0 B10R1.17 BrCCCC1=CC=CN=C1 DY604503 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.17 BrCCOC1=CC=CC=C1 DY20150 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 CCCC[N+]1=CC=CC=C1 DY538095 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.17 CCOCC1=CC=NC=C1 DY657931 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.17 CNCCC1=CC=CC=N1 DY455430 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.17 ClCCCC1=CC=CN=C1 DY656440 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY41818 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY539883 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.17 N#CC#CC1=CC=CC=C1 NO16032 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.17 N#C[Se]CC1=CC=CC=C1 DY822032 [0,0,0,0,0,0|1,1,1]=3 10 B10R1.17 NCCCC1=CC=NC=C1 DY425564 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.17 NCCOC1=CC=CC=C1 NO20484 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.17 NNCCc1ccccc1 DY527511 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.17 O=C=NCC1=CC=CC=C1 DY585959 [0,0,0,0,0,0|1,0,1]=2 14 B10R1.17 O=CC#CC1=CC=CC=C1 NO18196 [0,0,0,0,0,0|1,0,1]=2 15 B10R1.17 O=CCCC1=CC=CN=C1 DY585487 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.17 O=CCSC1=CC=CC=C1 DY566091 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.17 OCCCC1=CC=NC=C1 NO22019 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.17 OC\C=C\C1=CC=CC=C1 DY503697 [0,0,0,0,0,0|1,0,3]=4 19 B9R1.8 BrCCC1=CC=CN=C1 DY608158 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.8 C#CCC1=CC=CC=C1 DY501873 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.8 CCCC1=CC=CN=C1 NO22402 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 CNCC1=CC=CC=C1 DY10559 [1,0,0,0,0,0|1,0,1]=3 23 B9R1.8 CNCC1=CC=CC=C1 DY20323 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.8 CNCC1=CC=CC=C1 DY21006 [1,0,0,0,0,0|1,0,1]=3 25 B9R1.8 CNCC1=CC=CN=C1 NO18846 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 CNCC1=CC=NC=C1 DY712153 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 CNCC1=NC=CC=C1 DY501242 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 CNCC1=NC=CC=C1 DY663671 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.8 COCC1=NC=CC=C1 NO20909 [1,0,0,0,0,0|1,0,1]=3 30 B9R1.8 ClCCC1=CC=NC=C1 NO17913 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 ClCSC1=CC=CC=C1 DY797799 [1,0,0,0,0,0|1,1,1]=4 32 B9R1.8 N#CCC1=CC=CN=C1 NO18407 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.8 N#CCC1=CC=NC=C1 NO20239 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 N#CCC1=NC=CC=C1 NO18926 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.8 N#C[Se]C1=CC=CC=C1 DY822031 [1,0,0,0,0,0|1,1,1]=4 36 B9R1.8 NCCC1=CC=CN=C1 NO21892 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 NCCC1=NC=CC=C1 NO14064 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 NNCC1=CC=CC=C1 NO11006 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 NNCC1=CC=CC=C1 NO12127 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 NNCC1=CC=NC=C1 DY518961 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.8 NNCC1=NC=CC=C1 DY578445 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.8 NOCC1=CC=CC=C1 NO14063 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.8 ONCC1=CC=CC=C1 DY563853 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.8 ONCC1=CC=CC=C1 NO11753 [1,0,0,0,0,0|1,0,1]=3 45 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 NO16393 [0,1,0,0,0,0|1,0,1]=3 46 B11R1.1 CCCCC1=CC=C(C)C=C1 DY791931 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.1 CCOCC1=CC=C(N)C=C1 DY575247 [0,1,0,0,0,0|1,0,1]=3 48 B11R1.1 CCOCC1=CC=C(O)C=C1 NO16541 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.1 CCOCC1=CN=C(Br)C=C1 DY716528 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.1 CNCCC1=CC=C(Cl)C=C1 DY794949 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.1 NCCCC1=CC=C(F)C=C1 DY501891 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 NO14013 [0,1,0,0,0,0|1,0,1]=3 53 B11R1.1 OCCCC1=CC=C(Cl)C=C1 DY797043 [0,1,0,0,0,0|1,0,2]=4 54 B11R1.1 OCCCC1=CC=C(O)C=C1 DY502467 [0,1,0,0,0,0|1,0,2]=4 55 B11R1.16 CC(N=C=O)c1ccccc1 DY587056 [0,1,0,0,0,0|1,0,1]=3 56 B11R1.16 CCOC(=N)C1=CC=CC=C1 DY744223 [0,1,0,0,0,0|1,0,2]=4 57 B11R1.16 CNCC(O)C1=CC=CC=C1 DY446674 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.16 C[C@@H](N=C=S)c1ccccc1 DY543741 [0,1,0,0,0,0|1,1,1]=4 59 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 DY20438 [0,1,0,0,0,0|1,0,1]=3 60 B11R1.16 ClCCC(Cl)C1=CC=CC=C1 DY522237 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 NO21217 [0,1,0,0,0,0|1,0,2]=4 62 B11R1.16 O=[P+](OCO)C1=CC=CC=C1 DY796893 [0,1,0,0,0,0|1,0,2]=4 63 B11R1.16 OC(CCCl)C1=CC=CC=C1 NO22197 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 NO10897 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 DY20313 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.17 C=CCCC1=C(Br)C=NC=C1 DY431688 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.17 CC1=C(CN=[N+]=[N-])C=CC=C1 DY607155 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 DY566061 [0,1,0,0,0,0|1,0,1]=3 69 B11R1.17 OCCCC1=C(O)C=CC=C1 DY791619 [0,1,0,0,0,0|1,0,2]=4 70 B11R1.24 CCNCC1=CC=CC(O)=C1 DY579381 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.24 CNCCC1=CC(C)=CC=C1 DY520263 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.24 FC1=CC=CC(CN=C=S)=C1 DY41079 [0,1,0,0,0,0|1,1,1]=4 73 B11R1.24 O=C=NCC1=CC(F)=CC=C1 DY790131 [0,1,0,0,0,0|1,0,1]=3 74 B11R1.28 BrCCCCC1=CC=CC=C1 DY519843 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.28 BrCCCOC1=CC=CC=C1 NO15031 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.28 BrCCOCC1=CC=CC=C1 NO10998 [0,1,0,0,0,0|1,0,1]=3 77 B11R1.28 CCCCCC1=CC=CC=C1 DY745567 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.28 CCO\C=N\C1=CC=CC=C1 DY566853 [0,1,0,0,0,0|1,0,2]=4 79 B11R1.28 CNCCOC1=CC=CC=C1 DY551817 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.28 N#CCCCC1=CC=CC=C1 DY461028 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.28 NCCOCC1=CC=CC=C1 NO20892 [0,1,0,0,0,0|1,0,1]=3 82 B11R1.28 NOCOCC1=CC=CC=C1 DY798807 [0,1,0,0,0,0|0,0,2]=3 83 B11R1.28 O=CCCCC1=CC=CN=C1 DY657979 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.28 OCCCCC1=CC=CC=C1 NO11170 [0,1,0,0,0,0|1,0,2]=4 85 B11R1.28 OCCOCC1=CC=CC=C1 DY20071 [0,1,0,0,0,0|0,0,2]=3 86 B11R1.40 CCC(N)CC1=CC=CC=C1 DY538887 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.40 N#CC(N)CC1=CC=CC=C1 DY581085 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 DY569337 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.40 NCC(O)CC1=CC=CC=C1 DY745903 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 DY425862 [0,1,0,0,0,0|1,0,2]=4 91 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 NO21216 [0,1,0,0,0,0|1,0,2]=4 92 B11R1.40 [C-]#[N+][C@@H](C)CC1=CC=CC=C1 DY744979 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.91 CC(=O)CCC1=CC=CN=C1 DY560043 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.91 CC(O)CCC1=CC=CC=C1 DY746761 [0,1,0,0,0,0|1,0,2]=4 95 B11R1.91 N=C(N)CCC1=NC=CC=C1 DY459714 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.91 N=C(N)NCC1=CC=NC=C1 DY712375 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.91 NC(=O)CCC1=NC=CC=C1 DY713935 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 NO21725 [0,1,0,0,0,0|1,0,1]=3 99 B11R1.91 O=C(O)C#CC1=CC=CC=C1 NO10957 [0,1,0,0,0,0|1,0,1]=3 100 B11R1.91 O=C(O)CCC1=CC=CC=C1 DY556977 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.91 O=C(O)CNc1ccccc1 DY439073 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.91 O=C(O)CSC1=CC=NC=C1 DY503439 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.91 O=C(O)CSC1=NC=CC=C1 DY500080 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 DY20186 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 DY20799 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 NO20444 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.91 OB(O)CCC1=CC=CC=C1 DY453988 [0,1,0,0,0,0|2,0,1]=4 108 B11R2.1 BrC1=COC2=C1C=CC=C2 NO20626 [0,0,0,1,0,0|3,0,0]=4 109 B11R2.1 CC1=CCC2=CC=CC=C12 DY106180 [0,0,0,1,0,0|2,0,0]=3 110 B11R2.1 CC1=CNC2=CC=CC=C12 NO11030 [0,0,0,1,0,0|3,0,0]=4 111 B11R2.1 CC1=NNC2=CC=CC=C21 NO17372 [0,0,0,1,0,0|3,0,0]=4 112 B11R2.1 CC1=NOC2=C1C=CC=C2 NO22352 [0,0,0,1,0,0|3,0,0]=4 113 B11R2.1 ClC1=NOC2=C1C=CC=C2 NO19970 [0,0,0,1,0,0|3,0,0]=4 114 B11R2.1 IC1=CSC2=C1C=CC=C2 NO22329 [0,0,0,1,0,0|3,0,0]=4 115 B11R2.1 NC1=C2C=CC=CC2=NS1 DY751663 [0,0,0,1,0,0|2,1,0]=4 116 B11R2.1 NC1=CNC2=CC=CC=C12 DY585665 [0,0,0,1,0,0|3,0,0]=4 117 B11R2.1 NC1=CNC2=CC=CC=C12 DY585666 [0,0,0,1,0,0|3,0,0]=4 118 B11R2.1 NC1=CSC2=C1C=CC=C2 NO13998 [0,0,0,1,0,0|3,0,0]=4 119 B11R2.1 NC1=NCC2=CC=CC=C21 DY459738 [0,0,0,1,0,0|2,0,0]=3 120 B11R2.1 NC1=NNC2=CC=CC=C21 NO20708 [0,0,0,1,0,0|3,0,0]=4 121 B11R2.1 NC1=NOC2=C1C=CC=C2 NO20240 [0,0,0,1,0,0|3,0,0]=4 122 B11R2.1 NC1=NSC2=C1C=CC=C2 NO13975 [0,0,0,1,0,0|3,0,0]=4 