0 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.17 C=COCC1=CC=CC=C1 B26636 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.17 CCCCC1=CC=NC=C1 B50306 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.17 CCCOC1=CC=CC=C1 P50263 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.17 CCNCC1=CC=CC=C1 B39547 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.17 CCNCC1=NC=CC=C1 P46970 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.17 CCOCC1=CC=CC=C1 E50267 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.17 CNCCC1=CC=CN=C1 M46974 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.17 ClCC#CC1=CC=CC=C1 C51043 [0,0,0,0,0,0|1,0,3]=4 13 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.17 NCCCC1=CC=NC=C1 P46966 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.17 NCCNC1=CC=CC=C1 P61733 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.17 NCCOC1=CC=CC=C1 P46889 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.17 NCCOC1=CC=NC=C1 P46588 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.17 NCCOC1=NC=CC=C1 P43633 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [0,0,0,0,0,0|0,0,2]=2 22 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [0,0,0,0,0,0|0,0,4]=4 23 B10R1.17 OCCCC1=CC=NC=C1 P46905 [0,0,0,0,0,0|1,0,2]=3 24 B10R1.17 OCCCC1=NC=CC=C1 P62447 [0,0,0,0,0,0|1,0,2]=3 25 B10R1.17 OCCCC1=NC=CC=C1 P7829 [0,0,0,0,0,0|1,0,2]=3 26 B10R1.17 OCCSC1=NC=CC=C1 P46439 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [0,0,0,0,0,0|1,0,1]=2 28 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 B9123 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.17 [N-]=[N+]=NCC1=NC=CC=C1 A8446 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.8 BrCCC1=CC=NC=C1 B46088 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 CC#CC1=CC=CC=C1 P68608 [1,0,0,0,0,0|0,0,3]=4 32 B9R1.8 CCCC1=NC=CC=C1 P46859 [1,0,0,0,0,0|1,0,1]=3 33 B9R1.8 CCCC1=NC=CN=C1 P43598 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 CCOC1=NC=CC=C1 E46369 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.8 CNCC1=CC=NC=C1 M43623 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.8 CNNC1=CC=CC=C1 M46459 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 COCC1=NC=CC=C1 M46377 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [1,0,0,0,0,0|1,0,1]=3 39 B9R1.8 IC#CC1=CC=CC=C1 I1886 [1,0,0,0,0,0|1,0,2]=4 40 B9R1.8 N#CCC1=CN=CC=C1 P38543 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.8 N#CCC1=NC=CC=C1 P45196 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.8 N#COC1=CC=CC=C1 P44923 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.8 NCCC1=CC=CN=C1 P43605 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 NCCC1=NC=CC=C1 P67673 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 NCCC1=NC=NC=C1 P14666 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.8 NCCC1=NC=NC=C1 P29961 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.8 NNCC1=CC=CC=C1 B6123 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.8 NNCC1=CC=CC=C1 B68081 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 NNCC1=CC=CN=C1 H0097 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.8 NNCC1=CC=CN=C1 H36962 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.8 NNCC1=CC=NC=C1 H0096 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.8 NNCC1=CC=NC=C1 H26285 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.8 NNCC1=NC=CC=C1 H0098 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.8 NOCC1=CC=CC=C1 B68114 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.8 O=C=NC1=NC=CC=C1 C64750 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.8 O=COC1=CC=CC=C1 P45508 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.8 OCCC1=CC=NC=C1 H46381 [1,0,0,0,0,0|1,0,1]=3 58 B9R1.8 OCCC1=CN=CC=C1 P46376 [1,0,0,0,0,0|1,0,1]=3 59 B9R1.8 OCCC1=NC=CN=C1 P24824 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.8 ONCC1=CC=CC=C1 B36744 [1,0,0,0,0,0|1,0,1]=3 61 B9R1.8 ONCC1=CC=CC=C1 B46575 [1,0,0,0,0,0|1,0,1]=3 62 B9R1.8 O\N=C\C1=CC=CC=C1 B61148 [1,0,0,0,0,0|1,0,2]=4 63 B9R1.8 S=C=NC1=CC=CC=C1 T64712 [1,0,0,0,0,0|1,1,1]=4 64 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [1,0,0,0,0,0|1,0,1]=3 65 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [1,0,0,0,0,0|1,0,0]=2 66 B11R1.1 BrCCCC1=CC=C(Br)C=C1 B49699 [0,1,0,0,0,0|1,0,1]=3 67 B11R1.1 CC1=CC=C(CN=[N+]=[N-])C=C1 A9118 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 T52412 [0,1,0,0,0,0|0,0,2]=3 69 B11R1.1 CCCCC1=CC=C(Br)C=C1 B68752 [0,1,0,0,0,0|1,0,1]=3 70 B11R1.1 CCCCC1=CC=C(N)C=C1 B39618 [0,1,0,0,0,0|1,0,1]=3 71 B11R1.1 CCCCC1=CC=C([Mg+])C=C1 B31783 [0,1,0,0,0,0|1,0,1]=3 72 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54075 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54252 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.1 CCNCC1=CC=C(Br)C=C1 E50225 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.1 CCNCC1=CC=C(C)C=C1 M53114 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.1 CCNCC1=CC=C(Cl)C=C1 E50238 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.1 COCCC1=CC=C(O)C=C1 H67272 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.1 ClC1=CC=C(CCCBr)C=C1 B49700 [0,1,0,0,0,0|1,0,1]=3 79 B11R1.1 ClCCOC1=CC=C(Cl)C=C1 C49149 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.1 FC1=CC=C(CCCI)C=C1 F49704 [0,1,0,0,0,0|1,0,1]=3 81 B11R1.1 FC1=CC=C(OCCBr)C=C1 B49139 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.1 N#CCCC1=CC=C(Br)C=C1 B51452 [0,1,0,0,0,0|1,0,1]=3 83 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 C15567 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.1 NCCCC1=CC=C(Cl)C=C1 C50240 [0,1,0,0,0,0|1,0,1]=3 85 B11R1.1 NCCCC1=CC=C(F)C=C1 F52144 [0,1,0,0,0,0|1,0,1]=3 86 B11R1.1 NCCOC1=CC=C(F)C=C1 F46812 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.1 NCCOC1=CC=C(F)C=C1 F49512 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.1 O=CC=CC1=CC=C(F)C=C1 F51323 [0,1,0,0,0,0|0,0,2]=3 89 B11R1.1 O=CCCC1=CC=C(Br)C=C1 B52022 [0,1,0,0,0,0|0,0,0]=1 90 B11R1.1 O=CCCC1=CC=C(O)C=C1 H60513 [0,1,0,0,0,0|0,0,0]=1 91 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 B51314 [0,1,0,0,0,0|0,0,2]=3 92 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 C51321 [0,1,0,0,0,0|0,0,2]=3 93 B11R1.1 OCCCC1=CC=C(Br)C=C1 B37932 [0,1,0,0,0,0|0,0,2]=3 94 B11R1.1 OCCCC1=CC=C(Cl)C=C1 C50159 [0,1,0,0,0,0|0,0,2]=3 95 B11R1.1 OCCCC1=CC=C(O)C=C1 H37679 [0,1,0,0,0,0|0,0,2]=3 96 B11R1.1 [N-]=[N+]=NCC1=CC=C(Br)C=C1 A9122 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.1 [N-]=[N+]=NCC1=CC=C(Cl)C=C1 A9120 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.1 [N-]=[N+]=NCC1=CC=C(F)C=C1 A9119 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 P54139 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P68339 [0,1,0,0,0,0|1,0,2]=4 101 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [0,1,0,0,0,0|1,0,1]=3 102 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P37698 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P52255 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.16 CN(CCN)C1=CC=CC=C1 M52257 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.16 CN(CCO)C1=CC=CC=C1 M50351 [0,1,0,0,0,0|1,0,2]=4 106 B11R1.16 N#CCC(=O)C1=CC=CC=C1 X67635 [0,1,0,0,0,0|1,0,2]=4 107 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 H51766 [0,1,0,0,0,0|1,0,1]=3 108 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 A55426 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A37972 [0,1,0,0,0,0|0,0,2]=3 110 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A50352 [0,1,0,0,0,0|0,0,2]=3 111 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 H69256 [0,1,0,0,0,0|0,0,2]=3 112 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 P46920 [0,1,0,0,0,0|1,0,2]=4 113 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C50162 [0,1,0,0,0,0|1,0,1]=3 114 