0 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 CC(C)NC1=NC=CC=N1 I39098 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.18 FC(F)OC1=CC=CC=C1 D45605 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.18 N=C(N)NC1=CC=CC=C1 P49691 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [0,0,0,0,0,0|1,0,1]=2 13 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.18 NC(=O)CC1=NC=CC=N1 P43092 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.18 NC(=S)NC1=NC=CC=C1 P43125 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.18 S=C(Cl)OC1=CC=CC=C1 P37341 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.8 BrCCC1=CC=NC=C1 B46088 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 CC#CC1=CC=CC=C1 P68608 [1,0,0,0,0,0|0,0,2]=3 24 B9R1.8 CCCC1=NC=CC=C1 P46859 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.8 CCCC1=NC=CN=C1 P43598 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 CCNC1=NC=CN=C1 E43330 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.8 CCOC1=NC=CC=C1 E46369 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 CNCC1=CC=NC=C1 M43623 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 CNCC1=CN=CN=C1 N11436 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.8 CNCC1=CN=NC=C1 M12238 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.8 CNCC1=CN=NC=C1 M27035 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.8 CNCC1=NC=CC=N1 M14362 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.8 CNCC1=NC=CC=N1 M31227 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.8 CNCC1=NC=CN=C1 M14584 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.8 CNNC1=CC=CC=C1 M46459 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 COCC1=NC=CC=C1 M46377 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [1,0,0,0,0,0|0,0,2]=3 38 B9R1.8 IC#CC1=CC=CC=C1 I1886 [1,0,0,0,0,0|1,0,2]=4 39 B9R1.8 N#CCC1=CN=CC=C1 P38543 [1,0,0,0,0,0|1,0,2]=4 40 B9R1.8 N#CCC1=NC=CC=C1 P45196 [1,0,0,0,0,0|1,0,2]=4 41 B9R1.8 N#COC1=CC=CC=C1 P44923 [1,0,0,0,0,0|1,0,2]=4 42 B9R1.8 NCCC1=CC=CN=C1 P43605 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.8 NCCC1=NC=CC=C1 P67673 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.8 NCCC1=NC=NC=C1 P14666 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 NCCC1=NC=NC=C1 P29961 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.8 NNCC1=CC=CC=C1 B6123 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.8 NNCC1=CC=CC=C1 B68081 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.8 NNCC1=CC=CN=C1 H0097 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 NNCC1=CC=CN=C1 H36962 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.8 NNCC1=CC=CN=N1 H13970 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.8 NNCC1=CC=NC=C1 H0096 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.8 NNCC1=CC=NC=C1 H26285 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.8 NNCC1=CN=CN=C1 H0219 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.8 NNCC1=CN=NC=C1 H12257 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.8 NNCC1=NC=CC=C1 H0098 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.8 NNCC1=NC=CC=N1 H7463 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.8 NNCC1=NC=CN=C1 H7534 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.8 NOCC1=CC=CC=C1 B68114 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.8 O=COC1=CC=CC=C1 P45508 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.8 OCCC1=CC=NC=C1 H46381 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.8 OCCC1=CN=CC=C1 P46376 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.8 OCCC1=NC=CN=C1 P24824 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.8 ONCC1=CC=CC=C1 B36744 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.8 ONCC1=CC=CC=C1 B46575 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.8 O\N=C\C1=CC=CC=C1 B61148 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.8 S=C=NC1=CC=CC=C1 T64712 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [1,0,0,0,0,0|1,0,0]=2 69 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 B52021 [0,1,0,0,0,0|1,0,1]=3 70 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 C52036 [0,1,0,0,0,0|1,0,1]=3 71 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 F52043 [0,1,0,0,0,0|1,0,1]=3 72 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 A66708 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 A64153 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B52869 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.20 CC(C)NC1=CC=C(F)C=C1 F50250 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.20 CC(C)OC1=CC=C(N)C=C1 P50334 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.20 CC(C)OC1=CC=C(O)C=C1 P60509 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C37509 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 B46786 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P59792 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.20 CC(C)OC1=NC=C(O)C=C1 P63580 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 B49968 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 T37815 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 T46710 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.20 CN(C)CC1=CC=C(N)C=C1 D24687 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 F36778 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.20 FC(F)OC1=CC=C(Br)C=C1 B45142 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 C49035 [0,1,0,0,0,0|1,0,1]=3 89 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 C45699 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 B45688 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 C37226 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 F1233 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 A69139 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.20 NC1=CC=C(OC(F)F)C=C1 D45886 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B7856 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C68318 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 F67433 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.20 OC1=CC=C(OC(F)F)C=C1 D38768 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [0,1,0,0,0,0|1,0,2]=4 100 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 B39601 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.36 C[C@@H](O)[C@@H](N)C1=CC=CC=C1 A52178 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 A52176 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.36 C[C@H](Br)C(=O)C1=CC=CC=C1 B52026 [0,1,0,0,0,0|1,0,1]=3 108 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.36 C[C@H](O)[C@@H](N)C1=CC=CC=C1 A52179 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 A52177 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 A69457 [0,1,0,0,0,0|1,0,1]=3 112 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A69199 [0,1,0,0,0,0|1,0,1]=3 113 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 A68336 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 A69083 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.36 O=C(C1=CC=CC=C1)C(F)F D63183 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.36 O=C(O)[C@H](Cl)C1=CC=CC=C1 C48589 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 P52407 [0,1,0,0,0,0|1,0,1]=3 119 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.40 COC(=O)CC1=CC=NC=C1 M22906 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.40 COC(=O)CC1=CN=CC=C1 M12485 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.40 COC(=O)CC1=NC=CC=C1 M12486 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 P38171 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.40 NNC(=O)CC1=CC=NC=C1 P9939 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [0,1,0,0,0,0|0,0,0]=1 127 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [0,1,0,0,0,0|0,0,0]=1 128 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [0,1,0,0,0,0|0,0,0]=1 129 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B49021 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B64861 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.40 O=C(CBr)OC1=CC=CC=C1 P48564 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C38641 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 B52020 [0,1,0,0,0,0|1,0,1]=3 136 