123 B11R2.1 NC1CCC2=CC=CC=C21 NO19275 [0,0,0,1,0,0|2,0,1]=4 124 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 NO19803 [0,0,0,1,0,0|2,0,1]=4 125 B11R2.1 N[C@H]1CCC2=CC=CC=C21 NO16005 [0,0,0,1,0,0|2,0,1]=4 126 B11R2.1 N[C@H]1CCC2=CC=CC=C21 NO20307 [0,0,0,1,0,0|2,0,1]=4 127 B11R2.1 O=C1CCC2=CC=CC=C12 NO18668 [0,0,0,1,0,0|1,0,0]=2 128 B11R2.1 O=C1CCC2=CC=CN=C12 NO10816 [0,0,0,1,0,0|2,0,0]=3 129 B11R2.1 O=C1CCC2=NC=CC=C12 NO18212 [0,0,0,1,0,0|2,0,0]=3 130 B11R2.1 O=C1COC2=NC=CC=C12 DY441318 [0,0,0,1,0,0|3,0,0]=4 131 B11R2.1 O=C1CSC2=C1C=CC=C2 NO20606 [0,0,0,1,0,0|2,0,0]=3 132 B11R2.1 O=C1N=NC2=CC=CC=C12 DY762524 [0,0,0,1,0,0|2,0,0]=3 133 B11R2.1 O=C1NCC2=CC=CC=C12 NO11515 [0,0,0,1,0,0|1,0,0]=2 134 B11R2.1 O=C1NCC2=NC=CC=C12 DY553185 [0,0,0,1,0,0|2,0,0]=3 135 B11R2.1 O=C1NNC2=CC=CN=C12 NO16829 [0,0,0,1,0,0|3,0,0]=4 136 B11R2.1 O=C1NNC2=CN=CC=C12 DY33248 [0,0,0,1,0,0|3,0,0]=4 137 B11R2.1 O=C1NNC2=NC=CC=C12 NO13662 [0,0,0,1,0,0|3,0,0]=4 138 B11R2.1 O=C1NSC2=C1C=CC=C2 NO14057 [0,0,0,1,0,0|2,0,0]=3 139 B11R2.1 O=C1OCC2=CC=CC=C12 NO11853 [0,0,0,1,0,0|0,0,0]=1 140 B11R2.1 O=C1OCC2=NC=CC=C12 NO11423 [0,0,0,1,0,0|1,0,0]=2 141 B11R2.1 O[C@@H]1CCC2=CC=CC=C21 DY567765 [0,0,0,1,0,0|1,0,2]=4 142 B11R2.1 [O-][N+]1=C2C=CC=CC2=NO1 DY752665 [0,0,0,1,0,0|2,0,1]=4 143 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 DY559809 [0,0,0,1,0,0|2,0,1]=4 144 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 DY537225 [0,0,0,1,0,0|2,0,1]=4 145 B11R2.20 C1=CC=C2C=NC=CC2=C1 NO19770 [0,0,0,1,0,0|2,0,1]=4 146 B11R2.20 C1=CC=C2CNCCC2=C1 NO19412 [0,0,0,1,0,0|2,0,1]=4 147 B11R2.20 C1=CC=C2COCCC2=C1 NO19933 [0,0,0,1,0,0|1,0,1]=3 148 B11R2.20 C1=CC=C2N=CC=CC2=C1 NO11929 [0,0,0,1,0,0|2,0,1]=4 149 B11R2.20 C1=CC=C2N=CC=NC2=C1 NO11932 [0,0,0,1,0,0|3,0,0]=4 150 B11R2.20 C1=CC=C2N=CN=CC2=C1 NO11926 [0,0,0,1,0,0|2,0,1]=4 151 B11R2.20 C1=CC=C2N=NC=CC2=C1 NO11145 [0,0,0,1,0,0|3,0,0]=4 152 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 NO19482 [0,0,0,1,0,0|2,0,1]=4 153 B11R2.239 C1=CC=C(C2CCO2)C=C1 DY732709 [0,0,0,1,0,0|1,0,1]=3 154 B9R1.12 CCOCC1=CC=CO1 NO17009 [0,0,0,0,1,0|2,0,1]=4 155 B8R1.2 BrCC1=CC=NC=C1 NO22459 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.2 C#CC1=CC=CC=C1 NO19127 [2,0,0,0,0,0|0,0,2]=4 157 B8R1.2 C=CC1=CC=CN=C1 DY507011 [2,0,0,0,0,0|1,0,1]=4 158 B8R1.2 CCC1=CC=CN=C1 NO22277 [2,0,0,0,0,0|1,0,1]=4 159 B8R1.2 CNC1=CC=CC=C1 NO11792 [2,0,0,0,0,0|1,0,1]=4 160 B8R1.2 COC1=CC=CN=C1 NO22348 [2,0,0,0,0,0|1,0,1]=4 161 B8R1.2 COC1=CC=NC=C1 NO19206 [2,0,0,0,0,0|1,0,1]=4 162 B8R1.2 COC1=CC=[C-]C=C1 DY747109 [2,0,0,0,0,0|0,0,2]=4 163 B8R1.2 COC1=NC=CC=C1 NO18780 [2,0,0,0,0,0|1,0,1]=4 164 B8R1.2 ClCC1=CC=CN=C1 NO19291 [2,0,0,0,0,0|2,0,0]=4 165 B8R1.2 ClCC1=NC=CC=C1 NO19289 [2,0,0,0,0,0|2,0,0]=4 166 B8R1.2 ClSC1=CC=CC=C1 DY799077 [2,0,0,0,0,0|1,1,0]=4 167 B8R1.2 ICC1=CC=CC=C1 NO11000 [2,0,0,0,0,0|1,0,0]=3 168 B8R1.2 N#Cc1ccccc1 NO13696 [2,0,0,0,0,0|1,0,1]=4 169 B8R1.2 NCC1=CC=CN=C1 NO14226 [2,0,0,0,0,0|2,0,0]=4 170 B8R1.2 NCC1=CC=NC=C1 NO11906 [2,0,0,0,0,0|2,0,0]=4 171 B8R1.2 NCC1=CC=NC=C1 NO19023 [2,0,0,0,0,0|2,0,0]=4 172 B8R1.2 NCC1=NC=CC=C1 DY663911 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.2 NNC1=CC=CC=C1 NO15210 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.2 O=CC1=CC=NC=C1 DY458075 [2,0,0,0,0,0|1,0,0]=3 175 B8R1.2 O=CC1=CN=CC=C1 NO19090 [2,0,0,0,0,0|1,0,0]=3 176 B8R1.2 O=CC1=CN=CN=C1 NO19643 [2,0,0,0,0,0|2,0,0]=4 177 B8R1.2 O=CC1=NC=CC=C1 NO18610 [2,0,0,0,0,0|1,0,0]=3 178 B8R1.2 O=CC1=NC=CN=C1 NO18375 [2,0,0,0,0,0|2,0,0]=4 179 B8R1.2 OCC1=CC=CN=C1 NO22409 [2,0,0,0,0,0|1,0,0]=3 180 B8R1.2 OCC1=CC=CN=N1 NO21870 [2,0,0,0,0,0|2,0,0]=4 181 B8R1.2 OCC1=CC=NC=C1 NO19163 [2,0,0,0,0,0|1,0,0]=3 182 B8R1.2 OCC1=CN=CN=C1 DY444370 [2,0,0,0,0,0|2,0,0]=4 183 B8R1.2 OCC1=NC=CC=C1 NO19164 [2,0,0,0,0,0|1,0,0]=3 184 B8R1.2 OCC1=NC=CC=N1 NO19924 [2,0,0,0,0,0|2,0,0]=4 185 B8R1.2 OCC1=NC=CN=C1 NO21749 [2,0,0,0,0,0|2,0,0]=4 186 B8R1.2 OCC1=NC=NC=C1 NO11915 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.1 BrCCC1=CC=C(Br)C=C1 DY531753 [1,1,0,0,0,0|1,0,1]=4 188 B10R1.1 CC1=CC=C(CC#N)C=C1 NO21709 [1,1,0,0,0,0|1,0,1]=4 189 B10R1.1 CC1=CC=C(CCBr)C=C1 NO19977 [1,1,0,0,0,0|1,0,1]=4 190 B10R1.1 CC1=CC=C(CCN)C=C1 NO18979 [1,1,0,0,0,0|1,0,1]=4 191 B10R1.1 CC1=CC=C(CNN)C=C1 NO20201 [1,1,0,0,0,0|2,0,0]=4 192 B10R1.1 CCCC1=CC=C(Br)C=C1 NO10896 [1,1,0,0,0,0|1,0,1]=4 193 B10R1.1 CCOC1=CC=C(I)C=C1 NO22907 [1,1,0,0,0,0|1,0,1]=4 194 B10R1.1 CCOC1=CC=C(N)C=C1 