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C69270 [0,1,0,0,0,0|1,0,1]=3 115 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C50160 [0,1,0,0,0,0|1,0,1]=3 116 B11R1.17 CC1=C(CN=[N+]=[N-])C=CC=C1 M9125 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.17 CC1=C(NCCO)C=CC=C1 H50355 [0,1,0,0,0,0|1,0,2]=4 118 B11R1.17 CC1=C(OCC#N)C=CC=C1 T51755 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.17 CC1=C(OCCN)C=CC=C1 M50346 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.17 CCCOC1=C(O)C=CC=C1 P50279 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.17 O=C\C=C\C1=C(Cl)C=CC=C1 C51320 [0,1,0,0,0,0|0,0,2]=3 122 B11R1.17 OCCCC1=C(Br)C=CC=C1 B50150 [0,1,0,0,0,0|0,0,2]=3 123 B11R1.17 [N-]=[N+]=NCC1=C(F)C=CC=C1 A9130 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.24 CC1=CC=CC(CCCO)=C1 M66328 [0,1,0,0,0,0|0,0,2]=3 125 B11R1.24 CC1=CC=CC(CN=[N+]=[N-])=C1 M9126 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 B54248 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.24 CCNCC1=CC=CC(Br)=C1 E50224 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50239 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50242 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.24 CCNCC1=CC=CC(F)=C1 F50251 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.24 COCOC1=CC=CC(F)=C1 F49397 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.24 FCCOC1=CC=CC(F)=C1 D49152 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.24 O=CCCC1=CC=CC(Br)=C1 B64250 [0,1,0,0,0,0|0,0,0]=1 134 B11R1.24 O=CNNC1=CC=CC(Cl)=N1 F4991 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.24 O=C\C=C\C1=CC=CC(Br)=C1 B51313 [0,1,0,0,0,0|0,0,2]=3 136 B11R1.24 O=C\C=C\C1=CC=CC(Cl)=C1 C51317 [0,1,0,0,0,0|0,0,2]=3 137 B11R1.24 OCCCC1=CC=CC(Br)=C1 B50149 [0,1,0,0,0,0|0,0,2]=3 138 B11R1.24 [N-]=[N+]=NCC1=CC=CC(F)=C1 A9128 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [0,1,0,0,0,0|1,0,1]=3 140 B11R1.28 BrCCCOC1=CC=CC=C1 B39545 [0,1,0,0,0,0|1,0,1]=3 141 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [0,1,0,0,0,0|1,0,1]=3 142 B11R1.28 C#CCOCC1=CC=CC=C1 P52414 [0,1,0,0,0,0|1,0,1]=3 143 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [0,1,0,0,0,0|1,0,1]=3 147 B11R1.28 CCOCCC1=NC=CC=C1 E69081 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.28 N#CCNCC1=CC=CC=C1 B49709 [0,1,0,0,0,0|1,0,1]=3 149 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [0,1,0,0,0,0|1,0,1]=3 150 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [0,1,0,0,0,0|1,0,1]=3 151 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [0,1,0,0,0,0|0,0,0]=1 152 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [0,1,0,0,0,0|0,0,0]=1 153 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [0,1,0,0,0,0|0,0,2]=3 154 B11R1.28 OCCCCC1=CC=NC=C1 P50342 [0,1,0,0,0,0|1,0,2]=4 155 B11R1.28 OCCCCC1=CN=CC=C1 P50341 [0,1,0,0,0,0|1,0,2]=4 156 B11R1.28 OCCCCC1=NC=CC=C1 P50340 [0,1,0,0,0,0|1,0,2]=4 157 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [0,1,0,0,0,0|0,0,2]=3 158 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 P52407 [0,1,0,0,0,0|1,0,1]=3 159 B11R1.40 C=CC(=O)NC1=CC=CC=C1 P38034 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P32241 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 P38171 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [0,1,0,0,0,0|0,0,2]=3 163 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [0,1,0,0,0,0|0,0,2]=3 164 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [0,1,0,0,0,0|0,0,2]=3 165 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [0,1,0,0,0,0|0,0,2]=3 166 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [0,1,0,0,0,0|0,0,2]=3 167 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [0,1,0,0,0,0|0,0,2]=3 169 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 C61979 [0,1,0,0,0,0|0,0,2]=3 172 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [0,1,0,0,0,0|0,0,0]=1 173 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [0,1,0,0,0,0|0,0,2]=3 174 B11R1.91 O=C(O)C#CC1=CN=CC=C1 P47713 [0,1,0,0,0,0|1,0,2]=4 175 B11R1.91 O=C(O)C=CC1=CN=CC=C1 P48460 [0,1,0,0,0,0|1,0,2]=4 176 B11R1.91 O=C(O)C=CC1=NC=CC=C1 P48456 [0,1,0,0,0,0|1,0,2]=4 177 B11R1.91 O=C(O)CCC1=CN=NC=C1 P60455 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [0,1,0,0,0,0|1,0,0]=2 179 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.91 O=C(O)COC1=CC=NC=C1 P45840 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.91 O=C(O)COC1=CN=CC=C1 P45834 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.91 O=C(O)CSC1=CC=NC=C1 P68840 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [0,1,0,0,0,0|0,0,2]=3 185 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 P69501 [0,1,0,0,0,0|1,0,2]=4 186 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 P48463 [0,1,0,0,0,0|1,0,2]=4 187 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [0,1,0,0,0,0|1,0,0]=2 188 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [0,1,0,0,0,0|1,0,1]=3 189 B11R2.1 BrC1=COC2=C1C=CC=C2 B47829 [0,0,0,1,0,0|2,0,1]=4 190 B11R2.1 BrC1=CSC2=C1C=CC=C2 B47535 [0,0,0,1,0,0|2,0,1]=4 191 B11R2.1 BrC1=NNC2=C1C=CC=C2 B0436 [0,0,0,1,0,0|3,0,0]=4 192 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [0,0,0,1,0,0|1,0,1]=3 193 B11R2.1 CC1=CNC2=C1C=CC=C2 M13894 [0,0,0,1,0,0|2,0,1]=4 194 B11R2.1 CC1=NNC2=C1C=CC=C2 M1829 [0,0,0,1,0,0|3,0,0]=4 195 B11R2.1 CC1=NOC2=C1C=CC=C2 M68053 [0,0,0,1,0,0|3,0,0]=4 196 B11R2.1 ClC1=NNC2=C1C=CC=C2 C44767 [0,0,0,1,0,0|3,0,0]=4 197 B11R2.1 ClC1=NOC2=C1C=CC=C2 C44531 [0,0,0,1,0,0|3,0,0]=4 198 B11R2.1 ClC1=NSC2=C1C=CC=C2 C25325 [0,0,0,1,0,0|3,0,0]=4 199 B11R2.1 FC1=NNC2=C1C=CC=C2 F39022 [0,0,0,1,0,0|3,0,0]=4 200 B11R2.1 IC1=NNC2=C1C=CC=C2 X9686 [0,0,0,1,0,0|3,0,0]=4 201 B11R2.1 NC1=NCC2=C1C=CC=C2 K49609 [0,0,0,1,0,0|2,0,0]=3 202 B11R2.1 NC1=NCC2=C1C=CC=C2 K64548 [0,0,0,1,0,0|2,0,0]=3 203 B11R2.1 NC1=NOC2=C1C=CC=C2 B45214 [0,0,0,1,0,0|3,0,0]=4 204 B11R2.1 NC1=NSC2=C1C=CC=C2 B69175 [0,0,0,1,0,0|3,0,0]=4 205 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [0,0,0,1,0,0|1,0,1]=3 206 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [0,0,0,1,0,0|1,0,1]=3 207 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [0,0,0,1,0,0|1,0,1]=3 208 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D49490 [0,0,0,1,0,0|2,0,1]=4 209 B11R2.1 O=C1CCC2=C1C=CC=N2 D5364 [0,0,0,1,0,0|1,0,0]=2 210 B11R2.1 O=C1CCC2=C1C=CN=C2 C23220 [0,0,0,1,0,0|1,0,0]=2 211 B11R2.1 O=C1CCC2=C1C=NC=C2 C24049 [0,0,0,1,0,0|1,0,0]=2 212 B11R2.1 O=C1CCC2=CC=CN=C12 C48452 [0,0,0,1,0,0|1,0,0]=2 213 B11R2.1 O=C1COC2=C1C=CN=C2 F37015 [0,0,0,1,0,0|2,0,0]=3 214 B11R2.1 O=C1NCC2=C1C=CC=C2 I12007 [0,0,0,1,0,0|1,0,0]=2 215 B11R2.1 O=C1NCC2=C1C=CC=N2 D45227 [0,0,0,1,0,0|2,0,0]=3 216 B11R2.1 O=C1NCC2=C1C=NC=C2 D1721 [0,0,0,1,0,0|2,0,0]=3 217 B11R2.1 O=C1NN=C2C=CC=CN12 T42480 [0,0,0,1,0,0|3,0,0]=4 218 B11R2.1 O=C1NNC2=C1C=CC=N2 P42478 [0,0,0,1,0,0|3,0,0]=4 219 B11R2.1 O=C1NNC2=C1C=CN=C2 P42479 [0,0,0,1,0,0|3,0,0]=4 220 B11R2.1 O=C1OCC2=C1C=CC=N2 F44926 [0,0,0,1,0,0|2,0,0]=3 221 B11R2.1 O=[S@]1C=NC2=C1C=CC=C2 B45069 [0,0,0,1,0,0|2,0,1]=4 222 B11R2.1 OB1OCC2=C1C=CC=C2 H3680 [0,0,0,1,0,0|2,0,1]=4 223 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [0,0,0,1,0,0|0,0,2]=3 224 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [0,0,0,1,0,0|0,0,2]=3 225 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [0,0,0,1,0,0|0,0,2]=3 226 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D67550 [0,0,0,1,0,0|1,0,2]=4 227 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 P22144 [0,0,0,1,0,0|1,0,1]=3 228 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P24205 [0,0,0,1,0,0|1,0,1]=3 229 B11R2.20 C1=CC2=C(C=C1)COCC2 C39527 [0,0,0,1,0,0|2,0,0]=3 230 B11R2.20 C1=CC2=C(C=C1)NCCC2 T37825 [0,0,0,1,0,0|1,0,1]=3 231 B11R2.20 C1=CC2=C(C=C1)NCCN2 T46643 [0,0,0,1,0,0|2,0,1]=4 232 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [0,0,0,1,0,0|0,0,2]=3 