0 B11R0.317 CC(=O)N(C(C)C)C(C)C(=O)O Amb31101080 [0,0,0,0,0,0|3,0,0]=3 1 B11R0.317 CC(=O)N(C)C(C(=O)O)C(C)C Amb31101079 [0,0,0,0,0,0|3,0,0]=3 2 B11R0.317 CC(C)C(C(=O)O)C(O)C(=O)O Amb18647942 [0,0,0,0,0,0|0,0,0]=0 3 B11R0.317 CC(C)C(C(C)C)C(N)C(=O)O Amb32652590 [0,0,0,0,0,0|3,0,1]=4 4 B11R0.317 CC(C)C(C(C)C)C(N)C(=O)O Amb32652591 [0,0,0,0,0,0|3,0,1]=4 5 B11R0.317 CC(C)[C@H](C(=O)O)[C@H](O)C(=O)O Amb24117453 [0,0,0,0,0,0|0,0,0]=0 6 B11R0.317 C\C(C(=O)O)=C(\C(=O)O)C(C)C Amb27440022 [0,0,0,0,0,0|1,0,2]=3 7 B11R0.317 C\C(Cl)=C(\C(=O)O)C(C)C(=O)O Amb28343117 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.76 C#CC(C(C)C)C(C)C(=O)O Amb27607900 [1,0,0,0,0,0|2,0,1]=4 9 B10R0.76 CC(=O)C(O)C(C=O)C(C)C Amb28080239 [1,0,0,0,0,0|1,0,0]=2 10 B10R0.76 CC(=O)[C@H](O)[C@@H](C=O)C(C)C Amb28080240 [1,0,0,0,0,0|1,0,0]=2 11 B10R0.76 CC(C(=O)O)C(NO)C(=O)O Amb27673476 [1,0,0,0,0,0|3,0,0]=4 12 B10R0.76 CCC(C(=O)O)C(C)C(C)O Amb27990210 [1,0,0,0,0,0|2,0,1]=4 13 B10R0.76 CCC(C(=O)O)C(O)C(=O)O Amb25386294 [1,0,0,0,0,0|0,0,0]=1 14 B10R0.76 CCC(C(=O)O)C(O)C(C)C Amb18315393 [1,0,0,0,0,0|2,0,1]=4 15 B10R0.76 CCC(C(=O)O)N(C)C(N)=O Amb18983108 [1,0,0,0,0,0|3,0,0]=4 16 B10R0.76 CCC(C(C)C)C(C)C(=O)O Amb24761781 [1,0,0,0,0,0|2,0,1]=4 17 B10R0.76 CCC(C(C)C)C(N)C(=O)O Amb27674221 [1,0,0,0,0,0|2,0,1]=4 18 B10R0.76 CCC(C(C)C)C(O)C(=O)O Amb27492040 [1,0,0,0,0,0|1,0,1]=3 19 B10R0.76 CCC(C(C)C)[C@@H](C)C(=O)O Amb33743247 [1,0,0,0,0,0|2,0,1]=4 20 B10R0.76 CCC(C(C)C)[C@H](C)C(=O)O Amb33749073 [1,0,0,0,0,0|2,0,1]=4 21 B10R0.76 CC[C@@H](C(=O)O)[C@@H](O)C(=O)O Amb27990177 [1,0,0,0,0,0|0,0,0]=1 22 B10R0.76 CC[C@H](C(=O)O)[C@@H](C)C(=O)O Amb27269197 [1,0,0,0,0,0|1,0,0]=2 23 B10R0.76 CC[C@H](C(=O)O)[C@H](C)C(=O)O Amb27990007 [1,0,0,0,0,0|1,0,0]=2 24 B10R0.76 CC\C(C(=O)O)=C(\C)C(=O)O Amb28138018 [1,0,0,0,0,0|1,0,2]=4 25 B10R0.76 CC\C(C(=O)O)=C(\O)C(=O)O Amb27231786 [1,0,0,0,0,0|0,0,2]=3 26 B10R0.76 CO[C@H](C(=O)O)[C@@H](O)C(=O)O Amb27990020 [1,0,0,0,0,0|1,0,0]=2 27 B10R0.76 C[C@@H](O)[C@@H](O)[C@@H](C=O)N(C)C Amb27671675 [1,0,0,0,0,0|2,0,1]=4 28 B10R0.76 C[C@H](C(=O)O)[C@H](NN)C(=O)O Amb27272552 [1,0,0,0,0,0|3,0,0]=4 29 B10R0.76 N#CC(C(=O)O)C(N)C(=O)O Amb27974151 [1,0,0,0,0,0|2,0,1]=4 30 B10R0.76 NC(C(=O)O)C(CO)C(=O)O Amb27988471 [1,0,0,0,0,0|2,0,0]=3 31 B10R0.76 NCC(C(=O)O)[C@H](N)C(=O)O Amb25384089 [1,0,0,0,0,0|2,0,0]=3 32 B10R0.76 NN[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27272395 [1,0,0,0,0,0|3,0,0]=4 33 B10R0.76 N[C@H](C(=O)O)C(CO)C(=O)O Amb25384088 [1,0,0,0,0,0|2,0,0]=3 34 B10R0.118 C#CC(C)C(C(=O)O)C(C)C Amb27965029 [1,0,0,0,0,0|2,0,1]=4 35 B10R0.118 C=CC(C)[C@H](C(=O)O)[C@H](C)O Amb27990179 [1,0,0,0,0,0|3,0,0]=4 36 B10R0.118 C=C[C@@H](C)[C@H](C(=O)O)C(C)C Amb27990174 [1,0,0,0,0,0|2,0,0]=3 37 B10R0.118 C=C[C@H](C)[C@@H](C(=O)O)[C@H](C)O Amb27990180 [1,0,0,0,0,0|3,0,0]=4 38 B10R0.118 C=C[C@H](C)[C@H](C(=O)O)C(C)C Amb27990173 [1,0,0,0,0,0|2,0,0]=3 39 B10R0.118 CC(=O)C(C(C)C)C(C)CO Amb27987625 [1,0,0,0,0,0|2,0,1]=4 40 B10R0.118 CC(C)[C@@H](C(=O)O)N(O)C=O Amb25383165 [1,0,0,0,0,0|1,0,0]=2 41 B10R0.118 CC(C)[C@@H](C(=O)O)N(O)N=O Amb25383167 [1,0,0,0,0,0|2,0,0]=3 42 B10R0.118 CCC(N)C(C(=O)O)C(C)C Amb24750825 [1,0,0,0,0,0|2,0,1]=4 43 B10R0.118 CCC(O)C(C(=O)O)C(C)C Amb18310738 [1,0,0,0,0,0|1,0,1]=3 44 B10R0.162 C=C(C)C(CC(=O)O)C(=O)O Amb18644989 [1,0,0,0,0,0|0,0,2]=3 45 B10R0.162 CC(=O)C(CC(=O)O)C(C)C Amb27990011 [1,0,0,0,0,0|1,0,0]=2 46 B10R0.162 CC(=O)C(CC(C)O)C(C)C Amb27670937 [1,0,0,0,0,0|2,0,1]=4 47 B10R0.162 CC(=O)CC(C(C)=O)N(C)C Amb27673723 [1,0,0,0,0,0|3,0,0]=4 48 B10R0.162 CC(=O)N(CC(=O)O)C(C)C Amb17400038 [1,0,0,0,0,0|2,0,0]=3 49 B10R0.162 CC(=O)N(CC(N)=O)C(C)C Amb27818688 [1,0,0,0,0,0|3,0,0]=4 50 B10R0.162 CC(=O)NC(C(=O)Cl)C(C)C Amb5742285 [1,0,0,0,0,0|3,0,0]=4 51 B10R0.162 CC(=O)NC(C(=O)O)C(C)C Amb9702849 [1,0,0,0,0,0|2,0,0]=3 52 B10R0.162 CC(=O)NC(C(=O)O)C(C)O Amb1119285 [1,0,0,0,0,0|3,0,0]=4 53 B10R0.162 CC(=O)NC(C(=O)O)C(C)S Amb27409022 [1,0,0,0,0,0|3,0,0]=4 54 B10R0.162 CC(=O)NC(C(N)=O)C(C)C Amb6739910 [1,0,0,0,0,0|3,0,0]=4 55 B10R0.162 CC(=O)N[C@@H](C(=O)O)C(C)C Amb533286 [1,0,0,0,0,0|2,0,0]=3 56 B10R0.162 CC(=O)N[C@@H](C(=O)O)[C@H](C)O Amb24388953 [1,0,0,0,0,0|3,0,0]=4 57 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C Amb1152997 [1,0,0,0,0,0|2,0,0]=3 58 B10R0.162 CC(=O)N[C@H](C(=O)O)[C@@H](C)O Amb4606017 [1,0,0,0,0,0|3,0,0]=4 59 B10R0.162 CC(=O)N[C@H](C(=O)O)[C@H](C)O Amb27165719 [1,0,0,0,0,0|3,0,0]=4 60 B10R0.162 CC(=O)N[C@H](C(N)=O)C(C)C Amb16182991 [1,0,0,0,0,0|3,0,0]=4 61 B10R0.162 CC(=O)OC(C(=O)O)C(C)C Amb8390137 [1,0,0,0,0,0|2,0,0]=3 62 B10R0.162 CC(=O)OC(C(C)=O)C(C)C Amb28080157 [1,0,0,0,0,0|3,0,0]=4 63 B10R0.162 CC(=O)O[C@@H](C(=O)O)C(C)C Amb22225167 [1,0,0,0,0,0|2,0,0]=3 64 B10R0.162 CC(=O)O[C@H](C(=O)O)C(C)C Amb22232253 [1,0,0,0,0,0|2,0,0]=3 65 B10R0.162 CC(=O)O[C@H](C(C)=O)C(C)C Amb27672448 [1,0,0,0,0,0|3,0,0]=4 66 B10R0.162 CC(=O)[C@@H](CC(=O)O)C(C)C Amb27990157 [1,0,0,0,0,0|1,0,0]=2 67 B10R0.162 CC(=O)\C(=C\C(=O)O)C(C)C Amb27597901 [1,0,0,0,0,0|1,0,2]=4 68 B10R0.162 CC(C)=C(CC(N)=O)C(=O)O Amb26477852 [1,0,0,0,0,0|1,0,2]=4 69 B10R0.162 CC(C)=NC(C(=O)O)C(C)C Amb27176584 [1,0,0,0,0,0|3,0,0]=4 70 B10R0.162 CC(C)C(CC(=O)O)C(=O)O Amb18645268 [1,0,0,0,0,0|0,0,0]=1 71 B10R0.162 CC(C)C(CC(=O)O)C(C)N Amb27990218 [1,0,0,0,0,0|2,0,1]=4 72 B10R0.162 CC(C)C(CC(=O)O)C(F)F Amb33337719 [1,0,0,0,0,0|2,0,1]=4 