,1,0,0|2,1,0]=4 234 B11R2.10 O=C1NC2=C(C=NC=C2)N1 I38762 [0,0,0,1,0,0|3,0,0]=4 235 B11R2.10 O=C1NC2=C(N=CC=C2)N1 K42475 [0,0,0,1,0,0|3,0,0]=4 236 B11R2.10 O=C1OC2=C(C=CC=C2)O1 B44621 [0,0,0,1,0,0|1,0,0]=2 237 B11R2.10 OC1=CN2C=CC=CC2=N1 K45215 [0,0,0,1,0,0|2,0,1]=4 238 B11R2.10 OC1CC2=C(C=CC=C2)C1 D67665 [0,0,0,1,0,0|1,0,1]=3 239 B11R2.10 S=C1NC2=C(C=CC=C2)N1 B69662 [0,0,0,1,0,0|2,1,0]=4 240 B11R2.10 S=C1NC2=C(C=CC=C2)S1 B69039 [0,0,0,1,0,0|1,2,0]=4 241 B11R2.10 S=C1NC2=C(C=CC=N2)O1 X42139 [0,0,0,1,0,0|2,1,0]=4 242 B11R2.10 SC1=NC2=C(C=CC=N2)O1 X42137 [0,0,0,1,0,0|2,1,0]=4 243 B9R1.6 CC(=O)C1=CN=CN=C1 A7446 [0,0,0,0,1,0|3,0,0]=4 244 B9R1.6 CC(=O)C1=CN=NC=C1 A10222 [0,0,0,0,1,0|3,0,0]=4 245 B9R1.6 CC(=O)C1=NC=CC=N1 A8017 [0,0,0,0,1,0|3,0,0]=4 246 B9R1.6 CC(=O)C1=NC=CN=C1 A39262 [0,0,0,0,1,0|3,0,0]=4 247 B9R1.6 CC(=O)C1=NC=NC=C1 A12246 [0,0,0,0,1,0|3,0,0]=4 248 B9R1.6 CC(=O)C1=NN=CC=C1 P0157 [0,0,0,0,1,0|3,0,0]=4 249 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [0,0,0,0,1,0|2,0,1]=4 250 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [0,0,0,0,1,0|1,0,1]=3 251 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [0,0,0,0,1,0|2,0,1]=4 252 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [0,0,0,0,1,0|2,0,1]=4 253 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [0,0,0,0,1,0|2,0,1]=4 254 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [0,0,0,0,1,0|2,0,1]=4 255 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [0,0,0,0,1,0|1,0,1]=3 256 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [0,0,0,0,1,0|2,0,1]=4 257 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [0,0,0,0,1,0|2,0,1]=4 258 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [0,0,0,0,1,0|2,0,0]=3 259 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [0,0,0,0,1,0|3,0,0]=4 260 B9R1.6 N=C(N)C1=CC=CC=C1 B39428 [0,0,0,0,1,0|2,0,0]=3 261 B9R1.6 N=C(N)C1=CC=CN=C1 N43530 [0,0,0,0,1,0|3,0,0]=4 262 B9R1.6 N=C(N)C1=CC=NC=C1 N43531 [0,0,0,0,1,0|3,0,0]=4 263 B9R1.6 N=C(N)C1=NC=CC=C1 A3829 [0,0,0,0,1,0|3,0,0]=4 264 B9R1.6 N=C(N)C1=NC=CC=C1 P43087 [0,0,0,0,1,0|3,0,0]=4 265 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [0,0,0,0,1,0|1,0,0]=2 266 B9R1.6 NC(=O)C1=NC=CC=C1 P60877 [0,0,0,0,1,0|2,0,0]=3 267 B9R1.6 NC(=O)C1=NC=NC=C1 P40959 [0,0,0,0,1,0|3,0,0]=4 268 B9R1.6 O=C(Cl)C1=CC=NC=C1 N39246 [0,0,0,0,1,0|2,0,0]=3 269 B9R1.6 O=C(Cl)C1=CN=CN=C1 P0798 [0,0,0,0,1,0|3,0,0]=4 270 B9R1.6 O=C(Cl)C1=NC=CC=C1 P42299 [0,0,0,0,1,0|2,0,0]=3 271 B9R1.6 O=C(O)C1=CN=CN=C1 P2410 [0,0,0,0,1,0|2,0,0]=3 272 B9R1.6 O=C(O)C1=CN=NC=C1 P3453 [0,0,0,0,1,0|2,0,0]=3 273 B9R1.6 O=C(O)C1=NC=CC=C1 P62145 [0,0,0,0,1,0|1,0,0]=2 274 B9R1.6 O=C(O)C1=NC=CC=N1 P5589 [0,0,0,0,1,0|2,0,0]=3 275 B9R1.6 O=C(O)C1=NC=CN=C1 P2716 [0,0,0,0,1,0|2,0,0]=3 276 B9R1.6 O=C(O)C1=NC=NC=C1 P4579 [0,0,0,0,1,0|2,0,0]=3 277 B9R1.6 O=C(O)C1=NN=CC=C1 P3149 [0,0,0,0,1,0|2,0,0]=3 278 B9R1.6 O=[S@]([O-])C1=CC=CC=C1 S68689 [0,0,0,0,1,0|1,0,1]=3 279 B9R1.6 OB(O)C1=CC=NC=C1 P5100 [0,0,0,0,1,0|2,0,1]=4 280 B9R1.6 OB(O)C1=CN=CC=C1 P5080 [0,0,0,0,1,0|2,0,1]=4 281 B9R1.6 OB(O)C1=NC=CC=C1 P36680 [0,0,0,0,1,0|2,0,1]=4 282 B9R1.13 CC(=O)NC1=CSC=C1 T43173 [0,0,0,0,1,0|3,0,0]=4 283 B9R1.13 O=C(Cl)CC1=CC=CS1 T39261 [0,0,0,0,1,0|2,0,0]=3 284 B9R1.13 O=C(O)CC1=CC=CO1 F42944 [0,0,0,0,1,0|1,0,0]=2 285 B9R1.13 O=C(O)CC1=CC=CS1 T12816 [0,0,0,0,1,0|1,0,0]=2 286 B9R1.13 O=C(O)CC1=CSC=C1 T12830 [0,0,0,0,1,0|1,0,0]=2 287 B9R1.13 O=C(O)CC1=NC=CN1 I38240 [0,0,0,0,1,0|2,0,0]=3 288 B9R1.13 O=C(O)CC1=NC=CS1 T15370 [0,0,0,0,1,0|2,0,0]=3 289 B9R1.13 O=C(O)CC1=NC=NN1 H11339 [0,0,0,0,1,0|3,0,0]=4 290 B9R1.13 O=C(O)CC1=NNC=C1 P41346 [0,0,0,0,1,0|2,0,0]=3 291 B9R1.13 O=C(O)CN1C=CC=N1 P41032 [0,0,0,0,1,0|2,0,0]=3 292 B9R1.13 O=C(O)CN1C=CN=C1 K41347 [0,0,0,0,1,0|2,0,0]=3 293 B9R1.13 O=C(O)CN1C=CN=C1 K68355 [0,0,0,0,1,0|2,0,0]=3 294 B9R1.13 O=C(O)CN1C=CN=N1 T61261 [0,0,0,0,1,0|3,0,0]=4 295 B9R1.13 O=C(O)CN1C=NC=N1 T62390 [0,0,0,0,1,0|3,0,0]=4 296 B9R1.13 O=C(O)CN1N=CC=N1 T40138 [0,0,0,0,1,0|3,0,0]=4 297 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [0,0,0,0,0,1|2,0,0]=3 298 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [0,0,0,0,0,1|1,0,1]=3 299 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [0,0,0,0,0,1|1,0,0]=2 300 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [0,0,0,0,0,1|1,0,0]=2 301 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [0,0,0,0,0,1|1,0,1]=3 302 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [0,0,0,0,0,1|1,0,0]=2 303 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [0,0,0,0,0,1|0,0,1]=2 304 B11R1.91 O=C(O)C#CC1=CN=CC=C1 P47713 [0,0,0,0,0,1|1,0,1]=3 305 B11R1.91 O=C(O)C=CC1=CN=CC=C1 P48460 [0,0,0,0,0,1|1,0,1]=3 306 B11R1.91 O=C(O)C=CC1=NC=CC=C1 P48456 [0,0,0,0,0,1|1,0,1]=3 307 B11R1.91 O=C(O)CCC1=CN=NC=C1 P60455 [0,0,0,0,0,1|2,0,0]=3 308 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [0,0,0,0,0,1|1,0,0]=2 309 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [0,0,0,0,0,1|0,0,0]=1 310 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [0,0,0,0,0,1|1,0,0]=2 311 B11R1.91 O=C(O)COC1=CC=NC=C1 P45840 [0,0,0,0,0,1|1,0,0]=2 312 B11R1.91 O=C(O)COC1=CN=CC=C1 P45834 [0,0,0,0,0,1|1,0,0]=2 313 B11R1.91 O=C(O)CSC1=CC=NC=C1 P68840 [0,0,0,0,0,1|1,0,0]=2 314 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [0,0,0,0,0,1|0,0,1]=2 315 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P69501 [0,0,0,0,0,1|1,0,1]=3 316 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 P48463 [0,0,0,0,0,1|1,0,1]=3 317 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [0,0,0,0,0,1|1,0,1]=3 318 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [0,0,0,0,0,1|1,0,1]=3 319 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 P4986 [0,0,0,0,0,1|1,0,2]=4 320 B8R1.2 BrCC1=CC=NC=C1 B36897 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.2 BrCC1=CN=CC=C1 B23879 [2,0,0,0,0,0|2,0,0]=4 322 B8R1.2 BrCC1=NC=CC=C1 B42841 [2,0,0,0,0,0|2,0,0]=4 323 B8R1.2 ClCC1=CC=NC=C1 C68845 [2,0,0,0,0,0|2,0,0]=4 324 B8R1.2 ClCC1=NC=CC=C1 C67870 [2,0,0,0,0,0|2,0,0]=4 325 B8R1.2 NCC1=CC=CN=C1 A69257 [2,0,0,0,0,0|2,0,0]=4 326 B8R1.2 NCC1=CC=NC=C1 P67743 [2,0,0,0,0,0|2,0,0]=4 327 B8R1.2 NNC1=CC=CC=C1 P68696 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.2 NOC1=CC=CC=C1 P43533 [2,0,0,0,0,0|2,0,0]=4 329 B8R1.2 O=CC1=CC=NC=C1 P42598 [2,0,0,0,0,0|1,0,0]=3 330 B8R1.2 O=CC1=CN=CC=C1 P13753 [2,0,0,0,0,0|1,0,0]=3 331 B8R1.2 O=CC1=CN=CN=C1 F2817 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.2 O=CC1=CN=NC=C1 P7445 [2,0,0,0,0,0|2,0,0]=4 333 B8R1.2 O=CC1=NC=CC=C1 P67836 [2,0,0,0,0,0|1,0,0]=3 334 B8R1.2 O=CC1=NC=CC=N1 P0152 [2,0,0,0,0,0|2,0,0]=4 335 B8R1.2 O=CC1=NC=CN=C1 P0148 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.2 O=CC1=NC=NC=C1 P40755 [2,0,0,0,0,0|2,0,0]=4 337 B8R1.2 OCC1=CC=NC=C1 P43429 [2,0,0,0,0,0|1,0,0]=3 338 B8R1.2 OCC1=CC=NC=C1 P67894 [2,0,0,0,0,0|1,0,0]=3 339 B8R1.2 OCC1=CN=CC=C1 P15946 [2,0,0,0,0,0|1,0,0]=3 340 B8R1.2 OCC1=CN=CN=C1 P0145 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.2 OCC1=NC=CC=C1 P69303 [2,0,0,0,0,0|1,0,0]=3 342 B8R1.2 OCC1=NC=CC=N1 P0151 [2,0,0,0,0,0|2,0,0]=4 343 B8R1.2 OCC1=NC=CN=C1 P0147 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.2 OCC1=NC=NC=C1 P0160 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.2 OCC1=NN=CC=C1 P0155 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.2 ONC1=CC=CC=C1 P67873 [2,0,0,0,0,0|1,0,0]=3 347 B10R1.1 CC1=CC=C(CC#N)C=C1 M39574 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [1,1,0,0,0,0|0,0,1]=3 350 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.1 CC1=CC=C(CNN)C=C1 M49662 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.1 CC1=NC=C(CCO)C=C1 M15913 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.1 ClC1=CC=C(CCBr)C=C1 B48760 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.1 FC1=CC=C(CCBr)C=C1 B13769 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.1 FC1=CC=C(CC[Mg+])C=C1 F31725 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C69078 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.1 N#CCC1=CC=C(I)C=C1 K47988 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.1 N#CCC1=CC=C(N)C=C1 A67449 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.1 N#CCC1=CC=C(O)C=C1 H68900 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.1 NCCC1=CC=C(Cl)C=C1 C67656 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.1 NCCC1=CC=C(F)C=C1 F69101 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.1 NNCC1=CC=C(Br)C=C1 B0093 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.1 NNCC1=CC=C(Br)C=C1 B12215 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.1 NNCC1=CC=C(Cl)C=C1 C0094 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.1 NNCC1=CC=C(Cl)C=C1 C10206 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.1 NNCC1=CC=C(F)C=C1 F0090 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.1 NOCC1=CC=C(Cl)C=C1 C64524 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.1 NOCC1=CC=C(F)C=C1 F46562 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [1,1,0,0,0,0|0,0,0]=2 380 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [1,1,0,0,0,0|0,0,0]=2 381 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.1 OCCC1=CC=C(Br)C=C1 B36776 [1,1,0,0,0,0|0,0,1]=3 383 B10R1.1 OCCC1=CC=C(Cl)C=C1 C39522 [1,1,0,0,0,0|0,0,1]=3 384 B10R1.1 OCCC1=CC=C(F)C=C1 F49459 [1,1,0,0,0,0|0,0,1]=3 385 B10R1.1 OCCC1=CC=C(I)C=C1 K49469 [1,1,0,0,0,0|0,0,1]=3 386 B10R1.1 OCCC1=CN=C(Cl)C=C1 C37718 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.1 OCCC1=NC=C(Br)C=C1 B7705 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.1 ON=CC1=CC=C(O)C=C1 