0 B12R1.56 CC1=C(C#N)C=C(C(=O)O)C=C1 L20132 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.56 CC1=C(C=O)C=C(C(=O)O)C=C1 N24874 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.56 CC1=NC=C(C(=O)O)C=C1C#N Q60502 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.56 CCC1=C(Cl)C=CC(B(O)O)=C1 N24674 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.56 CCC1=C(Cl)C=CC(C(=O)O)=C1 N25337 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.56 COC1=C(Br)C=CC(B(O)O)=C1 N25139 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=N1 Q53213 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.56 COC1=C(Cl)N=CC(C(N)=O)=C1 O29866 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 N25905 [0,0,0,0,0,0|1,0,1]=2 9 B12R1.56 COC1=CC(B(O)O)=CC=C1Cl Q67284 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.56 COC1=CC(B(O)O)=CC=C1F Q66981 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.56 COC1=CC(B(O)O)=CN=C1Br N26742 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.56 COC1=CC(B(O)O)=CN=C1Cl N25890 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.56 COC1=CC(B(O)O)=CN=C1F N25246 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.56 COC1=CC(C(=O)O)=CC=C1Br Q66050 [0,0,0,0,0,0|1,0,0]=1 15 B12R1.56 COC1=CC(C(=O)O)=CC=C1Cl Q66690 [0,0,0,0,0,0|1,0,0]=1 16 B12R1.56 COC1=CC(C(=O)O)=CC=C1F I-9256 [0,0,0,0,0,0|1,0,0]=1 17 B12R1.56 COC1=CC(C(=O)O)=CN=C1Br N26442 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.56 COC1=CC(C(=O)O)=CN=C1Cl N25510 [0,0,0,0,0,0|2,0,0]=2 19 B12R1.56 COC1=CC(C(=O)O)=CN=C1F N27051 [0,0,0,0,0,0|2,0,0]=2 20 B12R1.56 COC1=CC(C(C)=O)=CC=C1F N24115 [0,0,0,0,0,0|2,0,0]=2 21 B12R1.56 COC1=CC(C(C)=O)=CN=C1Br N27081 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.56 COC1=NC(C(C)=O)=NC=C1F O32120 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.56 COC1=NC(C(C)C)=CC=C1O Q68847 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.56 CSC1=C(F)C=CC(B(O)O)=C1 N26865 [0,0,0,0,0,0|2,1,1]=4 25 B12R1.56 CSC1=CC(B(O)O)=CC=C1Br Q68494 [0,0,0,0,0,0|2,1,1]=4 26 B12R1.56 CSC1=CC(C(=O)O)=CC=C1Br Q68596 [0,0,0,0,0,0|1,1,0]=2 27 B12R1.56 CSC1=CC(C(=O)O)=CC=C1F N26479 [0,0,0,0,0,0|1,1,0]=2 28 B12R1.56 O=CC1=C(O)C=CC(B(O)O)=C1 N26186 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.56 O=CC1=CC(C(=O)O)=CC=C1Br P43210 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.21 CC(=O)C1=CC=C(Br)C(Cl)=C1 M15796 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.21 CC(=O)C1=CC=C(Cl)C(Br)=C1 Q66292 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.21 CC(=O)C1=CC=C(F)C(O)=C1 N25331 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.21 CC1=C(Br)C=CC(B(O)O)=C1 N24268 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.21 CC1=C(Br)N=C(C(=O)O)C=C1 Q53116 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=N1 Q60858 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.21 CC1=C(O)C=C(B(O)O)C=C1 N25142 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.21 CC1=C(O)C=C(C(=O)O)C=N1 Q60795 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.21 CC1=C(O)C=CC(B(O)O)=C1 N26054 [1,0,0,0,0,0|1,0,1]=3 39 B11R1.21 CC1=C(O)N=CC(B(O)O)=C1 P51273 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.21 CC1=C(O)N=CC(C(=O)O)=C1 L19518 [1,0,0,0,0,0|1,0,0]=2 41 B11R1.21 CC1=CC(B(O)O)=CC=C1Cl Q66430 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.21 CC1=CC(C(=O)Cl)=NC=C1Br N27305 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.21 CC1=CC(C(=O)O)=CN=C1Br Q66669 [1,0,0,0,0,0|2,0,0]=3 44 B11R1.21 CC1=CC(C(=O)O)=CN=C1C Q68802 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.21 CC1=CC(C(=O)O)=CN=C1C Q69971 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.21 CC1=CC(C(=O)O)=CN=C1Cl N25124 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.21 CC1=CC(C(=O)O)=CN=C1F Q66670 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.21 CC1=CC(C(=O)O)=NC=C1Br Q67785 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.21 CC1=CC(C(N)=O)=CC=C1N M15755 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.21 CC1=CC(C(N)=O)=NC=C1Br N25351 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.21 CC1=CC([N+](=O)[O-])=NC=C1O Q53101 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.21 CC1=CC=C(C(C)O)C=C1C M22902 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.21 CC1=CN=C(C(=O)O)C=C1C Q60799 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.21 CC1=CN=C(C(=O)O)C=C1Cl Q52680 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.21 CC1=CN=C(C(=O)O)C=C1N Q53529 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.21 CC1=NC(C(=O)Cl)=CC=C1Br N27313 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.21 CC1=NC(C(=O)O)=CC=C1Br Q67308 [1,0,0,0,0,0|2,0,0]=3 58 B11R1.21 CC1=NC(C(N)=O)=CC=C1Br N25229 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.21 CC1=NC([N+](=O)[O-])=CC=C1O O34208 [1,0,0,0,0,0|2,0,1]=4 60 B11R1.21 CC1=NC=C(C(=O)O)C=C1Br P51094 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.21 CC1=NC=C(C(=O)O)C=C1N G-6537 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.21 CN1C=C(C(=O)O)C=CC1=O G-5206 [1,0,0,0,0,0|1,0,1]=3 63 B11R1.21 CN1C=CC(C(=O)O)=CC1=O C-2302 [1,0,0,0,0,0|2,0,1]=4 64 B11R1.21 CN1N=C(C(=O)O)C=CC1=O L21788 [1,0,0,0,0,0|2,0,1]=4 65 B11R1.21 NC1=C(O)C=C(C(=O)O)C=N1 L19943 [1,0,0,0,0,0|2,0,0]=3 66 B11R1.21 NC1=C(S)C=C(C(=O)O)C=C1 A-871 [1,0,0,0,0,0|1,1,0]=3 67 B11R1.21 NC1=C(S)C=CC(C(=O)O)=C1 H-8774 [1,0,0,0,0,0|1,1,0]=3 68 B11R1.21 NC1=CC(C(=O)O)=CC=C1S K16116 [1,0,0,0,0,0|1,1,0]=3 69 B11R1.21 