73 B10R0.162 CC(C)C(CC(F)F)C(=O)O Amb27986531 [1,0,0,0,0,0|2,0,1]=4 74 B10R0.162 CC(C)C(NC(=N)N)C(=O)O Amb27409796 [1,0,0,0,0,0|3,0,0]=4 75 B10R0.162 CC(C)C(NC(=O)S)C(=O)O Amb27760476 [1,0,0,0,0,0|1,1,0]=3 76 B10R0.162 CC(C)C(NC(N)=O)C(=O)O Amb6718279 [1,0,0,0,0,0|2,0,0]=3 77 B10R0.162 CC(C)C(NS(C)=O)C(=O)O Amb27272525 [1,0,0,0,0,0|3,0,0]=4 78 B10R0.162 CC(C)CC(C(=O)O)C(C)C Amb19009627 [1,0,0,0,0,0|2,0,1]=4 79 B10R0.162 CC(C)N(CC(=O)O)S(C)=O Amb27272522 [1,0,0,0,0,0|3,0,0]=4 80 B10R0.162 CC(C)[C@@H](NC(N)=O)C(=O)O Amb18179952 [1,0,0,0,0,0|2,0,0]=3 81 B10R0.162 CC(C)[C@@H](NS(C)=O)C(=O)O Amb27272521 [1,0,0,0,0,0|3,0,0]=4 82 B10R0.162 CC(C)[C@H](NC(N)=O)C(=O)O Amb544737 [1,0,0,0,0,0|2,0,0]=3 83 B10R0.162 CC(C)[C@H](NS(C)=O)C(=O)O Amb27272519 [1,0,0,0,0,0|3,0,0]=4 84 B10R0.162 CC(C)\C(=C/C(=O)O)C(=O)O Amb18126099 [1,0,0,0,0,0|0,0,2]=3 85 B10R0.162 CC(C)\C(=C\C(=O)O)C(=O)O Amb27781917 [1,0,0,0,0,0|0,0,2]=3 86 B10R0.162 CC(O)C(NC(N)=O)C(=O)O Amb9706401 [1,0,0,0,0,0|3,0,0]=4 87 B10R0.162 CC(O)CC(C(=O)O)C(C)C Amb27986528 [1,0,0,0,0,0|1,0,1]=3 88 B10R0.162 C[C@@H](O)[C@H](NC(N)=O)C(=O)O Amb24651146 [1,0,0,0,0,0|3,0,0]=4 89 B10R0.162 O=C(O)CC(C(=O)O)C(=O)O Amb4035259 [1,0,0,0,0,0|2,0,1]=4 90 B10R0.162 O=C(O)CC(C(=O)O)C(F)F Amb32811600 [1,0,0,0,0,0|2,0,0]=3 91 B10R0.162 O=C(O)CC(C(=O)O)[N+](=O)[O-] Amb26083808 [1,0,0,0,0,0|3,0,0]=4 92 B10R0.162 O=C(O)CC(C(=O)O)[SH](=O)=O Amb27990267 [1,0,0,0,0,0|3,0,0]=4 93 B10R0.162 O=C(O)C[C@@H](C(=O)O)[N+](=O)[O-] Amb24762931 [1,0,0,0,0,0|3,0,0]=4 94 B12R0.945 CC(=O)C(C)(C)C(C(=O)O)C(C)C Amb17594824 [0,1,0,0,0,0|2,0,0]=3 95 B12R0.945 CC(C)C(C(=O)O)C(C)(C)C(=O)O Amb17594876 [0,1,0,0,0,0|1,0,0]=2 96 B12R1.498 C=C(C)[C@@H]1CC[C@H](C)[C@H]1C(=O)O Amb27195409 [0,0,0,1,0,0|3,0,0]=4 97 B12R1.498 CC(=O)N1C(C)CCC1C(=O)O Amb26359930 [0,0,0,1,0,0|3,0,0]=4 98 B12R1.498 CC(=O)N1CCC(C)C1C(=O)O Amb22496280 [0,0,0,1,0,0|3,0,0]=4 99 B12R1.498 CC(=O)N1COC(=O)[C@@H]1C(C)C Amb28291492 [0,0,0,1,0,0|3,0,0]=4 100 B12R1.498 CC(=O)[C@@H]1CC[C@@H](C)[C@@H]1C(=O)O Amb27858687 [0,0,0,1,0,0|2,0,0]=3 101 B12R1.498 CC(=O)[C@@H]1CC[C@@H](C)[C@H]1C(=O)O Amb27419921 [0,0,0,1,0,0|2,0,0]=3 102 B12R1.498 CC(C)C1C(=O)NN=C1C(=O)O Amb25282955 [0,0,0,1,0,0|2,0,1]=4 103 B12R1.498 CC(C)N1C(=O)CCC1C(=O)O Amb3484434 [0,0,0,1,0,0|3,0,0]=4 104 B12R1.498 CC(C)N1C(=O)CC[C@@H]1C(=O)O Amb32675013 [0,0,0,1,0,0|3,0,0]=4 105 B12R1.498 CC(C)N1C(=O)CC[C@H]1C(=O)O Amb25294494 [0,0,0,1,0,0|3,0,0]=4 106 B12R1.498 CC(C)N1C(=O)OCC1C(=O)O Amb26502384 [0,0,0,1,0,0|2,0,0]=3 107 B12R1.498 CC(C)[C@H]1C(=O)CN[C@@H]1C(=O)O Amb18198642 [0,0,0,1,0,0|2,0,0]=3 108 B12R1.498 CC(O)[C@@H]1CC[C@@H](C)[C@H]1C(=O)O Amb27863513 [0,0,0,1,0,0|2,0,1]=4 109 B12R1.498 CC1=C(C(=O)O)C(C(=O)O)CC1 Amb4014265 [0,0,0,1,0,0|1,0,2]=4 110 B12R1.498 CC1CCN(C(N)=O)C1C(=O)O Amb27249009 [0,0,0,1,0,0|3,0,0]=4 111 B12R1.498 CC1SCC(C(=O)O)C1C(=O)O Amb28251154 [0,0,0,1,0,0|2,0,0]=3 112 B12R1.498 CC1SC[C@H](C(=O)O)[C@@H]1C(=O)O Amb27983746 [0,0,0,1,0,0|2,0,0]=3 113 B12R1.498 C[C@@H]1CCC(C(=O)O)=C1C(=O)O Amb27616943 [0,0,0,1,0,0|1,0,2]=4 114 B12R1.498 C[C@@H]1CC[C@@H](C(=O)O)[C@@H]1C(=O)O Amb27212341 [0,0,0,1,0,0|1,0,0]=2 115 B12R1.498 C[C@H]1CC[C@H](C(=O)O)[C@H]1C(=O)O Amb27637694 [0,0,0,1,0,0|1,0,0]=2 116 B12R1.865 C=C1C(=O)OC(C)(C)C1C(=O)O Amb18647277 [0,0,0,1,0,0|1,0,1]=3 117 B12R1.865 CC1(C)OC(=O)C(O)C1C(N)=O Amb28240463 [0,0,0,1,0,0|1,0,0]=2 118 B12R1.865 CC1(C)OC(=O)[C@H](O)[C@@H]1C(=O)O Amb28131385 [0,0,0,1,0,0|0,0,0]=1 119 B12R1.865 CC1=C(C(=O)O)C(C)(C)OC1=O Amb27831422 [0,0,0,1,0,0|1,0,2]=4 120 B12R1.894 CC(C)[C@@H]1C(=O)CCC(=O)[C@H]1C Amb27202566 [0,0,0,1,0,0|3,0,0]=4 121 B12R1.894 CC(C)[C@H]1C(=O)CCC(=O)[C@H]1C Amb28052386 [0,0,0,1,0,0|3,0,0]=4 122 B12R1.894 C[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1C(=O)O Amb28458524 [0,0,0,1,0,0|1,0,2]=4 123 B12R1.1380 CC(=O)C1CC1(C(=O)O)C(C)C Amb27781496 [0,0,0,1,0,0|2,0,0]=3 124 B12R1.1380 CC(=O)[C@H]1C[C@@]1(C(C)=O)C(C)C Amb27844098 [0,0,0,1,0,0|3,0,0]=4 125 B12R1.1380 CC(C)C1(C(=O)O)CC1C(N)=O Amb33133232 [0,0,0,1,0,0|2,0,0]=3 126 B12R1.1380 CC(C)[C@]1(C(=O)O)C[C@H]1C(=O)O Amb26527888 [0,0,0,1,0,0|1,0,0]=2 127 B12R1.1380 CC(C)[C@]1(C(=O)O)O[C@H]1C(=O)O Amb25743561 [0,0,0,1,0,0|0,0,0]=1 128 B12R1.2201 CC(=O)N(C1CC1)C(C)C(=O)O Amb31101073 [0,0,0,1,0,0|3,0,0]=4 129 B12R1.2921 CC1(C)[C@@H](O)[C@@H](C(=O)O)C1(C)C Amb27974153 [0,0,0,1,0,0|2,0,1]=4 130 B12R1.2921 CC1(C)[C@H](C(=O)O)[C@@H](O)C1(C)C Amb27637626 [0,0,0,1,0,0|2,0,1]=4 131 B12R1.4009 CC1(C)C(C(O)C(=O)O)C1(C)C Amb33195547 [0,0,0,1,0,0|2,0,1]=4 132 B12R0.339 CC(=O)N(CC(C)C(=O)O)C(C)C Amb18097194 [0,0,0,0,0,1|3,0,0]=4 133 B12R0.339 CC(C)C(CC(O)C(=O)O)C(C)C Amb33353413 [0,0,0,0,0,1|2,0,1]=4 134 B12R0.339 CC(CN(C(N)=O)C(C)C)C(=O)O Amb18191092 [0,0,0,0,0,1|3,0,0]=4 135 B12R0.693 CC(C)N(C(N)=O)C(C)CC(=O)O Amb18821099 [0,0,0,0,0,1|3,0,0]=4 136 B9R0.29 C=C[C@@H](C)[C@H](CC)C(=O)O Amb28251365 [2,0,0,0,0,0|2,0,0]=4 137 B9R0.29 CCC(C(=O)O)N(O)C=O Amb27253538 [2,0,0,0,0,0|1,0,0]=3 138 B9R0.29 CCC(O)C(CC)C(=O)O Amb18310733 [2,0,0,0,0,0|1,0,1]=4 139 B9R0.39 C#CC(CC(=O)O)C(C)C Amb27408324 [2,0,0,0,0,0|1,0,1]=4 140 B9R0.39 C#C[C@@H](CC(=O)O)C(C)C Amb27977044 [2,0,0,0,0,0|1,0,1]=4 141 B9R0.39 C#C[C@H](CC(=O)O)C(C)C Amb27253902 [2,0,0,0,0,0|1,0,1]=4 142 B9R0.39 C=C(C)C(CC)CC(=O)O Amb27655611 [2,0,0,0,0,0|2,0,0]=4 143 B9R0.39 C=C(C)C[C@@H](CC)C(=O)O Amb27785162 [2,0,0,0,0,0|2,0,0]=4 144 B9R0.39 C=C(Cl)CC(C=O)C(C)C Amb27799725 [2,0,0,0,0,0|2,0,0]=4 145 B9R0.39 C=CC(CC(=O)O)C(C)C Amb18643903 [2,0,0,0,0,0|1,0,0]=3 146 B9R0.39 C=C[C@@H](CC(=O)O)C(C)C Amb27881786 [2,0,0,0,0,0|1,0,0]=3 147 B9R0.39 C=C[C@H](CC(=O)O)C(C)C Amb27962891 [2,0,0,0,0,0|1,0,0]=3 148 B9R0.39 CC(=O)CC(C=O)C(C)C Amb27838017 [2,0,0,0,0,0|1,0,0]=3 149 B9R0.39 CC(C)C(C#N)CC(=O)O Amb25818234 [2,0,0,0,0,0|1,0,1]=4 150 B9R0.39 CC(C)C(CN)CC(=O)O Amb26910759 [2,0,0,0,0,0|1,0,1]=4 151 B9R0.39 CC(C)[C@@H](C#N)CC(=O)O Amb27473398 [2,0,0,0,0,0|1,0,1]=4 152 B9R0.39 CC(C)[C@H](C#N)CC(=O)O Amb28184580 [2,0,0,0,0,0|1,0,1]=4 153 B9R0.39 CC(C)[C@H](C=O)CC(=O)[O-] Amb27948625 [2,0,0,0,0,0|0,0,1]=3 154 B9R0.39 CCC(CC(=O)Cl)C(=O)Cl Amb26921552 [2,0,0,0,0,0|2,0,0]=4 155 B9R0.39 CCC(CC(=O)O)C(=O)O Amb10071696 [2,0,0,0,0,0|0,0,0]=2 156 B9R0.39 CCC(CC(=O)O)C(C)C Amb33534084 [2,0,0,0,0,0|1,0,1]=4 157 B9R0.39 CCC(CC(=O)O)C(C)O Amb18831453 [2,0,0,0,0,0|1,0,1]=4 158 B9R0.39 CCC(CC(C)=O)C(=O)O Amb18644109 [2,0,0,0,0,0|1,0,0]=3 159 B9R0.39 CCC(CC(C)=O)C(C)=O Amb27403023 [2,0,0,0,0,0|2,0,0]=4 160 B9R0.39 CCC(CC(C)O)C(=O)O Amb27254121 [2,0,0,0,0,0|1,0,1]=4 161 B9R0.39 CCC(NC(C)=O)C(=O)O Amb2099651 [2,0,0,0,0,0|2,0,0]=4 162 B9R0.39 CCC(NC(N)=O)C(=O)O Amb435947 [2,0,0,0,0,0|2,0,0]=4 163 B9R0.39 CCC(OC(N)=O)C(=O)O Amb28283574 [2,0,0,0,0,0|2,0,0]=4 164 B9R0.39 CCN(CC(=O)O)C(C)=O Amb17399887 [2,0,0,0,0,0|2,0,0]=4 165 B9R0.39 CCN(CC(=O)O)C(N)=O Amb18999255 [2,0,0,0,0,0|2,0,0]=4 166 B9R0.39 CC[C@@H](CC(=O)O)C(=O)O Amb27830576 [2,0,0,0,0,0|0,0,0]=2 167 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O Amb3941467 [2,0,0,0,0,0|2,0,0]=4 168 B9R0.39 CC[C@H](CC(=O)O)C(=O)O Amb24643194 [2,0,0,0,0,0|0,0,0]=2 169 B9R0.39 CC[C@H](CC(=O)O)C(C)C Amb25989910 [2,0,0,0,0,0|1,0,1]=4 170 B9R0.39 CC[C@H](NC(C)=O)C(=O)O Amb3990111 [2,0,0,0,0,0|2,0,0]=4 171 B9R0.39 CC[C@H](OC(C)=O)C(=O)O Amb27948340 [2,0,0,0,0,0|2,0,0]=4 172 B9R0.39 CC\C(=C/C(=O)O)C(=O)O Amb27421975 [2,0,0,0,0,0|0,0,2]=4 173 B9R0.39 CN(C)C(CO)CC(=O)O Amb18202308 [2,0,0,0,0,0|1,0,1]=4 174 B9R0.39 CNC(CC(=O)O)C(=O)O Amb1905634 [2,0,0,0,0,0|1,0,0]=3 175 B9R0.39 CNC(CC(=O)O)C(=O)O Amb30867747 [2,0,0,0,0,0|1,0,0]=3 176 B9R0.39 CNC(CC(=O)O)C(C)=O Amb18611382 [2,0,0,0,0,0|2,0,0]=4 177 B9R0.39 CNC(CC(=O)O)C(C)C Amb27209417 [2,0,0,0,0,0|2,0,0]=4 178 B9R0.39 CNC(CC(N)=O)C(=O)O Amb18644255 [2,0,0,0,0,0|2,0,0]=4 179 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O Amb3499450 [2,0,0,0,0,0|1,0,0]=3 180 B9R0.39 CN[C@H](CC(=O)O)C(=O)O Amb8515692 [2,0,0,0,0,0|1,0,0]=3 181 B9R0.39 CN[C@H](CC(N)=O)C(=O)O Amb28049962 [2,0,0,0,0,0|2,0,0]=4 182 B9R0.39 COC(CC(=O)O)C(C)=O Amb27952022 [2,0,0,0,0,0|2,0,0]=4 183 B9R0.39 COC(CC(=O)O)C(N)=O Amb23536075 [2,0,0,0,0,0|2,0,0]=4 184 B9R0.39 CO[C@H](CC(=O)O)C(=O)O Amb27849552 [2,0,0,0,0,0|1,0,0]=3 185 B9R0.39 CSC(CC(=O)O)C(=O)O Amb18646024 [2,0,0,0,0,0|1,0,0]=3 186 B9R0.39 C\C=C(/CC(=O)O)C(=O)O Amb8631758 [2,0,0,0,0,0|0,0,2]=4 187 B9R0.39 C\C=C(\CC(=O)O)C(=O)O Amb25292254 [2,0,0,0,0,0|0,0,2]=4 188 B9R0.39 N=CC(CC(=O)O)C(=O)O Amb27653604 [2,0,0,0,0,0|1,0,1]=4 189 B9R0.39 NC(=O)CC(CO)C(=O)O Amb28411495 [2,0,0,0,0,0|2,0,0]=4 190 B9R0.39 NCC(CC(=O)O)C(=O)O Amb22546423 [2,0,0,0,0,0|1,0,0]=3 191 B9R0.39 NCC(CC(=O)O)C(=O)O Amb24538047 [2,0,0,0,0,0|1,0,0]=3 192 B9R0.39 NNC(CC(=O)O)C(=O)O Amb28070991 [2,0,0,0,0,0|2,0,0]=4 193 B9R0.39 NN[C@@H](CC(=O)O)C(=O)O Amb24117193 [2,0,0,0,0,0|2,0,0]=4 194 B9R0.39 O=C(O)CC(CBr)C(=O)O Amb22752144 [2,0,0,0,0,0|1,0,0]=3 195 B9R0.39 O=C(O)CC(CF)C(=O)O Amb33379249 [2,0,0,0,0,0|1,0,0]=3 196 B9R0.39 O=C(O)CC(NCl)C(=O)O Amb27953217 [2,0,0,0,0,0|2,0,0]=4 197 B9R0.39 O=C(O)CC(NO)C(=O)O Amb24685872 [2,0,0,0,0,0|2,0,0]=4 198 B9R0.39 O=C(O)CC(NS)C(=O)O Amb25808901 [2,0,0,0,0,0|2,0,0]=4 199 B9R0.39 O=C(O)C[C@H](NCl)C(=O)O Amb27401859 [2,0,0,0,0,0|2,0,0]=4 200 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24117497 [2,0,0,0,0,0|2,0,0]=4 201 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24630025 [2,0,0,0,0,0|2,0,0]=4 202 B9R0.41 CCC(C=O)C(O)C(C)O Amb27830915 [2,0,0,0,0,0|1,0,1]=4 203 B9R0.41 CCC(CC)C(O)C(=O)O Amb19013419 [2,0,0,0,0,0|1,0,1]=4 204 B9R0.41 CCC(CN)C(O)C(=O)O Amb24700895 [2,0,0,0,0,0|1,0,1]=4 205 B9R0.41 CCC(OC)C(O)C(=O)O Amb25695288 [2,0,0,0,0,0|2,0,0]=4 206 B9R0.41 COC(CO)C(O)C(=O)O Amb27790653 [2,0,0,0,0,0|1,0,1]=4 207 B9R0.41 CO[C@H](CO)[C@@H](O)C(=O)O Amb28137968 [2,0,0,0,0,0|1,0,1]=4 208 B9R0.79 C=C(C(=O)O)C(O)C(C)C Amb27468733 [2,0,0,0,0,0|1,0,1]=4 209 B9R0.79 C=C(C)C(O)C(C)C(=O)O Amb18644101 [2,0,0,0,0,0|2,0,0]=4 210 B9R0.79 C=C(C)C(O)C(O)C(C)C Amb27858601 [2,0,0,0,0,0|2,0,0]=4 211 B9R0.79 C=C(C)[C@@H](O)[C@@H](C)C(=O)O Amb28283987 [2,0,0,0,0,0|2,0,0]=4 212 B9R0.79 CC(=O)C(C)C(N)C(=O)O Amb18202116 [2,0,0,0,0,0|2,0,0]=4 213 B9R0.79 CC(=O)C(C)C(O)C(C)C Amb27453442 [2,0,0,0,0,0|2,0,0]=4 214 B9R0.79 CC(=O)C(O)C(=O)C(C)C Amb27480227 [2,0,0,0,0,0|1,0,1]=4 215 B9R0.79 CC(=O)C(O)C(O)C(=O)O Amb25292189 [2,0,0,0,0,0|1,0,1]=4 216 B9R0.79 CC(=O)[C@@H](C)[C@@H](O)C(=O)O Amb27661780 [2,0,0,0,0,0|1,0,0]=3 217 B9R0.79 CC(=O)[C@@H](C)[C@H](O)C(=O)O Amb28050113 [2,0,0,0,0,0|1,0,0]=3 218 B9R0.79 CC(=O)[C@@H](O)[C@@H](O)C(C)C Amb28200089 [2,0,0,0,0,0|1,0,0]=3 219 B9R0.79 CC(=O)[C@H](C)[C@@H](O)C(C)C Amb26874392 [2,0,0,0,0,0|2,0,0]=4 220 B9R0.79 CC(=O)[C@H](C)[C@H](N)C(=O)O Amb27424983 [2,0,0,0,0,0|2,0,0]=4 221 B9R0.79 