0 B10R1.18 BrC(Br)=CC1=CC=CC=C1 NO16193 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.18 CC(=O)CC1=CC=CN=C1 DY567891 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 CC(=O)CC1=CC=NC=C1 NO20988 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 CC(=O)CC1=NC=CC=C1 NO20802 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 CC(C)NC1=CC=CC=C1 NO11787 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 CC(C)NC1=CC=NC=C1 DY663647 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.18 CC(C)NC1=NC=CC=N1 DY696047 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.18 CC(N)CC1=NC=CC=C1 DY652737 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.18 CC(O)CC1=NC=CN=C1 DY709807 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.18 FC(F)OC1=NC=CC=C1 DY116213 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.18 N=C(N)CC1=CC=CN=C1 DY610010 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.18 NC(=O)CC1=NC=CC=N1 NO17323 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.18 NC(=O)NC1=CC=CC=C1 NO10533 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.18 O=C(Cl)OC1=CC=CC=C1 NO18823 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.18 O=C(O)CC1=CC=CN=C1 NO20325 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.18 O=C(O)CC1=CC=NC=C1 NO20327 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.18 O=C([O-])CC1=NC=CC=C1 DY716949 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.18 O=S([O-])CC1=CC=CC=C1 DY745429 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.18 O=[N+]([O-])SC1=CC=CC=C1 DY791007 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.8 BrCCC1=CC=CN=C1 DY608158 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 C#CCC1=CC=CC=C1 DY501873 [1,0,0,0,0,0|0,0,2]=3 21 B9R1.8 CCCC1=CC=CN=C1 NO22402 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 CCOC1=CC=CN=N1 DY736406 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 CCOC1=NC=CN=C1 NO21524 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.8 CNCC1=CC=CC=C1 DY10559 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.8 CNCC1=CC=CC=C1 DY20323 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.8 CNCC1=CC=CC=C1 DY21006 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.8 CNCC1=CC=CN=C1 NO18846 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 CNCC1=CC=NC=C1 DY712153 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 CNCC1=NC=CC=C1 DY501242 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 CNCC1=NC=CC=C1 DY663671 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 COCC1=NC=CC=C1 NO20909 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.8 CSCC1=NC=CN=C1 DY710935 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.8 ClCCC1=CC=NC=C1 NO17913 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 ClCCC1=NC=CN=C1 DY585865 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.8 ClCSC1=CC=CC=C1 DY797799 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 N#CCC1=CC=CN=C1 NO18407 [1,0,0,0,0,0|1,0,2]=4 37 B9R1.8 N#CCC1=CC=NC=C1 NO20239 [1,0,0,0,0,0|1,0,2]=4 38 B9R1.8 N#CCC1=NC=CC=C1 NO18926 [1,0,0,0,0,0|1,0,2]=4 39 B9R1.8 N#C[Se]C1=CC=CC=C1 DY822031 [1,0,0,0,0,0|1,0,2]=4 40 B9R1.8 NCCC1=CC=CN=C1 NO21892 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.8 NCCC1=CN=CN=C1 DY693160 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 NCCC1=NC=CC=C1 NO14064 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.8 NCCC1=NC=CC=N1 DY510693 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 NNCC1=CC=CC=C1 NO11006 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.8 NNCC1=CC=CC=C1 NO12127 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.8 NNCC1=CC=NC=C1 DY518961 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.8 NNCC1=NC=CC=C1 DY578445 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.8 NOCC1=CC=CC=C1 NO14063 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.8 OCCC1=CN=CN=C1 NO12401 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.8 ONCC1=CC=CC=C1 DY563853 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.8 ONCC1=CC=CC=C1 NO11753 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 DY10315 [0,1,0,0,0,0|1,0,1]=3 53 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 NO22844 [0,1,0,0,0,0|1,0,1]=3 54 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 DY20138 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 DY433485 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 DY798087 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.20 CC(C)NC1=CC=C(F)C=C1 NO22842 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.20 CC(C)OC1=CC=C(N)C=C1 NO10912 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 DY797913 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 NO21084 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.20 CC1=CN=C(NC(C)C)C=C1 DY663641 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.20 FC(F)Oc1ccc(Br)cc1 NO19168 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 NO21002 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.20 NC1=CC=C(OC(F)F)C=C1 NO13962 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 NO20812 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 NO10817 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 NO20852 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.36 CC(Br)C(=O)C1=CC=NC=C1 DY716660 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 NO14544 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.36 CC(C)C(=O)C1=NC=CC=C1 DY662080 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.36 CC(C)C(O)C1=CC=NC=C1 DY531375 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.36 CC(C)C(O)c1ccccc1 DY822221 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 DY567369 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 DY625015 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 DY789267 [0,1,0,0,0,0|1,0,1]=3 76 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 NO10890 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 DY620130 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.36 ClC(Cl)C(Cl)C1=CC=CC=C1 DY530469 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 NO15488 [0,1,0,0,0,0|1,0,1]=3 80 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 NO14083 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.36 N[C@@H](C(=O)Cl)C1=CC=CC=C1 NO15858 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 NO11192 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.36 O=C(C1=CC=CC=C1)C(F)F DY552861 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 NO15279 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 NO10862 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 NO10861 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.40 CCC(=O)OC1=CC=CC=C1 DY584283 