NO11879 [1,1,0,0,0,0|1,0,1]=4 195 B10R1.1 CCOC1=CC=C(O)C=C1 DY563859 [1,1,0,0,0,0|1,0,1]=4 196 B10R1.1 CNCC1=CC=C(Br)C=C1 NO19272 [1,1,0,0,0,0|1,0,1]=4 197 B10R1.1 CNCC1=CC=C(C)C=C1 NO11795 [1,1,0,0,0,0|1,0,1]=4 198 B10R1.1 CNCC1=CC=C(Cl)C=C1 DY455886 [1,1,0,0,0,0|1,0,1]=4 199 B10R1.1 CNCC1=CC=C(F)C=C1 DY585104 [1,1,0,0,0,0|1,0,1]=4 200 B10R1.1 COCC1=CC=C(O)C=N1 DY712897 [1,1,0,0,0,0|1,0,1]=4 201 B10R1.1 ClC1=CC=C(CCBr)C=C1 NO10835 [1,1,0,0,0,0|1,0,1]=4 202 B10R1.1 FC1=CC=C(CCBr)C=C1 NO10866 [1,1,0,0,0,0|1,0,1]=4 203 B10R1.1 FC1=CC=C(CCCl)C=C1 DY584346 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.1 N#CCC1=CC=C(Br)C=C1 NO20687 [1,1,0,0,0,0|1,0,1]=4 205 B10R1.1 N#CCC1=CC=C(Cl)C=C1 DY20790 [1,1,0,0,0,0|1,0,1]=4 206 B10R1.1 N#CCC1=CC=C(F)C=C1 NO14479 [1,1,0,0,0,0|1,0,1]=4 207 B10R1.1 N#CCC1=CC=C(O)C=C1 DY522681 [1,1,0,0,0,0|1,0,1]=4 208 B10R1.1 NC1=CC=C(CCO)C=C1 NO13450 [1,1,0,0,0,0|0,0,2]=4 209 B10R1.1 NCCC1=CC=C(Br)C=C1 NO19296 [1,1,0,0,0,0|1,0,1]=4 210 B10R1.1 NCCC1=CC=C(F)C=C1 NO13766 [1,1,0,0,0,0|1,0,1]=4 211 B10R1.1 NNCC1=CC=C(Cl)C=C1 DY570291 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.1 NNCC1=CC=C(Cl)C=C1 DY583979 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.1 NNCC1=CC=C(F)C=C1 DY567861 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.1 NNCC1=CC=C(F)C=C1 NO17057 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.1 O=C=NC1=CC=C(F)C=C1 DY33036 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.1 O=CCC1=CC=C(Br)C=C1 NO18203 [1,1,0,0,0,0|0,0,0]=2 217 B10R1.1 OCCC1=CC=C(Br)C=C1 NO14491 [1,1,0,0,0,0|0,0,2]=4 218 B10R1.1 OCCC1=CC=C(Cl)C=C1 NO22791 [1,1,0,0,0,0|0,0,2]=4 219 B10R1.1 OCCC1=CC=C(O)C=C1 NO20458 [1,1,0,0,0,0|0,0,2]=4 220 B10R1.4 C=CCC1=C(C)C=CN=C1 DY451588 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.4 C=CCC1=COC=CC1=O DY777394 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.4 CCOC1=C(Br)C=CC=C1 DY20149 [1,1,0,0,0,0|1,0,1]=4 223 B10R1.4 CCOC1=C(F)C=CC=C1 DY452620 [1,1,0,0,0,0|1,0,1]=4 224 B10R1.4 CNCC1=C(Br)C=CC=C1 DY455892 [1,1,0,0,0,0|1,0,1]=4 225 B10R1.4 COCC1=C(Br)C=NC=C1 DY714049 [1,1,0,0,0,0|1,0,1]=4 226 B10R1.4 N#CCC1=C(Br)C=CC=C1 NO10707 [1,1,0,0,0,0|1,0,1]=4 227 B10R1.4 N#CCC1=C(Cl)C=CC=C1 NO21495 [1,1,0,0,0,0|1,0,1]=4 228 B10R1.4 N#CCC1=C(F)C=CC=C1 NO20772 [1,1,0,0,0,0|1,0,1]=4 229 B10R1.4 N#CCC1=C(N)C=CC=C1 NO20914 [1,1,0,0,0,0|1,0,1]=4 230 B10R1.4 NCCC1=C(Br)C=CC=C1 NO15138 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.4 NCCC1=C(F)C=CC=C1 NO14793 [1,1,0,0,0,0|1,0,1]=4 232 B10R1.4 NCCC1=C(N)C=CC=C1 DY584423 [1,1,0,0,0,0|1,0,1]=4 233 B10R1.4 NCCC1=C(N)C=CC=C1 NO15970 [1,1,0,0,0,0|1,0,1]=4 234 B10R1.4 NNCC1=C(F)C=CC=C1 NO20134 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.4 O=C=NC1=C(Br)C=CC=C1 DY41031 [1,1,0,0,0,0|1,0,1]=4 236 B10R1.4 O=C=NC1=C(Cl)C=CC=C1 DY789879 [1,1,0,0,0,0|1,0,1]=4 237 B10R1.4 OCCC1=C(Br)C=CC=C1 NO21407 [1,1,0,0,0,0|0,0,2]=4 238 B10R1.4 OCCC1=C(I)C=CC=C1 DY545007 [1,1,0,0,0,0|0,0,2]=4 239 B10R1.10 CC1=CC(CC#N)=CC=C1 NO18941 [1,1,0,0,0,0|1,0,1]=4 240 B10R1.10 CC1=CC(CCO)=CC=C1 NO22372 [1,1,0,0,0,0|0,0,2]=4 241 B10R1.10 CC1=CC=CC(CNN)=C1 DY514611 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.10 CNCC1=CC(Cl)=CC=C1 DY456640 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.10 CNCC1=CC=CC(N)=C1 DY789483 [1,1,0,0,0,0|1,0,1]=4 244 B10R1.10 COCC1=CC(Br)=NC=C1 DY655107 [1,1,0,0,0,0|1,0,1]=4 245 B10R1.10 Clc1cccc(CCBr)c1 DY584685 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.10 N#CCC1=CC(Br)=CC=C1 NO18969 [1,1,0,0,0,0|1,0,1]=4 247 B10R1.10 N#CCC1=CC(Cl)=CC=C1 NO13745 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.10 N#CCC1=CC(F)=CC=C1 DY20212 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.10 N#CCC1=CC(I)=CC=C1 DY584378 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.10 NC1=CC=CC(CCO)=C1 NO22105 [1,1,0,0,0,0|0,0,2]=4 251 B10R1.10 NCCC1=CC(Br)=CC=C1 NO15159 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.10 NCCc1cccc(O)c1 DY552393 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.10 NNCC1=CC(Cl)=CC=C1 DY544953 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.10 NNCC1=CC(O)=CC=C1 DY10382 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.10 O=C=NC1=CC(F)=CC=C1 DY41043 [1,1,0,0,0,0|1,0,1]=4 256 B10R1.10 OCCC1=CC(Br)=CC=C1 NO22186 [1,1,0,0,0,0|0,0,2]=4 257 B10R1.10 OCCC1=CC(Cl)=CC=C1 NO22241 [1,1,0,0,0,0|0,0,2]=4 258 B10R1.15 C#CC(O)C1=CC=CC=C1 DY460116 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 