H45817 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.1 O\N=C\C1=CC=C(F)C=C1 F64667 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.1 [Mg+]CCC1=CC=C(Cl)C=C1 C31726 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.4 CC1=C(CC#N)C=CC=C1 T69238 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [1,1,0,0,0,0|0,0,1]=3 393 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.4 N#CCC1=C(Br)C=CC=C1 B69236 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.4 N#CCC1=C(Cl)C=CC=C1 C39466 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.4 N#CCC1=C(F)C=CC=C1 F68569 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.4 N#CCC1=C(I)C=CC=C1 K47987 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.4 N#CCC1=C(N)C=CC=C1 A48786 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [1,1,0,0,0,0|0,0,1]=3 404 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.4 NNCC1=C(Br)C=CC=C1 B10205 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.4 NNCC1=C(Br)C=CC=C1 B7428 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.4 NNCC1=C(Cl)C=CC=C1 C10207 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.4 NNCC1=C(F)C=CC=C1 F0092 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.4 NNCC1=C(F)C=CC=C1 F7427 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.4 NOCC1=C(F)C=CC=C1 F63413 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [1,1,0,0,0,0|0,0,1]=3 414 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [1,1,0,0,0,0|0,0,1]=3 415 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [1,1,0,0,0,0|0,0,1]=3 416 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [1,1,0,0,0,0|0,0,1]=3 417 B10R1.10 BrCCC1=CC=CC(Br)=C1 B23535 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.10 CC1=CC=CC(CC#N)=C1 M67706 [1,1,0,0,0,0|1,0,1]=4 419 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.10 CNCC1=CC(N)=CC=C1 M46965 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.10 CNCC1=CC=CC(Cl)=C1 C46754 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.10 ClC1=CC=CC(CCBr)=C1 C48759 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.10 N#CCC1=CC(N)=CC=C1 A48787 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.10 N#CCC1=CC=CC(Br)=C1 B23025 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C69079 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.10 N#CCC1=CC=CC(F)=C1 F39467 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.10 N#CCC1=CC=CC(O)=C1 H48451 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.10 NCCC1=CC=CC(Br)=C1 B46722 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.10 NCCC1=CC=CC(Br)=C1 B68552 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.10 NCCC1=CC=CC(Cl)=C1 C10742 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.10 NCCC1=CC=CC(F)=C1 F38570 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.10 NCCC1=CC=CC(F)=C1 F46762 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.10 NNCC1=CC=CC(Br)=C1 B12216 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.10 NNCC1=CC=CC(Cl)=C1 C12217 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.10 NNCC1=CC=CC(Cl)=C1 C46306 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.10 NNCC1=CC=CC(F)=C1 F0091 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.10 NNCC1=CC=CC(F)=C1 F10204 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.10 OCCC1=CC=CC(Br)=C1 B22812 [1,1,0,0,0,0|0,0,1]=3 441 B10R1.10 OCCC1=CC=CC(Br)=N1 B46160 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.10 OCCC1=CC=CC(Cl)=C1 C49444 [1,1,0,0,0,0|0,0,1]=3 443 B10R1.10 OCCC1=CC=CC(F)=C1 F49458 [1,1,0,0,0,0|0,0,1]=3 444 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 P68581 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.15 C=C[S@](=O)C1=CC=CC=C1 V62500 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [1,1,0,0,0,0|1,0,1]=4 455 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [1,1,0,0,0,0|0,0,1]=3 458 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [1,1,0,0,0,0|0,0,1]=3 459 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [1,1,0,0,0,0|0,0,1]=3 460 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [1,1,0,0,0,0|0,0,2]=4 461 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [1,1,0,0,0,0|0,0,1]=3 462 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [1,1,0,0,0,0|0,0,1]=3 463 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [1,1,0,0,0,0|0,0,1]=3 464 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.17 C=COCC1=CC=CC=C1 B26636 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.17 CCCOC1=CC=CC=C1 P50263 [1,1,0,0,0,0|1,0,1]=4 471 B10R1.17 CCNCC1=CC=CC=C1 B39547 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.17 CCOCC1=CC=CC=C1 E50267 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.17 NCCNC1=CC=CC=C1 P61733 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.17 NCCOC1=CC=CC=C1 P46889 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [1,1,0,0,0,0|0,0,1]=3 479 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [1,1,0,0,0,0|0,0,2]=4 480 B10R1.17 OCCCC1=CC=NC=C1 P46905 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.17 OCCCC1=NC=CC=C1 P62447 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.17 OCCCC1=NC=CC=C1 P7829 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.17 OCCSC1=NC=CC=C1 P46439 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 B9123 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [0,1,0,0,1,0|2,0,0]=4 487 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [0,1,0,0,1,0|2,0,0]=4 488 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [0,1,0,0,1,0|1,0,0]=3 489 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [0,1,0,0,1,0|1,0,0]=3 490 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [0,1,0,0,1,0|1,0,0]=3 491 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [0,1,0,0,1,0|1,0,0]=3 492 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [0,1,0,0,1,0|1,0,0]=3 493 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [0,1,0,0,1,0|1,0,0]=3 494 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B3106 [0,1,0,0,1,0|2,0,0]=4 495 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [0,1,0,0,1,0|2,0,0]=4 496 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 A24257 [0,1,0,0,1,0|2,0,0]=4 497 B10R1.13 CC(=O)C1=CN=C(F)C=C1 F45498 [0,1,0,0,1,0|2,0,0]=4 498 B10R1.13 CC(=O)C1=CN=C(N)C=C1 A22139 [0,1,0,0,1,0|2,0,0]=4 499 B10R1.13 CC(=O)C1=CNC(=O)C=C1 A67563 [0,1,0,0,1,0|2,0,0]=4 500 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 B22347 [0,1,0,0,1,0|2,0,0]=4 501 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [0,1,0,0,1,0|2,0,0]=4 502 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 C26822 [0,1,0,0,1,0|2,0,0]=4 503 B10R1.13 CC(=O)C1=NC=C(O)C=C1 H45820 [0,1,0,0,1,0|2,0,0]=4 504 B10R1.13 CC1=CC=C(B(O)O)C=C1 T5215 [0,1,0,0,1,0|1,0,1]=4 505 B10R1.13 CC1=CC=C(C(=N)N)C=C1 M38078 [0,1,0,0,1,0|2,0,0]=4 506 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [0,1,0,0,1,0|0,0,0]=2 507 B10R1.13 CC1=CC=C(C(N)=O)C=C1 M39514 [0,1,0,0,1,0|1,0,0]=3 508 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [0,1,0,0,1,0|1,0,1]=4 509 B10R1.13 CC1=CC=C([S@](=O)[O-])C=C1 S38423 [0,1,0,0,1,0|1,0,1]=4 510 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [0,1,0,0,1,0|2,0,0]=4 511 B10R1.13 CC1=CC=C([S@](N)=O)C=C1 M36646 [0,1,0,0,1,0|2,0,0]=4 512 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M23707 [0,1,0,0,1,0|1,0,0]=3 513 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M46550 [0,1,0,0,1,0|1,0,0]=3 514 B10R1.13 CC1=CN=C(C(=O)O)C=N1 M4677 [0,1,0,0,1,0|2,0,0]=4 515 B10R1.13 CC1=CN=C(C(=O)O)N=C1 M11475 [0,1,0,0,1,0|2,0,0]=4 516 B10R1.13 CC1=NC=C(C(=O)O)C=C1 M10933 [0,1,0,0,1,0|1,0,0]=3 517 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 B49428 [0,1,0,0,1,0|1,0,1]=4 518 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 C49454 [0,1,0,0,1,0|1,0,1]=4 519 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 F49461 [0,1,0,0,1,0|1,0,1]=4 520 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 B49431 [0,1,0,0,1,0|1,0,1]=4 521 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49442 [0,1,0,0,1,0|1,0,1]=4 522 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49449 [0,1,0,0,1,0|1,0,1]=4 523 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 F49463 [0,1,0,0,1,0|1,0,1]=4 524 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [0,1,0,0,1,0|1,0,1]=4 525 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [0,1,0,0,1,0|2,0,0]=4 526 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 B45615 [0,1,0,0,1,0|2,0,0]=4 527 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 B45619 [0,1,0,0,1,0|2,0,0]=4 528 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 C45622 [0,1,0,0,1,0|2,0,0]=4 529 B10R1.13 N=C(N)C1=CC=C(F)C=C1 F46534 [0,1,0,0,1,0|2,0,0]=4 530 B10R1.13 N=C(N)C1=CC=C(F)C=C1 F9396 [0,1,0,0,1,0|2,0,0]=4 531 B10R1.13 N=C(N)C1=CC=C(N)C=C1 A4675 [0,1,0,0,1,0|2,0,0]=4 532 B10R1.13 N=C(N)C1=CC=C(O)C=C1 H46554 [0,1,0,0,1,0|2,0,0]=4 533 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 B45467 [0,1,0,0,1,0|1,0,0]=3 534 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C45478 [0,1,0,0,1,0|1,0,0]=3 535 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A37818 [0,1,0,0,1,0|1,0,0]=3 536 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 B9626 [0,1,0,0,1,0|2,0,0]=4 537 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 C42457 [0,1,0,0,1,0|2,0,0]=4 538 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 B26330 [0,1,0,0,1,0|2,0,0]=4 539 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 C42456 [0,1,0,0,1,0|2,0,0]=4 540 B10R1.13 NC(=O)C1=NC=C(F)C=C1 F42460 [0,1,0,0,1,0|2,0,0]=4 