NC1=CC(C(=O)O)=NC=C1Br L13873 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)N=C1 C-3764 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.21 O=C(O)C1=CC(F)=C(Cl)N=C1 O31712 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=C1 P37038 [1,0,0,0,0,0|2,0,0]=3 73 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=C1 K13440 [1,0,0,0,0,0|2,0,0]=3 74 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 L13055 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.21 O=C(O)C1=NC(Br)=C(Cl)C=C1 O31936 [1,0,0,0,0,0|3,0,0]=4 76 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 O33279 [1,0,0,0,0,0|3,0,0]=4 77 B11R1.21 O=C(O)C1=NC(Cl)=C(Br)C=C1 L18290 [1,0,0,0,0,0|3,0,0]=4 78 B11R1.21 O=C(O)C1=NC(F)=C(F)C=C1 F-4046 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 Q60811 [1,0,0,0,0,0|2,0,0]=3 80 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 Q65591 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.21 O=C(O)C1=NC=C(Cl)C(Cl)=C1 Q60752 [1,0,0,0,0,0|3,0,0]=4 82 B11R1.21 O=[N+]([O-])C1=CC(O)=C(F)C=C1 P45931 [1,0,0,0,0,0|2,0,1]=4 83 B11R1.21 O=[N+]([O-])C1=CC=C(Br)C(O)=C1 O31196 [1,0,0,0,0,0|2,0,1]=4 84 B11R1.21 OB(O)C1=CC(O)=C(Br)C=C1 N25862 [1,0,0,0,0,0|2,0,1]=4 85 B11R1.21 OB(O)C1=CC(O)=C(Cl)C=C1 N25249 [1,0,0,0,0,0|2,0,1]=4 86 B11R1.21 OB(O)C1=CC(O)=C(F)C=C1 N24560 [1,0,0,0,0,0|2,0,1]=4 87 B11R1.21 OB(O)C1=CC=C(O)C(Cl)=C1 Q66714 [1,0,0,0,0,0|2,0,1]=4 88 B11R1.21 OB(O)C1=CC=C(O)C(F)=C1 O31813 [1,0,0,0,0,0|2,0,1]=4 89 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 O28043 [1,0,0,0,0,0|1,0,1]=3 90 B11R1.266 C#CC1=CC(C(C)=O)=CC=C1 O28811 [1,0,0,0,0,0|2,0,1]=4 91 B11R1.266 C#CC1=CC(C(N)=O)=CC=C1 M23346 [1,0,0,0,0,0|2,0,1]=4 92 B11R1.266 C=CC1=CC(C(=O)O)=CC=C1 P39070 [1,0,0,0,0,0|1,0,1]=3 93 B11R1.266 CCC1=CC(B(O)O)=CC=C1 Q67300 [1,0,0,0,0,0|2,0,1]=4 94 B11R1.266 CCC1=CC(C(=O)O)=CC=C1 P37036 [1,0,0,0,0,0|1,0,0]=2 95 B11R1.266 CCC1=CC(C(=O)O)=NC=C1 Q60534 [1,0,0,0,0,0|2,0,0]=3 96 B11R1.266 CCC1=NC(C(=O)O)=CC=C1 Q60685 [1,0,0,0,0,0|2,0,0]=3 97 B11R1.266 CNC1=CC(C(=O)O)=CC=C1 P37710 [1,0,0,0,0,0|1,0,0]=2 98 B11R1.266 COC1=CC(C(=O)O)=CN=C1 Q67568 [1,0,0,0,0,0|1,0,0]=2 99 B11R1.266 COC1=CC(C(C)=O)=NC=C1 O30173 [1,0,0,0,0,0|2,0,0]=3 100 B11R1.266 COC1=CC=CC(C(=O)O)=N1 P39197 [1,0,0,0,0,0|1,0,0]=2 101 B11R1.266 COC1=CC=CC(C(C)C)=C1 N26938 [1,0,0,0,0,0|2,0,1]=4 102 B11R1.266 COC1=CN=CC(B(O)O)=C1 N24201 [1,0,0,0,0,0|2,0,1]=4 103 B11R1.266 COC1=NC(C(=O)O)=CC=N1 Q62605 [1,0,0,0,0,0|2,0,0]=3 104 B11R1.266 COC1=NC(C(=O)O)=NC=C1 Q60646 [1,0,0,0,0,0|2,0,0]=3 105 B11R1.266 COC1=NC=CC(B(O)O)=C1 P36205 [1,0,0,0,0,0|2,0,1]=4 106 B11R1.266 COC1=NC=CC(C(C)=O)=C1 O30294 [1,0,0,0,0,0|2,0,0]=3 107 B11R1.266 COC1=NN=CC(C(=O)O)=C1 L14279 [1,0,0,0,0,0|2,0,0]=3 108 B11R1.266 CSC1=CN=CC(C(=O)O)=C1 N26072 [1,0,0,0,0,0|1,1,0]=3 109 B11R1.266 N#CC1=CC(C(=O)O)=NC=C1 O31274 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.266 N#CC1=CC(C(N)=O)=CC=C1 P38673 [1,0,0,0,0,0|3,0,0]=4 111 B11R1.266 NC(=O)C1=CC=CC(C=O)=C1 P41901 [1,0,0,0,0,0|3,0,0]=4 112 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 10633 [1,0,0,0,0,0|2,0,0]=3 113 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 O28911 [1,0,0,0,0,0|2,0,0]=3 114 B11R1.266 NCC1=CC(C(N)=O)=CC=C1 O28730 [1,0,0,0,0,0|3,0,0]=4 115 B11R1.266 NNC1=CC(C(=O)O)=NC=C1 Q62382 [1,0,0,0,0,0|3,0,0]=4 116 B11R1.266 O=C(O)C1=CC(CO)=NC=C1 Q60757 [1,0,0,0,0,0|3,0,0]=4 117 B11R1.266 O=C(O)C1=CC=CC(CS)=C1 P39077 [1,0,0,0,0,0|2,0,0]=3 118 B11R1.266 O=CC1=NC(C(=O)O)=CC=C1 Q62315 [1,0,0,0,0,0|3,0,0]=4 119 B11R1.280 CCC1=C(Cl)C=CC(C=O)=C1 N24684 [1,0,0,0,0,0|2,0,0]=3 120 B11R1.280 CCC1=C(Cl)C=CC(CO)=C1 N25589 [1,0,0,0,0,0|2,0,1]=4 121 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 N24454 [1,0,0,0,0,0|1,0,1]=3 122 B11R1.280 COC1=CC(C#N)=CC=C1Cl N24459 [1,0,0,0,0,0|2,0,1]=4 123 B11R1.280 COC1=CC(C=O)=CC=C1Br O30813 [1,0,0,0,0,0|1,0,0]=2 124 B11R1.280 COC1=CC(C=O)=CC=C1C Q66680 [1,0,0,0,0,0|1,0,0]=2 125 B11R1.280 COC1=CC(C=O)=CN=C1Br N26263 [1,0,0,0,0,0|2,0,0]=3 126 B11R1.280 COC1=CC(C=O)=CN=C1Cl N26264 [1,0,0,0,0,0|2,0,0]=3 127 B11R1.280 COC1=CC(C=O)=CN=C1F N25807 [1,0,0,0,0,0|2,0,0]=3 128 B11R1.280 COC1=CC(C=O)=NC=C1C S72552 [1,0,0,0,0,0|2,0,0]=3 129 B11R1.280 COC1=CC(CN)=CC=C1C O32190 [1,0,0,0,0,0|2,0,1]=4 130 B11R1.280 COC1=CC(CO)=CC=C1Br N24448 [1,0,0,0,0,0|1,0,1]=3 131 B11R1.280 COC1=CC(CO)=CC=C1C P37968 [1,0,0,0,0,0|1,0,1]=3 132 B11R1.280 COC1=CC(CO)=CC=C1F Q67723 [1,0,0,0,0,0|1,0,1]=3 133 B11R1.280 COC1=CC(CO)=CN=C1Br N27808 [1,0,0,0,0,0|2,0,1]=4 134 B11R1.280 COC1=CC(CO)=CN=C1Cl N25712 [1,0,0,0,0,0|2,0,1]=4 135 B11R1.280 COC1=CC(SC)=CC=C1F Q68737 [1,0,0,0,0,0|3,0,0]=4 136 B11R1.280 COC1=CC=C(O)C(OC)=N1 N26055 [1,0,0,0,0,0|3,0,0]=4 137 B11R1.280 CSC1=C(C)C=CC(C=O)=C1 N27220 [1,0,0,0,0,0|1,1,0]=3 138 B11R1.280 CSC1=C(F)C=CC(C=O)=C1 N27188 [1,0,0,0,0,0|1,1,0]=3 139 B11R1.280 CSC1=C(F)C=CC(CO)=C1 N27002 [1,0,0,0,0,0|1,1,1]=4 140 B11R1.280 CSC1=CC(C=O)=CC=C1Br Q68493 [1,0,0,0,0,0|1,1,0]=3 141 B13R1.13 CC(C)C1=C(Cl)C=CC(C(=O)O)=C1 N26234 [0,1,0,0,0,0|2,0,0]=3 142 B13R1.13 CC(C)C1=C(O)C=CC(B(O)O)=C1 N26206 [0,1,0,0,0,0|2,0,1]=4 143 B13R1.13 CC1=CC=C(C(=O)O)C=C1C(=O)O P51282 [0,1,0,0,0,0|3,0,0]=4 144 B13R1.13 NC1=CC=C(C(=O)O)C=C1C(=O)O O31845 [0,1,0,0,0,0|3,0,0]=4 145 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(S)C=C1 H-8773 [0,1,0,0,0,0|2,1,0]=4 146 B13R1.13 O=C(O)C1=CC=C(Br)C(B(O)O)=C1 N26694 [0,1,0,0,0,0|3,0,0]=4 147 B13R1.13 O=C(O)C1=CC=C(Cl)C(B(O)O)=C1 Q66698 [0,1,0,0,0,0|3,0,0]=4 148 B13R1.13 O=C(O)C1=CC=C(F)C(B(O)O)=C1 