CC(C(=O)O)C(Br)C(=O)O Amb2612973 [2,0,0,0,0,0|1,0,0]=3 222 B9R0.79 CC(C(=O)O)C(C)C(=O)O Amb8513150 [2,0,0,0,0,0|1,0,0]=3 223 B9R0.79 CC(C(=O)O)C(N)C(=O)O Amb2099482 [2,0,0,0,0,0|1,0,0]=3 224 B9R0.79 CC(C(=O)O)C(O)C(=O)O Amb17593680 [2,0,0,0,0,0|0,0,0]=2 225 B9R0.79 CC(C)C(C)C(N)C(=O)O Amb26965499 [2,0,0,0,0,0|1,0,1]=4 226 B9R0.79 CC(C)C(C)[C@@H](N)C(=O)O Amb28119442 [2,0,0,0,0,0|1,0,1]=4 227 B9R0.79 CC(C)C(C)[C@H](N)C(=O)O Amb27951299 [2,0,0,0,0,0|1,0,1]=4 228 B9R0.79 CC(C)C(F)C(N)C(=O)O Amb28071157 [2,0,0,0,0,0|2,0,0]=4 229 B9R0.79 CC(C)C(F)[C@@H](N)C(=O)O Amb27248487 [2,0,0,0,0,0|2,0,0]=4 230 B9R0.79 CC(C)C(F)[C@H](N)C(=O)O Amb25863595 [2,0,0,0,0,0|2,0,0]=4 231 B9R0.79 CC(C)C(F)[C@H](N)C(=O)O Amb33328671 [2,0,0,0,0,0|2,0,0]=4 232 B9R0.79 CC(C)C(N)C(C)C(=O)O Amb28121227 [2,0,0,0,0,0|2,0,0]=4 233 B9R0.79 CC(C)C(N)C(F)C(=O)O Amb28385013 [2,0,0,0,0,0|2,0,0]=4 234 B9R0.79 CC(C)C(N)C(O)C(=O)O Amb27615047 [2,0,0,0,0,0|1,0,0]=3 235 B9R0.79 CC(C)C(O)C(C)C(=O)O Amb18990636 [2,0,0,0,0,0|1,0,0]=3 236 B9R0.79 CC(C)C(O)C(F)C(=O)O Amb33136392 [2,0,0,0,0,0|1,0,0]=3 237 B9R0.79 CC(C)C(O)C(N)C(=O)O Amb23399656 [2,0,0,0,0,0|1,0,0]=3 238 B9R0.79 CC(C)C(O)C(O)C(=O)O Amb27655491 [2,0,0,0,0,0|0,0,0]=2 239 B9R0.79 CC(C)C(O)[C@@H](C)C(=O)O Amb27494047 [2,0,0,0,0,0|1,0,0]=3 240 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O Amb24509492 [2,0,0,0,0,0|1,0,0]=3 241 B9R0.79 CC(C)C(S)C(N)C(=O)O Amb28076641 [2,0,0,0,0,0|1,1,0]=4 242 B9R0.79 CC(C)[C@@H](Cl)[C@@H](N)C(=O)O Amb27409092 [2,0,0,0,0,0|2,0,0]=4 243 B9R0.79 CC(C)[C@@H](O)[C@@H](Br)C(=O)O Amb27394249 [2,0,0,0,0,0|1,0,0]=3 244 B9R0.79 CC(C)[C@@H](O)[C@@H](C)C(=O)Cl Amb27472722 [2,0,0,0,0,0|2,0,0]=4 245 B9R0.79 CC(C)[C@@H](O)[C@@H](C)C(=O)O Amb27874042 [2,0,0,0,0,0|1,0,0]=3 246 B9R0.79 CC(C)[C@@H](O)[C@H](C)C(=O)O Amb28347218 [2,0,0,0,0,0|1,0,0]=3 247 B9R0.79 CC(C)[C@H](Cl)[C@@H](N)C(=O)O Amb27796326 [2,0,0,0,0,0|2,0,0]=4 248 B9R0.79 CC(C)[C@H](N)[C@H](C)C(=O)O Amb27216704 [2,0,0,0,0,0|2,0,0]=4 249 B9R0.79 CC(C)[C@H](N)[C@H](O)C(=O)O Amb25147282 [2,0,0,0,0,0|1,0,0]=3 250 B9R0.79 CC(C)[C@H](O)[C@@H](C)C(=O)O Amb10844253 [2,0,0,0,0,0|1,0,0]=3 251 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O Amb10807407 [2,0,0,0,0,0|1,0,0]=3 252 B9R0.79 CC(C)[C@H](O)[C@H](C)C(=O)O Amb28346279 [2,0,0,0,0,0|1,0,0]=3 253 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O Amb26333625 [2,0,0,0,0,0|1,0,0]=3 254 B9R0.79 CC(C)[C@H](O)[C@H](O)C(=O)O Amb28050049 [2,0,0,0,0,0|0,0,0]=2 255 B9R0.79 CC(N)C(O)C(C)C(=O)O Amb25870814 [2,0,0,0,0,0|2,0,0]=4 256 B9R0.79 CC(O)C(O)C(N)C(=O)O Amb27210841 [2,0,0,0,0,0|2,0,0]=4 257 B9R0.79 C[C@@H](C(=O)O)C(N)C(=O)O Amb27877897 [2,0,0,0,0,0|1,0,0]=3 258 B9R0.79 C[C@@H](C(=O)O)[C@@H](N)C(=O)O Amb27170727 [2,0,0,0,0,0|1,0,0]=3 259 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O Amb25324829 [2,0,0,0,0,0|1,0,0]=3 260 B9R0.79 C[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27243908 [2,0,0,0,0,0|0,0,0]=2 261 B9R0.79 C[C@@H](O)[C@@H](O)[C@H](O)C(N)=O Amb27760015 [2,0,0,0,0,0|2,0,0]=4 262 B9R0.79 C[C@@H]([C@@H](O)C(=O)O)N(C)C Amb28364201 [2,0,0,0,0,0|1,0,1]=4 263 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O Amb22801175 [2,0,0,0,0,0|1,0,0]=3 264 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(N)=O Amb27771245 [2,0,0,0,0,0|2,0,0]=4 265 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb27783086 [2,0,0,0,0,0|1,0,0]=3 266 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb31031234 [2,0,0,0,0,0|1,0,0]=3 267 B9R0.79 C[C@H](C(=O)O)[C@H](Br)C(=O)O Amb27463297 [2,0,0,0,0,0|1,0,0]=3 268 B9R0.79 C[C@H](C(=O)O)[C@H](C)C(=O)O Amb27460990 [2,0,0,0,0,0|1,0,0]=3 269 B9R0.79 C[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27955233 [2,0,0,0,0,0|1,0,0]=3 270 B9R0.79 C[C@H](N)[C@@H](O)[C@@H](C)C(=O)O Amb27845316 [2,0,0,0,0,0|2,0,0]=4 271 B9R0.79 C[C@H](O)[C@H](O)[C@@H](O)C(=O)O Amb27592166 [2,0,0,0,0,0|1,0,0]=3 272 B9R0.79 C[C@H](O)[C@H](O)[C@@H](O)C(N)=O Amb27424984 [2,0,0,0,0,0|2,0,0]=4 273 B9R0.79 C\C(C(=O)O)=C(\O)C(=O)O Amb27867258 [2,0,0,0,0,0|0,0,2]=4 274 B9R0.79 NC(=O)C(O)C(O)C(=O)O Amb24112928 [2,0,0,0,0,0|2,0,0]=4 275 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(=O)O Amb24763774 [2,0,0,0,0,0|2,0,0]=4 276 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(=O)O Amb28341817 [2,0,0,0,0,0|2,0,0]=4 277 B9R0.79 NC(C(=O)O)C(F)C(=O)O Amb24061061 [2,0,0,0,0,0|2,0,0]=4 278 B9R0.79 NC(C(=O)O)C(N)C(=O)O Amb24117894 [2,0,0,0,0,0|2,0,0]=4 279 B9R0.79 NC(C(=O)O)C(O)C(=O)O Amb9871461 [2,0,0,0,0,0|1,0,0]=3 280 B9R0.79 N[C@@H](C(=O)O)C(F)C(=O)O Amb27494927 [2,0,0,0,0,0|2,0,0]=4 281 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O Amb17942870 [2,0,0,0,0,0|1,0,0]=3 282 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27470435 [2,0,0,0,0,0|1,0,0]=3 283 B9R0.79 N[C@H](C(=O)O)C(F)C(=O)O Amb27796116 [2,0,0,0,0,0|2,0,0]=4 284 B9R0.79 N[C@H](C(=O)O)[C@@H](F)C(=O)O Amb27865514 [2,0,0,0,0,0|2,0,0]=4 285 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O Amb10072362 [2,0,0,0,0,0|2,0,0]=4 286 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24087715 [2,0,0,0,0,0|1,0,0]=3 287 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24117974 [2,0,0,0,0,0|1,0,0]=3 288 B9R0.79 N[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27796563 [2,0,0,0,0,0|2,0,0]=4 289 B9R0.79 N[C@H](C(=O)O)[C@H](F)C(=O)O Amb26945975 [2,0,0,0,0,0|2,0,0]=4 