0 B9R0.23 CCC(=O)[C@@H](C)CN(C)C D47174 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.23 COC(=O)[C@@H](C)NC(C)=O M41515 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.23 COC(=O)[C@@H](N)CC(=O)O A36981 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.23 COC(=O)[C@@H](N)CC(C)C M68966 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.23 COC(=O)[C@@H](O)CC(C)C M61122 [0,0,0,0,0,0|0,0,0]=0 5 B9R0.23 COC(=O)[C@H](N)CC(C)C M68964 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.3 C=CC[C@H](N)C(=O)OC M37082 [1,0,0,0,0,0|1,0,2]=4 7 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.9 COC(=O)CCC(=O)Cl C6883 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.9 COC(=O)CCC(=O)O M37827 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [1,0,0,0,0,0|1,0,2]=4 14 B8R0.23 CC(=O)C[C@H](C)C(=O)O M14719 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [1,0,0,0,0,0|1,0,0]=2 16 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [1,0,0,0,0,0|0,0,0]=1 17 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [1,0,0,0,0,0|1,0,0]=2 18 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [1,0,0,0,0,0|0,0,0]=1 20 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC D38517 [0,1,0,0,0,0|2,0,1]=4 21 B10R0.46 COC(=O)C[C@H](N)C(=O)OC A61977 [0,1,0,0,0,0|2,0,1]=4 22 B10R0.46 COC(=O)C[C@H](N)C(=O)OC D68297 [0,1,0,0,0,0|2,0,1]=4 23 B10R0.54 CC[C@@H](NC(C)C)C(=O)OC M47178 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.14 COC(=O)C1CCC(Br)C1 M59847 [0,0,0,1,0,0|2,0,0]=3 25 B10R1.14 COC(=O)C1CCC(N)C1 C13729 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 M66564 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.14 COC(=O)[C@@H]1CC(=O)CO1 M43316 [0,0,0,1,0,0|1,0,1]=3 28 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 M14939 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 M14936 [0,0,0,1,0,0|2,0,0]=3 30 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)C1 M25442 [0,0,0,1,0,0|2,0,0]=3 31 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 M14934 [0,0,0,1,0,0|2,0,0]=3 32 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 M60218 [0,0,0,1,0,0|2,0,0]=3 33 B10R1.14 COC(=O)[C@@H]1C[C@@H](S)CN1 M59855 [0,0,0,1,0,0|2,0,0]=3 34 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 M5733 [0,0,0,1,0,0|2,0,0]=3 35 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 M23511 [0,0,0,1,0,0|2,0,0]=3 36 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 M14938 [0,0,0,1,0,0|2,0,1]=4 37 