0 B9R1.35 CC(=O)C1=CC=C(Br)S1 27378 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC1=CC(C(=O)O)=NO1 25497 [0,0,0,0,0,0|1,1,0]=2 2 B9R1.35 CC1=NC(C(=O)O)=CS1 17250 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.35 CC1=NC(C(C)N)=CS1 17872 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 CC1=NN=C(C(=O)[O-])O1 19126 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 CC1=NNC(C(=O)O)=C1 24692 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.35 CN1C=CC(C(=O)O)=N1 17051 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 NC1=NC(C(=O)O)=CS1 17055 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 NC1=NC(C(=O)O)CS1 02557 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.35 NC1=NNC(C(=O)O)=N1 29975 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 O=C(O)C1=CC=C(Br)S1 27864 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.35 O=C(O)C1=CC=C(Cl)S1 27602 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 O=C(O)C1=CN=C(Br)S1 24728 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.35 O=C(O)C1=CSC(Br)=C1 30711 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.35 O=C(O)C1=CSC(Br)=N1 24727 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.35 O=C1C=C(C(=O)O)CC1 24056 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.35 O=C1NC=C(C(=O)O)N1 17662 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 O=C1N[C@H](C(=O)O)CS1 06280 [0,0,0,0,0,0|2,0,2]=4 18 B8R1.1 CC1=CNC(C=O)=N1 18048 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.1 CC1=NC(C=O)=CO1 18743 [1,0,0,0,0,0|1,1,0]=3 20 B8R1.1 CC1=NC(CN)=CS1 17362 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.1 CC1=NC=C(C=O)S1 26308 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.1 CN1C=C(C=O)C=N1 16984 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.1 CN1C=CC(C=O)=N1 17423 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.1 O=CC1=CC(I)=CN1 26177 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.1 O=CC1=CC=C(Br)S1 17121 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.1 O=CC1=CN=C(Cl)S1 26141 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.1 O=CC1=CSC(Br)=N1 24017 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.1 O=CC1=CSC(Cl)=N1 26291 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.1 OCC1=CSC(Br)=N1 24018 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.7 CC(=O)C1=CC=CO1 29786 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.7 CC(=O)C1=CSC=C1 26949 [1,0,0,0,0,0|1,0,0]=2 32 B8R1.7 CC(=O)N1C=CN=C1 02273 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.7 NC(=O)C1=CN=CO1 20849 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.7 NC(=O)C1=CN=CS1 26207 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.7 NC(=O)C1=CSC=N1 20877 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.7 NC(=S)C1=CSC=N1 20876 [1,0,0,0,0,0|2,1,0]=4 37 B8R1.7 O=C(O)C1=CC=CN1 24486 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.7 O=C(O)C1=CC=CO1 31538 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.7 O=C(O)C1=CC=NN1 17336 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.7 O=C(O)C1=CN=CO1 17808 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.7 O=C(O)C1=CN=CS1 17129 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.7 O=C(O)C1=CNC=N1 29769 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.7 O=C(O)C1=COC=C1 