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 C52039 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 F52044 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 A46655 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.86 CC(C)NC1=NC=CC=C1N P47054 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 B50144 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.86 CC(C)OC1=C(Br)C=CC=N1 B46784 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.86 CC(C)OC1=C(N)C=CC=C1 P67507 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P50385 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P60671 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 T69090 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.86 CC1=NC=CN=C1CC(C)C B50395 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.86 FC(F)OC1=C(Br)C=CC=C1 B45140 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.86 FC(F)OC1=C(I)C=CC=C1 D38936 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 C49033 [0,1,0,0,0,0|1,0,1]=3 150 B11R1.86 NC(=S)NC1=C(Br)C=CC=C1 B62940 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.86 NC(=S)NC1=C(Cl)C=CC=C1 C39396 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.86 NC1=C(OC(F)F)C=CC=C1 D67331 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 B39490 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 F39494 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 K48630 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 B64129 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 C52040 [0,1,0,0,0,0|1,0,1]=3 158 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 F52045 [0,1,0,0,0,0|1,0,1]=3 159 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 F2848 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 F48608 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 K48628 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 B52868 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.157 CC(C)OC1=CC(O)=CC=C1 M61115 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 B66115 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.157 CC(C)OC1=NC=CC(Br)=C1 B46785 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 T49882 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 B50233 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.157 CN(C)CC1=CC=CC(O)=C1 D50353 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.157 FC(F)OC1=CC=CC(Br)=C1 B45141 [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|2,0,1]=4 171 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 A46654 [0,1,0,0,0,0|1,0,1]=3 172 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 C49034 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.157 NC1=CC=CC(OC(F)F)=C1 D45885 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 B67653 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 C68317 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 F23088 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 K48631 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.157 OC1=CC=CC(OC(F)F)=C1 D45518 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.509 CC(C)(C)OC1=CN=CC=C1 B50336 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.509 CC(C)(C)OC1=NC=CC=C1 B50335 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 P46415 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 B37400 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 M37460 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 T60768 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 T60838 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.509 FC(F)(F)OC1=CC=CC=C1 T39366 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.509 F[B-](F)(F)CC1=CC=CC=C1 P43591 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 P38803 [0,1,0,0,0,0|2,0,0]=3 189 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 P22144 [0,0,0,1,0,0|0,0,0]=1 190 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P24205 [0,0,0,1,0,0|0,0,0]=1 191 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 B51041 [0,0,0,1,0,0|1,0,2]=4 192 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 B36657 [0,0,0,1,0,0|2,0,1]=4 193 B11R2.10 BrC1CC2=C(C=CC=C2)C1 B51667 [0,0,0,1,0,0|1,0,0]=2 194 B11R2.10 CC1=CC2=C(C=CC=C2)C1 M38071 [0,0,0,1,0,0|1,0,1]=3 195 B11R2.10 CC1=CC2=C(C=CC=C2)N1 M13893 [0,0,0,1,0,0|0,0,2]=3 196 B11R2.10 CC1=CC2=C(C=CC=C2)S1 M51663 [0,0,0,1,0,0|1,0,2]=4 197 B11R2.10 CC1=CC2=C(C=CN=C2)N1 M14784 [0,0,0,1,0,0|1,0,2]=4 198 B11R2.10 CC1=CC2=C(C=NC=C2)N1 M12631 [0,0,0,1,0,0|1,0,2]=4 199 B11R2.10 CC1=CC2=CC=CN=C2N1 M0598 [0,0,0,1,0,0|1,0,2]=4 200 B11R2.10 CC1=CC2=NC=CC=C2N1 M25103 [0,0,0,1,0,0|1,0,2]=4 201 B11R2.10 CC1=NC2=C(C=CC=C2)O1 M63131 [0,0,0,1,0,0|1,0,2]=4 202 B11R2.10 CC1=NC2=C(C=CC=C2)S1 M39486 [0,0,0,1,0,0|1,0,2]=4 203 B11R2.10 CC1=NC2=NC=CC=C2N1 M45728 [0,0,0,1,0,0|2,0,1]=4 204 B11R2.10 CN1C=C2C=CC=CC2=N1 M14460 [0,0,0,1,0,0|1,0,2]=4 205 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M13896 [0,0,0,1,0,0|0,0,0]=1 206 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M15830 [0,0,0,1,0,0|0,0,0]=1 207 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 D64809 [0,0,0,1,0,0|1,0,0]=2 208 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 C47956 [0,0,0,1,0,0|1,0,2]=4 209 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 C39352 [0,0,0,1,0,0|2,0,1]=4 210 B11R2.10 IC1=CC2=C(C=CC=C2)N1 K47983 [0,0,0,1,0,0|1,0,2]=4 211 B11R2.10 NC1=CC2=C(C=CC=C2)S1 B39092 [0,0,0,1,0,0|1,0,2]=4 212 B11R2.10 NC1=NC2=C(C=CC=C2)N1 K64925 [0,0,0,1,0,0|2,0,1]=4 213 B11R2.10 NC1=NC2=C(C=CC=C2)O1 B45208 [0,0,0,1,0,0|2,0,1]=4 214 B11R2.10 O=C1CC2=C(C=CC=C2)C1 K24552 [0,0,0,1,0,0|1,0,1]=3 215 B11R2.10 O=C1CC2=C(C=CC=N2)N1 D0382 [0,0,0,1,0,0|2,0,1]=4 216 B11R2.10 O=C1CC2=C(C=CN=C2)N1 D0077 [0,0,0,1,0,0|2,0,1]=4 217 B11R2.10 O=C1CC2=C(C=NC=C2)N1 D0383 [0,0,0,1,0,0|2,0,1]=4 218 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D0034 [0,0,0,1,0,0|2,0,1]=4 219 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D15765 [0,0,0,1,0,0|2,0,1]=4 220 B11R2.10 O=C1NC2=C(C=CC=C2)N1 H67954 [0,0,0,1,0,0|2,0,1]=4 221 B11R2.10 OC1CC2=C(C=CC=C2)C1 D67665 [0,0,0,1,0,0|1,0,0]=2 222 B11R2.10 S=C1NC2=C(C=CC=C2)N1 B69662 [0,0,0,1,0,0|2,0,1]=4 223 B11R2.10 S=C1NC2=C(C=CC=C2)S1 B69039 [0,0,0,1,0,0|2,0,1]=4 224 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [0,0,0,0,1,0|2,0,0]=3 225 B9R1.6 CN(C)C1=CC=NC=C1 P68104 [0,0,0,0,1,0|3,0,0]=4 226 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [0,0,0,0,1,0|0,0,0]=1 227 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [0,0,0,0,1,0|1,0,0]=2 228 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [0,0,0,0,1,0|1,0,0]=2 229 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [0,0,0,0,1,0|1,0,0]=2 230 B9R1.6 C[C@@H](N)C1=CN=CN=C1 A12922 [0,0,0,0,1,0|2,0,0]=3 231 B9R1.6 C[C@@H](N)C1=CN=CN=C1 P27095 [0,0,0,0,1,0|2,0,0]=3 232 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [0,0,0,0,1,0|1,0,0]=2 233 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [0,0,0,0,1,0|1,0,0]=2 234 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [0,0,0,0,1,0|1,0,0]=2 235 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [0,0,0,0,1,0|2,0,0]=3 236 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [0,0,0,0,1,0|2,0,0]=3 237 B9R1.6 C[C@H](Br)C1=NC=CN=C1 B42963 [0,0,0,0,1,0|3,0,0]=4 238 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [0,0,0,0,1,0|0,0,0]=1 239 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [0,0,0,0,1,0|0,0,0]=1 240 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [0,0,0,0,1,0|1,0,0]=2 241 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [0,0,0,0,1,0|1,0,0]=2 242 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [0,0,0,0,1,0|1,0,0]=2 243 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [0,0,0,0,1,0|1,0,0]=2 244 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [0,0,0,0,1,0|1,0,0]=2 245 B9R1.6 C[C@H](N)C1=CN=CN=C1 A12921 [0,0,0,0,1,0|2,0,0]=3 246 B9R1.6 C[C@H](N)C1=CN=CN=C1 A7447 [0,0,0,0,1,0|2,0,0]=3 247 B9R1.6 C[C@H](N)C1=CN=NC=C1 P30996 [0,0,0,0,1,0|2,0,0]=3 248 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [0,0,0,0,1,0|1,0,0]=2 249 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [0,0,0,0,1,0|1,0,0]=2 250 B9R1.6 C[C@H](N)C1=NC=CC=N1 P36807 [0,0,0,0,1,0|2,0,0]=3 251 B9R1.6 