DY565311 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.15 CC(CN)C1=CC=CC=C1 DY822021 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.15 CCC(C)C1=CC=CC=C1 NO11947 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.15 CCC(O)C1=CC=CC=C1 DY580677 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.15 CC[C@H](N)C1=CC=CC=C1 DY20337 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.15 CN(C=O)C1=CC=CC=C1 NO11793 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.15 CN(C=O)C1=NC=CC=C1 DY566547 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.15 COS(=O)C1=CC=CC=C1 DY566439 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 NO10909 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.15 NC(CO)C1=CC=CC=C1 NO15860 [1,1,0,0,0,0|0,0,2]=4 269 B10R1.15 NC[C@H](O)C1=CC=CC=C1 NO20485 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 NO10553 [1,1,0,0,0,0|0,0,2]=4 271 B10R1.15 N[C@H](CO)C1=CC=CC=C1 NO10555 [1,1,0,0,0,0|0,0,2]=4 272 B10R1.15 O=NN(O)C1=CC=CC=C1 DY791781 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.15 O=NN([O-])c1ccccc1 DY822384 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.15 OC(CBr)C1=CC=CC=C1 NO18840 [1,1,0,0,0,0|1,0,1]=4 275 B10R1.15 OC[C@@H](O)c1ccccc1 DY459384 [1,1,0,0,0,0|0,0,2]=4 276 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 DY608146 [1,1,0,0,0,0|1,0,1]=4 277 B10R1.18 BrC(Br)=CC1=CC=CC=C1 NO16193 [1,1,0,0,0,0|1,0,1]=4 278 B10R1.18 CC(=O)CC1=CC=CN=C1 DY567891 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.18 CC(=O)CC1=CC=NC=C1 NO20988 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.18 CC(=O)CC1=NC=CC=C1 NO20802 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.18 N=C(N)CC1=CC=CN=C1 DY610010 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.18 NC(=O)CC1=NC=CC=N1 NO17323 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.18 NC(=O)NC1=CC=CC=C1 NO10533 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.18 O=C(Cl)OC1=CC=CC=C1 NO18823 [1,1,0,0,0,0|0,0,0]=2 285 B10R1.18 O=C(O)CC1=CC=CN=C1 NO20325 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.18 O=C(O)CC1=CC=NC=C1 NO20327 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.18 O=C(O)CC1=CN=CN=C1 NO10494 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.18 O=C([O-])CC1=NC=CC=C1 DY716949 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.18 O=C([O-])CC1=NC=CC=N1 DY564507 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.18 O=S([O-])CC1=CC=CC=C1 DY745429 [1,1,0,0,0,0|0,1,0]=3 291 B10R1.18 O=[N+]([O-])SC1=CC=CC=C1 DY791007 [1,1,0,0,0,0|1,1,0]=4 292 B10R1.66 O=C(O)CCC1=CC=CN1 NO21786 [0,1,0,0,1,0|2,0,0]=4 293 B12R1.1 C=CCNCC1=CC=C(F)C=C1 DY611035 [0,2,0,0,0,0|2,0,0]=4 294 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 NO14964 [0,2,0,0,0,0|1,0,0]=3 295 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 DY41308 [0,2,0,0,0,0|1,0,1]=4 296 B12R1.21 NC(=[NH2+])SCC1=CC=C(Cl)C=C1 DY745675 [0,2,0,0,0,0|1,1,0]=4 297 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 NO21832 [0,2,0,0,0,0|1,0,0]=3 298 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 NO15944 [0,2,0,0,0,0|2,0,0]=4 299 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 NO17825 [0,2,0,0,0,0|2,0,0]=4 300 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 DY584672 [0,2,0,0,0,0|2,0,0]=4 301 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 DY451168 [0,2,0,0,0,0|1,0,0]=3 302 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 NO21674 [0,2,0,0,0,0|1,0,0]=3 303 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 NO19854 [0,2,0,0,0,0|1,0,0]=3 304 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 NO21107 [0,2,0,0,0,0|1,0,0]=3 305 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 DY535089 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 NO21504 [0,2,0,0,0,0|1,0,1]=4 307 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 NO15820 [0,2,0,0,0,0|1,0,1]=4 308 B12R1.49 C\C(C=O)=C/C1=CC=C(Br)C=C1 DY788637 [0,2,0,0,0,0|1,0,1]=4 309 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 DY544053 [0,2,0,0,0,0|1,0,1]=4 310 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 DY744337 [0,2,0,0,0,0|1,0,1]=4 311 B12R1.385 O=CCCC1=CC(Br)=C(F)C=C1 DY513777 [0,2,0,0,0,0|1,0,0]=3 312 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 DY610856 [0,2,0,0,0,0|2,0,0]=4 313 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 DY553521 [0,2,0,0,0,0|2,0,0]=4 314 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 