0 B11R1.35 C[C@@H](NC1=CC=CO1)C(=O)O 29837 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.35 C[C@H](NC1=CC=CO1)C(=O)O 29836 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.35 NC(CC1=CC=CS1)C(=O)O 34969 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O 18715 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O 18929 [0,0,0,0,0,0|0,0,2]=2 5 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O 35496 [0,0,0,0,0,0|0,0,2]=2 6 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O 29873 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.35 N[C@@H](Cc1cscn1)C(=O)O 29901 [0,0,0,0,0,0|1,0,1]=2 8 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O 18712 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O 12316 [0,0,0,0,0,0|0,0,2]=2 10 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O 29874 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.35 N[C@H](Cc1cscn1)C(=O)O 29902 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.27 N[C@H](C=O)CC1=CNC=N1 24984 [1,0,0,0,0,0|0,0,2]=3 13 B10R1.66 O=C(O)CCc1cccs1 23928 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.104 N[C@@H](Cc1ccc(Br)s1)C(=O)O 29917 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.104 N[C@H](Cc1ccc(Br)s1)C(=O)O 29918 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.108 COC(=O)[C@@H](N)CC1=CNC=N1 10904 [0,1,0,0,0,0|0,0,2]=3 17 B12R1.108 COC(=O)[C@H](N)CC1=CNC=N1 25948 [0,1,0,0,0,0|0,0,2]=3 18 B12R1.108 COC(=O)[C@H](N)CC1=CNC=N1 25949 [0,1,0,0,0,0|0,0,2]=3 19 B10R1.23 CC(C(=O)O)N1C=CN=C1 8051 [0,0,0,0,1,0|3,0,0]=4 20 B10R1.23 NC(C(=O)O)C1=CC=CO1 35017 [0,0,0,0,1,0|2,0,0]=3 21 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 29908 [0,0,0,0,1,0|2,0,0]=3 22 B10R1.23 N[C@@H](C(=O)O)c1ccsc1 29914 [0,0,0,0,1,0|2,0,0]=3 23 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 29907 [0,0,0,0,1,0|2,0,0]=3 24 B10R1.23 N[C@H](C(=O)O)c1ccsc1 29913 [0,0,0,0,1,0|2,0,0]=3 25 B10R1.23 O=C(O)C(O)C1=CC=CS1 23764 [0,0,0,0,1,0|3,0,0]=4 26 B12R1.43 C[C@H](NC1=NC=CN=C1)C(=O)O 17990 [0,0,0,0,0,1|2,0,1]=4 27 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 20603 [0,0,0,0,0,1|3,0,0]=4 28 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 19011 [0,0,0,0,0,1|3,0,0]=4 29 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 2375 [0,0,0,0,0,1|2,0,0]=3 30 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O 21965 [0,0,0,0,0,1|1,0,0]=2 31 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 11004 [0,0,0,0,0,1|2,0,0]=3 32 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 18595 [0,0,0,0,0,1|2,0,0]=3 33 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 20966 [0,0,0,0,0,1|1,0,0]=2 34 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 24900 [0,0,0,0,0,1|1,0,0]=2 35 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 20967 [0,0,0,0,0,1|1,0,0]=2 36 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O 5696 [0,0,0,0,0,1|1,0,1]=3 37 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 10975 [0,0,0,0,0,1|2,0,0]=3 38 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O 15910 [0,0,0,0,0,1|1,0,0]=2 39 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O 29810 [0,0,0,0,0,1|1,0,0]=2 40 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 10725 [0,0,0,0,0,1|3,0,0]=4 41 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 6413 [0,0,0,0,0,1|3,0,0]=4 42 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 6414 [0,0,0,0,0,1|3,0,0]=4 43 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O 13169 [1,0,1,0,0,0|1,0,1]=4 44 B9R0.42 CNC(=O)C[C@H](N)C(=O)O 13168 [1,0,1,0,0,0|1,0,1]=4 45 B9R1.12 OCCCC1=CN=CN1 34910 [2,0,0,0,0,0|0,0,1]=3 46 B11R1.25 COC(=O)CCC1=CC=CS1 16785 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.89 CN1C=CN=C1C(N)C(=O)O 9265 [0,1,0,0,1,0|2,0,0]=4 48 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29803 [0,1,0,0,0,1|2,0,0]=4 49 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 29802 [0,1,0,0,0,1|2,0,0]=4 50 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 14882 [0,1,0,0,0,1|2,0,0]=4 51 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O 14881 [0,1,0,0,0,1|2,0,0]=4 52 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O 19059 [0,1,0,0,0,1|2,0,0]=4 53 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29898 [0,1,0,0,0,1|2,0,0]=4 54 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 12019 [0,1,0,0,0,1|2,0,0]=4 55 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 13161 [0,1,0,0,0,1|2,0,0]=4 56 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 18012 [0,1,0,0,0,1|2,0,0]=4 57 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 17995 [0,1,0,0,0,1|2,0,0]=4 