541 B10R1.13 NC(=O)C1=NC=C(N)C=C1 A43096 [0,1,0,0,1,0|2,0,0]=4 542 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 C64929 [0,1,0,0,1,0|1,1,0]=4 543 B10R1.13 NC(=S)C1=CC=C(O)C=C1 H39401 [0,1,0,0,1,0|1,1,0]=4 544 B10R1.13 NC1=CC=C(B(O)O)C=C1 A1420 [0,1,0,0,1,0|1,0,1]=4 545 B10R1.13 NC1=CN=C(C(=O)O)C=C1 A1119 [0,1,0,0,1,0|1,0,0]=3 546 B10R1.13 NC1=CN=C(C(=O)O)C=N1 A14591 [0,1,0,0,1,0|2,0,0]=4 547 B10R1.13 NC1=CN=C(C(=O)O)N=C1 A12385 [0,1,0,0,1,0|2,0,0]=4 548 B10R1.13 NC1=NC=C(C(=O)O)C=C1 A4758 [0,1,0,0,1,0|1,0,0]=3 549 B10R1.13 NC1=NC=C(C(=O)O)C=N1 A23009 [0,1,0,0,1,0|2,0,0]=4 550 B10R1.13 NC1=NN=C(C(=O)O)C=C1 A7484 [0,1,0,0,1,0|2,0,0]=4 551 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 C42006 [0,1,0,0,1,0|2,0,0]=4 552 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C67273 [0,1,0,0,1,0|0,0,0]=2 553 B10R1.13 O=C(O)C1=CC=C(I)C=C1 K39365 [0,1,0,0,1,0|0,0,0]=2 554 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M69070 [0,1,0,0,1,0|0,0,0]=2 555 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 B4499 [0,1,0,0,1,0|1,0,0]=3 556 B10R1.13 O=C(O)C1=CN=C(Br)C=N1 B26010 [0,1,0,0,1,0|2,0,0]=4 557 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 C24114 [0,1,0,0,1,0|1,0,0]=3 558 B10R1.13 O=C(O)C1=CN=C(Cl)C=N1 C7535 [0,1,0,0,1,0|2,0,0]=4 559 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 C4912 [0,1,0,0,1,0|2,0,0]=4 560 B10R1.13 O=C(O)C1=CN=C(F)C=C1 F2849 [0,1,0,0,1,0|1,0,0]=3 561 B10R1.13 O=C(O)C1=CN=C(O)N=C1 H4911 [0,1,0,0,1,0|2,0,0]=4 562 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 B4511 [0,1,0,0,1,0|1,0,0]=3 563 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 B14043 [0,1,0,0,1,0|2,0,0]=4 564 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 C11476 [0,1,0,0,1,0|2,0,0]=4 565 B10R1.13 O=C(O)C1=NC=C(F)C=C1 F13767 [0,1,0,0,1,0|1,0,0]=3 566 B10R1.13 O=C(O)C1=NC=C(F)C=N1 F11482 [0,1,0,0,1,0|2,0,0]=4 567 B10R1.13 O=C(O)C1=NC=C(I)C=C1 I38885 [0,1,0,0,1,0|1,0,0]=3 568 B10R1.13 O=C(O)C1=NC=C(O)C=C1 H8151 [0,1,0,0,1,0|1,0,0]=3 569 B10R1.13 O=C(O)C1=NC=C(O)N=C1 H12388 [0,1,0,0,1,0|2,0,0]=4 570 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 B13479 [0,1,0,0,1,0|2,0,0]=4 571 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 C0263 [0,1,0,0,1,0|2,0,0]=4 572 B10R1.13 O=C(O)C1=NN=C(O)C=C1 H0266 [0,1,0,0,1,0|2,0,0]=4 573 B10R1.13 O=C(O)C1=NN=C(O)C=C1 H41345 [0,1,0,0,1,0|2,0,0]=4 574 B10R1.13 O=C1C=CC(C(=O)O)=CN1 H12738 [0,1,0,0,1,0|1,0,0]=3 575 B10R1.13 O=C1C=CC(C(=O)O)=CO1 C7780 [0,1,0,0,1,0|1,0,0]=3 576 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 F68090 [0,1,0,0,1,0|1,0,1]=4 577 B10R1.13 O=[S@](O)C1=CC=C(Br)C=C1 B42696 [0,1,0,0,1,0|1,0,0]=3 578 B10R1.13 O=[S@]([O-])C1=CC=C(F)C=C1 S42324 [0,1,0,0,1,0|1,0,1]=4 579 B10R1.13 OB(O)C1=CC=C(Br)C=C1 B1940 [0,1,0,0,1,0|1,0,1]=4 580 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 C2280 [0,1,0,0,1,0|1,0,1]=4 581 B10R1.13 OB(O)C1=CC=C(F)C=C1 F3380 [0,1,0,0,1,0|1,0,1]=4 582 B10R1.28 CC(C)(O)C1=CC=CC=C1 P24569 [0,1,0,0,1,0|1,0,1]=4 583 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 M39415 [0,1,0,0,1,0|1,0,1]=4 584 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 B69318 [0,1,0,0,1,0|1,0,1]=4 585 B10R1.28 O=S(=O)(O)C1=CN=CC=C1 P41001 [0,1,0,0,1,0|2,0,0]=4 586 B10R1.28 O=S(=O)(O)C1=NC=CC=C1 P41000 [0,1,0,0,1,0|2,0,0]=4 587 B10R1.61 C=C(C)C1=C(N)C=CC=C1 P49976 [0,1,0,0,1,0|2,0,0]=4 588 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 B48708 [0,1,0,0,1,0|1,0,0]=3 589 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 B45470 [0,1,0,0,1,0|2,0,0]=4 590 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 A10416 [0,1,0,0,1,0|2,0,0]=4 591 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [0,1,0,0,1,0|1,0,0]=3 592 B10R1.61 CC(=O)C1=C(C)N=CC=C1 M21788 [0,1,0,0,1,0|2,0,0]=4 593 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [0,1,0,0,1,0|1,0,0]=3 594 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 A11386 [0,1,0,0,1,0|2,0,0]=4 595 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 C16933 [0,1,0,0,1,0|2,0,0]=4 596 B10R1.61 CC(=O)C1=C(F)C=CC=C1 F69325 [0,1,0,0,1,0|1,0,0]=3 597 B10R1.61 CC(=O)C1=C(F)C=CC=N1 A12617 [0,1,0,0,1,0|2,0,0]=4 598 B10R1.61 CC(=O)C1=C(F)C=NC=C1 A12618 [0,1,0,0,1,0|2,0,0]=4 599 B10R1.61 CC(=O)C1=C(I)C=CC=C1 K48750 [0,1,0,0,1,0|1,0,0]=3 600 B10R1.61 CC(=O)C1=C(N)C=CC=C1 A49645 [0,1,0,0,1,0|1,0,0]=3 601 B10R1.61 CC(=O)C1=C(N)C=NC=C1 A45980 [0,1,0,0,1,0|2,0,0]=4 602 B10R1.61 CC(=O)C1=C(N)N=CC=C1 A45979 [0,1,0,0,1,0|2,0,0]=4 603 B10R1.61 CC(=O)C1=C(O)C=NC=C1 H45819 [0,1,0,0,1,0|2,0,0]=4 604 B10R1.61 CC(=O)C1=CC=CN=C1Br A13535 [0,1,0,0,1,0|2,0,0]=4 605 B10R1.61 CC(=O)C1=CC=CN=C1Cl A12691 [0,1,0,0,1,0|2,0,0]=4 606 B10R1.61 CC(=O)C1=CC=CN=C1F A45493 [0,1,0,0,1,0|2,0,0]=4 607 B10R1.61 CC(=O)C1=CC=CNC1=O A45815 [0,1,0,0,1,0|2,0,0]=4 608 B10R1.61 CC(=O)C1=CNC=CC1=O A45816 [0,1,0,0,1,0|2,0,0]=4 609 B10R1.61 CC(=O)C1=NC=CC=C1O H37046 [0,1,0,0,1,0|2,0,0]=4 610 B10R1.61 CC1=C(B(O)O)C=CC=C1 T5230 [0,1,0,0,1,0|1,0,1]=4 611 B10R1.61 CC1=C(C(=N)N)C=CC=C1 M49487 [0,1,0,0,1,0|2,0,0]=4 612 B10R1.61 CC1=C(C(=O)O)C=CC=C1 T69330 [0,1,0,0,1,0|0,0,0]=2 613 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M14576 [0,1,0,0,1,0|1,0,0]=3 614 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M45814 [0,1,0,0,1,0|1,0,0]=3 615 B10R1.61 CC1=C(C(=O)O)C=CN=C1 M14013 [0,1,0,0,1,0|1,0,0]=3 616 B10R1.61 CC1=C(C(=O)O)C=CN=N1 M14644 [0,1,0,0,1,0|2,0,0]=4 617 B10R1.61 CC1=C(C(=O)O)C=NC=C1 M4658 [0,1,0,0,1,0|1,0,0]=3 618 B10R1.61 CC1=C(C(=O)O)C=NC=N1 M42779 [0,1,0,0,1,0|2,0,0]=4 619 B10R1.61 CC1=C(C(=O)O)C=NN=C1 M7666 [0,1,0,0,1,0|2,0,0]=4 620 B10R1.61 CC1=C(C(N)=O)C=CC=N1 M45974 [0,1,0,0,1,0|2,0,0]=4 621 B10R1.61 CC1=C(C(N)=O)C=CN=C1 M45976 [0,1,0,0,1,0|2,0,0]=4 622 B10R1.61 CC1=C(C(N)=S)C=CC=C1 M69080 [0,1,0,0,1,0|1,1,0]=4 623 B10R1.61 CC1=CC=CN=C1C(=O)O M14577 [0,1,0,0,1,0|1,0,0]=3 624 B10R1.61 CC1=CC=CN=C1C(=O)O M62138 [0,1,0,0,1,0|1,0,0]=3 625 B10R1.61 CC1=CC=NN=C1C(=O)O M14534 [0,1,0,0,1,0|2,0,0]=4 626 B10R1.61 CC1=CN=CN=C1C(=O)O M42780 [0,1,0,0,1,0|2,0,0]=4 627 B10R1.61 CC1=NC=CN=C1C(=O)O M7738 [0,1,0,0,1,0|2,0,0]=4 628 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 B25268 [0,1,0,0,1,0|1,0,1]=4 629 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 C49446 [0,1,0,0,1,0|1,0,1]=4 630 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 F49460 [0,1,0,0,1,0|1,0,1]=4 631 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 B49429 [0,1,0,0,1,0|1,0,1]=4 632 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C49448 [0,1,0,0,1,0|1,0,1]=4 633 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C66089 [0,1,0,0,1,0|1,0,1]=4 634 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 F49462 [0,1,0,0,1,0|1,0,1]=4 635 B10R1.61 N=C(N)C1=C(F)C=CC=C1 F46532 [0,1,0,0,1,0|2,0,0]=4 636 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 B61279 [0,1,0,0,1,0|1,0,0]=3 637 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 B42449 [0,1,0,0,1,0|2,0,0]=4 638 B10R1.61 NC(=O)C1=C(Cl)C=CC=N1 C42454 [0,1,0,0,1,0|2,0,0]=4 639 B10R1.61 NC(=O)C1=C(Cl)C=CN=C1 C42455 [0,1,0,0,1,0|2,0,0]=4 640 B10R1.61 NC(=O)C1=C(I)C=CC=C1 K45507 [0,1,0,0,1,0|1,0,0]=3 641 B10R1.61 NC(=O)C1=C(N)C=CC=C1 A64967 [0,1,0,0,1,0|1,0,0]=3 642 B10R1.61 NC(=O)C1=C(N)C=CN=C1 A3037 [0,1,0,0,1,0|2,0,0]=4 643 B10R1.61 NC(=O)C1=C(N)C=NC=C1 A3921 [0,1,0,0,1,0|2,0,0]=4 644 B10R1.61 NC(=O)C1=C(N)N=CC=C1 A65610 [0,1,0,0,1,0|2,0,0]=4 645 B10R1.61 NC(=O)C1=C(O)C=NC=C1 H63051 [0,1,0,0,1,0|2,0,0]=4 646 B10R1.61 NC(=O)C1=NC=CC=C1N A15555 [0,1,0,0,1,0|2,0,0]=4 647 B10R1.61 NC1=C(B(O)O)C=CC=C1 A1340 [0,1,0,0,1,0|1,0,1]=4 648 B10R1.61 NC1=C(C(=O)O)C=CC=N1 A12487 [0,1,0,0,1,0|1,0,0]=3 649 B10R1.61 NC1=C(C(=O)O)C=CN=C1 A1102 [0,1,0,0,1,0|1,0,0]=3 650 B10R1.61 NC1=C(C(=O)O)C=CN=N1 A40968 [0,1,0,0,1,0|2,0,0]=4 651 B10R1.61 NC1=C(C(=O)O)C=NC=C1 A4739 [0,1,0,0,1,0|1,0,0]=3 652 B10R1.61 NC1=C(C(=O)O)C=NC=N1 A40969 [0,1,0,0,1,0|2,0,0]=4 653 B10R1.61 NC1=CC=CN=C1C(=O)O A0472 [0,1,0,0,1,0|1,0,0]=3 654 B10R1.61 NC1=CN=CN=C1C(=O)O A40970 [0,1,0,0,1,0|2,0,0]=4 655 B10R1.61 NC1=NC=CN=C1C(=O)O A69313 [0,1,0,0,1,0|2,0,0]=4 656 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 K44672 [0,1,0,0,1,0|1,0,0]=3 657 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 B31223 [0,1,0,0,1,0|1,0,0]=3 658 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 B1556 [0,1,0,0,1,0|1,0,0]=3 659 B10R1.61 O=C(O)C1=C(Br)C=NC=N1 B13992 [0,1,0,0,1,0|2,0,0]=4 660 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 C14305 [0,1,0,0,1,0|1,0,0]=3 661 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 C16032 [0,1,0,0,1,0|1,0,0]=3 662 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 C42250 [0,1,0,0,1,0|1,0,0]=3 663 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 C24697 [0,1,0,0,1,0|2,0,0]=4 664 B10R1.61 O=C(O)C1=C(F)C=CC=N1 F10405 [0,1,0,0,1,0|1,0,0]=3 665 B10R1.61 O=C(O)C1=C(F)C=CN=C1 F61354 [0,1,0,0,1,0|1,0,0]=3 666 B10R1.61 O=C(O)C1=C(F)C=NC=C1 F1912 [0,1,0,0,1,0|1,0,0]=3 667 B10R1.61 O=C(O)C1=C(F)C=NC=N1 F17530 [0,1,0,0,1,0|2,0,0]=4 668 B10R1.61 O=C(O)C1=C(I)C=CC=N1 K42258 [0,1,0,0,1,0|1,0,0]=3 669 B10R1.61 O=C(O)C1=C(O)C=NC=C1 H12635 [0,1,0,0,1,0|1,0,0]=3 670 B10R1.61 O=C(O)C1=CC=CN=C1Br B23274 [0,1,0,0,1,0|1,0,0]=3 671 B10R1.61 O=C(O)C1=CC=CN=C1Cl C22883 [0,1,0,0,1,0|1,0,0]=3 672 B10R1.61 O=C(O)C1=CC=CN=C1F F38458 [0,1,0,0,1,0|1,0,0]=3 673 B10R1.61 O=C(O)C1=CC=CNC1=S T69299 [0,1,0,0,1,0|1,0,0]=3 674 B10R1.61 O=C(O)C1=CC=NN=C1Cl C16077 [0,1,0,0,1,0|2,0,0]=4 675 B10R1.61 O=C(O)C1=CC=NNC1=O X40761 [0,1,0,0,1,0|2,0,0]=4 676 B10R1.61 O=C(O)C1=CN=CNC1=O X36907 [0,1,0,0,1,0|2,0,0]=4 677 B10R1.61 O=C(O)C1=CNC=CC1=O H67947 [0,1,0,0,1,0|1,0,0]=3 678 B10R1.61 O=C(O)C1=NC=CC=C1O H25980 [0,1,0,0,1,0|1,0,0]=3 679 B10R1.61 O=C(O)C1=NC=CN=C1Br B40577 [0,1,0,0,1,0|2,0,0]=4 680 B10R1.61 O=C(O)C1=NC=CN=C1Cl C10353 [0,1,0,0,1,0|2,0,0]=4 681 B10R1.61 O=C(O)C1=NC=CN=C1I K40592 [0,1,0,0,1,0|2,0,0]=4 682 B10R1.61 O=C(O)C1=NC=CNC1=O H1611 [0,1,0,0,1,0|2,0,0]=4 683 B10R1.61 O=[N+]([O-])C1=C(F)C=CC=C1 F68062 [0,1,0,0,1,0|1,0,1]=4 684 B10R1.61 OB(O)C1=C(Br)C=CC=C1 B42940 [0,1,0,0,1,0|1,0,1]=4 685 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 C2240 [0,1,0,0,1,0|1,0,1]=4 686 B10R1.61 OB(O)C1=C(F)C=CC=C1 F3340 [0,1,0,0,1,0|1,0,1]=4 687 B10R1.61 OB(O)C1=C(O)C=CC=C1 H3736 [0,1,0,0,1,0|1,0,1]=4 688 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 A12880 [0,1,0,0,1,0|2,0,0]=4 689 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 B39012 [0,1,0,0,1,0|2,0,0]=4 690 B10R1.113 CC(=O)C1=CC(C)=CC=C1 T39528 [0,1,0,0,1,0|1,0,0]=3 691 B10R1.113 CC(=O)C1=CC(C)=NC=C1 M49265 [0,1,0,0,1,0|2,0,0]=4 692 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 C0410 [0,1,0,0,1,0|2,0,0]=4 693 B10R1.113 CC(=O)C1=CC(F)=CN=C1 F45496 [0,1,0,0,1,0|2,0,0]=4 694 B10R1.113 CC(=O)C1=CC(N)=CC=C1 A68568 [0,1,0,0,1,0|1,0,0]=3 695 B10R1.113 CC(=O)C1=CC(O)=CC=C1 H60763 [0,1,0,0,1,0|1,0,0]=3 696 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 A45468 [0,1,0,0,1,0|2,0,0]=4 697 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 C69069 [0,1,0,0,1,0|1,0,0]=3 698 B10R1.113 CC(=O)C1=CC=CC(Cl)=N1 C45483 [0,1,0,0,1,0|2,0,0]=4 699 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F48736 [0,1,0,0,1,0|1,0,0]=3 700 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F45497 [0,1,0,0,1,0|2,0,0]=4 701 B10R1.113 CC(=O)C1=CC=CC(I)=C1 I37889 [0,1,0,0,1,0|1,0,0]=3 702 B10R1.113 CC(=O)C1=CN=CC(C)=C1 M63719 [0,1,0,0,1,0|2,0,0]=4 703 B10R1.113 CC(=O)C1=NC(C)=CC=C1 A49259 [0,1,0,0,1,0|2,0,0]=4 704 B10R1.113 CC(=O)C1=NC(N)=CC=C1 A37132 [0,1,0,0,1,0|2,0,0]=4 705 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 B45471 [0,1,0,0,1,0|2,0,0]=4 706 B10R1.113 CC(=O)C1=NC=CC(C)=C1 M4575 [0,1,0,0,1,0|2,0,0]=4 707 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 C61244 [0,1,0,0,1,0|2,0,0]=4 708 B10R1.113 CC1=CC(C(=O)O)=CN=C1 M10515 [0,1,0,0,1,0|1,0,0]=3 709 B10R1.113 CC1=CC(C(=O)O)=CN=N1 M16625 [0,1,0,0,1,0|2,0,0]=4 710 B10R1.113 CC1=CC(C(=O)O)=NC=C1 M38719 [0,1,0,0,1,0|1,0,0]=3 711 B10R1.113 CC1=CC(C(=O)O)=NC=N1 M14544 [0,1,0,0,1,0|2,0,0]=4 712 B10R1.113 CC1=CC(C(=O)O)=NN=C1 M17544 [0,1,0,0,1,0|2,0,0]=4 713 B10R1.113 CC1=CC=CC(B(O)O)=C1 T5210 [0,1,0,0,1,0|1,0,1]=4 714 B10R1.113 CC1=CC=CC(C(=N)N)=C1 M49488 [0,1,0,0,1,0|2,0,0]=4 715 B10R1.113 CC1=CC=CC(C(=O)O)=N1 M45823 [0,1,0,0,1,0|1,0,0]=3 716 B10R1.113 CC1=CC=NC(C(=O)O)=N1 M14425 [0,1,0,0,1,0|2,0,0]=4 717 B10R1.113 CC1=CN=CC(C(=O)O)=N1 M10680 [0,1,0,0,1,0|2,0,0]=4 718 B10R1.113 CC1=NC=CC(C(=O)O)=C1 M15805 [0,1,0,0,1,0|1,0,0]=3 719 B10R1.113 CC1=NC=CC(C(=O)O)=N1 M42778 [0,1,0,0,1,0|2,0,0]=4 720 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 C49447 [0,1,0,0,1,0|1,0,1]=4 721 B10R1.113 C[C@H](O)C1=CC(N)=CC=C1 A46893 [0,1,0,0,1,0|1,0,1]=4 722 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 B49430 [0,1,0,0,1,0|1,0,1]=4 723 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 B45618 [0,1,0,0,1,0|2,0,0]=4 724 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 C69433 [0,1,0,0,1,0|2,0,0]=4 725 B10R1.113 N=C(N)C1=CC=CC(F)=C1 F46533 [0,1,0,0,1,0|2,0,0]=4 726 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 B42448 [0,1,0,0,1,0|2,0,0]=4 727 B10R1.113 NC(=O)C1=CC(O)=CC=C1 H45813 [0,1,0,0,1,0|1,0,0]=3 728 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 B45466 [0,1,0,0,1,0|1,0,0]=3 729 B10R1.113 NC(=O)C1=CC=CC(F)=C1 F45492 [0,1,0,0,1,0|1,0,0]=3 730 B10R1.113 NC(=O)C1=CN=CC(N)=C1 A43095 [0,1,0,0,1,0|2,0,0]=4 731 B10R1.113 NC(=O)C1=NC(O)=CC=C1 H42772 [0,1,0,0,1,0|2,0,0]=4 732 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 B12089 [0,1,0,0,1,0|2,0,0]=4 733 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 H15729 [0,1,0,0,1,0|2,0,0]=4 734 B10R1.113 NC(=O)C1=NC=CC(N)=C1 A43091 [0,1,0,0,1,0|2,0,0]=4 735 B10R1.113 NC1=CC(C(=O)O)=CN=C1 A4566 [0,1,0,0,1,0|1,0,0]=3 736 B10R1.113 NC1=CC(C(=O)O)=NC=C1 A10317 [0,1,0,0,1,0|1,0,0]=3 737 B10R1.113 NC1=CC(C(=O)O)=NC=N1 A54071 [0,1,0,0,1,0|2,0,0]=4 738 B10R1.113 NC1=CC=CC(B(O)O)=C1 A1370 [0,1,0,0,1,0|1,0,1]=4 739 B10R1.113 NC1=CC=CC(B(O)O)=C1 A2231 [0,1,0,0,1,0|1,0,1]=4 740 B10R1.113 NC1=CC=CC(B(O)O)=C1 A31607 [0,1,0,0,1,0|1,0,1]=4 741 B10R1.113 NC1=CC=CC(B(O)O)=C1 A56559 [0,1,0,0,1,0|1,0,1]=4 742 B10R1.113 NC1=CC=CC(C(=O)O)=C1 A69286 [0,1,0,0,1,0|0,0,0]=2 743 B10R1.113 NC1=CC=CC(C(=O)O)=N1 A4798 [0,1,0,0,1,0|1,0,0]=3 744 B10R1.113 NC1=CC=CC([N+](=O)[O-])=C1 N43520 [0,1,0,0,1,0|1,0,1]=4 745 B10R1.113 NC1=CN=CC(C(=O)O)=N1 A40967 [0,1,0,0,1,0|2,0,0]=4 746 B10R1.113 NC1=NC=CC(C(=O)O)=C1 A3938 [0,1,0,0,1,0|1,0,0]=3 747 B10R1.113 NC1=NC=CC(C(=O)O)=N1 A3707 [0,1,0,0,1,0|2,0,0]=4 748 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=C1 C64820 [0,1,0,0,1,0|1,0,0]=3 749 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C42007 [0,1,0,0,1,0|2,0,0]=4 750 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 B69308 [0,1,0,0,1,0|1,0,0]=3 751 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 B2422 [0,1,0,0,1,0|1,0,0]=3 752 B10R1.113 O=C(O)C1=CC(Cl)=CN=C1 C10556 [0,1,0,0,1,0|1,0,0]=3 753 B10R1.113 O=C(O)C1=CC(Cl)=CN=N1 C40581 [0,1,0,0,1,0|2,0,0]=4 754 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 C12400 [0,1,0,0,1,0|1,0,0]=3 755 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 C10743 [0,1,0,0,1,0|2,0,0]=4 756 B10R1.113 O=C(O)C1=CC(Cl)=NN=C1 C11605 [0,1,0,0,1,0|2,0,0]=4 757 B10R1.113 O=C(O)C1=CC(F)=CN=C1 F12047 [0,1,0,0,1,0|1,0,0]=3 758 B10R1.113 O=C(O)C1=CC(F)=NC=C1 F42254 [0,1,0,0,1,0|1,0,0]=3 759 B10R1.113 O=C(O)C1=CC(O)=NC=C1 H3170 [0,1,0,0,1,0|1,0,0]=3 760 B10R1.113 O=C(O)C1=CC(O)=NC=C1 H38104 [0,1,0,0,1,0|1,0,0]=3 761 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 B39364 [0,1,0,0,1,0|0,0,0]=2 762 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 B4508 [0,1,0,0,1,0|1,0,0]=3 763 B10R1.113 O=C(O)C1=CC=CC(F)=C1 F68888 [0,1,0,0,1,0|0,0,0]=2 764 B10R1.113 O=C(O)C1=CC=CC(F)=N1 F3784 [0,1,0,0,1,0|1,0,0]=3 765 B10R1.113 O=C(O)C1=CC=CC(I)=C1 K68155 [0,1,0,0,1,0|0,0,0]=2 766 B10R1.113 O=C(O)C1=CC=NC(Br)=N1 B32155 [0,1,0,0,1,0|2,0,0]=4 767 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 C5854 [0,1,0,0,1,0|2,0,0]=4 768 B10R1.113 O=C(O)C1=CN=CC(Br)=N1 B32134 [0,1,0,0,1,0|2,0,0]=4 769 B10R1.113 O=C(O)C1=CN=CC(Cl)=N1 C0341 [0,1,0,0,1,0|2,0,0]=4 770 B10R1.113 O=C(O)C1=CN=CC(O)=C1 H4735 [0,1,0,0,1,0|1,0,0]=3 771 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 B7920 [0,1,0,0,1,0|1,0,0]=3 772 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 C24201 [0,1,0,0,1,0|1,0,0]=3 773 B10R1.113 O=C(O)C1=NC=CC(F)=C1 F42252 [0,1,0,0,1,0|1,0,0]=3 774 B10R1.113 O=C(O)C1=NC=CC(I)=C1 I3949 [0,1,0,0,1,0|1,0,0]=3 775 B10R1.113 O=C(O)C1=NC=CC(O)=C1 H9415 [0,1,0,0,1,0|1,0,0]=3 776 B10R1.113 O=C(O)C1=NC=NC(O)=C1 H3196 [0,1,0,0,1,0|2,0,0]=4 777 B10R1.113 O=C1C=C(C(=O)O)C=NN1 X69567 [0,1,0,0,1,0|2,0,0]=4 778 B10R1.113 O=C1C=NC=C(C(=O)O)N1 X40760 [0,1,0,0,1,0|2,0,0]=4 779 B10R1.113 O=C1N=CC=C(C(=O)O)N1 X60835 [0,1,0,0,1,0|2,0,0]=4 780 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 F42253 [0,1,0,0,1,0|1,0,1]=4 781 B10R1.113 OB(O)C1=CC=CC(Br)=C1 B1920 [0,1,0,0,1,0|1,0,1]=4 782 B10R1.113 OB(O)C1=CC=CC(Cl)=C1 C2260 [0,1,0,0,1,0|1,0,1]=4 783 B10R1.113 OB(O)C1=CC=CC(F)=C1 F3360 [0,1,0,0,1,0|1,0,1]=4 784 B10R1.113 OB(O)C1=CC=CC(I)=C1 K3840 [0,1,0,0,1,0|1,0,1]=4 785 B10R1.113 OB(O)C1=CC=CC(O)=C1 H3740 [0,1,0,0,1,0|1,0,1]=4 786 B10R1.23 C[C@@H](C(=O)O)N1C=CC=C1 P46407 [0,1,0,0,1,0|1,0,0]=3 787 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 A11151 [0,1,0,0,1,0|1,0,0]=3 788 B10R1.23 N[C@@H](C(=O)O)C1=CSC=C1 A43153 [0,1,0,0,1,0|1,0,0]=3 789 B10R1.23 N[C@H](C(=O)O)C1=CSC=C1 A43158 [0,1,0,0,1,0|1,0,0]=3 790 B10R1.23 O=C(O)C(=O)C1=CC=CO1 F68890 [0,1,0,0,1,0|1,0,1]=4 791 B10R1.27 COC(=O)CC1=CSC=C1 M12831 [0,1,0,0,1,0|1,0,0]=3 792 B10R1.54 CC1=CN(CC(=O)O)N=C1 M43224 [0,1,0,0,1,0|2,0,0]=4 793 B10R1.54 NC1=CC(CC(=O)O)=NN1 A5389 [0,1,0,0,1,0|2,0,0]=4 794 B10R1.54 NC1=CN(CC(=O)O)N=C1 A41351 [0,1,0,0,1,0|2,0,0]=4 795 B10R1.54 NC1=NC(CC(=O)O)=CS1 A39195 [0,1,0,0,1,0|2,0,0]=4 796 B10R1.54 NC1=NC=C(CC(=O)O)S1 A11834 [0,1,0,0,1,0|2,0,0]=4 797 B10R1.54 O=C(O)CC1=CSC(Br)=N1 B40833 [0,1,0,0,1,0|2,0,0]=4 798 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 C12127 [0,1,0,0,1,0|2,0,0]=4 799 B10R1.54 O=C(O)CC1=NC=C(Cl)S1 C11230 [0,1,0,0,1,0|2,0,0]=4 800 B10R1.54 O=C(O)CN1C=C(Br)C=N1 B40892 [0,1,0,0,1,0|2,0,0]=4 801 B10R1.54 O=C(O)CN1C=C(Cl)C=N1 C40901 [0,1,0,0,1,0|2,0,0]=4 802 B12R1.21 CC(=O)NNC1=CC=C(Br)C=C1 B49191 [0,1,0,0,0,1|2,0,0]=4 803 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 H64577 [0,1,0,0,0,1|1,0,1]=4 804 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 T52428 [0,1,0,0,0,1|0,0,1]=3 805 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 T39588 [0,1,0,0,0,1|0,0,1]=3 806 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [0,1,0,0,0,1|0,0,0]=2 807 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 A49317 [0,1,0,0,0,1|0,0,0]=2 808 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 A46681 [0,1,0,0,0,1|1,0,0]=3 809 B12R1.21 NC1=NC=C(\C=C\C(=O)O)C=C1 A48825 [0,1,0,0,0,1|1,0,1]=4 810 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 C50769 [0,1,0,0,0,1|0,0,1]=3 811 B12R1.21 O=C(O)C=CC1=CC=C(Br)C=C1 B39566 [0,1,0,0,0,1|0,0,1]=3 812 B12R1.21 O=C(O)C=CC1=CC=C(Cl)C=C1 C39568 [0,1,0,0,0,1|0,0,1]=3 813 B12R1.21 