0 B14R1.686 NC(CC1=CC(O)=C(O)C=C1)B(O)O DY442660 [0,0,0,0,0,0|1,0,1]=2 1 B14R1.686 N[C@@H](CC1=CC(Br)=C(O)C=C1)C(=O)O DY552519 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.686 N[C@@H](CC1=CC(Cl)=C(Cl)C=C1)C(=O)O NO21669 [0,0,0,0,0,0|2,0,0]=2 3 B14R1.686 N[C@H](CC1=CC(Cl)=C(Cl)C=C1)C(=O)O NO21667 [0,0,0,0,0,0|2,0,0]=2 4 B13R1.133 CC(Oc1ccc(O)cc1)C(=O)O DY566757 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.133 CC1=CC=C(SC(C)C(=O)O)C=C1 DY601507 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.133 Cc1ccc(CC(N)C(=O)O)cc1 DY555471 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O DY703045 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.133 N[13C@@H]([13CH2][13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1)[13C](=O)O DY454737 [1,0,0,0,0,0|0,0,0]=1 9 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O NO10882 [1,0,0,0,0,0|1,0,0]=2 10 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O NO10886 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O NO22841 [1,0,0,0,0,0|1,0,0]=2 12 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O NO10887 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O NO19180 [1,0,0,0,0,0|0,0,0]=1 14 B13R1.133 N[C@@H](Cc1ccc(Cl)cc1)C(=O)O DY436856 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O NO10883 [1,0,0,0,0,0|1,0,0]=2 16 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O DY428053 [1,0,0,0,0,0|1,0,0]=2 17 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O NO19139 [1,0,0,0,0,0|0,0,0]=1 18 B13R1.133 Nc1ccc(C[C@H](N)C(=O)O)cc1 DY436187 [1,0,0,0,0,0|1,0,0]=2 19 B13R1.133 O=C(O)C(=O)CC1=CC=C(Cl)C=C1 DY551097 [1,0,0,0,0,0|2,0,1]=4 20 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(=O)O NO14986 [1,0,0,0,0,0|1,0,0]=2 21 B13R1.148 NC(CC1=CC(I)=CC=C1)C(=O)O DY702859 [1,0,0,0,0,0|1,0,0]=2 22 B13R1.148 N[C@@H](CC1=CC(Br)=CC=C1)C(=O)O DY20846 [1,0,0,0,0,0|1,0,0]=2 23 B13R1.148 N[C@@H](Cc1cccc(O)c1)C(=O)O DY561945 [1,0,0,0,0,0|0,0,0]=1 24 B13R1.511 CC1=C(C)C=C(OCC(=O)O)C=C1 DY518145 [1,0,0,0,0,0|3,0,0]=4 25 B13R1.511 O=C(O)CCC1=CC(F)=C(Cl)C=C1 NO13209 [1,0,0,0,0,0|2,0,0]=3 26 B13R1.511 O=C(O)CCC1=CC(F)=C(F)C=C1 DY40201 [1,0,0,0,0,0|2,0,0]=3 27 B15R1.5521 COC(=O)[C@@H](N)CC1=CC(I)=C(O)C=C1 DY702877 [0,1,0,0,0,0|1,0,0]=2 28 B15R1.5521 COC(=O)[C@@H](N)Cc1ccc(Cl)c(Cl)c1 DY439085 [0,1,0,0,0,0|2,0,0]=3 29 B15R1.8394 N[C@@H](CC1=C(O)C=C(O)C(O)=C1)C(=O)O DY793299 [0,1,0,0,0,0|0,0,0]=1 30 B15R1.28955 NC(CC1=CC(F)=C(F)C(F)=C1)C(=O)O NO17935 [0,1,0,0,0,0|2,0,0]=3 31 B15R1.28955 NC(CC1=CC(I)=C(O)C(I)=C1)C(=O)O DY113502 [0,1,0,0,0,0|1,0,0]=2 32 B15R2.1102 O=C(O)C1=CC2=CC(O)=C(O)C=C2N1 NO16586 [0,0,0,1,0,0|0,0,2]=3 33 B15R2.18974 O=C(O)[C@@H]1C[C@H]1C2=CC(F)=C(F)C=C2 DY541599 [0,0,0,1,0,0|3,0,0]=4 34 B15R1.883 N[C@@H](CC(=O)O)CC1=CC(F)=C(F)C=C1 NO11081 [0,0,0,0,0,1|2,0,0]=3 35 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 NO14964 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 NO21832 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 NO15944 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 NO17825 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 DY584672 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 DY451168 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 NO21674 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 NO19854 [2,0,0,0,0,0|1,0,0]=3 43 