C[C@H](N)C1=NC=CN=C1 P14583 [0,0,0,0,1,0|2,0,0]=3 252 B9R1.6 C[C@H](N)C1=NC=NC=C1 A12259 [0,0,0,0,1,0|2,0,0]=3 253 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [0,0,0,0,1,0|1,0,0]=2 254 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [0,0,0,0,1,0|2,0,0]=3 255 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [0,0,0,0,1,0|2,0,0]=3 256 B9R1.6 C[C@H](O)C1=NC=CN=C1 P43187 [0,0,0,0,1,0|3,0,0]=4 257 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [0,0,0,0,1,0|2,0,0]=3 258 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [0,0,0,0,1,0|3,0,0]=4 259 B9R1.6 N=C(N)C1=CC=CC=C1 B39428 [0,0,0,0,1,0|1,0,1]=3 260 B9R1.6 N=C(N)C1=CC=CN=C1 N43530 [0,0,0,0,1,0|2,0,1]=4 261 B9R1.6 N=C(N)C1=CC=NC=C1 N43531 [0,0,0,0,1,0|2,0,1]=4 262 B9R1.6 N=C(N)C1=NC=CC=C1 A3829 [0,0,0,0,1,0|2,0,1]=4 263 B9R1.6 N=C(N)C1=NC=CC=C1 P43087 [0,0,0,0,1,0|2,0,1]=4 264 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [0,0,0,0,1,0|1,0,1]=3 265 B9R1.6 NC(=O)C1=NC=CC=C1 P60877 [0,0,0,0,1,0|2,0,1]=4 266 B9R1.6 O=[S@]([O-])C1=CC=CC=C1 S68689 [0,0,0,0,1,0|3,0,0]=4 267 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [0,0,0,0,0,1|2,0,1]=4 268 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [0,0,0,0,0,1|1,0,2]=4 269 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [0,0,0,0,0,1|1,0,1]=3 270 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [0,0,0,0,0,1|1,0,1]=3 271 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [0,0,0,0,0,1|1,0,2]=4 272 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [0,0,0,0,0,1|2,0,1]=4 273 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [0,0,0,0,0,1|2,0,1]=4 274 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [0,0,0,0,0,1|3,0,0]=4 275 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [0,0,0,0,0,1|3,0,0]=4 276 B8R1.2 BrCC1=CC=NC=C1 B36897 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.2 BrCC1=CN=CC=C1 B23879 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.2 BrCC1=NC=CC=C1 B42841 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.2 CCC1=NC=CN=C1 E43180 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.2 CNC1=CC=CN=C1 M38086 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.2 CNC1=CC=NC=C1 M68620 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.2 COC1=CC=NC=C1 M9391 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.2 COC1=CN=CC=C1 M67978 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.2 COC1=NC=CC=C1 M39277 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.2 ClCC1=CC=NC=C1 C68845 [2,0,0,0,0,0|2,0,0]=4 286 B8R1.2 ClCC1=NC=CC=C1 C67870 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 NCC1=CC=CN=C1 A69257 [2,0,0,0,0,0|1,0,0]=3 288 B8R1.2 NCC1=CC=CN=N1 A0031 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.2 NCC1=CC=CN=N1 P29569 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.2 NCC1=CC=NC=C1 P67743 [2,0,0,0,0,0|1,0,0]=3 291 B8R1.2 NCC1=CN=CN=C1 P0028 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.2 NCC1=CN=CN=C1 P29548 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.2 NCC1=CN=NC=C1 A0027 [2,0,0,0,0,0|2,0,0]=4 294 B8R1.2 NCC1=CN=NC=C1 P41350 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.2 NCC1=NC=CC=N1 A7421 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.2 NCC1=NC=CC=N1 P0030 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.2 NCC1=NC=CN=C1 P0029 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.2 NCC1=NC=CN=C1 P4303 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.2 NCC1=NC=NC=C1 A0032 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.2 NCC1=NC=NC=C1 A10198 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.2 NCC1=NC=NC=C1 P23754 [2,0,0,0,0,0|2,0,0]=4 302 B8R1.2 NNC1=CC=CC=C1 P68696 [2,0,0,0,0,0|1,0,0]=3 303 B8R1.2 NNC1=CC=CN=C1 H0043 [2,0,0,0,0,0|2,0,0]=4 304 B8R1.2 NNC1=CC=CN=C1 H41349 [2,0,0,0,0,0|2,0,0]=4 305 B8R1.2 NNC1=CC=NC=C1 H0042 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.2 NNC1=NC=CC=C1 H38511 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.2 NOC1=CC=CC=C1 P43533 [2,0,0,0,0,0|1,0,0]=3 308 B8R1.2 OCC1=CC=NC=C1 P43429 [2,0,0,0,0,0|2,0,0]=4 309 B8R1.2 OCC1=CC=NC=C1 P67894 [2,0,0,0,0,0|2,0,0]=4 310 B8R1.2 OCC1=CN=CC=C1 P15946 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.2 OCC1=NC=CC=C1 P69303 [2,0,0,0,0,0|2,0,0]=4 312 B8R1.2 ONC1=CC=CC=C1 P67873 [2,0,0,0,0,0|2,0,0]=4 313 B10R1.1 CC1=CC=C(CC#N)C=C1 M39574 [1,1,0,0,0,0|0,0,2]=4 314 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.1 CC1=CC=C(CNN)C=C1 M49662 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.1 CC1=NC=C(CCO)C=C1 M15913 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [1,1,0,0,0,0|0,0,0]=2 320 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [1,1,0,0,0,0|0,0,0]=2 321 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [1,1,0,0,0,0|0,0,0]=2 322 B10R1.1 CCNC1=CC=C(F)C=C1 E46759 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.1 CCOC1=CC=C(I)C=C1 E49468 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.1 CCOC1=CC=C(O)C=C1 E68898 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.1 CCOC1=CC=C([Mg+])C=C1 E31767 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.1 CCOC1=CN=C(Br)C=C1 B46151 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.1 CCOC1=CN=C(Cl)C=C1 C46184 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.1 CCOC1=CN=C(N)C=C1 E43625 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.1 CCOC1=NC=C(Br)C=C1 B4568 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.1 CCOC1=NC=C(I)C=C1 E46226 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.1 CCSC1=CC=C([Mg+])C=C1 E31791 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [1,1,0,0,0,0|1,0,0]=3 338 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.1 ClC1=CC=C(CCBr)C=C1 B48760 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.1 FC1=CC=C(CCBr)C=C1 B13769 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.1 FC1=CC=C(CC[Mg+])C=C1 F31725 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C69078 [1,1,0,0,0,0|0,0,2]=4 343 B10R1.1 N#CCC1=CC=C(I)C=C1 K47988 [1,1,0,0,0,0|0,0,2]=4 344 B10R1.1 N#CCC1=CC=C(N)C=C1 A67449 [1,1,0,0,0,0|0,0,2]=4 345 B10R1.1 N#CCC1=CC=C(O)C=C1 H68900 [1,1,0,0,0,0|0,0,2]=4 346 B10R1.1 NCCC1=CC=C(Cl)C=C1 C67656 [1,1,0,0,0,0|0,0,0]=2 347 B10R1.1 NCCC1=CC=C(F)C=C1 F69101 [1,1,0,0,0,0|0,0,0]=2 348 B10R1.1 NCCC1=NC=C(Br)C=C1 A1731 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.1 NNCC1=CC=C(Br)C=C1 B0093 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.1 NNCC1=CC=C(Br)C=C1 B12215 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.1 NNCC1=CC=C(Cl)C=C1 C0094 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.1 NNCC1=CC=C(Cl)C=C1 C10206 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.1 NNCC1=CC=C(F)C=C1 F0090 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.1 NOCC1=CC=C(Cl)C=C1 C64524 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.1 NOCC1=CC=C(F)C=C1 F46562 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.1 OCCC1=CC=C(Br)C=C1 B36776 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.1 OCCC1=CC=C(Cl)C=C1 C39522 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.1 OCCC1=CC=C(F)C=C1 F49459 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.1 OCCC1=CC=C(I)C=C1 K49469 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.1 OCCC1=CN=C(Cl)C=C1 C37718 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.1 OCCC1=NC=C(Br)C=C1 B7705 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.1 [Mg+]CCC1=CC=C(Cl)C=C1 C31726 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.4 CC1=C(CC#N)C=CC=C1 T69238 [1,1,0,0,0,0|0,0,2]=4 367 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.4 CCOC1=C(I)C=CC=N1 E46225 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.4 CCOC1=C(N)C=CN=C1 E26317 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.4 CCOC1=C(N)C=NC=C1 E38360 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.4 CCOC1=CC=CNC1=O E46398 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.4 CCSC1=C(N)C=CC=C1 E46939 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.4 CNCC1=C(F)C=CC=N1 F14667 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.4 N#CCC1=C(Br)C=CC=C1 B69236 [1,1,0,0,0,0|0,0,2]=4 381 B10R1.4 N#CCC1=C(Cl)C=CC=C1 C39466 [1,1,0,0,0,0|0,0,2]=4 382 B10R1.4 N#CCC1=C(F)C=CC=C1 