0 B12R1.4 C#CC1=CC=C(CC(=O)O)C=C1 P39766 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.4 C#CC1=CC=C(CC(=O)O)C=N1 Q62378 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 P39368 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.4 CN(C)CC1=CC=C(C=O)C=C1 M23206 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 P38663 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 L19340 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.4 COC1=CC=C(CC(=O)[O-])C=C1 Q66992 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.4 COC1=CC=C(NC(C)C)C=C1 P40746 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.4 COC1=CC=C(OC(C)=O)C=C1 Q67288 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 P42337 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.20 CC(=O)NC1=CC=C(Br)N=C1 P38969 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.20 CC(=O)NC1=CC=C(N)N=C1 Q58423 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.20 CC(=O)NC1=CN=C(Cl)C=C1 L19034 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 M15214 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 P40160 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 P41430 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.20 CC(C)OC1=CC=C(O)C=C1 O30893 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.20 CC(N)CC1=CC=C(Br)C=C1 P41684 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 P43234 [1,0,0,0,0,0|2,1,0]=4 19 B11R1.20 CN(C)CC1=CC=C(N)C=C1 P36889 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 O31092 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 Q62419 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.20 O=C(O)CC1=CC=C(Br)N=C1 P38230 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.20 O=C(O)CC1=CC=C(F)C=N1 I-9943 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.20 O=C(O)CC1=CC=C(I)C=N1 P49243 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 L13539 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 Q52525 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.83 C=CCC1=CN=C(OC)C=C1 N26473 [1,0,0,0,0,0|1,0,1]=3 28 B11R1.83 CCC1=CC=C(CCN)C=C1 P36862 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.83 CCC1=CC=C(CNC)C=C1 P37356 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.83 CCCC1=CN=C(OC)C=C1 N26472 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.83 CCNC1=CC=C(CC)C=C1 P37885 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.83 CCNC1=CC=C(OC)C=C1 P42858 [1,0,0,0,0,0|1,0,1]=3 33 B11R1.83 CNCC1=CC=C(C#N)C=C1 P38675 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.83 CNCC1=CC=C(CN)C=C1 P38885 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.83 CNCC1=CN=C(OC)C=C1 L19846 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.83 COC1=CC=C(CCBr)C=C1 P41235 [1,0,0,0,0,0|1,0,1]=3 37 B11R1.83 COC1=CC=C(CNN)C=C1 C-3256 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.83 COCC1=CC=C(C=O)C=C1 N25868 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.83 COCC1=CC=C(CO)C=C1 M23214 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.83 N#CC1=CC=C(CC=O)C=C1 K12007 [1,0,0,0,0,0|2,0,0]=3 41 B13R1.4 COC1=CC=C(CS(N)(=O)=O)C=C1 H-8154 [0,1,0,0,0,0|2,0,0]=3 42 B13R1.5 C#CC1=CC=C(CC(=O)OC)C=C1 M22867 [0,1,0,0,0,0|1,0,1]=3 43 B13R1.5 C#CC1=CC=C(CC(=O)OC)C=N1 Q62379 [0,1,0,0,0,0|2,0,1]=4 44 B13R1.5 CCC(=O)CC1=CC=C(OC)C=C1 P37560 [0,1,0,0,0,0|0,0,0]=1 45 B13R1.5 CNC(=O)CC1=CC=C(C#N)C=C1 P36034 [0,1,0,0,0,0|2,0,0]=3 46 B13R1.5 COC(=O)CC1=CC=C(CCl)C=C1 O28002 [0,1,0,0,0,0|2,0,0]=3 47 B13R1.5 COC1=CC=C(CC(N)CO)C=C1 P40488 [0,1,0,0,0,0|1,0,1]=3 48 B13R1.5 COC1=CC=C(C[C@H](N)CO)C=C1 P39832 [0,1,0,0,0,0|1,0,1]=3 49 B13R1.35 COC1=C(C)C=C(OC(C)C)C=C1 N26994 [0,1,0,0,0,0|2,0,1]=4 50 B13R1.35 COC1=CC=C(OC(C)=O)C=C1F N27075 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.36 CCC1=CC=C(C(=O)C(=O)O)C=C1 P36489 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.36 CCC1=CC=C(C(N)C(=O)O)C=C1 P38862 [0,1,0,0,0,0|2,0,0]=3 53 B13R1.36 COC1=CC=C(C(=O)C(=O)O)C=C1 P36487 [0,1,0,0,0,0|1,0,1]=3 54 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 G-5944 [0,1,0,0,0,0|1,0,0]=2 55 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 L13499 [0,1,0,0,0,0|1,0,0]=2 56 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 P39404 [0,1,0,0,0,0|1,0,0]=2 57 B13R1.36 COC1=CC=C([C@@H](N)C(N)=O)C=C1 M22953 [0,1,0,0,0,0|1,0,0]=2 58 B13R1.36 COC1=CC=C([C@H](N)C(=O)O)C=C1 P39405 [0,1,0,0,0,0|1,0,0]=2 59 B13R1.142 CCOC1=CN=C(CC(=O)O)C=C1 Q60808 [0,1,0,0,0,0|2,0,0]=3 60 B13R1.142 CCOC1=NC=C(CC(=O)O)C=C1 Q60855 [0,1,0,0,0,0|2,0,0]=3 61 B13R1.142 NCCC1=CC=C(CC(=O)O)C=C1 P34751 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.585 CC(=O)C1=CC=C(CC(=O)O)C=C1 O27998 [0,1,0,0,0,0|2,0,0]=3 63 B13R1.585 CC(=O)NC1=CC=C([C@@H](C)N)C=C1 P51603 [0,1,0,0,0,0|2,0,0]=3 64 B13R1.585 CN(C)C1=CC=C(CC(=O)O)C=C1 P40604 [0,1,0,0,0,0|2,0,0]=3 65 B13R1.585 NC(=O)CC1=CC=C([N+](=O)[O-])C=C1 Q66125 [0,1,0,0,0,0|3,0,0]=4 66 B13R1.653 COC1=CC(F)=C(CC(C)=O)C=C1 F-4362 [0,1,0,0,0,0|0,0,0]=1 67 B13R2.2121 COC1=CC2=C(C=N1)C=C(C)N2 M15485 [0,0,0,1,0,0|2,0,1]=4 68 B13R2.2121 COC1=CC=C2CC(=O)NC2=N1 Q55139 [0,0,0,1,0,0|2,0,0]=3 69 B13R2.2121 COC1=CC=C2NC(=O)CC2=N1 Q64310 [0,0,0,1,0,0|2,0,0]=3 70 B13R2.2121 COC1=CC=C2NC(=O)NC2=C1 P39867 [0,0,0,1,0,0|2,0,0]=3 71 B13R2.2121 COC1=CC=C2NC(C)=CC2=N1 P49048 [0,0,0,1,0,0|3,0,0]=4 72 B13R2.2121 COC1=CC=C2SC(N)=NC2=C1 Q55821 [0,0,0,1,0,0|3,0,0]=4 73 B13R2.2121 COC1=CN=C2NC(=O)CC2=C1 Q55141 [0,0,0,1,0,0|2,0,0]=3 74 B13R2.2121 COC1=NC=C2NC(=O)CC2=C1 Q64412 [0,0,0,1,0,0|2,0,0]=3 75 B13R2.2121 O=C1CC2=C(C=CC(CO)=C2)N1 L14680 [0,0,0,1,0,0|3,0,0]=4 76 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 O28118 [0,0,0,0,1,0|2,0,1]=4 77 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 O27991 [0,0,0,0,1,0|1,0,1]=3 78 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 L20737 [0,0,0,0,1,0|2,0,0]=3 79 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 P36753 [0,0,0,0,1,0|2,0,0]=3 80 B11R1.3 CCC1=CC=C(C(C)=O)C=N1 Q53712 [0,0,0,0,1,0|2,0,0]=3 81 B11R1.3 CCC1=CC=C(C(C)N)C=C1 P41160 [0,0,0,0,1,0|2,0,1]=4 82 B11R1.3 CCC1=CC=C(C(C)O)C=C1 M22873 [0,0,0,0,1,0|1,0,2]=4 83 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 Q60524 [0,0,0,0,1,0|3,0,0]=4 84 B11R1.3 CNC1=CC=C(N(C)C)C=C1 P37575 [0,0,0,0,1,0|3,0,0]=4 85 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 