26942 [1,0,0,0,0,0|0,1,0]=2 44 B8R1.7 O=C(O)C1=COC=N1 17539 [1,0,0,0,0,0|1,1,0]=3 45 B8R1.7 O=C(O)C1=CON=C1 18200 [1,0,0,0,0,0|1,1,0]=3 46 B8R1.7 O=C(O)C1=CSC=C1 16738 [1,0,0,0,0,0|0,0,0]=1 47 B8R1.7 O=C(O)C1=CSC=C1 26948 [1,0,0,0,0,0|0,0,0]=1 48 B8R1.7 O=C(O)C1=CSC=N1 17027 [1,0,0,0,0,0|1,0,0]=2 49 B8R1.7 O=C(O)C1=NC=CO1 19468 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.7 O=C(O)C1=NC=CS1 17814 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.7 O=C(O)C1=NNC=N1 16998 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.7 O=C(O)C1=NOC=C1 17364 [1,0,0,0,0,0|1,1,0]=3 53 B8R1.7 O=C(O)C1=NSN=C1 17570 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.7 O=C(O)C1C=CCN1 07036 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.7 O=C(O)[C@@H]1C=CCN1 02563 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.7 OB(O)C1=CSC=C1 28088 [1,0,0,0,0,0|1,0,1]=3 57 B10R1.14 CC1=CC(C(=O)NN)=NO1 17287 [0,1,0,0,0,0|2,1,0]=4 58 B10R1.14 CC1=NC(C(=O)NN)=CO1 26360 [0,1,0,0,0,0|2,1,0]=4 59 B10R1.14 CC1=NC(C(=O)NN)=CS1 28372 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.14 CC1=NNC(C(=O)NN)=C1 25097 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.14 COC(=O)C1=CN=C(C)O1 18745 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.14 COC(=O)C1=CN=C(N)O1 24036 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.14 COC(=O)C1=NOC(C)=C1 24799 [0,1,0,0,0,0|1,1,0]=3 64 B10R1.31 CCC1=CC(C(=O)O)=NO1 18109 [0,1,0,0,0,0|1,1,0]=3 65 B10R1.31 O=C(O)C1=CC=C(CO)O1 31899 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.58 CC1=CC(C(=O)O)=NN1C 17098 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 30816 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 17143 [0,1,0,0,0,0|0,1,0]=2 69 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 17255 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 25030 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 25100 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.23 C=C(NC(C)=O)C(=O)O 11790 [0,0,1,0,0,0|1,1,0]=3 73 B10R1.13 CC(=O)C1=CC=C(C)C=C1 27193 [0,0,0,0,0,1|2,0,0]=3 74 B10R1.13 CC(=O)C1=CC=C(C)C=N1 17579 [0,0,0,0,0,1|2,0,0]=3 75 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 26758 [0,0,0,0,0,1|3,0,0]=4 76 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 28727 [0,0,0,0,0,1|3,0,0]=4 77 B10R1.13 CC(=O)C1=CC=C(F)C=C1 26748 [0,0,0,0,0,1|3,0,0]=4 78 B10R1.13 CC(=O)C1=CC=C(I)C=C1 27645 [0,0,0,0,0,1|3,0,0]=4 79 B10R1.13 CC(=O)C1=CC=C(O)C=C1 30857 [0,0,0,0,0,1|3,0,0]=4 80 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 17580 [0,0,0,0,0,1|3,0,0]=4 81 B10R1.13 CC1=CC=C(B(O)O)C=C1 30418 [0,0,0,0,0,1|2,0,1]=4 82 B10R1.13 CC1=CC=C(C(=N)N)C=C1 17210 [0,0,0,0,0,1|3,0,0]=4 83 B10R1.13 CC1=CC=C(C(C)O)C=C1 27421 [0,0,0,0,0,1|2,0,1]=4 84 B10R1.13 CC1=NC=C(C(N)=O)C=C1 27040 [0,0,0,0,0,1|2,0,0]=3 85 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 28858 [0,0,0,0,0,1|2,0,1]=4 86 B10R1.13 NC(=O)C1=CC=C(N)C=C1 31572 [0,0,0,0,0,1|3,0,0]=4 87 B10R1.13 NC(=O)C1=CC=C(O)C=C1 27157 [0,0,0,0,0,1|3,0,0]=4 88 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 28295 [0,0,0,0,0,1|3,0,0]=4 89 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 27009 [0,0,0,0,0,1|3,0,0]=4 90 B10R1.13 NC1=CC=C(C(=O)O)C=C1 01431 [0,0,0,0,0,1|2,0,0]=3 91 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 01581 [0,0,0,0,0,1|2,0,1]=4 92 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17086 [0,0,0,0,0,1|2,0,0]=3 93 B10R1.13 NC1=CN=C(C(=O)O)C=N1 19075 [0,0,0,0,0,1|2,0,0]=3 94 B10R1.13 NC1=NC=C(C(=O)O)C=C1 16981 [0,0,0,0,0,1|2,0,0]=3 95 B10R1.13 NC1=NN=C(C(=O)O)C=C1 19168 [0,0,0,0,0,1|3,0,0]=4 96 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 27696 [0,0,0,0,0,1|3,0,0]=4 97 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 28259 [0,0,0,0,0,1|2,0,0]=3 98 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 31562 [0,0,0,0,0,1|2,0,0]=3 99 B10R1.13 O=C(O)C1=CC=C(F)C=C1 26837 [0,0,0,0,0,1|2,0,0]=3 100 B10R1.13 O=C(O)C1=CC=C(I)C=C1 04894 [0,0,0,0,0,1|2,0,0]=3 101 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 25743 [0,0,0,0,0,1|2,0,0]=3 102 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 27008 [0,0,0,0,0,1|2,0,0]=3 103 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 29559 [0,0,0,0,0,1|2,0,0]=3 104 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 18713 [0,0,0,0,0,1|2,0,0]=3 105 B10R1.13 O=C(O)C1=CN=C(O)C=C1 24512 [0,0,0,0,0,1|2,0,0]=3 106 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 28862 [0,0,0,0,0,1|2,0,0]=3 107 B10R1.13 O=C(O)C1=NC=C(O)C=C1 28835 [0,0,0,0,0,1|2,0,0]=3 108 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 00597 [0,0,0,0,0,1|2,0,1]=4 109 B10R1.13 O=C1C=CC(C(=O)O)=CO1 28092 [0,0,0,0,0,1|1,1,0]=3 110 B10R1.54 CC1=NC(CC(=O)O)=CS1 17131 [0,0,0,0,0,1|1,0,0]=2 111 B10R1.54 CC1=NN(CC(=O)O)C=C1 17224 [0,0,0,0,0,1|3,0,0]=4 112 B10R1.54 CC1=NNC(CC(=O)O)=N1 18312 [0,0,0,0,0,1|3,0,0]=4 113 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 28669 [0,0,0,0,0,1|3,0,0]=4 114 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 29041 [0,0,0,0,0,1|3,0,0]=4 115 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 26733 [0,0,0,0,0,1|3,0,0]=4 116 B10R1.113 CC(=O)C1=CC=CC(C)=N1 17414 [0,0,0,0,0,1|3,0,0]=4 117 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 26755 [0,0,0,0,0,1|3,0,0]=4 118 B10R1.113 CC(=O)C1=CC=CC(F)=C1 26746 [0,0,0,0,0,1|3,0,0]=4 119 B10R1.113 CC(=O)C1=CC=CC(O)=C1 30369 [0,0,0,0,0,1|3,0,0]=4 120 B10R1.113 CC(=O)C1=NC=CC(C)=C1 28572 [0,0,0,0,0,1|2,0,0]=3 121 B10R1.113 CC1=CC([N+](=O)[O-])=CC=N1 28698 [0,0,0,0,0,1|2,0,1]=4 122 B10R1.113 CC1=CC([N+](=O)[O-])=NC=C1 28857 [0,0,0,0,0,1|2,0,1]=4 123 B10R1.113 CC1=CC=CC(C(=N)N)=C1 17682 [0,0,0,0,0,1|3,0,0]=4 124 B10R1.113 CC1=CC=CC(C(=O)O)=C1 29915 [0,0,0,0,0,1|1,0,0]=2 125 B10R1.113 CC1=CC=NC(B(O)O)=C1 17489 [0,0,0,0,0,1|2,0,1]=4 126 B10R1.113 CC1=CN=CC(C(=O)O)=C1 28423 [0,0,0,0,0,1|1,0,0]=2 127 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 21732 [0,0,0,0,0,1|2,0,0]=3 128 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 32536 [0,0,0,0,0,1|2,0,0]=3 129 B10R1.113 NC(=O)C1=CC(N)=CC=C1 31578 [0,0,0,0,0,1|3,0,0]=4 130 B10R1.113 NC(=O)C1=CC(N)=NC=C1 28791 [0,0,0,0,0,1|3,0,0]=4 131 B10R1.113 NC(=O)C1=CC=CC(I)=C1 27982 [0,0,0,0,0,1|3,0,0]=4 132 B10R1.113 NC1=CC(C(=O)O)=CC=C1 06887 [0,0,0,0,0,1|2,0,0]=3 133 B10R1.113 NC1=CC(C(=O)O)=CC=N1 28237 [0,0,0,0,0,1|2,0,0]=3 134 B10R1.113 NC1=CC(C(=O)O)=NC=C1 17204 [0,0,0,0,0,1|2,0,0]=3 135 B10R1.113 NC1=NC(C(=O)O)=CC=C1 28235 [0,0,0,0,0,1|3,0,0]=4 136 B10R1.113 NC1=NC(C(=O)O)=CC=N1 26235 [0,0,0,0,0,1|3,0,0]=4 137 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 25550 [0,0,0,0,0,1|2,0,0]=3 138 