F68569 [1,1,0,0,0,0|0,0,2]=4 383 B10R1.4 N#CCC1=C(I)C=CC=C1 K47987 [1,1,0,0,0,0|0,0,2]=4 384 B10R1.4 N#CCC1=C(N)C=CC=C1 A48786 [1,1,0,0,0,0|0,0,2]=4 385 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [1,1,0,0,0,0|0,0,0]=2 387 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [1,1,0,0,0,0|0,0,0]=2 389 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [1,1,0,0,0,0|0,0,0]=2 390 B10R1.4 NNCC1=C(Br)C=CC=C1 B10205 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.4 NNCC1=C(Br)C=CC=C1 B7428 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.4 NNCC1=C(Cl)C=CC=C1 C10207 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.4 NNCC1=C(F)C=CC=C1 F0092 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.4 NNCC1=C(F)C=CC=C1 F7427 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.4 NOCC1=C(F)C=CC=C1 F63413 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [1,1,0,0,0,0|1,0,0]=3 398 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.10 BrCCC1=CC=CC(Br)=C1 B23535 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.10 CC1=CC=CC(CC#N)=C1 M67706 [1,1,0,0,0,0|0,0,2]=4 402 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.10 CCNC1=NC=CC(N)=C1 A43751 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.10 CCOC1=CC(Br)=CN=C1 B46155 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.10 CCOC1=CC(Br)=NC=C1 B21763 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.10 CCOC1=CC(Cl)=NC=C1 C46183 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.10 CCOC1=CC(F)=NC=C1 E46208 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.10 CCOC1=CC(N)=CC=C1 E64076 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.10 CCOC1=CC(N)=NC=C1 A43626 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.10 CCOC1=CC=CC(Br)=C1 B49423 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.10 CCOC1=CC=CC(F)=C1 E49455 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.10 CCOC1=CC=CC([Mg+])=C1 E31766 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.10 CCOC1=CN=CC(N)=C1 E36780 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.10 CCOC1=NC=CC(Br)=C1 B24368 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.10 CCOC1=NC=CC(N)=C1 A43627 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.10 CCSC1=CC=CC(Br)=C1 B3190 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.10 CNCC1=CC(Br)=CN=C1 B46290 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.10 CNCC1=CC(N)=CC=C1 M46965 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.10 CNCC1=CC=CC(Cl)=C1 C46754 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.10 CNCC1=NC=CC(Cl)=C1 C46305 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.10 ClC1=CC=CC(CCBr)=C1 C48759 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.10 N#CCC1=CC(N)=CC=C1 A48787 [1,1,0,0,0,0|0,0,2]=4 424 B10R1.10 N#CCC1=CC=CC(Br)=C1 B23025 [1,1,0,0,0,0|0,0,2]=4 425 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C69079 [1,1,0,0,0,0|0,0,2]=4 426 B10R1.10 N#CCC1=CC=CC(F)=C1 F39467 [1,1,0,0,0,0|0,0,2]=4 427 B10R1.10 N#CCC1=CC=CC(O)=C1 H48451 [1,1,0,0,0,0|0,0,2]=4 428 B10R1.10 NCCC1=CC(=O)NC=C1 A46457 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.10 NCCC1=CC=CC(Br)=C1 B46722 [1,1,0,0,0,0|0,0,0]=2 430 B10R1.10 NCCC1=CC=CC(Br)=C1 B68552 [1,1,0,0,0,0|0,0,0]=2 431 B10R1.10 NCCC1=CC=CC(Cl)=C1 C10742 [1,1,0,0,0,0|0,0,0]=2 432 B10R1.10 NCCC1=CC=CC(F)=C1 F38570 [1,1,0,0,0,0|0,0,0]=2 433 B10R1.10 NCCC1=CC=CC(F)=C1 F46762 [1,1,0,0,0,0|0,0,0]=2 434 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [1,1,0,0,0,0|0,0,0]=2 435 B10R1.10 NNCC1=CC(Br)=CN=C1 B12725 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.10 NNCC1=CC=CC(Br)=C1 B12216 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.10 NNCC1=CC=CC(Cl)=C1 C12217 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.10 NNCC1=CC=CC(Cl)=C1 C46306 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.10 NNCC1=CC=CC(F)=C1 F0091 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.10 NNCC1=CC=CC(F)=C1 F10204 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.10 OCCC1=CC=CC(Br)=C1 B22812 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.10 OCCC1=CC=CC(Br)=N1 B46160 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.10 OCCC1=CC=CC(Cl)=C1 C49444 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.10 OCCC1=CC=CC(F)=C1 F49458 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [1,1,0,0,0,0|0,0,2]=4 446 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 P68581 [1,1,0,0,0,0|0,0,2]=4 447 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [1,1,0,0,0,0|0,0,1]=3 448 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [1,1,0,0,0,0|0,0,0]=2 450 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P14590 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P27649 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [1,1,0,0,0,0|0,0,0]=2 458 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [1,1,0,0,0,0|0,0,0]=2 459 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [1,1,0,0,0,0|0,0,0]=2 460 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [1,1,0,0,0,0|0,0,0]=2 463 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [1,1,0,0,0,0|0,0,0]=2 465 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [1,1,0,0,0,0|1,0,1]=4 471 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [1,1,0,0,0,0|0,0,0]=2 475 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [1,1,0,0,0,0|0,0,1]=3 477 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [1,1,0,0,0,0|0,0,2]=4 478 B10R1.17 C=COCC1=CC=CC=C1 B26636 [1,1,0,0,0,0|0,0,2]=4 479 B10R1.17 CCCCC1=CC=NC=C1 B50306 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.17 CCCOC1=CC=CC=C1 P50263 [1,1,0,0,0,0|0,0,0]=2 482 B10R1.17 CCNCC1=CC=CC=C1 B39547 [1,1,0,0,0,0|0,0,0]=2 483 B10R1.17 CCNCC1=NC=CC=C1 P46970 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.17 CCOCC1=CC=CC=C1 E50267 [1,1,0,0,0,0|0,0,0]=2 485 B10R1.17 CNCCC1=CC=CN=C1 M46974 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.17 ClCC#CC1=CC=CC=C1 C51043 [1,1,0,0,0,0|0,0,2]=4 487 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [1,1,0,0,0,0|0,0,2]=4 490 B10R1.17 NCCCC1=CC=NC=C1 P46966 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.17 NCCNC1=CC=CC=C1 P61733 [1,1,0,0,0,0|0,0,0]=2 492 B10R1.17 NCCNC1=NC=CC=N1 P41447 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.17 NCCOC1=CC=CC=C1 P46889 [1,1,0,0,0,0|0,0,0]=2 494 B10R1.17 NCCOC1=CC=NC=C1 P46588 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.17 NCCOC1=NC=CC=C1 P43633 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [1,1,0,0,0,0|0,0,2]=4 497 B10R1.17 OCCCC1=CC=NC=C1 P46905 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.17 OCCCC1=NC=CC=C1 P62447 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.17 OCCCC1=NC=CC=C1 P7829 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.17 OCCSC1=NC=CC=C1 P46439 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [1,1,0,0,0,0|0,0,0]=2 502 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 B9123 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [0,1,0,0,1,0|1,0,1]=4 504 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [0,1,0,0,1,0|1,0,1]=4 505 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [0,1,0,0,1,0|1,0,1]=4 506 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [0,1,0,0,1,0|1,0,1]=4 507 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [0,1,0,0,1,0|1,0,1]=4 508 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [0,1,0,0,1,0|1,0,1]=4 509 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [0,1,0,0,1,0|1,0,1]=4 510 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [0,1,0,0,1,0|1,0,1]=4 511 B10R1.13 CC(C)C1=CC=C(Br)C=C1 B49963 [0,1,0,0,1,0|1,0,0]=3 512 B10R1.13 CC(C)C1=CC=C(N)C=C1 P69319 [0,1,0,0,1,0|1,0,0]=3 513 B10R1.13 CC(C)C1=CC=C(O)C=C1 P60863 [0,1,0,0,1,0|1,0,0]=3 514 B10R1.13 CC(C)C1=CC=C([Mg+])C=C1 P31759 [0,1,0,0,1,0|1,0,0]=3 515 B10R1.13 CC(C)C1=CN=C(Br)C=C1 B46728 [0,1,0,0,1,0|2,0,0]=4 516 B10R1.13 CC(C)C1=CN=C(N)C=C1 P24474 [0,1,0,0,1,0|2,0,0]=4 517 B10R1.13 CC(C)C1=NC=C(Br)C=C1 B32058 [0,1,0,0,1,0|2,0,0]=4 518 B10R1.13 CC(C)C1=NC=C(N)C=C1 A12160 [0,1,0,0,1,0|2,0,0]=4 519 B10R1.13 CC1=CC=C(C(=N)N)C=C1 M38078 [0,1,0,0,1,0|1,0,1]=4 520 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [0,1,0,0,1,0|1,0,0]=3 521 