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 O3033 [0,0,0,1,0,0|2,0,1]=4 38 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 M14935 [0,0,0,1,0,0|2,0,0]=3 39 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 M15680 [0,0,0,1,0,0|2,0,0]=3 40 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 M14937 [0,0,0,1,0,0|2,0,0]=3 41 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 M19877 [0,0,0,1,0,0|2,0,0]=3 42 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 M10824 [0,0,0,1,0,0|2,0,0]=3 43 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 M43460 [0,0,0,1,0,0|2,0,0]=3 44 B10R1.413 COC(=O)C1=CC(C)(C)C1 M12955 [0,0,0,1,0,0|1,0,1]=3 45 B10R1.413 COC(=O)C1CC(C)(C)C1 M10532 [0,0,0,1,0,0|1,0,0]=2 46 B10R1.413 COC(=O)C1CC(F)(F)C1 M0315 [0,0,0,1,0,0|3,0,0]=4 47 B10R1.424 COC(=O)C1(C)CC(=O)C1 M11707 [0,0,0,1,0,0|2,0,1]=4 48 B10R1.424 COC(=O)C1(C)CC(O)C1 M11706 [0,0,0,1,0,0|2,0,0]=3 49 B10R1.424 COC(=O)C1(F)CC(O)C1 M60333 [0,0,0,1,0,0|2,0,0]=3 50 B10R1.424 COC(=O)[C@]1(C)C[C@@H](O)C1 M14904 [0,0,0,1,0,0|2,0,0]=3 51 B10R1.424 COC(=O)[C@]1(C)C[C@H](O)C1 M14903 [0,0,0,1,0,0|2,0,0]=3 52 B10R1.424 COC(=O)[C@]1(F)C[C@@H](N)C1 M59811 [0,0,0,1,0,0|2,0,0]=3 53 B10R1.424 COC(=O)[C@]1(F)C[C@H](N)C1 M59886 [0,0,0,1,0,0|2,0,0]=3 54 B8R0.2 COC(=O)C(=O)[C@H](C)Br B6543 [0,0,0,0,1,0|1,0,2]=4 55 B8R0.2 COC(=O)C(N)C(C)O M41339 [0,0,0,0,1,0|2,0,0]=3 56 B8R0.2 COC(=O)[C@@H](C)C(C)=O M65039 [0,0,0,0,1,0|2,0,1]=4 57 B8R0.2 COC(=O)[C@@H](Cl)C(C)=O M41184 [0,0,0,0,1,0|2,0,1]=4 58 B8R0.2 COC(=O)[C@@H](N)C(C)=O M41375 [0,0,0,0,1,0|2,0,1]=4 59 B8R0.2 COC(=O)[C@@H](N)C(C)C M68320 [0,0,0,0,1,0|1,0,0]=2 60 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O T41338 [0,0,0,0,1,0|2,0,0]=3 61 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O M41341 [0,0,0,0,1,0|2,0,0]=3 62 B8R0.2 COC(=O)[C@H](N)C(C)C M60727 [0,0,0,0,1,0|1,0,0]=2 63 B10R0.44 COC(=O)CC(=O)CC(C)C M47097 [0,0,0,0,0,1|0,0,2]=3 64 B7R0.3 CCCCC(=O)NN P40425 [2,0,0,0,0,0|2,0,0]=4 65 B7R0.3 CCCOC(=O)OC M40388 [2,0,0,0,0,0|1,0,0]=3 66 B7R0.3 CNCCC(=O)OC M40412 [2,0,0,0,0,0|1,0,0]=3 67 B7R0.3 COC(=N)CCCCl M40379 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.3 COC(=O)CCCBr M39189 [2,0,0,0,0,0|1,0,0]=3 69 B7R0.3 COC(=O)CCCCl M60517 [2,0,0,0,0,0|1,0,0]=3 70 B7R0.3 COC(=O)CCCN M32376 [2,0,0,0,0,0|1,0,0]=3 71 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [2,0,0,0,0,0|1,0,0]=3 72 B7R0.5 CCC[C@H](O)C(=O)O H40390 [2,0,0,0,0,0|0,0,0]=2 73 B7R0.5 COC[C@@H](N)C(=O)O