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 31561 [0,0,0,0,0,1|2,0,0]=3 139 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 28167 [0,0,0,0,0,1|2,0,0]=3 140 B10R1.113 O=C(O)C1=CC(F)=CC=C1 30016 [0,0,0,0,0,1|2,0,0]=3 141 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 28102 [0,0,0,0,0,1|3,0,0]=4 142 B10R1.113 O=C(O)C1=CC=C[N+]([O-])=C1 26991 [0,0,0,0,0,1|3,0,0]=4 143 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 28522 [0,0,0,0,0,1|2,0,0]=3 144 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 18712 [0,0,0,0,0,1|3,0,0]=4 145 B10R1.113 O=C(O)C1=CC=NC(O)=C1 17184 [0,0,0,0,0,1|2,0,0]=3 146 B10R1.113 O=C(O)C1=CN=CC(F)=C1 17284 [0,0,0,0,0,1|2,0,0]=3 147 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 27904 [0,0,0,0,0,1|3,0,0]=4 148 B10R1.113 O=C(O)C1=NC=CC(I)=C1 17484 [0,0,0,0,0,1|2,0,0]=3 149 B7R0.4 C\C=C\C=C\C(=O)O 01526 [1,0,1,0,0,0|1,0,0]=3 150 B7R0.4 C\C=C\C=C\C(=O)[O-] 22224 [1,0,1,0,0,0|1,0,1]=4 151 B7R0.6 O=C(O)\C=C/C(=O)O 01181 [1,0,1,0,0,0|1,1,0]=4 152 B7R1.1 N#CC1=CSC=C1 28089 [2,0,0,0,0,0|1,0,1]=4 153 B7R1.1 O=CC1=CC=CO1 32011 [2,0,0,0,0,0|2,0,0]=4 154 B7R1.1 O=CC1=CC=CS1 26946 [2,0,0,0,0,0|2,0,0]=4 155 B7R1.1 O=CC1=CN=CO1 19473 [2,0,0,0,0,0|2,0,0]=4 156 B7R1.1 O=CC1=CN=CS1 24726 [2,0,0,0,0,0|2,0,0]=4 157 B7R1.1 O=CC1=CNC=N1 28139 [2,0,0,0,0,0|2,0,0]=4 158 B7R1.1 O=CC1=CNN=C1 17608 [2,0,0,0,0,0|2,0,0]=4 159 B7R1.1 O=CC1=COC=N1 19470 [2,0,0,0,0,0|1,1,0]=4 160 B7R1.1 O=CC1=CON=C1 17796 [2,0,0,0,0,0|1,1,0]=4 161 B7R1.1 O=CC1=CSC=N1 17392 [2,0,0,0,0,0|1,0,0]=3 162 B7R1.1 O=CC1=NNC=C1 17422 [2,0,0,0,0,0|2,0,0]=4 163 B7R1.1 O=CC1=NOC=C1 17795 [2,0,0,0,0,0|1,1,0]=4 164 B7R1.1 O=CN1C=CN=C1 29216 [2,0,0,0,0,0|2,0,0]=4 165 B7R1.1 OCC1=COC=C1 26943 [2,0,0,0,0,0|0,1,1]=4 166 B7R1.1 OCC1=CSC=N1 28872 [2,0,0,0,0,0|1,0,1]=4 167 B9R1.21 CCC1=NNC(C=O)=C1 26655 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.21 CCN1C=C(C=O)C=N1 28591 [1,1,0,0,0,0|2,0,0]=4 169 B9R1.21 N#CC1=CSC(CN)=C1 20372 [1,1,0,0,0,0|1,0,1]=4 170 B9R1.22 CC1=NN(C)C=C1C=O 28114 [1,1,0,0,0,0|2,0,0]=4 171 B9R1.132 CC1=C(C=O)C=NN1C 29495 [1,1,0,0,0,0|2,0,0]=4 172 B9R1.132 CC1=NNC(C=O)=C1Cl 26654 [1,1,0,0,0,0|2,0,0]=4 173 B9R1.11 COC(=O)C1=CC=CN1 28422 [1,1,0,0,0,0|2,0,0]=4 174 B9R1.11 COC(=O)C1=CN=CS1 26172 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.11 COC(=O)C1=COC=C1 28925 [1,1,0,0,0,0|0,1,0]=3 176 B9R1.11 NNC(=O)C1=CSC=N1 20878 [1,1,0,0,0,0|2,0,0]=4 177 B9R1.11 O=C(O[Cu])C1=CC=CS1 31864 [1,1,0,0,0,0|2,0,0]=4 178 B9R1.41 CC1=C(C(=O)O)C=NO1 25805 [1,1,0,0,0,0|1,1,0]=4 179 B9R1.41 CC1=C(C(=O)O)N=CO1 26237 [1,1,0,0,0,0|1,1,0]=4 180 B9R1.41 CC1=C(C(=O)O)N=CS1 19136 [1,1,0,0,0,0|1,0,0]=3 181 B9R1.41 CC1=C(C(=O)O)SC=N1 25977 [1,1,0,0,0,0|2,0,0]=4 182 B9R1.41 CC1=NNC=C1C(=O)O 24720 [1,1,0,0,0,0|2,0,0]=4 183 B9R1.41 CC1=NOC=C1C(=O)O 17198 [1,1,0,0,0,0|1,1,0]=4 184 B9R1.41 CN1N=CC=C1C(=O)O 17033 [1,1,0,0,0,0|2,0,0]=4 185 B9R1.41 NC1=NNC=C1C(=O)O 30826 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.41 O=C(O)C1=C(Br)C=CS1 27708 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.41 O=C(O)C1=C(Br)SC=C1 30710 [1,1,0,0,0,0|0,0,0]=2 188 B9R1.41 O=C(O)C1=CSC=C1Br 17701 [1,1,0,0,0,0|0,0,0]=2 189 B9R1.41 O=C(O)C1=NNC=C1Br 26138 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 18069 [0,1,0,0,0,1|1,0,1]=4 191 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 04906 [0,1,0,0,0,1|1,0,1]=4 192 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 22537 [0,1,0,0,0,1|1,0,0]=3 193 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 31346 [0,1,0,0,0,1|2,0,0]=4 194 B11R1.3 COC1=CC=C(C(=O)O)C=C1 30356 [0,1,0,0,0,1|1,0,0]=3 195 B11R1.3 COC1=CC=C(C(=O)O)N=N1 26301 [0,1,0,0,0,1|2,0,0]=4 196 B11R1.3 COC1=CC=C(C(C)=O)C=C1 30355 [0,1,0,0,0,1|2,0,0]=4 197 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 30859 [0,1,0,0,0,1|2,0,0]=4 198 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 14307 [0,1,0,0,0,1|1,0,0]=3 199 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 28787 [0,1,0,0,0,1|2,0,0]=4 200 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 30427 [0,1,0,0,0,1|1,0,0]=3 201 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 02318 [0,1,0,0,0,1|1,0,0]=3 202 B11R1.3 O=C(O)C1=CC=C([Hg]Cl)C=C1 21608 [0,1,0,0,0,1|2,0,0]=4 203 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 27092 [0,1,0,0,0,1|1,0,1]=4 204 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 02359 [0,1,0,0,0,1|2,0,0]=4 205 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 30097 [0,1,0,0,0,1|2,0,0]=4 206 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 31232 [0,1,0,0,0,1|2,0,0]=4 207 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 31532 [0,1,0,0,0,1|2,0,0]=4 208 B11R1.21 CC(=O)C1=CC=C(C)C(Br)=C1 28652 [0,1,0,0,0,1|2,0,0]=4 209 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 26089 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 26836 [0,1,0,0,0,1|1,0,0]=3 211 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 27650 [0,1,0,0,0,1|1,0,0]=3 212 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 27654 [0,1,0,0,0,1|2,0,0]=4 213 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 27242 [0,1,0,0,0,1|1,0,0]=3 214 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 27138 [0,1,0,0,0,1|1,0,0]=3 215 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 27137 [0,1,0,0,0,1|2,0,0]=4 216 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 26832 [0,1,0,0,0,1|1,0,0]=3 217 B11R1.21 CC1=CC(C(=O)O)=CC=C1O 28602 [0,1,0,0,0,1|2,0,0]=4 218 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 28729 [0,1,0,0,0,1|2,0,0]=4 219 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=N1 29313 [0,1,0,0,0,1|2,0,0]=4 220 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 28357 [0,1,0,0,0,1|2,0,0]=4 221 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 31569 [0,1,0,0,0,1|2,0,0]=4 222 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 24532 [0,1,0,0,0,1|2,0,0]=4 223 B11R1.21 O=C(O)C1=CC(Br)=C(O)C=C1 29089 [0,1,0,0,0,1|2,0,0]=4 224 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 29094 [0,1,0,0,0,1|2,0,0]=4 225 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 26840 [0,1,0,0,0,1|2,0,0]=4 226 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 21881 [0,1,0,0,0,1|2,0,0]=4 227 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 17497 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 27836 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.21 O=C(O)C1=CN=C(O)C(Cl)=C1 27720 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.22 CC1=CC=C(C(=O)C#N)C=C1 19478 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 30849 [0,1,0,0,0,1|2,0,0]=4 232 B11R1.22 CC1=CC=C(C(=O)NN)C=N1 25958 [0,1,0,0,0,1|2,0,0]=4 233 