N24128 [0,1,0,0,0,0|3,0,0]=4 149 B13R1.13 O=C(O)C1=CN=C(O)C([N+](=O)[O-])=C1 I-9141 [0,1,0,0,0,0|3,0,0]=4 150 B13R1.49 CCC1=C(Cl)C=CC(C(=O)OC)=C1 N27009 [0,1,0,0,0,0|2,0,0]=3 151 B13R1.49 COC(=O)C1=CC(OC)=C(Cl)C=C1 N24291 [0,1,0,0,0,0|1,0,0]=2 152 B13R1.49 COC(=O)C1=CC=C(Br)C(C=O)=C1 P43200 [0,1,0,0,0,0|3,0,0]=4 153 B13R1.49 COC(=O)C1=CC=C(Br)C(CBr)=C1 P41318 [0,1,0,0,0,0|3,0,0]=4 154 B13R1.49 COC(=O)C1=CC=C(C)C(C#N)=C1 M15246 [0,1,0,0,0,0|3,0,0]=4 155 B13R1.49 COC(=O)C1=CC=C(Cl)C(CBr)=C1 O32673 [0,1,0,0,0,0|3,0,0]=4 156 B13R1.49 COC(=O)C1=CC=C(F)C(CBr)=C1 O32670 [0,1,0,0,0,0|3,0,0]=4 157 B13R1.49 COC(=O)C1=CC=C(F)C(OC)=C1 Q68270 [0,1,0,0,0,0|1,0,0]=2 158 B13R1.49 COC(=O)C1=CC=C(N)C(C=O)=C1 O29710 [0,1,0,0,0,0|3,0,0]=4 159 B13R1.49 COC(=O)C1=CC=C(O)C(C#N)=C1 O31389 [0,1,0,0,0,0|2,0,0]=3 160 B13R1.49 COC(=O)C1=CN=C(Br)C(OC)=C1 N26443 [0,1,0,0,0,0|2,0,0]=3 161 B13R1.49 COC(=O)C1=CN=C(Cl)C(OC)=C1 N26045 [0,1,0,0,0,0|2,0,0]=3 162 B13R1.49 COC(=O)C1=NC(OC)=C(Br)C=C1 Q53676 [0,1,0,0,0,0|2,0,0]=3 163 B13R1.49 COC(=O)C1=NC(OC)=C(C)C=C1 M15464 [0,1,0,0,0,0|2,0,0]=3 164 B13R1.49 COC(=O)C1=NC=C(Br)C(OC)=C1 L21936 [0,1,0,0,0,0|2,0,0]=3 165 B13R1.50 COC1=C(O)C=CC(B(F)(F)F)=C1 N26741 [0,1,0,0,0,0|3,0,0]=4 166 B13R1.50 COC1=CC(S(C)(=O)=O)=CC=C1Br M15840 [0,1,0,0,0,0|2,0,1]=4 167 B13R1.50 COC1=CC(S(C)(=O)=O)=CC=C1N M15804 [0,1,0,0,0,0|2,0,1]=4 168 B13R1.298 COC1=C(F)C(C)=CC(B(O)O)=C1 N26883 [0,1,0,0,0,0|2,0,1]=4 169 B13R1.298 COC1=C(F)C(F)=CC(B(O)O)=C1 N24839 [0,1,0,0,0,0|2,0,1]=4 170 B13R1.298 COC1=C(F)C(F)=CC(C(=O)O)=C1 N25323 [0,1,0,0,0,0|1,0,0]=2 171 B13R1.298 COC1=C(N)C(Br)=CC([N+](=O)[O-])=C1 O31797 [0,1,0,0,0,0|2,0,1]=4 172 B13R1.298 COC1=CC([N+](=O)[O-])=CC(F)=C1F M23412 [0,1,0,0,0,0|2,0,1]=4 173 B13R1.354 CCOC1=C(Cl)C=CC(B(O)O)=C1 N24544 [0,1,0,0,0,0|2,0,1]=4 174 B13R1.354 CCOC1=CC(B(O)O)=CC=C1C Q66678 [0,1,0,0,0,0|2,0,1]=4 175 B13R1.354 CCOC1=CC(B(O)O)=CC=C1F Q67056 [0,1,0,0,0,0|2,0,1]=4 176 B13R1.354 CCOC1=CC([N+](=O)[O-])=CC=C1Br P38135 [0,1,0,0,0,0|2,0,1]=4 177 B13R1.651 COC1=C(Cl)C=C(N)C(C(=O)O)=C1 O29917 [0,1,0,0,0,0|1,0,0]=2 178 B13R1.651 COC1=C(F)C=C(F)C(B(O)O)=C1 N25380 [0,1,0,0,0,0|2,0,1]=4 179 B13R1.651 COC1=C(F)C=C(F)C(C(=O)O)=C1 N26209 [0,1,0,0,0,0|1,0,0]=2 180 B13R1.651 COC1=C(F)C=C(N)C(C(=O)O)=C1 L21626 [0,1,0,0,0,0|1,0,0]=2 181 B13R1.3091 CCC1=C(C#N)C=CC(C(=O)O)=C1 N27749 [0,1,0,0,0,0|2,0,0]=3 182 B13R1.3091 CCC1=C(CO)C=CC(C(C)=O)=C1 P48493 [0,1,0,0,0,0|2,0,0]=3 183 B13R1.3091 CCC1=C(OC)C=CC(B(O)O)=C1 N26270 [0,1,0,0,0,0|2,0,1]=4 184 B13R1.3091 CCC1=CC(B(O)O)=CC=C1CO O29053 [0,1,0,0,0,0|2,0,1]=4 185 B13R1.3091 COC1=C(C#N)C=CC(B(O)O)=C1 N25205 [0,1,0,0,0,0|2,0,1]=4 186 B13R1.3091 COC1=C(C#N)C=NC(C(=O)O)=C1 Q55232 [0,1,0,0,0,0|2,0,0]=3 187 B13R1.3091 COC1=C(C=O)C=C(C(=O)O)C=C1 N26082 [0,1,0,0,0,0|2,0,0]=3 188 B13R1.3091 COC1=C(C=O)C=CC(B(O)O)=C1 N25204 [0,1,0,0,0,0|1,0,2]=4 189 B13R1.3091 COC1=C(OC)N=C(C(=O)O)C=C1 Q60493 [0,1,0,0,0,0|1,0,0]=2 190 B13R1.3091 COC1=C(SC)C=C(B(O)O)C=C1 N25793 [0,1,0,0,0,0|1,1,1]=4 191 B13R1.3091 COC1=CC(B(O)O)=CN=C1OC N26320 [0,1,0,0,0,0|2,0,1]=4 192 B13R1.3091 COC1=CC(C(=O)O)=CC=C1C#N O29918 [0,1,0,0,0,0|1,0,0]=2 193 B13R1.3091 COC1=CC(C(=O)O)=CC=C1CO H-8084 [0,1,0,0,0,0|0,0,0]=1 194 B13R1.3091 COC1=CC=C(C(=O)O)C=C1SC O29289 [0,1,0,0,0,0|0,1,0]=2 195 B13R1.3091 COC1=CC=C(C(C)N)C=C1OC P37764 [0,1,0,0,0,0|2,0,1]=4 196 B13R1.3230 COC1=C(Cl)C(B(O)O)=CC=C1Cl Q66978 [0,1,0,0,0,0|2,0,1]=4 197 B13R1.3230 COC1=C(Cl)C=CC(B(O)O)=C1F N25112 [0,1,0,0,0,0|2,0,1]=4 198 B13R1.3230 COC1=C(F)C(C(=O)O)=CC=C1Cl Q68365 [0,1,0,0,0,0|1,0,0]=2 199 B13R1.3230 COC1=C(F)C=CC(B(O)O)=C1F N24699 [0,1,0,0,0,0|2,0,1]=4 200 B13R1.3230 CSC1=C(F)C(C(=O)O)=CC=C1Cl Q68501 [0,1,0,0,0,0|1,1,0]=3 201 B13R1.3230 N#CC1=C(Cl)C(C(=O)O)=CC=C1Cl Q68458 [0,1,0,0,0,0|3,0,0]=4 202 B13R1.3230 N#CC1=C(F)C(C(=O)O)=CC=C1F Q68482 [0,1,0,0,0,0|3,0,0]=4 203 B13R2.430 CC(=O)C1=CC2=C(C=C1)NCC2 O32265 [0,0,0,1,0,0|3,0,0]=4 204 B13R2.430 CC(N)C1=CC=C2OCOC2=C1 P42231 [0,0,0,1,0,0|2,0,1]=4 205 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 A-867 [0,0,0,1,0,0|1,1,1]=4 206 B13R2.430 O=C(O)C1=CC2=C(C=N1)OC=C2 A-644 [0,0,0,1,0,0|2,0,1]=4 207 B13R2.430 O=C(O)C1=CC=C2C=COC2=C1 O30618 [0,0,0,1,0,0|1,0,1]=3 208 B13R2.430 O=C(O)C1=CC=C2C=NNC2=C1 C-2016 [0,0,0,1,0,0|3,0,0]=4 209 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 M15519 [0,0,0,1,0,0|1,0,1]=3 210 B13R2.430 O=C(O)C1=CC=C2NN=CC2=C1 C-2008 [0,0,0,1,0,0|3,0,0]=4 211 B13R2.430 O=C(O)C1=CC=C2OC=CC2=N1 Q64340 [0,0,0,1,0,0|2,0,1]=4 212 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 O30694 [0,0,0,1,0,0|1,0,1]=3 213 B13R2.430 O=C(O)C1=CN=C2C=COC2=C1 Q64346 [0,0,0,1,0,0|2,0,1]=4 214 B13R2.430 OB(O)C1=CC=C2CCOC2=C1 Q65566 [0,0,0,1,0,0|2,0,1]=4 215 B13R2.430 OB(O)C1=CC=C2OCCC2=C1 Q66465 [0,0,0,1,0,0|2,0,1]=4 216 B11R1.48 COC1=CC(C(=O)O)=NN1C A-685 [0,0,0,0,1,0|3,0,0]=4 217 B11R1.64 COC1=C(C(=O)O)C=NN1C Q60635 [0,0,0,0,1,0|3,0,0]=4 218 B13R1.52 COC1=CC(CC(=O)O)=CC=C1Br M23032 [0,0,0,0,0,1|1,0,0]=2 219 B13R1.52 COC1=CC(CC(=O)O)=CC=C1O O28989 [0,0,0,0,0,1|0,0,0]=1 220 B10R1.13 CC(O)C1=CC=C(O)C=C1 P39467 [2,0,0,0,0,0|1,0,1]=4 221 B10R1.13 NC(=O)C1=NC=C(O)C=C1 P44353 [2,0,0,0,0,0|2,0,0]=4 222 B10R1.13 NC1=CN=C(C(=O)O)C=C1 E-3036 [2,0,0,0,0,0|2,0,0]=4 223 B10R1.13 NC1=NC=C(C(=O)O)C=C1 C-3709 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.13 O=C(O)C1=CC=C(F)N=C1 E-3040 [2,0,0,0,0,0|2,0,0]=4 225 B10R1.13 O=C(O)C1=CC=C(O)N=N1 C-2295 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.13 O=C(O)C1=CN=C(O)N=C1 