DY459348 [0,2,0,0,0,0|1,0,1]=4 315 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 NO20300 [0,2,0,0,0,0|2,0,0]=4 316 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 NO17400 [0,2,0,0,0,0|1,0,1]=4 317 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 DY746665 [0,2,0,0,0,0|2,0,0]=4 318 B12R1.121 COC1=C(OCC=O)C=CC=C1 DY112452 [0,2,0,0,0,0|2,0,0]=4 319 B12R1.121 COC1=C(\C=C\C=O)C=CC=C1 NO15311 [0,2,0,0,0,0|1,0,1]=4 320 B12R1.121 O=CCCC1=C(CCl)C=CC=C1 DY503721 [0,2,0,0,0,0|1,0,0]=3 321 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 DY541725 [0,2,0,0,0,0|1,0,0]=3 322 B12R1.125 CC1=C(CCC(=O)O)C=CN=C1 DY656458 [0,2,0,0,0,0|2,0,0]=4 323 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 DY535083 [0,2,0,0,0,0|2,0,0]=4 324 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 NO21656 [0,2,0,0,0,0|1,0,0]=3 325 B12R1.125 O=C(O)CCC1=NC=CC=C1Br DY656434 [0,2,0,0,0,0|2,0,0]=4 326 B12R1.125 O=C(O)CCN1C=CC=CC1=O NO12670 [0,2,0,0,0,0|2,0,0]=4 327 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 DY700615 [0,2,0,0,0,0|2,0,0]=4 328 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 DY461268 [0,2,0,0,0,0|1,0,1]=4 329 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 NO10967 [0,2,0,0,0,0|1,0,1]=4 330 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 DY461274 [0,2,0,0,0,0|1,0,1]=4 331 B12R1.1631 O=CCCC1=C(Cl)C=CC=C1Cl DY504549 [0,2,0,0,0,0|1,0,0]=3 332 B12R1.100 O=CCCC1=CC(Cl)=CC(Cl)=C1 DY582471 [0,2,0,0,0,0|1,0,0]=3 333 B12R1.226 CC(=O)OCC1=NC=CC(I)=C1 DY796443 [0,2,0,0,0,0|1,0,0]=3 334 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 DY457048 [0,2,0,0,0,0|2,0,0]=4 335 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 NO21658 [0,2,0,0,0,0|1,0,0]=3 336 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 NO13948 [0,2,0,0,0,0|1,0,0]=3 337 B12R1.226 O=C(O)COC1=CC(Br)=CC=C1 DY532971 [0,2,0,0,0,0|2,0,0]=4 338 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 NO21499 [0,2,0,0,0,0|1,0,1]=4 339 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 NO21503 [0,2,0,0,0,0|1,0,1]=4 340 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 NO10976 [0,2,0,0,0,0|1,0,1]=4 341 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 DY524049 [0,2,0,0,0,0|0,0,0]=2 342 B12R1.27 COC(=O)CCC1=CC=CC=C1 DY433965 [0,2,0,0,0,0|1,0,0]=3 343 B12R1.27 COC(=O)CCC1=CC=NC=C1 DY662376 [0,2,0,0,0,0|2,0,0]=4 344 B12R1.27 COC(=O)CCC1=NC=CC=C1 DY713929 [0,2,0,0,0,0|2,0,0]=4 345 B12R1.27 COC(=O)CNC1=CC=CC=C1 DY543123 [0,2,0,0,0,0|2,0,0]=4 346 B12R1.27 NNC(=O)OCC1=CC=CC=C1 NO20449 [0,2,0,0,0,0|0,0,0]=2 347 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 NO19947 [0,2,0,0,0,0|0,0,0]=2 348 B12R1.27 O=C(CO)OCC1=CC=CC=C1 DY547407 [0,2,0,0,0,0|0,0,0]=2 349 B12R1.32 CC(CC1=CC=CC=C1)NC=O DY541845 [0,2,0,0,0,0|1,0,0]=3 350 B12R1.252 CC(=O)NCCC1=CC=CC=C1 DY459522 [0,2,0,0,0,0|1,0,0]=3 351 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 NO20248 [0,2,0,0,0,0|0,0,2]=4 352 B12R1.252 N=C(N)CCCC1=CC=CC=C1 DY608227 [0,2,0,0,0,0|2,0,0]=4 353 B12R1.252 NC(=S)COCC1=CC=CC=C1 DY430689 [0,2,0,0,0,0|0,1,0]=3 354 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 DY537141 [0,2,0,0,0,0|0,0,0]=2 355 B12R1.252 O=C(O)CCCC1=CC=NC=C1 DY503007 [0,2,0,0,0,0|2,0,0]=4 356 B12R1.252 O=C(O)CCCC1=NC=CC=C1 NO12802 [0,2,0,0,0,0|2,0,0]=4 357 B12R1.252 O=C(O)CNCC1=CC=CC=C1 NO21182 [0,2,0,0,0,0|1,0,0]=3 358 B12R1.252 O=C(O)CNCC1=CC=NC=C1 DY702829 [0,2,0,0,0,0|2,0,0]=4 359 B12R1.252 O=C(O)COCC1=CC=CC=C1 NO14115 [0,2,0,0,0,0|0,0,0]=2 360 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O DY20809 [0,2,0,0,0,0|2,0,0]=4 361 B12R1.43 NC(=O)C(N)Cc1ccccc1 DY438080 [0,2,0,0,0,0|1,0,0]=3 362 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O NO18748 [0,2,0,0,0,0|1,0,0]=3 363 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O NO18803 [0,2,0,0,0,0|2,0,0]=4 364 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O NO15443 [0,2,0,0,0,0|1,0,0]=3 365 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O NO21178 [0,2,0,0,0,0|1,0,0]=3 366 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O DY20764 [0,2,0,0,0,0|2,0,0]=4 367 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 DY624949 [0,2,0,0,0,0|1,0,0]=3 368 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 NO21095 [0,2,0,0,0,0|1,0,0]=3 369 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 NO15800 [0,2,0,0,0,0|1,0,0]=3 370 B12R1.43 [15NH2]C(CC1=CC=CC=C1)C(=O)O DY454731 [0,2,0,0,0,0|1,0,0]=3 371 B12R1.891 