B10R1.13 CC1=CC=C(C(N)=O)C=C1 M39514 [0,1,0,0,1,0|1,0,1]=4 522 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [0,1,0,0,1,0|0,0,0]=2 523 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [0,1,0,0,1,0|0,0,0]=2 524 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [0,1,0,0,1,0|1,0,0]=3 525 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [0,1,0,0,1,0|2,0,0]=4 526 B10R1.13 CC1=CC=C([S@](N)=O)C=C1 M36646 [0,1,0,0,1,0|2,0,0]=4 527 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 M49667 [0,1,0,0,1,0|1,0,0]=3 528 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 H64312 [0,1,0,0,1,0|2,0,0]=4 529 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 C46751 [0,1,0,0,1,0|2,0,0]=4 530 B10R1.13 CN(C)C1=CC=C(I)C=C1 K46770 [0,1,0,0,1,0|2,0,0]=4 531 B10R1.13 CN(C)C1=CC=C([Mg+])C=C1 D31762 [0,1,0,0,1,0|2,0,0]=4 532 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 B38580 [0,1,0,0,1,0|0,0,0]=2 533 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 C64533 [0,1,0,0,1,0|0,0,0]=2 534 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F46766 [0,1,0,0,1,0|0,0,0]=2 535 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F49509 [0,1,0,0,1,0|0,0,0]=2 536 B10R1.13 C[C@@H](N)C1=CN=C(Br)C=C1 B63698 [0,1,0,0,1,0|1,0,0]=3 537 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 F46566 [0,1,0,0,1,0|1,0,0]=3 538 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 B49428 [0,1,0,0,1,0|1,0,0]=3 539 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 C49454 [0,1,0,0,1,0|1,0,0]=3 540 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 F49461 [0,1,0,0,1,0|1,0,0]=3 541 B10R1.13 C[C@H](Br)C1=CC=C(F)C=C1 B36983 [0,1,0,0,1,0|1,0,0]=3 542 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46724 [0,1,0,0,1,0|0,0,0]=2 543 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46735 [0,1,0,0,1,0|0,0,0]=2 544 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B65383 [0,1,0,0,1,0|0,0,0]=2 545 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F36974 [0,1,0,0,1,0|0,0,0]=2 546 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F64415 [0,1,0,0,1,0|0,0,0]=2 547 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46768 [0,1,0,0,1,0|0,0,0]=2 548 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46771 [0,1,0,0,1,0|0,0,0]=2 549 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 A46957 [0,1,0,0,1,0|0,0,0]=2 550 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46292 [0,1,0,0,1,0|1,0,0]=3 551 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46296 [0,1,0,0,1,0|1,0,0]=3 552 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F0635 [0,1,0,0,1,0|1,0,0]=3 553 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F46612 [0,1,0,0,1,0|1,0,0]=3 554 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 F14039 [0,1,0,0,1,0|2,0,0]=4 555 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 F29648 [0,1,0,0,1,0|2,0,0]=4 556 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 B49431 [0,1,0,0,1,0|1,0,0]=3 557 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49442 [0,1,0,0,1,0|1,0,0]=3 558 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49449 [0,1,0,0,1,0|1,0,0]=3 559 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 F49463 [0,1,0,0,1,0|1,0,0]=3 560 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [0,1,0,0,1,0|1,0,0]=3 561 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [0,1,0,0,1,0|2,0,0]=4 562 B10R1.13 FC(F)C1=CC=C(Cl)C=C1 C44732 [0,1,0,0,1,0|2,0,0]=4 563 B10R1.13 FC(F)C1=CC=C(I)C=C1 D44733 [0,1,0,0,1,0|2,0,0]=4 564 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 B45615 [0,1,0,0,1,0|1,0,1]=4 565 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 B45619 [0,1,0,0,1,0|1,0,1]=4 566 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 C45622 [0,1,0,0,1,0|1,0,1]=4 567 B10R1.13 N=C(N)C1=CC=C(F)C=C1 F46534 [0,1,0,0,1,0|1,0,1]=4 568 B10R1.13 N=C(N)C1=CC=C(F)C=C1 F9396 [0,1,0,0,1,0|1,0,1]=4 569 B10R1.13 N=C(N)C1=CC=C(N)C=C1 A4675 [0,1,0,0,1,0|1,0,1]=4 570 B10R1.13 N=C(N)C1=CC=C(O)C=C1 H46554 [0,1,0,0,1,0|1,0,1]=4 571 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 B45467 [0,1,0,0,1,0|1,0,1]=4 572 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C45478 [0,1,0,0,1,0|1,0,1]=4 573 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A37818 [0,1,0,0,1,0|1,0,1]=4 574 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 C64929 [0,1,0,0,1,0|1,0,1]=4 575 B10R1.13 NC(=S)C1=CC=C(O)C=C1 H39401 [0,1,0,0,1,0|1,0,1]=4 576 B10R1.13 NC1=CC=C(C(F)F)C=C1 D46546 [0,1,0,0,1,0|2,0,0]=4 577 B10R1.28 CC(C)(N)C1=CC=CC=C1 P32201 [0,1,0,0,1,0|0,0,0]=2 578 B10R1.28 CC(C)(N)C1=NC=CC=C1 P32222 [0,1,0,0,1,0|1,0,0]=3 579 B10R1.28 CC(C)(O)C1=CC=CC=C1 P24569 [0,1,0,0,1,0|1,0,0]=3 580 B10R1.28 CC(C)(O)C1=CN=CC=C1 P46904 [0,1,0,0,1,0|2,0,0]=4 581 B10R1.28 CC(C)(O)C1=NC=CC=C1 P38223 [0,1,0,0,1,0|2,0,0]=4 582 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 M39415 [0,1,0,0,1,0|2,0,0]=4 583 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 T68550 [0,1,0,0,1,0|2,0,0]=4 584 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 T69020 [0,1,0,0,1,0|2,0,0]=4 585 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 B69318 [0,1,0,0,1,0|2,0,0]=4 586 B10R1.61 C=C(C)C1=C(N)C=CC=C1 P49976 [0,1,0,0,1,0|1,0,1]=4 587 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 B48708 [0,1,0,0,1,0|1,0,1]=4 588 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [0,1,0,0,1,0|1,0,1]=4 589 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [0,1,0,0,1,0|1,0,1]=4 590 B10R1.61 CC(=O)C1=C(F)C=CC=C1 F69325 [0,1,0,0,1,0|1,0,1]=4 591 B10R1.61 CC(=O)C1=C(I)C=CC=C1 K48750 [0,1,0,0,1,0|1,0,1]=4 592 B10R1.61 CC(=O)C1=C(N)C=CC=C1 A49645 [0,1,0,0,1,0|1,0,1]=4 593 B10R1.61 CC(C)C1=C(Br)C=CC=C1 B49961 [0,1,0,0,1,0|1,0,0]=3 594 B10R1.61 CC(C)C1=C(I)C=CC=C1 K49972 [0,1,0,0,1,0|1,0,0]=3 595 B10R1.61 CC(C)C1=C(N)C=CN=C1 P46960 [0,1,0,0,1,0|2,0,0]=4 596 B10R1.61 CC(C)C1=C([Mg+])C=CC=C1 P31757 [0,1,0,0,1,0|1,0,0]=3 597 B10R1.61 CC(C)C1=CC=CN=C1Br B32081 [0,1,0,0,1,0|2,0,0]=4 598 B10R1.61 CC(C)C1=CC=CN=C1Cl C36678 [0,1,0,0,1,0|2,0,0]=4 599 B10R1.61 CC(C)C1=NC=CC=C1N P46959 [0,1,0,0,1,0|2,0,0]=4 600 B10R1.61 CC1=C(C(=N)N)C=CC=C1 M49487 [0,1,0,0,1,0|1,0,1]=4 601 B10R1.61 CC1=C(C(N)=S)C=CC=C1 M69080 [0,1,0,0,1,0|1,0,1]=4 602 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 T52160 [0,1,0,0,1,0|0,0,0]=2 603 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 T52162 [0,1,0,0,1,0|0,0,0]=2 604 B10R1.61 CN(C)C1=C(Br)C=CC=C1 B46731 [0,1,0,0,1,0|2,0,0]=4 605 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 C46747 [0,1,0,0,1,0|2,0,0]=4 606 B10R1.61 CN(C)C1=C(N)C=CC=C1 D68123 [0,1,0,0,1,0|2,0,0]=4 607 B10R1.61 CN(C)C1=C(O)C=CC=C1 D23348 [0,1,0,0,1,0|2,0,0]=4 608 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B37416 [0,1,0,0,1,0|0,0,0]=2 609 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B46741 [0,1,0,0,1,0|0,0,0]=2 610 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F46764 [0,1,0,0,1,0|0,0,0]=2 611 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F49507 [0,1,0,0,1,0|0,0,0]=2 612 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 B25268 [0,1,0,0,1,0|1,0,0]=3 613 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 C49446 [0,1,0,0,1,0|1,0,0]=3 614 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 F49460 [0,1,0,0,1,0|1,0,0]=3 615 B10R1.61 C[C@H](Br)C1=C(F)C=CC=C1 B48765 [0,1,0,0,1,0|1,0,0]=3 616 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B19470 [0,1,0,0,1,0|0,0,0]=2 617 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46723 [0,1,0,0,1,0|0,0,0]=2 618 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46742 [0,1,0,0,1,0|0,0,0]=2 619 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 C46756 [0,1,0,0,1,0|0,0,0]=2 620 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F46760 [0,1,0,0,1,0|0,0,0]=2 621 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F49510 [0,1,0,0,1,0|0,0,0]=2 622 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F64880 [0,1,0,0,1,0|0,0,0]=2 623 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 B49429 [0,1,0,0,1,0|1,0,0]=3 624 B10R1.61 C[C@H](O)C1=C(Br)C=CC=N1 B37274 [0,1,0,0,1,0|2,0,0]=4 625 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C49448 [0,1,0,0,1,0|1,0,0]=3 626 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C66089 [0,1,0,0,1,0|1,0,0]=3 