O=C(O)C=CC1=CN=C(Br)C=C1 B47990 [0,1,0,0,0,1|1,0,1]=4 814 B12R1.21 O=C(O)C=CC1=NC=C(F)C=C1 F38916 [0,1,0,0,0,1|1,0,1]=4 815 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [0,1,0,0,0,1|0,0,0]=2 816 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [0,1,0,0,0,1|0,0,0]=2 817 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [0,1,0,0,0,1|0,0,0]=2 818 B12R1.21 O=C(O)COC1=NC=C(Br)C=N1 B42434 [0,1,0,0,0,1|2,0,0]=4 819 B12R1.21 O=C(O)CSC1=NC=C(Br)C=N1 B42397 [0,1,0,0,0,1|2,0,0]=4 820 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 B52541 [0,1,0,0,0,1|1,0,0]=3 821 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B52417 [0,1,0,0,0,1|1,0,0]=3 822 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M53792 [0,1,0,0,0,1|0,0,1]=3 823 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [0,1,0,0,0,1|0,0,0]=2 824 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [0,1,0,0,0,1|0,0,0]=2 825 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [0,1,0,0,0,1|0,0,0]=2 826 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B53141 [0,1,0,0,0,1|1,0,1]=4 827 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B67328 [0,1,0,0,0,1|1,0,1]=4 828 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 B53085 [0,1,0,0,0,1|1,0,1]=4 829 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 B53140 [0,1,0,0,0,1|1,0,1]=4 830 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B67680 [0,1,0,0,0,1|1,0,0]=3 831 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B68841 [0,1,0,0,0,1|1,0,0]=3 832 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [0,1,0,0,0,1|1,0,0]=3 833 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 B68284 [0,1,0,0,0,1|1,0,0]=3 834 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [0,1,0,0,0,1|0,0,0]=2 835 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [0,1,0,0,0,1|0,0,0]=2 836 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [0,1,0,0,0,1|1,0,0]=3 837 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)Cl P51914 [0,1,0,0,0,1|1,0,0]=3 838 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [0,1,0,0,0,1|0,0,0]=2 839 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O M62826 [0,1,0,0,0,1|1,0,1]=4 840 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [0,1,0,0,0,1|1,0,0]=3 841 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [0,1,0,0,0,1|0,0,0]=2 842 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [0,1,0,0,0,1|0,0,0]=2 843 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49500 [0,1,0,0,0,1|1,0,0]=3 844 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49660 [0,1,0,0,0,1|1,0,0]=3 845 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O A49659 [0,1,0,0,0,1|1,0,0]=3 846 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A46684 [0,1,0,0,0,1|1,0,0]=3 847 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O A61463 [0,1,0,0,0,1|1,0,0]=3 848 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O A60776 [0,1,0,0,0,1|1,0,0]=3 849 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 B6285 [0,1,0,0,0,1|1,0,0]=3 850 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [0,1,0,0,0,1|0,0,0]=2 851 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [0,1,0,0,0,1|0,0,0]=2 852 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [0,1,0,0,0,1|0,0,0]=2 853 B12R1.43 O=C([O-])N(O)CC1=CC=CC=C1 B49301 [0,1,0,0,0,1|0,0,1]=3 854 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 P52545 [0,1,0,0,0,1|1,0,1]=4 855 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,1,0,0,0,1|1,0,0]=3 856 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [0,1,0,0,0,1|1,0,0]=3 857 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [0,1,0,0,0,1|1,0,0]=3 858 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [0,1,0,0,0,1|0,0,0]=2 859 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [0,1,0,0,0,1|0,0,0]=2 860 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 P65387 [0,1,0,0,0,1|1,0,0]=3 861 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 P65388 [0,1,0,0,0,1|1,0,0]=3 862 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [0,1,0,0,0,1|0,0,0]=2 863 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [0,1,0,0,0,1|0,0,0]=2 864 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [0,1,0,0,0,1|0,0,0]=2 865 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 A46676 [0,1,0,0,0,1|1,0,0]=3 866 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [0,1,0,0,0,1|0,0,0]=2 867 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [0,1,0,0,0,1|0,0,0]=2 868 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [0,1,0,0,0,1|0,0,0]=2 869 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [0,1,0,0,0,1|0,0,1]=3 870 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [0,1,0,0,0,1|1,0,0]=3 871 B12R1.125 CC1=C(C=CC(=O)O)C=CC=C1 M52420 [0,1,0,0,0,1|0,0,1]=3 872 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [0,1,0,0,0,1|0,0,0]=2 873 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 M62392 [0,1,0,0,0,1|0,0,0]=2 874 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [0,1,0,0,0,1|0,0,0]=2 875 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [0,1,0,0,0,1|0,0,0]=2 876 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [0,1,0,0,0,1|0,0,0]=2 877 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [0,1,0,0,0,1|0,0,0]=2 878 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 F48669 [0,1,0,0,0,1|0,0,0]=2 879 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C64672 [0,1,0,0,0,1|0,0,0]=2 880 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 B62216 [0,1,0,0,0,1|0,0,1]=3 881 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 C6638 [0,1,0,0,0,1|0,0,1]=3 882 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 F68685 [0,1,0,0,0,1|0,0,1]=3 883 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H68558 [0,1,0,0,0,1|0,0,1]=3 884 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [0,1,0,0,0,1|0,0,0]=2 885 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 T69043 [0,1,0,0,0,1|0,0,0]=2 886 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 M66326 [0,1,0,0,0,1|0,0,1]=3 887 B12R1.226 O=C(O)C=CC1=CC=CC(Cl)=C1 C39567 [0,1,0,0,0,1|0,0,1]=3 888 B12R1.226 O=C(O)C=CC1=CC=CC(I)=C1 K51272 [0,1,0,0,0,1|0,0,1]=3 889 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [0,1,0,0,0,1|0,0,0]=2 890 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B51889 [0,1,0,0,0,1|0,0,0]=2 891 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 C51921 [0,1,0,0,0,1|0,0,0]=2 892 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [0,1,0,0,0,1|0,0,0]=2 893 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 B63813 [0,1,0,0,0,1|0,0,0]=2 894 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 F48670 [0,1,0,0,0,1|0,0,0]=2 895 B12R1.891 NS(=O)(=O)NCC1=CC=CC=C1 S66770 [0,1,0,0,0,1|1,0,1]=4 896 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 P38151 [0,1,0,0,0,1|1,0,1]=4 897 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 A52418 [0,2,0,0,0,0|2,0,0]=4 898 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 C60964 [0,2,0,0,0,0|2,0,0]=4 899 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 F61966 [0,2,0,0,0,0|2,0,0]=4 900 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 A50169 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 A52132 [0,2,0,0,0,0|2,0,0]=4 902 B12R1.4 CC(=O)OC1=CC=C(CBr)C=C1 B51883 [0,2,0,0,0,0|2,0,0]=4 903 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 M37629 [0,2,0,0,0,0|0,0,0]=2 904 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 M39603 [0,2,0,0,0,0|1,0,0]=3 905 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 M50047 [0,2,0,0,0,0|1,0,0]=3 906 B12R1.4 COC1=CC=C(OC(=O)Cl)C=C1 M48659 [0,2,0,0,0,0|2,0,0]=4 907 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 M49906 [0,2,0,0,0,0|0,0,0]=2 908 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 C51175 [0,2,0,0,0,0|0,0,0]=2 909 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 A52120 [0,2,0,0,0,0|0,0,0]=2 910 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 B51900 [0,2,0,0,0,0|0,0,0]=2 911 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 H49932 [0,2,0,0,0,0|0,0,0]=2 912 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 F51626 [0,2,0,0,0,0|0,0,0]=2 913 B12R1.19 CC(=O)NC1=CC(Br)=C(F)C=C1 B48547 [0,2,0,0,0,0|2,0,0]=4 914 B12R1.19 CC(=O)NC1=CC(Cl)=C(C)C=C1 C65828 [0,2,0,0,0,0|2,0,0]=4 915 B12R1.19 CC(=O)NC1=CC(Cl)=C(O)C=C1 C48957 [0,2,0,0,0,0|2,0,0]=4 916 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 B51908 [0,2,0,0,0,0|0,0,0]=2 917 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 F51951 [0,2,0,0,0,0|0,0,0]=2 918 B12R1.19 CC1=C(N)C=CC(CC(=O)O)=C1 A50072 [0,2,0,0,0,0|0,0,0]=2 919 B12R1.19 CC1=CC(CC(=O)O)=NNC1=O M14969 [0,2,0,0,0,0|2,0,0]=4 920 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 A48971 [0,2,0,0,0,0|0,0,0]=2 921 B12R1.19 O=C(O)CC1=CC(Br)=C(Cl)C=C1 B38612 [0,2,0,0,0,0|0,0,0]=2 922 B12R1.19 O=C(O)CC1=CC(Br)=C(F)C=C1 B48138 [0,2,0,0,0,0|0,0,0]=2 923 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 D39472 [0,2,0,0,0,0|0,0,0]=2 924 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 C24991 [0,2,0,0,0,0|0,0,0]=2 925 B12R1.19 O=C(O)CC1=CC(F)=C(Br)C=C1 B48139 [0,2,0,0,0,0|0,0,0]=2 926 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 C48175 [0,2,0,0,0,0|0,0,0]=2 927 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 D68031 [0,2,0,0,0,0|0,0,0]=2 928 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 F67401 [0,2,0,0,0,0|0,0,0]=2 929 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 A50054 [0,2,0,0,0,0|0,0,0]=2 930 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 C51931 [0,2,0,0,0,0|0,0,0]=2 931 