A40353 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.5 COC[C@@H](N)C(=O)O A61058 [2,0,0,0,0,0|2,0,0]=4 75 B7R0.5 COC[C@H](Br)C(=O)O B40233 [2,0,0,0,0,0|2,0,0]=4 76 B7R0.5 COC[C@H](N)C(=O)O A40354 [2,0,0,0,0,0|2,0,0]=4 77 B7R0.5 COC[C@H](N)C(=O)O A67760 [2,0,0,0,0,0|2,0,0]=4 78 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [2,0,0,0,0,0|2,0,0]=4 79 B7R0.5 NCC[C@H](F)C(=O)O A63044 [2,0,0,0,0,0|2,0,0]=4 80 B7R0.5 NCC[C@H](N)C(=O)O D37858 [2,0,0,0,0,0|2,0,0]=4 81 B7R0.5 NCC[C@H](N)C(=O)O D68313 [2,0,0,0,0,0|2,0,0]=4 82 B7R0.5 NCC[C@H](O)C(=O)O A39157 [2,0,0,0,0,0|1,0,0]=3 83 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.5 N[C@H](CCO)C(=O)O A68363 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.5 N[C@H](CCS)C(=O)O A66150 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [2,0,0,0,0,0|1,0,0]=3 89 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [2,0,0,0,0,0|1,0,0]=3 90 B7R0.10 CC[C@H](N)C(=O)OC M40408 [2,0,0,0,0,0|1,0,0]=3 91 B7R0.10 CC[C@H](N)C(=O)OC M41330 [2,0,0,0,0,0|1,0,0]=3 92 B7R0.10 CC[C@H](N)C(=O)OC M41334 [2,0,0,0,0,0|1,0,0]=3 93 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [2,0,0,0,0,0|2,0,0]=4 94 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [2,0,0,0,0,0|2,0,0]=4 95 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [2,0,0,0,0,0|2,0,0]=4 96 B7R0.10 COC(=O)[C@@H](C)CO M25480 [2,0,0,0,0,0|2,0,0]=4 97 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [2,0,0,0,0,0|2,0,0]=4 98 B7R0.10 COC(=O)[C@@H](F)CO M60918 [2,0,0,0,0,0|2,0,0]=4 99 B7R0.10 COC(=O)[C@@H](N)CO M68693 [2,0,0,0,0,0|2,0,0]=4 100 B7R0.10 COC(=O)[C@@H](N)CO S64541 [2,0,0,0,0,0|2,0,0]=4 101 B7R0.10 COC(=O)[C@@H](O)CN M61501 [2,0,0,0,0,0|1,0,0]=3 102 B7R0.10 COC(=O)[C@@H](O)CO M40259 [2,0,0,0,0,0|1,0,0]=3 103 B7R0.10 COC(=O)[C@H](C)CO M40393 [2,0,0,0,0,0|2,0,0]=4 104 B7R0.10 COC(=O)[C@H](N)CCl M69012 [2,0,0,0,0,0|2,0,0]=4 105 B7R0.10 COC(=O)[C@H](N)CS M69349 [2,0,0,0,0,0|2,0,0]=4 106 B7R0.10 COC(=O)[C@H](O)CO M40258 [2,0,0,0,0,0|1,0,0]=3 107 B7R0.2 CC(C)C[C@@H](N)CO L41620 [2,0,0,0,0,0|1,0,1]=4 108 B7R0.2 CC(C)C[C@H](N)CO A68907 [2,0,0,0,0,0|1,0,1]=4 109 B7R0.2 CN(C)C[C@H](O)CO D68905 [2,0,0,0,0,0|1,0,1]=4 110 B7R0.6 CC(=O)CCC(C)=O H64912 [2,0,0,0,0,0|1,0,1]=4 111 B7R0.6 CC(=O)NNC(C)C P40426 [2,0,0,0,0,0|2,0,0]=4 112 B7R0.6 CN(C)CCC(=O)O D41335 [2,0,0,0,0,0|1,0,0]=3 113 B7R0.6 O=C(O)CCC(F)F D59737 [2,0,0,0,0,0|2,0,0]=4 114 B9R0.8 CCCC[C@H](N)C(=O)OC M46518 [1,1,0,0,0,0|1,0,0]=3 115 B9R0.8 