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.40 CCC(N)CC1=CC=CC=C1 DY538887 [0,1,0,0,0,0|0,0,0]=1 89 B11R1.40 CNC(=O)OC1=CC=CC=C1 DY584385 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.40 CNC(=S)NC1=CC=CC=C1 DY793797 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.40 CNC(C)CC1=CC=NC=C1 DY716696 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.40 N#CC(N)CC1=CC=CC=C1 DY581085 [0,1,0,0,0,0|0,0,1]=2 93 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 DY569337 [0,1,0,0,0,0|0,0,1]=2 94 B11R1.40 NCC(O)CC1=CC=CC=C1 DY745903 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.40 NNC(=O)CC1=CC=NC=C1 NO21751 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 DY425862 [0,1,0,0,0,0|0,0,0]=1 97 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 NO21216 [0,1,0,0,0,0|0,0,0]=1 98 B11R1.40 [C-]#[N+][C@@H](C)CC1=CC=CC=C1 DY744979 [0,1,0,0,0,0|0,0,1]=2 99 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 DY10294 [0,1,0,0,0,0|1,0,1]=3 100 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 DY10318 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 DY427446 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.86 CC(=O)NC1=C(C)C=CC=C1 DY744961 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 NO21203 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.86 CC(=S)OC1=C(Cl)C=CC=C1 DY534765 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.86 CC(C)CC1=NC=NC=C1Br DY694769 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.86 CC(C)OC1=C(F)C=CC=C1 DY453190 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.86 CC(C)OC1=C(N)C=CC=C1 NO13469 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.86 CC(C)OC1=NC=CC=C1I DY657345 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.86 CC(N)CC1=C(Cl)C=CC=C1 DY550599 [0,1,0,0,0,0|0,0,0]=1 110 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 NO21083 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 DY563439 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.86 NC(=O)NC1=C(Br)C=CC=C1 DY789621 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.86 NC(=S)NC1=C(Cl)C=CC=C1 DY822040 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.86 NC1=C(CC(=O)O)C=CC=C1 NO20995 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 NO20809 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 NO20826 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 NO20849 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 NO20941 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 NO22187 [0,1,0,0,0,0|1,0,1]=3 120 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 NO22093 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.157 CC(=O)OC1=CC(Br)=CC=C1 DY40001 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.157 CC(C)CC1=CC=CC(N)=C1 DY822133 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.157 CC(N)CC1=CC(Br)=CC=C1 DY511737 [0,1,0,0,0,0|0,0,0]=1 124 B11R1.157 FC(F)Oc1cccc(I)c1 DY585165 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.157 FC1=CC=CC(OC(F)F)=C1 DY722347 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.157 NC(=O)CC1=CC(Cl)=CC=C1 DY799707 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.157 NC(=S)NC1=CC(F)=CC=C1 DY795615 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.157 NC1=CC(OC(F)F)=CC=C1 NO13961 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 NO21911 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 NO10775 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 NO21923 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 NO20851 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 NO20944 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.157 OB(O)CC1=CC(F)=CC=C1 DY706879 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.157 OC1=CC(OC(F)F)=CC=C1 DY431656 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.509 CC(C)(C)OC1=CC=CC=C1 DY585114 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 DY20424 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 DY744109 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 NO11014 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.509 FC(F)(F)OC1=CC=CC=C1 DY41392 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 NO20418 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 DY537117 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 NO20295 [0,1,0,0,0,0|3,0,0]=4 144 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 DY559809 [0,0,0,1,0,0|0,0,0]=1 145 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 DY537225 [0,0,0,1,0,0|0,0,0]=1 146 B11R2.10 BrC1=CC2=CC=CC=C2C1 NO21490 [0,0,0,1,0,0|1,0,2]=4 147 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 NO21331 [0,0,0,1,0,0|2,0,1]=4 148 B11R2.10 CC1=CC2=C(C=CN=C2)N1 NO15018 [0,0,0,1,0,0|1,0,2]=4 149 B11R2.10 CC1=CC2=CC=CC=C2N1 NO18563 [0,0,0,1,0,0|0,0,2]=3 150 B11R2.10 CC1=CC2=CC=CN=C2N1 NO19733 [0,0,0,1,0,0|1,0,2]=4 151 B11R2.10 CC1=CC2=NC=CC=C2N1 NO15017 [0,0,0,1,0,0|1,0,2]=4 152 B11R2.10 CC1=NC2=C(C=CC=C2)N1 NO15288 [0,0,0,1,0,0|1,0,1]=3 153 B11R2.10 CC1=NC2=C(C=CC=C2)S1 NO21687 [0,0,0,1,0,0|1,0,2]=4 154 B11R2.10 CC1=NC2=NC=CC=C2N1 NO21659 [0,0,0,1,0,0|2,0,1]=4 155 B11R2.10 C[C@@H]1CC2=CC=CC=C2N1 DY541863 [0,0,0,1,0,0|0,0,0]=1 156 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 NO21427 [0,0,0,1,0,0|2,0,1]=4 157 B11R2.10 ClC1CC2=CC=CC=C2C1 DY686677 [0,0,0,1,0,0|1,0,0]=2 158 B11R2.10 NC1=NC2=C(C=CC=C2)N1 NO16315 [0,0,0,1,0,0|2,0,1]=4 159 B11R2.10 O=C1CC2=C(C=CC=C2)O1 DY20944 [0,0,0,1,0,0|2,0,1]=4 160 B11R2.10 O=C1CC2=CC=CC=C2C1 NO16080 [0,0,0,1,0,0|1,0,1]=3 161 B11R2.10 O=C1CC2=CC=CC=C2N1 NO15184 [0,0,0,1,0,0|1,0,1]=3 162 B11R2.10 O=C1CC2=CC=CN=C2N1 DY523179 [0,0,0,1,0,0|2,0,1]=4 163 B11R2.10 O=C1NC2=C(C=CC=C2)O1 NO15190 [0,0,0,1,0,0|2,0,1]=4 164 B11R2.10 OC1=CC2=CC=CC=C2N1 DY726793 [0,0,0,1,0,0|1,0,2]=4 165 B11R2.10 OC1=NC2=C(C=CC=C2)N1 NO20242 [0,0,0,1,0,0|2,0,1]=4 166 B11R2.10 OC1CC2=CC=CC=C2C1 NO21608 [0,0,0,1,0,0|1,0,0]=2 167 B11R2.10 SC1=NC2=C(C=CC=C2)N1 DY20678 [0,0,0,1,0,0|2,0,1]=4 168 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 NO19482 [0,0,0,1,0,0|0,0,0]=1 169 B11R2.238 C1=CC=C(SC2CC2)C=C1 DY20576 [0,0,0,1,0,0|2,0,0]=3 170 B9R1.6 CC(=O)C1=CC=CN=C1 NO18256 [0,0,0,0,1,0|2,0,1]=4 171 B9R1.6 CC(=O)C1=CC=NC=C1 NO22535 [0,0,0,0,1,0|2,0,1]=4 172 B9R1.6 CC(=O)C1=NC=CC=C1 NO18611 [0,0,0,0,1,0|2,0,1]=4 173 B9R1.6 CC(Br)C1=NC=CN=C1 DY710527 [0,0,0,0,1,0|3,0,0]=4 174 B9R1.6 CC(C)C1=NC=CC=C1 NO21621 [0,0,0,0,1,0|2,0,0]=3 175 B9R1.6 CC(N)C1=CC=CC=C1 DY457042 [0,0,0,0,1,0|0,0,0]=1 176 B9R1.6 CC(N)C1=CC=CN=N1 DY526767 [0,0,0,0,1,0|2,0,0]=3 177 B9R1.6 CC(N)C1=NC=CN=C1 NO12997 [0,0,0,0,1,0|2,0,0]=3 178 B9R1.6 CC(O)C1=CN=CN=C1 DY572325 [0,0,0,0,1,0|3,0,0]=4 179 B9R1.6 CC(O)C1=NC=CC=C1 NO20801 [0,0,0,0,1,0|2,0,0]=3 180 B9R1.6 CN(C)C1=CC=NC=C1 NO13386 [0,0,0,0,1,0|3,0,0]=4 181 B9R1.6 CS(=O)C1=CC=CC=C1 