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(F)C=C1 F51933 [0,2,0,0,0,0|0,0,0]=2 932 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 H61953 [0,2,0,0,0,0|0,0,0]=2 933 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 A49658 [0,2,0,0,0,0|0,0,0]=2 934 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 A38631 [0,2,0,0,0,0|0,0,0]=2 935 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A48955 [0,2,0,0,0,0|0,0,0]=2 936 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A69609 [0,2,0,0,0,0|0,0,0]=2 937 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A49615 [0,2,0,0,0,0|0,0,0]=2 938 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A61587 [0,2,0,0,0,0|0,0,0]=2 939 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 A67693 [0,2,0,0,0,0|0,0,0]=2 940 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 A67722 [0,2,0,0,0,0|0,0,0]=2 941 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 A67501 [0,2,0,0,0,0|0,0,0]=2 942 B12R1.20 O=C(O)C(=O)C1=CC=C(Br)C=C1 B47800 [0,2,0,0,0,0|0,0,1]=3 943 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 C47803 [0,2,0,0,0,0|0,0,1]=3 944 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 F47808 [0,2,0,0,0,0|0,0,1]=3 945 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 C48668 [0,2,0,0,0,0|0,0,0]=2 946 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 C48176 [0,2,0,0,0,0|0,0,0]=2 947 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C48666 [0,2,0,0,0,0|0,0,0]=2 948 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C61967 [0,2,0,0,0,0|0,0,0]=2 949 B12R1.20 O=C(O)[C@H](O)C1=CC=C(F)C=C1 F61925 [0,2,0,0,0,0|0,0,0]=2 950 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H37553 [0,2,0,0,0,0|0,0,0]=2 951 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H49119 [0,2,0,0,0,0|0,0,0]=2 952 B12R1.20 O=C([O-])[C@H](O)C1=CC=C(O)C=C1 S49483 [0,2,0,0,0,0|0,0,1]=3 953 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 H64154 [0,2,0,0,0,0|2,0,0]=4 954 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 M7569 [0,2,0,0,0,0|0,0,0]=2 955 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 M51915 [0,2,0,0,0,0|0,0,0]=2 956 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 M51939 [0,2,0,0,0,0|0,0,0]=2 957 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 M63040 [0,2,0,0,0,0|0,0,0]=2 958 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 M23468 [0,2,0,0,0,0|0,0,0]=2 959 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M67394 [0,2,0,0,0,0|0,0,0]=2 960 B12R1.49 COC(=O)CC1=CN=C(C)C=C1 M50074 [0,2,0,0,0,0|1,0,0]=3 961 B12R1.49 COC(=O)CC1=CN=C(Cl)C=C1 M25037 [0,2,0,0,0,0|1,0,0]=3 962 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 M10106 [0,2,0,0,0,0|1,0,0]=3 963 B12R1.49 COC(=O)CC1=NC=C(Br)C=N1 M15235 [0,2,0,0,0,0|2,0,0]=4 964 B12R1.49 COC(=O)CC1=NC=C(F)C=N1 M45670 [0,2,0,0,0,0|2,0,0]=4 965 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 F49198 [0,2,0,0,0,0|1,0,0]=3 966 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 A52152 [0,2,0,0,0,0|1,0,1]=4 967 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 A69484 [0,2,0,0,0,0|1,0,1]=4 968 B12R1.49 O=C(CCl)NC1=CC=C(Br)C=C1 B62262 [0,2,0,0,0,0|2,0,0]=4 969 B12R1.106 CC(C)(O)CC1=CC=C(Cl)C=C1 C53019 [0,2,0,0,0,0|1,0,1]=4 970 B12R1.106 CC1=CC=C(CS(=O)(=O)Cl)C=C1 T49389 [0,2,0,0,0,0|1,0,1]=4 971 B12R1.106 O=S(=O)(Cl)CC1=CC=C(Br)C=C1 B45513 [0,2,0,0,0,0|1,0,1]=4 972 B12R1.233 CC(=O)CC1=C(Br)C=C(Cl)C=C1 B51652 [0,2,0,0,0,0|1,0,0]=3 973 B12R1.233 CC(=O)CC1=C(F)C=C(F)C=C1 D37777 [0,2,0,0,0,0|1,0,0]=3 974 B12R1.233 CC(=O)NC1=C(Cl)C=C(Br)C=C1 B48546 [0,2,0,0,0,0|2,0,0]=4 975 B12R1.233 CC(=O)NC1=C(F)C=C(C)C=C1 F49864 [0,2,0,0,0,0|2,0,0]=4 976 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 F51952 [0,2,0,0,0,0|0,0,0]=2 977 B12R1.233 CC1=CC(C)=C(CC(=O)O)C=C1 D52798 [0,2,0,0,0,0|0,0,0]=2 978 B12R1.233 CC1=CC(F)=C(CC(=O)O)C=C1 F51945 [0,2,0,0,0,0|0,0,0]=2 979 B12R1.233 C[C@H](O)CC1=C(F)C=C(F)C=C1 D37207 [0,2,0,0,0,0|1,0,1]=4 980 B12R1.233 O=C(O)CC1=C(Br)C=C(Br)C=C1 D48117 [0,2,0,0,0,0|0,0,0]=2 981 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 B48126 [0,2,0,0,0,0|0,0,0]=2 982 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 B48142 [0,2,0,0,0,0|0,0,0]=2 983 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 B48128 [0,2,0,0,0,0|0,0,0]=2 984 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 D68786 [0,2,0,0,0,0|0,0,0]=2 985 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 C48172 [0,2,0,0,0,0|0,0,0]=2 986 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 B48143 [0,2,0,0,0,0|0,0,0]=2 987 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 C48170 [0,2,0,0,0,0|0,0,0]=2 988 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 D69394 [0,2,0,0,0,0|0,0,0]=2 989 B12R1.233 O=C(O)CC1=C(F)C=C(O)C=C1 F48685 [0,2,0,0,0,0|0,0,0]=2 990 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 M61037 [0,2,0,0,0,0|0,0,1]=3 991 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 M52118 [0,2,0,0,0,0|0,0,0]=2 992 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 M60693 [0,2,0,0,0,0|0,0,0]=2 993 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 M52797 [0,2,0,0,0,0|0,0,0]=2 994 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M68802 [0,2,0,0,0,0|0,0,0]=2 995 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M69157 [0,2,0,0,0,0|0,0,0]=2 996 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 M69044 [0,2,0,0,0,0|0,0,0]=2 997 B12R1.124 C[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 C51918 [0,2,0,0,0,0|0,0,0]=2 998 B12R1.124 NC1=C(C(=O)C(=O)[O-])C=CC=C1 S49482 [0,2,0,0,0,0|0,0,2]=4 999 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 A49337 [0,2,0,0,0,0|0,0,0]=2 1000 B12R1.124 N[C@H](C(=O)O)C1=C(Cl)C=CC=C1 A39505 [0,2,0,0,0,0|0,0,0]=2 1001 B12R1.124 O=C(O)[C@@H](O)C1=C(Cl)C=CC=C1 C48667 [0,2,0,0,0,0|0,0,0]=2 1002 B12R1.124 O=C(O)[C@H](Br)C1=C(Cl)C=CC=C1 B39471 [0,2,0,0,0,0|0,0,0]=2 1003 B12R1.124 O=C(O)[C@H](O)C1=C(Cl)C=CC=C1 C67488 [0,2,0,0,0,0|0,0,0]=2 1004 B12R1.124 O=C(O)[C@H](O)C1=C(F)C=CC=C1 F61964 [0,2,0,0,0,0|0,0,0]=2 1005 B12R1.225 C[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 C51919 [0,2,0,0,0,0|0,0,0]=2 1006 B12R1.225 NC1=CC=CC([C@@H](N)C(=O)O)=C1 A46679 [0,2,0,0,0,0|0,0,0]=2 1007 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 A48925 [0,2,0,0,0,0|0,0,0]=2 1008 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 A48954 [0,2,0,0,0,0|0,0,0]=2 1009 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 A48962 [0,2,0,0,0,0|0,0,0]=2 1010 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(Cl)=C1 A48960 [0,2,0,0,0,0|0,0,0]=2 1011 B12R1.225 O=C(O)C(=O)C1=CC=CC(Br)=C1 B47799 [0,2,0,0,0,0|0,0,1]=3 1012 B12R1.225 O=C(O)C(=O)C1=CC=CC(F)=C1 F62229 [0,2,0,0,0,0|0,0,1]=3 1013 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 C64552 [0,2,0,0,0,0|0,0,0]=2 1014 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 C64588 [0,2,0,0,0,0|0,0,0]=2 1015 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(F)=C1 F48687 [0,2,0,0,0,0|0,0,0]=2 1016 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 M39605 [0,2,0,0,0,0|0,0,0]=2 1017 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 A50055 [0,2,0,0,0,0|0,0,0]=2 1018 B12R1.253 O=C(O)C(F)(F)C1=NC=CC=C1 D10426 [0,2,0,0,0,0|1,0,0]=3 1019 B12R1.478 CC(=O)[C@H](C#N)C1=NC=CC=C1 X51359 [0,2,0,0,0,0|2,0,0]=4 1020 B12R1.478 CC[C@@H](C(=O)Cl)C1=CC=CC=C1 P52669 [0,2,0,0,0,0|1,0,0]=3 1021 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 M68323 [0,2,0,0,0,0|0,0,0]=2 1022 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 M49926 [0,2,0,0,0,0|0,0,0]=2 1023 B12R1.478 N#C[C@@H](C(N)=O)C1=CC=CC=C1 C51349 [0,2,0,0,0,0|1,0,0]=3 1024 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [0,2,0,0,0,0|1,0,0]=3 1025 B12R1.32 CCOC(=O)CC1=CC=NC=C1 E50031 [0,2,0,0,0,0|1,0,0]=3 1026 B12R1.32 CCOC(=O)CC1=CN=CC=C1 E50053 [0,2,0,0,0,0|1,0,0]=3 1027 B12R1.32 CCOC(=O)CC1=NC=CC=C1 E22770 [0,2,0,0,0,0|1,0,0]=3 1028 B12R1.32 CCOC(=O)CC1=NC=CC=N1 E14448 [0,2,0,0,0,0|2,0,0]=4 1029 B12R1.32 CCOC(=O)CC1=NN=CC=C1 E18257 [0,2,0,0,0,0|2,0,0]=4 1030 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 E52267 [0,2,0,0,0,0|1,0,0]=3 1031 B12R1.32 CCOC(=O)NC1=CC=NC=C1 E60949 [0,2,0,0,0,0|2,0,0]=4 1032 B12R1.32 CN(CCO)CC1=CC=CC=C1 B39619 [0,2,0,0,0,0|2,0,0]=4 1033 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 C51350 [0,2,0,0,0,0|2,0,0]=4 1034 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 A20644 [0,2,0,0,0,0|2,0,0]=4 1035 B12R1.50 C=CC(=O)NC1=CC(O)=CC=C1 H51779 [0,2,0,0,0,0|2,0,0]=4 1036 B12R1.50 COC(=O)CC1=CC(Br)=CN=C1 M37671 [0,2,0,0,0,0|1,0,0]=3 1037 B12R1.50 COC(=O)CC1=CC(C)=CC=C1 M62750 [0,2,0,0,0,0|0,0,0]=2 1038 B12R1.50 COC(=O)CC1=CC(Cl)=NC=C1 M62883 [0,2,0,0,0,0|1,0,0]=3 1039 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M50058 [0,2,0,0,0,0|0,0,0]=2 1040 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M52112 [0,2,0,0,0,0|0,0,0]=2 1041 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 M49922 [0,2,0,0,0,0|0,0,0]=2 1042 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 M51891 [0,2,0,0,0,0|0,0,0]=2 1043 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 M51916 [0,2,0,0,0,0|0,0,0]=2 1044 B12R1.50 COC(=O)CC1=CC=CC(Cl)=N1 M48959 [0,2,0,0,0,0|1,0,0]=3 1045 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 M51938 [0,2,0,0,0,0|0,0,0]=2 1046 B12R1.50 COC(=O)CC1=CN=CC(C)=C1 M29585 [0,2,0,0,0,0|1,0,0]=3 1047 B12R1.50 COC(=O)CC1=NC=CC(C)=C1 M50073 [0,2,0,0,0,0|1,0,0]=3 1048 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 A50259 [0,2,0,0,0,0|1,0,1]=4 1049 B12R1.50 O=C(CCl)NC1=CC(F)=CC=C1 C64587 [0,2,0,0,0,0|2,0,0]=4 1050 