0 B11R1.35 NC(CC1=CNN=C1)C(=O)O Q57381 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.35 NC(CC1=CNN=C1)C(=O)O Q57382 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.35 NC(CC1=CSC=C1)C(=O)O O27897 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.35 NC(CC1=CSC=N1)C(=O)O P41158 [0,0,0,0,0,0|1,0,1]=2 4 B11R1.35 NC(CN1C=CC=N1)C(=O)O P39090 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.35 NC(CN1C=NC=N1)C(=O)O P42563 [0,0,0,0,0,0|1,0,1]=2 6 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O O28616 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O O28900 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O O28846 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O O28615 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O O28680 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O O28617 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.35 N[C@H](CC1=CSC=N1)C(=O)O O28904 [0,0,0,0,0,0|1,0,1]=2 13 B11R1.35 O=C(O)[C@H](O)CC1=CC=CS1 P35098 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.27 N[C@@H](CO)CC1=CNC=N1 P36246 [1,0,0,0,0,0|0,0,3]=4 15 B10R1.27 N[C@H](CO)CC1=CNC=N1 P40873 [1,0,0,0,0,0|0,0,3]=4 16 B10R1.66 O=C(O)CCC1=CNC=N1 O30645 [1,0,0,0,0,0|0,0,2]=3 17 B10R1.66 O=C(O)CCC1=CNN=C1 Q60485 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.66 O=C(O)CCC1=CSC=C1 P40765 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.66 O=C(O)CCN1C=CC=C1 P35344 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.66 O=C(O)CCN1C=CC=N1 P35313 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.66 O=C(O)CCN1C=CN=C1 P40203 [1,0,0,0,0,0|2,0,0]=3 22 B12R1.104 CN1C=C(CC(N)C(=O)O)C=N1 Q63774 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.104 CN1C=C(C[C@@H](N)C(=O)O)C=N1 Q63775 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.104 CN1C=C(C[C@H](N)C(=O)O)C=N1 Q63776 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.104 NC(CC1=CC=C(Br)S1)C(=O)O P37150 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.104 NC(CC1=CC=C(Cl)S1)C(=O)O O28665 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.104 N[C@@H](CC1=CC(Br)=CS1)C(=O)O O28746 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.104 N[C@@H](CC1=CC=C(Br)S1)C(=O)O O28860 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.104 N[C@@H](CC1=CC=C(Cl)S1)C(=O)O O28487 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.104 N[C@H](CC1=CC=C(Br)S1)C(=O)O O28780 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.145 CC1=C(CC(N)C(=O)O)SC=C1 O28664 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.145 CC1=C(C[C@H](N)C(=O)O)SC=C1 O28484 [0,1,0,0,0,0|2,0,0]=3 33 B12R2.252 O=C(O)C1=CC2=C(N=CS2)N1 O33267 [0,0,0,1,0,0|1,0,2]=4 34 B10R1.23 NC(C(=O)O)C1=CC=CO1 P40590 [0,0,0,0,1,0|2,0,0]=3 35 B10R1.23 NC(C(=O)O)C1=CC=CS1 O28791 [0,0,0,0,1,0|2,0,0]=3 36 B10R1.23 NC(C(=O)O)C1=CSC=C1 P38413 [0,0,0,0,1,0|2,0,0]=3 37 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 G-7084 [0,0,0,0,1,0|2,0,0]=3 38 B10R1.23 N[C@@H](C(=O)O)C1=CSC=C1 P42365 [0,0,0,0,1,0|2,0,0]=3 39 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 P36827 [0,0,0,0,1,0|2,0,0]=3 40 B10R1.23 N[C@H](C(=O)O)C1=CSC=C1 P42364 [0,0,0,0,1,0|2,0,0]=3 41 B12R1.43 CC(CC1=CC=CN=C1)C(=O)O P43046 [0,0,0,0,0,1|2,0,0]=3 42 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Q60576 [0,0,0,0,0,1|2,0,0]=3 43 B12R1.43 CC(CC1=NC=CC=C1)C(=O)O P43045 [0,0,0,0,0,1|2,0,1]=4 44 B12R1.43 CC(CC1=NC=CC=N1)C(=O)O Q60744 [0,0,0,0,0,1|2,0,1]=4 45 B12R1.43 CC(CC1=NC=NC=C1)C(=O)O Q60710 [0,0,0,0,0,1|1,0,1]=3 46 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O Q63780 [0,0,0,0,0,1|0,0,1]=2 47 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P36885 [0,0,0,0,0,1|1,0,0]=2 48 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P43169 [0,0,0,0,0,1|1,0,0]=2 49 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O P38459 [0,0,0,0,0,1|1,0,0]=2 50 B12R1.43 N[C@@H](CC1=CN=CN=C1)C(=O)O Q63782 [0,0,0,0,0,1|0,0,1]=2 51 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O P38458 [0,0,0,0,0,1|1,0,1]=3 52 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O P36517 [0,0,0,0,0,1|1,0,0]=2 53 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O O27942 [0,0,0,0,0,1|1,0,0]=2 54 B12R1.43 N[C@H](CC1=CN=CN=C1)C(=O)O Q63781 [0,0,0,0,0,1|0,0,1]=2 55 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O P38457 [0,0,0,0,0,1|1,0,1]=3 56 B9R0.47 C=CCCC[C@@H](N)C(=O)O P42940 [1,0,1,0,0,0|1,0,1]=4 57 B9R0.47 C=CCCC[C@H](N)C(=O)O P40720 [1,0,1,0,0,0|1,0,1]=4 58 B11R1.75 NC1=NC(CCC(=O)O)=CS1 L20919 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.77 CC(CC(=O)O)N1C=CN=C1 L19069 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.77 NC(CC(=O)O)C1=CC=CS1 P40323 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.77 NC(CC(=O)O)C1=CSC=C1 M22979 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.90 CN1C=NN=C1CCC(=O)O P44464 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.90 CN1N=CC=C1CCC(=O)O P43205 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.89 CC1=C(C(N)C(=O)O)SC=C1 O28764 [0,1,0,0,1,0|2,0,0]=4 65 B11R1.314 CC1=CC=C(C(N)C(=O)O)S1 O28750 [0,1,0,0,1,0|2,0,0]=4 66 B11R1.314 CN1C=C(C(N)C(=O)O)C=N1 Q63755 [0,1,0,0,1,0|2,0,0]=4 67 B11R1.314 CN1C=C([C@@H](N)C(=O)O)C=N1 Q63756 [0,1,0,0,1,0|2,0,0]=4 68 B11R1.314 CN1C=C([C@H](N)C(=O)O)C=N1 Q63757 [0,1,0,0,1,0|2,0,0]=4 69 B11R1.314 NC(C(=O)O)C1=CC=C(Cl)S1 O28483 [0,1,0,0,1,0|2,0,0]=4 70 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 10746 [0,1,0,0,0,1|2,0,0]=4 71 B13R1.135 COC(=O)C(N)CC1=NC=CC=C1 P43149 [0,1,0,0,0,1|1,0,1]=4 72 B13R1.148 CC1=CC(C[C@@H](N)C(=O)O)=CC=C1 P42532 [0,1,0,0,0,1|2,0,0]=4 73 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CC=C1 P42534 [0,1,0,0,0,1|2,0,0]=4 74 B13R1.148 NC(CC1=CC=CC(I)=C1)C(=O)O O28939 [0,1,0,0,0,1|2,0,0]=4 75 B13R1.148 N[C@@H](CC1=CC=CC(I)=C1)C(=O)O P39861 [0,1,0,0,0,1|2,0,0]=4 76 B13R1.148 N[C@@H](CC1=CC=CC(O)=C1)C(=O)O M15660 [0,1,0,0,0,1|2,0,0]=4 77 B13R1.148 N[C@H](CC1=CC=CC(I)=C1)C(=O)O P42108 [0,1,0,0,0,1|2,0,0]=4 78 B13R1.148 N[C@H](CC1=CC=CC(O)=C1)C(=O)O O28389 [0,1,0,0,0,1|2,0,0]=4 79 B13R1.202 CC1=CC=CC=C1C[C@@H](N)C(=O)O O28101 [0,1,0,0,0,1|2,0,0]=4 80 B13R1.202 NC(CC1=CC=CC=C1I)C(=O)O O28928 [0,1,0,0,0,1|2,0,0]=4 81 B13R1.202 NC(CC1=CC=CC=C1O)C(=O)O P39476 [0,1,0,0,0,1|2,0,0]=4 82 B13R1.202 NC1=CC=CC=C1CC(N)C(=O)O P40491 [0,1,0,0,0,1|2,0,0]=4 83 B13R1.202 NC1=CC=CC=C1C[C@@H](N)C(=O)O P38558 [0,1,0,0,0,1|2,0,0]=4 84 B13R1.202 N[C@@H](CC1=CC=CC=C1I)C(=O)O