O31007 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 G-6770 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.13 O=C(O)C1=NC=C(F)C=C1 P42746 [2,0,0,0,0,0|2,0,0]=4 229 B10R1.13 O=C(O)C1=NC=C(O)C=C1 G-6588 [2,0,0,0,0,0|1,0,0]=3 230 B10R1.113 C=C(C)C1=CC(C)=CC=C1 P42602 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.113 CC(=O)C1=NC=CC(C)=C1 P37184 [2,0,0,0,0,0|2,0,0]=4 232 B10R1.113 CC1=CC(C(=O)O)=CN=N1 P49779 [2,0,0,0,0,0|2,0,0]=4 233 B10R1.113 CC1=CC(C(=O)O)=NN=C1 L14505 [2,0,0,0,0,0|2,0,0]=4 234 B10R1.113 CC1=CN=CC(C(=O)O)=C1 I-9162 [2,0,0,0,0,0|1,0,0]=3 235 B10R1.113 CC1=CN=CC(C(=O)O)=N1 G-6898 [2,0,0,0,0,0|2,0,0]=4 236 B10R1.113 CC1=NC(C(=O)O)=NC=C1 L14301 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.113 CC1=NC=NC(C(=O)O)=C1 I-9646 [2,0,0,0,0,0|2,0,0]=4 238 B10R1.113 C[N+]1=CC=CC(C(=O)O)=C1 P51219 [2,0,0,0,0,0|1,0,0]=3 239 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 P37042 [2,0,0,0,0,0|2,0,0]=4 240 B10R1.113 NC1=NC=CC(C(=O)O)=C1 G-6760 [2,0,0,0,0,0|2,0,0]=4 241 B10R1.113 O=C(O)C1=CC(F)=CN=C1 C-3613 [2,0,0,0,0,0|2,0,0]=4 242 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 L13496 [2,0,0,0,0,0|2,0,0]=4 243 B10R1.113 O=C(O)C1=CC=CC(S)=N1 Q58206 [2,0,0,0,0,0|1,1,0]=4 244 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 G-6839 [2,0,0,0,0,0|2,0,0]=4 245 B10R1.113 O=C(O)C1=CN=CC(O)=C1 G-7172 [2,0,0,0,0,0|1,0,0]=3 246 B10R1.113 O=C(O)C1=NC(O)=NC=C1 O30222 [2,0,0,0,0,0|2,0,0]=4 247 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 B-1209 [2,0,0,0,0,0|2,0,0]=4 248 B10R1.113 O=C(O)C1=NC=CC(F)=C1 O30336 [2,0,0,0,0,0|2,0,0]=4 249 B10R1.113 O=C(O)C1=NC=CC(I)=C1 G-6705 [2,0,0,0,0,0|2,0,0]=4 250 B10R1.176 CC1=C(Br)N=CC(C=O)=C1 N24668 [2,0,0,0,0,0|2,0,0]=4 251 B10R1.176 CC1=C(C)N=CC(C=O)=C1 Q67397 [2,0,0,0,0,0|2,0,0]=4 252 B10R1.176 CC1=C(Cl)C=CC(CO)=C1 N25889 [2,0,0,0,0,0|1,0,1]=4 253 B10R1.176 CC1=C(Cl)N=CC(C=O)=C1 Q66671 [2,0,0,0,0,0|2,0,0]=4 254 B10R1.176 CC1=C(F)C=CC(C=O)=N1 L14295 [2,0,0,0,0,0|2,0,0]=4 255 B10R1.176 CC1=C(F)N=CC(C=O)=C1 O30685 [2,0,0,0,0,0|2,0,0]=4 256 B10R1.176 CC1=C(O)C=C(C=O)C=C1 N25292 [2,0,0,0,0,0|1,0,0]=3 257 B10R1.176 CC1=CC(C=O)=CC=C1Br K13407 [2,0,0,0,0,0|1,0,0]=3 258 B10R1.176 CC1=CC(C=O)=CC=C1Cl Q67363 [2,0,0,0,0,0|1,0,0]=3 259 B10R1.176 CC1=CC(C=O)=CC=C1O Q68150 [2,0,0,0,0,0|0,0,0]=2 260 B10R1.176 CC1=CC(C=O)=CN=C1O Q60238 [2,0,0,0,0,0|1,0,0]=3 261 B10R1.176 CC1=CC(C=O)=NC=C1Br N24978 [2,0,0,0,0,0|2,0,0]=4 262 B10R1.176 CC1=CC(C=O)=NC=C1Cl N25470 [2,0,0,0,0,0|2,0,0]=4 263 B10R1.176 CC1=CC(CO)=CC=C1Br N24431 [2,0,0,0,0,0|1,0,1]=4 264 B10R1.176 CC1=CC=C(C=O)C=C1Br Q67254 [2,0,0,0,0,0|2,0,0]=4 265 B10R1.176 CC1=CC=C(C=O)C=C1Cl Q67635 [2,0,0,0,0,0|2,0,0]=4 266 B10R1.176 CC1=CC=C(C=O)N=C1C Q60347 [2,0,0,0,0,0|2,0,0]=4 267 B10R1.176 CC1=NC(C=O)=CC=C1Br N24846 [2,0,0,0,0,0|2,0,0]=4 268 B10R1.176 CN1C=C(C=O)C=CC1=O S72506 [2,0,0,0,0,0|1,0,1]=4 269 B10R1.176 COC1=CC=C(O)C(C)=C1 Q67705 [2,0,0,0,0,0|2,0,0]=4 270 B10R1.176 CSC1=CC=C(O)C(C)=C1 N24608 [2,0,0,0,0,0|2,0,0]=4 271 B10R1.176 O=CC1=CC=C(F)C(O)=C1 Q67727 [2,0,0,0,0,0|1,0,0]=3 272 B10R1.176 OCC1=CC(O)=C(F)C=C1 N25036 [2,0,0,0,0,0|1,0,1]=4 273 B10R1.176 OCC1=CC=C(Cl)C(O)=C1 N25640 [2,0,0,0,0,0|1,0,1]=4 274 B10R1.176 OCC1=CC=C(O)C(Br)=C1 Q68849 [2,0,0,0,0,0|1,0,1]=4 275 B10R1.172 C#CC1=CC(C=O)=CC=C1 O27970 [2,0,0,0,0,0|1,0,1]=4 276 B10R1.172 C=CC1=NC(OC)=CC=C1 Q65665 [2,0,0,0,0,0|2,0,0]=4 277 B10R1.172 CCC1=CC(C=O)=CC=C1 Q67834 [2,0,0,0,0,0|1,0,0]=3 278 B10R1.172 CCC1=CC=CC(CO)=C1 N25577 [2,0,0,0,0,0|1,0,1]=4 279 B10R1.172 CCC1=NC(C=O)=CC=C1 Q60374 [2,0,0,0,0,0|2,0,0]=4 280 B10R1.172 COC1=CC(C=O)=NC=C1 O30611 [2,0,0,0,0,0|1,0,0]=3 281 B10R1.172 COC1=CC=CC(C=O)=N1 Q67244 [2,0,0,0,0,0|1,0,0]=3 282 B10R1.172 COC1=CN=CC(C=O)=C1 G-6116 [2,0,0,0,0,0|1,0,0]=3 283 B10R1.172 COC1=CN=CC(CO)=C1 N24537 [2,0,0,0,0,0|1,0,1]=4 284 B10R1.172 COC1=NC=CC(C=O)=C1 G-5573 [2,0,0,0,0,0|1,0,0]=3 285 B10R1.172 COC1=NC=CC(CO)=C1 C-3669 [2,0,0,0,0,0|1,0,1]=4 286 B10R1.172 O=CC1=CC=CC(CO)=C1 O34201 [2,0,0,0,0,0|2,0,0]=4 287 B10R1.30 CCC1=C(O)C=CC(Br)=C1 N24526 [2,0,0,0,0,0|2,0,0]=4 288 B10R1.30 COC1=C(C)C=CC(O)=C1 N24341 [2,0,0,0,0,0|1,0,0]=3 289 B10R1.30 COC1=C(Cl)C=CC(O)=C1 N24761 [2,0,0,0,0,0|1,0,0]=3 290 B10R1.30 COC1=C(Cl)N=CC(O)=C1 I-9680 [2,0,0,0,0,0|2,0,0]=4 291 B10R1.30 COC1=CC(Br)=CC=C1I Q67115 [2,0,0,0,0,0|2,0,0]=4 292 B10R1.30 COC1=CC(C)=CC=C1Br Q66623 [2,0,0,0,0,0|1,0,1]=4 293 B10R1.30 COC1=CC(Cl)=CC=C1N O30871 [2,0,0,0,0,0|2,0,0]=4 294 B10R1.30 COC1=CC(F)=CC=C1I N24671 [2,0,0,0,0,0|2,0,0]=4 295 B10R1.30 COC1=CC(F)=CC=C1N Q65477 [2,0,0,0,0,0|2,0,0]=4 296 B10R1.30 COC1=CC(O)=CC=C1Br Q67374 [2,0,0,0,0,0|1,0,0]=3 297 B10R1.30 COC1=CC(O)=CN=C1Br N26421 [2,0,0,0,0,0|2,0,0]=4 298 B10R1.30 COC1=CC(O)=CN=C1F N25711 [2,0,0,0,0,0|2,0,0]=4 299 B10R1.30 COC1=NC(I)=CC=C1O L20850 [2,0,0,0,0,0|2,0,0]=4 300 B12R1.48 CC1=C(C=O)C=CC(C(=O)O)=C1 N24734 [1,1,0,0,0,0|0,0,1]=3 301 B12R1.48 CC1=CC(B(O)O)=CC=C1CO Q66686 [1,1,0,0,0,0|1,0,1]=4 302 B12R1.48 CC1=CC([N+](=O)[O-])=CC=C1CO P39598 [1,1,0,0,0,0|1,0,1]=4 303 B12R1.48 CCC1=CN=C(C(=O)O)C=C1C S72490 [1,1,0,0,0,0|2,0,0]=4 304 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 P44401 [1,1,0,0,0,0|2,0,0]=4 305 B12R1.48 COC1=C(Br)N=C(C(=O)O)C=C1 A-739 [1,1,0,0,0,0|2,0,0]=4 306 B12R1.48 COC1=C(F)C=C(C(=O)O)C=N1 S72635 [1,1,0,0,0,0|2,0,0]=4 307 B12R1.48 COC1=C(O)C=C(B(O)O)C=C1 N26398 [1,1,0,0,0,0|1,0,1]=4 308 B12R1.48 COC1=C(O)C=C(C(=O)O)C=N1 Q60788 [1,1,0,0,0,0|1,0,0]=3 309 B12R1.48 COC1=CC=C(C(C)=O)C=C1C Q67903 [1,1,0,0,0,0|1,0,0]=3 310 B12R1.48 COC1=CN=C(C(=O)O)C=C1Cl L21805 [1,1,0,0,0,0|2,0,0]=4 311 B12R1.48 COC1=NC=C(C(=O)O)C=C1C N26013 [1,1,0,0,0,0|1,0,0]=3 312 B12R1.48 CSC1=C(Cl)C=C(C(=O)O)C=C1 N25372 [1,1,0,0,0,0|1,1,0]=4 313 B12R1.48 CSC1=NC=C(C(=O)O)C=C1C N25880 [1,1,0,0,0,0|1,1,0]=4 314 B12R1.48 NCC1=CC=C(C(=O)O)C=C1Cl P40738 [1,1,0,0,0,0|2,0,0]=4 315 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 N26294 [1,1,0,0,0,0|1,0,1]=4 316 B12R1.48 O=CC1=CC=C(C(=O)O)C=C1O P37037 [1,1,0,0,0,0|0,0,1]=3 317 B12R1.232 CC(=O)C1=CC(C)=C(C)C=C1O Q65601 [1,1,0,0,0,0|2,0,0]=4 318 B12R1.232 CC1=C(Br)C=C(C(=O)O)C(F)=C1 N24864 [1,1,0,0,0,0|2,0,0]=4 319 B12R1.232 CC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 N26358 [1,1,0,0,0,0|1,0,0]=3 320 B12R1.232 CC1=C(Cl)C=C(F)C(C(=O)O)=C1 N26027 [1,1,0,0,0,0|1,0,0]=3 321 B12R1.232 CC1=C(N)C=C(C(=O)O)C(Br)=C1 O34469 [1,1,0,0,0,0|2,0,0]=4 322 B12R1.232 CC1=CC(Br)=C(Cl)C=C1C(=O)O N25847 [1,1,0,0,0,0|2,0,0]=4 323 B12R1.232 CC1=CC(Br)=C(F)C=C1C(=O)O Q68706 [1,1,0,0,0,0|2,0,0]=4 324 B12R1.232 CC1=CC(C(=O)O)=C(C)C=C1Br N24915 [1,1,0,0,0,0|1,0,0]=3 325 B12R1.232 CC1=CC(C(=O)O)=C(O)N=C1C Q60518 [1,1,0,0,0,0|2,0,0]=4 326 B12R1.232 CC1=CC(C)=C(Br)C=C1C(=O)O O34019 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.232 CC1=CC(F)=C(Br)C=C1C(=O)O O29561 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.232 NC1=CC(Br)=C(Cl)C=C1C(=O)O K16111 [1,1,0,0,0,0|2,0,0]=4 329 B12R1.232 NC1=CC(Cl)=C(Br)C=C1C(=O)O H-8923 [1,1,0,0,0,0|2,0,0]=4 330 B12R1.232 NC1=CC(F)=C(C(=O)O)C=C1N H-8817 [1,1,0,0,0,0|2,0,0]=4 331 B12R1.232 O=C(O)C1=C(F)C=C(F)C(Br)=C1 N24640 [1,1,0,0,0,0|2,0,0]=4 332 B12R1.232 O=C(O)C1=CC(Br)=C(F)C=C1Cl O29098 [1,1,0,0,0,0|2,0,0]=4 333 B12R1.232 O=C(O)C1=CC(F)=C(Br)C=C1Br N26034 [1,1,0,0,0,0|2,0,0]=4 334 B12R1.232 O=C(O)C1=CC(F)=C(Br)C=C1F P39072 [1,1,0,0,0,0|2,0,0]=4 335 B12R1.232 O=C(O)C1=CC(F)=C(O)C=C1F N25280 [1,1,0,0,0,0|1,0,0]=3 336 B12R1.367 COC(=O)C1=CC(C)=C(O)C=N1 Q55500 [1,1,0,0,0,0|1,0,0]=3 337 B12R1.367 COC(=O)C1=CC(S)=C(N)C=C1 A-872 [1,1,0,0,0,0|1,1,0]=4 338 B12R1.367 COC(=O)C1=CC=C(Br)C(C)=N1 N24924 [1,1,0,0,0,0|2,0,0]=4 339 B12R1.367 COC(=O)C1=CC=C(Br)C(Cl)=C1 Q68563 [1,1,0,0,0,0|2,0,0]=4 340 B12R1.367 COC(=O)C1=CC=C(C)C(F)=C1 Q68321 [1,1,0,0,0,0|2,0,0]=4 341 B12R1.367 COC(=O)C1=CC=C(C)C(O)=C1 Q67777 [1,1,0,0,0,0|1,0,0]=3 342 B12R1.367 COC(=O)C1=CC=C(Cl)C(Br)=C1 Q68119 [1,1,0,0,0,0|2,0,0]=4 343 B12R1.367 COC(=O)C1=CC=C(Cl)C(F)=C1 Q67920 [1,1,0,0,0,0|2,0,0]=4 344 B12R1.367 COC(=O)C1=CC=C(F)C(Br)=C1 P35910 [1,1,0,0,0,0|2,0,0]=4 345 B12R1.367 COC(=O)C1=CC=C(I)C(Br)=C1 P39374 [1,1,0,0,0,0|2,0,0]=4 346 B12R1.367 COC(=O)C1=CC=C(I)C(O)=C1 O31949 [1,1,0,0,0,0|1,0,0]=3 347 B12R1.367 COC(=O)C1=CC=C(O)C(C)=C1 O32280 [1,1,0,0,0,0|0,0,0]=2 348 B12R1.367 COC(=O)C1=CC=C(O)C(O)=N1 G-5826 [1,1,0,0,0,0|1,0,0]=3 349 B12R1.367 COC(=O)C1=CC=C(S)C(N)=C1 H-8775 [1,1,0,0,0,0|1,1,0]=4 350 B12R1.367 COC(=O)C1=CC=C(S)C(N)=C1 K16122 [1,1,0,0,0,0|1,1,0]=4 351 B12R1.367 COC(=O)C1=CN(C)C(=O)C=C1 C-3708 [1,1,0,0,0,0|1,0,1]=4 352 B12R1.367 COC(=O)C1=CN=C(C)C(C)=C1 Q68803 [1,1,0,0,0,0|2,0,0]=4 353 B12R1.367 COC(=O)C1=CN=C(Cl)C(C)=C1 N25901 [1,1,0,0,0,0|2,0,0]=4 354 B12R1.367 COC(=O)C1=CN=C(F)C(C)=C1 N24133 [1,1,0,0,0,0|2,0,0]=4 355 B12R1.367 COC(=O)C1=CN=C(I)C(O)=C1 P44343 [1,1,0,0,0,0|2,0,0]=4 356 B12R1.367 COC(=O)C1=CN=C(N)C(O)=C1 Q53133 [1,1,0,0,0,0|2,0,0]=4 357 B12R1.367 COC(=O)C1=CN=C(O)C(O)=C1 G-7788 [1,1,0,0,0,0|1,0,0]=3 358 B12R1.367 COC(=O)C1=CNC(=O)C(C)=C1 Q54997 [1,1,0,0,0,0|1,0,1]=4 359 B12R1.367 COC(=O)C1=NC(C)=C(C)C=C1 Q52559 [1,1,0,0,0,0|2,0,0]=4 360 B12R1.367 COC(=O)C1=NC(C)=C(F)C=C1 L14114 [1,1,0,0,0,0|2,0,0]=4 361 B12R1.367 COC(=O)C1=NC(C)=C(N)C=C1 F-4330 [1,1,0,0,0,0|2,0,0]=4 362 B12R1.367 COC(=O)C1=NC(O)=C(C)C=C1 M15463 [1,1,0,0,0,0|2,0,0]=4 363 B12R1.367 COC(=O)C1=NC=C(Br)C(C)=C1 N24813 [1,1,0,0,0,0|2,0,0]=4 364 B12R1.367 COC(=O)C1=NC=C(N)C(C)=C1 G-6494 [1,1,0,0,0,0|2,0,0]=4 365 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 G-5827 [1,1,0,0,0,0|1,0,0]=3 366 B12R1.893 CC1=C(C(=O)O)C=CC(Br)=C1Cl N26904 [1,1,0,0,0,0|2,0,0]=4 367 B12R1.893 CC1=C(C)C(C(=O)O)=CC=C1Br Q68239 [1,1,0,0,0,0|1,0,0]=3 368 B12R1.893 CC1=C(Cl)C(C)=C(C(=O)O)C=C1 N27468 [1,1,0,0,0,0|2,0,0]=4 369 B12R1.893 CC1=C(Cl)C(Cl)=C(C(=O)O)C=C1 N26009 [1,1,0,0,0,0|2,0,0]=4 370 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1C N26199 [1,1,0,0,0,0|1,0,0]=3 371 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1F N27139 [1,1,0,0,0,0|1,0,0]=3 372 B12R1.893 CC1=C(F)C(C(=O)O)=CC=C1Br M15788 [1,1,0,0,0,0|1,0,0]=3 373 B12R1.893 CC1=C(F)C(C(=O)O)=CC=C1F Q68366 [1,1,0,0,0,0|1,0,0]=3 374 B12R1.893 CC1=C(F)C(Cl)=CC=C1C(=O)O Q68516 [1,1,0,0,0,0|2,0,0]=4 375 B12R1.893 CC1=C(F)C(F)=CC=C1C(=O)O Q68145 [1,1,0,0,0,0|2,0,0]=4 376 B12R1.893 CC1=CC=C(C(=O)O)C(C)=C1F O29103 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.893 CN1C(=O)C=CC(C(=O)O)=C1Cl Q53132 [1,1,0,0,0,0|1,0,1]=4 378 B12R1.893 NC1=C(C(=O)O)C=CC(Br)=C1F L14645 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(Br)C=C1 N26329 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.893 O=C(O)C1=C(Cl)C(F)=C(F)C=C1 N25497 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(Br)C=C1 N24966 [1,1,0,0,0,0|2,0,0]=4 382 B12R1.893 O=C(O)C1=CC=C(Br)C(F)=C1Cl Q69535 [1,1,0,0,0,0|2,0,0]=4 383 B12R1.893 O=C(O)C1=CC=C(Br)C(F)=C1F Q68384 [1,1,0,0,0,0|2,0,0]=4 384 B12R1.893 O=C(O)C1=CC=C(Br)C(I)=C1F N26582 [1,1,0,0,0,0|2,0,0]=4 385 B12R1.893 O=C(O)C1=CC=C(Cl)C(Cl)=C1F Q68659 [1,1,0,0,0,0|2,0,0]=4 386 