58 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 23297 [0,1,0,0,0,1|2,0,0]=4 59 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17502 [0,1,0,0,0,1|2,0,0]=4 60 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17965 [0,1,0,0,0,1|2,0,0]=4 61 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 12040 [0,1,0,0,0,1|2,0,0]=4 62 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 14347 [0,1,0,0,0,1|2,0,0]=4 63 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 18011 [0,1,0,0,0,1|2,0,0]=4 64 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 23285 [0,1,0,0,0,1|2,0,0]=4 65 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 12305 [0,1,0,0,0,1|2,0,0]=4 66 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 23298 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O 12021 [0,1,0,0,0,1|2,0,0]=4 68 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O 18647 [0,1,0,0,0,1|2,0,0]=4 69 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O 13030 [0,1,0,0,0,1|2,0,0]=4 70 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 10882 [0,1,0,0,0,1|2,0,0]=4 71 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 10883 [0,1,0,0,0,1|2,0,0]=4 72 B13R1.148 CC1=CC(C[C@@H](N)C(=O)O)=CC=C1 18697 [0,1,0,0,0,1|2,0,0]=4 73 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CC=C1 18698 [0,1,0,0,0,1|2,0,0]=4 74 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O 19382 [0,1,0,0,0,1|2,0,0]=4 75 B13R1.148 NC1=CC=CC(C[C@@H](N)C(=O)O)=C1 30184 [0,1,0,0,0,1|2,0,0]=4 76 B13R1.148 NC1=CC=CC(C[C@H](N)C(=O)O)=C1 30186 [0,1,0,0,0,1|2,0,0]=4 77 B13R1.148 N[C@@H](CC1=CC(Br)=CC=C1)C(=O)O 18010 [0,1,0,0,0,1|2,0,0]=4 78 B13R1.148 N[C@@H](CC1=CC(Br)=CC=C1)C(=O)O 18643 [0,1,0,0,0,1|2,0,0]=4 79 B13R1.148 N[C@@H](CC1=CC(Cl)=CC=C1)C(=O)O 11978 [0,1,0,0,0,1|2,0,0]=4 80 B13R1.148 N[C@@H](CC1=CC(Cl)=CC=C1)C(=O)O 17992 [0,1,0,0,0,1|2,0,0]=4 81 B13R1.148 N[C@@H](CC1=CC(F)=CC=C1)C(=O)O 17964 [0,1,0,0,0,1|2,0,0]=4 82 B13R1.148 N[C@H](CC1=CC(Br)=CC=C1)C(=O)O 18009 [0,1,0,0,0,1|2,0,0]=4 83 B13R1.148 N[C@H](CC1=CC(Br)=CC=C1)C(=O)O 24700 [0,1,0,0,0,1|2,0,0]=4 84 B13R1.148 N[C@H](CC1=CC(Cl)=CC=C1)C(=O)O 11977 [0,1,0,0,0,1|2,0,0]=4 85 B13R1.148 N[C@H](CC1=CC(F)=CC=C1)C(=O)O 17963 [0,1,0,0,0,1|2,0,0]=4 86 B13R1.202 CC1=C(C[C@@H](N)C(=O)O)C=CC=C1 29793 [0,1,0,0,0,1|2,0,0]=4 87 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 29792 [0,1,0,0,0,1|2,0,0]=4 88 B13R1.202 NC1=C(C[C@@H](N)C(=O)O)C=CC=C1 30192 [0,1,0,0,0,1|2,0,0]=4 89 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O 18007 [0,1,0,0,0,1|2,0,0]=4 90 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O 11960 [0,1,0,0,0,1|2,0,0]=4 91 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O 29772 [0,1,0,0,0,1|2,0,0]=4 92 B13R1.202 N[C@H](CC1=C(Br)C=CC=C1)C(=O)O 17997 [0,1,0,0,0,1|2,0,0]=4 93 B13R1.202 N[C@H](CC1=C(Cl)C=CC=C1)C(=O)O 11958 [0,1,0,0,0,1|2,0,0]=4 94 B13R1.202 N[C@H](CC1=C(Cl)C=CC=C1)C(=O)O 17991 [0,1,0,0,0,1|2,0,0]=4 95 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O 23304 [0,1,0,0,0,1|2,0,0]=4 96 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O 29773 [0,1,0,0,0,1|2,0,0]=4 97 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O 22317 [0,1,0,0,0,1|2,0,0]=4 98 B13R1.1073 C[C@@](N)(Cc1ccccc1)C(=O)O 29931 [0,1,0,0,0,1|2,0,0]=4 99 B13R1.1073 C[C@](N)(Cc1ccccc1)C(=O)O 29930 [0,1,0,0,0,1|2,0,0]=4 100 B13R1.134 COC(=O)[C@@H](N)CC1=CN(C)C=N1 34973 [0,2,0,0,0,0|0,0,2]=4 101 B11R1.74 O=C1CC(C(=O)O)NC(=O)N1 12669 [0,0,1,1,0,0|2,0,0]=4 102 B13R2.369 NC1CC2=CN=CC=C2NC1=O 17876 [0,0,0,1,0,1|2,0,0]=4 103 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 3035 [0,0,0,1,0,1|2,0,0]=4 104 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 6053 [0,0,0,1,0,1|2,0,0]=4 105 B13R2.435 O=C(O)[C@H]1CC2=CC=CC=C2N1 20604 [0,0,0,1,0,1|2,0,0]=4 106 B13R2.430 O=C(O)C1CCC2=C(C1)N=CN2 25815 [0,0,0,1,0,1|1,0,0]=3 107 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [1,0,0,0,0,1|2,0,0]=4 108 B11R1.91 O=C(O)CCC1=CC=CN=C1 8701 [1,0,0,0,0,1|1,0,0]=3 109 B11R1.91 O=C(O)COC1=CC=NC=C1 34778 [1,0,0,0,0,1|2,0,0]=4 110 B11R1.172 O=C(O)CCCC1=CC=CS1 34947 [1,0,0,0,0,1|2,0,0]=4 111 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 24324 [0,0,0,0,0,2|2,0,0]=4 112 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 13855 [0,0,0,0,0,2|2,0,0]=4 113 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O 11932 [0,0,0,0,0,2|2,0,0]=4 114 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O 19031 [0,0,0,0,0,2|2,0,0]=4 115 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O 11884 [0,0,0,0,0,2|2,0,0]=4 116 B13R1.351 N[C@H](CCc1ccccc1)C(=O)O 30241 [0,0,0,0,0,2|2,0,0]=4