COC(=O)[C@@H](Br)CCCBr M41466 [1,1,0,0,0,0|1,0,0]=3 116 B9R0.27 CCC(=O)[C@H](F)C(=O)OC M43406 [1,1,0,0,0,0|1,0,1]=4 117 B9R0.35 CCCC(=O)C(=O)OCC E43810 [1,1,0,0,0,0|0,0,2]=4 118 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [1,1,0,0,0,0|1,0,0]=3 119 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [1,1,0,0,0,0|1,0,0]=3 120 B9R0.21 COC(=O)CCC(Cl)(Cl)Cl M41178 [1,1,0,0,0,0|2,0,0]=4 121 B9R0.24 COC(=O)CCC(=O)CN M68150 [1,1,0,0,0,0|1,0,1]=4 122 B9R0.42 CCC(=O)O[C@@H](Cl)C(C)C C38219 [1,1,0,0,0,0|2,0,0]=4 123 B9R0.48 C=C(C)CCC(=O)OCC E69099 [1,1,0,0,0,0|0,0,2]=4 124 B9R0.48 CCOC(=O)CCC(C)=O E36601 [1,1,0,0,0,0|1,0,1]=4 125 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O A43930 [1,1,0,0,0,0|1,0,0]=3 126 B9R0.39 CC(C)C[C@@H](CN)C(=O)O A43933 [1,1,0,0,0,0|1,0,0]=3 127 B9R0.39 CC(C)C[C@H](CN)C(=O)O A43932 [1,1,0,0,0,0|1,0,0]=3 128 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O A43931 [1,1,0,0,0,0|1,0,0]=3 129 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O A41594 [1,1,0,0,0,0|1,0,0]=3 130 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C L66830 [0,1,0,0,1,0|2,0,0]=4 131 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C M38468 [0,1,0,0,1,0|1,0,0]=3 132 B9R0.25 COC(=O)[C@H](N)C(C)(C)C M66640 [0,1,0,0,1,0|1,0,0]=3 133 B11R0.110 COC(=O)CC(O)CC(=O)OC D43830 [0,1,0,0,0,1|1,0,1]=4 134 B11R0.290 COC(=O)[C@@H](N)COC(C)(C)C M68295 [0,1,0,0,0,1|1,0,0]=3 135 B11R0.290 COC(=O)[C@H](N)COC(C)(C)C M63093 [0,1,0,0,0,1|1,0,0]=3 136 B11R0.186 CCOC(=O)C(=O)CC(C)(C)C D2013 [0,2,0,0,0,0|0,0,2]=4 137 B11R0.186 CCOC(=O)[C@@H](N)CC(C)(C)F E65894 [0,2,0,0,0,0|1,0,0]=3 138 B9R1.3 CN1CCC[C@H](N)C1=O A11570 [1,0,0,1,0,0|2,0,0]=4 139 B9R1.3 CN1CCC[C@H](N)C1=O A14658 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.3 CN1CCC[C@H](N)C1=O A43470 [1,0,0,1,0,0|2,0,0]=4 141 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [1,0,0,1,0,0|2,0,0]=4 142 B9R1.5 N[C@H]1CCCCNC1=O A24830 [1,0,0,1,0,0|2,0,0]=4 143 B9R1.5 N[C@H]1CCCCNC1=O A43463 [1,0,0,1,0,0|2,0,0]=4 144 B9R1.11 CNC(=O)[C@@H]1CCCN1 M43471 [1,0,0,1,0,0|2,0,0]=4 145 B9R1.11 COC(=O)C1=CCCC1 M43720 [1,0,0,1,0,0|1,0,1]=4 146 B9R1.11 COC(=O)C1CCCC1 M43805 [1,0,0,1,0,0|1,0,0]=3 147 B9R1.11 COC(=O)[C@@H]1CCCN1 M38491 [1,0,0,1,0,0|1,0,0]=3 148 B9R1.11 COC(=O)[C@@H]1CCNC1 M20211 [1,0,0,1,0,0|2,0,0]=4 149 B9R1.11 COC(=O)[C@@H]1CCNC1 M25987 [1,0,0,1,0,0|2,0,0]=4 150 B9R1.11 COC(=O)[C@@H]1CCOC1 M10323 [1,0,0,1,0,0|2,0,0]=4 151 B9R1.11 COC(=O)[C@H]1CCNC1 E6960 [1,0,0,1,0,0|2,0,0]=4 152 B9R1.11 COC(=O)[C@H]1CCNC1 M10274 [1,0,0,1,0,0|2,0,0]=4 153 B9R1.11 COC(=O)[C@H]1CCNC1 M20204 [1,0,0,1,0,0|2,0,0]=4 154 B9R1.11 COC(=O)[C@H]1CCNC1 P12312 [1,0,0,1,0,0|2,0,0]=4 155 B9R1.11 COC(=O)[C@H]1CCOC1 M12450 [1,0,0,1,0,0|2,0,0]=4 156 B9R1.11 COC(=O)[C@H]1CCOC1 M7564 [1,0,0,1,0,0|2,0,0]=4 157 B9R1.82 COC(=O)C1CC(Br)C1 M10924 [1,0,0,1,0,0|2,0,0]=4 158 B9R1.82 COC(=O)C1CC(Cl)C1 M11851 [1,0,0,1,0,0|2,0,0]=4 159 B9R1.82 COC(=O)C1CC(N)C1 M13744 [1,0,0,1,0,0|2,0,0]=4 160 B9R1.82 COC(=O)C1CC(O)C1 M0318 [1,0,0,1,0,0|2,0,0]=4 161 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 SB7472 [1,0,0,1,0,0|2,0,0]=4 162 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 M11400 [1,0,0,1,0,0|2,0,0]=4 163 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 M10932 [1,0,0,1,0,0|2,0,0]=4 164 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 M1703 [1,0,0,1,0,0|2,0,0]=4 165 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SB7980 [1,0,0,1,0,0|2,0,0]=4 166 B9R1.88 COC(=O)C1CC1CN M27272 [1,0,0,1,0,0|2,0,0]=4 167 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO M59717 [1,0,0,1,0,0|2,0,0]=4 168 B9R1.101 COC(=O)[C@@H](N)C1CC1 M43446 [1,0,0,1,0,0|1,0,0]=3 169 B9R1.101 COC(=O)[C@@H](N)C1CC1 M43448 [1,0,0,1,0,0|1,0,0]=3 170 B9R1.186 COC(=O)C1(Br)CCC1 M43401 [1,0,0,1,0,0|1,0,0]=3 171 B9R1.186 COC(=O)C1(C)CNC1 M11573 [1,0,0,1,0,0|2,0,0]=4 172 B9R1.186 COC(=O)C1(C)COC1 M41474 [1,0,0,1,0,0|2,0,0]=4 173 B9R1.186 COC(=O)C1(F)CNC1 M11572 [1,0,0,1,0,0|2,0,0]=4 174 B9R1.186 COC(=O)C1(N)CCC1 M39051 [1,0,0,1,0,0|1,0,0]=3 175 B9R1.186 COC(=O)C1(N)COC1 M7161 [1,0,0,1,0,0|2,0,0]=4 176 B9R1.186 COC(=O)[C@]1(C)CCN1 M22961 [1,0,0,1,0,0|2,0,0]=4 177 B9R1.10 CC1(C)C=CC(=O)CC1 D47014 [1,0,0,1,0,0|1,0,1]=4 178 B9R1.10 CC1(C)CCC(=O)CC1 D23641 [1,0,0,1,0,0|1,0,0]=3 179 B9R1.10 CC1(C)CNC(=O)CN1 D25392 [1,0,0,1,0,0|2,0,0]=4 180 B9R1.35 CC(C)[C@@H]1COC(=O)N1 P26884 [1,0,0,1,0,0|1,0,0]=3 181 B9R1.35 CC(C)[C@H]1COC(=O)N1 P41504 [1,0,0,1,0,0|1,0,0]=3 182 B9R1.49 CN1CCNC(=O)CC1 M10175 [1,0,0,1,0,0|2,0,0]=4 183 B9R1.112 N[C@@H](CC1CC1)C(=O)O A41508 [1,0,0,1,0,0|1,0,0]=3 184 B9R1.112 N[C@H](CC1CC1)C(=O)O C68587 [1,0,0,1,0,0|1,0,0]=3 185 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 A14827 [1,0,0,1,0,0|2,0,0]=4 186 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 A20733 [1,0,0,1,0,0|2,0,0]=4 187 B9R1.152 C[C@]1(C(=O)O)C[C@H](N)C1 SB7324 [1,0,0,1,0,0|2,0,0]=4 188 B9R1.152 NC1(C(=O)O)CC(F)C1 A13108 [1,0,0,1,0,0|2,0,0]=4 