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1Cl Q68315 [1,1,0,0,0,0|2,0,0]=4 387 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1F Q68361 [1,1,0,0,0,0|2,0,0]=4 388 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1O Q68475 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.893 O=C(O)C1=CC=C(F)C(F)=C1O Q67575 [1,1,0,0,0,0|2,0,0]=4 390 B12R1.893 O=C(O)C1=CC=C(O)C(F)=C1F K13413 [1,1,0,0,0,0|1,0,0]=3 391 B12R1.1005 CC(=O)C1=CC(O)=C(F)C(Br)=C1 Q68544 [1,1,0,0,0,0|2,0,0]=4 392 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1Br Q68126 [1,1,0,0,0,0|2,0,0]=4 393 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1F Q68269 [1,1,0,0,0,0|2,0,0]=4 394 B12R1.1005 CC1=CC(B(O)O)=CC(C)=C1O N24425 [1,1,0,0,0,0|1,0,1]=4 395 B12R1.1005 CC1=CC(C(=O)O)=CC(=O)N1C S72603 [1,1,0,0,0,0|2,0,0]=4 396 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1Br N24980 [1,1,0,0,0,0|1,0,0]=3 397 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1Cl N24535 [1,1,0,0,0,0|1,0,0]=3 398 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1F Q67678 [1,1,0,0,0,0|1,0,0]=3 399 B12R1.1005 CC1=CC(C(=O)O)=CN(C)C1=O Q60683 [1,1,0,0,0,0|1,0,1]=4 400 B12R1.1005 CN1C=C(C(=O)O)C=C(Cl)C1=O Q60643 [1,1,0,0,0,0|1,0,1]=4 401 B12R1.1005 NC1=C(Cl)C(Cl)=CC(C(=O)O)=C1 L20638 [1,1,0,0,0,0|2,0,0]=4 402 B12R1.1005 O=C(O)C1=CC(Cl)=C(Br)C(Cl)=C1 N25181 [1,1,0,0,0,0|2,0,0]=4 403 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1 Q68663 [1,1,0,0,0,0|2,0,0]=4 404 B12R1.1005 O=C(O)C1=CC(Cl)=C(I)C(Cl)=C1 N25180 [1,1,0,0,0,0|2,0,0]=4 405 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(F)=C1 N26409 [1,1,0,0,0,0|1,0,0]=3 406 B12R1.1005 O=C(O)C1=CC(F)=C(Cl)C(Br)=C1 Q68593 [1,1,0,0,0,0|2,0,0]=4 407 B12R1.1005 O=C(O)C1=CC(F)=C(Cl)C(F)=C1 Q67975 [1,1,0,0,0,0|2,0,0]=4 408 B12R1.1005 O=C(O)C1=CC(I)=C(O)C(I)=C1 P37039 [1,1,0,0,0,0|1,0,0]=3 409 B12R1.11 CC1=CC(C(=O)O)=CC(C=O)=C1 N26053 [1,1,0,0,0,0|2,0,0]=4 410 B12R1.11 CCC1=NC(C)=CC(C(=O)O)=C1 Q60516 [1,1,0,0,0,0|2,0,0]=4 411 B12R1.11 COC1=CC(Br)=CC(B(O)O)=C1 Q66791 [1,1,0,0,0,0|1,0,1]=4 412 B12R1.11 COC1=CC(Br)=CC(C(=O)O)=C1 Q67560 [1,1,0,0,0,0|0,0,0]=2 413 B12R1.11 COC1=CC(C(=O)O)=CC(C)=C1 O32298 [1,1,0,0,0,0|0,0,0]=2 414 B12R1.11 COC1=CC(C)=CC(B(O)O)=C1 N25354 [1,1,0,0,0,0|1,0,1]=4 415 B12R1.11 COC1=CC(Cl)=CC(B(O)O)=C1 Q66426 [1,1,0,0,0,0|1,0,1]=4 416 B12R1.11 COC1=CC(Cl)=CC(C(=O)O)=C1 Q68383 [1,1,0,0,0,0|0,0,0]=2 417 B12R1.11 COC1=CC(F)=CC(B(O)O)=C1 Q66322 [1,1,0,0,0,0|1,0,1]=4 418 B12R1.11 COC1=CC(F)=CC(C(=O)O)=C1 Q67863 [1,1,0,0,0,0|0,0,0]=2 419 B12R1.11 COC1=CC(O)=CC(B(O)O)=C1 Q68488 [1,1,0,0,0,0|1,0,1]=4 420 B12R1.11 CSC1=CC(Br)=CC(C(=O)O)=C1 N27198 [1,1,0,0,0,0|0,1,0]=3 421 B12R1.11 CSC1=CC(Cl)=CC(C(=O)O)=C1 N27199 [1,1,0,0,0,0|0,1,0]=3 422 B12R1.11 CSC1=CC(F)=CC(C(=O)O)=C1 N25480 [1,1,0,0,0,0|0,1,0]=3 423 B12R1.11 O=CC1=CC(Br)=CC(C(=O)O)=C1 N24988 [1,1,0,0,0,0|2,0,0]=4 424 B12R1.258 CC(C)C1=CC(C(=O)O)=CN=C1 Q60756 [1,1,0,0,0,0|2,0,0]=4 425 B12R1.258 CC(C)C1=NC(C(=O)O)=CC=C1 C-3365 [1,1,0,0,0,0|2,0,0]=4 426 B12R1.258 CC(C)C1=NC=CC(C(=O)O)=C1 Q60619 [1,1,0,0,0,0|2,0,0]=4 427 B12R1.258 CN(C)C1=CC=CC(C(=O)O)=N1 P38912 [1,1,0,0,0,0|2,0,0]=4 428 B12R1.258 CN(C)C1=CN=CC(C(=O)O)=C1 Q60525 [1,1,0,0,0,0|2,0,0]=4 429 B12R1.258 NC(=O)C1=CC(C(=O)O)=CC=C1 P38037 [1,1,0,0,0,0|2,0,0]=4 430 B12R1.279 CCOC1=CC(C(=O)O)=NC=C1 Q60806 [1,1,0,0,0,0|1,0,0]=3 431 B12R1.279 CCOC1=CN=CC(C(=O)O)=C1 N26062 [1,1,0,0,0,0|1,0,0]=3 432 B12R1.279 CCOC1=NC=CC(C(=O)O)=C1 Q67292 [1,1,0,0,0,0|1,0,0]=3 433 B12R1.279 CCOC1=NC=CC(C(=O)O)=N1 Q60851 [1,1,0,0,0,0|2,0,0]=4 434 B12R1.279 CCOC1=NC=NC(C(=O)O)=C1 Q60847 [1,1,0,0,0,0|2,0,0]=4 435 B12R1.279 CNCC1=CC(C(N)=O)=CC=C1 P34823 [1,1,0,0,0,0|2,0,0]=4 436 B12R1.279 COCC1=CC(B(O)O)=CC=C1 Q66515 [1,1,0,0,0,0|1,0,1]=4 437 B12R1.279 COCC1=CC(C(=O)O)=CC=C1 P38831 [1,1,0,0,0,0|0,0,0]=2 438 B12R1.279 NCCC1=CC(C(=O)O)=CC=C1 P36745 [1,1,0,0,0,0|1,0,0]=3 439 B12R1.279 O=C(O)C1=CC=CC(CCO)=C1 O31031 [1,1,0,0,0,0|1,0,0]=3 440 B12R1.279 O=C(O)C1=NC=CC(CCO)=C1 Q60880 [1,1,0,0,0,0|2,0,0]=4 441 B12R1.435 C#CC1=CC(C(=O)OC)=CC=C1 O27992 [1,1,0,0,0,0|1,0,1]=4 442 B12R1.435 CCC1=CC(C(=O)OC)=CC=C1 O29108 [1,1,0,0,0,0|1,0,0]=3 443 B12R1.435 COC(=O)C1=CC(OC)=CN=C1 N24812 [1,1,0,0,0,0|1,0,0]=3 444 B12R1.435 COC(=O)C1=CC(OC)=NC=C1 Q67738 [1,1,0,0,0,0|1,0,0]=3 445 B12R1.435 COC(=O)C1=NC(OC)=CC=C1 Q67562 [1,1,0,0,0,0|1,0,0]=3 446 B12R1.435 COC1=CC(C(=O)CBr)=NC=C1 O29941 [1,1,0,0,0,0|2,0,0]=4 447 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 P39449 [1,1,0,0,0,0|1,0,0]=3 448 B12R1.435 COC1=CC(C(N)CO)=CC=C1 P38813 [1,1,0,0,0,0|1,0,1]=4 449 B12R1.435 COC1=CC(C(O)CN)=CC=C1 P39138 [1,1,0,0,0,0|1,0,1]=4 450 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 P36199 [1,1,0,0,0,0|1,0,1]=4 451 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 P42270 [1,1,0,0,0,0|1,0,1]=4 452 B12R1.435 COC1=CC=CC(C(=O)CCl)=N1 O31071 [1,1,0,0,0,0|2,0,0]=4 453 B12R1.435 COC1=CC=CC(C(=O)NN)=N1 O30144 [1,1,0,0,0,0|2,0,0]=4 454 B12R1.435 COC1=CC=CC(\C(N)=N\O)=N1 Q69431 [1,1,0,0,0,0|2,0,0]=4 455 B12R1.440 CC1=C(C(=O)O)C=CC=C1C=O N26189 [1,1,0,0,0,0|2,0,0]=4 456 B12R1.440 COC1=C(C)C(C(=O)O)=CC=N1 Q60750 [1,1,0,0,0,0|1,0,0]=3 457 B12R1.440 COC1=C(Cl)C(C(=O)O)=CC=C1 Q66689 [1,1,0,0,0,0|0,0,0]=2 458 B12R1.440 COC1=C(Cl)C(C(=O)O)=NC=C1 Q60578 [1,1,0,0,0,0|1,0,0]=3 459 B12R1.440 COC1=C(F)C(C(=O)O)=CC=C1 Q67065 [1,1,0,0,0,0|0,0,0]=2 460 B12R1.440 COC1=C(N)C(C(=O)O)=CC=C1 G-7024 [1,1,0,0,0,0|0,0,0]=2 461 B12R1.440 COC1=C(O)C(C(C)=O)=CC=C1 G-7111 [1,1,0,0,0,0|1,0,0]=3 462 B12R1.440 