P50006 [0,0,0,0,1,0|3,0,0]=4 86 B11R1.3 COC1=CC=C(C(N)=S)C=N1 O31104 [0,0,0,0,1,0|2,1,0]=4 87 B11R1.3 COC1=CN=C(C(=O)O)C=C1 Q68348 [0,0,0,0,1,0|2,0,0]=3 88 B11R1.3 COC1=CN=C(C(=O)O)C=N1 O31701 [0,0,0,0,1,0|3,0,0]=4 89 B11R1.3 COC1=CN=C(C(=O)O)N=C1 Q52332 [0,0,0,0,1,0|3,0,0]=4 90 B11R1.3 COC1=CN=C([C@@H](C)N)C=C1 Q62470 [0,0,0,0,1,0|2,0,1]=4 91 B11R1.3 COC1=NC=C(C(=O)O)C=N1 Q67508 [0,0,0,0,1,0|3,0,0]=4 92 B11R1.3 COC1=NN=C(C(=O)O)C=C1 L22364 [0,0,0,0,1,0|3,0,0]=4 93 B11R1.3 CSC1=NC=C(C(=O)O)C=C1 N24630 [0,0,0,0,1,0|2,1,0]=4 94 B11R1.3 N#CC1=CC=C(C(=O)Cl)C=C1 P43237 [0,0,0,0,1,0|3,0,0]=4 95 B11R1.3 N#CC1=CC=C(C(N)=O)C=C1 P38941 [0,0,0,0,1,0|3,0,0]=4 96 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 P37128 [0,0,0,0,1,0|3,0,0]=4 97 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 O28757 [0,0,0,0,1,0|3,0,0]=4 98 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 A-701 [0,0,0,0,1,0|3,0,0]=4 99 B11R1.3 O=C(O)C1=CC=C(CS)C=C1 P38363 [0,0,0,0,1,0|3,0,0]=4 100 B13R1.3 COC1=CC=C(CNC(C)C)C=C1 P36504 [0,0,0,0,0,1|1,0,1]=3 101 B13R1.3 COC1=CC=C(OCC(C)N)C=C1 P35304 [0,0,0,0,0,1|1,0,1]=3 102 B13R1.3 COC1=NC=C(CCC(=O)O)C=C1 Q60513 [0,0,0,0,0,1|2,0,0]=3 103 B13R1.3 COC1=NC=C(\C=C\C(=O)O)C=C1 Q60792 [0,0,0,0,0,1|2,0,1]=4 104 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 O28052 [0,0,0,0,0,1|3,0,0]=4 105 B13R1.3 NCC1=CC=C(CCC(=O)O)C=C1 P37476 [0,0,0,0,0,1|3,0,0]=4 106 B10R1.1 CNCC1=CC=C(Cl)C=C1 P42874 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.1 CNCC1=CC=C(N)C=C1 P38425 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.1 CNCC1=CC=C(O)C=C1 P36065 [2,0,0,0,0,0|1,0,0]=3 109 B10R1.1 COCC1=CC=C(Br)C=C1 Q67196 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.18 CC(=O)CC1=CC=CN=C1 P36950 [2,0,0,0,0,0|1,0,0]=3 111 B10R1.3 C#CC1=CC=C(C=O)C=C1 P36909 [2,0,0,0,0,0|1,0,1]=4 112 B10R1.3 CCC1=CC=C(CO)C=C1 Q68223 [2,0,0,0,0,0|1,0,1]=4 113 B10R1.3 CCC1=NC=C(C=O)C=C1 Q60469 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.3 CNC1=CC=C(CO)C=C1 P40364 [2,0,0,0,0,0|1,0,1]=4 115 B10R1.3 CNC1=NC=C(C=O)C=C1 Q55452 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.3 COC1=CC=C(CBr)C=C1 Q67503 [2,0,0,0,0,0|1,0,0]=3 117 B10R1.3 COC1=CC=C(CBr)C=N1 N25219 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.3 COC1=CC=C(CN)N=C1 Q52335 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.3 COC1=CC=C(NN)C=C1 P43291 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.3 COC1=CN=C(C=O)C=C1 N24757 [2,0,0,0,0,0|1,0,0]=3 121 B10R1.3 COC1=CN=C(C=O)C=N1 O29829 [2,0,0,0,0,0|2,0,0]=4 122 B10R1.3 COC1=CN=C(C=O)N=C1 I-9829 [2,0,0,0,0,0|2,0,0]=4 123 B10R1.3 COC1=CN=C(CCl)C=C1 L13052 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.3 COC1=CN=C(CO)C=C1 I-9706 [2,0,0,0,0,0|1,0,1]=4 125 B10R1.3 COC1=CN=C(OC)C=C1 Q67646 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.3 COC1=NC=C(C=O)C=N1 Q67228 [2,0,0,0,0,0|2,0,0]=4 127 B10R1.3 COC1=NC=C(CN)C=C1 C-3721 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.3 COC1=NC=C(CN)C=C1 G-6806 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.3 COC1=NC=C(CO)C=C1 C-3532 [2,0,0,0,0,0|1,0,1]=4 130 B10R1.3 CSC1=NC=C(C=O)C=C1 N24581 [2,0,0,0,0,0|1,1,0]=4 131 B10R1.3 O=CC1=CC=C(CCl)C=C1 P45270 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.3 O=CC1=CC=C(CO)C=C1 P37667 [2,0,0,0,0,0|2,0,0]=4 133 B12R1.19 CC1=CC(CC(=O)O)=CC=C1N P51427 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.19 CC1=CC=C(CN(C)C)C=C1Br N27159 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.19 O=C(O)CC1=CC=C(Br)C(Cl)=C1 P41923 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.19 O=C(O)CC1=CC=C(Br)C(F)=C1 S70897 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.19 O=C(O)CC1=CC=C(O)C(I)=C1 K12031 [1,1,0,0,0,0|1,0,0]=3 138 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 P42359 [1,1,0,0,0,0|2,0,0]=4 139 B12R1.20 CC(C(=O)O)C1=CC=C(Cl)C=C1 P34974 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 P36216 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 Q65925 [1,1,0,0,0,0|2,0,0]=4 142 B12R1.20 CC1=CC=C(C(=O)C(=O)O)C=C1 P36454 [1,1,0,0,0,0|1,0,1]=4 143 B12R1.20 CC1=CC=C(C(N)C(C)C)C=C1 P35720 [1,1,0,0,0,0|1,0,1]=4 144 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 P51478 [1,1,0,0,0,0|1,0,0]=3 145 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 P36564 [1,1,0,0,0,0|1,0,0]=3 146 B12R1.20 CC1=CC=C([C@H](C)C(=O)O)C=C1 P51479 [1,1,0,0,0,0|1,0,0]=3 147 B12R1.20 CC1=CC=C([C@H](N)C(=O)O)C=C1 P42360 [1,1,0,0,0,0|1,0,0]=3 148 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 P36483 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.20 NC(C(=O)O)C1=CC=C(I)C=C1 P38972 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 P42008 [1,1,0,0,0,0|2,0,0]=4 151 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 O28109 [1,1,0,0,0,0|2,0,0]=4 152 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 O28686 [1,1,0,0,0,0|2,0,0]=4 153 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Br)C=C1 M22620 [1,1,0,0,0,0|2,0,0]=4 154 B12R1.49 CC1=CC=C(CC(N)CO)C=C1 P38590 [1,1,0,0,0,0|1,0,1]=4 155 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 P35566 [1,1,0,0,0,0|1,0,1]=4 156 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 P40728 [1,1,0,0,0,0|1,0,0]=3 157 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 O31002 [1,1,0,0,0,0|1,0,0]=3 158 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 P37023 [1,1,0,0,0,0|1,0,0]=3 159 B12R1.49 COC(=O)CC1=CC=C(Br)N=C1 Q53249 [1,1,0,0,0,0|2,0,0]=4 160 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 P39469 [1,1,0,0,0,0|0,0,0]=2 161 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 I-9270 [1,1,0,0,0,0|2,0,0]=4 162 B12R1.49 NC1=CC=C(NC(=O)CO)C=C1 P40684 [1,1,0,0,0,0|2,0,0]=4 163 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 P37292 [1,1,0,0,0,0|2,0,0]=4 164 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 M23085 [1,1,0,0,0,0|1,0,1]=4 165 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 P37803 [1,1,0,0,0,0|1,0,1]=4 166 B12R1.49 O=C(CBr)CC1=CC=C(Cl)C=C1 O29303 [1,1,0,0,0,0|1,0,0]=3 167 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 P39650 [1,1,0,0,0,0|2,0,0]=4 168 B12R1.106 CC1=CC=C(CS(=O)(=O)Cl)C=C1 P37721 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.106 CC1=CC=C(CS(N)(=O)=O)C=C1 L20915 [1,1,0,0,0,0|2,0,0]=4 170 B12R1.106 