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 30414 [0,1,0,0,0,1|2,0,0]=4 234 B11R1.22 COC(=O)C1=CC=C(Br)C=N1 28838 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.22 COC(=O)C1=CC=C(F)C=C1 30021 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.22 COC(=O)C1=CC=C(I)C=C1 27404 [0,1,0,0,0,1|2,0,0]=4 237 B11R1.22 COC(=O)C1=CN=C(C)C=C1 30854 [0,1,0,0,0,1|1,0,0]=3 238 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 27477 [0,1,0,0,0,1|2,0,0]=4 239 B11R1.22 COC(=O)C1=COC(=O)C=C1 27235 [0,1,0,0,0,1|1,1,0]=4 240 B11R1.166 CC(=O)C1=CC=C(C)C=C1O 24914 [0,1,0,0,0,1|2,0,0]=4 241 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 27653 [0,1,0,0,0,1|2,0,0]=4 242 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 17475 [0,1,0,0,0,1|2,0,0]=4 243 B11R1.166 CC1=C(C(=O)O)C=CC(O)=C1 28616 [0,1,0,0,0,1|2,0,0]=4 244 B11R1.166 CC1=C(C(=O)O)N=CC(Br)=C1 26218 [0,1,0,0,0,1|2,0,0]=4 245 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 26826 [0,1,0,0,0,1|1,0,0]=3 246 B11R1.166 CC1=CC(N)=NC=C1C(=O)O 29221 [0,1,0,0,0,1|2,0,0]=4 247 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 29907 [0,1,0,0,0,1|1,0,0]=3 248 B11R1.166 CC1=CC=C(C(=O)O)C(C)=N1 18665 [0,1,0,0,0,1|1,0,0]=3 249 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 21237 [0,1,0,0,0,1|2,0,0]=4 250 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 31570 [0,1,0,0,0,1|2,0,0]=4 251 B11R1.166 NC1=CC(Cl)=CC=C1C(=O)O 21851 [0,1,0,0,0,1|2,0,0]=4 252 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 24633 [0,1,0,0,0,1|2,0,0]=4 253 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 02102 [0,1,0,0,0,1|2,0,0]=4 254 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=N1 28942 [0,1,0,0,0,1|2,0,0]=4 255 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 27590 [0,1,0,0,0,1|2,0,0]=4 256 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 31563 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)N=C1 23268 [0,1,0,0,0,1|2,0,0]=4 258 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 31153 [0,1,0,0,0,1|2,0,0]=4 259 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 28404 [0,1,0,0,0,1|2,0,0]=4 260 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 24579 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.166 O=C(O)C1=CC=C(I)C=C1Cl 28905 [0,1,0,0,0,1|2,0,0]=4 262 B11R1.645 O=C(O)CC1=CC(=O)OC1=O 21622 [0,1,0,0,0,1|1,1,0]=4 263 B11R1.23 CC1=CC=CC(C(=O)C#N)=C1 19476 [0,1,0,0,0,1|2,0,0]=4 264 B11R1.23 COC(=O)C1=CC(N)=NC=C1 28826 [0,1,0,0,0,1|2,0,0]=4 265 B11R1.23 COC(=O)C1=CN=CC(Br)=C1 25549 [0,1,0,0,0,1|2,0,0]=4 266 B11R1.23 COC(=O)C1=CN=CC(N)=C1 18099 [0,1,0,0,0,1|2,0,0]=4 267 B11R1.23 COC(=O)C1=NC(C)=CC=C1 28924 [0,1,0,0,0,1|2,0,0]=4 268 B11R1.74 CC1=CC(C(=O)Cl)=CC(Cl)=N1 25714 [0,1,0,0,0,1|2,0,0]=4 269 B11R1.74 CC1=CC(C(=O)O)=CC(=O)N1 25552 [0,1,0,0,0,1|1,0,0]=3 270 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 25692 [0,1,0,0,0,1|1,0,0]=3 271 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 21256 [0,1,0,0,0,1|1,0,0]=3 272 B11R1.74 CC1=NC(Cl)=CC(C(=O)O)=C1 25553 [0,1,0,0,0,1|1,0,0]=3 273 B11R1.74 NC1=CC(Br)=CC(C(=O)O)=C1 28229 [0,1,0,0,0,1|2,0,0]=4 274 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 27695 [0,1,0,0,0,1|2,0,0]=4 275 B11R1.74 O=C(O)C1=CC(I)=CC(Br)=C1 28173 [0,1,0,0,0,1|2,0,0]=4 276 B11R1.74 O=C(O)C1=CC(O)=CC(Br)=C1 28999 [0,1,0,0,0,1|2,0,0]=4 277 B11R1.74 