COC1=CC=CC(B(O)O)=C1C N25878 [1,1,0,0,0,0|1,0,1]=4 463 B12R1.440 COC1=CC=CC(B(O)O)=C1Cl N25352 [1,1,0,0,0,0|1,0,1]=4 464 B12R1.440 COC1=CC=CC([N+](=O)[O-])=C1N P51314 [1,1,0,0,0,0|1,0,1]=4 465 B12R1.440 COC1=CC=NC(C(=O)O)=C1C Q60517 [1,1,0,0,0,0|1,0,0]=3 466 B12R1.440 COC1=CC=NC(C(=O)O)=C1O Q60603 [1,1,0,0,0,0|1,0,0]=3 467 B12R1.440 COC1=CN=CC(C(=O)O)=C1C N26253 [1,1,0,0,0,0|1,0,0]=3 468 B12R1.440 COC1=NC=CC(C(=O)O)=C1Cl N26058 [1,1,0,0,0,0|1,0,0]=3 469 B12R1.440 COC1=NC=CC(C(=O)O)=C1N Q69141 [1,1,0,0,0,0|1,0,0]=3 470 B12R1.440 CSC1=CC=CC(C(=O)O)=C1F N25002 [1,1,0,0,0,0|0,1,0]=3 471 B12R1.440 CSC1=CN=CC(C(=O)O)=C1C Q68479 [1,1,0,0,0,0|1,1,0]=4 472 B12R1.440 O=C(O)C1=C(Cl)C(CBr)=CC=C1 F-4193 [1,1,0,0,0,0|2,0,0]=4 473 B12R1.440 O=CC1=C(Br)C(C(=O)O)=CC=C1 P43469 [1,1,0,0,0,0|2,0,0]=4 474 B12R1.440 O=CC1=CC=CC(C(=O)O)=C1F N26299 [1,1,0,0,0,0|2,0,0]=4 475 B12R1.453 CC1=CC=C(C=O)C=C1C(=O)O N24954 [1,1,0,0,0,0|2,0,0]=4 476 B12R1.453 CCC1=CC(C(=O)O)=C(C)N=C1 Q60747 [1,1,0,0,0,0|2,0,0]=4 477 B12R1.453 CCC1=CC=C(Br)C(C(=O)O)=C1 O32076 [1,1,0,0,0,0|1,0,0]=3 478 B12R1.453 CCC1=CC=C(F)C(C(=O)O)=C1 O29092 [1,1,0,0,0,0|1,0,0]=3 479 B12R1.453 CCC1=CC=C(I)C(C(=O)O)=C1 O29417 [1,1,0,0,0,0|1,0,0]=3 480 B12R1.453 COC1=CC(C(=O)O)=C(Br)C=N1 Q66949 [1,1,0,0,0,0|1,0,0]=3 481 B12R1.453 COC1=CC(C(=O)O)=C(C)N=C1 Q60882 [1,1,0,0,0,0|1,0,0]=3 482 B12R1.453 COC1=CC(C(=O)O)=C(Cl)N=C1 G-7393 [1,1,0,0,0,0|1,0,0]=3 483 B12R1.453 COC1=CC=C(Br)C(B(O)O)=C1 Q66803 [1,1,0,0,0,0|1,0,1]=4 484 B12R1.453 COC1=CC=C(C)C(B(O)O)=C1 N25200 [1,1,0,0,0,0|1,0,1]=4 485 B12R1.453 COC1=CC=C(C)C(C(=O)O)=C1 Q66691 [1,1,0,0,0,0|0,0,0]=2 486 B12R1.453 COC1=CC=C(Cl)C(B(O)O)=C1 Q66427 [1,1,0,0,0,0|1,0,1]=4 487 B12R1.453 COC1=CC=C(Cl)C(C(=O)O)=C1 Q66692 [1,1,0,0,0,0|0,0,0]=2 488 B12R1.453 COC1=CC=C(F)C(C(=O)O)=C1 Q67721 [1,1,0,0,0,0|0,0,0]=2 489 B12R1.453 COC1=CC=C(F)C(C(C)=O)=C1 Q69718 [1,1,0,0,0,0|1,0,0]=3 490 B12R1.453 COC1=CC=C(O)C(B(O)O)=C1 Q67261 [1,1,0,0,0,0|1,0,1]=4 491 B12R1.453 COC1=CN=C(F)C(C(=O)O)=C1 N26085 [1,1,0,0,0,0|1,0,0]=3 492 B12R1.453 COC1=CN=C(O)C(C(C)=O)=C1 Q62403 [1,1,0,0,0,0|2,0,0]=4 493 B12R1.453 COC1=NC=C(Cl)C(C(=O)O)=C1 Q67209 [1,1,0,0,0,0|1,0,0]=3 494 B12R1.453 COC1=NC=C(N)C(C(=O)O)=C1 O33527 [1,1,0,0,0,0|1,0,0]=3 495 B12R1.453 CSC1=CC=C(F)C(C(=O)O)=C1 N25477 [1,1,0,0,0,0|0,1,0]=3 496 B12R1.453 NCC1=CC=C(Cl)C(C(=O)O)=C1 P35249 [1,1,0,0,0,0|2,0,0]=4 497 B12R1.453 O=C(O)C1=CC(CO)=CC=C1Br P42410 [1,1,0,0,0,0|2,0,0]=4 498 B12R1.453 O=CC1=CC(C(=O)O)=C(F)C=C1 N24848 [1,1,0,0,0,0|2,0,0]=4 499 B12R1.453 O=CC1=CC=C(Br)C(C(=O)O)=C1 P43470 [1,1,0,0,0,0|2,0,0]=4 500 B12R1.453 O=CC1=CC=C(Cl)C(C(=O)O)=C1 Q68578 [1,1,0,0,0,0|2,0,0]=4 501 B12R1.78 C#CC1=CC=C(OC)C(OC)=C1 P38107 [1,1,0,0,0,0|1,0,1]=4 502 B12R1.78 CCC1=C(C#N)C=CC(C=O)=C1 N27703 [1,1,0,0,0,0|2,0,0]=4 503 B12R1.78 COC1=C(C#N)C=CC(C=O)=C1 N25709 [1,1,0,0,0,0|1,0,0]=3 504 B12R1.78 COC1=C(CN)C=C(C=O)C=C1 L21072 [1,1,0,0,0,0|2,0,0]=4 505 B12R1.78 COC1=C(OC)N=C(C=O)C=C1 Q60225 [1,1,0,0,0,0|1,0,0]=3 506 B12R1.78 COC1=CC(C=O)=CN=C1OC Q68344 [1,1,0,0,0,0|1,0,0]=3 507 B12R1.270 CCOC1=C(C)C=CC(C=O)=C1 N25935 [1,1,0,0,0,0|1,0,0]=3 508 B12R1.270 CCOC1=C(F)C=CC(C=O)=C1 N25433 [1,1,0,0,0,0|1,0,0]=3 509 B12R1.300 COC1=C(F)C(C)=CC(C=O)=C1 N27419 [1,1,0,0,0,0|1,0,0]=3 510 B12R1.300 COC1=C(F)C(F)=CC(C=O)=C1 Q68418 [1,1,0,0,0,0|1,0,0]=3 511 B12R1.300 COC1=CC(C#N)=CC(C)=C1O C-3738 [1,1,0,0,0,0|1,0,1]=4 512 B12R1.300 COC1=CC(CO)=CC(F)=C1F Q68419 [1,1,0,0,0,0|1,0,1]=4 513 B12R1.300 COC1=CC(CO)=CC(F)=C1O N27150 [1,1,0,0,0,0|0,0,1]=3 514 B12R1.449 COC1=C(F)C=C(F)C(C=O)=C1 N24747 [1,1,0,0,0,0|1,0,0]=3 515 B12R1.449 COC1=C(F)C=C(F)C(CO)=C1 N26115 [1,1,0,0,0,0|1,0,1]=4 516 B12R1.449 COC1=CC(OC)=C(Cl)C=C1O N27260 [1,1,0,0,0,0|2,0,0]=4 517 B12R1.654 COC1=C(C)C=NC(C=O)=C1C Q60399 [1,1,0,0,0,0|2,0,0]=4 518 B12R1.654 COC1=C(Cl)C=CC(CO)=C1F N24308 [1,1,0,0,0,0|1,0,1]=4 519 B12R1.654 COC1=C(F)C(C=O)=CC=C1Cl Q67000 [1,1,0,0,0,0|1,0,0]=3 520 B12R1.654 CSC1=C(F)C(C=O)=CC=C1Cl Q68499 [1,1,0,0,0,0|1,1,0]=4 521 B14R1.3651 COC1=CC=C(NC(=N)N)C=C1OC L20986 [0,1,0,0,0,1|2,0,0]=4 522 B14R1.31 COC1=CC=C(C(=O)O)C=C1B(O)O Q66591 [0,2,0,0,0,0|2,0,0]=4 523 B14R1.31 COC1=CC=C(C(=O)O)C=C1C(C)C O29033 [0,2,0,0,0,0|1,0,0]=3 524 B14R1.706 COC(=O)C1=CC(C(=O)O)=CC=C1C M15238 [0,2,0,0,0,0|1,0,0]=3 525 B14R1.706 COC(=O)C1=CC(C(=O)O)=CC=C1N Q69876 [0,2,0,0,0,0|1,0,0]=3 526 B14R1.706 COC(=O)C1=CC(C(C)=O)=CC=C1Cl F-4877 [0,2,0,0,0,0|2,0,0]=4 527 B14R1.748 COC(=O)C1=CC(C(C)C)=C(Cl)C=C1 N26788 [0,2,0,0,0,0|2,0,0]=4 528 B14R1.748 COC(=O)C1=CC=C(O)C(C(C)=O)=C1 O31646 [0,2,0,0,0,0|1,0,0]=3 529 B14R1.6035 CC(C)C1=C(O)C=C(O)C(C(=O)O)=C1 O32656 [0,2,0,0,0,0|1,0,0]=3 530 B14R1.358 COC(=O)C1=CC(C)=C(F)C(OC)=C1 O29121 [0,2,0,0,0,0|1,0,0]=3 531 B14R1.358 COC(=O)C1=CC(OC)=C(F)C(F)=C1 N27803 [0,2,0,0,0,0|1,0,0]=3 532 B14R1.626 CCOC(=O)C1=CN=C(Br)C(OC)=C1 N26306 [0,2,0,0,0,0|2,0,0]=4 533 B14R1.626 CCOC(=O)C1=CN=C(Cl)C(OC)=C1 N26301 [0,2,0,0,0,0|2,0,0]=4 534 B14R1.1864 COC(=O)C1=CC=C(CBr)C(OC)=C1 M23304 [0,2,0,0,0,0|1,0,0]=3 535 B14R1.1864 COC(=O)C1=CC=C(CO)C(OC)=C1 H-8085 [0,2,0,0,0,0|0,0,0]=2 536 B14R1.1864 COC(=O)C1=NC(OC)=C(CBr)C=C1 M15287 [0,2,0,0,0,0|2,0,0]=4 537 B14R1.1864 COC1=CC=C(C(=O)CBr)C=C1OC O31184 [0,2,0,0,0,0|1,0,0]=3 538 B14R1.1864 COC1=CC=C(C(=O)CN)C=C1OC P37076 [0,2,0,0,0,0|1,0,0]=3 539 B14R1.1864 COC1=CC=C([C@@H](N)CO)C=C1OC P42550 [0,2,0,0,0,0|1,0,1]=4 540 B14R1.1864 COC1=CC=C([C@H](N)CO)C=C1OC P42549 [0,2,0,0,0,0|1,0,1]=4 541 B14R1.2283 COC(=O)C1=CC(OC)=C(Br)C=C1N Q53457 [0,2,0,0,0,0|1,0,0]=3 542 