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 M39108 [0,2,0,0,0,0|1,0,1]=4 1051 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 A53136 [0,2,0,0,0,0|1,0,1]=4 1052 B12R1.118 OCC(CO)CC1=CC=CC=C1 B66122 [0,2,0,0,0,0|0,0,2]=4 1053 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 M51890 [0,2,0,0,0,0|0,0,0]=2 1054 B12R1.371 COC(=O)CC1=C(Br)C=CC=N1 M1596 [0,2,0,0,0,0|1,0,0]=3 1055 B12R1.371 COC(=O)CC1=C(Br)C=NC=C1 M63870 [0,2,0,0,0,0|1,0,0]=3 1056 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 M62751 [0,2,0,0,0,0|0,0,0]=2 1057 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 C61032 [0,2,0,0,0,0|0,0,0]=2 1058 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M50057 [0,2,0,0,0,0|0,0,0]=2 1059 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M52111 [0,2,0,0,0,0|0,0,0]=2 1060 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 M37939 [0,2,0,0,0,0|0,0,0]=2 1061 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 M67182 [0,2,0,0,0,0|2,0,0]=4 1062 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 A50258 [0,2,0,0,0,0|1,0,1]=4 1063 B12R1.75 CC(=O)OC1=C(CBr)C=CC=C1 B51880 [0,2,0,0,0,0|2,0,0]=4 1064 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 M64892 [0,2,0,0,0,0|0,0,0]=2 1065 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 M69051 [0,2,0,0,0,0|1,0,0]=3 1066 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 M66295 [0,2,0,0,0,0|1,0,0]=3 1067 B12R1.75 N#CC1=C(CC(=O)O)C=CC=C1 C37989 [0,2,0,0,0,0|0,0,0]=2 1068 B12R1.75 NCC1=C(CC(=O)O)C=CC=C1 A69642 [0,2,0,0,0,0|0,0,0]=2 1069 B12R1.75 O=C(O)CC1=C(CCl)C=CC=C1 C51930 [0,2,0,0,0,0|0,0,0]=2 1070 B12R1.75 O=CC1=C(CC(=O)O)C=CC=C1 F66585 [0,2,0,0,0,0|0,0,0]=2 1071 B12R1.127 CC(=O)NC1=C(C)C=CC(F)=C1 A49862 [0,2,0,0,0,0|2,0,0]=4 1072 B12R1.127 CC(=O)NC1=C(I)C=CC(F)=C1 F48552 [0,2,0,0,0,0|2,0,0]=4 1073 B12R1.127 CC1=C(CC(=O)O)C=C(Br)C=C1 B51909 [0,2,0,0,0,0|0,0,0]=2 1074 B12R1.127 CC1=CC(CC(=O)O)=C(C)C=C1 D39606 [0,2,0,0,0,0|0,0,0]=2 1075 B12R1.127 NC1=CC(CC(=O)O)=C(F)C=C1 A48972 [0,2,0,0,0,0|0,0,0]=2 1076 B12R1.127 O=C(O)CC1=C(Br)C=CC(Br)=C1 D22214 [0,2,0,0,0,0|0,0,0]=2 1077 B12R1.127 O=C(O)CC1=C(Br)C=CC(Cl)=C1 B48127 [0,2,0,0,0,0|0,0,0]=2 1078 B12R1.127 O=C(O)CC1=C(Br)C=CC(F)=C1 B48137 [0,2,0,0,0,0|0,0,0]=2 1079 B12R1.127 O=C(O)CC1=C(Cl)C=CC(Br)=C1 B37983 [0,2,0,0,0,0|0,0,0]=2 1080 B12R1.127 O=C(O)CC1=C(Cl)C=CC(Cl)=C1 D48161 [0,2,0,0,0,0|0,0,0]=2 1081 B12R1.127 O=C(O)CC1=C(Cl)C=CC(F)=C1 C48169 [0,2,0,0,0,0|0,0,0]=2 1082 B12R1.127 O=C(O)CC1=C(F)C=CC(Br)=C1 B48140 [0,2,0,0,0,0|0,0,0]=2 1083 B12R1.127 O=C(O)CC1=C(F)C=CC(Cl)=C1 C38017 [0,2,0,0,0,0|0,0,0]=2 1084 B12R1.127 O=C(O)CC1=C(I)C=CC(Br)=C1 B67200 [0,2,0,0,0,0|0,0,0]=2 1085 B12R1.127 O=C(O)CC1=C(O)C=CC(Br)=C1 B48648 [0,2,0,0,0,0|0,0,0]=2 1086 B12R1.151 CS(=O)(=O)CC1=C(Br)C=CC=C1 B49383 [0,2,0,0,0,0|1,0,1]=4 1087 B12R1.224 CC1=C(F)C=CC=C1CC(=O)O F51950 [0,2,0,0,0,0|0,0,0]=2 1088 B12R1.224 CC1=CC=CC(CC(=O)O)=C1C D52800 [0,2,0,0,0,0|0,0,0]=2 1089 B12R1.224 O=C(O)CC1=CC=CC(Br)=C1F B37054 [0,2,0,0,0,0|0,0,0]=2 1090 B12R1.224 O=C(O)CC1=CC=CC(Cl)=C1F C48173 [0,2,0,0,0,0|0,0,0]=2 1091 B12R1.224 O=C(O)CC1=CC=CC(F)=C1Br B48141 [0,2,0,0,0,0|0,0,0]=2 1092 B12R1.224 O=C(O)CC1=CC=CC(F)=C1Cl C48171 [0,2,0,0,0,0|0,0,0]=2 1093 B12R1.224 O=C(O)CC1=CC=CC(F)=C1F D48190 [0,2,0,0,0,0|0,0,0]=2 1094 B12R1.1009 CC1=CC=CC(C)=C1CC(=O)O D52807 [0,2,0,0,0,0|0,0,0]=2 1095 B12R1.1009 O=C(O)CC1=C(Br)C=CC=C1Br D48118 [0,2,0,0,0,0|0,0,0]=2 1096 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1Cl D68787 [0,2,0,0,0,0|0,0,0]=2 1097 B12R1.1009 O=C(O)CC1=C(Cl)C=NC=C1Cl D63179 [0,2,0,0,0,0|1,0,0]=3 1098 B12R1.1009 O=C(O)CC1=C(Cl)N=CN=C1Cl D64591 [0,2,0,0,0,0|2,0,0]=4 1099 B12R1.101 CC1=CC(C)=CC(CC(=O)O)=C1 D68844 [0,2,0,0,0,0|0,0,0]=2 1100 B12R1.101 O=C(O)CC1=CC(Br)=CC(Br)=C1 D48119 [0,2,0,0,0,0|0,0,0]=2 1101 B12R1.101 O=C(O)CC1=CC(Cl)=CC(Cl)=C1 D38607 [0,2,0,0,0,0|0,0,0]=2 1102 B12R1.101 O=C(O)CC1=CC(Cl)=CC(F)=C1 C48174 [0,2,0,0,0,0|0,0,0]=2 1103 B12R1.101 O=C(O)CC1=CC(F)=CC(F)=C1 D48186 [0,2,0,0,0,0|0,0,0]=2 1104 B12R1.438 CC(=O)CC1=CC(C#N)=CC=C1 X65528 [0,2,0,0,0,0|1,0,0]=3 1105 B12R1.438 CC(=O)NC1=CC(CN)=CC=C1 A64547 [0,2,0,0,0,0|2,0,0]=4 1106 B12R1.438 CC(=O)OC1=CC(C=O)=CC=C1 F51622 [0,2,0,0,0,0|2,0,0]=4 1107 B12R1.438 CC(=O)OC1=CC=CC(CBr)=C1 B51881 [0,2,0,0,0,0|2,0,0]=4 1108 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 M68843 [0,2,0,0,0,0|0,0,0]=2 1109 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 M52801 [0,2,0,0,0,0|1,0,0]=3 1110 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 A65096 [0,2,0,0,0,0|2,0,0]=4 1111 B12R1.438 COC1=NC=CC(CC(=O)O)=C1 M49335 [0,2,0,0,0,0|1,0,0]=3 1112 B12R1.438 N#CC1=CC=CC(CC(=O)O)=C1 C51174 [0,2,0,0,0,0|0,0,0]=2 1113 B12R1.438 N#CC1=NC=CC(CC(=O)O)=C1 C39125 [0,2,0,0,0,0|1,0,0]=3 1114 B12R1.438 O=CC1=CC=CC(CC(=O)O)=C1 F51625 [0,2,0,0,0,0|0,0,0]=2 1115 B10R1.66 O=C(O)CCC1=CC=CN1 P46404 [0,0,1,1,0,0|1,0,1]=4 1116 B10R1.66 O=C(O)CCC1=CC=CO1 F46252 [0,0,1,1,0,0|1,0,1]=4 1117 B10R1.66 O=C(O)CCC1=CC=CS1 T46244 [0,0,1,1,0,0|1,0,1]=4 1118 B10R1.66 O=C(O)\C=C\C1=CC=CO1 F24145 [0,0,1,1,0,0|1,0,1]=4 1119 B10R1.66 O=C(O)\C=C\C1=CC=CS1 T16653 [0,0,1,1,0,0|1,0,1]=4 1120 B10R1.66 O=C(O)\C=C\C1=COC=C1 F4978 [0,0,1,1,0,0|1,0,1]=4 1121 B10R1.66 O=C(O)\C=C\C1=CSC=C1 T61269 [0,0,1,1,0,0|1,0,1]=4 1122 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P68601 [1,0,0,1,0,0|0,0,1]=3 1123 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P68362 [1,0,0,1,0,0|0,0,1]=3 1124 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [1,0,0,1,0,0|2,0,0]=4 1125 B10R2.7 C1=CC2=C(C=C1)NC=N2 B69282 [1,0,0,1,0,0|2,0,0]=4 1126 B10R2.7 C1=CC2=C(C=C1)OC=N2 B39360 [1,0,0,1,0,0|1,0,0]=3 1127 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [1,0,0,1,0,0|0,0,1]=3 1128 B10R2.7 C1=CC2=C(C=C1)OCO2 B69389 [1,0,0,1,0,0|1,0,1]=4 1129 B10R2.7 C1=CC2=C(C=C1)SC=N2 B68567 [1,0,0,1,0,0|1,1,0]=4 1130 B10R2.7 C1=CC2=C(C=CO2)N=C1 F10431 [1,0,0,1,0,0|1,0,1]=4 1131 B10R2.7 C1=CC2=C(C=N1)N=CO2 X42084 [1,0,0,1,0,0|2,0,0]=4 1132 B10R2.7 C1=CC2=C(C=N1)OC=C2 F3036 [1,0,0,1,0,0|1,0,1]=4 1133 B10R2.7 C1=CC2=C(N=C1)N=CO2 X42083 [1,0,0,1,0,0|2,0,0]=4 1134 B10R2.7 C1=CN=C2OC=NC2=C1 X42085 [1,0,0,1,0,0|2,0,0]=4 1135 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 B68954 [1,0,0,1,0,0|1,0,1]=4 1136 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [1,0,0,1,0,0|0,0,0]=2 1137 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [0,0,0,1,0,1|1,0,0]=3 1138 B12R2.22 OC1CN(C2=CC=CC=C2)C1 H14395 [0,0,0,1,0,1|1,0,1]=4 1139 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [0,0,0,1,0,1|1,0,0]=3 1140 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [0,0,0,1,0,1|1,0,0]=3 1141 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 D13325 [0,0,0,1,0,1|2,0,0]=4 1142 B12R2.24 O=C1CCC2=CC=CN=C2N1 D0689 [0,0,0,1,0,1|2,0,0]=4 1143 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [0,0,0,1,0,1|1,0,0]=3 1144 B12R2.24 O=C1COC2=C(C=CC=C2)O1 B62111 [0,0,0,1,0,1|0,0,0]=2 1145 B12R2.24 O=C1COC2=C(C=CC=N2)N1 P61000 [0,0,0,1,0,1|2,0,0]=4 1146 B12R2.24 O=C1COC2=CC=CN=C2N1 P38148 [0,0,0,1,0,1|2,0,0]=4 1147 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 D48807 [0,0,0,1,0,1|1,0,0]=3 1148 B12R2.24 OC1=CC2=CC=CC=C2C=N1 H8153 [0,0,0,1,0,1|1,0,1]=4 1149 B12R2.24 OC1=CC2=CC=CC=C2N=C1 H32203 [0,0,0,1,0,1|1,0,1]=4 1150 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 T60427 [0,0,0,1,0,1|1,0,1]=4 1151 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [0,0,0,1,0,1|1,0,1]=4 1152 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 G49884 [0,0,0,1,0,1|1,0,1]=4 1153 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 M63165 [0,1,0,1,0,0|1,0,1]=4 1154 B12R2.606 CC1=CC2=C(C=C1)CC(=O)N2 M24288 [0,1,0,1,0,0|1,0,0]=3 1155 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 M51752 [0,1,0,1,0,0|1,0,0]=3 1156 B12R2.606 CC1=CC2=C(C=C1)NC(=O)N2 M48816 [0,1,0,1,0,0|2,0,0]=4 1157 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 M48557 [0,1,0,1,0,0|1,1,0]=4 1158 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 D51756 [0,1,0,1,0,0|2,0,0]=4 1159 B12R2.606 CC1=CC2=C(C=C1)OC(N)=N2 M48797 [0,1,0,1,0,0|2,0,0]=4 1160 B12R2.606 CC1=NC2=C(C=C(Br)C=C2)O1 B48073 [0,1,0,1,0,0|2,0,0]=4 1161 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 C48089 [0,1,0,1,0,0|2,0,0]=4 1162 B12R2.606 CC1=NC2=C(C=C(N)C=C2)O1 M48804 [0,1,0,1,0,0|2,0,0]=4 1163 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 B38129 [0,1,0,1,0,0|2,0,0]=4 1164 B12R2.606 CC1=NC2=C(C=CC(F)=C2)O1 F48105 [0,1,0,1,0,0|2,0,0]=4 1165 B12R2.606 CC1=NC2=C(C=CC(N)=C2)O1 M61203 [0,1,0,1,0,0|2,0,0]=4 1166 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 M38254 [0,1,0,1,0,0|2,0,0]=4 1167 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)O2 D44181 [0,1,0,1,0,0|2,0,0]=4 1168 B12R2.606 ClC1=CC2=C(C=C1)OC(Cl)=N2 D13938 [0,1,0,1,0,0|2,0,0]=4 1169 B12R2.606 ClC1=NC2=C(C=CC(Br)=C2)O1 B37658 [0,1,0,1,0,0|2,0,0]=4 1170 B12R2.606 FC1=CC2=C(C=C1)OC(S)=N2 F44554 [0,1,0,1,0,0|1,1,0]=4 1171 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 A12202 [0,1,0,1,0,0|1,0,0]=3 1172 B12R2.606 NC1=CC2=C(C=C1)N=C(O)O2 A62037 [0,1,0,1,0,0|1,0,1]=4 1173 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 A0306 [0,1,0,1,0,0|1,0,0]=3 1174 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 A49612 [0,1,0,1,0,0|1,0,0]=3 1175 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 A69233 [0,1,0,1,0,0|2,0,0]=4 1176 B12R2.606 NC1=CC2=C(C=C1)NC(=O)S2 A45264 [0,1,0,1,0,0|1,1,0]=4 1177 B12R2.606 NC1=CC2=C(C=C1)OC(=O)C2 A48458 [0,1,0,1,0,0|0,0,0]=2 1178 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)O1 A44824 [0,1,0,1,0,0|2,0,0]=4 1179 