C[Si](C)(C)OCC1=CC=CC=C1 DY791577 [0,2,0,0,0,0|1,1,0]=4 372 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 NO21739 [0,2,0,0,0,0|2,0,0]=4 373 B12R1.891 O=S(=O)(Cl)NCC1=CC=CC=C1 DY560691 [0,2,0,0,0,0|2,0,0]=4 374 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DY20326 [1,0,0,1,0,0|0,0,1]=3 375 B10R2.7 C1=CC2=C(C=C1)CSC2 DY114506 [1,0,0,1,0,0|0,1,1]=4 376 B10R2.7 C1=CC2=C(C=C1)OC=N2 NO10994 [1,0,0,1,0,0|1,0,0]=3 377 B10R2.7 C1=CC2=C(C=C1)OCC2 NO20929 [1,0,0,1,0,0|0,0,2]=4 378 B10R2.7 C1=CC2=C(C=C1)SC=C2 NO16362 [1,0,0,1,0,0|0,1,1]=4 379 B10R2.7 C1=CC2=C(C=C1)SC=N2 NO10992 [1,0,0,1,0,0|1,1,0]=4 380 B10R2.7 C1=CC2=C(C=CO2)C=N1 DY545679 [1,0,0,1,0,0|2,0,0]=4 381 B10R2.7 C1=CC2=CNN=C2C=C1 DY761306 [1,0,0,1,0,0|2,0,0]=4 382 B10R2.7 C1=CC2=NON=C2C=C1 NO10977 [1,0,0,1,0,0|2,0,0]=4 383 B10R2.7 C1=CC=C2CC=CC2=C1 DY20914 [1,0,0,1,0,0|1,0,0]=3 384 B10R2.7 C1=CC=C2CNCC2=C1 NO11516 [1,0,0,1,0,0|1,0,1]=4 385 B10R2.7 C1=CC=C2NC=CC2=C1 NO11496 [1,0,0,1,0,0|1,0,1]=4 386 B10R2.7 C1=CC=C2NCCC2=C1 NO19084 [1,0,0,1,0,0|1,0,1]=4 387 B10R2.7 C1=CC=C2NN=CC2=C1 NO11488 [1,0,0,1,0,0|2,0,0]=4 388 B10R2.7 C1=CC=C2OC=CC2=C1 NO11169 [1,0,0,1,0,0|1,0,0]=3 389 B10R2.7 [C-]1=CSC2=CC=CC=C12 DY752635 [1,0,0,1,0,0|0,1,1]=4 390 B10R2.320 BrC1CC2=CC=CC=C21 DY539943 [1,0,0,1,0,0|1,0,1]=4 391 B12R2.24 BrC1=CC=C2CCC=CC2=C1 DY763124 [0,1,0,1,0,0|2,0,0]=4 392 B12R2.24 BrC1=CC=C2CCOCC2=C1 NO16547 [0,1,0,1,0,0|1,0,1]=4 393 B12R2.24 BrC1=CC=C2COCCC2=C1 DY441107 [0,1,0,1,0,0|1,0,1]=4 394 B12R2.24 O=C1C=C2C=CC=CC2=NN1 NO16596 [0,1,0,1,0,0|2,0,0]=4 395 B12R2.24 O=C1C=CC2=CC=CC=C2O1 DY507548 [0,1,0,1,0,0|1,0,1]=4 396 B12R2.24 O=C1CCC2=C(C1)N=CC=C2 DY798129 [0,1,0,1,0,0|2,0,0]=4 397 B12R2.24 O=C1CCC2=CC=CC=C2N1 NO11038 [0,1,0,1,0,0|1,0,0]=3 398 B12R2.24 O=C1COC2=C(C=CC=C2)N1 NO21568 [0,1,0,1,0,0|2,0,0]=4 399 B12R2.24 O=C1COC2=CC=CC=C2C1 DY681882 [0,1,0,1,0,0|2,0,0]=4 400 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 DY558855 [0,1,0,1,0,0|2,0,0]=4 401 B12R2.24 O=C1N=CC2=CC=CC=C2N1 DY782536 [0,1,0,1,0,0|1,0,1]=4 402 B12R2.24 OC1=CC=C2OC=CCC2=C1 DY755551 [0,1,0,1,0,0|1,0,1]=4 403 B12R2.132 NC1=CC2=C(C=C1)COB2O DY508946 [0,1,0,1,0,0|1,0,1]=4 404 B12R2.132 NC1=CC=C2COC(=O)C2=C1 DY456694 [0,1,0,1,0,0|0,0,0]=2 405 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 NO13722 [0,1,0,1,0,0|1,0,0]=3 406 B12R2.132 O=C1CCC2=CC=C(I)C=C12 NO19840 [0,1,0,1,0,0|1,0,0]=3 407 B12R2.132 O=C1CCC2=CC=C(O)C=C12 NO15371 [0,1,0,1,0,0|1,0,0]=3 408 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 NO18239 [0,1,0,1,0,0|2,0,0]=4 409 B12R2.132 O=C1NCC2=C1C=C(Br)N=C2 DY521391 [0,1,0,1,0,0|2,0,0]=4 410 B12R2.132 O=C1NCC2=CC=C(Br)C=C12 NO14261 [0,1,0,1,0,0|1,0,0]=3 411 B12R2.132 O=C1NCC2=CC=C(O)C=C12 DY565923 [0,1,0,1,0,0|1,0,0]=3 412 B12R2.132 O=C1NCC2=NC=C(Br)C=C12 NO17280 [0,1,0,1,0,0|2,0,0]=4 413 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 NO15251 [0,1,0,1,0,0|2,0,0]=4 414 B12R2.132 O=C1NOC2=C1C=C(F)C=C2 NO16834 [0,1,0,1,0,0|2,0,0]=4 415 B12R2.132 O=C1OCC2=CC=C(Br)C=C12 NO12535 [0,1,0,1,0,0|0,0,0]=2 416 B12R2.132 O=C1OCC2=CC=C(Cl)C=C12 DY456700 [0,1,0,1,0,0|0,0,0]=2 417 B12R2.132 O=C1ONC2=C1C=C(Cl)C=C2 DY751765 [0,1,0,1,0,0|1,0,0]=3 418 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 DY114862 [0,1,0,1,0,0|1,0,1]=4 419 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 NO10486 [0,1,0,1,0,0|1,0,1]=4 420 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 DY773661 [0,1,0,1,0,0|1,0,1]=4 421 B12R2.2 C1=CC=C(C2=NOC=C2)C=C1 DY763040 [0,1,0,1,0,0|1,0,1]=4 422 B12R2.2 C1=CC=C(N2C=CCC2)C=C1 DY779164 [0,1,0,1,0,0|2,0,0]=4 423 B12R2.2 C1=CC=C(N2CC=CC2)C=C1 DY779152 [0,1,0,1,0,0|2,0,0]=4 424 B12R2.27 OC[C@@H]1O[C@H]1c2ccccc2 DY788631 [0,1,0,1,0,0|0,0,2]=4 425 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 DY620016 [0,1,0,1,0,0|0,0,2]=4 426 B12R2.1081 ClC1=C2CCC=CC2=CC=C1 DY764075 [0,1,0,1,0,0|2,0,0]=4 427 B12R2.1081 O=C1C=CNC2=CC=CC=C12 NO15452 [0,1,0,1,0,0|1,0,1]=4 428 B12R2.1081 O=C1C=NNC2=CC=CC=C12 NO20704 [0,1,0,1,0,0|2,0,0]=4 429 B12R2.1081 O=C1CCCC2=C1C=CC=N2 NO18351 [0,1,0,1,0,0|2,0,0]=4 430 B12R2.1081 O=C1CCCC2=C1C=CN=C2 NO16479 [0,1,0,1,0,0|2,0,0]=4 431 B12R2.1081 O=C1CCCC2=C1C=NC=C2 NO18873 [0,1,0,1,0,0|2,0,0]=4 432 B12R2.1081 O=C1CCCC2=C1N=CC=C2 NO15049 [0,1,0,1,0,0|2,0,0]=4 433 B12R2.1081 O=C1CCCC2=CC=CC=C12 NO14809 [0,1,0,1,0,0|1,0,0]=3 434 B12R2.1081 O=C1CCNC2=CC=CC=C12 NO15321 [0,1,0,1,0,0|1,0,0]=3 435 B12R2.1081 O=C1CCOC2=CC=CC=C12 NO22800 [0,1,0,1,0,0|1,0,0]=3 