DY510356 [0,0,0,0,1,0|2,0,0]=3 182 B9R1.6 C[C@@H](N)C1=CC=CN=C1 DY553203 [0,0,0,0,1,0|1,0,0]=2 183 B9R1.6 C[C@@H](N)C1=CC=CN=C1 DY621669 [0,0,0,0,1,0|1,0,0]=2 184 B9R1.6 C[C@@H](O)C1=NC=CC=C1 DY20310 [0,0,0,0,1,0|2,0,0]=3 185 B9R1.6 C[C@@H](O)C1=NC=CC=N1 DY621675 [0,0,0,0,1,0|3,0,0]=4 186 B9R1.6 C[C@H](N)C1=CC=CN=C1 DY546027 [0,0,0,0,1,0|1,0,0]=2 187 B9R1.6 C[C@H](N)C1=NC=CC=C1 NO15370 [0,0,0,0,1,0|1,0,0]=2 188 B9R1.6 C[C@H](O)C1=CC=CN=N1 DY586498 [0,0,0,0,1,0|3,0,0]=4 189 B9R1.6 C[PH](=O)C1=CC=CC=C1 NO16386 [0,0,0,0,1,0|2,0,0]=3 190 B9R1.6 C[S@@](=O)C1=CC=CC=C1 DY621380 [0,0,0,0,1,0|2,0,0]=3 191 B9R1.6 ClP(Cl)C1=CC=CC=C1 DY822051 [0,0,0,0,1,0|3,0,0]=4 192 B9R1.6 N=C(N)C1=CC=CC=C1 NO14830 [0,0,0,0,1,0|1,0,1]=3 193 B9R1.6 N=C(N)C1=CN=CC=C1 NO19487 [0,0,0,0,1,0|2,0,1]=4 194 B9R1.6 N=C(N)C1=NC=CC=C1 NO19100 [0,0,0,0,1,0|2,0,1]=4 195 B9R1.6 NC(=O)C1=CC=NC=C1 NO13721 [0,0,0,0,1,0|2,0,1]=4 196 B9R1.6 NC(=O)C1=CN=CC=C1 DY583359 [0,0,0,0,1,0|2,0,1]=4 197 B9R1.6 NC(=O)C1=NC=CC=C1 NO11910 [0,0,0,0,1,0|2,0,1]=4 198 B9R1.6 NC(=S)C1=CC=NC=C1 DY541407 [0,0,0,0,1,0|2,0,1]=4 199 B9R1.6 O=C(Br)C1=CC=CC=C1 DY585100 [0,0,0,0,1,0|2,0,1]=4 200 B9R1.6 O=C(Cl)C1=CC=CC=C1 DY40435 [0,0,0,0,1,0|2,0,1]=4 201 B9R1.6 O=C([O-])C1=CC=CC=C1 DY558819 [0,0,0,0,1,0|2,0,1]=4 202 B9R1.6 O=[PH](O)C1=CC=CC=C1 DY532299 [0,0,0,0,1,0|3,0,0]=4 203 B9R1.6 OB(O)C1=CC=CC=C1 NO19450 [0,0,0,0,1,0|3,0,0]=4 204 B9R1.13 CC(=O)CC1=CSC=C1 DY787564 [0,0,0,0,1,0|2,0,1]=4 205 B9R1.13 CC(C)CC1=NC=CN1 DY606921 [0,0,0,0,1,0|3,0,0]=4 206 B9R1.13 CC(C)CC1=NC=CS1 NO10134 [0,0,0,0,1,0|3,0,0]=4 207 B9R1.13 C[C@@H](N)CC1=CNC=N1 DY570429 [0,0,0,0,1,0|2,0,0]=3 208 B11R1.91 CC(=O)CCC1=CC=CN=C1 DY560043 [0,0,0,0,0,1|2,0,1]=4 209 B11R1.91 CC(C)COC1=NC=CC=C1 DY655892 [0,0,0,0,0,1|2,0,0]=3 210 B11R1.91 CC(C)\N=C\C1=CC=CC=C1 DY797541 [0,0,0,0,0,1|1,0,1]=3 211 B11R1.91 CC(O)CCC1=CC=CC=C1 DY746761 [0,0,0,0,0,1|1,0,0]=2 212 B11R1.91 N=C(N)CCC1=NC=CC=C1 DY459714 [0,0,0,0,0,1|2,0,1]=4 213 B11R1.91 N=C(N)NCC1=CC=NC=C1 DY712375 [0,0,0,0,0,1|2,0,1]=4 214 B11R1.91 NC(=O)CCC1=NC=CC=C1 DY713935 [0,0,0,0,0,1|2,0,1]=4 215 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 NO21725 [0,0,0,0,0,1|1,0,2]=4 216 B11R1.91 O=C(O)CCC1=CC=CC=C1 DY556977 [0,0,0,0,0,1|2,0,1]=4 217 B11R1.91 O=C(O)CNc1ccccc1 DY439073 [0,0,0,0,0,1|2,0,1]=4 218 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 NO20444 [0,0,0,0,0,1|3,0,0]=4 219 B11R1.91 OB(O)CCC1=CC=CC=C1 DY453988 [0,0,0,0,0,1|3,0,0]=4 220 B8R0.4 CCC\C=C\C=C\CO NO17006 [1,0,1,0,0,0|1,0,1]=4 221 B8R1.2 BrCC1=CC=NC=C1 NO22459 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.2 C#CC1=CC=CC=C1 NO19127 [2,0,0,0,0,0|0,0,2]=4 223 B8R1.2 CCC1=CC=CN=C1 NO22277 [2,0,0,0,0,0|1,0,0]=3 224 B8R1.2 CCC1=NC=CN=C1 NO21534 [2,0,0,0,0,0|2,0,0]=4 225 B8R1.2 CNC1=CC=CC=C1 NO11792 [2,0,0,0,0,0|1,0,0]=3 226 B8R1.2 CNC1=CC=CN=C1 NO13856 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.2 COC1=CC=CN=C1 NO22348 [2,0,0,0,0,0|2,0,0]=4 228 B8R1.2 COC1=CC=NC=C1 NO19206 [2,0,0,0,0,0|2,0,0]=4 229 B8R1.2 COC1=CC=[C-]C=C1 DY747109 [2,0,0,0,0,0|1,0,1]=4 230 B8R1.2 COC1=NC=CC=C1 NO18780 [2,0,0,0,0,0|2,0,0]=4 231 B8R1.2 ClCC1=CC=CN=C1 NO19291 [2,0,0,0,0,0|2,0,0]=4 232 B8R1.2 ClCC1=NC=CC=C1 NO19289 [2,0,0,0,0,0|2,0,0]=4 233 B8R1.2 ClSC1=CC=CC=C1 DY799077 [2,0,0,0,0,0|2,0,0]=4 234 B8R1.2 ICC1=CC=CC=C1 NO11000 [2,0,0,0,0,0|1,0,0]=3 235 B8R1.2 N#Cc1ccccc1 NO13696 [2,0,0,0,0,0|0,0,2]=4 236 B8R1.2 NCC1=CC=CN=C1 NO14226 [2,0,0,0,0,0|1,0,0]=3 237 B8R1.2 NCC1=CC=NC=C1 NO11906 [2,0,0,0,0,0|1,0,0]=3 238 B8R1.2 NCC1=CC=NC=C1 NO19023 [2,0,0,0,0,0|1,0,0]=3 239 B8R1.2 NCC1=CN=NC=C1 NO15014 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.2 NCC1=CN=NC=C1 NO15515 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.2 NCC1=NC=CC=C1 DY663911 [2,0,0,0,0,0|1,0,0]=3 242 B8R1.2 NCC1=NC=CC=N1 NO21304 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.2 NCC1=NC=CN=C1 DY710323 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.2 NCC1=NC=CN=C1 NO19691 [2,0,0,0,0,0|2,0,0]=4 245 B8R1.2 NCC1=NC=CN=C1 NO20245 [2,0,0,0,0,0|2,0,0]=4 246 B8R1.2 NNC1=CC=CC=C1 NO15210 [2,0,0,0,0,0|1,0,0]=3 247 B8R1.2 NNC1=CC=CN=C1 NO15491 [2,0,0,0,0,0|2,0,0]=4 248 B8R1.2 NNC1=CC=CN=C1 NO22308 [2,0,0,0,0,0|2,0,0]=4 249 B8R1.2 NNC1=CC=NC=C1 DY20777 [2,0,0,0,0,0|2,0,0]=4 250 B8R1.2 NNC1=NC=CC=C1 NO15589 [2,0,0,0,0,0|2,0,0]=4 251 B8R1.2 NNC1=NC=CC=C1 NO21573 [2,0,0,0,0,0|2,0,0]=4 252 B8R1.2 OCC1=CC=CN=C1 NO22409 [2,0,0,0,0,0|2,0,0]=4 253 B8R1.2 OCC1=CC=NC=C1 NO19163 [2,0,0,0,0,0|2,0,0]=4 254 B8R1.2 OCC1=NC=CC=C1 NO19164 [2,0,0,0,0,0|2,0,0]=4 255 B10R1.1 BrCCC1=CC=C(Br)C=C1 DY531753 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.1 CC#CC1=CC=C(Br)C=C1 DY788811 [1,1,0,0,0,0|0,0,2]=4 257 B10R1.1 CC1=CC=C(CC#N)C=C1 NO21709 [1,1,0,0,0,0|0,0,2]=4 258 B10R1.1 CC1=CC=C(CCBr)C=C1 NO19977 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.1 CC1=CC=C(CCN)C=C1 NO18979 [1,1,0,0,0,0|0,0,0]=2 260 B10R1.1 CC1=CC=C(CNN)C=C1 NO20201 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.1 CC1=CN=C(CCN)C=C1 DY654264 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.1 CCCC1=CC=C(Br)C=C1 NO10896 [1,1,0,0,0,0|0,0,0]=2 263 B10R1.1 CCNC1=CC=C(C)C=C1 DY822062 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.1 CCNC1=CC=C(Cl)C=C1 DY745663 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.1 CCNC1=NC=C(Br)C=C1 DY659768 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.1 CCOC1=CC=C(I)C=C1 NO22907 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.1 CCOC1=CC=C(N)C=C1 NO11879 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.1 CCOC1=CC=C(O)C=C1 DY563859 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.1 CCOC1=CN=C(N)C=C1 NO15063 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.1 CCOC1=NC=C(Br)C=C1 NO22026 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.1 CCOC1=NC=C(N)C=C1 NO14713 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.1 CNCC1=CC=C(Br)C=C1 NO19272 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.1 CNCC1=CC=C(C)C=C1 NO11795 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.1 CNCC1=CC=C(Cl)C=C1 DY455886 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.1 CNCC1=CC=C(Cl)N=C1 DY511497 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.1 CNCC1=CC=C(F)C=C1 DY585104 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.1 COCC1=CC=C(O)C=N1 DY712897 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.1 CSCC1=CN=C(Cl)C=C1 DY606927 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.1 CSCC1=NC=C(Br)C=C1 DY112104 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.1 ClC1=CC=C(CCBr)C=C1 NO10835 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.1 ClCCC1=CN=C(Cl)C=C1 DY714175 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.1 FC1=CC=C(CCBr)C=C1 NO10866 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.1 