290 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O Amb27173533 [2,0,0,0,0,0|2,0,0]=4 291 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb17615140 [2,0,0,0,0,0|1,0,0]=3 292 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb33714683 [2,0,0,0,0,0|1,0,0]=3 293 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O Amb2686761 [2,0,0,0,0,0|2,0,0]=4 294 B9R0.79 O=C(O)C(Cl)C(Cl)C(=O)O Amb26345874 [2,0,0,0,0,0|2,0,0]=4 295 B9R0.79 O=C(O)C(F)C(Cl)C(=O)O Amb27875188 [2,0,0,0,0,0|2,0,0]=4 296 B9R0.79 O=C(O)C(O)C(Cl)C(=O)O Amb17594225 [2,0,0,0,0,0|1,0,0]=3 297 B9R0.79 O=C(O)C(O)C(F)C(=O)O Amb24479232 [2,0,0,0,0,0|1,0,0]=3 298 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb24668916 [2,0,0,0,0,0|1,0,0]=3 299 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb6608787 [2,0,0,0,0,0|1,0,0]=3 300 B9R0.79 O=C(O)C(O)C(O)C(=O)S Amb28050895 [2,0,0,0,0,0|1,1,0]=4 301 B9R0.79 O=C(O)C(S)C(S)C(=O)O Amb8627761 [2,0,0,0,0,0|1,1,0]=4 302 B9R0.79 O=C(O)[C@@H](Cl)[C@H](O)C(=O)O Amb27845392 [2,0,0,0,0,0|1,0,0]=3 303 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O Amb22230832 [2,0,0,0,0,0|1,0,0]=3 304 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb17616192 [2,0,0,0,0,0|1,0,0]=3 305 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb19884028 [2,0,0,0,0,0|1,0,0]=3 306 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22750609 [2,0,0,0,0,0|1,0,0]=3 307 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22756774 [2,0,0,0,0,0|1,0,0]=3 308 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb34915014 [2,0,0,0,0,0|1,0,0]=3 309 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb5722339 [2,0,0,0,0,0|1,0,0]=3 310 B9R0.79 O=C(O)[C@@H](S)[C@H](S)C(=O)O Amb28195042 [2,0,0,0,0,0|1,1,0]=4 311 B9R0.79 O=C(O)[C@H](Br)[C@H](F)C(=O)O Amb28050029 [2,0,0,0,0,0|2,0,0]=4 312 B9R0.79 O=C(O)[C@H](F)[C@H](F)C(=O)O Amb28365940 [2,0,0,0,0,0|2,0,0]=4 313 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb19884026 [2,0,0,0,0,0|1,0,0]=3 314 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20240604 [2,0,0,0,0,0|1,0,0]=3 315 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20670711 [2,0,0,0,0,0|1,0,0]=3 316 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb34915016 [2,0,0,0,0,0|1,0,0]=3 317 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb8628435 [2,0,0,0,0,0|1,0,0]=3 318 B9R0.79 O=C(O)[C@H](O)[C@H](Br)C(=O)O Amb28252354 [2,0,0,0,0,0|1,0,0]=3 319 B9R0.79 O=C(O)[C@H](O)[C@H](Cl)C(=O)O Amb27477747 [2,0,0,0,0,0|1,0,0]=3 320 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Amb8393135 [2,0,0,0,0,0|1,1,0]=4 321 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb20246422 [2,0,0,0,0,0|1,0,1]=4 322 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb8517447 [2,0,0,0,0,0|1,0,1]=4 323 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O Amb34915846 [2,0,0,0,0,0|1,0,1]=4 324 B9R0.33 C=CCC(C(=O)O)C(C)C Amb18643926 [2,0,0,0,0,0|1,0,0]=3 325 B9R0.33 C=CCC(C(=O)O)N(C)C Amb28241066 [2,0,0,0,0,0|2,0,0]=4 326 B9R0.33 C=CCC(C(N)=O)C(C)C Amb26458683 [2,0,0,0,0,0|2,0,0]=4 327 B9R0.33 CC(C)C(CC#N)C(=O)O Amb35711779 [2,0,0,0,0,0|1,0,1]=4 328 B9R0.33 CC(C)C(CCF)C(=O)O Amb27837856 [2,0,0,0,0,0|1,0,1]=4 329 B9R0.33 CC(C)C(CCN)C(=O)O Amb22371125 [2,0,0,0,0,0|1,0,1]=4 330 B9R0.33 CC(C)C(CCN)C(=O)O Amb24426418 [2,0,0,0,0,0|1,0,1]=4 331 B9R0.33 CC(C)C(N=C=O)C(=O)O Amb25952521 [2,0,0,0,0,0|1,0,1]=4 332 B9R0.33 CC(C)C(NC=O)C(=O)O Amb4018743 [2,0,0,0,0,0|1,0,0]=3 333 B9R0.33 CC(C)C(NN=O)C(=O)O Amb28198835 [2,0,0,0,0,0|2,0,0]=4 334 B9R0.33 CC(C)[C@@H](N=C=O)C(=O)O Amb33471340 [2,0,0,0,0,0|1,0,1]=4 335 B9R0.33 CC(C)[C@@H](NC=O)C(=O)O Amb22745192 [2,0,0,0,0,0|1,0,0]=3 336 B9R0.33 CC(C)[C@H](N=C=O)C(=O)O Amb33471334 [2,0,0,0,0,0|1,0,1]=4 337 B9R0.33 CC(C)[C@H](NC=O)C(=O)O Amb4018781 [2,0,0,0,0,0|1,0,0]=3 338 B9R0.33 CC(C)[C@H](NN=O)C(=O)O Amb27810805 [2,0,0,0,0,0|2,0,0]=4 339 B9R0.33 CC(C)\C(=N\C=O)C(=O)O Amb28429778 [2,0,0,0,0,0|1,0,1]=4 340 B9R0.33 CCCC(C(=O)O)C(C)C Amb17616275 [2,0,0,0,0,0|1,0,1]=4 341 B9R0.33 CN(C)C(CCO)C(=O)O Amb24116966 [2,0,0,0,0,0|1,0,1]=4 342 B9R0.33 COCC(C(=O)O)C(C)C Amb26443509 [2,0,0,0,0,0|2,0,0]=4 343 B9R0.33 CSCC(C(=O)O)C(C)C Amb27639484 [2,0,0,0,0,0|2,0,0]=4 344 B9R0.33 C\C=C\C(C(=O)O)C(C)C Amb18643944 [2,0,0,0,0,0|1,0,1]=4 345 B9R0.33 C\C=N\[C@H](C(=O)O)C(C)C Amb27831817 [2,0,0,0,0,0|2,0,0]=4 346 B9R0.54 C=C(C)C(C(=O)O)C(C)C Amb18643917 [2,0,0,0,0,0|1,0,1]=4 347 B9R0.54 C=C(C)[C@H](C(=O)O)C(C)C Amb27222321 [2,0,0,0,0,0|1,0,1]=4 348 B9R0.54 CC(C)C(C(=O)O)C(=O)O Amb2689019 [2,0,0,0,0,0|0,0,1]=3 349 B9R0.54 CC(C)C(C(=O)O)C(C)C Amb17593626 [2,0,0,0,0,0|1,0,1]=4 350 B9R0.54 CC(C)C(C(=O)O)C(C)N Amb24420001 [2,0,0,0,0,0|1,0,1]=4 351 B9R0.54 CC(C)C(C(=O)O)C(C)N Amb28555623 [2,0,0,0,0,0|1,0,1]=4 352 B9R0.54 CC(C)C(C(=O)O)C(C)O Amb18990640 [2,0,0,0,0,0|0,0,1]=3 353 B9R0.54 CC(C)C(C(=O)O)C(F)F Amb33006059 [2,0,0,0,0,0|2,0,0]=4 354 B9R0.54 CC(C)C(C(N)=O)C(=O)O Amb28050146 [2,0,0,0,0,0|1,0,1]=4 355 B9R0.54 CC(N)C(C(=O)O)C(C)O Amb27201636 [2,0,0,0,0,0|1,0,1]=4 356 B9R0.54 C[C@@H](O)[C@@H](C(=O)O)N(C)C Amb27493848 [2,0,0,0,0,0|1,0,1]=4 357 B11R0.44 CCCC(C(=O)O)C(O)C(=O)O Amb33041388 [1,1,0,0,0,0|0,0,0]=2 358 B11R0.20 CCC(OC)C(C(=O)O)C(C)C Amb33320159 [1,1,0,0,0,0|1,0,1]=4 359 B11R0.270 CC(C)C(C(=O)O)C(C)(C)CO Amb33200361 [1,1,0,0,0,0|1,0,1]=4 360 B11R0.108 C#CC(=O)N[C@H](C(=O)O)C(C)C Amb27626397 [1,1,0,0,0,0|2,0,0]=4 361 B11R0.108 CC(C)C(NC(=O)CCl)C(=O)O Amb1152499 [1,1,0,0,0,0|2,0,0]=4 362 B11R0.108 CC(C)C(NC(=O)CN)C(=O)O Amb4016467 [1,1,0,0,0,0|2,0,0]=4 363 B11R0.108 CC(C)[C@@H](NC(=O)CCl)C(=O)O Amb10842261 [1,1,0,0,0,0|2,0,0]=4 364 B11R0.108 CC(C)[C@@H](NC(=O)CN)C(=O)O Amb18795251 [1,1,0,0,0,0|2,0,0]=4 365 B11R0.108 CC(C)[C@H](NC(=O)CN)C(=O)O Amb8515022 [1,1,0,0,0,0|2,0,0]=4 366 B11R0.108 CCC(=O)NC(C(=O)O)C(C)C Amb1117002 [1,1,0,0,0,0|2,0,0]=4 367 B11R0.108 CCC(=O)N[C@@H](C(=O)O)C(C)C Amb18794783 [1,1,0,0,0,0|2,0,0]=4 368 B11R0.108 CCC(=O)N[C@H](C(=O)O)C(C)C Amb32757150 [1,1,0,0,0,0|2,0,0]=4 369 B11R0.108 CNC(=O)N[C@@H](C(=O)O)C(C)C Amb18795254 [1,1,0,0,0,0|2,0,0]=4 370 B11R0.108 COC(=O)NC(C(=O)O)C(C)C Amb9735812 [1,1,0,0,0,0|1,0,0]=3 371 B11R0.108 COC(=O)N[C@@H](C(=O)O)C(C)C Amb18795552 [1,1,0,0,0,0|1,0,0]=3 372 B11R0.108 COC(=O)N[C@H](C(=O)O)C(C)C Amb28555706 [1,1,0,0,0,0|1,0,0]=3 373 B11R0.115 CC(=O)NC(C(=O)NO)C(C)C Amb26331390 [1,1,0,0,0,0|2,0,0]=4 374 B11R0.115 CC(=O)NC(C(=O)O)C(C)CO Amb33065442 [1,1,0,0,0,0|2,0,0]=4 375 B11R0.115 CC(C)[C@H](NC(N)=O)C(=O)NO Amb27982487 [1,1,0,0,0,0|2,0,0]=4 376 B11R0.115 CCC(=O)N(CC(=O)O)C(C)C Amb17400382 [1,1,0,0,0,0|2,0,0]=4 377 B11R0.115 CCC(C)C(CC(=O)O)C(=O)O Amb33449650 [1,1,0,0,0,0|0,0,0]=2 378 B11R0.115 CCC(C)C(NC(C)=O)C(=O)O Amb9706300 [1,1,0,0,0,0|2,0,0]=4 379 B11R0.115 CCC(C)C(NC(N)=O)C(=O)O Amb9745677 [1,1,0,0,0,0|2,0,0]=4 380 B11R0.115 CCC(C)[C@H](NC(C)=O)C(=O)O Amb33523725 [1,1,0,0,0,0|2,0,0]=4 381 B11R0.115 CC[C@H](C)[C@@H](NC(C)=O)C(=O)O Amb22230215 [1,1,0,0,0,0|2,0,0]=4 382 B11R0.115 CC[C@H](C)[C@H](NC(C)=O)C(=O)O Amb3939886 [1,1,0,0,0,0|2,0,0]=4 383 B11R0.115 COC(=O)C(CC(=O)[O-])C(C)C Amb33513113 [1,1,0,0,0,0|0,0,1]=3 384 B11R0.115 COC(=O)C(NC(C)=O)C(C)C Amb6825630 [1,1,0,0,0,0|2,0,0]=4 385 B11R0.115 COC(=O)C(NC(N)=O)C(C)C Amb9239118 [1,1,0,0,0,0|2,0,0]=4 386 B11R0.115 COC(=O)[C@@H](NC(C)=O)C(C)C Amb16182992 [1,1,0,0,0,0|2,0,0]=4 387 B11R0.115 COC(C)C(NC(C)=O)C(=O)O Amb33036550 [1,1,0,0,0,0|2,0,0]=4 388 B11R0.234 CC(=O)NC(C(=O)O)C(C)(C)C Amb1106296 [1,1,0,0,0,0|2,0,0]=4 389 B11R0.234 CC(=O)NC(C(=O)O)C(C)(C)Cl Amb28290478 [1,1,0,0,0,0|2,0,0]=4 390 B11R0.234 CC(=O)NC(C(=O)O)C(C)(C)S Amb1112910 [1,1,0,0,0,0|2,0,0]=4 391 B11R0.234 CC(=O)N[C@@H](C(=O)O)C(C)(C)C Amb18794784 [1,1,0,0,0,0|2,0,0]=4 392 B11R0.234 CC(=O)N[C@H](C(=O)O)C(C)(C)C Amb24401767 [1,1,0,0,0,0|2,0,0]=4 393 B11R0.234 CC(=O)N[C@H](C(=O)O)C(C)(C)S Amb28138068 [1,1,0,0,0,0|2,0,0]=4 394 B11R0.234 CC(C)(C)C(CC(=O)O)C(=O)O Amb18647812 [1,1,0,0,0,0|0,0,0]=2 395 B11R0.234 CC(C)(C)C(NC(N)=O)C(=O)O Amb9327782 [1,1,0,0,0,0|2,0,0]=4 396 B11R0.234 CC(C)(F)C(CC(=O)O)C(=O)O Amb33271142 [1,1,0,0,0,0|0,0,0]=2 397 B11R0.234 CC(F)(F)C(CC(=O)O)C(=O)O Amb32810457 [1,1,0,0,0,0|1,0,0]=3 398 B11R0.234 O=C(O)CC(C(=O)O)C(F)(F)F Amb32430107 [1,1,0,0,0,0|2,0,0]=4 399 B11R0.426 CC(C)C(CS(C)(=O)=O)C(=O)O Amb33055897 [1,1,0,0,0,0|1,0,1]=4 400 B11R0.427 CC(=O)NC(C)(C(=O)O)C(C)C Amb26506231 [1,1,0,0,0,0|2,0,0]=4 401 B11R0.427 CC(=O)N[C@](C)(C(=O)O)C(C)C Amb27400409 [1,1,0,0,0,0|2,0,0]=4 402 B13R0.1999 CC(C)C(SC(C)(C)C(=O)O)C(=O)O Amb17503908 [0,1,0,0,0,1|1,0,0]=3 403 B13R0.2111 CC(C)C(C(=O)O)S(=O)(=O)CC(=O)O Amb17503922 [0,1,0,0,0,1|1,0,1]=4 404 B13R0.2547 CC(C)C(C(=O)O)C(C(=O)O)C(C)C Amb17595370 [0,2,0,0,0,0|1,0,0]=3 405 B11R1.64 CCC1C(=O)CC[C@H]1C(=O)O Amb27865586 [1,0,0,1,0,0|2,0,0]=4 406 B11R1.64 CCN1C(=O)OCC1C(=O)O Amb26636760 [1,0,0,1,0,0|2,0,0]=4 407 B11R1.64 CCN1C(=O)OC[C@@H]1C(=O)O Amb26888777 [1,0,0,1,0,0|2,0,0]=4 408 B11R1.64 CC[C@@H]1C(=O)C=C[C@H]1C(=O)O Amb27640542 [1,0,0,1,0,0|2,0,0]=4 409 B11R1.64 CC[C@@H]1C(=O)CC[C@H]1C(=O)O Amb27233378 [1,0,0,1,0,0|2,0,0]=4 410 B11R1.64 CC[C@@H]1C(=O)NC[C@H]1C(=O)O Amb28319505 [1,0,0,1,0,0|2,0,0]=4 411 B11R1.64 CC[C@H]1C(=O)C=C[C@@H]1C(=O)O Amb25911910 [1,0,0,1,0,0|2,0,0]=4 412 B11R1.64 CC[C@H]1C(=O)CN[C@@H]1C(=O)O Amb18830650 [1,0,0,1,0,0|2,0,0]=4 413 B11R1.64 CC[C@H]1C(=O)OC[C@H]1C(=O)O Amb27639476 [1,0,0,1,0,0|1,0,0]=3 414 B11R1.89 CC(C(=O)Cl)C1CCOC1=O Amb27470953 [1,0,0,1,0,0|2,0,0]=4 415 B11R1.89 CC(C(=O)O)N1CCOC1=O Amb8856910 [1,0,0,1,0,0|2,0,0]=4 416 B11R1.89 CC1COCC1C(C)C(=O)O Amb35631915 [1,0,0,1,0,0|1,0,1]=4 417 B11R1.89 CC1COCC1C(F)C(=O)O Amb35631916 [1,0,0,1,0,0|1,0,1]=4 418 B11R1.89 CC1COCC1C(N)C(=O)O Amb35663294 [1,0,0,1,0,0|1,0,1]=4 419 B11R1.89 CC1COCC1C(O)C(=O)O Amb35635726 [1,0,0,1,0,0|0,0,1]=3 420 B11R1.89 CC1OCCC1C(O)C(=O)O Amb26880616 [1,0,0,1,0,0|1,0,1]=4 421 B11R1.89 O=C(O)C(O)N1CCCC1=O Amb27863422 [1,0,0,1,0,0|2,0,0]=4 422 B11R1.89 O=C(O)[C@@H](O)[C@@H]1CCCC1=O Amb27781539 [1,0,0,1,0,0|1,0,0]=3 423 B11R1.89 O=C(O)[C@H](O)[C@H]1CCCC1=O Amb27205679 [1,0,0,1,0,0|1,0,0]=3 424 B11R1.89 O=C1CCC[C@H]1[C@@H](O)C(=O)O Amb27645466 [1,0,0,1,0,0|1,0,0]=3 425 B11R1.108 CC(C)[C@H]1C(=O)N[C@@H]1C(=O)O Amb26884869 [1,0,0,1,0,0|1,0,0]=3 426 B11R1.108 CC(O)C1C(=O)NC1C(=O)O Amb25189272 [1,0,0,1,0,0|2,0,0]=4 427 B11R1.108 CC1CC(C(=O)O)C1C(=O)O Amb26595927 [1,0,0,1,0,0|1,0,0]=3 428 B11R1.159 O=C1NCCC(C(=O)O)C1O Amb25145722 [1,0,0,1,0,0|1,0,0]=3 429 B11R1.178 C=C(C)C1OCCC1C(=O)O Amb25149367 [1,0,0,1,0,0|2,0,0]=4 430 B11R1.178 C=C(C)[C@@H]1OCC[C@@H]1C(=O)O Amb26585795 [1,0,0,1,0,0|2,0,0]=4 431 B11R1.178 C=C(C)[C@H]1OCC[C@H]1C(=O)O Amb25176580 [1,0,0,1,0,0|2,0,0]=4 432 B11R1.178 CC(=O)C1CCCC1C(=O)O Amb28120981 [1,0,0,1,0,0|2,0,0]=4 433 B11R1.178 