436 B12R2.1081 O=C1CNNC2=CC=CC=C12 DY755743 [0,1,0,1,0,0|2,0,0]=4 437 B12R2.1081 O=C1COCC2=NC=CC=C12 DY678513 [0,1,0,1,0,0|1,0,0]=3 438 B12R2.1081 O=C1NCCC2=CC=CC=C12 NO17872 [0,1,0,1,0,0|1,0,0]=3 439 B12R2.1081 O=C1NN=CC2=CC=CC=C12 NO19825 [0,1,0,1,0,0|1,0,1]=4 440 B12R2.1081 O=C1NN=NC2=C1C=CC=C2 DY20712 [0,1,0,1,0,0|2,0,0]=4 441 B12R2.1081 O=C1OCCC2=CC=CC=C12 NO12987 [0,1,0,1,0,0|0,0,0]=2 442 B12R2.1081 OB1OCCC2=C1C=CC=C2 DY535881 [0,1,0,1,0,0|1,0,1]=4 443 B12R2.1081 O[C@@H]1C=COC2=CC=CC=C21 DY771027 [0,1,0,1,0,0|1,0,1]=4 444 B12R2.2028 CC1OB(O)C2=C1C=CC=C2 DY450496 [0,1,0,1,0,0|1,0,1]=4 445 B12R2.2028 C[C@H]1NC(=O)C2=CC=CC=C21 DY622323 [0,1,0,1,0,0|1,0,0]=3 446 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 NO22129 [0,1,0,1,0,0|1,0,0]=3 447 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 DY20691 [0,1,0,1,0,0|1,0,0]=3 448 B12R2.2028 O=C1[N-]C(=O)C2=CC=CC=C12 NO11876 [0,1,0,1,0,0|1,0,1]=4 449 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 NO10964 [0,1,0,1,0,0|1,0,1]=4 450 B12R2.32 O=CC1=CC2=CC=CC=C2N1 NO18099 [0,1,0,1,0,0|1,0,1]=4 451 B12R2.32 O=CN1CC2=CC=CC=C2C1 DY709573 [0,1,0,1,0,0|1,0,0]=3 452 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 NO14012 [0,1,0,1,0,0|1,0,0]=3 453 B12R2.196 CC1=CC=CC2=C1COB2O DY582099 [0,1,0,1,0,0|1,0,1]=4 454 B12R2.196 NC1=C2CNC(=O)C2=CC=C1 NO22586 [0,1,0,1,0,0|1,0,0]=3 455 B12R2.196 NC1=C2COC(=O)C2=CC=C1 NO14004 [0,1,0,1,0,0|0,0,0]=2 456 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 NO10966 [0,1,0,1,0,0|1,0,0]=3 457 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 NO18751 [0,1,0,1,0,0|1,0,0]=3 458 B12R2.196 O=C1CCC2=C(O)C=CC=C12 NO19922 [0,1,0,1,0,0|1,0,0]=3 459 B12R2.196 O=C1NCC2=C(O)C=CC=C12 NO14659 [0,1,0,1,0,0|1,0,0]=3 460 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 NO22636 [0,1,0,1,0,0|0,0,0]=2 461 B12R2.196 O=C1OCC2=C(O)C=CC=C12 DY751255 [0,1,0,1,0,0|0,0,0]=2 462 B12R2.196 O=C1OCC2=C1C=NC=C2O DY680901 [0,1,0,1,0,0|1,0,0]=3 463 B12R2.203 O=C1CCC2=CC=CC(F)=C12 NO15500 [0,1,0,1,0,0|1,0,0]=3 464 B12R2.203 O=C1NCC2=CC=CC(Br)=C12 NO14262 [0,1,0,1,0,0|1,0,0]=3 465 B12R2.203 O=C1NCC2=CC=CC(F)=C12 DY630654 [0,1,0,1,0,0|1,0,0]=3 466 B12R2.203 O=C1NCC2=CC=CC(O)=C12 DY586744 [0,1,0,1,0,0|1,0,0]=3 467 B12R2.203 OB1OCC2=C1C(O)=CC=C2 DY707575 [0,1,0,1,0,0|1,0,1]=4 468 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 DY100084 [0,1,0,1,0,0|1,0,0]=3 469 B12R2.612 NC1=CC=C2C(=O)NNC2=C1 DY541761 [0,1,0,1,0,0|2,0,0]=4 470 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 NO21498 [0,1,0,1,0,0|1,0,0]=3 471 B12R2.612 O=C1CCC2=CC(Br)=CN=C12 DY674594 [0,1,0,1,0,0|2,0,0]=4 472 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 NO22043 [0,1,0,1,0,0|1,0,0]=3 473 B12R2.612 O=C1CCC2=CC(Cl)=CN=C12 DY674865 [0,1,0,1,0,0|2,0,0]=4 474 B12R2.612 O=C1CCC2=CC(F)=CC=C12 DY10164 [0,1,0,1,0,0|1,0,0]=3 475 B12R2.612 O=C1CCC2=CC(O)=CC=C12 NO11017 [0,1,0,1,0,0|1,0,0]=3 476 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 NO15082 [0,1,0,1,0,0|2,0,0]=4 477 B12R2.612 O=C1COC2=C1C=CC(O)=C2 NO20793 [0,1,0,1,0,0|2,0,0]=4 478 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 NO12118 [0,1,0,1,0,0|1,0,0]=3 479 B12R2.612 O=C1NCC2=CC(Cl)=CC=C12 NO10349 [0,1,0,1,0,0|1,0,0]=3 480 B12R2.612 O=C1NCC2=CC(F)=CC=C12 NO15892 [0,1,0,1,0,0|1,0,0]=3 481 B12R2.612 O=C1NCC2=CC(I)=CC=C12 DY709327 [0,1,0,1,0,0|1,0,0]=3 482 B12R2.612 O=C1NCC2=CC(O)=CC=C12 NO15015 [0,1,0,1,0,0|1,0,0]=3 483 B12R2.612 O=C1NCC2=NC(Cl)=CC=C12 DY672655 [0,1,0,1,0,0|2,0,0]=4 484 B12R2.612 O=C1NNC2=CC(F)=CC=C12 NO10702 [0,1,0,1,0,0|2,0,0]=4 485 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 NO16833 [0,1,0,1,0,0|2,0,0]=4 486 B12R2.612 O=C1OCC2=C1C=CC(I)=C2 DY751555 [0,1,0,1,0,0|0,0,0]=2 487 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 NO10666 [0,1,0,1,0,0|0,0,0]=2 488 B12R2.612 O=C1OCC2=CC(Cl)=CC=C12 DY751351 [0,1,0,1,0,0|0,0,0]=2 489 B12R2.1 O=CC1=CNC2=CC=CC=C12 NO21525 [0,1,0,1,0,0|1,0,1]=4 490 B12R2.1 O=CC1=CSC2=C1C=CC=C2 NO21482 [0,1,0,1,0,0|1,0,1]=4 491 B12R2.1 O=CC1=NNC2=CC=CC=C21 NO20713 [0,1,0,1,0,0|2,0,0]=4 492 B12R2.1 O=CC1CNC2=CC=CC=C21 DY630762 [0,1,0,1,0,0|1,0,0]=3 493 B12R2.1 O=CN1CCC2=CC=CC=C21 DY630756 [0,1,0,1,0,0|1,0,0]=3 494 B12R2.18 O=C1C2=CC=CC=C2CC1Br DY772371 [0,1,0,1,0,0|1,0,0]=3 495 B12R2.18 O=C1NC2=CC=CC=C2C1=O NO11506 [0,1,0,1,0,0|2,0,0]=4 496 B12R2.18 O=C1SC2=C(C=CC=C2)C1=O DY556599 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.8 O=CCC1=CC=CS1 NO17423 [1,0,0,0,1,0|1,0,0]=3