233 B11R2.20 C1=CC2=C(C=C1)OCCN2 B67657 [0,0,0,1,0,0|1,0,2]=4 234 B11R2.20 C1=CC2=C(C=C1)SCCN2 D38749 [0,0,0,1,0,0|1,1,1]=4 235 B11R2.20 C1=CC2=C(C=N1)CCCC2 T49977 [0,0,0,1,0,0|2,0,1]=4 236 B11R2.20 C1=CC2=C(C=N1)CCCN2 T13324 [0,0,0,1,0,0|2,0,1]=4 237 B11R2.20 C1=CC2=C(C=N1)CCNC2 T49657 [0,0,0,1,0,0|3,0,0]=4 238 B11R2.20 C1=CC2=C(C=N1)CCNC2 T69820 [0,0,0,1,0,0|3,0,0]=4 239 B11R2.20 C1=CC2=C(C=N1)CNCC2 N14836 [0,0,0,1,0,0|3,0,0]=4 240 B11R2.20 C1=CC2=C(C=N1)CNCC2 T49489 [0,0,0,1,0,0|3,0,0]=4 241 B11R2.20 C1=CC=C2C=NC=CC2=C1 Q68586 [0,0,0,1,0,0|2,0,1]=4 242 B11R2.20 C1=CC=C2N=CC=NC2=C1 Q69216 [0,0,0,1,0,0|2,0,1]=4 243 B11R2.20 C1=CN=C2CCCCC2=C1 T64966 [0,0,0,1,0,0|2,0,1]=4 244 B11R2.20 C1=CN=C2CCCNC2=C1 T32362 [0,0,0,1,0,0|2,0,1]=4 245 B11R2.20 C1=CN=C2CCNCC2=C1 T23208 [0,0,0,1,0,0|3,0,0]=4 246 B11R2.20 C1=CN=C2CCNCC2=C1 T4076 [0,0,0,1,0,0|3,0,0]=4 247 B11R2.20 C1=CN=C2CCNCC2=C1 T5331 [0,0,0,1,0,0|3,0,0]=4 248 B11R2.20 C1=CN=C2CNCCC2=C1 T13476 [0,0,0,1,0,0|3,0,0]=4 249 B11R2.20 C1=CN=C2CNCCC2=C1 T18760 [0,0,0,1,0,0|3,0,0]=4 250 B11R2.20 C1=CN=C2CNCCC2=C1 T23221 [0,0,0,1,0,0|3,0,0]=4 251 B11R2.20 C1=CN=C2NCCCC2=C1 T37326 [0,0,0,1,0,0|2,0,1]=4 252 B11R2.239 C1=CN=CC(C2CNC2)=C1 A49655 [0,0,0,1,0,0|3,0,0]=4 253 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [0,0,0,1,0,0|0,0,2]=3 254 B9R1.12 CCCCC1=CSC=C1 B47048 [0,0,0,0,1,0|2,0,1]=4 255 B9R1.12 ICCCC1=CC=CS1 K46278 [0,0,0,0,1,0|2,0,1]=4 256 B9R1.12 N#CCCN1C=CC=C1 P45971 [0,0,0,0,1,0|2,0,1]=4 257 B9R1.12 O=CC=CC1=CC=CO1 F45509 [0,0,0,0,1,0|1,0,2]=4 258 B9R1.12 O=C\C=C\C1=CC=CO1 F45510 [0,0,0,0,1,0|1,0,2]=4 259 B9R1.12 OCCCC1=CC=CS1 T36724 [0,0,0,0,1,0|1,0,2]=4 260 B8R1.2 BrCC1=CC=NC=C1 B36897 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.2 BrCC1=CN=CC=C1 B23879 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.2 BrCC1=NC=CC=C1 B42841 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.2 CCC1=NC=CN=C1 E43180 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.2 CNC1=CC=CN=C1 M38086 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.2 CNC1=CC=NC=C1 M68620 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.2 COC1=CC=NC=C1 M9391 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.2 COC1=CN=CC=C1 M67978 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.2 COC1=NC=CC=C1 M39277 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.2 ClCC1=CC=NC=C1 C68845 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.2 ClCC1=NC=CC=C1 C67870 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 NCC1=CC=CN=C1 A69257 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.2 NCC1=CC=NC=C1 P67743 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 NNC1=CC=CC=C1 P68696 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.2 NOC1=CC=CC=C1 P43533 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.2 O=CC1=CC=NC=C1 P42598 [2,0,0,0,0,0|1,0,0]=3 276 B8R1.2 O=CC1=CN=CC=C1 P13753 [2,0,0,0,0,0|1,0,0]=3 277 B8R1.2 O=CC1=CN=CN=C1 F2817 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.2 O=CC1=CN=NC=C1 P7445 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.2 O=CC1=NC=CC=C1 P67836 [2,0,0,0,0,0|1,0,0]=3 280 B8R1.2 O=CC1=NC=CC=N1 P0152 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.2 O=CC1=NC=CN=C1 P0148 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.2 O=CC1=NC=NC=C1 P40755 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.2 OCC1=CC=NC=C1 P43429 [2,0,0,0,0,0|1,0,1]=4 284 B8R1.2 OCC1=CC=NC=C1 P67894 [2,0,0,0,0,0|1,0,1]=4 285 B8R1.2 OCC1=CN=CC=C1 P15946 [2,0,0,0,0,0|1,0,1]=4 286 B8R1.2 OCC1=NC=CC=C1 P69303 [2,0,0,0,0,0|1,0,1]=4 287 B8R1.2 ONC1=CC=CC=C1 P67873 [2,0,0,0,0,0|1,0,1]=4 288 B10R1.1 CC1=CC=C(CC#N)C=C1 M39574 [1,1,0,0,0,0|1,0,1]=4 289 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [1,1,0,0,0,0|0,0,1]=3 291 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.1 CC1=CC=C(CNN)C=C1 M49662 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.1 CC1=NC=C(CCO)C=C1 M15913 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [1,1,0,0,0,0|0,0,1]=3 295 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [1,1,0,0,0,0|0,0,1]=3 296 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [1,1,0,0,0,0|0,0,1]=3 297 B10R1.1 CCNC1=CC=C(F)C=C1 E46759 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.1 CCOC1=CC=C(I)C=C1 E49468 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.1 CCOC1=CC=C(O)C=C1 E68898 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.1 CCOC1=CC=C([Mg+])C=C1 E31767 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.1 CCSC1=CC=C([Mg+])C=C1 E31791 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [1,1,0,0,0,0|1,0,1]=4 304 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [1,1,0,0,0,0|1,0,1]=4 305 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.1 ClC1=CC=C(CCBr)C=C1 B48760 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.1 FC1=CC=C(CCBr)C=C1 B13769 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.1 FC1=CC=C(CC[Mg+])C=C1 F31725 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C69078 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.1 N#CCC1=CC=C(I)C=C1 K47988 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.1 N#CCC1=CC=C(N)C=C1 A67449 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.1 N#CCC1=CC=C(O)C=C1 H68900 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.1 NCCC1=CC=C(Cl)C=C1 C67656 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.1 NCCC1=CC=C(F)C=C1 F69101 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.1 NCCC1=NC=C(Br)C=C1 A1731 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.1 NNCC1=CC=C(Br)C=C1 B0093 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.1 NNCC1=CC=C(Br)C=C1 B12215 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.1 NNCC1=CC=C(Cl)C=C1 C0094 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.1 NNCC1=CC=C(Cl)C=C1 C10206 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.1 NNCC1=CC=C(F)C=C1 F0090 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.1 NOCC1=CC=C(Cl)C=C1 C64524 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.1 NOCC1=CC=C(F)C=C1 F46562 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [1,1,0,0,0,0|0,0,0]=2 327 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [1,1,0,0,0,0|0,0,0]=2 328 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.1 OCCC1=CC=C(Br)C=C1 B36776 [1,1,0,0,0,0|0,0,1]=3 330 B10R1.1 OCCC1=CC=C(Cl)C=C1 C39522 [1,1,0,0,0,0|0,0,1]=3 331 B10R1.1 OCCC1=CC=C(F)C=C1 F49459 [1,1,0,0,0,0|0,0,1]=3 332 B10R1.1 OCCC1=CC=C(I)C=C1 K49469 [1,1,0,0,0,0|0,0,1]=3 333 B10R1.1 OCCC1=CN=C(Cl)C=C1 C37718 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.1 OCCC1=NC=C(Br)C=C1 B7705 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.1 [Mg+]CCC1=CC=C(Cl)C=C1 C31726 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.4 CC1=C(CC#N)C=CC=C1 T69238 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [1,1,0,0,0,0|0,0,1]=3 338 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.4 CCSC1=C(N)C=CC=C1 E46939 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.4 N#CCC1=C(Br)C=CC=C1 B69236 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.4 N#CCC1=C(Cl)C=CC=C1 C39466 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.4 N#CCC1=C(F)C=CC=C1 F68569 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.4 N#CCC1=C(I)C=CC=C1 K47987 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.4 N#CCC1=C(N)C=CC=C1 A48786 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [1,1,0,0,0,0|0,0,1]=3 351 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.4 NNCC1=C(Br)C=CC=C1 B10205 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.4 NNCC1=C(Br)C=CC=C1 B7428 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.4 NNCC1=C(Cl)C=CC=C1 C10207 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.4 NNCC1=C(F)C=CC=C1 F0092 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.4 