189 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 A13111 [1,0,0,1,0,0|2,0,0]=4 190 B9R1.152 N[C@]1(C(=O)O)C[C@H](F)C1 A13110 [1,0,0,1,0,0|2,0,0]=4 191 B9R1.152 O=C(O)[C@]1(F)C[C@@H](O)C1 F59887 [1,0,0,1,0,0|2,0,0]=4 192 B9R1.152 O=C(O)[C@]1(F)C[C@H](O)C1 M59964 [1,0,0,1,0,0|2,0,0]=4 193 B9R1.152 O=C(O)[C@]1(O)C[C@@H](O)C1 D59963 [1,0,0,1,0,0|1,0,0]=3 194 B9R1.164 CC1(C)C=C(C(=O)O)C1 D6362 [1,0,0,1,0,0|1,0,1]=4 195 B9R1.164 CC1(C)CC(C(=O)O)C1 D11728 [1,0,0,1,0,0|1,0,0]=3 196 B9R1.164 CC1(F)CC(C(=O)O)C1 C20596 [1,0,0,1,0,0|2,0,0]=4 197 B9R1.164 CC1(O)CC(C(=O)O)C1 H14479 [1,0,0,1,0,0|2,0,0]=4 198 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 F60006 [1,0,0,1,0,0|2,0,0]=4 199 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 H11742 [1,0,0,1,0,0|2,0,0]=4 200 B9R1.81 COC(=O)C1CNC1C M21134 [0,0,0,1,1,0|2,0,0]=4 201 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N M10731 [0,0,0,1,1,0|2,0,0]=4 202 B11R1.225 COC(=O)C1CC(C)CC1=O M36825 [0,0,0,1,0,1|0,0,2]=4 203 B11R1.22 COC(=O)C1CCC(N)CC1 M47125 [0,0,0,1,0,1|2,0,0]=4 204 B11R1.22 COC(=O)C1CCC(O)CC1 M8610 [0,0,0,1,0,1|2,0,0]=4 205 B11R1.22 COC(=O)C1CCN(C)CC1 M21735 [0,0,0,1,0,1|2,0,0]=4 206 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 M29475 [0,0,0,1,0,1|1,0,0]=3 207 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 M29476 [0,0,0,1,0,1|1,0,0]=3 208 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 M66014 [0,0,0,1,0,1|1,0,0]=3 209 B11R1.22 COC(=O)[C@@H]1CC[C@H](O)CN1 M14678 [0,0,0,1,0,1|2,0,0]=4 210 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 M11802 [0,0,0,1,0,1|1,0,0]=3 211 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 M66013 [0,0,0,1,0,1|1,0,0]=3 212 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 M12150 [0,0,0,1,0,1|2,0,0]=4 213 B11R1.22 COC(=O)[C@H]1CC[C@@H](O)CC1 M13282 [0,0,0,1,0,1|2,0,0]=4 214 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 M60290 [0,0,0,1,0,1|1,0,0]=3 215 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 M1501 [0,0,0,1,0,1|2,0,0]=4 216 B11R1.22 COC(=O)[C@H]1CC[C@H](O)CC1 M13283 [0,0,0,1,0,1|2,0,0]=4 217 B11R1.866 COC(=O)[C@@H]1COC(C)(C)O1 M43827 [0,0,0,1,0,1|0,0,0]=2 218 B11R1.866 COC(=O)[C@H]1COC(C)(C)O1 M43826 [0,0,0,1,0,1|0,0,0]=2 219 B11R1.1361 C[C@H]1CC(C)(C)CC(=O)C1=O T50436 [0,1,0,1,0,0|2,0,0]=4 220 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 E62122 [0,1,0,1,0,0|2,0,0]=4 221 B11R1.15 CCOC(=O)[C@H]1C[C@H](F)CN1 E10905 [0,1,0,1,0,0|2,0,0]=4 222 B11R1.351 