CC1=CC=C(NS(C)(=O)=O)C=C1 L21041 [1,1,0,0,0,0|2,0,0]=4 171 B12R1.233 CC(=O)NC1=NC=C(C)C=C1Br Q67776 [1,1,0,0,0,0|2,0,0]=4 172 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 H-8931 [1,1,0,0,0,0|2,0,0]=4 173 B12R1.233 CC1=CC(Br)=CC=C1CC(=O)O P35776 [1,1,0,0,0,0|2,0,0]=4 174 B12R1.233 CC1=NC(C)=C(CC(=O)O)C=C1 Q60611 [1,1,0,0,0,0|2,0,0]=4 175 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 P35874 [1,1,0,0,0,0|0,0,1]=3 176 B12R1.5 CCC(O)C1=CC=C(OC)C=C1 P37583 [1,1,0,0,0,0|0,0,1]=3 177 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 P40807 [1,1,0,0,0,0|0,0,1]=3 178 B12R1.5 COC1=CC=C(C(N)CO)C=C1 P41432 [1,1,0,0,0,0|0,0,2]=4 179 B12R1.5 COC1=CC=C(C(O)CN)C=C1 P37470 [1,1,0,0,0,0|1,0,1]=4 180 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 P43091 [1,1,0,0,0,0|0,0,2]=4 181 B12R1.5 COC1=CC=C([C@H](N)CO)C=C1 P40188 [1,1,0,0,0,0|0,0,2]=4 182 B12R1.71 C#CCOC1=CC=C(OC)C=C1 P40611 [1,1,0,0,0,0|0,0,2]=4 183 B12R1.71 C=CCOC1=CC=C(OC)C=C1 P41609 [1,1,0,0,0,0|0,0,1]=3 184 B12R1.71 CCC1=CC=C(CCCO)C=C1 O28817 [1,1,0,0,0,0|1,0,1]=4 185 B12R1.71 CNCCC1=CC=C(OC)C=C1 P38192 [1,1,0,0,0,0|0,0,1]=3 186 B12R1.71 COC1=CC=C(C#CCBr)C=C1 L19331 [1,1,0,0,0,0|0,0,2]=4 187 B12R1.71 COC1=CC=C(C#CCO)C=C1 O27972 [1,1,0,0,0,0|0,0,2]=4 188 B12R1.71 COC1=CC=C(CCCBr)C=C1 O28114 [1,1,0,0,0,0|0,0,1]=3 189 B12R1.71 COC1=CC=C(CCCI)C=C1 O28095 [1,1,0,0,0,0|0,0,1]=3 190 B12R1.71 COC1=CC=C(CCCN)C=C1 P38522 [1,1,0,0,0,0|0,0,1]=3 191 B12R1.71 COC1=CC=C(CCCO)C=C1 P37549 [1,1,0,0,0,0|0,0,1]=3 192 B12R1.71 COC1=CC=C(NCCN)C=C1 P39417 [1,1,0,0,0,0|1,0,1]=4 193 B12R1.71 COC1=CC=C(OCCN)C=C1 P37768 [1,1,0,0,0,0|1,0,1]=4 194 B12R1.71 COC1=CC=C(OCCO)C=C1 P37559 [1,1,0,0,0,0|0,0,2]=4 195 B12R1.71 COCOC1=CC=C(OC)C=C1 Q68165 [1,1,0,0,0,0|1,0,0]=3 196 B12R1.113 CNCC1=CC=C(N(C)C)C=C1 P35884 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.113 O=CCC1=CC=C([N+](=O)[O-])C=C1 F-4000 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.114 COC1=CC=C(CC#N)C(F)=C1 P36276 [1,1,0,0,0,0|1,0,1]=4 199 B12R1.114 COC1=CC=C(CCN)C(F)=C1 P38246 [1,1,0,0,0,0|1,0,1]=4 200 B12R1.116 CCOC1=CC=C(CCN)C=C1 P36961 [1,1,0,0,0,0|1,0,1]=4 201 B12R1.116 CCOC1=CC=C(CCO)C=C1 O28110 [1,1,0,0,0,0|0,0,2]=4 202 B12R1.288 COCC1=CC=C(OC)C(Br)=C1 Q67879 [1,1,0,0,0,0|1,0,0]=3 203 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 P42415 [0,1,0,0,1,0|1,0,1]=4 204 B12R1.48 CNC1=CC=C(C(C)=O)C=C1N O31571 [0,1,0,0,1,0|1,0,0]=3 205 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 P44401 [0,1,0,0,1,0|2,0,0]=4 206 B12R1.48 COC1=C(Br)N=C(C(=O)O)C=C1 A-739 [0,1,0,0,1,0|2,0,0]=4 207 B12R1.48 COC1=C(F)C=C(C(=O)O)C=N1 S72635 [0,1,0,0,1,0|2,0,0]=4 208 B12R1.48 COC1=C(O)C=C(C(=O)O)C=N1 Q60788 [0,1,0,0,1,0|2,0,0]=4 209 B12R1.48 COC1=CC=C(C(C)=O)C=C1C Q67903 [0,1,0,0,1,0|0,0,0]=2 210 B12R1.48 COC1=CC=C(C(C)C)C=C1Br Q67537 [0,1,0,0,1,0|1,0,1]=4 211 B12R1.48 COC1=CN=C(C(=O)O)C=C1Cl L21805 [0,1,0,0,1,0|2,0,0]=4 212 B12R1.48 COC1=NC=C(C(=O)O)C=C1C N26013 [0,1,0,0,1,0|2,0,0]=4 213 B12R1.48 CSC1=C(Cl)C=C(C(=O)O)C=C1 N25372 [0,1,0,0,1,0|1,1,0]=4 214 B12R1.256 CC(=O)C1=CC=C(C(N)=O)C=C1 P36717 [0,1,0,0,1,0|2,0,0]=4 215 B12R1.256 CC(=O)C1=CN=C(C(C)C)C=C1 H-8735 [0,1,0,0,1,0|2,0,0]=4 