NNCC1=C(F)C=CC=C1 F7427 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.4 NOCC1=C(F)C=CC=C1 F63413 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [1,1,0,0,0,0|0,0,1]=3 362 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [1,1,0,0,0,0|0,0,1]=3 363 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [1,1,0,0,0,0|0,0,1]=3 364 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [1,1,0,0,0,0|0,0,1]=3 365 B10R1.10 BrCCC1=CC=CC(Br)=C1 B23535 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.10 CC1=CC=CC(CC#N)=C1 M67706 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.10 CCOC1=CC(N)=CC=C1 E64076 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.10 CCOC1=CC=CC(Br)=C1 B49423 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.10 CCOC1=CC=CC(F)=C1 E49455 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.10 CCOC1=CC=CC([Mg+])=C1 E31766 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.10 CCSC1=CC=CC(Br)=C1 B3190 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.10 CNCC1=CC(N)=CC=C1 M46965 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.10 CNCC1=CC=CC(Cl)=C1 C46754 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.10 ClC1=CC=CC(CCBr)=C1 C48759 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.10 N#CCC1=CC(N)=CC=C1 A48787 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.10 N#CCC1=CC=CC(Br)=C1 B23025 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C69079 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.10 N#CCC1=CC=CC(F)=C1 F39467 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.10 N#CCC1=CC=CC(O)=C1 H48451 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.10 NCCC1=CC(=O)NC=C1 A46457 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.10 NCCC1=CC=CC(Br)=C1 B46722 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.10 NCCC1=CC=CC(Br)=C1 B68552 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.10 NCCC1=CC=CC(Cl)=C1 C10742 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.10 NCCC1=CC=CC(F)=C1 F38570 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.10 NCCC1=CC=CC(F)=C1 F46762 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.10 NNCC1=CC=CC(Br)=C1 B12216 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.10 NNCC1=CC=CC(Cl)=C1 C12217 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.10 NNCC1=CC=CC(Cl)=C1 C46306 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.10 NNCC1=CC=CC(F)=C1 F0091 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.10 NNCC1=CC=CC(F)=C1 F10204 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.10 OCCC1=CC=CC(Br)=C1 B22812 [1,1,0,0,0,0|0,0,1]=3 395 B10R1.10 OCCC1=CC=CC(Br)=N1 B46160 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.10 OCCC1=CC=CC(Cl)=C1 C49444 [1,1,0,0,0,0|0,0,1]=3 397 B10R1.10 OCCC1=CC=CC(F)=C1 F49458 [1,1,0,0,0,0|0,0,1]=3 398 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [1,1,0,0,0,0|0,0,2]=4 399 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 P68581 [1,1,0,0,0,0|0,0,2]=4 400 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [1,1,0,0,0,0|0,0,2]=4 401 B10R1.15 C=C[S@](=O)C1=CC=CC=C1 V62500 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [1,1,0,0,0,0|0,0,1]=3 403 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [1,1,0,0,0,0|0,0,1]=3 417 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [1,1,0,0,0,0|0,0,1]=3 418 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [1,1,0,0,0,0|0,0,1]=3 419 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [1,1,0,0,0,0|0,0,2]=4 420 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [1,1,0,0,0,0|0,0,1]=3 421 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [1,1,0,0,0,0|0,0,1]=3 422 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [1,1,0,0,0,0|0,0,1]=3 423 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.18 FC(F)OC1=CC=CC=C1 D45605 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.18 N=C(N)NC1=CC=CC=C1 P49691 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [1,1,0,0,0,0|0,0,0]=2 434 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.18 NC(=O)CC1=NC=CC=N1 P43092 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.18 O=C(O)CC1=CN=CN=C1 P12239 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.18 O=C(O)CC1=CN=NC=C1 P10225 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.18 O=C(O)CC1=NC=CC=N1 P0756 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.18 O=C(O)CC1=NC=CN=C1 P12241 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.18 O=C(O)CC1=NC=NC=C1 P12245 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.18 O=C(O)CC1=NN=CC=C1 P12243 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.18 O=C([O-])CC1=CN=NC=C1 P10226 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.18 O=C([O-])CC1=NC=CC=N1 P7450 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.18 O=C([O-])CC1=NN=CC=C1 P27036 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.18 S=C(Cl)OC1=CC=CC=C1 P37341 [1,1,0,0,0,0|1,1,0]=4 451 B10R1.66 CC(=O)OCC1=CC=CO1 F39416 [0,1,0,0,1,0|2,0,0]=4 452 B10R1.66 O=C(O)CCC1=CC=CN1 P46404 [0,1,0,0,1,0|1,0,0]=3 453 B10R1.66 O=C(O)CCC1=CC=CO1 F46252 [0,1,0,0,1,0|1,0,0]=3 454 B10R1.66 O=C(O)CCC1=CC=CS1 T46244 [0,1,0,0,1,0|1,0,0]=3 455 B10R1.66 O=C(O)CCC1=NC=CN1 I38399 [0,1,0,0,1,0|2,0,0]=4 456 B10R1.66 O=C(O)CCN1C=CC=N1 P67578 [0,1,0,0,1,0|2,0,0]=4 457 B12R1.1 CCCCCC1=CC=C(Br)C=C1 B4837 [0,2,0,0,0,0|1,0,1]=4 458 B12R1.1 CCCCCC1=CC=C([Mg+])C=C1 P31797 [0,2,0,0,0,0|1,0,1]=4 459 B12R1.1 COCCOC1=CC=C(Br)C=C1 B36726 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.1 COCCOC1=CC=C(N)C=C1 M50360 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.1 FC1=CC=C(CCCCCl)C=C1 C52680 [0,2,0,0,0,0|1,0,1]=4 462 B12R1.1 FC1=CC=C(OCCCCl)C=C1 C68838 [0,2,0,0,0,0|1,0,1]=4 463 B12R1.1 N#CCCOC1=CC=C(Br)C=C1 B51509 [0,2,0,0,0,0|1,0,1]=4 464 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 C53068 [0,2,0,0,0,0|1,0,1]=4 465 B12R1.16 C=CC[C@@H](N)C1=CC=C(F)C=C1 F54124 [0,2,0,0,0,0|1,0,0]=3 466 B12R1.16 CCC[C@@H](N)C1=CC=C(C)C=C1 T55524 [0,2,0,0,0,0|1,0,1]=4 467 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 A52258 [0,2,0,0,0,0|0,0,2]=4 468 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 A50260 [0,2,0,0,0,0|0,0,2]=4 469 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 A63764 [0,2,0,0,0,0|0,0,2]=4 470 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 A50262 [0,2,0,0,0,0|0,0,2]=4 471 B12R1.21 CC(=O)NNC1=CC=C(Br)C=C1 B49191 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 H64577 [0,2,0,0,0,0|0,0,2]=4 473 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 T52428 [0,2,0,0,0,0|0,0,2]=4 474 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 T39588 [0,2,0,0,0,0|0,0,2]=4 475 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 A50056 [0,2,0,0,0,0|0,0,0]=2 476 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 A49317 [0,2,0,0,0,0|1,0,0]=3 477 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 A46681 [0,2,0,0,0,0|1,0,0]=3 478 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 C50769 [0,2,0,0,0,0|0,0,2]=4 479 B12R1.21 O=C(O)C=CC1=CC=C(Br)C=C1 B39566 [0,2,0,0,0,0|0,0,2]=4 480 B12R1.21 O=C(O)C=CC1=CC=C(Cl)C=C1 C39568 [0,2,0,0,0,0|0,0,2]=4 481 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C51922 [0,2,0,0,0,0|0,0,0]=2 482 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F51936 [0,2,0,0,0,0|0,0,0]=2 483 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 K51958 [0,2,0,0,0,0|0,0,0]=2 484 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 A52152 [0,2,0,0,0,0|0,0,2]=4 485 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 A69484 [0,2,0,0,0,0|0,0,2]=4 486 B12R1.69 CC1=CC(N)=C(CCCO)C=C1 A65990 [0,2,0,0,0,0|0,0,2]=4 487 B12R1.71 C#CC1=CC=C(CCCC)C=C1 B55853 [0,2,0,0,0,0|1,0,1]=4 488 B12R1.71 COC1=CC=C(CCCN)C=C1 M53143 [0,2,0,0,0,0|1,0,1]=4 489 B12R1.71 COC1=CC=C(CNC=O)C=C1 M50050 [0,2,0,0,0,0|1,0,0]=3 