627 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 F49462 [0,1,0,0,1,0|1,0,0]=3 628 B10R1.61 C[C@H](O)C1=C(F)C=NC=C1 F46213 [0,1,0,0,1,0|2,0,0]=4 629 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 A65242 [0,1,0,0,1,0|2,0,0]=4 630 B10R1.61 C[C@H](O)C1=CC=CN=C1Cl C46191 [0,1,0,0,1,0|2,0,0]=4 631 B10R1.61 FC(F)C1=C(Br)C=CC=C1 B67317 [0,1,0,0,1,0|2,0,0]=4 632 B10R1.61 N=C(N)C1=C(F)C=CC=C1 F46532 [0,1,0,0,1,0|1,0,1]=4 633 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 B61279 [0,1,0,0,1,0|1,0,1]=4 634 B10R1.61 NC(=O)C1=C(I)C=CC=C1 K45507 [0,1,0,0,1,0|1,0,1]=4 635 B10R1.61 NC(=O)C1=C(N)C=CC=C1 A64967 [0,1,0,0,1,0|1,0,1]=4 636 B10R1.61 OC1=C(C(F)F)C=CC=C1 D37751 [0,1,0,0,1,0|2,0,0]=4 637 B10R1.113 CC(=O)C1=CC(C)=CC=C1 T39528 [0,1,0,0,1,0|1,0,1]=4 638 B10R1.113 CC(=O)C1=CC(N)=CC=C1 A68568 [0,1,0,0,1,0|1,0,1]=4 639 B10R1.113 CC(=O)C1=CC(O)=CC=C1 H60763 [0,1,0,0,1,0|1,0,1]=4 640 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 C69069 [0,1,0,0,1,0|1,0,1]=4 641 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F48736 [0,1,0,0,1,0|1,0,1]=4 642 B10R1.113 CC(=O)C1=CC=CC(I)=C1 I37889 [0,1,0,0,1,0|1,0,1]=4 643 B10R1.113 CC(C)C1=CC(Br)=CN=C1 B32128 [0,1,0,0,1,0|2,0,0]=4 644 B10R1.113 CC(C)C1=CC(Br)=NC=C1 B46727 [0,1,0,0,1,0|2,0,0]=4 645 B10R1.113 CC(C)C1=CC=CC(Br)=C1 B49962 [0,1,0,0,1,0|1,0,0]=3 646 B10R1.113 CC(C)C1=CC=CC(Br)=N1 B46729 [0,1,0,0,1,0|2,0,0]=4 647 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 C37539 [0,1,0,0,1,0|2,0,0]=4 648 B10R1.113 CC(C)C1=CC=CC(N)=C1 P50307 [0,1,0,0,1,0|1,0,0]=3 649 B10R1.113 CC(C)C1=CC=CC([Mg+])=C1 P31758 [0,1,0,0,1,0|1,0,0]=3 650 B10R1.113 CC(C)C1=CN=CC(N)=C1 I32297 [0,1,0,0,1,0|2,0,0]=4 651 B10R1.113 CC(C)C1=NC=CC(Br)=C1 B63808 [0,1,0,0,1,0|2,0,0]=4 652 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 C39059 [0,1,0,0,1,0|2,0,0]=4 653 B10R1.113 CC1=CC=CC(C(=N)N)=C1 M49488 [0,1,0,0,1,0|1,0,1]=4 654 B10R1.113 CC1=CC=CC(N(C)C)=C1 T39548 [0,1,0,0,1,0|2,0,0]=4 655 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T50311 [0,1,0,0,1,0|0,0,0]=2 656 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T52159 [0,1,0,0,1,0|0,0,0]=2 657 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 T50309 [0,1,0,0,1,0|0,0,0]=2 658 B10R1.113 CN(C)C1=CC(N)=CC=C1 D49538 [0,1,0,0,1,0|2,0,0]=4 659 B10R1.113 CN(C)C1=CC(N)=CC=C1 D49665 [0,1,0,0,1,0|2,0,0]=4 660 B10R1.113 CN(C)C1=CC=CC(Br)=C1 B68052 [0,1,0,0,1,0|2,0,0]=4 661 B10R1.113 CN(C)C1=CC=CC(F)=C1 F46763 [0,1,0,0,1,0|2,0,0]=4 662 B10R1.113 CN(C)C1=CC=CC([Mg+])=C1 D31761 [0,1,0,0,1,0|2,0,0]=4 663 B10R1.113 C[C@@H](N)C1=CC(Br)=NC=C1 B46295 [0,1,0,0,1,0|1,0,0]=3 664 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 B46734 [0,1,0,0,1,0|0,0,0]=2 665 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=N1 B46291 [0,1,0,0,1,0|1,0,0]=3 666 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 F46765 [0,1,0,0,1,0|0,0,0]=2 667 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 F49508 [0,1,0,0,1,0|0,0,0]=2 668 B10R1.113 C[C@@H](N)C1=CC=CC(F)=N1 F46611 [0,1,0,0,1,0|1,0,0]=3 669 B10R1.113 C[C@@H](N)C1=CC=CC(O)=C1 A49524 [0,1,0,0,1,0|0,0,0]=2 670 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 C49447 [0,1,0,0,1,0|1,0,0]=3 671 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 C13483 [0,1,0,0,1,0|1,0,0]=3 672 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 F46567 [0,1,0,0,1,0|1,0,0]=3 673 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B46739 [0,1,0,0,1,0|0,0,0]=2 674 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B46743 [0,1,0,0,1,0|0,0,0]=2 675 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B64158 [0,1,0,0,1,0|0,0,0]=2 676 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 C46299 [0,1,0,0,1,0|1,0,0]=3 677 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 F46761 [0,1,0,0,1,0|0,0,0]=2 678 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 F49511 [0,1,0,0,1,0|0,0,0]=2 679 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 F46568 [0,1,0,0,1,0|1,0,0]=3 680 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 A46961 [0,1,0,0,1,0|0,0,0]=2 681 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 A64155 [0,1,0,0,1,0|0,0,0]=2 682 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 A64991 [0,1,0,0,1,0|0,0,0]=2 683 B10R1.113 C[C@H](O)C1=CC(N)=CC=C1 A46893 [0,1,0,0,1,0|1,0,0]=3 684 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 B49430 [0,1,0,0,1,0|1,0,0]=3 685 B10R1.113 C[C@H](O)C1=CC=CC(Br)=N1 B37443 [0,1,0,0,1,0|2,0,0]=4 686 B10R1.113 C[C@H](O)C1=NC=CC(Cl)=C1 C46192 [0,1,0,0,1,0|2,0,0]=4 687 B10R1.113 FC(F)C1=CC=CC(Br)=C1 B44723 [0,1,0,0,1,0|2,0,0]=4 688 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 B45618 [0,1,0,0,1,0|1,0,1]=4 689 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 C69433 [0,1,0,0,1,0|1,0,1]=4 690 B10R1.113 N=C(N)C1=CC=CC(F)=C1 F46533 [0,1,0,0,1,0|1,0,1]=4 691 B10R1.113 NC(=O)C1=CC(O)=CC=C1 H45813 [0,1,0,0,1,0|1,0,1]=4 692 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 B45466 [0,1,0,0,1,0|1,0,1]=4 693 B10R1.113 NC(=O)C1=CC=CC(F)=C1 F45492 [0,1,0,0,1,0|1,0,1]=4 694 B10R1.27 N[C@H](CO)CC1=CNC=N1 A43557 [0,1,0,0,1,0|2,0,0]=4 695 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [0,1,0,0,0,1|1,0,1]=4 696 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [0,1,0,0,0,1|1,0,1]=4 697 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [0,1,0,0,0,1|1,0,1]=4 698 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B53141 [0,1,0,0,0,1|1,0,0]=3 699 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B67328 [0,1,0,0,0,1|1,0,0]=3 700 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 B53085 [0,1,0,0,0,1|1,0,0]=3 701 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 B53140 [0,1,0,0,0,1|1,0,0]=3 702 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B67680 [0,1,0,0,0,1|1,0,1]=4 703 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B68841 [0,1,0,0,0,1|1,0,1]=4 704 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [0,1,0,0,0,1|1,0,1]=4 705 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 B68284 [0,1,0,0,0,1|1,0,1]=4 706 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [0,1,0,0,0,1|1,0,1]=4 707 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [0,1,0,0,0,1|1,0,1]=4 708 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 A54150 [0,1,0,0,0,1|0,0,0]=2 709 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [0,1,0,0,0,1|1,0,1]=4 710 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,1,0,0,0,1|1,0,1]=4 711 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [0,1,0,0,0,1|1,0,1]=4 712 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [0,1,0,0,0,1|1,0,1]=4 713 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 M63385 [0,1,0,0,0,1|1,0,0]=3 714 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 A53182 [0,1,0,0,0,1|2,0,0]=4 715 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 P65387 [0,1,0,0,0,1|1,0,1]=4 716 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 P65388 [0,1,0,0,0,1|1,0,1]=4 717 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [0,1,0,0,0,1|1,0,1]=4 718 B12R1.891 CC(C)(O)C#CC1=CC=CC=C1 M38248 [0,1,0,0,0,1|1,0,1]=4 719 B12R1.891 NS(=O)(=O)NCC1=CC=CC=C1 S66770 [0,1,0,0,0,1|2,0,0]=4 720 B12R1.4 CC(C)OC1=CC=C(C#N)C=C1 P63801 [0,2,0,0,0,0|2,0,0]=4 721 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 P52789 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.4 CC(C)OC1=CC=C(NN)C=C1 P52189 [0,2,0,0,0,0|2,0,0]=4 723 B12R1.4 CN(C)CC1=CC=C(C#N)C=C1 D52684 [0,2,0,0,0,0|2,0,0]=4 724 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 A54206 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 M39603 [0,2,0,0,0,0|1,0,1]=4 726 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 M50047 [0,2,0,0,0,0|1,0,1]=4 727 B12R1.19 CC1=CC(CC(C)C)=NC=C1N B53180 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)C=C1 C52670 [0,2,0,0,0,0|1,0,1]=4 729 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 B53066 [0,2,0,0,0,0|1,0,0]=3 730 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 C53070 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.20 CC(C)[S@](=O)C1=CC=C(Br)C=C1 B50158 [0,2,0,0,0,0|2,0,0]=4 732 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 M55525 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(Br)C=C1 B68482 [0,2,0,0,0,0|1,0,1]=4 734 