O=C(O)C1=CC(O)=CC(Cl)=C1 18890 [0,1,0,0,0,1|2,0,0]=4 278 B11R1.159 CC1=C(Br)C(C(=O)O)=CC=C1 27861 [0,1,0,0,0,1|1,0,0]=3 279 B11R1.159 CC1=C(Br)C=CC=C1C(=O)O 26118 [0,1,0,0,0,1|2,0,0]=4 280 B11R1.159 CC1=C(C(=O)O)C=CC=C1Cl 27721 [0,1,0,0,0,1|2,0,0]=4 281 B11R1.159 CC1=C(C(=O)O)C=CC=C1O 28377 [0,1,0,0,0,1|2,0,0]=4 282 B11R1.159 CC1=C(Cl)C(C(=O)O)=CC=C1 27865 [0,1,0,0,0,1|1,0,0]=3 283 B11R1.159 CC1=C(I)C=CC=C1C(=O)O 28302 [0,1,0,0,0,1|2,0,0]=4 284 B11R1.159 CC1=C(N)C(C(=O)O)=CC=C1 27140 [0,1,0,0,0,1|1,0,0]=3 285 B11R1.159 CC1=C(N)C=CC=C1C(=O)O 27829 [0,1,0,0,0,1|2,0,0]=4 286 B11R1.159 CC1=CC=CC(C(=O)O)=C1O 26822 [0,1,0,0,0,1|1,0,0]=3 287 B11R1.159 NC1=C(O)C(C(=O)O)=CC=C1 27240 [0,1,0,0,0,1|2,0,0]=4 288 B11R1.159 NC1=CC=CC(C(=O)O)=C1Cl 28171 [0,1,0,0,0,1|2,0,0]=4 289 B11R1.159 NC1=CC=CC(C(=O)O)=C1N 29440 [0,1,0,0,0,1|2,0,0]=4 290 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 31152 [0,1,0,0,0,1|2,0,0]=4 291 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 28928 [0,1,0,0,0,1|2,0,0]=4 292 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 29214 [0,1,0,0,0,1|2,0,0]=4 293 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 27152 [0,1,0,0,0,1|1,0,0]=3 294 B11R1.167 CC1=CC=C(Br)C(C(=O)O)=C1 27862 [0,1,0,0,0,1|1,0,0]=3 295 B11R1.167 CC1=CC=C(Br)C=C1C(=O)O 28296 [0,1,0,0,0,1|2,0,0]=4 296 B11R1.167 CC1=CC=C(Cl)C=C1C(=O)O 27651 [0,1,0,0,0,1|2,0,0]=4 297 B11R1.167 CC1=CC=C(I)C=C1C(=O)O 31957 [0,1,0,0,0,1|2,0,0]=4 298 B11R1.167 CC1=NN=C(Cl)C(C(=O)O)=C1 24025 [0,1,0,0,0,1|1,0,0]=3 299 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 21240 [0,1,0,0,0,1|2,0,0]=4 300 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 27149 [0,1,0,0,0,1|2,0,0]=4 301 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 29523 [0,1,0,0,0,1|2,0,0]=4 302 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 21254 [0,1,0,0,0,1|2,0,0]=4 303 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 31571 [0,1,0,0,0,1|2,0,0]=4 304 B11R1.167 NC1=CC(C(=O)O)=C(Cl)N=C1 19066 [0,1,0,0,0,1|2,0,0]=4 305 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 31581 [0,1,0,0,0,1|2,0,0]=4 306 B11R1.167 NC1=CC=C(F)C=C1C(=O)O 24582 [0,1,0,0,0,1|2,0,0]=4 307 B11R1.167 NC1=CN=C(Cl)C=C1C(=O)O 28970 [0,1,0,0,0,1|2,0,0]=4 308 B11R1.167 NC1=CN=C(F)C=C1C(=O)O 19068 [0,1,0,0,0,1|2,0,0]=4 309 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=C1 27368 [0,1,0,0,0,1|2,0,0]=4 310 B11R1.167 O=C(O)C1=C(Br)C=CC(O)=C1 28998 [0,1,0,0,0,1|2,0,0]=4 311 B11R1.167 O=C(O)C1=C(Cl)C=CC(F)=C1 28107 [0,1,0,0,0,1|2,0,0]=4 312 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=C1 28820 [0,1,0,0,0,1|2,0,0]=4 313 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=C1 26824 [0,1,0,0,0,1|2,0,0]=4 314 B11R1.167 O=C(O)C1=C(O)C=CC(Cl)=C1 26825 [0,1,0,0,0,1|2,0,0]=4 315 B11R1.167 O=C(O)C1=CC(Br)=CC=C1I 31946 [0,1,0,0,0,1|2,0,0]=4 316 B11R1.167 O=C(O)C1=CC(Br)=NC=C1F 31169 [0,1,0,0,0,1|2,0,0]=4 317 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Cl 28344 [0,1,0,0,0,1|2,0,0]=4 318 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl 28676 [0,1,0,0,0,1|2,0,0]=4 319 B11R1.167 O=C(O)C1=CC(I)=CC=C1Br 27859 [0,1,0,0,0,1|2,0,0]=4 320 B11R1.167 O=C(O)C1=CC(I)=CC=C1Cl 31744 [0,1,0,0,0,1|2,0,0]=4 321 B11R1.167 O=C(O)C1=CC(O)=CC=C1I 28288 [0,1,0,0,0,1|2,0,0]=4 322 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 