490 B12R1.71 N#CC1=CC=C(CCCO)C=C1 H52548 [0,2,0,0,0,0|0,0,2]=4 491 B12R1.17 C=CC[C@H](N)C1=CC=CC(Cl)=C1 C62600 [0,2,0,0,0,0|1,0,0]=3 492 B12R1.30 C#CCN[C@@H](C)C1=CC=CC=C1 P54604 [0,2,0,0,0,0|1,0,1]=4 493 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 E62365 [0,2,0,0,0,0|1,0,1]=4 494 B12R1.30 CNCCC(=O)C1=CC=CC=C1 M54151 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A54196 [0,2,0,0,0,0|0,0,2]=4 496 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A60951 [0,2,0,0,0,0|0,0,2]=4 497 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 X51780 [0,2,0,0,0,0|0,0,1]=3 498 B12R1.39 CC(C)(CC=O)C1=CC=CC=C1 M54755 [0,2,0,0,0,0|0,0,0]=2 499 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 P52545 [0,2,0,0,0,0|1,0,1]=4 500 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,2,0,0,0,0|0,0,1]=3 501 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [0,2,0,0,0,0|1,0,0]=3 502 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [0,2,0,0,0,0|1,0,0]=3 503 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 M63385 [0,2,0,0,0,0|1,0,1]=4 504 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 A53182 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [0,2,0,0,0,0|1,0,0]=3 506 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [0,2,0,0,0,0|0,0,0]=2 507 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 P65387 [0,2,0,0,0,0|1,0,0]=3 508 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 P65388 [0,2,0,0,0,0|1,0,0]=3 509 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [0,2,0,0,0,0|0,0,0]=2 510 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [0,2,0,0,0,0|0,0,0]=2 511 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [0,2,0,0,0,0|0,0,0]=2 512 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 A46676 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [0,2,0,0,0,0|0,0,0]=2 514 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [0,2,0,0,0,0|0,0,0]=2 515 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [0,2,0,0,0,0|0,0,0]=2 516 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [0,2,0,0,0,0|0,0,1]=3 517 B12R1.308 CCC[C@@H](N)C1=C(C)C=CC=C1 T54978 [0,2,0,0,0,0|1,0,1]=4 518 B12R1.121 C=CCOC1=C(C=O)C=CC=C1 A52429 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.121 COC1=C(CCC=O)C=CC=C1 M52790 [0,2,0,0,0,0|0,0,0]=2 520 B12R1.121 COC1=C(CCCO)C=CC=C1 M53089 [0,2,0,0,0,0|0,0,2]=4 521 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 H50049 [0,2,0,0,0,0|1,0,0]=3 522 B12R1.125 CC1=C(C=CC(=O)O)C=CC=C1 M52420 [0,2,0,0,0,0|0,0,2]=4 523 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [0,2,0,0,0,0|0,0,0]=2 524 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 M62392 [0,2,0,0,0,0|1,0,0]=3 525 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 B51888 [0,2,0,0,0,0|0,0,0]=2 526 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 C51920 [0,2,0,0,0,0|0,0,0]=2 527 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 F51934 [0,2,0,0,0,0|0,0,0]=2 528 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 K51957 [0,2,0,0,0,0|0,0,0]=2 529 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 F48669 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C64672 [0,2,0,0,0,0|1,0,0]=3 531 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 B62216 [0,2,0,0,0,0|0,0,2]=4 532 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 C6638 [0,2,0,0,0,0|0,0,2]=4 533 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 F68685 [0,2,0,0,0,0|0,0,2]=4 534 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 H68558 [0,2,0,0,0,0|0,0,2]=4 535 B12R1.267 C=CCCOC1=C(Br)C=CC=C1 B65350 [0,2,0,0,0,0|1,0,0]=3 536 B12R1.267 COCOCC1=C(Br)C=CC=C1 B65130 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.267 FC1=C(OCCCBr)C=CC=C1 B61962 [0,2,0,0,0,0|1,0,1]=4 538 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 A50258 [0,2,0,0,0,0|0,0,2]=4 539 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 A50259 [0,2,0,0,0,0|0,0,2]=4 540 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 M52805 [0,2,0,0,0,0|0,0,0]=2 541 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 T69043 [0,2,0,0,0,0|1,0,0]=3 542 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 M66326 [0,2,0,0,0,0|0,0,2]=4 543 B12R1.226 O=C(O)C=CC1=CC=CC(Cl)=C1 C39567 [0,2,0,0,0,0|0,0,2]=4 544 B12R1.226 O=C(O)C=CC1=CC=CC(I)=C1 K51272 [0,2,0,0,0,0|0,0,2]=4 545 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H67695 [0,2,0,0,0,0|0,0,0]=2 546 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B51889 [0,2,0,0,0,0|0,0,0]=2 547 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 C51921 [0,2,0,0,0,0|0,0,0]=2 548 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F51935 [0,2,0,0,0,0|0,0,0]=2 549 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 B63813 [0,2,0,0,0,0|1,0,0]=3 550 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 F48670 [0,2,0,0,0,0|1,0,0]=3 551 B12R1.382 C=CCOC1=CC=CC(C=O)=C1 A52430 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.8 BrCCCCOC1=CC=CC=C1 B53012 [0,2,0,0,0,0|1,0,1]=4 553 B12R1.8 BrCCCOCC1=CC=CC=C1 B53016 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.8 NCCCNCC1=CC=CC=C1 B53178 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.8 NCCCOCC1=CC=CC=C1 B53135 [0,2,0,0,0,0|1,0,1]=4 556 B12R1.8 O=CCCOCC1=CC=CC=C1 B1995 [0,2,0,0,0,0|0,0,0]=2 557 B12R1.8 OCCCNCC1=CC=CC=C1 B53134 [0,2,0,0,0,0|0,0,2]=4 558 B12R1.8 OCCCOCC1=CC=CC=C1 B53086 [0,2,0,0,0,0|0,0,2]=4 559 B12R1.8 [N-]=[N+]=NCOCC1=CC=CC=C1 A9115 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 B52541 [0,2,0,0,0,0|1,0,0]=3 561 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B52417 [0,2,0,0,0,0|1,0,0]=3 562 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M53792 [0,2,0,0,0,0|0,0,2]=4 563 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [0,2,0,0,0,0|0,0,0]=2 564 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [0,2,0,0,0,0|1,0,0]=3 565 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [0,2,0,0,0,0|1,0,0]=3 566 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B53141 [0,2,0,0,0,0|0,0,2]=4 567 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B67328 [0,2,0,0,0,0|0,0,2]=4 568 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 B53085 [0,2,0,0,0,0|0,0,2]=4 569 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 B53140 [0,2,0,0,0,0|0,0,2]=4 570 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B67680 [0,2,0,0,0,0|1,0,0]=3 571 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B68841 [0,2,0,0,0,0|1,0,0]=3 572 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [0,2,0,0,0,0|0,0,0]=2 573 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 B68284 [0,2,0,0,0,0|1,0,0]=3 574 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [0,2,0,0,0,0|1,0,1]=4 576 B12R1.32 CN(CCO)CC1=CC=CC=C1 B39619 [0,2,0,0,0,0|0,0,2]=4 577 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [0,2,0,0,0,0|0,0,0]=2 578 B12R1.252 CN(C)CCOC1=CC=CC=C1 D53142 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 B37631 [0,2,0,0,0,0|0,0,2]=4 580 B12R1.252 O=C(O)CCCC1=NC=CC=C1 P50052 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [0,2,0,0,0,0|0,0,0]=2 582 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [0,2,0,0,0,0|0,0,0]=2 583 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [0,2,0,0,0,0|0,0,1]=3 584 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [0,2,0,0,0,0|0,0,0]=2 585 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)Cl P51914 [0,2,0,0,0,0|1,0,0]=3 586 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [0,2,0,0,0,0|1,0,0]=3 587 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [0,2,0,0,0,0|0,0,0]=2 588 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [0,2,0,0,0,0|0,0,0]=2 589 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [0,2,0,0,0,0|0,0,0]=2 590 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49500 [0,2,0,0,0,0|1,0,0]=3 591 