FC1=CC=C(CCCl)C=C1 DY584346 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.1 N#CCC1=CC=C(Br)C=C1 NO20687 [1,1,0,0,0,0|0,0,2]=4 285 B10R1.1 N#CCC1=CC=C(Cl)C=C1 DY20790 [1,1,0,0,0,0|0,0,2]=4 286 B10R1.1 N#CCC1=CC=C(F)C=C1 NO14479 [1,1,0,0,0,0|0,0,2]=4 287 B10R1.1 N#CCC1=CC=C(O)C=C1 DY522681 [1,1,0,0,0,0|0,0,2]=4 288 B10R1.1 NC1=CC=C(CCO)C=C1 NO13450 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.1 NCCC1=CC=C(Br)C=C1 NO19296 [1,1,0,0,0,0|0,0,0]=2 290 B10R1.1 NCCC1=CC=C(F)C=C1 NO13766 [1,1,0,0,0,0|0,0,0]=2 291 B10R1.1 NNCC1=CC=C(Cl)C=C1 DY570291 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.1 NNCC1=CC=C(Cl)C=C1 DY583979 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.1 NNCC1=CC=C(F)C=C1 DY567861 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.1 NNCC1=CC=C(F)C=C1 NO17057 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.1 O=CCC1=CC=C(Br)C=C1 NO18203 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.1 OCCC1=CC=C(Br)C=C1 NO14491 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.1 OCCC1=CC=C(Cl)C=C1 NO22791 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.1 OCCC1=CC=C(Cl)N=C1 DY509192 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.1 OCCC1=CC=C(O)C=C1 NO20458 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.4 CC1=NC=CC=C1CCN DY653840 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.4 CCCC1=CN=CN=C1Cl DY544407 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.4 CCOC1=C(Br)C=CC=C1 DY20149 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.4 CCOC1=C(C)C=CN=C1 DY711121 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.4 CCOC1=C(F)C=CC=C1 DY452620 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.4 CCOC1=C(N)C=NC=C1 DY712177 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.4 CCOC1=CC=CN=C1Br DY712381 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.4 CCOC1=CC=CN=C1Cl DY564873 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.4 CCOC1=NC=CC=C1Br DY452812 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.4 CNCC1=C(Br)C=CC=C1 DY455892 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.4 CNCC1=CC=CN=C1C DY711673 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.4 CNCC1=CC=CN=C1Cl DY610776 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.4 COCC1=C(Br)C=NC=C1 DY714049 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.4 N#CCC1=C(Br)C=CC=C1 NO10707 [1,1,0,0,0,0|0,0,2]=4 314 B10R1.4 N#CCC1=C(Cl)C=CC=C1 NO21495 [1,1,0,0,0,0|0,0,2]=4 315 B10R1.4 N#CCC1=C(F)C=CC=C1 NO20772 [1,1,0,0,0,0|0,0,2]=4 316 B10R1.4 N#CCC1=C(N)C=CC=C1 NO20914 [1,1,0,0,0,0|0,0,2]=4 317 B10R1.4 NCCC1=C(Br)C=CC=C1 NO15138 [1,1,0,0,0,0|0,0,0]=2 318 B10R1.4 NCCC1=C(F)C=CC=C1 NO14793 [1,1,0,0,0,0|0,0,0]=2 319 B10R1.4 NCCC1=C(N)C=CC=C1 DY584423 [1,1,0,0,0,0|0,0,0]=2 320 B10R1.4 NCCC1=C(N)C=CC=C1 NO15970 [1,1,0,0,0,0|0,0,0]=2 321 B10R1.4 NCCC1=CC=CN=C1Cl DY585655 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.4 NNCC1=C(F)C=CC=C1 NO20134 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.4 OCCC1=C(Br)C=CC=C1 NO21407 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.4 OCCC1=C(I)C=CC=C1 DY545007 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.10 CC#CC1=CC=CC(C)=C1 DY788763 [1,1,0,0,0,0|0,0,2]=4 326 B10R1.10 CC1=CC(CC#N)=CC=C1 NO18941 [1,1,0,0,0,0|0,0,2]=4 327 B10R1.10 CC1=CC(CCN)=NC=C1 DY713209 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.10 CC1=CC(CCO)=CC=C1 NO22372 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.10 CC1=CC=CC(CNN)=C1 DY514611 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.10 CCCC1=CN=CC(O)=C1 DY660255 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.10 CCNC1=NC=CC(Cl)=C1 DY658481 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.10 CCNC1=NC=CC(N)=C1 NO14774 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.10 CCOC1=CC(N)=NC=C1 DY20309 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.10 CCOC1=CC=CC(Cl)=N1 DY655578 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.10 CNCC1=CC(Cl)=CC=C1 DY456640 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.10 CNCC1=CC=CC(N)=C1 DY789483 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.10 COCC1=CC(Br)=NC=C1 DY655107 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.10 Clc1cccc(CCBr)c1 DY584685 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.10 N#CCC1=CC(Br)=CC=C1 NO18969 [1,1,0,0,0,0|0,0,2]=4 340 B10R1.10 N#CCC1=CC(Cl)=CC=C1 NO13745 [1,1,0,0,0,0|0,0,2]=4 341 B10R1.10 N#CCC1=CC(F)=CC=C1 DY20212 [1,1,0,0,0,0|0,0,2]=4 342 B10R1.10 N#CCC1=CC(I)=CC=C1 DY584378 [1,1,0,0,0,0|0,0,2]=4 343 B10R1.10 NC1=CC=CC(CCO)=C1 NO22105 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.10 NC1=CC=CC(CCO)=N1 DY608453 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.10 NCCC1=CC(Br)=CC=C1 NO15159 [1,1,0,0,0,0|0,0,0]=2 346 B10R1.10 NCCC1=NC(Cl)=CC=C1 DY654324 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.10 NCCc1cccc(O)c1 DY552393 [1,1,0,0,0,0|0,0,0]=2 348 B10R1.10 NNCC1=CC(Cl)=CC=C1 DY544953 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.10 NNCC1=CC(O)=CC=C1 DY10382 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.10 OCCC1=CC(Br)=CC=C1 NO22186 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.10 OCCC1=CC(Cl)=CC=C1 NO22241 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.10 OCCC1=NC(Cl)=CC=C1 DY531777 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.15 C#CC(O)C1=CC=CC=C1 DY460116 [1,1,0,0,0,0|0,0,2]=4 354 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 DY565311 [1,1,0,0,0,0|0,0,2]=4 355 B10R1.15 C=C(CBr)C1=CC=CC=C1 NO20091 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.15 CC(CN)C1=CC=CC=C1 DY822021 [1,1,0,0,0,0|0,0,0]=2 357 B10R1.15 CC(NN)C1=CC=CN=C1 DY656338 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.15 CCC(=O)C1=CC=NC=C1 DY584353 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.15 CCC(C)C1=CC=CC=C1 NO11947 [1,1,0,0,0,0|0,0,0]=2 360 B10R1.15 CCC(C)C1=NC=CN=C1 DY710905 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.15 CCC(O)C1=CC=CC=C1 DY580677 [1,1,0,0,0,0|0,0,0]=2 362 B10R1.15 CCS(=O)C1=CC=CC=C1 DY746839 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.15 CC[C@H](N)C1=CC=CC=C1 DY20337 [1,1,0,0,0,0|0,0,0]=2 364 B10R1.15 CC[C@H](N)C1=CC=NC=C1 DY623825 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.15 COS(=O)C1=CC=CC=C1 DY566439 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 NO10909 [1,1,0,0,0,0|0,0,0]=2 367 B10R1.15 NC(CO)C1=CC=CC=C1 NO15860 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.15 NC(CO)C1=CC=CN=C1 DY654840 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.15 NC(CO)C1=NC=CC=C1 DY111155 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.15 NC(CO)C1=NC=CC=C1 DY509906 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.15 