CCOC(=O)C(=O)CC1CC1 C2015 [0,1,0,1,0,0|0,0,2]=4 223 B11R1.645 CC(C)C[C@@H]1NC(=O)OC1=O B43777 [0,1,0,1,0,0|1,0,1]=4 224 B11R1.833 CCOC(=O)[C@]1(C)C[C@@H](N)C1 E14830 [0,1,0,1,0,0|2,0,0]=4 225 B11R1.833 CCOC(=O)[C@]1(C)C[C@@H](O)C1 E14833 [0,1,0,1,0,0|2,0,0]=4 226 B11R1.833 CCOC(=O)[C@]1(C)C[C@H](N)C1 E14831 [0,1,0,1,0,0|2,0,0]=4 227 B11R1.833 CCOC(=O)[C@]1(C)C[C@H](O)C1 E14832 [0,1,0,1,0,0|2,0,0]=4 228 B11R1.1468 COC(=O)C1(C)CC(F)(F)C1 M10834 [0,1,0,1,0,0|2,0,0]=4 229 B11R1.23 COC(=O)C1CC(O)CCN1 M43857 [0,1,0,1,0,0|2,0,0]=4 230 B11R1.23 COC(=O)C1CCCC(O)C1 M47101 [0,1,0,1,0,0|2,0,0]=4 231 B11R1.23 COC(=O)C1CNCC(C)C1 M9144 [0,1,0,1,0,0|1,0,0]=3 232 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 M24974 [0,1,0,1,0,0|2,0,0]=4 233 B11R1.23 COC(=O)[C@@H]1CCN[C@H](C)C1 M11586 [0,1,0,1,0,0|1,0,0]=3 234 B11R1.23 COC(=O)[C@@H]1CCN[C@H](C)C1 M60158 [0,1,0,1,0,0|1,0,0]=3 235 B11R1.23 COC(=O)[C@H]1CCC[C@@H](O)C1 M20059 [0,1,0,1,0,0|2,0,0]=4 236 B11R1.23 COC(=O)[C@H]1CNC[C@@H](C)C1 M21608 [0,1,0,1,0,0|1,0,0]=3 237 B11R1.44 COC(=O)C1CCC(CN)O1 M8646 [0,1,0,1,0,0|2,0,0]=4 238 B11R1.221 CC1(C)COC(=O)C(C)(C)N1 T47123 [0,1,0,1,0,0|2,0,0]=4 239 B11R2.901 COC(=O)C12CC(CN1)C2 M15219 [0,0,0,2,0,0|1,0,0]=3 240 B11R2.911 COC(=O)[C@H]1NC[C@@H]2CC12 A15435 [0,0,0,2,0,0|1,0,0]=3 241 B11R2.911 COC(=O)[C@H]1NC[C@H]2C[C@H]21 A8246 [0,0,0,2,0,0|1,0,0]=3 242 B11R2.914 COC(=O)C1CC2OC2C1 M13555 [0,0,0,2,0,0|2,0,0]=4 243 B11R2.914 COC(=O)C1C[C@@H]2O[C@@H]2C1 M29970 [0,0,0,2,0,0|2,0,0]=4 244 B11R2.1939 COC(=O)C1CC2(CO2)C1 M60145 [0,0,0,2,0,0|2,0,0]=4 245 B11R2.1923 COC(=O)C12CC(Br)(C1)C2 M60298 [0,0,0,2,0,0|2,0,0]=4 246 B11R2.1923 COC(=O)C12CC(N)(C1)C2 A10096 [0,0,0,2,0,0|2,0,0]=4 247 B11R2.1923 COC(=O)C12CC(O)(C1)C2 M59769 [0,0,0,2,0,0|2,0,0]=4 248 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [1,0,0,0,1,0|1,0,0]=3 249 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [1,0,0,0,1,0|0,0,0]=2 250 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [1,0,0,0,1,0|2,0,0]=4 251 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [1,0,0,0,1,0|0,0,0]=2 252 B7R0.16 CC(O)C(N)C(=O)O T61081 [1,0,0,0,1,0|2,0,0]=4 253 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [1,0,0,0,1,0|2,0,0]=4 254 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [1,0,0,0,1,0|2,0,0]=4 255 B9R0.1 C=C(C)CCCC(=O)OC M47085 [1,0,0,0,0,1|0,0,2]=4 256 B9R0.1 COC(=O)CCCC(C)=O M62839 [1,0,0,0,0,1|1,0,1]=4 257 B9R0.1 COC(=O)\C=C\CN(C)C M43850 [1,0,0,0,0,1|1,0,1]=4