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49660 [0,2,0,0,0,0|1,0,0]=3 592 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O A49659 [0,2,0,0,0,0|1,0,0]=3 593 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A46684 [0,2,0,0,0,0|1,0,0]=3 594 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O A61463 [0,2,0,0,0,0|1,0,0]=3 595 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O A60776 [0,2,0,0,0,0|1,0,0]=3 596 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 B6285 [0,2,0,0,0,0|0,0,0]=2 597 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [0,2,0,0,0,0|0,0,0]=2 598 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [0,2,0,0,0,0|0,0,0]=2 599 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [0,2,0,0,0,0|0,0,0]=2 600 B12R1.43 O=C([O-])N(O)CC1=CC=CC=C1 B49301 [0,2,0,0,0,0|1,0,0]=3 601 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 M39108 [0,2,0,0,0,0|0,0,2]=4 602 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 A53136 [0,2,0,0,0,0|0,0,2]=4 603 B12R1.118 OCC(CO)CC1=CC=CC=C1 B66122 [0,2,0,0,0,0|0,0,2]=4 604 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 D60075 [0,2,0,0,0,0|1,0,1]=4 605 B12R1.891 F[B-](F)(F)CCC1=CC=CC=C1 P46628 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.891 NS(=O)(=O)NCC1=CC=CC=C1 S66770 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 P38151 [0,2,0,0,0,0|1,0,0]=3 608 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P68601 [1,0,0,1,0,0|0,0,1]=3 609 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P68362 [1,0,0,1,0,0|0,0,1]=3 610 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [1,0,0,1,0,0|1,0,1]=4 611 B10R2.7 C1=CC2=C(C=C1)NC=N2 B69282 [1,0,0,1,0,0|2,0,0]=4 612 B10R2.7 C1=CC2=C(C=C1)NN=C2 I14459 [1,0,0,1,0,0|2,0,0]=4 613 B10R2.7 C1=CC2=C(C=C1)OC=N2 B39360 [1,0,0,1,0,0|1,0,1]=4 614 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [1,0,0,1,0,0|0,0,1]=3 615 B10R2.7 C1=CC2=C(C=C1)OCO2 B69389 [1,0,0,1,0,0|1,0,1]=4 616 B10R2.7 C1=CC2=C(C=C1)SC=N2 B68567 [1,0,0,1,0,0|1,1,0]=4 617 B10R2.7 C1=CC2=C(C=C1)SCS2 B61366 [1,0,0,1,0,0|1,1,0]=4 618 B10R2.7 C1=CC2=C(C=N1)NCC2 D36872 [1,0,0,1,0,0|2,0,0]=4 619 B10R2.7 C1=CC2=C(C=N1)NCC2 D46553 [1,0,0,1,0,0|2,0,0]=4 620 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [1,0,0,1,0,0|1,0,1]=4 621 B10R2.7 C1=CN=C2NCCC2=C1 D0150 [1,0,0,1,0,0|2,0,0]=4 622 B10R2.7 C1=CN=C2NCCC2=C1 D65478 [1,0,0,1,0,0|2,0,0]=4 623 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 B68954 [1,0,0,1,0,0|1,0,0]=3 624 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [1,0,0,1,0,0|0,0,0]=2 625 B10R2.32 O=C1CCC2=C1C=CS2 D45612 [0,0,0,1,1,0|1,0,0]=3 626 B10R2.32 O=C1CCC2=C1SC=C2 C67539 [0,0,0,1,1,0|1,0,0]=3 627 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 B52500 [0,1,0,1,0,0|1,0,1]=4 628 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 B61360 [0,1,0,1,0,0|1,0,1]=4 629 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 B8109 [0,1,0,1,0,0|1,0,1]=4 630 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 B52017 [0,1,0,1,0,0|0,0,2]=4 631 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 B11621 [0,1,0,1,0,0|2,0,0]=4 632 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 B5487 [0,1,0,1,0,0|2,0,0]=4 633 B12R2.24 BrC1=CC2=C(C=C1)CCOC2 B52019 [0,1,0,1,0,0|2,0,0]=4 634 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 B14752 [0,1,0,1,0,0|2,0,0]=4 635 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 B15726 [0,1,0,1,0,0|2,0,0]=4 636 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 B14749 [0,1,0,1,0,0|1,0,1]=4 637 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 B52016 [0,1,0,1,0,0|0,0,2]=4 638 B12R2.24 CC1=CC2=C(C=C1)CCCC2 M54692 [0,1,0,1,0,0|1,0,1]=4 639 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M52881 [0,1,0,1,0,0|2,0,0]=4 640 B12R2.24 CC1=CC2=C(C=C1)CCNC2 M61207 [0,1,0,1,0,0|2,0,0]=4 641 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [0,1,0,1,0,0|1,0,1]=4 642 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [0,1,0,1,0,0|1,0,1]=4 643 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C32116 [0,1,0,1,0,0|1,0,1]=4 644 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C49776 [0,1,0,1,0,0|1,0,1]=4 645 B12R2.24 ClC1=CC2=C(C=C1)CCN=C2 C51457 [0,1,0,1,0,0|2,0,0]=4 646 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 C49772 [0,1,0,1,0,0|2,0,0]=4 647 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 C49779 [0,1,0,1,0,0|2,0,0]=4 648 B12R2.24 ClC1=CC2=C(C=C1)CNCC2 C67678 [0,1,0,1,0,0|2,0,0]=4 649 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 C23914 [0,1,0,1,0,0|1,0,1]=4 650 B12R2.24 FC1=CC2=C(C=C1)CNCC2 F60960 [0,1,0,1,0,0|2,0,0]=4 651 B12R2.24 FC1=CC2=C(C=C1)NCCC2 F38792 [0,1,0,1,0,0|1,0,1]=4 652 B12R2.24 NC1=CC2=C(C=C1)CCCN2 T63563 [0,1,0,1,0,0|1,0,1]=4 653 B12R2.24 NC1=CC2=C(C=C1)CCCN2 T67419 [0,1,0,1,0,0|1,0,1]=4 654 B12R2.24 NC1=CC2=C(C=C1)CCNC2 T52130 [0,1,0,1,0,0|2,0,0]=4 655 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [0,1,0,1,0,0|1,0,1]=4 656 B12R2.24 N[C@@H]1CNC2=C(C=CC=C2)C1 T50166 [0,1,0,1,0,0|1,0,1]=4 657 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [0,1,0,1,0,0|1,0,1]=4 658 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [0,1,0,1,0,0|1,0,1]=4 659 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [0,1,0,1,0,0|1,0,0]=3 660 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [0,1,0,1,0,0|0,0,0]=2 661 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 D13325 [0,1,0,1,0,0|1,0,0]=3 662 B12R2.24 O=C1CCC2=CC=CN=C2N1 D0689 [0,1,0,1,0,0|1,0,0]=3 663 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [0,1,0,1,0,0|1,0,0]=3 664 B12R2.24 O=C1COC2=C(C=CC=C2)O1 B62111 [0,1,0,1,0,0|1,0,0]=3 665 B12R2.24 O=C1COC2=C(C=CC=N2)N1 P61000 [0,1,0,1,0,0|2,0,0]=4 666 B12R2.24 O=C1COC2=CC=CN=C2N1 P38148 [0,1,0,1,0,0|2,0,0]=4 667 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 D48807 [0,1,0,1,0,0|1,0,0]=3 668 B12R2.24 OC1=CC2=C(C=C1)CCCC2 T37096 [0,1,0,1,0,0|1,0,1]=4 669 B12R2.24 OC1=CC2=C(C=C1)CCCN2 H50029 [0,1,0,1,0,0|1,0,1]=4 670 B12R2.24 OC1=CC2=C(C=C1)CNCC2 T38163 [0,1,0,1,0,0|2,0,0]=4 671 B12R2.24 OC1=CC2=C(C=C1)CNCC2 T67068 [0,1,0,1,0,0|2,0,0]=4 672 B12R2.24 OC1=CC2=C(C=C1)NCCC2 H50028 [0,1,0,1,0,0|1,0,1]=4 673 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 T60427 [0,1,0,1,0,0|1,0,1]=4 674 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [0,1,0,1,0,0|0,0,2]=4 675 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(O)C=C2 A29485 [0,1,0,1,0,0|1,0,1]=4 676 B12R2.132 CC1=CC2=C(C=C1)COC2=O M51554 [0,1,0,1,0,0|1,0,0]=3 677 B12R2.132 CC1=CC2=C(C=C1)ONC2=O M48465 [0,1,0,1,0,0|2,0,0]=4 678 B12R2.132 NC1=CC2=C(C=C1)CCC2=O A4485 [0,1,0,1,0,0|0,0,0]=2 679 B12R2.132 NC1=CC2=C(C=C1)CNC2=O A8073 [0,1,0,1,0,0|1,0,0]=3 680 B12R2.132 NC1=CC2=C(C=C1)COC2=O A12213 [0,1,0,1,0,0|1,0,0]=3 681 B12R2.132 NC1=CC2=C(C=C1)ONC2=O A45230 [0,1,0,1,0,0|2,0,0]=4 682 B12R2.132 N[C@@H]1CCC2=C1C=C(Br)C=C2 B13142 [0,1,0,1,0,0|1,0,1]=4 683 B12R2.132 N[C@@H]1CCC2=C1C=C(F)C=C2 F52069 [0,1,0,1,0,0|1,0,1]=4 684 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 A31037 [0,1,0,1,0,0|1,0,1]=4 685 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 H13146 [0,1,0,1,0,0|1,0,1]=4 686 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 B13143 [0,1,0,1,0,0|1,0,1]=4 687 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 B63650 [0,1,0,1,0,0|1,0,1]=4 688 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 C49778 [0,1,0,1,0,0|1,0,1]=4 689 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 C63653 [0,1,0,1,0,0|1,0,1]=4 690 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F52065 [0,1,0,1,0,0|1,0,1]=4 691 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F52067 [0,1,0,1,0,0|1,0,1]=4 692 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 H13147 [0,1,0,1,0,0|1,0,1]=4 693 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 B13141 [0,1,0,1,0,0|0,0,0]=2 694 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 