NCC(=O)C1=CC=CC=C1 NO10874 [1,1,0,0,0,0|0,0,1]=3 372 B10R1.15 NC[C@H](O)C1=CC=CC=C1 NO20485 [1,1,0,0,0,0|0,0,0]=2 373 B10R1.15 NNC(=O)C1=CC=CC=C1 NO10971 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.15 NNC(=S)C1=CC=CC=C1 DY721675 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 NO10553 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.15 N[C@H](CO)C1=CC=CC=C1 NO10555 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.15 N[C@H](CO)C1=NC=CC=C1 DY624391 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.15 O=C(CBr)C1=CC=CC=C1 NO19274 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.15 OC(CBr)C1=CC=CC=C1 NO18840 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.15 OC[C@@H](O)c1ccccc1 DY459384 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 DY608146 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.17 BrCCCC1=CC=CN=C1 DY604503 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.17 BrCCOC1=CC=CC=C1 DY20150 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.17 CCCC[N+]1=CC=CC=C1 DY538095 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.17 CCOCC1=CC=NC=C1 DY657931 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.17 CNCCC1=CC=CC=N1 DY455430 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.17 ClCCCC1=CC=CN=C1 DY656440 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY41818 [1,1,0,0,0,0|0,0,2]=4 389 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY539883 [1,1,0,0,0,0|0,0,2]=4 390 B10R1.17 N#C[Se]CC1=CC=CC=C1 DY822032 [1,1,0,0,0,0|0,0,2]=4 391 B10R1.17 NCCCC1=CC=NC=C1 DY425564 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.17 NCCCC1=NC=CC=N1 DY737570 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.17 NCCNC1=CC=NC=C1 DY657683 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.17 NCCNC1=NC=CC=C1 NO11746 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.17 NCCOC1=CC=CC=C1 NO20484 [1,1,0,0,0,0|0,0,0]=2 396 B10R1.17 NCCOC1=CC=CN=C1 NO16368 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.17 NCCOC1=NC=CN=C1 DY508970 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.17 NNCCc1ccccc1 DY527511 [1,1,0,0,0,0|0,0,0]=2 399 B10R1.17 O=C=NCC1=CC=CC=C1 DY585959 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.17 O=CCCC1=CC=CN=C1 DY585487 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.17 O=CCSC1=CC=CC=C1 DY566091 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.17 OCCCC1=CC=NC=C1 NO22019 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.17 OCCCC1=CN=CN=C1 DY693694 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.17 OC\C=C\C1=CC=CC=C1 DY503697 [1,1,0,0,0,0|0,0,2]=4 405 B10R1.13 C=C(C)C1=CC=C(C)C=C1 DY790917 [0,1,0,0,1,0|1,0,1]=4 406 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 NO19447 [0,1,0,0,1,0|1,0,1]=4 407 B10R1.13 CC(=O)C1=CC=C(C)C=C1 NO13558 [0,1,0,0,1,0|1,0,1]=4 408 B10R1.13 CC(=O)C1=CC=C(F)C=C1 NO14299 [0,1,0,0,1,0|1,0,1]=4 409 B10R1.13 CC(=O)C1=CC=C(N)C=C1 DY20162 [0,1,0,0,1,0|1,0,1]=4 410 B10R1.13 CC(=O)C1=CC=C(N)C=C1 DY795321 [0,1,0,0,1,0|1,0,1]=4 411 B10R1.13 CC(=O)C1=CC=C(O)C=C1 NO22884 [0,1,0,0,1,0|1,0,1]=4 412 B10R1.13 CC(=O)c1ccc(I)cc1 DY433245 [0,1,0,0,1,0|1,0,1]=4 413 B10R1.13 CC(Br)C1=CC=C(F)C=C1 NO16140 [0,1,0,0,1,0|1,0,0]=3 414 B10R1.13 CC(C)C1=CC=C(Br)C=C1 NO19162 [0,1,0,0,1,0|1,0,0]=3 415 B10R1.13 CC(C)C1=CC=C(F)C=C1 DY584364 [0,1,0,0,1,0|1,0,0]=3 416 B10R1.13 CC(C)C1=CC=C(N)C=C1 NO22915 [0,1,0,0,1,0|1,0,0]=3 417 B10R1.13 CC(C)C1=CC=C(N)C=N1 NO22406 [0,1,0,0,1,0|2,0,0]=4 418 B10R1.13 CC(C)C1=CC=C(O)C=C1 DY583593 [0,1,0,0,1,0|1,0,0]=3 419 B10R1.13 CC(C)C1=CN=C(N)C=C1 NO21752 [0,1,0,0,1,0|2,0,0]=4 420 B10R1.13 CC(N)C1=CC=C(F)C=C1 DY40832 [0,1,0,0,1,0|0,0,0]=2 421 B10R1.13 CC(N)C1=CC=C(N)C=C1 NO22422 [0,1,0,0,1,0|0,0,0]=2 422 B10R1.13 CC(O)C1=CC=C(Br)C=C1 DY448036 [0,1,0,0,1,0|1,0,0]=3 423 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 DY549597 [0,1,0,0,1,0|1,0,0]=3 424 B10R1.13 CC(O)C1=NC=C(Br)C=C1 DY446891 [0,1,0,0,1,0|2,0,0]=4 425 B10R1.13 CC1=CC=C(C(=N)N)C=C1 NO20439 [0,1,0,0,1,0|1,0,1]=4 426 B10R1.13 CC1=CC=C(C(N)=O)C=C1 NO11895 [0,1,0,0,1,0|1,0,1]=4 427 B10R1.13 CC1=CC=C([C@@H](C)N)C=N1 DY716654 [0,1,0,0,1,0|1,0,0]=3 428 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 DY545757 [0,1,0,0,1,0|0,0,0]=2 429 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 NO18822 [0,1,0,0,1,0|2,0,0]=4 430 B10R1.13 CC1=CN=C(C(C)N)C=C1 DY577449 [0,1,0,0,1,0|1,0,0]=3 431 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 DY511971 [0,1,0,0,1,0|1,0,0]=3 432 B10R1.13 CN(C)C1=CC=C(Br)C=C1 NO15132 [0,1,0,0,1,0|2,0,0]=4 433 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 DY20289 [0,1,0,0,1,0|2,0,0]=4 434 B10R1.13 CN(C)C1=CC=C(O)C=C1 NO16528 [0,1,0,0,1,0|2,0,0]=4 435 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 NO20256 [0,1,0,0,1,0|0,0,0]=2 436 B10R1.13 C[C@@H](N)C1=CC=C(N)C=C1 DY565797 [0,1,0,0,1,0|0,0,0]=2 437 B10R1.13 C[C@@H](N)C1=NC=C(Br)C=C1 DY621591 [0,1,0,0,1,0|1,0,0]=3 438 B10R1.13 C[C@H](N)C1=CC=C(Br)N=C1 DY651938 [0,1,0,0,1,0|1,0,0]=3 439 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 DY554067 [0,1,0,0,1,0|0,0,0]=2 440 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 DY541875 [0,1,0,0,1,0|0,0,0]=2 441 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 NO16980 [0,1,0,0,1,0|1,0,0]=3 442 B10R1.13 Cc1ccc(C(C)C)cc1 DY444976 [0,1,0,0,1,0|1,0,0]=3 443 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 DY21022 [0,1,0,0,1,0|1,0,1]=4 444 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 NO20283 [0,1,0,0,1,0|1,0,1]=4 445 B10R1.13 N=C(N)C1=CC=C(F)C=C1 NO18318 [0,1,0,0,1,0|1,0,1]=4 446 B10R1.13 N=C(N)C1=CC=C(N)C=C1 NO21974 [0,1,0,0,1,0|1,0,1]=4 447 B10R1.13 NC(=O)C1=CC=C(F)C=C1 NO10426 [0,1,0,0,1,0|1,0,1]=4 448 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 DY544419 [0,1,0,0,1,0|1,0,1]=4 449 B10R1.13 NC(=S)C1=CC=C(F)C=C1 DY584372 [0,1,0,0,1,0|1,0,1]=4 450 B10R1.13 NC(=S)C1=CC=C(O)C=C1 NO20343 [0,1,0,0,1,0|1,0,1]=4 451 B10R1.13 NC1=CC=C(C(F)F)C=C1 NO17592 [0,1,0,0,1,0|2,0,0]=4 452 B10R1.13 OC1=CC=C(C(F)F)C=C1 NO15692 [0,1,0,0,1,0|2,0,0]=4 453 B10R1.28 CC(C)(C)C1=CC=CN=C1 DY430933 [0,1,0,0,1,0|2,0,0]=4 454 B10R1.28 CC(C)(C)C1=CC=NC=C1 NO10123 [0,1,0,0,1,0|2,0,0]=4 455 B10R1.28 CC(C)(N)C1=CC=CN=C1 DY583827 [0,1,0,0,1,0|1,0,0]=3 456 B10R1.28 CC(F)(F)C1=CC=CN=C1 DY656314 [0,1,0,0,1,0|2,0,0]=4 457 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 NO12052 [0,1,0,0,1,0|2,0,0]=4 458 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 NO11135 [0,1,0,0,1,0|1,1,0]=4 459 B10R1.28 FC(F)(Cl)C1=CC=CC=C1 DY794565 [0,1,0,0,1,0|2,0,0]=4 460 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 NO10507 [0,1,0,0,1,0|2,0,0]=4 461 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 NO18866 [0,1,0,0,1,0|1,0,1]=4 462 B10R1.61 CC(=O)C1=C(C)C=CC=C1 NO19710 [0,1,0,0,1,0|1,0,1]=4 