CC(=O)C1OC=CC1C(C)C Amb26477218 [1,0,0,1,0,0|2,0,0]=4 434 B11R1.178 CC(C)C1CCOC1C(=O)O Amb24370040 [1,0,0,1,0,0|1,0,1]=4 435 B11R1.178 CC(C)[C@@H]1CCO[C@@H]1C(=O)O Amb25249400 [1,0,0,1,0,0|1,0,1]=4 436 B11R1.178 CC(C)[C@H]1CCO[C@H]1C(=O)O Amb24636009 [1,0,0,1,0,0|1,0,1]=4 437 B11R1.178 NC(=O)C1CCCC1C(=O)O Amb25714211 [1,0,0,1,0,0|2,0,0]=4 438 B11R1.178 NC(=O)C1OCCC1C(=O)O Amb35649185 [1,0,0,1,0,0|1,0,0]=3 439 B11R1.178 NC(=O)[C@H]1CCC[C@H]1C(=O)O Amb28142020 [1,0,0,1,0,0|2,0,0]=4 440 B11R1.178 O=C(O)C1C=CCC1C(=O)O Amb28365373 [1,0,0,1,0,0|1,0,1]=4 441 B11R1.178 O=C(O)C1CCCC1C(=O)Cl Amb27876458 [1,0,0,1,0,0|2,0,0]=4 442 B11R1.178 O=C(O)C1CCCC1C(=O)O Amb2732979 [1,0,0,1,0,0|1,0,0]=3 443 B11R1.178 O=C(O)C1CCCN1C(=O)O Amb24060622 [1,0,0,1,0,0|2,0,0]=4 444 B11R1.178 O=C(O)C1CCNC1C(=O)O Amb22741053 [1,0,0,1,0,0|1,0,0]=3 445 B11R1.178 O=C(O)C1CNCC1C(=O)O Amb22495455 [1,0,0,1,0,0|2,0,0]=4 446 B11R1.178 O=C(O)C1CNCC1C(=O)O Amb32666021 [1,0,0,1,0,0|2,0,0]=4 447 B11R1.178 O=C(O)C1COCC1C(=O)O Amb23571987 [1,0,0,1,0,0|2,0,0]=4 448 B11R1.178 O=C(O)C1SCSC1C(=O)O Amb27408556 [1,0,0,1,0,0|1,1,0]=4 449 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O Amb6299712 [1,0,0,1,0,0|1,0,0]=3 450 B11R1.178 O=C(O)[C@@H]1CNC[C@@H]1C(=O)O Amb2695693 [1,0,0,1,0,0|2,0,0]=4 451 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(=O)O Amb25200351 [1,0,0,1,0,0|2,0,0]=4 452 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(=O)O Amb32664021 [1,0,0,1,0,0|2,0,0]=4 453 B11R1.178 O=C(O)[C@@H]1COC[C@@H]1C(=O)O Amb26847108 [1,0,0,1,0,0|2,0,0]=4 454 B11R1.178 O=C(O)[C@@H]1CSC[C@H]1C(=O)O Amb28193749 [1,0,0,1,0,0|2,0,0]=4 455 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O Amb13890829 [1,0,0,1,0,0|1,0,0]=3 456 B11R1.178 O=C(O)[C@H]1CCN[C@@H]1C(=O)O Amb27422064 [1,0,0,1,0,0|1,0,0]=3 457 B11R1.178 O=C(O)[C@H]1CCN[C@H]1C(=O)O Amb27791852 [1,0,0,1,0,0|1,0,0]=3 458 B11R1.178 O=C(O)[C@H]1CNC[C@@H]1C(=O)O Amb25945306 [1,0,0,1,0,0|2,0,0]=4 459 B11R1.178 O=C(O)[C@H]1CNC[C@@H]1C(=O)O Amb28664288 [1,0,0,1,0,0|2,0,0]=4 460 B11R1.418 CS[C@@]1(C(=O)O)C[C@@H]1C(=O)O Amb28051888 [1,0,0,1,0,0|2,0,0]=4 461 B11R1.418 O=C(O)[C@@H]1C[C@]1(CO)C(=O)O Amb27768045 [1,0,0,1,0,0|2,0,0]=4 462 B11R1.418 O=C(O)[C@H]1C[C@@]1(CO)C(=O)O Amb26023028 [1,0,0,1,0,0|2,0,0]=4 463 B11R1.443 CC1C(=O)CC(C)(C)C1C=O Amb27974695 [1,0,0,1,0,0|2,0,0]=4 464 B11R1.443 CC[C@@H]1[C@@H](O)C(=O)OC1(C)C Amb27485914 [1,0,0,1,0,0|1,0,1]=4 465 B11R1.451 CC1(C)C(CO)C1(N)C(=O)O Amb27408591 [1,0,0,1,0,0|1,0,1]=4 466 B11R1.673 C=C1C(=O)OC(C)C1C(=O)O Amb28291590 [1,0,0,1,0,0|1,0,1]=4 467 B11R1.673 CC1=CC(=O)C(O)C1C(C)C Amb27437295 [1,0,0,1,0,0|2,0,0]=4 468 B11R1.673 CC1=CC(=O)[C@H](O)[C@@H]1C(C)C Amb28429552 [1,0,0,1,0,0|2,0,0]=4 469 B11R1.673 C[C@@H]1OC(=O)[C@@H](C)[C@@H]1C(=O)O Amb27472015 [1,0,0,1,0,0|1,0,0]=3 470 B11R1.673 C[C@@H]1OC(=O)[C@H](N)[C@H]1C(=O)O Amb27444610 [1,0,0,1,0,0|1,0,0]=3 471 B11R1.673 C[C@H]1OC(=O)N(C)[C@@H]1C(=O)O Amb27634869 [1,0,0,1,0,0|2,0,0]=4 472 B11R1.723 CC(=O)C1CCC1(C)C(=O)O Amb25858072 [1,0,0,1,0,0|2,0,0]=4 473 B11R1.723 CC(=O)[C@@H]1CC[C@]1(C)C(=O)O Amb27409379 [1,0,0,1,0,0|2,0,0]=4 474 B11R1.723 CC(=O)[C@H]1CC[C@@]1(C)C(=O)O Amb27781464 [1,0,0,1,0,0|2,0,0]=4 475 B11R1.723 NC1(C(=O)O)CCC1C(=O)O Amb24381448 [1,0,0,1,0,0|1,0,0]=3 476 B11R1.1107 CC1(C)CCC1C(O)C(=O)O Amb28365752 [1,0,0,1,0,0|1,0,1]=4 477 B11R1.1109 C=C(C)C1(C(O)C(=O)O)CC1 Amb33199891 [1,0,0,1,0,0|2,0,0]=4 478 B11R1.1109 CC(C)C1(C(O)C(=O)O)CC1 Amb33360309 [1,0,0,1,0,0|1,0,1]=4 479 B11R1.1109 O=C(O)[C@H](O)C1(C(=O)O)CC1 Amb27816028 [1,0,0,1,0,0|0,0,0]=2 480 B11R1.1293 CC1C(C(=O)O)C1(Cl)C(=O)O Amb27945670 [1,0,0,1,0,0|1,0,0]=3 481 B11R1.1293 C[C@@H]1[C@@H](C(=O)O)[C@]1(C)C(=O)O Amb27858781 [1,0,0,1,0,0|1,0,0]=3 482 B11R1.1293 C[C@H]1[C@@H](C(=O)O)[C@]1(C)C(=O)O Amb27865565 [1,0,0,1,0,0|1,0,0]=3 483 B11R1.156 CC1C=CCC(C)C1C(=O)O Amb28285364 [1,0,0,1,0,0|2,0,0]=4 484 B11R1.156 CC1CCCC(O)C1C(=O)O Amb28422448 [1,0,0,1,0,0|1,0,1]=4 485 B11R1.156 C[C@@H]1C=CC[C@@H](C)[C@@H]1C(=O)O Amb27419926 [1,0,0,1,0,0|2,0,0]=4 486 B11R1.156 C[C@@H]1C=CC[C@@H](C)[C@H]1C(=O)O Amb27965066 [1,0,0,1,0,0|2,0,0]=4 487 B11R1.156 C[C@H]1C=CC[C@@H](C)[C@@H]1C(=O)O Amb27791746 [1,0,0,1,0,0|2,0,0]=4 488 B11R1.259 CCC1OC1(C(=O)O)C(C)C Amb27983779 [1,0,0,1,0,0|1,0,1]=4 489 B11R1.471 CC(C)C1C(=O)OCN1C=O Amb27872343 [1,0,0,1,0,0|2,0,0]=4 490 B11R1.471 O=CC1CCC(O)C1C(=O)O Amb28343067 [1,0,0,1,0,0|2,0,0]=4 491 B11R1.875 C[C@@H]1COC(=O)[C@H]1[C@@H](C)C=O Amb27620444 [1,0,0,1,0,0|1,0,0]=3 492 B11R1.167 C=C1CCC(C)C(C(=O)O)C1 Amb28119008 [1,0,0,1,0,0|2,0,0]=4 493 B11R1.167 CC(=O)C1CC(=O)CCC1C Amb27199692 [1,0,0,1,0,0|2,0,0]=4 494 B11R1.167 CC(=O)[C@@H]1CC(=O)CC[C@H]1C Amb27768027 [1,0,0,1,0,0|2,0,0]=4 495 B11R1.167 CC(C)C1CC(=O)CCC1=O Amb27272752 [1,0,0,1,0,0|2,0,0]=4 496 B11R1.167 CC(C)C1NC(=O)COC1=O Amb25233041 [1,0,0,1,0,0|2,0,0]=4 497 B11R1.167 CC1CCC(=O)CC1C(=O)O Amb32867785 [1,0,0,1,0,0|1,0,0]=3 498 B11R1.167 CC1CCC(=O)CC1C(N)=O Amb32865390 [1,0,0,1,0,0|2,0,0]=4 499 B11R1.167 CC1CCC(O)CC1C(=O)O Amb24392245 [1,0,0,1,0,0|1,0,1]=4 500 B11R1.167 CC1CC[C@H](O)C[C@H]1C(=O)O Amb28195098 [1,0,0,1,0,0|1,0,1]=4 501 B11R1.167 CC1CNC(=O)CC1C(=O)O Amb33099388 [1,0,0,1,0,0|1,0,0]=3 502 B11R1.167 CN1CCC(=O)CC1C(=O)O Amb18200028 [1,0,0,1,0,0|2,0,0]=4 503 B11R1.489 CC(=O)C1CC(=O)NC1(C)C Amb25807941 [1,0,0,1,0,0|2,0,0]=4 504 B11R1.489 