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 NO21107 [2,0,0,0,0,0|0,0,0]=2 44 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 DY535089 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 NO15820 [2,0,0,0,0,0|0,0,2]=4 46 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O DY20809 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.43 NC(=O)C(N)Cc1ccccc1 DY438080 [2,0,0,0,0,0|1,0,0]=3 48 B12R1.43 NC(CC1=CC=CC=C1)B(O)O DY442654 [2,0,0,0,0,0|1,0,1]=4 49 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O NO18748 [2,0,0,0,0,0|0,0,0]=2 50 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O NO18803 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O DY703735 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O NO15443 [2,0,0,0,0,0|0,0,0]=2 53 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O NO21178 [2,0,0,0,0,0|0,0,0]=2 54 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O DY20764 [2,0,0,0,0,0|1,0,0]=3 55 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 DY624949 [2,0,0,0,0,0|1,0,0]=3 56 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 NO21095 [2,0,0,0,0,0|1,0,0]=3 57 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 NO15800 [2,0,0,0,0,0|1,0,0]=3 58 B12R1.43 [15NH2]C(CC1=CC=CC=C1)C(=O)O DY454731 [2,0,0,0,0,0|0,0,0]=2 59 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 DY796635 [2,0,0,0,0,0|0,0,1]=3 60 B12R1.50 N[C@H](CO)CC1=CC(Cl)=CC=C1 DY624403 [2,0,0,0,0,0|1,0,1]=4 61 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 DY457048 [2,0,0,0,0,0|2,0,0]=4 62 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 NO21658 [2,0,0,0,0,0|1,0,0]=3 63 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 NO13948 [2,0,0,0,0,0|1,0,0]=3 64 B12R1.226 O=C(O)COC1=CC(Br)=CC=C1 DY532971 [2,0,0,0,0,0|2,0,0]=4 65 B12R1.385 O=CCCC1=CC(Br)=C(F)C=C1 DY513777 [2,0,0,0,0,0|2,0,0]=4 66 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 NO20953 [2,0,0,0,0,0|1,0,1]=4 67 B14R1.3 COC1=CC=C(CC(C)C(=O)O)C=C1 DY745957 [1,1,0,0,0,0|1,0,0]=3 68 B14R1.3 COC1=CC=C(OC(C)C(=O)O)C=C1 NO11953 [1,1,0,0,0,0|2,0,0]=4 69 B14R1.3 COC1=CC=C(OC(C)C(=O)O)C=C1 NO20083 [1,1,0,0,0,0|2,0,0]=4 70 B14R1.3 N#CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 NO14056 [1,1,0,0,0,0|1,0,0]=3 71 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 DY703465 [1,1,0,0,0,0|1,0,0]=3 72 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(C)C=C1 DY628413 [1,1,0,0,0,0|2,0,0]=4 73 B14R1.134 COC(=O)[C@H](N)Cc1ccc(O)cc1 NO14225 [1,1,0,0,0,0|0,0,0]=2 74 B14R1.6049 N[C@H](CC1=C(Cl)C=C(Cl)C=C1)C(=O)O NO13525 [1,1,0,0,0,0|1,0,0]=3 75 B14R1.7626 CC(C)(CC1=CC=C(F)C=C1)C(=O)O NO16851 [1,1,0,0,0,0|2,0,0]=4 76 B14R1.75 COC1=CC=CC(C[C@@H](N)C(=O)O)=C1 NO13718 [1,1,0,0,0,0|0,0,0]=2 77 B14R1.75 COC1=CC=CC(C[C@H](N)C(=O)O)=C1 NO14166 [1,1,0,0,0,0|0,0,0]=2 78 B14R1.75 N#Cc1cccc(CC(N)C(=O)O)c1 DY439331 [1,1,0,0,0,0|1,0,0]=3 79 B14R1.135 COC(=O)[C@@H](N)CC1=CC(O)=CC=C1 DY549825 [1,1,0,0,0,0|0,0,0]=2 80 B14R1.135 COC(=O)[C@H](N)Cc1cccc(F)c1 DY437013 [1,1,0,0,0,0|1,0,0]=3 81 B14R1.150 CC1=CC([C@H](N)[C@H](O)C(=O)O)=CC=C1 DY700945 [1,1,0,0,0,0|2,0,0]=4 82 B14R1.153 CC1=CC=CC(C[C@H](N)C(=O)O)=C1C DY701611 [1,1,0,0,0,0|1,0,0]=3 83 B14R1.153 NC(CC1=C(O)C(O)=CC=C1)C(=O)O DY702871 [1,1,0,0,0,0|0,0,0]=2 84 B14R1.4257 N[C@@H](CC1=CC(O)=CC(O)=C1)C(=O)O DY702745 [1,1,0,0,0,0|0,0,0]=2 85 B14R1.4257 