C13148 [0,1,0,1,0,0|0,0,0]=2 695 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 F51322 [0,1,0,1,0,0|0,0,0]=2 696 B12R2.132 O=C1CCC2=C1C=C(I)C=C2 D9500 [0,1,0,1,0,0|0,0,0]=2 697 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 H51556 [0,1,0,1,0,0|0,0,0]=2 698 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 B24181 [0,1,0,1,0,0|1,0,0]=3 699 B12R2.132 O=C1NCC2=C1C=C(Br)C=C2 B14059 [0,1,0,1,0,0|1,0,0]=3 700 B12R2.132 O=C1NCC2=C1C=C(Cl)C=C2 C48084 [0,1,0,1,0,0|1,0,0]=3 701 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 F48098 [0,1,0,1,0,0|1,0,0]=3 702 B12R2.132 O=C1NCC2=C1C=C(O)C=C2 H38857 [0,1,0,1,0,0|1,0,0]=3 703 B12R2.132 O=C1NCC2=NC=C(Cl)C=C12 C44839 [0,1,0,1,0,0|2,0,0]=4 704 B12R2.132 O=C1NCC2=NC=C(F)C=C12 F44848 [0,1,0,1,0,0|2,0,0]=4 705 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 B44449 [0,1,0,1,0,0|2,0,0]=4 706 B12R2.132 O=C1NSC2=C1C=C(Br)C=C2 B61796 [0,1,0,1,0,0|2,0,0]=4 707 B12R2.132 O=C1OCC2=C1C=C(Br)C=C2 B12788 [0,1,0,1,0,0|1,0,0]=3 708 B12R2.132 O=C1OCC2=C1C=C(F)C=C2 F47784 [0,1,0,1,0,0|1,0,0]=3 709 B12R2.132 O=C1OCC2=C1C=C(I)C=C2 I12214 [0,1,0,1,0,0|1,0,0]=3 710 B12R2.132 O[C@H]1CCC2=C1C=C(Br)C=C2 B52030 [0,1,0,1,0,0|0,0,2]=4 711 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 B8588 [0,1,0,1,0,0|2,0,0]=4 712 B12R2.2302 NC1=CC=C(C2COC2)C=C1 X17674 [0,1,0,1,0,0|2,0,0]=4 713 B12R2.2 C1=CC=C(N2CCCC2)C=C1 P52876 [0,1,0,1,0,0|1,0,1]=4 714 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P15957 [0,1,0,1,0,0|1,0,1]=4 715 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P24436 [0,1,0,1,0,0|1,0,1]=4 716 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P54138 [0,1,0,1,0,0|1,0,1]=4 717 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 P1193 [0,1,0,1,0,0|0,0,2]=4 718 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 P24304 [0,1,0,1,0,0|1,0,1]=4 719 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P24713 [0,1,0,1,0,0|1,0,1]=4 720 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25684 [0,1,0,1,0,0|1,0,1]=4 721 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25740 [0,1,0,1,0,0|1,0,1]=4 722 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P26657 [0,1,0,1,0,0|1,0,1]=4 723 B12R2.22 NC1CC(C2=CC=CC=C2)C1 P15206 [0,1,0,1,0,0|1,0,1]=4 724 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 P11821 [0,1,0,1,0,0|1,0,1]=4 725 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [0,1,0,1,0,0|0,0,0]=2 726 B12R2.27 OCC1CC1C2=CC=CC=C2 P52781 [0,1,0,1,0,0|0,0,2]=4 727 B12R2.116 NC1(C2=CC=CC=C2)CCC1 P69467 [0,1,0,1,0,0|1,0,1]=4 728 B12R2.116 NC1(C2=CC=CC=C2)COC1 P7034 [0,1,0,1,0,0|2,0,0]=4 729 B12R2.116 OC1(C2=CC=CC=C2)CNC1 H11459 [0,1,0,1,0,0|2,0,0]=4 730 B12R2.116 OC1(C2=CC=CC=C2)COC1 P1182 [0,1,0,1,0,0|2,0,0]=4 731 B12R2.1081 BrC1=C2CCCCC2=CC=C1 B4845 [0,1,0,1,0,0|1,0,1]=4 732 B12R2.1081 BrC1=C2CCCNC2=CC=C1 B14750 [0,1,0,1,0,0|1,0,1]=4 733 B12R2.1081 BrC1=C2CCCNC2=CC=C1 B49764 [0,1,0,1,0,0|1,0,1]=4 734 B12R2.1081 BrC1=C2CCCOC2=CC=C1 B52015 [0,1,0,1,0,0|0,0,2]=4 735 B12R2.1081 BrC1=C2CCNCC2=CC=C1 B14751 [0,1,0,1,0,0|2,0,0]=4 736 B12R2.1081 BrC1=C2CCNCC2=CC=C1 B26536 [0,1,0,1,0,0|2,0,0]=4 737 B12R2.1081 BrC1=C2CNCCC2=CC=C1 B14753 [0,1,0,1,0,0|2,0,0]=4 738 B12R2.1081 BrC1=C2CNCCC2=CC=C1 B49767 [0,1,0,1,0,0|2,0,0]=4 739 B12R2.1081 BrC1=C2NCCCC2=CC=C1 B49762 [0,1,0,1,0,0|1,0,1]=4 740 B12R2.1081 BrC1=C2OCCCC2=CC=C1 B63715 [0,1,0,1,0,0|0,0,2]=4 741 B12R2.1081 CC1=CC=CC2=C1CCCN2 M54142 [0,1,0,1,0,0|1,0,1]=4 742 B12R2.1081 CC1=CC=CC2=C1NCCC2 M52879 [0,1,0,1,0,0|1,0,1]=4 743 B12R2.1081 CN1CCNC2=C1C=CC=C2 M52251 [0,1,0,1,0,0|2,0,0]=4 744 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M54143 [0,1,0,1,0,0|1,0,1]=4 745 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M67524 [0,1,0,1,0,0|1,0,1]=4 746 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M52878 [0,1,0,1,0,0|1,0,1]=4 747 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M54141 [0,1,0,1,0,0|1,0,1]=4 748 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 M54144 [0,1,0,1,0,0|1,0,1]=4 749 B12R2.1081 ClC1=C2CCCNC2=CC=C1 C36903 [0,1,0,1,0,0|1,0,1]=4 750 B12R2.1081 ClC1=C2CNCCC2=CC=C1 C49773 [0,1,0,1,0,0|2,0,0]=4 751 B12R2.1081 ClC1=C2CNCCC2=CC=C1 C49780 [0,1,0,1,0,0|2,0,0]=4 752 B12R2.1081 ClC1=C2OCCCC2=CC=C1 C52035 [0,1,0,1,0,0|0,0,2]=4 753 B12R2.1081 FC1=C2CCCNC2=CC=C1 F5341 [0,1,0,1,0,0|1,0,1]=4 754 B12R2.1081 NC1=CC=CC2=C1C=CCO2 C51750 [0,1,0,1,0,0|2,0,0]=4 755 B12R2.1081 NC1=CC=CC2=C1CCNC2 T50168 [0,1,0,1,0,0|2,0,0]=4 756 B12R2.1081 NC1=CC=CC2=C1CCNC2 T52129 [0,1,0,1,0,0|2,0,0]=4 757 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 T22529 [0,1,0,1,0,0|1,0,1]=4 758 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C22307 [0,1,0,1,0,0|0,0,2]=4 759 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C52103 [0,1,0,1,0,0|0,0,2]=4 760 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 T22530 [0,1,0,1,0,0|1,0,1]=4 761 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 T50167 [0,1,0,1,0,0|1,0,1]=4 762 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C22029 [0,1,0,1,0,0|0,0,2]=4 763 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52100 [0,1,0,1,0,0|0,0,2]=4 764 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52104 [0,1,0,1,0,0|0,0,2]=4 765 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 T37381 [0,1,0,1,0,0|1,0,1]=4 766 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 C63239 [0,1,0,1,0,0|1,0,1]=4 767 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 D4046 [0,1,0,1,0,0|1,0,1]=4 768 B12R2.1081 O=C1C=COC2=C1C=CC=C2 C38489 [0,1,0,1,0,0|0,0,2]=4 769 B12R2.1081 O=C1C=NNC2=C1C=CC=C2 C4719 [0,1,0,1,0,0|1,0,1]=4 770 B12R2.1081 O=C1CCCC2=C1C=CC=N2 D0654 [0,1,0,1,0,0|1,0,0]=3 771 B12R2.1081 O=C1CCCC2=C1C=CN=C2 D69568 [0,1,0,1,0,0|1,0,0]=3 772 B12R2.1081 O=C1CCCC2=C1C=NC=C2 D52235 [0,1,0,1,0,0|1,0,0]=3 773 B12R2.1081 O=C1CCCC2=CC=CN=C12 D51765 [0,1,0,1,0,0|1,0,0]=3 774 B12R2.1081 O=C1CCNC2=C1C=CC=C2 D39113 [0,1,0,1,0,0|0,0,0]=2 775 B12R2.1081 O=C1CCOC2=C1C=CC=C2 C67858 [0,1,0,1,0,0|0,0,0]=2 776 B12R2.1081 O=C1CCOC2=CC=CN=C12 P48464 [0,1,0,1,0,0|1,0,0]=3 777 B12R2.1081 O=C1COCC2=C1C=CC=C2 I4950 [0,1,0,1,0,0|0,0,0]=2 778 B12R2.1081 O=C1CSCC2=C1C=CC=C2 T62209 [0,1,0,1,0,0|0,0,0]=2 779 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 H10800 [0,1,0,1,0,0|1,0,1]=4 780 B12R2.1081 O=C1NCCC2=C1C=CC=C2 D37571 [0,1,0,1,0,0|0,0,0]=2 781 B12R2.1081 O=C1NCCC2=C1C=CC=N2 D48818 [0,1,0,1,0,0|1,0,0]=3 782 B12R2.1081 O=C1NCCC2=C1C=NC=C2 D13447 [0,1,0,1,0,0|1,0,0]=3 783 B12R2.1081 O=C1NCCC2=CC=CN=C12 D48817 [0,1,0,1,0,0|1,0,0]=3 784 B12R2.1081 O=C1OCCC2=C1C=CC=C2 C51549 [0,1,0,1,0,0|0,0,0]=2 785 B12R2.1081 OC1=C2NCCCC2=CC=C1 H67535 [0,1,0,1,0,0|1,0,1]=4 786 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [0,1,0,1,0,0|0,0,2]=4 787 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 T50022 [0,1,0,1,0,0|0,0,2]=4 788 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 M48798 [0,1,0,1,0,0|2,0,0]=4 789 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 A48795 [0,1,0,1,0,0|1,0,0]=3 790 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 I36660 [0,1,0,1,0,0|0,0,1]=3 791 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 B47761 [0,1,0,1,0,0|1,0,0]=3 792 B12R2.2028 O=C1O[C@H](O)C2=C1C=CC=C2 H37964 [0,1,0,1,0,0|1,0,0]=3 793 B12R2.2028 O=C1O[IH2](Cl)C2=C1C=CC=C2 C15861 [0,1,0,1,0,0|2,0,0]=4 794 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 H31866 [0,1,0,1,0,0|2,0,0]=4 795 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 P60753 [0,1,0,1,0,0|1,0,1]=4 796 B12R2.32 C#CC1CC2=C(C=CC=C2)C1 E64385 [0,1,0,1,0,0|1,0,1]=4 797 B12R2.32 CNC1CC2=C(C=CC=C2)C1 M62130 [0,1,0,1,0,0|2,0,0]=4 798 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 I38005 [0,1,0,1,0,0|0,0,2]=4 799 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 B50964 [0,1,0,1,0,0|0,0,2]=4 800 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 