463 B10R1.61 CC(=O)C1=C(F)C=CC=C1 NO15490 [0,1,0,0,1,0|1,0,1]=4 464 B10R1.61 CC(=O)C1=C(N)C=CC=C1 NO19948 [0,1,0,0,1,0|1,0,1]=4 465 B10R1.61 CC(=O)C1=C(O)C=CC=C1 DY790197 [0,1,0,0,1,0|1,0,1]=4 466 B10R1.61 CC(=O)C1=C(O)C=CC=C1 NO15026 [0,1,0,0,1,0|1,0,1]=4 467 B10R1.61 CC(C)C1=C(Br)C=CC=C1 NO19988 [0,1,0,0,1,0|1,0,0]=3 468 B10R1.61 CC(Cl)C1=C(F)C=NC=C1 DY501981 [0,1,0,0,1,0|2,0,0]=4 469 B10R1.61 CC(N)C1=CC=CN=C1F DY714055 [0,1,0,0,1,0|1,0,0]=3 470 B10R1.61 CC1=C(C(C)N)C=CC=C1 DY788943 [0,1,0,0,1,0|0,0,0]=2 471 B10R1.61 CC1=C(C(N)=S)C=CC=C1 DY559011 [0,1,0,0,1,0|1,0,1]=4 472 B10R1.61 CC1=C([C@H](C)O)C=CC=C1 DY822244 [0,1,0,0,1,0|1,0,0]=3 473 B10R1.61 CC1=CC=CN=C1C(C)N DY604773 [0,1,0,0,1,0|1,0,0]=3 474 B10R1.61 CN(C)C1=C(Br)C=CC=C1 DY20183 [0,1,0,0,1,0|2,0,0]=4 475 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 DY20288 [0,1,0,0,1,0|2,0,0]=4 476 B10R1.61 CN(C)C1=C(F)C=CC=C1 DY20285 [0,1,0,0,1,0|2,0,0]=4 477 B10R1.61 CN(C)C1=C(O)C=CC=C1 NO14782 [0,1,0,0,1,0|2,0,0]=4 478 B10R1.61 CN(C)C1=CC=CC=C1N NO14204 [0,1,0,0,1,0|2,0,0]=4 479 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 DY516003 [0,1,0,0,1,0|0,0,0]=2 480 B10R1.61 C[C@@H](N)C1=NC=CC=C1Br DY621531 [0,1,0,0,1,0|1,0,0]=3 481 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 NO13547 [0,1,0,0,1,0|1,0,0]=3 482 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 DY459372 [0,1,0,0,1,0|1,0,0]=3 483 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 NO20301 [0,1,0,0,1,0|0,0,0]=2 484 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 NO20318 [0,1,0,0,1,0|0,0,0]=2 485 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 NO15513 [0,1,0,0,1,0|1,0,0]=3 486 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 DY548415 [0,1,0,0,1,0|1,0,0]=3 487 B10R1.61 C[C@H](O)C1=CC=CN=C1N DY581181 [0,1,0,0,1,0|2,0,0]=4 488 B10R1.61 N=C(N)C1=C(F)C=CC=C1 DY455898 [0,1,0,0,1,0|1,0,1]=4 489 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 NO20174 [0,1,0,0,1,0|1,0,1]=4 490 B10R1.61 NC(=O)C1=C(O)C=CC=C1 NO11941 [0,1,0,0,1,0|1,0,1]=4 491 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 NO18865 [0,1,0,0,1,0|1,0,1]=4 492 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 NO19798 [0,1,0,0,1,0|1,0,1]=4 493 B10R1.113 CC(=O)C1=CC(F)=CC=C1 NO19067 [0,1,0,0,1,0|1,0,1]=4 494 B10R1.113 CC(=O)C1=CC(N)=CC=C1 NO19441 [0,1,0,0,1,0|1,0,1]=4 495 B10R1.113 CC(=O)C1=CC(O)=CC=C1 NO18681 [0,1,0,0,1,0|1,0,1]=4 496 B10R1.113 CC(=O)C1=CC=CC(C)=C1 NO19159 [0,1,0,0,1,0|1,0,1]=4 497 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 DY454324 [0,1,0,0,1,0|2,0,0]=4 498 B10R1.113 CC(C)C1=NC=CC(Br)=C1 DY579081 [0,1,0,0,1,0|2,0,0]=4 499 B10R1.113 CC(N)C1=CC(Br)=CC=C1 DY447729 [0,1,0,0,1,0|0,0,0]=2 500 B10R1.113 CC(O)C1=CC(Cl)=CC=C1 DY797607 [0,1,0,0,1,0|1,0,0]=3 501 B10R1.113 CC(O)C1=CC(N)=CC=C1 NO21787 [0,1,0,0,1,0|1,0,0]=3 502 B10R1.113 CC(O)C1=NC(Br)=CC=C1 NO14015 [0,1,0,0,1,0|2,0,0]=4 503 B10R1.113 CC1=CC(C(C)N)=NC=C1 DY561633 [0,1,0,0,1,0|1,0,0]=3 504 B10R1.113 CC1=CC(C(C)N)=NC=C1 DY605899 [0,1,0,0,1,0|1,0,0]=3 505 B10R1.113 CC1=CC([C@@H](C)N)=CC=C1 NO17345 [0,1,0,0,1,0|0,0,0]=2 506 B10R1.113 CC1=CC=CC(C(=N)N)=C1 NO20438 [0,1,0,0,1,0|1,0,1]=4 507 B10R1.113 CC1=CC=CC([C@@H](C)N)=N1 DY511947 [0,1,0,0,1,0|1,0,0]=3 508 B10R1.113 CC1=NC=CC(C(C)N)=C1 DY110560 [0,1,0,0,1,0|1,0,0]=3 509 B10R1.113 CN(C)C1=CC(N)=CC=C1 DY550845 [0,1,0,0,1,0|2,0,0]=4 510 B10R1.113 CN(C)C1=CC(N)=CC=C1 DY584521 [0,1,0,0,1,0|2,0,0]=4 511 B10R1.113 C[C@@H](N)C1=CC(F)=CC=C1 NO19312 [0,1,0,0,1,0|0,0,0]=2 512 B10R1.113 C[C@@H](N)C1=CC(F)=CN=C1 DY106300 [0,1,0,0,1,0|1,0,0]=3 513 B10R1.113 C[C@@H](N)C1=CC(F)=CN=C1 DY621603 [0,1,0,0,1,0|1,0,0]=3 514 B10R1.113 C[C@@H](N)C1=CC(F)=NC=C1 DY621477 [0,1,0,0,1,0|1,0,0]=3 515 B10R1.113 C[C@@H](N)C1=CC=CC(O)=C1 DY558015 [0,1,0,0,1,0|0,0,0]=2 516 B10R1.113 C[C@@H](N)C1=NC(F)=CC=C1 DY716816 [0,1,0,0,1,0|1,0,0]=3 517 B10R1.113 C[C@H](N)C1=CC(F)=CC=C1 NO19671 [0,1,0,0,1,0|0,0,0]=2 518 B10R1.113 C[C@H](N)C1=CC(F)=NC=C1 DY623626 [0,1,0,0,1,0|1,0,0]=3 519 B10R1.113 FC(F)C1=CC(I)=CC=C1 DY584299 [0,1,0,0,1,0|2,0,0]=4 520 B10R1.113 N=C(N)C1=CC(Cl)=CC=C1 DY746971 [0,1,0,0,1,0|1,0,1]=4 521 B10R1.113 N=C(N)C1=CC(F)=CC=C1 DY603586 [0,1,0,0,1,0|1,0,1]=4 522 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 NO22167 [0,1,0,0,1,0|1,0,1]=4 523 B10R1.54 CC1=CC(CC(C)N)=NO1 DY763058 [0,1,0,0,1,0|2,0,0]=4 524 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 NO14964 [0,1,0,0,0,1|1,0,1]=4 525 B12R1.21 CC(C)NCC1=CC=C(Cl)N=C1 DY663008 [0,1,0,0,0,1|2,0,0]=4 526 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 DY610016 [0,1,0,0,0,1|1,0,0]=3 527 B12R1.21 NC(=[NH2+])SCC1=CC=C(Cl)C=C1 DY745675 [0,1,0,0,0,1|1,0,1]=4 528 B12R1.27 CCC(C)NCc1ccccc1 DY555507 [0,1,0,0,0,1|1,0,0]=3 529 B12R1.27 COC(=O)CCC1=CC=CC=C1 DY433965 [0,1,0,0,0,1|1,0,1]=4 530 B12R1.27 COC(=O)CNC1=CC=CC=C1 DY543123 [0,1,0,0,0,1|1,0,1]=4 531 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 NO11754 [0,1,0,0,0,1|1,0,0]=3 532 B12R1.27 NCC(F)CCC1=CC=CC=C1 DY527373 [0,1,0,0,0,1|1,0,0]=3 533 B12R1.27 NNC(=O)OCC1=CC=CC=C1 NO20449 [0,1,0,0,0,1|1,0,1]=4 534 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 NO19947 [0,1,0,0,0,1|1,0,1]=4 535 B12R1.27 O=C(CO)OCC1=CC=CC=C1 DY547407 [0,1,0,0,0,1|1,0,1]=4 536 B12R1.43 CC(C)C(=O)CC1=CC=CN=C1 DY714151 [0,1,0,0,0,1|2,0,0]=4 537 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 DY605141 [0,1,0,0,0,1|1,0,1]=4 538 B12R1.43 NC(=O)C(N)Cc1ccccc1 DY438080 [0,1,0,0,0,1|1,0,1]=4 539 B12R1.107 CC(Br)CC(C)C1=CC=CC=C1 DY747547 [0,1,0,0,0,1|1,0,0]=3 540 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 DY626041 [0,1,0,0,0,1|1,0,0]=3 541 B12R1.107 CC(C)N[C@H](C)C1=CC=CC=C1 DY622905 [0,1,0,0,0,1|1,0,0]=3 542 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 DY610856 [0,1,0,0,0,1|1,0,1]=4 543 B12R1.107 CN(C)C[C@@H](O)C1=CC=CC=C1 DY822243 [0,1,0,0,0,1|2,0,0]=4 544 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 DY459348 [0,1,0,0,0,1|1,0,1]=4 545 B12R1.125 CC(C)COC1=C(N)C=CC=C1 DY503745 [0,1,0,0,0,1|1,0,0]=3 546 B12R1.125 CC(C)COC1=NC=CC=C1O DY714890 [0,1,0,0,0,1|2,0,0]=4 547 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 DY611009 [0,1,0,0,0,1|1,0,0]=3 548 B12R1.226 CC(C)NCC1=CC(Br)=NC=C1 DY715016 [0,1,0,0,0,1|2,0,0]=4 549 B12R1.891 CC(C)(C)NCC1=NC=CC=C1 DY611097 [0,1,0,0,0,1|2,0,0]=4 550 B12R1.891 C[Si](C)(C)OCC1=CC=CC=C1 DY791577 [0,1,0,0,0,1|1,1,0]=4 551 B12R1.4 CC(=O)CC1=CC=C(CCl)C=C1 DY747541 [0,2,0,0,0,0|1,0,1]=4 552 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 DY535521 [0,2,0,0,0,0|2,0,0]=4 553 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 NO11110 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.19 CC(=O)CC1=CC(Cl)=C(N)C=C1 DY749143 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.19 CC(=O)CC1=CC(F)=C(I)C=C1 DY747523 [0,2,0,0,0,0|1,0,1]=4 556 B12R1.19 