0 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O A46431 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O A46422 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O A43540 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O H60641 [0,0,0,0,0,0|0,0,2]=2 4 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O A46423 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O A43240 [0,0,0,0,0,0|1,0,1]=2 6 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O A46430 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O A46420 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.35 N[C@H](CC1=CN=CN1)C(=O)O A68561 [0,0,0,0,0,0|0,0,0]=0 9 B10R1.27 N[C@H](CO)CC1=CNC=N1 A43557 [1,0,0,0,0,0|0,0,3]=4 10 B10R1.66 O=C(O)CCC1=CC=CN1 P46404 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.66 O=C(O)CCC1=CC=CO1 F46252 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.66 O=C(O)CCC1=CC=CS1 T46244 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.66 O=C(O)CCC1=NC=CN1 I38399 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.66 O=C(O)CCN1C=CC=N1 P67578 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.66 O=C(O)CCN1C=NC=N1 T62377 [1,0,0,0,0,0|1,0,1]=3 16 B12R1.104 N[C@@H](CC1=CC=C(Br)S1)C(=O)O A46138 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.104 N[C@H](CC1=CC=C(Br)S1)C(=O)O A46137 [0,1,0,0,0,0|2,0,0]=3 18 B12R2.252 O=C(O)[C@H]1CC2=NC=CN2C1 D37220 [0,0,0,1,0,0|3,0,0]=4 19 B12R2.252 O=C(O)[C@H]1CC2=NC=CN2C1 D46557 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 A11151 [0,0,0,0,1,0|2,0,0]=3 21 B10R1.23 N[C@@H](C(=O)O)C1=CSC=C1 A43153 [0,0,0,0,1,0|2,0,0]=3 22 B10R1.23 N[C@H](C(=O)O)C1=CSC=C1 A43158 [0,0,0,0,1,0|2,0,0]=3 23 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [0,0,0,0,0,1|3,0,0]=4 24 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [0,0,0,0,0,1|2,0,0]=3 25 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [0,0,0,0,0,1|2,0,0]=3 26 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49500 [0,0,0,0,0,1|1,0,0]=2 27 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49660 [0,0,0,0,0,1|1,0,0]=2 28 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O A49659 [0,0,0,0,0,1|1,0,0]=2 29 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A46684 [0,0,0,0,0,1|1,0,1]=3 30 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O A61463 [0,0,0,0,0,1|1,0,0]=2 31 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O A60776 [0,0,0,0,0,1|1,0,0]=2 32 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [0,0,0,0,0,1|3,0,0]=4 33 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [0,0,0,0,0,1|3,0,0]=4 34 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [0,0,0,0,0,1|3,0,0]=4 35 B9R0.47 C=CCCC[C@H](N)C(=O)O A43841 [1,0,1,0,0,0|1,0,1]=4 36 B9R0.47 C=CCSC[C@@H](N)C(=O)O A41511 [1,0,1,0,0,0|2,0,0]=4 37 B9R0.47 C=CCSC[C@H](N)C(=O)O A36718 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.25 COC(=O)CCC1=CC=CN1 M32114 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.77 N[C@H](CC(=O)O)C1=CC=CS1 A46421 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A69608 [0,1,0,0,0,1|2,0,0]=4 41 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 A69604 [0,1,0,0,0,1|2,0,0]=4 42 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 A50187 [0,1,0,0,0,1|2,0,0]=4 43 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 A68975 [0,1,0,0,0,1|2,0,0]=4 44 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O A68143 [0,1,0,0,0,1|2,0,0]=4 45 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O A68518 [0,1,0,0,0,1|2,0,0]=4 46 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O C61026 [0,1,0,0,0,1|2,0,0]=4 