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(O)C=C1 B51910 [0,2,0,0,0,0|1,0,1]=4 735 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 M7569 [0,2,0,0,0,0|1,0,1]=4 736 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 M51915 [0,2,0,0,0,0|1,0,1]=4 737 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 M51939 [0,2,0,0,0,0|1,0,1]=4 738 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 M63040 [0,2,0,0,0,0|1,0,1]=4 739 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 M23468 [0,2,0,0,0,0|1,0,1]=4 740 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M67394 [0,2,0,0,0,0|1,0,1]=4 741 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 F49198 [0,2,0,0,0,0|1,0,1]=4 742 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 A52152 [0,2,0,0,0,0|0,0,0]=2 743 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 A69484 [0,2,0,0,0,0|0,0,0]=2 744 B12R1.106 CC(C)(C)OC1=CC=C(Br)C=C1 B53015 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.106 CC(C)(O)CC1=CC=C(Cl)C=C1 C53019 [0,2,0,0,0,0|1,0,0]=3 746 B12R1.106 NC1=CC=C(CC(F)(F)F)C=C1 T48890 [0,2,0,0,0,0|2,0,0]=4 747 B12R1.233 CC(=O)CC1=C(Br)C=C(Cl)C=C1 B51652 [0,2,0,0,0,0|1,0,1]=4 748 B12R1.233 CC(=O)CC1=C(F)C=C(F)C=C1 D37777 [0,2,0,0,0,0|1,0,1]=4 749 B12R1.233 CC(C)OC1=C(Cl)C=C(Br)C=C1 B49958 [0,2,0,0,0,0|2,0,0]=4 750 B12R1.233 CC(C)OC1=C(N)C=C(Br)C=C1 B50253 [0,2,0,0,0,0|2,0,0]=4 751 B12R1.233 C[C@H](O)CC1=C(F)C=C(F)C=C1 D37207 [0,2,0,0,0,0|1,0,0]=3 752 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 M52118 [0,2,0,0,0,0|1,0,1]=4 753 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 M60693 [0,2,0,0,0,0|1,0,1]=4 754 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 M52797 [0,2,0,0,0,0|1,0,1]=4 755 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M68802 [0,2,0,0,0,0|1,0,1]=4 756 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M69157 [0,2,0,0,0,0|1,0,1]=4 757 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 M69044 [0,2,0,0,0,0|1,0,1]=4 758 B12R1.124 CC(C)C(=O)C1=C(F)C=CC=C1 F63717 [0,2,0,0,0,0|1,0,1]=4 759 B12R1.124 C[C@H](Br)C(=O)C1=C(Cl)C=CC=C1 B51651 [0,2,0,0,0,0|1,0,1]=4 760 B12R1.225 CC(C)[C@@H](N)C1=CC=CC(Cl)=C1 C53069 [0,2,0,0,0,0|1,0,0]=3 761 B12R1.225 CC(C)[C@@H](N)C1=CC=CC(Cl)=C1 C53071 [0,2,0,0,0,0|1,0,0]=3 762 B12R1.225 C[C@H](C1=CC=CC(O)=C1)N(C)C D53145 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.478 N#C[C@@H](C(N)=O)C1=CC=CC=C1 C51349 [0,2,0,0,0,0|1,0,1]=4 764 B12R1.564 CC(C)(C)[C@@H](N)C1=CC=CC=C1 D55526 [0,2,0,0,0,0|1,0,0]=3 765 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CC=C1 D38881 [0,2,0,0,0,0|1,0,0]=3 766 B12R1.564 N[C@H](C1=CC=CC=C1)C(F)(F)F T48896 [0,2,0,0,0,0|2,0,0]=4 767 B12R1.564 O[C@@H](C1=CC=CC=C1)C(F)(F)F T48748 [0,2,0,0,0,0|2,0,0]=4 768 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [0,2,0,0,0,0|1,0,1]=4 769 B12R1.32 CN(CCO)CC1=CC=CC=C1 B39619 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.50 COC(=O)CC1=CC(C)=CC=C1 M62750 [0,2,0,0,0,0|1,0,1]=4 771 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M50058 [0,2,0,0,0,0|1,0,1]=4 772 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M52112 [0,2,0,0,0,0|1,0,1]=4 773 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 M49922 [0,2,0,0,0,0|1,0,1]=4 774 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 M51891 [0,2,0,0,0,0|1,0,1]=4 775 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 M51916 [0,2,0,0,0,0|1,0,1]=4 776 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 M51938 [0,2,0,0,0,0|1,0,1]=4 777 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 A50259 [0,2,0,0,0,0|0,0,0]=2 778 B12R1.118 CCN(CC)CC1=CC=CC=C1 B60762 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 M39108 [0,2,0,0,0,0|0,0,0]=2 780 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 A53136 [0,2,0,0,0,0|0,0,0]=2 781 B12R1.118 OCC(CO)CC1=CC=CC=C1 B66122 [0,2,0,0,0,0|1,0,0]=3 782 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 D60075 [0,2,0,0,0,0|1,0,0]=3 783 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 M51890 [0,2,0,0,0,0|1,0,1]=4 784 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 M62751 [0,2,0,0,0,0|1,0,1]=4 785 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 C61032 [0,2,0,0,0,0|1,0,1]=4 786 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M50057 [0,2,0,0,0,0|1,0,1]=4 787 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M52111 [0,2,0,0,0,0|1,0,1]=4 788 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 M37939 [0,2,0,0,0,0|1,0,1]=4 789 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 A50258 [0,2,0,0,0,0|0,0,0]=2 790 B12R1.75 C=CC1=C(OC(C)C)C=CC=C1 P54756 [0,2,0,0,0,0|2,0,0]=4 791 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 M69051 [0,2,0,0,0,0|1,0,1]=4 792 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 M66295 [0,2,0,0,0,0|1,0,1]=4 793 B12R1.127 CC(C)OC1=C(Cl)C=CC(Br)=C1 B49957 [0,2,0,0,0,0|2,0,0]=4 794 B12R1.127 CC(C)OC1=C(N)C=CC(F)=C1 F28703 [0,2,0,0,0,0|2,0,0]=4 795 B12R1.127 CC1=C(OC(C)C)C=C(N)C=C1 P54195 [0,2,0,0,0,0|2,0,0]=4 796 B12R1.151 CC(C)(C)NC1=C(N)C=CC=C1 B53181 [0,2,0,0,0,0|2,0,0]=4 797 B12R1.151 CC(C)(C)SC1=C(N)C=CC=C1 B53167 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.151 CS(=O)(=O)CC1=C(Br)C=CC=C1 B49383 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.101 CC(C)OC1=CC(Br)=CC(Br)=C1 D49956 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.119 CC(C)(O)CC1=CC=CC(Br)=N1 B50256 [0,2,0,0,0,0|2,0,0]=4 801 B12R1.438 CC(=O)CC1=CC(C#N)=CC=C1 X65528 [0,2,0,0,0,0|1,0,1]=4 802 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 M52801 [0,2,0,0,0,0|1,0,1]=4 803 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P68601 [1,0,0,1,0,0|1,0,0]=3 804 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P68362 [1,0,0,1,0,0|1,0,0]=3 805 B10R2.6 C1=CN=C(C2CC2)N=C1 C14647 [1,0,0,1,0,0|2,0,0]=4 806 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [1,0,0,1,0,0|1,0,0]=3 807 B10R2.7 C1=CC2=C(C=C1)NC=N2 B69282 [1,0,0,1,0,0|1,0,1]=4 808 B10R2.7 C1=CC2=C(C=C1)NN=C2 I14459 [1,0,0,1,0,0|1,0,1]=4 809 B10R2.7 C1=CC2=C(C=C1)NN=N2 B38421 [1,0,0,1,0,0|2,0,0]=4 810 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [1,0,0,1,0,0|1,0,0]=3 811 B10R2.7 C1=CC2=C(C=C1)OCO2 B69389 [1,0,0,1,0,0|2,0,0]=4 812 B10R2.7 C1=CC2=C(C=C1)SCS2 B61366 [1,0,0,1,0,0|2,0,0]=4 813 B10R2.7 C1=CC2=C(C=N1)CNC2 D3869 [1,0,0,1,0,0|2,0,0]=4 814 B10R2.7 C1=CC2=C(C=N1)COC2 D46549 [1,0,0,1,0,0|2,0,0]=4 815 B10R2.7 C1=CC2=C(C=N1)NCC2 D36872 [1,0,0,1,0,0|1,0,0]=3 816 B10R2.7 C1=CC2=C(C=N1)NCC2 D46553 [1,0,0,1,0,0|1,0,0]=3 817 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [1,0,0,1,0,0|1,0,0]=3 818 B10R2.7 C1=CN=C2CNCC2=C1 D12180 [1,0,0,1,0,0|2,0,0]=4 819 B10R2.7 C1=CN=C2CNCC2=C1 D3602 [1,0,0,1,0,0|2,0,0]=4 820 B10R2.7 C1=CN=C2NCCC2=C1 D0150 [1,0,0,1,0,0|1,0,0]=3 821 B10R2.7 C1=CN=C2NCCC2=C1 D65478 [1,0,0,1,0,0|1,0,0]=3 822 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 B68954 [1,0,0,1,0,0|1,0,0]=3 823 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [1,0,0,1,0,0|1,0,1]=4 824 B12R2.22 NC1CC(C2=CC=CC=C2)C1 P15206 [0,0,0,1,0,1|0,0,0]=2 825 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 P11821 [0,0,0,1,0,1|0,0,0]=2 826 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [0,0,0,1,0,1|1,0,1]=4 827 B12R2.22 OC1CN(C2=CC=CC=C2)C1 H14395 [0,0,0,1,0,1|1,0,0]=3 828 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [0,0,0,1,0,1|1,0,0]=3 829 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [0,0,0,1,0,1|0,0,0]=2 830 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [0,0,0,1,0,1|0,0,0]=2 831 B12R2.24 N[C@@H]1CNC2=C(C=CC=C2)C1 T50166 [0,0,0,1,0,1|0,0,0]=2 832 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [0,0,0,1,0,1|0,0,0]=2 833 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [0,0,0,1,0,1|0,0,0]=2 834 B12R2.24 N[C@H]1CCC2=CC=CN=C2C1 T37224 [0,0,0,1,0,1|1,0,0]=3 835 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [0,0,0,1,0,1|1,0,1]=4 836 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [0,0,0,1,0,1|1,0,1]=4 837 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [0,0,0,1,0,1|1,0,1]=4 838 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 D48807 [0,0,0,1,0,1|1,0,1]=4 839 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 T60427 [0,0,0,1,0,1|1,0,0]=3 840 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [0,0,0,1,0,1|1,0,0]=3 