B37929 [0,1,0,1,0,0|0,0,2]=4 801 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 B23090 [0,1,0,1,0,0|1,0,1]=4 802 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 B9216 [0,1,0,1,0,0|1,0,1]=4 803 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 D15699 [0,1,0,1,0,0|0,0,2]=4 804 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 D49898 [0,1,0,1,0,0|0,0,2]=4 805 B12R2.196 CC1=CC=CC2=C1CCC2=O M52415 [0,1,0,1,0,0|0,0,0]=2 806 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N M54145 [0,1,0,1,0,0|1,0,1]=4 807 B12R2.196 CC1=CC=CC2=C1ONC2=O M60993 [0,1,0,1,0,0|2,0,0]=4 808 B12R2.196 NC1=CC=CC2=C1CCC2=O A3795 [0,1,0,1,0,0|0,0,0]=2 809 B12R2.196 NC1=CC=CC2=C1CNC2=O A14682 [0,1,0,1,0,0|1,0,0]=3 810 B12R2.196 NC1=CC=CC2=C1COC2=O A36802 [0,1,0,1,0,0|1,0,0]=3 811 B12R2.196 N[C@@H]1CCC2=C(Br)C=CC=C21 B61894 [0,1,0,1,0,0|1,0,1]=4 812 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B37290 [0,1,0,1,0,0|1,0,1]=4 813 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B49765 [0,1,0,1,0,0|1,0,1]=4 814 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B49768 [0,1,0,1,0,0|1,0,1]=4 815 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 C49777 [0,1,0,1,0,0|1,0,1]=4 816 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 C49781 [0,1,0,1,0,0|1,0,1]=4 817 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 F52070 [0,1,0,1,0,0|1,0,1]=4 818 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 I0551 [0,1,0,1,0,0|0,0,0]=2 819 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 C0554 [0,1,0,1,0,0|0,0,0]=2 820 B12R2.196 O=C1CCC2=C(F)C=CC=C12 F51325 [0,1,0,1,0,0|0,0,0]=2 821 B12R2.196 O=C1CCC2=C1C=CC=C2O H38442 [0,1,0,1,0,0|0,0,0]=2 822 B12R2.196 O=C1COC2=C(Br)C=CC=C12 B47766 [0,1,0,1,0,0|1,0,0]=3 823 B12R2.196 O=C1NCC2=C(Br)C=CC=C12 B14058 [0,1,0,1,0,0|1,0,0]=3 824 B12R2.196 O=C1NCC2=C1C=CC=C2O H48467 [0,1,0,1,0,0|1,0,0]=3 825 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 B47767 [0,1,0,1,0,0|1,0,0]=3 826 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 M52416 [0,1,0,1,0,0|0,0,0]=2 827 B12R2.203 NC1=C2C(=O)NCC2=CC=C1 A14681 [0,1,0,1,0,0|1,0,0]=3 828 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 B49763 [0,1,0,1,0,0|1,0,1]=4 829 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 B49766 [0,1,0,1,0,0|1,0,1]=4 830 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 F52072 [0,1,0,1,0,0|1,0,1]=4 831 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 B64882 [0,1,0,1,0,0|0,0,0]=2 832 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 C51316 [0,1,0,1,0,0|0,0,0]=2 833 B12R2.203 O=C1CCC2=CC=CC(F)=C12 F51324 [0,1,0,1,0,0|0,0,0]=2 834 B12R2.203 O=C1CCC2=CC=CC(O)=C12 H51557 [0,1,0,1,0,0|0,0,0]=2 835 B12R2.203 O=C1COC2=CC=CC(F)=C12 F63171 [0,1,0,1,0,0|1,0,0]=3 836 B12R2.203 O=C1NCC2=CC=CC(Br)=C12 B22172 [0,1,0,1,0,0|1,0,0]=3 837 B12R2.203 O=C1NOC2=CC=CC(F)=C12 F44454 [0,1,0,1,0,0|2,0,0]=4 838 B12R2.203 O=C1OCC2=CC=CC(Br)=C12 B37589 [0,1,0,1,0,0|1,0,0]=3 839 B12R2.203 O[C@H]1CCC2=CC=CC(Br)=C21 B63750 [0,1,0,1,0,0|0,0,2]=4 840 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 M52405 [0,1,0,1,0,0|0,0,0]=2 841 B12R2.612 CC1=CC2=C(C=C1)C(=O)NO2 M48466 [0,1,0,1,0,0|2,0,0]=4 842 B12R2.612 CC1=CC2=C(C=C1)C(=O)OC2 M51553 [0,1,0,1,0,0|1,0,0]=3 843 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 M52880 [0,1,0,1,0,0|1,0,1]=4 844 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 A3834 [0,1,0,1,0,0|0,0,0]=2 845 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 A0622 [0,1,0,1,0,0|1,0,0]=3 846 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 A48453 [0,1,0,1,0,0|1,0,0]=3 847 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 B38120 [0,1,0,1,0,0|1,0,1]=4 848 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 C49774 [0,1,0,1,0,0|1,0,1]=4 849 B12R2.612 N[C@@H]1CCC2=C1C=CC(F)=C2 F52068 [0,1,0,1,0,0|1,0,1]=4 850 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B36894 [0,1,0,1,0,0|1,0,1]=4 851 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63483 [0,1,0,1,0,0|1,0,1]=4 852 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63647 [0,1,0,1,0,0|1,0,1]=4 853 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63729 [0,1,0,1,0,0|1,0,1]=4 854 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C49775 [0,1,0,1,0,0|1,0,1]=4 855 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C49782 [0,1,0,1,0,0|1,0,1]=4 856 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C69644 [0,1,0,1,0,0|1,0,1]=4 857 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 F52071 [0,1,0,1,0,0|1,0,1]=4 858 B12R2.612 O=C1C=CC2=C(CCC2=O)N1 D63506 [0,1,0,1,0,0|1,0,0]=3 859 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 B23186 [0,1,0,1,0,0|0,0,0]=2 860 B12R2.612 O=C1CCC2=C1C=CC(Br)=N2 B61632 [0,1,0,1,0,0|1,0,0]=3 861 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 C39570 [0,1,0,1,0,0|0,0,0]=2 862 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 F51326 [0,1,0,1,0,0|0,0,0]=2 863 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 D9498 [0,1,0,1,0,0|0,0,0]=2 864 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 H38546 [0,1,0,1,0,0|0,0,0]=2 865 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 B47765 [0,1,0,1,0,0|1,0,0]=3 866 B12R2.612 O=C1COC2=C1C=CC(O)=C2 H48209 [0,1,0,1,0,0|1,0,0]=3 867 B12R2.612 O=C1NCC2=C1C=CC(Br)=C2 B14060 [0,1,0,1,0,0|1,0,0]=3 868 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 C38770 [0,1,0,1,0,0|1,0,0]=3 869 B12R2.612 O=C1NCC2=C1C=CC(Cl)=N2 C44838 [0,1,0,1,0,0|2,0,0]=4 870 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 F48097 [0,1,0,1,0,0|1,0,0]=3 871 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 H36793 [0,1,0,1,0,0|1,0,0]=3 872 B12R2.612 O=C1NCC2=CC(Br)=CN=C12 B67339 [0,1,0,1,0,0|2,0,0]=4 873 B12R2.612 O=C1NNC2=C1C=CC(F)=C2 F44842 [0,1,0,1,0,0|2,0,0]=4 874 B12R2.612 O=C1NOC2=C1C=CC(Br)=C2 B38875 [0,1,0,1,0,0|2,0,0]=4 875 B12R2.612 O=C1NOC2=C1C=CC(Cl)=C2 C62237 [0,1,0,1,0,0|2,0,0]=4 876 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 F44455 [0,1,0,1,0,0|2,0,0]=4 877 B12R2.612 O=C1NSC2=C1C=CC(F)=C2 F44556 [0,1,0,1,0,0|2,0,0]=4 878 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 B47768 [0,1,0,1,0,0|1,0,0]=3 879 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 C47780 [0,1,0,1,0,0|1,0,0]=3 880 B12R2.612 O=C1OCC2=C1C=CC(F)=C2 F47783 [0,1,0,1,0,0|1,0,0]=3 881 B12R2.612 O=C1OCC2=C1C=CC(O)=C2 H60961 [0,1,0,1,0,0|1,0,0]=3 882 B12R2.612 O=C1OCC2=CC(Cl)=NC=C12 C14977 [0,1,0,1,0,0|2,0,0]=4 883 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 B52029 [0,1,0,1,0,0|0,0,2]=4 884 B12R2.612 O[C@H]1CCC2=C1C=CC(Cl)=C2 C52041 [0,1,0,1,0,0|0,0,2]=4 885 B12R2.612 O[C@H]1CCC2=C1C=CC(F)=C2 F52046 [0,1,0,1,0,0|0,0,2]=4 886 B12R2.2313 BrC1=CC(C2COC2)=CC=C1 B8384 [0,1,0,1,0,0|2,0,0]=4 887 B12R2.1 C#C[C@H]1CCC2=C1C=CC=C2 E64384 [0,1,0,1,0,0|1,0,1]=4 888 B12R2.1 O=CC1=COC2=C1C=CC=C2 B23789 [0,1,0,1,0,0|0,0,2]=4 889 B12R2.1 O=CC1=CSC2=C1C=CC=C2 B67477 [0,1,0,1,0,0|0,0,2]=4 890 B12R2.1 O=CC1=NNC2=C1C=CC=C2 K9332 [0,1,0,1,0,0|1,0,1]=4 891 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [0,1,0,1,0,0|0,0,0]=2 892 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 G49884 [0,1,0,1,0,0|0,0,2]=4 893 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 P11527 [0,1,0,1,0,0|2,0,0]=4 894 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [0,1,0,1,0,0|0,0,0]=2 895 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O A18987 [0,1,0,1,0,0|1,0,1]=4 896 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O A10679 [0,1,0,1,0,0|1,0,1]=4 897 B8R1.8 CCCC1=CC=CS1 P43744 [1,0,0,0,1,0|1,0,1]=4 898 B8R1.8 NCCC1=CC=CS1 T12818 [1,0,0,0,1,0|2,0,0]=4 899 B8R1.8 NCCC1=CSC=C1 T1049 [1,0,0,0,1,0|2,0,0]=4 900 B8R1.8 NCCC1=CSC=C1 T10491 [1,0,0,0,1,0|2,0,0]=4 901 B8R1.8 NCCN1C=CC=C1 P41427 [1,0,0,0,1,0|2,0,0]=4 902 B8R1.8 OCCC1=CC=CS1 T12817 [1,0,0,0,1,0|1,0,1]=4 903 B8R1.8 OCCC1=CSC=C1 T12832 [1,0,0,0,1,0|1,0,1]=4