47 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O A52080 [0,1,0,0,0,1|2,0,0]=4 48 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O F67480 [0,1,0,0,0,1|2,0,0]=4 49 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O A67896 [0,1,0,0,0,1|2,0,0]=4 50 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O A52127 [0,1,0,0,0,1|2,0,0]=4 51 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O T60596 [0,1,0,0,0,1|2,0,0]=4 52 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O C37486 [0,1,0,0,0,1|2,0,0]=4 53 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O A49839 [0,1,0,0,0,1|2,0,0]=4 54 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O A52079 [0,1,0,0,0,1|2,0,0]=4 55 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O A68483 [0,1,0,0,0,1|2,0,0]=4 56 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O T64926 [0,1,0,0,0,1|2,0,0]=4 57 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 M69265 [0,1,0,0,0,1|2,0,0]=4 58 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 A52953 [0,1,0,0,0,1|2,0,0]=4 59 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 M52937 [0,1,0,0,0,1|2,0,0]=4 60 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 A52254 [0,1,0,0,0,1|2,0,0]=4 61 B13R1.148 N[C@@H](CC1=CC(O)=CC=C1)C(=O)O A68969 [0,1,0,0,0,1|2,0,0]=4 62 B13R1.148 N[C@@H](CC1=CC(O)=CC=C1)C(=O)O T67429 [0,1,0,0,0,1|2,0,0]=4 63 B13R1.148 N[C@@H](CC1=CC=CC(Br)=C1)C(=O)O A37859 [0,1,0,0,0,1|2,0,0]=4 64 B13R1.148 N[C@@H](CC1=CC=CC(Br)=C1)C(=O)O B67992 [0,1,0,0,0,1|2,0,0]=4 65 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O A61471 [0,1,0,0,0,1|2,0,0]=4 66 B13R1.148 N[C@@H](CC1=CC=CC(F)=C1)C(=O)O F49826 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.148 N[C@H](CC1=CC=CC(Br)=C1)C(=O)O A67546 [0,1,0,0,0,1|2,0,0]=4 68 B13R1.148 N[C@H](CC1=CC=CC(Cl)=C1)C(=O)O A68296 [0,1,0,0,0,1|2,0,0]=4 69 B13R1.148 N[C@H](CC1=CC=CC(F)=C1)C(=O)O A60702 [0,1,0,0,0,1|2,0,0]=4 70 B13R1.202 CC1=C(C[C@@H](N)C(=O)O)C=CC=C1 A52962 [0,1,0,0,0,1|2,0,0]=4 71 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 A52954 [0,1,0,0,0,1|2,0,0]=4 72 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O A61938 [0,1,0,0,0,1|2,0,0]=4 73 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O A49818 [0,1,0,0,0,1|2,0,0]=4 74 B13R1.202 N[C@@H](CC1=C(O)C=CC=C1)C(=O)O A52126 [0,1,0,0,0,1|2,0,0]=4 75 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O A49838 [0,1,0,0,0,1|2,0,0]=4 76 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O M37956 [0,1,0,0,0,1|2,0,0]=4 77 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O A52956 [0,1,0,0,0,1|2,0,0]=4 78 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O A54162 [0,1,0,0,0,1|2,0,0]=4 79 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 K9534 [0,0,0,1,0,1|2,0,0]=4 80 B13R2.430 O=C(O)[C@@H]1CC2=C(CN1)NC=N2 T62183 [0,0,0,1,0,1|1,0,0]=3 81 B13R2.430 O=C(O)[C@H]1CCC2=C(C1)N=CN2 T46687 [0,0,0,1,0,1|1,0,0]=3 82 B13R2.430 O=C(O)[C@H]1CCC2=C(C1)N=CN2 T49502 [0,0,0,1,0,1|1,0,0]=3 83 B11R1.91 O=C(O)CCC1=CN=NC=C1 P60455 [1,0,0,0,0,1|1,0,0]=3 84 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [1,0,0,0,0,1|1,0,1]=4 85 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [1,0,0,0,0,1|2,0,0]=4 86 B11R1.91 O=C(O)COC1=CC=NC=C1 P45840 [1,0,0,0,0,1|2,0,0]=4 87 B11R1.91 O=C(O)COC1=CN=CC=C1 P45834 [1,0,0,0,0,1|2,0,0]=4 88 B11R1.91 O=C(O)CSC1=CC=NC=C1 P68840 [1,0,0,0,0,1|2,0,0]=4 89 B11R1.172 O=C(O)CCCC1=CC=CS1 T69302 [1,0,0,0,0,1|2,0,0]=4 90 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O A38614 [0,0,0,0,0,2|2,0,0]=4 91 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O A61136 [0,0,0,0,0,2|2,0,0]=4