P40681 [0,1,0,0,0,1|2,0,0]=4 85 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O P36335 [0,1,0,0,0,1|2,0,0]=4 86 B13R1.202 N[C@H](CC1=CC=CC=C1I)C(=O)O P36365 [0,1,0,0,0,1|2,0,0]=4 87 B13R1.202 N[C@H](CC1=CC=CC=C1O)C(=O)O P39452 [0,1,0,0,0,1|2,0,0]=4 88 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O P39307 [0,1,0,0,0,1|2,0,0]=4 89 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O P37373 [0,1,0,0,0,1|2,0,0]=4 90 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O O28350 [0,1,0,0,0,1|2,0,0]=4 91 B13R1.418 NCC(CC1=CC=CN=C1)C(=O)O Q58295 [0,1,0,0,0,1|1,0,0]=3 92 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O Q69028 [0,1,0,0,0,1|2,0,0]=4 93 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O Q69030 [0,1,0,0,0,1|2,0,0]=4 94 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O Q69024 [0,1,0,0,0,1|2,0,0]=4 95 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O Q69027 [0,1,0,0,0,1|2,0,0]=4 96 B13R1.1073 CC(C)(CC1=CN=CC=C1)C(=O)O Q60820 [0,1,0,0,0,1|2,0,0]=4 97 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O P42590 [0,1,0,0,0,1|2,0,0]=4 98 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O P39504 [0,1,0,0,0,1|2,0,0]=4 99 B13R1.66 CCOC(=O)[C@@H](N)CC1=CC=CS1 P41170 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.36 NC(C(=O)O)C1=CC=NC=C1 Q63762 [0,0,1,1,0,0|1,0,1]=4 101 B11R1.36 NC(C(=O)O)C1=CN=CN=C1 Q63768 [0,0,1,1,0,0|0,0,2]=4 102 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 Q63763 [0,0,1,1,0,0|1,0,1]=4 103 B11R1.36 N[C@@H](C(=O)O)C1=CN=CN=C1 Q63769 [0,0,1,1,0,0|0,0,2]=4 104 B11R1.36 N[C@H](C(=O)O)C1=CC=NC=C1 Q63764 [0,0,1,1,0,0|1,0,1]=4 105 B11R1.36 N[C@H](C(=O)O)C1=CN=CN=C1 Q63770 [0,0,1,1,0,0|0,0,2]=4 106 B13R2.423 O=C(O)C1CC1C2=CC=NC=C2 Q69973 [0,0,0,1,0,1|2,0,0]=4 107 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CN=C2 H-8208 [0,0,0,1,0,1|2,0,0]=4 108 B13R2.435 O=C(O)C1CC2=C(N=CC=C2)N1 Q52870 [0,0,0,1,0,1|1,0,0]=3 109 B13R2.435 O=C(O)C1CC2=CC=CN=C2C1 L18992 [0,0,0,1,0,1|2,0,0]=4 110 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 Q62630 [0,0,0,1,0,1|2,0,0]=4 111 B13R2.435 O=C(O)[C@H]1CC2=C(C=CC=C2)N1 P34766 [0,0,0,1,0,1|2,0,0]=4 112 B11R1.91 O=C(O)CCC1=CC=CN=C1 P38473 [1,0,0,0,0,1|1,0,0]=3 113 B11R1.91 O=C(O)CCC1=CC=NC=C1 P36936 [1,0,0,0,0,1|1,0,0]=3 114 B11R1.91 O=C(O)CCC1=CC=NN=C1 O33206 [1,0,0,0,0,1|1,0,0]=3 115 B11R1.91 O=C(O)CCC1=NC=CC=C1 P41024 [1,0,0,0,0,1|1,0,1]=4 116 B11R1.91 O=C(O)CCC1=NC=CC=N1 Q60533 [1,0,0,0,0,1|1,0,1]=4 117 B11R1.91 O=C(O)CCC1=NC=NC=C1 Q60531 [1,0,0,0,0,1|0,0,1]=3 118 B11R1.91 O=C(O)CCC1=NN=CC=C1 P45064 [1,0,0,0,0,1|1,0,1]=4 119 B11R1.91 O=C(O)COC1=CC=CN=C1 P35673 [1,0,0,0,0,1|2,0,0]=4 120 B11R1.172 O=C(O)CCCC1=CNN=C1 Q60540 [1,0,0,0,0,1|2,0,0]=4 121 B11R1.172 O=C(O)CCCN1C=CN=C1 P36417 [1,0,0,0,0,1|2,0,0]=4 122 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 O28897 [0,0,0,0,0,2|2,0,0]=4 123 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 P41730 [0,0,0,0,0,2|2,0,0]=4 124 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 Q68980 [0,0,0,0,0,2|2,0,0]=4 125 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 P39247 [0,0,0,0,0,2|2,0,0]=4 126 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 Q68981 [0,0,0,0,0,2|2,0,0]=4