B14R1.2283 COC(=O)C1=CC(OC)=C(Cl)C=C1N O31215 [0,2,0,0,0,0|1,0,0]=3 543 B14R1.2283 COC(=O)C1=CC(OC)=C(F)C=C1F N27832 [0,2,0,0,0,0|1,0,0]=3 544 B14R1.2283 COC(=O)C1=CC(OC)=C(F)C=C1N O31073 [0,2,0,0,0,0|1,0,0]=3 545 B14R1.2283 COC(=O)C1=CC(OC)=C(O)C=C1N P51167 [0,2,0,0,0,0|0,0,0]=2 546 B14R1.4114 COC(=O)C1=C(F)C(OC)=C(Cl)C=C1 N26723 [0,2,0,0,0,0|1,0,0]=3 547 B14R1.4114 COC(=O)C1=CC=C(Cl)C(SC)=C1F Q68502 [0,2,0,0,0,0|1,1,0]=4 548 B14R1.350 COC1=C(CO)C(F)=CC(B(O)O)=C1 Q68725 [0,2,0,0,0,0|1,0,1]=4 549 B14R1.569 COC1=C(Cl)C(F)=C(F)C(C(=O)O)=C1 N27348 [0,2,0,0,0,0|1,0,0]=3 550 B14R1.676 CC(C)OC1=C(F)C=CC(C(=O)O)=C1 N26633 [0,2,0,0,0,0|1,0,0]=3 551 B14R1.676 CC(C)OC1=CC(C(=O)O)=CN=C1F N25294 [0,2,0,0,0,0|2,0,0]=4 552 B14R1.676 CC1=CC=C(C(=O)O)C=C1OC(C)C Q66679 [0,2,0,0,0,0|1,0,0]=3 553 B14R1.676 O=C(O)C1=NC=C(Cl)C(OC(F)F)=C1 P43381 [0,2,0,0,0,0|2,0,0]=4 554 B14R1.676 O=C(O)C1=NC=C(F)C(OC(F)F)=C1 P43372 [0,2,0,0,0,0|2,0,0]=4 555 B14R1.758 COCOC1=CC(C(=O)O)=CC=C1C Q67937 [0,2,0,0,0,0|1,0,0]=3 556 B14R1.1851 COC1=C(OC)C=C(B(O)O)C(F)=C1 N25950 [0,2,0,0,0,0|1,0,1]=4 557 B14R1.1851 COC1=CC(F)=C(C(C)=O)C=C1OC N24573 [0,2,0,0,0,0|1,0,0]=3 558 B14R1.2288 COC1=CC(Br)=C(OC)C=C1C(=O)O N25970 [0,2,0,0,0,0|1,0,0]=3 559 B14R1.2288 COC1=CC(Br)=C(OC)C=C1C(C)=O O32437 [0,2,0,0,0,0|2,0,0]=4 560 B14R1.2288 COC1=CC(C)=C(OC)C=C1C(=O)O N27061 [0,2,0,0,0,0|1,0,0]=3 561 B14R1.43 COC1=CC(B(O)O)=CC=C1C(=O)O Q66273 [0,2,0,0,0,0|1,0,1]=4 562 B14R1.43 COC1=CC(C(=O)O)=CC=C1B(O)O N24321 [0,2,0,0,0,0|0,0,0]=2 563 B14R1.43 COC1=CC(C(N)=O)=CC=C1B(O)O N25288 [0,2,0,0,0,0|1,0,0]=3 564 B14R1.6723 CCOC1=C(CC)C=C(C(=O)O)C=C1 N27439 [0,2,0,0,0,0|1,0,0]=3 565 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 P36718 [0,0,1,1,0,0|1,0,1]=4 566 B12R2.44 O=CC1=CC=C2N=COC2=C1 O34161 [1,0,0,1,0,0|1,0,1]=4 567 B14R2.24358 CC1=CNC2=C1C=C(C(=O)O)C=C2 O30169 [0,1,0,1,0,0|2,0,0]=4 568 B14R2.24358 CC1=NNC2=C1C=C(C(=O)O)C=C2 Q55685 [0,1,0,1,0,0|2,0,0]=4 569 B14R2.24358 CN1C=CC2=C1C=C(C(=O)O)C=C2 O31174 [0,1,0,1,0,0|2,0,0]=4 570 B14R2.24358 CN1N=CC2=CC=C(C(=O)O)C=C21 C-2024 [0,1,0,1,0,0|2,0,0]=4 571 B14R2.24358 O=C(O)C1=CC2=C(C=C1)COC2=O L18007 [0,1,0,1,0,0|2,0,0]=4 572 B14R2.24358 O=C(O)C1=CC=C2CCC(=O)C2=C1 N24896 [0,1,0,1,0,0|2,0,0]=4 573 B14R2.966 COC(=O)C1=CC2=C(C=C1)CCN2 P51369 [0,1,0,1,0,0|2,0,0]=4 574 B14R2.966 COC(=O)C1=CC2=C(C=C1)NCC2 O32267 [0,1,0,1,0,0|2,0,0]=4 575 B14R2.966 COC(=O)C1=CC=C2C=COC2=C1 O31362 [0,1,0,1,0,0|1,0,1]=4 576 B14R2.966 NCC(O)C1=CC=C2OCOC2=C1 P36307 [0,1,0,1,0,0|1,0,1]=4 577 B14R2.8824 O=C(O)C1=CC2=C(OC=C2)C(Br)=C1 O33188 [0,1,0,1,0,0|1,0,1]=4 578 B14R2.601 CC1=CC2=C(C=CC(C(=O)O)=C2)N1 Q69888 [0,1,0,1,0,0|2,0,0]=4 579 B14R2.601 CC1=CC2=CC=C(C(=O)O)C=C2N1 M15016 [0,1,0,1,0,0|2,0,0]=4 580 B14R2.601 CC1=NC2=CC(C(=O)O)=CC=C2O1 O32311 [0,1,0,1,0,0|1,0,0]=3 581 B14R2.601 CC1=NC2=CC(C(=O)O)=CC=C2S1 O34466 [0,1,0,1,0,0|1,1,0]=4 582 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2O1 O32320 [0,1,0,1,0,0|1,0,0]=3 583 B14R2.601 CN1C=C2C=C(C(=O)O)C=CC2=N1 C-2124 [0,1,0,1,0,0|2,0,0]=4 584 B14R2.601 CN1C=C2C=CC(C(=O)O)=CC2=N1 C-2113 [0,1,0,1,0,0|2,0,0]=4 585 B14R2.601 O=C1NC2=C(C=C(C(=O)O)C=C2)O1 Q53225 [0,1,0,1,0,0|1,0,1]=4 586 B14R2.781 O=C(O)C1=CC=C2NCCOC2=C1 G-6601 [0,1,0,1,0,0|1,0,0]=3 587 B14R2.781 O=C(O)C1=CC=C2NCCSC2=C1 H-8653 [0,1,0,1,0,0|1,1,0]=4 588 B14R2.781 O=C(O)C1=CN=C2OCCOC2=C1 Q70111 [0,1,0,1,0,0|1,0,0]=3 589 B14R2.781 OB(O)C1=CC=C2OCCOC2=C1 Q66369 [0,1,0,1,0,0|1,0,1]=4 590 B14R2.624 O=C(O)C1=C(Br)C=C2OCOC2=C1 P51246 [0,1,0,1,0,0|0,0,0]=2 591 B10R1.58 CC1=C(Br)C=C(C(=O)O)O1 L19302 [1,0,0,0,1,0|2,0,0]=4 592 B10R1.58 CN1N=C(C(=O)O)C=C1O H-8034 [1,0,0,0,1,0|2,0,0]=4 593 B10R1.194 CC1=C(C(=O)O)SC=C1Br Q65603 [1,0,0,0,1,0|2,0,0]=4 594 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 O30456 [1,0,0,0,1,0|2,0,0]=4 595 B10R1.194 CC1=CNC(C(=O)O)=C1C C-3353 [1,0,0,0,1,0|2,0,0]=4 596 B10R1.194 CN1C(Br)=CC=C1C(=O)O O30276 [1,0,0,0,1,0|2,0,0]=4 597 B10R1.31 CCC1=CC=C(C(=O)O)S1 Q68130 [1,0,0,0,1,0|2,0,0]=4 598 B10R1.31 COC1=CSC(C(=O)O)=C1 O30204 [1,0,0,0,1,0|1,0,0]=3 599 B10R1.39 CSC1=C(C(=O)O)C=CS1 N25635 [1,0,0,0,1,0|1,1,0]=4 600 B12R1.438 COC1=CC(CC(C)=O)=CC=C1 P38947 [1,0,0,0,0,1|1,0,0]=3 601 B12R1.438 COC1=CC=CC(CC(=O)O)=N1 S72733 [1,0,0,0,0,1|1,0,0]=3 602 B12R1.438 COC1=CC=CC(CC(C)=O)=N1 Q58463 [1,0,0,0,0,1|2,0,0]=4 603 B12R1.57 CCC1=CC(Br)=CC=C1C(=O)O Q67851 [0,0,0,0,1,1|2,0,0]=4 604 B12R1.57 CNC1=CC(F)=CC=C1C(=O)O M23715 [0,0,0,0,1,1|2,0,0]=4 605 B12R1.57 COC1=C(C(=O)O)C=CC(C)=N1 Q60539 [0,0,0,0,1,1|1,0,0]=3 606 B12R1.57 COC1=C(C(=O)O)C=CC(N)=N1 O34541 [0,0,0,0,1,1|1,0,0]=3 607 B12R1.57 COC1=C(C(C)=O)C=CC(O)=C1 H-8631 [0,0,0,0,1,1|1,0,0]=3 608 B12R1.57 COC1=CC(Cl)=CN=C1C(=O)O L14352 [0,0,0,0,1,1|2,0,0]=4 609 B12R1.57 COC1=CC(O)=CC=C1B(O)O N25998 [0,0,0,0,1,1|1,0,1]=4 610 B12R1.57 COC1=CC(O)=CC=C1C(=O)O N25767 [0,0,0,0,1,1|0,0,0]=2 611 B12R1.87 COC1=C(B(O)O)C=CC=C1O N26457 [0,0,0,0,1,1|1,0,1]=4 612 B12R1.87 COC1=C(C(=O)O)C=CC=C1F N24156 [0,0,0,0,1,1|1,0,0]=3 613 B12R1.87 COC1=C(C(=O)O)C=CC=C1O N25189 [0,0,0,0,1,1|0,0,0]=2 614 B12R1.87 COC1=C(C(=O)O)C=CN=C1O Q60674 [0,0,0,0,1,1|0,0,0]=2 615 B12R1.87 COC1=C(C(=O)O)N=CC=C1Cl Q53039 [0,0,0,0,1,1|1,0,0]=3 616 B12R1.87 CSC1=C(Br)C=CC=C1C(=O)O N27043 [0,0,0,0,1,1|1,1,0]=4 617 B12R1.87 CSC1=C(F)C=CC=C1C(=O)O Q68635 [0,0,0,0,1,1|1,1,0]=4 618 B14R1.42 COC1=CC(CCC(=O)O)=CC=C1F M23185 [0,0,0,0,0,2|1,0,0]=3 619 B14R1.42 COC1=CC(CCC(=O)O)=CC=C1O P42580 [0,0,0,0,0,2|0,0,0]=2 620 B14R1.42 COC1=CC(CCC(C)O)=CC=C1O O29446 [0,0,0,0,0,2|1,0,1]=4