CC(=O)CC1=CC(S)=C(N)C=C1 DY749155 [0,2,0,0,0,0|1,0,1]=4 557 B12R1.19 CC(C)OC1=CC(Cl)=C(Br)C=C1 DY453112 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.19 CC(C)OC1=CC(F)=C(Br)C=C1 DY452776 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.19 CC1=C(N)C=NC(CC(C)C)=C1 NO18107 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.20 CC(=O)C(Br)C1=CC=C(S)C=C1 DY747217 [0,2,0,0,0,0|1,0,1]=4 561 B12R1.20 CC(C)S(=O)C1=CC=C(Br)C=C1 NO16783 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 NO21113 [0,2,0,0,0,0|1,0,1]=4 563 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 DY796635 [0,2,0,0,0,0|0,0,0]=2 564 B12R1.106 CC(C)(O)CC1=CC=C(Cl)C=C1 DY33349 [0,2,0,0,0,0|1,0,0]=3 565 B12R1.106 CS(=O)(=O)CC1=CC=C(Cl)C=C1 DY745969 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.233 CC(=O)CC1=C(O)C=C(O)C=C1 DY747463 [0,2,0,0,0,0|1,0,1]=4 567 B12R1.233 CC(=O)CC1=C(S)C=C(S)C=C1 DY747481 [0,2,0,0,0,0|1,0,1]=4 568 B12R1.233 CC(C)OC1=C(Cl)C=C(Br)C=C1 DY443492 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.233 CN(C)CC1=C(Cl)C=C(Br)C=C1 DY451894 [0,2,0,0,0,0|2,0,0]=4 570 B12R1.233 CN(C)CC1=C(Cl)C=C(Cl)C=C1 DY789141 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.233 C[C@H](N)CC1=C(F)C=C(Br)C=C1 DY518295 [0,2,0,0,0,0|0,0,0]=2 572 B12R1.233 N=C(N)CC1=C(Cl)C=C(Cl)C=C1 DY744379 [0,2,0,0,0,0|1,0,1]=4 573 B12R1.233 NC(=S)CC1=C(Cl)C=C(F)C=C1 DY794187 [0,2,0,0,0,0|1,0,1]=4 574 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 DY606117 [0,2,0,0,0,0|1,0,1]=4 575 B12R1.34 COC(=O)C(C)c1ccccc1 DY459984 [0,2,0,0,0,0|1,0,1]=4 576 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 DY745759 [0,2,0,0,0,0|1,0,1]=4 577 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 DY746701 [0,2,0,0,0,0|1,0,1]=4 578 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 NO21181 [0,2,0,0,0,0|1,0,1]=4 579 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 NO18861 [0,2,0,0,0,0|1,0,1]=4 580 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 NO13901 [0,2,0,0,0,0|1,0,1]=4 581 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 NO21098 [0,2,0,0,0,0|1,0,1]=4 582 B12R1.225 CC(C)[C@@H](N)C1=CC(Cl)=CC=C1 DY511899 [0,2,0,0,0,0|1,0,0]=3 583 B12R1.225 CC(C1=CC=CC(O)=C1)N(C)C DY584566 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.253 CC(N)C(C)(O)C1=CC=CC=C1 DY547275 [0,2,0,0,0,0|0,0,0]=2 585 B12R1.564 CC(C)(C)C(N)C1=CC=CC=C1 NO11465 [0,2,0,0,0,0|1,0,0]=3 586 B12R1.564 CC(C)(C)C(O)C1=CC=CC=C1 DY822164 [0,2,0,0,0,0|1,0,0]=3 587 B12R1.564 CC(C)(C)P(Cl)C1=CC=CC=C1 DY547119 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 NO15837 [0,2,0,0,0,0|1,0,1]=4 589 B12R1.564 N[C@@H](C1=CC=CC=C1)C(F)(F)F DY459089 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.32 CC(CC1=CC=CC=C1)NC=O DY541845 [0,2,0,0,0,0|0,0,0]=2 591 B12R1.32 CN(CCO)CC1=CC=CC=C1 NO11755 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 DY623915 [0,2,0,0,0,0|0,0,0]=2 593 B12R1.32 NCCC(F)CC1=CC=CC=C1 DY527259 [0,2,0,0,0,0|1,0,0]=3 594 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 NO20169 [0,2,0,0,0,0|1,0,1]=4 595 B12R1.50 COC(=O)CC1=CC(I)=CC=C1 DY584475 [0,2,0,0,0,0|1,0,1]=4 596 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 NO15979 [0,2,0,0,0,0|1,0,1]=4 597 B12R1.50 N[C@H](CO)CC1=CC(Cl)=CC=C1 DY624403 [0,2,0,0,0,0|0,0,0]=2 598 B12R1.50 O=C(CBr)CC1=CC(S)=CC=C1 DY748993 [0,2,0,0,0,0|1,0,1]=4 599 B12R1.118 OCC(CO)CC1=CC=CC=C1 DY545043 [0,2,0,0,0,0|1,0,0]=3 600 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 DY565563 [0,2,0,0,0,0|1,0,0]=3 601 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 DY798105 [0,2,0,0,0,0|1,0,0]=3 602 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 NO11591 [0,2,0,0,0,0|1,0,1]=4 603 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 NO21677 [0,2,0,0,0,0|1,0,1]=4 604 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 NO11582 [0,2,0,0,0,0|1,0,1]=4 605 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 NO20138 [0,2,0,0,0,0|1,0,1]=4 606 B12R1.371 NC1=C(CC(=O)CCl)C=CC=C1 DY749599 [0,2,0,0,0,0|1,0,1]=4 607 B12R1.371 O=C(CBr)CC1=C(S)C=CC=C1 DY748969 [0,2,0,0,0,0|1,0,1]=4 608 B12R1.75 CN(C)CC1=C(CN)C=CC=C1 DY603249 [0,2,0,0,0,0|2,0,0]=4 609 B12R1.75 COC1=C(CC(=N)N)C=CC=C1 DY602937 [0,2,0,0,0,0|1,0,1]=4 610 B12R1.75 COC1=C(CC(=N)N)C=CC=C1 DY610288 [0,2,0,0,0,0|1,0,1]=4 611 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 DY549267 [0,2,0,0,0,0|1,0,1]=4 612 B12R1.127 CC(=O)CC1=C(I)C=CC(S)=C1 DY747457 [0,2,0,0,0,0|1,0,1]=4 613 B12R1.127 CC(=O)CC1=C(S)C=CC(S)=C1 DY747487 [0,2,0,0,0,0|1,0,1]=4 614 B12R1.127 CC(C)OC1=C(Br)C=CC(Br)=C1 DY452092 [0,2,0,0,0,0|2,0,0]=4 615 B12R1.151 CC(C)(O)CC1=C(Br)C=CC=C1 DY447497 [0,2,0,0,0,0|1,0,0]=3 616 B12R1.151 NS(=O)(=O)CC1=C(Br)C=CC=C1 DY507422 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.224 CC(=O)CC1=C(S)C(S)=CC=C1 DY747475 [0,2,0,0,0,0|1,0,1]=4 618 B12R1.1009 CC(C)OC1=C(O)C=CC=C1F DY450736 [0,2,0,0,0,0|2,0,0]=4 619 B12R1.101 CC(=O)CC1=CC(I)=CC(S)=C1 DY747529 [0,2,0,0,0,0|1,0,1]=4 620 B12R1.101 CC(C)OC1=CC(Br)=CC(F)=C1 DY452956 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 NO22343 [0,2,0,0,0,0|1,0,1]=4 622 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DY20326 [1,0,0,1,0,0|1,0,0]=3 623 B10R2.7 C1=CC2=C(C=C1)CSC2 DY114506 [1,0,0,1,0,0|1,0,0]=3 624 B10R2.7 C1=CC2=C(C=C1)OCC2 NO20929 [1,0,0,1,0,0|1,0,0]=3 625 B10R2.7 C1=CC2=NCCN2C=C1 DY760292 [1,0,0,1,0,0|1,0,1]=4 626 B10R2.7 C1=CC=C2CC=CC2=C1 DY20914 [1,0,0,1,0,0|0,0,2]=4 627 B10R2.7 C1=CC=C2CNCC2=C1 NO11516 [1,0,0,1,0,0|1,0,0]=3 628 B10R2.7 C1=CC=C2NC=CC2=C1 NO11496 [1,0,0,1,0,0|0,0,2]=4 629 B10R2.7 C1=CC=C2NCCC2=C1 NO19084 [1,0,0,1,0,0|0,0,0]=2 630 B10R2.7 C1=CC=C2NN=CC2=C1 NO11488 [1,0,0,1,0,0|1,0,1]=4 631 B10R2.7 C1=CN=C2CCCC2=C1 NO14838 [1,0,0,1,0,0|1,0,0]=3 632 B10R2.7 C1=CN=C2CCNC2=C1 DY107728 [1,0,0,1,0,0|1,0,0]=3 633 B10R2.7 C1=CN=C2CNCC2=C1 DY565581 [1,0,0,1,0,0|2,0,0]=4 634 B10R2.7 C1=CN=C2CNCC2=C1 NO15341 [1,0,0,1,0,0|2,0,0]=4 635 B10R2.7 C1=NC=C2NCCC2=C1 DY570663 [1,0,0,1,0,0|1,0,0]=3 636 B10R2.320 BrC1CC2=CC=CC=C21 DY539943 [1,0,0,1,0,0|1,0,0]=3 637 B12R2.22 NC1CN(C2=CN=CN=C2)C1 DY584194 [0,0,0,1,0,1|2,0,0]=4 638 B12R2.24 CC1CNC2=CC=CC=C2C1 DY33343 [0,0,0,1,0,1|1,0,0]=3 639 B12R2.24 CN1CCC2=CC=CC=C2C1 NO16157 [0,0,0,1,0,1|2,0,0]=4 640 B12R2.24 NC1CCC2=CC=CC=C2C1 NO18799 [0,0,0,1,0,1|0,0,0]=2 641 B12R2.24 N[C@@H]1CCC2=CC=CC=C2C1 DY765191 [0,0,0,1,0,1|0,0,0]=2 642 B12R2.24 O=C1CCC2=CC=CC=C2N1 NO11038 [0,0,0,1,0,1|1,0,1]=4 643 B12R2.24 O=C1COC2=C(C=CC=C2)N1 NO21568 [0,0,0,1,0,1|1,0,1]=4 644 B12R2.24 O=C1COC2=CC=CC=C2C1 DY681882 [0,0,0,1,0,1|1,0,1]=4 645 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 DY558855 [0,0,0,1,0,1|1,0,1]=4 646 B12R2.24 OC1CCC2=CC=CC=C2O1 DY681876 [0,0,0,1,0,1|2,0,0]=4 647 B12R2.92 CC1(C)NC1C2=CC=CC=C2 DY743833 [0,0,0,1,0,1|1,0,0]=3 648 B12R2.2057 C1=CN=CC(NCC2CC2)=C1 