18900 [0,1,0,0,0,1|1,0,1]=4 323 B11R1.266 COC1=CC(C(=O)O)=CC=N1 28871 [0,1,0,0,0,1|1,0,0]=3 324 B11R1.266 COC1=CC=CC(C(C)=O)=C1 30858 [0,1,0,0,0,1|2,0,0]=4 325 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 05410 [0,1,0,0,0,1|1,0,1]=4 326 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 07165 [0,1,0,0,0,1|1,0,0]=3 327 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 28733 [0,1,0,0,0,1|1,0,0]=3 328 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 28927 [0,1,0,0,0,1|1,0,0]=3 329 B11R1.15 CCOC(=O)C1=CC(C)=NN1 26076 [0,2,0,0,0,0|2,0,0]=4 330 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 24982 [0,2,0,0,0,0|2,0,0]=4 331 B11R1.15 CCOC(=O)C1=CSC(C)=N1 29995 [0,2,0,0,0,0|1,0,0]=3 332 B11R1.15 CCOC(=O)C1=CSC(Cl)=N1 24742 [0,2,0,0,0,0|2,0,0]=4 333 B11R1.15 CCOC(=O)C1=CSC(N)=N1 29994 [0,2,0,0,0,0|2,0,0]=4 334 B11R1.15 CCOC(=O)C1=NOC(C)=C1 25496 [0,2,0,0,0,0|1,1,0]=4 335 B11R1.225 COC(=O)C1=C(Br)SC(C)=C1 24055 [0,2,0,0,0,0|0,0,0]=2 336 B11R1.225 COC(=O)C1=C(Br)SC(C)=N1 26285 [0,2,0,0,0,0|1,0,0]=3 337 B11R1.225 COC(=O)C1=C(N)C=C(C)S1 24158 [0,2,0,0,0,0|2,0,0]=4 338 B11R1.225 COC(=O)C1=CC(C)=NN1C 24919 [0,2,0,0,0,0|2,0,0]=4 339 B11R1.226 COC(=O)C1=NN(C)C(C)=C1 25007 [0,2,0,0,0,0|2,0,0]=4 340 B11R1.48 CCC1=CC(C(=O)O)=NN1C 19113 [0,2,0,0,0,0|2,0,0]=4 341 B11R1.48 CCN1N=C(C(=O)O)C=C1C 25110 [0,2,0,0,0,0|2,0,0]=4 342 B11R1.50 CCN1C=C(C(=O)O)C(C)=N1 28590 [0,2,0,0,0,0|2,0,0]=4 343 B11R1.124 CCCC1=CC(C(=O)O)=NO1 17289 [0,2,0,0,0,0|1,1,0]=4 344 B11R1.175 CC(=O)C1=CC=C(C(=O)O)S1 29972 [0,2,0,0,0,0|2,0,0]=4 345 B11R1.175 CC(C)C1=CC(C(=O)O)=NO1 17501 [0,2,0,0,0,0|1,1,0]=4 346 B11R1.175 CC(C)N1C=C(C(=O)O)C=N1 17140 [0,2,0,0,0,0|2,0,0]=4 347 B11R1.672 CC1=C(Br)C(C(=O)O)=NN1C 28589 [0,2,0,0,0,0|2,0,0]=4 348 B11R1.49 CCN1N=C(C)C=C1C(=O)O 25101 [0,2,0,0,0,0|2,0,0]=4 349 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Br 28588 [0,2,0,0,0,0|2,0,0]=4 350 B9R1.6 O=C(O)C1=CC=CC=C1 00477 [0,0,1,1,0,0|1,0,1]=4 351 B9R1.6 O=C(O)C1=CC=CC=C1 27349 [0,0,1,1,0,0|1,0,1]=4 352 B9R1.6 O=C(O)C1=CC=CC=C1 32003 [0,0,1,1,0,0|1,0,1]=4 353 B9R1.6 O=C(O)C1=CC=CN=C1 01616 [0,0,1,1,0,0|1,0,1]=4 354 B9R1.2 O=CC1=CC(Br)=CC=C1 21244 [1,0,0,0,0,1|2,0,0]=4 355 B9R1.2 O=CC1=CC(Br)=NC=C1 28825 [1,0,0,0,0,1|2,0,0]=4 356 B9R1.2 O=CC1=CC(Cl)=CC=C1 31157 [1,0,0,0,0,1|2,0,0]=4 357 B9R1.2 O=CC1=CC(F)=CC=C1 30014 [1,0,0,0,0,1|2,0,0]=4 358 B9R1.2 O=CC1=CC(F)=NC=C1 26194 [1,0,0,0,0,1|2,0,0]=4 359 B9R1.2 O=CC1=CC(O)=CC=C1 21925 [1,0,0,0,0,1|2,0,0]=4 360 B9R1.2 O=CC1=CC(O)=NC=C1 17656 [1,0,0,0,0,1|2,0,0]=4 361 B9R1.13 O=C(O)CC1=CNC=N1 26054 [1,0,0,0,0,1|2,0,0]=4 362 B9R1.13 O=C(O)CN1C=CN=C1 28546 [1,0,0,0,0,1|2,0,0]=4 363 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 21980 [0,0,0,0,0,2|1,0,0]=3 364 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 26910 [0,0,0,0,0,2|2,0,0]=4 365 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 21248 [0,0,0,0,0,2|2,0,0]=4 366 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 27878 [0,0,0,0,0,2|2,0,0]=4 367 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 21242 [0,0,0,0,0,2|2,0,0]=4 368 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 28402 [0,0,0,0,0,2|2,0,0]=4 369 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 28953 [0,0,0,0,0,2|2,0,0]=4 370 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 27657 [0,0,0,0,0,2|2,0,0]=4