N[C@H](Cc1cc(F)cc(F)c1)C(=O)O DY439343 [1,1,0,0,0,0|1,0,0]=3 86 B14R1.4404 C[C@](N)(CC1=CC(O)=CC=C1)C(=O)O DY547503 [1,1,0,0,0,0|0,0,0]=2 87 B14R1.4474 CC1=C(C[C@H](N)C(=O)O)C=C(I)C=C1 DY521181 [1,1,0,0,0,0|1,0,0]=3 88 B14R1.4474 NC(CC1=C(F)C=CC(F)=C1)C(=O)O DY702853 [1,1,0,0,0,0|1,0,0]=3 89 B14R1.42 COC1=C(C)C=CC(CCC(=O)O)=C1 DY613496 [1,1,0,0,0,0|1,0,0]=3 90 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 NO11068 [1,1,0,0,0,0|0,0,2]=4 91 B14R1.3653 COC1=C(F)C=C(CCC(=O)O)C=C1 DY461076 [1,1,0,0,0,0|1,0,0]=3 92 B14R1.15552 O=C(O)COC1=CC(Br)=C(O)C(Br)=C1 DY747025 [1,1,0,0,0,0|2,0,0]=4 93 B14R1.3652 COC1=C(Cl)C=C(C(N)C(=O)O)C=C1 DY703633 [0,1,0,0,1,0|1,0,0]=3 94 B16R1.4274 COC1=C(OC)C=C(C[C@@H](N)C(=O)O)C=C1 DY701623 [0,2,0,0,0,0|0,0,0]=2 95 B16R1.4274 COC1=C(OC)C=C(C[C@H](N)C(=O)O)C=C1 DY21035 [0,2,0,0,0,0|0,0,0]=2 96 B16R1.4274 COC1=C(OC)C=C(C[C@H](N)C(=O)O)C=C1 NO10080 [0,2,0,0,0,0|0,0,0]=2 97 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 DY576957 [1,0,0,1,0,0|2,0,0]=4 98 B14R2.4529 O=C(O)C1CC2=C(C=C(Cl)C=C2)O1 DY751201 [1,0,0,1,0,0|2,0,0]=4 99 B14R2.4529 O=C(O)C1CC2=CC=C(Br)C=C2N1 DY708877 [1,0,0,1,0,0|1,0,0]=3 100 B14R2.4529 O=C(O)C1CC2=CC=C(F)C=C2C1 DY446704 [1,0,0,1,0,0|2,0,0]=4 101 B14R2.4476 O=C(O)C1CC1C2=CC(Br)=CC=C2 DY579585 [1,0,0,1,0,0|2,0,0]=4 102 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)C2 DY751267 [1,0,0,1,0,0|2,0,0]=4 103 B14R2.29369 NC1CCC2=C(O)C(O)=CC=C2C1 DY766931 [1,0,0,1,0,0|1,0,1]=4 104 B16R2.133342 O=C1OC2=C(O)C(O)=CC=C2C(O)C1O DY771045 [0,1,0,1,0,0|1,0,0]=3 105 B16R2.6257 N[C@@H](CC1=CC2=C(C=C1)OCO2)C(=O)O DY548487 [0,1,0,1,0,0|0,0,0]=2 106 B12R1.20 CC(C(=O)O)C1=CC=C(I)C=C1 DY550107 [1,0,0,0,1,0|2,0,0]=4 107 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 DY461262 [1,0,0,0,1,0|2,0,0]=4 108 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 DY585041 [1,0,0,0,1,0|1,0,0]=3 109 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 NO20887 [1,0,0,0,1,0|1,0,0]=3 110 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 NO19207 [1,0,0,0,1,0|1,0,0]=3 111 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 DY581289 [1,0,0,0,1,0|0,0,0]=2 112 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 NO10846 [1,0,0,0,1,0|1,0,0]=3 113 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 DY20331 [1,0,0,0,1,0|1,0,0]=3 114 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 NO15576 [1,0,0,0,1,0|1,0,0]=3 115 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 NO21023 [1,0,0,0,1,0|0,0,0]=2 116 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 DY460716 [1,0,0,0,1,0|1,0,0]=3 117 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 DY822085 [1,0,0,0,1,0|1,0,0]=3 118 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 NO20354 [1,0,0,0,1,0|2,0,0]=4 119 B12R1.225 CC(C(=O)O)C1=CC(Br)=CC=C1 NO14817 [1,0,0,0,1,0|2,0,0]=4 120 B12R1.225 CC1=CC(C(F)C(=O)O)=CC=C1 DY525255 [1,0,0,0,1,0|2,0,0]=4 121 B12R1.225 CC1=CC=CC([C@H](C)C(=O)O)=C1 DY586092 [1,0,0,0,1,0|2,0,0]=4 122 B12R1.225 NC(C(=O)O)C1=CC(Br)=CC=C1 DY584613 [1,0,0,0,1,0|1,0,0]=3 123 B12R1.225 N[C@@H](C(=O)O)c1cccc(Cl)c1 DY544773 [1,0,0,0,1,0|1,0,0]=3 124 B12R1.225 O=C(O)C(O)C1=CC(F)=CC=C1 NO13705 [1,0,0,0,1,0|2,0,0]=4 125 B12R1.225 O=C(O)[C@H](O)C1=CC(Cl)=CC=C1 DY563121 [1,0,0,0,1,0|2,0,0]=4 126 B14R1.5978 N[C@H](CC(=O)O)CC1=CC(Cl)=CC=C1 DY700122 [1,0,0,0,0,1|1,0,0]=3