841 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 G49884 [0,0,0,1,0,1|1,0,0]=3 842 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 D15351 [0,0,0,1,0,1|1,0,0]=3 843 B12R2.2403 CC1(C)CNC2=NC=CC=C21 D20524 [0,0,0,1,0,1|2,0,0]=4 844 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 D10522 [0,0,0,1,0,1|1,0,0]=3 845 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(O)C=C2 A29485 [0,1,0,1,0,0|0,0,0]=2 846 B12R2.606 CC1=CC2=C(C=C(Br)C=C2)N1 B24529 [0,1,0,1,0,0|0,0,2]=4 847 B12R2.606 CC1=CC2=C(C=C(Cl)C=C2)N1 C24527 [0,1,0,1,0,0|0,0,2]=4 848 B12R2.606 CC1=CC2=C(C=C(F)C=C2)N1 F23531 [0,1,0,1,0,0|0,0,2]=4 849 B12R2.606 CC1=CC2=C(C=C(I)C=C2)N1 I18181 [0,1,0,1,0,0|0,0,2]=4 850 B12R2.606 CC1=CC2=C(C=C(N)C=C2)N1 M13891 [0,1,0,1,0,0|0,0,2]=4 851 B12R2.606 CC1=CC2=C(C=C(O)C=C2)N1 M24189 [0,1,0,1,0,0|0,0,2]=4 852 B12R2.606 CC1=CC2=C(C=C1)C=C(C)N2 D52503 [0,1,0,1,0,0|0,0,2]=4 853 B12R2.606 CC1=CC2=C(C=C1)CC(=O)N2 M24288 [0,1,0,1,0,0|1,0,1]=4 854 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 M51752 [0,1,0,1,0,0|1,0,1]=4 855 B12R2.606 CC1=CC2=C(C=C1)NC(C)=C2 D17352 [0,1,0,1,0,0|0,0,2]=4 856 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)N1 B16417 [0,1,0,1,0,0|0,0,2]=4 857 B12R2.606 CC1=CC2=C(C=CC(Cl)=C2)N1 C16418 [0,1,0,1,0,0|0,0,2]=4 858 B12R2.606 CC1=CC2=C(C=CC(F)=C2)N1 F12894 [0,1,0,1,0,0|0,0,2]=4 859 B12R2.606 CC1=CC2=C(C=CC(O)=C2)N1 M18691 [0,1,0,1,0,0|0,0,2]=4 860 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)N1 B38068 [0,1,0,1,0,0|1,0,1]=4 861 B12R2.606 CC1=NC2=C(C=CC(F)=C2)N1 F48344 [0,1,0,1,0,0|1,0,1]=4 862 B12R2.606 CC1=NC2=C(C=CC(I)=C2)N1 K48348 [0,1,0,1,0,0|1,0,1]=4 863 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 M49203 [0,1,0,1,0,0|1,0,1]=4 864 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 M49624 [0,1,0,1,0,0|1,0,1]=4 865 B12R2.606 CC1=NC2=C(C=CC(O)=C2)N1 M48808 [0,1,0,1,0,0|1,0,1]=4 866 B12R2.606 CN1CC2=C(C=C(N)C=C2)C1 M52247 [0,1,0,1,0,0|2,0,0]=4 867 B12R2.606 C[C@H]1CC2=C(C=CC(F)=C2)N1 F38745 [0,1,0,1,0,0|0,0,0]=2 868 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 A12202 [0,1,0,1,0,0|1,0,1]=4 869 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 A0306 [0,1,0,1,0,0|1,0,1]=4 870 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 A49612 [0,1,0,1,0,0|1,0,1]=4 871 B12R2.606 N[C@H]1CC2=C(C=C(Br)C=C2)C1 B67543 [0,1,0,1,0,0|0,0,0]=2 872 B12R2.606 N[C@H]1CC2=CC(Br)=CN=C2C1 B62941 [0,1,0,1,0,0|1,0,0]=3 873 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 B51311 [0,1,0,1,0,0|1,0,1]=4 874 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 B9533 [0,1,0,1,0,0|1,0,1]=4 875 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 C51319 [0,1,0,1,0,0|1,0,1]=4 876 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 C24287 [0,1,0,1,0,0|1,0,1]=4 877 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 F24289 [0,1,0,1,0,0|1,0,1]=4 878 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 K61888 [0,1,0,1,0,0|1,0,1]=4 879 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 B0214 [0,1,0,1,0,0|1,0,1]=4 880 B12R2.606 O=C1CC2=C(C=CC(F)=C2)N1 F28486 [0,1,0,1,0,0|1,0,1]=4 881 B12R2.606 O[C@H]1CC2=C(C=C(Br)C=C2)C1 B52018 [0,1,0,1,0,0|1,0,0]=3 882 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 D68340 [0,1,0,1,0,0|0,0,2]=4 883 B12R2.18 CC1=CC2=C(C=CC=C2)N1C D26007 [0,1,0,1,0,0|0,0,2]=4 884 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 M38994 [0,1,0,1,0,0|0,0,2]=4 885 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 M61297 [0,1,0,1,0,0|1,0,1]=4 886 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [0,1,0,1,0,0|1,0,0]=3 887 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O A18987 [0,1,0,1,0,0|1,0,0]=3 888 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O A10679 [0,1,0,1,0,0|1,0,0]=3 889 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [0,1,0,1,0,0|1,0,1]=4 890 B12R2.2075 O[C@H](C1=CN=CC=C1)C2CC2 A50027 [0,1,0,1,0,0|2,0,0]=4 891 B12R2.27 OCC1CC1C2=CC=CC=C2 P52781 [0,1,0,1,0,0|1,0,0]=3 892 B12R2.32 C#CC1CC2=C(C=CC=C2)C1 E64385 [0,1,0,1,0,0|1,0,0]=3 893 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 E52501 [0,1,0,1,0,0|0,0,2]=4 894 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 E37955 [0,1,0,1,0,0|1,0,1]=4 895 B12R2.32 CNC1=NC2=C(C=CC=C2)N1 M49208 [0,1,0,1,0,0|1,0,1]=4 896 B12R2.32 CNC1CC2=C(C=CC=C2)C1 M62130 [0,1,0,1,0,0|0,0,0]=2 897 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 C48331 [0,1,0,1,0,0|1,0,1]=4 898 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 K22314 [0,1,0,1,0,0|0,0,2]=4 899 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 B49625 [0,1,0,1,0,0|1,0,1]=4 900 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 B49689 [0,1,0,1,0,0|1,0,1]=4 901 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 B9950 [0,1,0,1,0,0|1,0,1]=4 902 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 M9932 [0,1,0,1,0,0|0,0,2]=4 903 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 B28661 [0,1,0,1,0,0|1,0,1]=4 904 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 D15699 [0,1,0,1,0,0|0,0,0]=2 905 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 D49898 [0,1,0,1,0,0|1,0,0]=3 906 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 P11527 [0,1,0,1,0,0|1,0,0]=3 907 B12R2.95 O=S1(=O)CC2=C(C=CC=C2)N1 D45828 [0,1,0,1,0,0|2,0,0]=4 908 B12R2.202 CC1=CC2=C(Br)C=CC=C2N1 B24528 [0,1,0,1,0,0|0,0,2]=4 909 B12R2.202 CC1=CC2=C(O)C=CC=C2N1 M23244 [0,1,0,1,0,0|0,0,2]=4 910 B12R2.202 CC1=CC2=CC=CC(Br)=C2C1 B10696 [0,1,0,1,0,0|1,0,1]=4 911 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 M51751 [0,1,0,1,0,0|1,0,1]=4 912 B12R2.202 CC1=CC=CC2=C1NC(C)=N2 D63300 [0,1,0,1,0,0|1,0,1]=4 913 B12R2.202 CC1=NC2=C(Br)C=CC=C2N1 B48311 [0,1,0,1,0,0|1,0,1]=4 914 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 A48794 [0,1,0,1,0,0|1,0,1]=4 915 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 B2074 [0,1,0,1,0,0|1,0,1]=4 916 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 H48455 [0,1,0,1,0,0|1,0,1]=4 917 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 C22284 [0,1,0,1,0,0|1,0,1]=4 918 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 F48095 [0,1,0,1,0,0|1,0,1]=4 919 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 B10978 [0,1,0,1,0,0|1,0,1]=4 920 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 B12492 [0,1,0,1,0,0|1,0,1]=4 921 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 F48096 [0,1,0,1,0,0|1,0,1]=4 922 B12R2.202 O[C@H]1CC2=CC=CC(Br)=C2C1 B18025 [0,1,0,1,0,0|1,0,0]=3 923 B12R2.1286 FC1=CC(OC2CC2)=CC=C1 C62726 [0,1,0,1,0,0|2,0,0]=4 924 B8R1.8 CCCC1=CC=CS1 P43744 [1,0,0,0,1,0|1,0,0]=3 925 B8R1.8 CCCC1=NC=CN1 P68616 [1,0,0,0,1,0|2,0,0]=4 926 B8R1.8 CCCC1=NC=CS1 P43394 [1,0,0,0,1,0|2,0,0]=4 927 B8R1.8 CNCC1=CC=CS1 M43398 [1,0,0,0,1,0|2,0,0]=4 928 B8R1.8 CNCC1=CSC=C1 M43396 [1,0,0,0,1,0|2,0,0]=4 929 B8R1.8 NCCC1=CC=CS1 T12818 [1,0,0,0,1,0|1,0,0]=3 930 B8R1.8 NCCC1=CN=CS1 T41396 [1,0,0,0,1,0|2,0,0]=4 931 B8R1.8 NCCC1=CSC=C1 T1049 [1,0,0,0,1,0|1,0,0]=3 932 B8R1.8 NCCC1=CSC=C1 T10491 [1,0,0,0,1,0|1,0,0]=3 933 B8R1.8 NCCC1=NC=CN1 K41400 [1,0,0,0,1,0|2,0,0]=4 934 B8R1.8 NCCN1C=CC=C1 P41427 [1,0,0,0,1,0|1,0,0]=3 935 B8R1.8 NCCN1C=CN=C1 K41369 [1,0,0,0,1,0|2,0,0]=4 936 B8R1.8 NCCN1C=CN=C1 K41399 [1,0,0,0,1,0|2,0,0]=4 937 B8R1.8 NNCC1=CC=CS1 H13973 [1,0,0,0,1,0|2,0,0]=4 938 B8R1.8 NNCC1=CSC=C1 H13972 [1,0,0,0,1,0|2,0,0]=4 939 B8R1.8 OCCC1=CC=CS1 T12817 [1,0,0,0,1,0|2,0,0]=4 940 B8R1.8 OCCC1=CSC=C1 T12832 [1,0,0,0,1,0|2,0,0]=4 941 B8R1.7 CC(C)C1=CC=CO1 P43710 [0,0,0,0,2,0|2,0,0]=4 942 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [0,0,0,0,2,0|1,0,0]=3 943 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [0,0,0,0,2,0|2,0,0]=4 944 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [0,0,0,0,2,0|1,0,0]=3 945 B8R1.7 C[C@H](N)C1=CN=CN1 K62106 [0,0,0,0,2,0|2,0,0]=4 946 B8R1.7 C[C@H](N)C1=CNC=N1 K41398 [0,0,0,0,2,0|2,0,0]=4 947 B8R1.7 C[C@H](N)C1=NC=CS1 T41204 [0,0,0,0,2,0|2,0,0]=4 948 B8R1.7 C[C@H](N)C1=NC=CS1 T5352 [0,0,0,0,2,0|2,0,0]=4 949 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [0,0,0,0,0,2|1,0,1]=4 950 B12R1.252 CC(C)OCCC1=NC=CC=C1 P63699 [0,0,0,0,0,2|2,0,0]=4 951 B12R1.252 CN(C)CCOC1=CC=CC=C1 D53142 [0,0,0,0,0,2|2,0,0]=4 952 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 B37631 [0,0,0,0,0,2|1,0,0]=3