216 B12R1.256 CC(N)C1=CC=C(C(=O)O)C=C1 O28758 [0,1,0,0,1,0|2,0,0]=4 217 B12R1.452 CCC1=CC=C(C(=O)O)C(F)=C1 K12290 [0,1,0,0,1,0|2,0,0]=4 218 B12R1.452 CCC1=CC=C(C(=O)O)C(N)=C1 K12293 [0,1,0,0,1,0|2,0,0]=4 219 B12R1.452 COC1=CC(C)=C(C(=O)O)C=N1 Q67661 [0,1,0,0,1,0|2,0,0]=4 220 B12R1.452 COC1=CC(N)=C(C(=O)O)C=N1 P44270 [0,1,0,0,1,0|2,0,0]=4 221 B12R1.452 COC1=CC=C(C(=O)O)C(C)=N1 N24695 [0,1,0,0,1,0|2,0,0]=4 222 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 N24433 [0,1,0,0,1,0|2,0,0]=4 223 B12R1.452 COC1=CC=C(C(C)C)C(F)=C1 C-3733 [0,1,0,0,1,0|1,0,1]=4 224 B12R1.452 COC1=CC=C(C(C)O)C(F)=C1 N25311 [0,1,0,0,1,0|0,0,2]=4 225 B12R1.452 COC1=CC=C(C(N)=O)C(N)=C1 M23146 [0,1,0,0,1,0|1,0,0]=3 226 B12R1.452 COC1=CN=C(C(=O)O)C(C)=C1 Q60878 [0,1,0,0,1,0|2,0,0]=4 227 B12R1.452 COC1=CN=C(C(=O)O)C(Cl)=C1 L13826 [0,1,0,0,1,0|2,0,0]=4 228 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 P51606 [0,1,0,0,1,0|2,0,0]=4 229 B12R1.452 COC1=NC=C(C(=O)O)C(C)=C1 Q60522 [0,1,0,0,1,0|2,0,0]=4 230 B12R1.452 CSC1=CC=C(C(=O)O)C(C)=C1 N26500 [0,1,0,0,1,0|1,1,0]=4 231 B14R1.2 CC(=O)CC(=O)C1=CC=C(C#N)C=C1 O31248 [0,1,0,0,0,1|2,0,0]=4 232 B14R1.2 COC1=CC=C(C(=O)CC(C)=O)C=C1 P38254 [0,1,0,0,0,1|0,0,0]=2 233 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 O28976 [0,1,0,0,0,1|1,0,0]=3 234 B14R1.2 COC1=CC=C([C@H](N)CC(=O)O)C=C1 O28958 [0,1,0,0,0,1|1,0,0]=3 235 B14R1.3 CCC1=CC=C(CC(N)C(=O)O)C=C1 O28924 [0,1,0,0,0,1|2,0,0]=4 236 B14R1.3 CCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 M22655 [0,1,0,0,0,1|2,0,0]=4 237 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 O28819 [0,1,0,0,0,1|2,0,0]=4 238 B14R1.3 COC1=CC=C(CC(=O)C(=O)O)C=C1 O28768 [0,1,0,0,0,1|1,0,0]=3 239 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 P37010 [0,1,0,0,0,1|1,0,0]=3 240 B14R1.5 COC(=O)COC1=CC=C(C=O)C=C1 P36364 [0,1,0,0,0,1|2,0,0]=4 241 B14R1.5 COC1=CC=C(CNC(=O)CCl)C=C1 P35940 [0,1,0,0,0,1|0,0,0]=2 242 B14R1.142 CCOC1=CC=C(CCC(=O)O)C=C1 P37894 [0,1,0,0,0,1|1,0,0]=3 243 B14R1.142 NCCC1=CC=C(CCC(=O)O)C=C1 P36039 [0,1,0,0,0,1|2,0,0]=4 244 B14R1.211 COC1=CC=C(CNC(C)(C)C)C=C1 P39540 [0,1,0,0,0,1|1,0,1]=4 245 B14R1.419 CC(=O)NCC1=CC=C(C(=O)O)C=C1 P42308 [0,1,0,0,0,1|2,0,0]=4 246 B14R1.419 CC(C)C1=CC=C(CCC(=O)O)C=C1 P37235 [0,1,0,0,0,1|2,0,0]=4 247 B14R1.419 CN(C)C1=CC=C(CCC(=O)O)C=C1 P36360 [0,1,0,0,0,1|2,0,0]=4 248 B14R1.3653 COC1=CC=C(CCC(=O)O)C=C1F O28425 [0,1,0,0,0,1|1,0,0]=3 249 B14R1.3653 COC1=CC=C(CCC(=O)O)C=C1O P42581 [0,1,0,0,0,1|1,0,0]=3 250 B14R1.3653 COC1=CC=C(\C=C\C(=O)O)C=C1Br Q53450 [0,1,0,0,0,1|1,0,1]=4 251 B14R1.7 COC(=O)C(=O)C1=CC=C(OC)C=C1 M23245 [0,2,0,0,0,0|0,0,1]=3 252 B14R1.7 COC(=O)C(N)C1=CC=C(OC)C=C1 Q65899 [0,2,0,0,0,0|0,0,0]=2 253 B14R1.954 C#CC1=CC=C(CC(=O)OCC)C=C1 P35587 [0,2,0,0,0,0|1,0,1]=4 254 B14R1.954 CCOC(=O)CC1=CC=C(CCl)C=C1 P36589 [0,2,0,0,0,0|2,0,0]=4 255 B14R1.954 CCOC(=O)CC1=CC=C(CN)C=C1 O31487 [0,2,0,0,0,0|2,0,0]=4 256 B14R1.954 COC1=CC=C(CC(=O)CC#N)C=C1 P42888 [0,2,0,0,0,0|0,0,0]=2 257 B14R1.954 COC1=CC=C(NC(=O)CC#N)C=C1 P37570 [0,2,0,0,0,0|1,0,0]=3 258 B14R1.2879 CC(=O)C1=CC=C(NC(=O)CCl)C=C1 P38406 [0,2,0,0,0,0|2,0,0]=4 259 B14R1.2879 COC(=O)CC1=CC=C(C(=O)O)C=C1 H-8847 [0,2,0,0,0,0|2,0,0]=4 260 B14R1.8 CNC(C(=O)O)C1=CC=C(OC)C=C1 Q65842 [0,2,0,0,0,0|1,0,0]=3 261 B14R1.8 COC1=CC=C(C(C#N)C(C)=O)C=C1 P36900 [0,2,0,0,0,0|0,0,0]=2 262 B14R1.8 COC1=CC=C(C(CN)C(=O)O)C=C1 P41069 [0,2,0,0,0,0|1,0,0]=3 263 B14R1.8 COC1=CC=C(C(CN)N(C)C)C=C1 P35798 [0,2,0,0,0,0|2,0,0]=4 264 B14R1.141 CCOC1=CC=C(C(=O)C(=O)O)C=C1 P36545 [0,2,0,0,0,0|1,0,1]=4 265 B14R1.141 CCOC1=CC=C(C(N)C(=O)O)C=C1 O28077 [0,2,0,0,0,0|1,0,0]=3 266 B14R1.213 COC1=CN=C(C(C)(C)C(=O)O)C=C1 Q60846 [0,2,0,0,0,0|2,0,0]=4 267 B14R1.6402 CC(C)C1=CC=C(C(N)C(=O)O)C=C1 P41888 [0,2,0,0,0,0|2,0,0]=4 268 B14R1.6402 CC(C)C1=CC=C([C@H](N)C(=O)O)C=C1 P40664 [0,2,0,0,0,0|2,0,0]=4 269 B14R1.68 CCCOC1=CC=[N+](CC(C)=O)C=C1 P51490 [0,2,0,0,0,0|1,0,0]=3 270 B14R1.717 COC(=O)C1=CC=C(CC(=O)O)C=C1 M15792 [0,2,0,0,0,0|1,0,0]=3 271 B14R1.805 CC(=O)NC1=CC=C(OC(C)=O)C=C1 P39250 [0,2,0,0,0,0|1,0,0]=3 272 B14R1.805 CC(C)SC1=CC=C(CC(=O)Cl)C=C1 L21162 [0,2,0,0,0,0|1,1,0]=4 273 B14R1.805 CN(C)CC1=CC=C(CC(=O)O)C=C1 P34727 [0,2,0,0,0,0|2,0,0]=4 274 B12R1.440 COC1=C(O)C(C(C)=O)=CC=C1 G-7111 [0,0,1,1,0,0|1,0,1]=4 275 B12R1.453 COC1=CC=C(F)C(C(C)=O)=C1 Q69718 [0,0,1,1,0,0|1,0,1]=4 276 B12R2.79 CC1=CC=C(C2CC2N)C=C1 Q69960 [1,0,0,1,0,0|1,0,1]=4 277 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(O)C=C2 L14742 [1,0,0,1,0,0|1,0,1]=4 278 B12R2.606 CC1=CN=C2CC(=O)NC2=C1 Q64311 [1,0,0,1,0,0|2,0,0]=4 279 B12R2.606 CC1=CN=C2NC(=O)CC2=C1 Q55134 [1,0,0,1,0,0|2,0,0]=4 280 B12R2.606 CC1=NC2=CC(O)=CC=C2O1 P51391 [1,0,0,1,0,0|2,0,0]=4 281 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 P44528 [1,0,0,1,0,0|2,0,0]=4 282 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 C-2304 [1,0,0,1,0,0|2,0,0]=4 283 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 G-5187 [1,0,0,1,0,0|2,0,0]=4 284 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 O30335 [1,0,0,1,0,0|1,0,0]=3 285 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 C-3428 [1,0,0,1,0,0|2,0,0]=4 286 B12R2.606 O=C1CC2=CC(Br)=CC=C2O1 H-8082 [1,0,0,1,0,0|2,0,0]=4 287 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 E-3094 [1,0,0,1,0,0|2,0,0]=4 288 B12R2.606 O=C1CC2=CC(O)=CN=C2N1 L14537 [1,0,0,1,0,0|2,0,0]=4 289 B12R2.606 O=C1NC2=CC=C(O)C=C2N1 P38343 [1,0,0,1,0,0|2,0,0]=4 290 B12R2.9 COC1=NC=C(C2CC2)C=C1 N27275 [1,0,0,1,0,0|1,0,1]=4 291 B12R2.44 COC1=CC2=C(C=C1)CCN2 O34504 [1,0,0,1,0,0|1,0,1]=4 292 B12R2.44 COC1=CC2=C(C=C1)CNC2 M15507 [1,0,0,1,0,0|1,0,0]=3 293 B12R2.44 COC1=CC2=C(C=C1)NCC2 P39671 [1,0,0,1,0,0|1,0,1]=4 294 B12R2.44 COC1=CC2=C(C=C1)OC=C2 L14993 [1,0,0,1,0,0|1,0,1]=4 295 B14R2.27 COC1=CC=C(C2CC(=O)N2)C=C1 P40394 [0,0,0,1,0,1|0,0,0]=2 296 B14R2.134 COC1=CC2=C(C=C1)C=NC(C)=C2 Q65388 [0,0,0,1,0,1|1,0,1]=4 297 B14R2.328 COC1=CC=C(CNC2CC2)C=C1 P36506 [0,0,0,1,0,1|1,0,1]=4 298 B14R2.28 COC1=CC=C(CC2(N)CC2)C=C1 Q66083 [0,1,0,1,0,0|1,0,1]=4 299 B14R2.331 COC1=CC=C(CC2CNC2)C=C1 P34993 [0,1,0,1,0,0|1,0,1]=4 300 B14R2.3274 COC1=CC2=C(C=C1)SC(C)=[N+]2C L20949 [0,1,0,1,0,0|2,0,0]=4 301 B14R2.3304 COC1=CC2=C(C=C1)C=C(C=O)N2 Q60396 [0,1,0,1,0,0|1,0,1]=4 302 B14R2.3302 COC1=C(F)C2=C(C=C1)NC(C)=C2 A-716 [0,1,0,1,0,0|2,0,0]=4 303 B14R2.3302 COC1=CN=C2NC(=O)CC2=C1Cl Q56546 [0,1,0,1,0,0|2,0,0]=4 304 B14R2.1815 COC1=CC2=C(C=C1)C(=O)C(=O)N2 P50973 [0,1,0,1,0,0|1,0,1]=4 305 B14R2.1006 O=C(O)CC1=CC=C(C2CC2)C=C1 O28318 [0,1,0,1,0,0|2,0,0]=4 306 B10R1.13 CC(=O)C1=CC=C(F)N=C1 P35858 [1,0,0,0,1,0|2,0,0]=4 307 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 Q67245 [1,0,0,0,1,0|2,0,0]=4 308 B10R1.13 CC(=O)C1=CN=C(C)C=C1 M15462 [1,0,0,0,1,0|1,0,0]=3 309 B10R1.13 CC(=O)C1=CN=C(C)N=C1 H-8030 [1,0,0,0,1,0|2,0,0]=4 310 B10R1.13 CC(=O)C1=CN=C(N)C=C1 Q55451 [1,0,0,0,1,0|2,0,0]=4 311 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 O30755 [1,0,0,0,1,0|2,0,0]=4 312 B10R1.13 CC(=O)C1=NC=C(C)C=C1 O31151 [1,0,0,0,1,0|1,0,0]=3 313 B10R1.13 CC(=O)C1=NC=C(C)C=N1 O31005 [1,0,0,0,1,0|2,0,0]=4 314 B10R1.13 CC(=O)C1=NC=C(C)N=C1 F-4678 [1,0,0,0,1,0|2,0,0]=4 315 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 P34872 [1,0,0,0,1,0|2,0,0]=4 316 B10R1.13 CC(=O)C1=NC=C(F)C=C1 O30491 [1,0,0,0,1,0|2,0,0]=4 317 B10R1.13 CC(=O)C1=NN=C(O)C=C1 P51623 [1,0,0,0,1,0|2,0,0]=4 318 B10R1.13 CC(O)C1=CC=C(O)C=C1 P39467 [1,0,0,0,1,0|0,0,2]=4 319 B10R1.13 CC1=CC=C(C(C)Br)C=C1 M23020 [1,0,0,0,1,0|1,0,1]=4 320 B10R1.13 NC(=O)C1=NC=C(O)C=C1 P44353 [1,0,0,0,1,0|2,0,0]=4 321 B10R1.13 O=C(O)C1=NC=C(O)C=C1 G-6588 [1,0,0,0,1,0|2,0,0]=4 322 B10R1.31 COC1=CSC(C(=O)O)=C1 O30204 [0,0,0,0,2,0|2,0,0]=4 323 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 P35246 [1,0,0,0,0,1|1,0,0]=3 324 B12R1.21 CC(=O)NCC1=NC=C(N)C=C1 O29811 [1,0,0,0,0,1|2,0,0]=4 325 B12R1.21 CC(=O)\C=C\C1=NC=C(C)C=C1 O32130 [1,0,0,0,0,1|1,0,1]=4 326 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 P36503 [1,0,0,0,0,1|1,0,1]=4 327 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 P39657 [1,0,0,0,0,1|1,0,0]=3 328 B12R1.21 CC1=CC=C(OCC(C)N)C=C1 P39024 [1,0,0,0,0,1|1,0,1]=4 329 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 Q60510 [1,0,0,0,0,1|2,0,0]=4 330 B12R1.21 NC(=O)CCC1=CC=C(Br)C=C1 P37285 [1,0,0,0,0,1|2,0,0]=4 331 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 P38386 [1,0,0,0,0,1|2,0,0]=4 332 B12R1.21 NC(=O)CNC1=CC=C(N)C=C1 Q66022 [1,0,0,0,0,1|2,0,0]=4 333 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 P37247 [1,0,0,0,0,1|2,0,0]=4 334 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 N24618 [1,0,0,0,0,1|2,0,0]=4 335 B12R1.21 O=C(Cl)CSC1=CC=C(F)C=C1 L19955 [1,0,0,0,0,1|2,0,0]=4 336 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 P38000 [1,0,0,0,0,1|2,0,0]=4 337 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 P40757 [1,0,0,0,0,1|2,0,0]=4 338 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 P41622 [1,0,0,0,0,1|2,0,0]=4 339 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 P37505 [1,0,0,0,0,1|2,0,0]=4 340 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 P38616 [1,0,0,0,0,1|2,0,0]=4 341 B12R1.438 COC1=CC(CC(C)=O)=CC=C1 P38947 [0,0,0,0,1,1|0,0,0]=2 342 B12R1.438 COC1=CC=CC(CC(=O)O)=N1 S72733 [0,0,0,0,1,1|2,0,0]=4 343 B12R1.438 COC1=CC=CC(CC(C)=O)=N1 Q58463 [0,0,0,0,1,1|1,0,0]=3 344 B14R1.4 CCC1=CC=C(OCCC(=O)O)C=C1 M23358 [0,0,0,0,0,2|2,0,0]=4 345 B14R1.4 COC1=CC=C(CCNC(C)C)C=C1 P35483 [0,0,0,0,0,2|1,0,1]=4 346 B14R1.4 COC1=CC=C(CNCC(=O)O)C=C1 P39864 [0,0,0,0,0,2|1,0,0]=3