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)O1 A44834 [0,1,0,1,0,0|2,0,0]=4 1180 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)O1 B44826 [0,1,0,1,0,0|2,0,0]=4 1181 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 B51311 [0,1,0,1,0,0|1,0,0]=3 1182 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 B9533 [0,1,0,1,0,0|1,0,0]=3 1183 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 C51319 [0,1,0,1,0,0|1,0,0]=3 1184 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 C24287 [0,1,0,1,0,0|1,0,0]=3 1185 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 F24289 [0,1,0,1,0,0|1,0,0]=3 1186 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 K61888 [0,1,0,1,0,0|1,0,0]=3 1187 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 B0214 [0,1,0,1,0,0|1,0,0]=3 1188 B12R2.606 O=C1CC2=C(C=CC(Br)=N2)N1 B7653 [0,1,0,1,0,0|2,0,0]=4 1189 B12R2.606 O=C1CC2=C(C=CC(Cl)=N2)N1 P5501 [0,1,0,1,0,0|2,0,0]=4 1190 B12R2.606 O=C1CC2=C(C=CC(F)=C2)N1 F28486 [0,1,0,1,0,0|1,0,0]=3 1191 B12R2.606 O=C1CC2=C(N=C(Br)C=C2)N1 B17259 [0,1,0,1,0,0|2,0,0]=4 1192 B12R2.606 O=C1CC2=C(N=C(Cl)C=C2)N1 C12509 [0,1,0,1,0,0|2,0,0]=4 1193 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 B0774 [0,1,0,1,0,0|2,0,0]=4 1194 B12R2.606 O=C1CC2=CC(Br)=NC=C2N1 B10998 [0,1,0,1,0,0|2,0,0]=4 1195 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 C0439 [0,1,0,1,0,0|2,0,0]=4 1196 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 C0457 [0,1,0,1,0,0|2,0,0]=4 1197 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 F0566 [0,1,0,1,0,0|2,0,0]=4 1198 B12R2.606 O=C1CC2=CN=C(Cl)C=C2N1 C7906 [0,1,0,1,0,0|2,0,0]=4 1199 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 B0533 [0,1,0,1,0,0|2,0,0]=4 1200 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 C0694 [0,1,0,1,0,0|2,0,0]=4 1201 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 B36673 [0,1,0,1,0,0|2,0,0]=4 1202 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 B69565 [0,1,0,1,0,0|1,0,0]=3 1203 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)S1 B44524 [0,1,0,1,0,0|1,1,0]=4 1204 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)N1 C69352 [0,1,0,1,0,0|2,0,0]=4 1205 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)S1 C38265 [0,1,0,1,0,0|1,1,0]=4 1206 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 F44847 [0,1,0,1,0,0|2,0,0]=4 1207 B12R2.606 O=C1NC2=C(C=C(F)C=C2)S1 F44553 [0,1,0,1,0,0|1,1,0]=4 1208 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 B44447 [0,1,0,1,0,0|1,0,0]=3 1209 B12R2.606 O=C1NC2=C(C=CC(F)=C2)O1 F44453 [0,1,0,1,0,0|1,0,0]=3 1210 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 B41837 [0,1,0,1,0,0|2,0,0]=4 1211 B12R2.606 O=C1NC2=NC=C(Cl)C=C2O1 C41838 [0,1,0,1,0,0|2,0,0]=4 1212 B12R2.606 O[C@H]1CC2=C(C=C(Br)C=C2)C1 B52018 [0,1,0,1,0,0|1,0,1]=4 1213 B12R2.606 S=C1NC2=C(C=C(Cl)C=C2)O1 C63973 [0,1,0,1,0,0|1,1,0]=4 1214 B12R2.606 S=C1NC2=C(C=CC(Br)=C2)O1 B44526 [0,1,0,1,0,0|1,1,0]=4 1215 B12R2.606 S=C1NC2=C(C=CC(Cl)=C2)O1 C44542 [0,1,0,1,0,0|1,1,0]=4 1216 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)O1 B62060 [0,1,0,1,0,0|1,0,1]=4 1217 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 M20444 [0,1,0,1,0,0|2,0,0]=4 1218 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 M48815 [0,1,0,1,0,0|2,0,0]=4 1219 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 M18676 [0,1,0,1,0,0|2,0,0]=4 1220 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [0,1,0,1,0,0|1,0,1]=4 1221 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O A18987 [0,1,0,1,0,0|1,0,1]=4 1222 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O A10679 [0,1,0,1,0,0|1,0,1]=4 1223 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [0,1,0,1,0,0|1,0,0]=3 1224 B12R2.27 OCC1CC1C2=CC=CC=C2 P52781 [0,1,0,1,0,0|1,0,1]=4 1225 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 B48072 [0,1,0,1,0,0|2,0,0]=4 1226 B12R2.32 CCC1=NC2=C(C=CC=C2)O1 E51753 [0,1,0,1,0,0|2,0,0]=4 1227 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 M48556 [0,1,0,1,0,0|1,1,0]=4 1228 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 C48088 [0,1,0,1,0,0|2,0,0]=4 1229 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 B50747 [0,1,0,1,0,0|1,0,1]=4 1230 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 I38005 [0,1,0,1,0,0|1,0,1]=4 1231 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 B50964 [0,1,0,1,0,0|0,0,1]=3 1232 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 B37929 [0,1,0,1,0,0|0,1,1]=4 1233 B12R2.32 O=CC1=CC2=C(C=CC=N2)O1 F10728 [0,1,0,1,0,0|1,0,1]=4 1234 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 B23090 [0,1,0,1,0,0|2,0,0]=4 1235 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 B9216 [0,1,0,1,0,0|1,1,0]=4 1236 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 M9932 [0,1,0,1,0,0|1,0,1]=4 1237 B12R2.32 OCC1=CC2=C(C=CC=C2)S1 B51662 [0,1,0,1,0,0|0,1,1]=4 1238 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 B28661 [0,1,0,1,0,0|2,0,0]=4 1239 B12R2.32 OCC1=NC2=C(C=CC=C2)O1 B48459 [0,1,0,1,0,0|1,0,1]=4 1240 B12R2.32 OCC1=NC2=C(C=CC=C2)S1 B69048 [0,1,0,1,0,0|1,1,0]=4 1241 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 D15699 [0,1,0,1,0,0|1,0,1]=4 1242 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 D49898 [0,1,0,1,0,0|0,0,2]=4 1243 B12R2.95 O=S1(=O)CC2=C(C=CC=C2)N1 D45828 [0,1,0,1,0,0|1,0,1]=4 1244 B12R2.202 CC1=CC2=CC=CC(Br)=C2C1 B10696 [0,1,0,1,0,0|2,0,0]=4 1245 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 M51751 [0,1,0,1,0,0|1,0,0]=3 1246 B12R2.202 CC1=CC=NC2=C1NC(=O)C2 M48820 [0,1,0,1,0,0|2,0,0]=4 1247 B12R2.202 CC1=NC2=C(F)C=CC=C2O1 F48104 [0,1,0,1,0,0|2,0,0]=4 1248 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 A48794 [0,1,0,1,0,0|1,0,0]=3 1249 B12R2.202 NC1=CC=CC2=C1OC(=O)N2 A45229 [0,1,0,1,0,0|1,0,0]=3 1250 B12R2.202 NC1=NC2=C(Br)C=CC=C2O1 B44825 [0,1,0,1,0,0|2,0,0]=4 1251 B12R2.202 NC1=NC2=C(C=CC=C2O)O1 H45228 [0,1,0,1,0,0|2,0,0]=4 1252 B12R2.202 NC1=NC2=CC=CC(Br)=C2O1 B44827 [0,1,0,1,0,0|2,0,0]=4 1253 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 B2074 [0,1,0,1,0,0|1,0,0]=3 1254 B12R2.202 O=C1CC2=C(Br)C=CN=C2N1 B16473 [0,1,0,1,0,0|2,0,0]=4 1255 B12R2.202 O=C1CC2=C(Br)C=NC=C2N1 B37615 [0,1,0,1,0,0|2,0,0]=4 1256 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 H48455 [0,1,0,1,0,0|1,0,0]=3 1257 B12R2.202 O=C1CC2=C(C=CN=C2Cl)N1 C60215 [0,1,0,1,0,0|2,0,0]=4 1258 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 C22284 [0,1,0,1,0,0|1,0,0]=3 1259 B12R2.202 O=C1CC2=C(Cl)C=CN=C2N1 C0438 [0,1,0,1,0,0|2,0,0]=4 1260 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 F48095 [0,1,0,1,0,0|1,0,0]=3 1261 B12R2.202 O=C1CC2=C(F)C=CN=C2N1 F0565 [0,1,0,1,0,0|2,0,0]=4 1262 B12R2.202 O=C1CC2=C(I)C=CN=C2N1 I17231 [0,1,0,1,0,0|2,0,0]=4 1263 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 B10978 [0,1,0,1,0,0|1,0,0]=3 1264 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 B12492 [0,1,0,1,0,0|1,0,0]=3 1265 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 F48096 [0,1,0,1,0,0|1,0,0]=3 1266 B12R2.202 O=C1CC2=CN=CC(Br)=C2N1 B27216 [0,1,0,1,0,0|2,0,0]=4 1267 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 F44555 [0,1,0,1,0,0|1,1,0]=4 1268 B12R2.202 O=C1NC2=C(Cl)C=CC=C2S1 C44540 [0,1,0,1,0,0|1,1,0]=4 1269 B12R2.202 O=C1NC2=CC=CC(Br)=C2O1 B44448 [0,1,0,1,0,0|1,0,0]=3 1270 B12R2.202 O=C1NC2=CC=CC(Br)=C2S1 B44525 [0,1,0,1,0,0|1,1,0]=4 1271 B12R2.202 O=C1NC2=CC=CC(Cl)=C2S1 C44541 [0,1,0,1,0,0|1,1,0]=4 1272 B12R2.202 O=C1NC2=CC=CC(F)=C2N1 F38220 [0,1,0,1,0,0|2,0,0]=4 1273 B12R2.202 O[C@H]1CC2=CC=CC(Br)=C2C1 B18025 [0,1,0,1,0,0|1,0,1]=4 1274 B12R2.202 S=C1NC2=CC=CC(Cl)=C2O1 C62263 [0,1,0,1,0,0|1,1,0]=4 1275 B8R1.8 OCCC1=CC=CS1 T12817 [1,0,0,0,1,0|1,0,1]=4 1276 B8R1.8 OCCC1=CSC=C1 T12832 [1,0,0,0,1,0|1,0,1]=4 1277 B8R1.7 CC(=O)C1=CC=CN1 P68619 [0,0,0,0,2,0|2,0,0]=4 1278 B8R1.7 CC(=O)C1=CC=CS1 A69304 [0,0,0,0,2,0|2,0,0]=4 1279 B8R1.7 CC(=O)C1=CNC=C1 A37548 [0,0,0,0,2,0|2,0,0]=4 1280 B8R1.7 CC(=O)C1=CSC=C1 A12828 [0,0,0,0,2,0|2,0,0]=4 1281 B8R1.7 O=C(Cl)C1=CC=CS1 T10056 [0,0,0,0,2,0|2,0,0]=4 1282 B8R1.7 O=C(O)C1=CC=CN1 P24658 [0,0,0,0,2,0|1,0,0]=3 1283 B8R1.7 O=C(O)C1=CC=CO1 F38499 [0,0,0,0,2,0|1,0,0]=3 1284 B8R1.7 O=C(O)C1=CC=CS1 T69312 [0,0,0,0,2,0|1,0,0]=3 1285 B8R1.7 O=C(O)C1=CC=NO1 K40064 [0,0,0,0,2,0|2,0,0]=4 1286 B8R1.7 O=C(O)C1=CC=NS1 T40063 [0,0,0,0,2,0|2,0,0]=4 1287 B8R1.7 O=C(O)C1=CN=CO1 O9363 [0,0,0,0,2,0|2,0,0]=4 1288 B8R1.7 O=C(O)C1=CN=CS1 T2164 [0,0,0,0,2,0|2,0,0]=4 1289 B8R1.7 O=C(O)C1=CNN=C1 P10474 [0,0,0,0,2,0|2,0,0]=4 1290 B8R1.7 O=C(O)C1=COC=C1 F14351 [0,0,0,0,2,0|1,0,0]=3 1291 B8R1.7 O=C(O)C1=COC=N1 X9342 [0,0,0,0,2,0|2,0,0]=4 1292 B8R1.7 O=C(O)C1=CON=C1 X24704 [0,0,0,0,2,0|2,0,0]=4 1293 B8R1.7 O=C(O)C1=CSC=C1 T12825 [0,0,0,0,2,0|1,0,0]=3 1294 B8R1.7 O=C(O)C1=CSC=N1 T2163 [0,0,0,0,2,0|2,0,0]=4 1295 B8R1.7 O=C(O)C1=CSN=C1 T40062 [0,0,0,0,2,0|2,0,0]=4 1296 B8R1.7 O=C(O)C1=NC=CN1 I37951 [0,0,0,0,2,0|2,0,0]=4 1297 B8R1.7 O=C(O)C1=NC=CS1 T9224 [0,0,0,0,2,0|2,0,0]=4 1298 B8R1.7 O=C(O)C1=NNC=C1 P9459 [0,0,0,0,2,0|2,0,0]=4 1299 B8R1.7 O=C(O)C1=NOC=C1 I12360 [0,0,0,0,2,0|2,0,0]=4 1300 B8R1.7 O=C(O)C1=NSC=C1 I6110 [0,0,0,0,2,0|2,0,0]=4 1301 B8R1.7 O=C([O-])C1=CC=CS1 C2751 [0,0,0,0,2,0|1,0,1]=4 1302 B8R1.7 O=C([O-])C1=CC=CS1 C41403 [0,0,0,0,2,0|1,0,1]=4 1303 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [0,0,0,0,0,2|1,0,0]=3 1304 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 B37631 [0,0,0,0,0,2|1,0,1]=4 1305 B12R1.252 O=C(O)CCCC1=NC=CC=C1 P50052 [0,0,0,0,0,2|1,0,0]=3 1306 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [0,0,0,0,0,2|0,0,0]=2 1307 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [0,0,0,0,0,2|0,0,0]=2