DY716438 [0,0,0,1,0,1|2,0,0]=4 649 B12R2.2403 CC1(N)CCC2=CC=CC=C21 DY742447 [0,0,0,1,0,1|0,0,0]=2 650 B12R2.2403 FC1(F)CNC2=CC=CC=C21 DY429867 [0,0,0,1,0,1|2,0,0]=4 651 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 DY744103 [0,1,0,1,0,0|0,0,0]=2 652 B12R2.606 CC1=CC2=CC(F)=CC=C2N1 NO11005 [0,1,0,1,0,0|0,0,2]=4 653 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 NO21722 [0,1,0,1,0,0|0,0,2]=4 654 B12R2.606 CC1=CC2=CC=C(Cl)C=C2N1 NO12813 [0,1,0,1,0,0|0,0,2]=4 655 B12R2.606 CC1=CC2=CC=C(N)C=C2N1 DY502635 [0,1,0,1,0,0|0,0,2]=4 656 B12R2.606 CC1=CC=C2C=C(C)NC2=C1 NO15359 [0,1,0,1,0,0|0,0,2]=4 657 B12R2.606 CC1=CC=C2CC(=O)NC2=C1 NO10744 [0,1,0,1,0,0|1,0,1]=4 658 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 NO15472 [0,1,0,1,0,0|1,0,1]=4 659 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 NO10011 [0,1,0,1,0,0|0,0,2]=4 660 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)N1 NO10270 [0,1,0,1,0,0|1,0,1]=4 661 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 NO12509 [0,1,0,1,0,0|1,0,1]=4 662 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 NO21670 [0,1,0,1,0,0|1,0,1]=4 663 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 NO21571 [0,1,0,1,0,0|1,0,1]=4 664 B12R2.606 NC1CC2=CC=C(Br)C=C2C1 DY447233 [0,1,0,1,0,0|0,0,0]=2 665 B12R2.606 NC1CC2=CC=C(Br)C=C2C1 NO18236 [0,1,0,1,0,0|0,0,0]=2 666 B12R2.606 NC1CC2=CC=C(I)C=C2C1 DY21023 [0,1,0,1,0,0|0,0,0]=2 667 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 NO22042 [0,1,0,1,0,0|1,0,1]=4 668 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 NO22052 [0,1,0,1,0,0|1,0,1]=4 669 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 NO20688 [0,1,0,1,0,0|1,0,1]=4 670 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 NO22102 [0,1,0,1,0,0|1,0,1]=4 671 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 NO22112 [0,1,0,1,0,0|1,0,1]=4 672 B12R2.606 OC1CC2=CC=C(Br)C=C2C1 NO12609 [0,1,0,1,0,0|1,0,0]=3 673 B12R2.18 CC1=CC2=CC=CC=C2N1C NO10010 [0,1,0,1,0,0|0,0,2]=4 674 B12R2.18 CC1=NC2=C(C=CC=C2)N1C DY451150 [0,1,0,1,0,0|1,0,1]=4 675 B12R2.18 CN1C(N)=CC2=CC=CC=C21 DY106654 [0,1,0,1,0,0|0,0,2]=4 676 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 DY528933 [0,1,0,1,0,0|1,0,1]=4 677 B12R2.18 NC1C2=CC=CC=C2CC1O DY455537 [0,1,0,1,0,0|1,0,0]=3 678 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O DY20312 [0,1,0,1,0,0|1,0,0]=3 679 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O NO13576 [0,1,0,1,0,0|1,0,0]=3 680 B12R2.18 O=C1C2=CC=CC=C2CC1Br DY772371 [0,1,0,1,0,0|1,0,1]=4 681 B12R2.23 OC1CNC1C2=CC=CC=C2 DY719824 [0,1,0,1,0,0|1,0,0]=3 682 B12R2.2075 NC(C1=CC=CN=C1)C2CC2 DY652822 [0,1,0,1,0,0|2,0,0]=4 683 B12R2.2075 OC(C1=CC=CC=C1)C2CC2 DY757399 [0,1,0,1,0,0|1,0,0]=3 684 B12R2.27 NCC1CC1C2=CC=CN=C2 DY650773 [0,1,0,1,0,0|1,0,0]=3 685 B12R2.27 OC[C@@H]1O[C@H]1c2ccccc2 DY788631 [0,1,0,1,0,0|1,0,0]=3 686 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 DY620016 [0,1,0,1,0,0|1,0,0]=3 687 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 NO18815 [0,1,0,1,0,0|1,0,1]=4 688 B12R2.32 CNN1CC2=CC=CC=C2C1 DY630906 [0,1,0,1,0,0|1,0,0]=3 689 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 NO20901 [0,1,0,1,0,0|1,0,1]=4 690 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 DY425570 [0,1,0,1,0,0|1,0,1]=4 691 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 NO14446 [0,1,0,1,0,0|1,0,1]=4 692 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 NO20888 [0,1,0,1,0,0|1,0,1]=4 693 B12R2.32 O=CN1CC2=CC=CC=C2C1 DY709573 [0,1,0,1,0,0|2,0,0]=4 694 B12R2.32 OCC1=CC2=CC=CC=C2C1 DY799617 [0,1,0,1,0,0|1,0,1]=4 695 B12R2.32 OCC1=CC2=CC=CC=C2N1 NO20715 [0,1,0,1,0,0|0,0,2]=4 696 B12R2.32 OCC1CC2=CC=CC=C2N1 DY630738 [0,1,0,1,0,0|0,0,0]=2 697 B12R2.32 ON=C1CC2=CC=CC=C2C1 DY584322 [0,1,0,1,0,0|0,0,2]=4 698 B12R2.94 CC1(CC2=CC=CC=C2)NN1 DY770583 [0,1,0,1,0,0|0,0,0]=2 699 B12R2.95 CC1(C)OC2=C(C=CC=C2)O1 NO17049 [0,1,0,1,0,0|2,0,0]=4 700 B12R2.115 N[C@@H]1C[C@H]1C2=C(Cl)C=CC=C2 DY585345 [0,1,0,1,0,0|0,0,0]=2 701 B12R2.202 CC1=C2CC(=O)NC2=CC=C1 NO22978 [0,1,0,1,0,0|1,0,1]=4 702 B12R2.202 CC1=CC2=C(Br)C=CC=C2N1 NO14478 [0,1,0,1,0,0|0,0,2]=4 703 B12R2.202 CC1=CC2=C(C=CC=C2N)N1 DY731371 [0,1,0,1,0,0|0,0,2]=4 704 B12R2.202 CC1=CC2=C(F)C=CC=C2N1 DY727237 [0,1,0,1,0,0|0,0,2]=4 705 B12R2.202 CC1=CC2=CC=CC(Br)=C2N1 DY547335 [0,1,0,1,0,0|0,0,2]=4 706 B12R2.202 CC1=CC2=CC=CC(F)=C2N1 DY727231 [0,1,0,1,0,0|0,0,2]=4 707 B12R2.202 CC1=CC2=CC=CC(O)=C2N1 DY728455 [0,1,0,1,0,0|0,0,2]=4 708 B12R2.202 NC1=C2CC(=O)NC2=CC=C1 DY630110 [0,1,0,1,0,0|1,0,1]=4 709 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 NO18574 [0,1,0,1,0,0|1,0,1]=4 710 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 NO18158 [0,1,0,1,0,0|1,0,1]=4 711 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 NO14679 [0,1,0,1,0,0|1,0,1]=4 712 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 NO22741 [0,1,0,1,0,0|1,0,1]=4 713 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 DY10111 [0,1,0,1,0,0|1,0,1]=4 714 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 DY10168 [0,1,0,1,0,0|1,0,1]=4 715 B12R2.225 OC1=C(CC2CC2)C=CC=C1 DY757669 [0,1,0,1,0,0|1,0,0]=3 716 B12R2.80 NC1CC1C2=CC(Cl)=CC=C2 DY744457 [0,1,0,1,0,0|0,0,0]=2 717 B8R1.8 CCCC1=NC=CN1 NO14621 [1,0,0,0,1,0|2,0,0]=4 718 B8R1.8 CSCC1=CC=CO1 DY523785 [1,0,0,0,1,0|2,0,0]=4 719 B8R1.8 NCCC1=CC=CN1 DY717219 [1,0,0,0,1,0|1,0,0]=3 720 B8R1.8 NCCC1=CN=CS1 DY785962 [1,0,0,0,1,0|2,0,0]=4 721 B8R1.8 NCCC1=CNC=N1 DY557493 [1,0,0,0,1,0|2,0,0]=4 722 B8R1.8 NCCC1=CNC=N1 NO18264 [1,0,0,0,1,0|2,0,0]=4 723 B8R1.8 NCCC1=CSC=C1 NO22098 [1,0,0,0,1,0|1,0,0]=3 724 B8R1.8 NCCC1=NC=CN1 DY725263 [1,0,0,0,1,0|2,0,0]=4 725 B8R1.8 NCCN1C=CC=N1 DY501807 [1,0,0,0,1,0|2,0,0]=4 726 B8R1.8 NNCC1=CC=CS1 DY607641 [1,0,0,0,1,0|2,0,0]=4 727 B8R1.8 OCCC1=CC=CS1 NO14939 [1,0,0,0,1,0|2,0,0]=4 728 B8R1.8 OCCC1=CSC=C1 NO20858 [1,0,0,0,1,0|2,0,0]=4 729 B8R1.7 CC(C)C1=CNC=C1 DY447203 [0,0,0,0,2,0|2,0,0]=4 730 B8R1.7 CC(N)C1=CC=CN1 DY717705 [0,0,0,0,2,0|1,0,0]=3 731 B8R1.7 CC(N)C1=CC=CS1 DY585951 [0,0,0,0,2,0|1,0,0]=3 732 B8R1.7 CC(N)C1=NC=CS1 DY446644 [0,0,0,0,2,0|2,0,0]=4 733 B8R1.7 CC(N)C1=NC=CS1 DY608600 [0,0,0,0,2,0|2,0,0]=4 734 B8R1.7 CC(O)C1=CSC=C1 DY786664 [0,0,0,0,2,0|2,0,0]=4 735 B8R1.7 CC(O)[C-]1C=CC=C1 DY460596 [0,0,0,0,2,0|1,0,1]=4 736 B8R1.7 C[C@@H](O)C1=CC=CO1 DY621645 [0,0,0,0,2,0|2,0,0]=4 737 B8R1.7 C[C@@H](O)C1=CC=CS1 DY621687 [0,0,0,0,2,0|2,0,0]=4 738 B12R1.252 CC(=O)NCCC1=CC=CC=C1 DY459522 [0,0,0,0,0,2|1,0,1]=4 739 B12R1.252 CC(C)CNCC1=CC=NC=C1 DY611023 [0,0,0,0,0,2|2,0,0]=4 740 B12R1.252 CN(C)CCOC1=CC=CC=C1 NO11261 [0,0,0,0,0,2|2,0,0]=4 741 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 NO20248 [0,0,0,0,0,2|1,0,0]=3 742 B12R1.252 N=C(N)CCCC1=CC=CC=C1 DY608227 [0,0,0,0,0,2|1,0,1]=4 743 B12R1.252 NC(=S)COCC1=CC=CC=C1 DY430689 [0,0,0,0,0,2|1,0,1]=4