CC(O)C1CC(=O)OC1(C)C Amb27481438 [1,0,0,1,0,0|1,0,1]=4 505 B11R1.489 CC1(C)CC(=O)CC1C(=O)O Amb27408973 [1,0,0,1,0,0|1,0,0]=3 506 B11R1.489 CC1(C)CC(=O)NC1C(=O)O Amb18126047 [1,0,0,1,0,0|2,0,0]=4 507 B11R1.489 CC1(C)CC(=O)N[C@@H]1C(=O)O Amb24551055 [1,0,0,1,0,0|2,0,0]=4 508 B11R1.489 CC1(C)CC(O)CC1C(=O)O Amb27233377 [1,0,0,1,0,0|1,0,1]=4 509 B11R1.489 CC1(C)NC(=O)CC1C(=O)O Amb33743833 [1,0,0,1,0,0|1,0,0]=3 510 B11R1.489 CC1(C)NC(=O)CC1C(N)=O Amb27782133 [1,0,0,1,0,0|2,0,0]=4 511 B11R1.489 CC1(C)OC(=O)CC1C(=O)O Amb533948 [1,0,0,1,0,0|0,0,0]=2 512 B11R1.489 CC1(C)OC(=O)CC1C(=O)[O-] Amb33513008 [1,0,0,1,0,0|0,0,1]=3 513 B11R1.489 CC1(C)OC(=O)CC1C(N)=O Amb27823318 [1,0,0,1,0,0|1,0,0]=3 514 B11R1.489 CC1(C)SC(=O)N[C@@H]1C(=O)O Amb27231722 [1,0,0,1,0,0|1,1,0]=4 515 B11R1.489 C[C@H](O)[C@@H]1CC(=O)OC1(C)C Amb27420285 [1,0,0,1,0,0|1,0,1]=4 516 B11R1.495 CC(=O)CN1C(=O)OCC1C Amb27613222 [1,0,0,1,0,0|2,0,0]=4 517 B11R1.495 CC1=NOC(=O)C1CC(=O)O Amb6740999 [1,0,0,1,0,0|1,0,1]=4 518 B11R1.495 CC1CCC(=O)N1CC(=O)O Amb27951860 [1,0,0,1,0,0|2,0,0]=4 519 B11R1.495 CC1COC(=O)N1CC(=O)O Amb18135653 [1,0,0,1,0,0|1,0,0]=3 520 B11R1.581 CC(C)C1(C(=O)O)CC(=O)C1 Amb24651079 [1,0,0,1,0,0|1,0,0]=3 521 B11R1.581 CC(C)C1(C(=O)O)CC(O)C1 Amb33360279 [1,0,0,1,0,0|1,0,1]=4 522 B11R1.581 CC(O)C1(C(=O)O)CC(=O)C1 Amb24552967 [1,0,0,1,0,0|2,0,0]=4 523 B11R1.732 C=C(C)C1C(C(=O)O)C1(C)C Amb33199506 [1,0,0,1,0,0|2,0,0]=4 524 B11R1.732 C=C(C)[C@@H]1[C@@H](C(=O)O)C1(C)C Amb33226188 [1,0,0,1,0,0|2,0,0]=4 525 B11R1.732 CC(=O)C1C(C(=O)Cl)C1(C)C Amb25798467 [1,0,0,1,0,0|2,0,0]=4 526 B11R1.732 CC(=O)C1C(C(=O)O)C1(C)C Amb27232878 [1,0,0,1,0,0|1,0,0]=3 527 B11R1.732 CC(=O)[C@@H]1[C@@H](C(=O)O)C1(C)C Amb27229293 [1,0,0,1,0,0|1,0,0]=3 528 B11R1.732 CC(=O)[C@H]1[C@H](C(=O)O)C1(C)C Amb27776755 [1,0,0,1,0,0|1,0,0]=3 529 B11R1.732 CC1(C)C(C(=O)O)C1C(=O)O Amb25102507 [1,0,0,1,0,0|0,0,0]=2 530 B11R1.732 CC1(C)C(C(=O)O)C1C(O)O Amb28142249 [1,0,0,1,0,0|0,0,2]=4 531 B11R1.732 CC1(C)C(C(N)=O)C1C(=O)O Amb24048905 [1,0,0,1,0,0|1,0,0]=3 532 B11R1.732 CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)O Amb27251977 [1,0,0,1,0,0|0,0,0]=2 533 B11R1.732 CC1(C)[C@@H](C(=O)O)[C@H]1C(N)=O Amb27764479 [1,0,0,1,0,0|1,0,0]=3 534 B11R1.732 CC1(C)[C@H](C(=O)O)[C@H]1C(=O)O Amb27467656 [1,0,0,1,0,0|0,0,0]=2 535 B11R1.732 O=C(O)C1C(C(=O)O)C1(Cl)Cl Amb1350468 [1,0,0,1,0,0|2,0,0]=4 536 B11R1.732 O=C(O)C1C(C(=O)O)C1(F)F Amb27793088 [1,0,0,1,0,0|2,0,0]=4 537 B11R1.925 CC(=O)N(CC(=O)O)C1CC1 Amb17400017 [1,0,0,1,0,0|2,0,0]=4 538 B11R1.925 CC(=O)NC(C(=O)O)C1CC1 Amb18300436 [1,0,0,1,0,0|2,0,0]=4 539 B11R1.925 O=C(O)CC(C(=O)O)C1CC1 Amb27990116 [1,0,0,1,0,0|0,0,0]=2 540 B13R1.165 CC(=O)C1CCC(C)CC1C(=O)O Amb27952088 [0,0,0,1,0,1|2,0,0]=4 541 B13R1.165 CC(C)C1CC(=O)CCC1C(=O)O Amb27209920 [0,0,0,1,0,1|2,0,0]=4 542 B13R1.165 CN1CCC(C(=O)O)C(C(=O)O)C1 Amb22751805 [0,0,0,1,0,1|2,0,0]=4 543 B13R1.165 C[C@H]1CC[C@H](C(=O)O)[C@@H](C(=O)O)C1 Amb27634921 [0,0,0,1,0,1|1,0,0]=3 544 B13R1.165 C[C@H]1CC[C@H](C(=O)O)[C@H](C(=O)O)C1 Amb27984874 [0,0,0,1,0,1|1,0,0]=3 545 B13R1.165 O=C(O)[C@H]1CC[C@H](O)C[C@H]1C(=O)O Amb27863616 [0,0,0,1,0,1|2,0,0]=4 546 B13R1.897 CC1CCC(=O)C(C(O)C(=O)O)C1 Amb28189368 [0,0,0,1,0,1|1,0,0]=3 547 B13R1.897 CC1CCC(=O)CC1C(N)C(=O)O Amb32865257 [0,0,0,1,0,1|2,0,0]=4 548 B13R1.1046 CC1(C)CC(C(=O)O)C(C(=O)O)C1 Amb27392277 [0,0,0,1,0,1|1,0,0]=3 549 B13R1.1046 CC1(C)OC(C(=O)O)C(C(=O)O)O1 Amb25983680 [0,0,0,1,0,1|0,0,0]=2 550 B13R1.1046 CC1(C)OC(C(N)=O)C(C(N)=O)O1 Amb2842261 [0,0,0,1,0,1|2,0,0]=4 551 B13R1.1046 CC1(C)O[C@@H](C(N)=O)[C@H](C(N)=O)O1 Amb2620521 [0,0,0,1,0,1|2,0,0]=4 552 B13R1.1046 CC1(C)O[C@H](C(=O)O)[C@@H](C(=O)O)O1 Amb27871539 [0,0,0,1,0,1|0,0,0]=2 553 B13R1.1046 CC1(C)O[C@H](C(N)=O)[C@@H](C(N)=O)O1 Amb22547599 [0,0,0,1,0,1|2,0,0]=4 554 B13R1.2015 CC1(C)C[C@@H](C(=O)O)[C@@H]1CC(=O)O Amb28244798 [0,0,0,1,0,1|1,0,0]=3 555 B13R1.2015 CC1(C)C[C@@H](C(=O)O)[C@H]1CC(=O)O Amb27477851 [0,0,0,1,0,1|1,0,0]=3 556 B13R1.3472 CC(C)C1CC(=O)C(C)C1C(=O)O Amb28132731 [0,0,0,1,0,1|2,0,0]=4 557 B13R1.3475 CC(C)C1CC(=O)OC1(C)C(=O)O Amb28291636 [0,0,0,1,0,1|1,0,0]=3 558 B13R1.3475 O=C1CC(O)(C(=O)O)C(C(=O)O)S1 Amb27781979 [0,0,0,1,0,1|1,0,1]=4 559 B13R1.3475 O=C1C[C@@](O)(C(=O)O)[C@@H](C(=O)O)O1 Amb25328555 [0,0,0,1,0,1|1,0,1]=4 560 B13R1.3496 CC(C)CN1C(=O)OCC1C(=O)O Amb24441341 [0,0,0,1,0,1|2,0,0]=4 561 B13R1.8371 CC1(C)OC(=O)C(C(O)C(=O)O)O1 Amb28250958 [0,0,0,1,0,1|0,0,0]=2 562 B13R1.8371 C[C@@H](C(=O)O)[C@@H]1OC(C)(C)OC1=O Amb27659026 [0,0,0,1,0,1|1,0,0]=3 563 B13R1.8371 C[C@@H](C(=O)O)[C@H]1OC(C)(C)OC1=O Amb28051913 [0,0,0,1,0,1|1,0,0]=3 564 B13R1.8785 C=C(C)C(O)C1[C@H](C(=O)O)C1(C)C Amb28121148 [0,0,0,1,0,1|2,0,0]=4 565 B13R1.8785 CC(=O)C(C)[C@@H]1[C@H](C(=O)O)C1(C)C Amb28052113 [0,0,0,1,0,1|2,0,0]=4 566 B13R1.8785 CC1(C)[C@@H](C(O)C(=O)O)[C@H]1C(=O)O Amb28052149 [0,0,0,1,0,1|0,0,0]=2 567 B13R1.13 CC(C)N1CC(C(=O)O)OCC1=O Amb25999844 [0,0,0,1,0,1|2,0,0]=4 568 B13R1.13 CC1CCC(C(=O)O)CC1C(=O)O Amb28397463 [0,0,0,1,0,1|1,0,0]=3 569 B13R1.13 NC1CCC(C(=O)O)CC1C(=O)O Amb27759277 [0,0,0,1,0,1|2,0,0]=4 570 B13R1.13 O=C(O)C1CCC(O)C(C(=O)O)C1 Amb27855974 [0,0,0,1,0,1|2,0,0]=4 571 B13R1.874 CC1=CC(C)(C)C(C(=O)O)CC1O Amb27390244 [0,0,0,1,0,1|2,0,0]=4 572 B13R1.1053 CC1(C)SC(C(=O)O)NC1C(=O)O Amb24611167 [0,0,0,1,0,1|0,1,0]=3 573 B13R1.1053 CC1(C)SC(C(=O)O)N[C@H]1C(=O)O Amb2755680 [0,0,0,1,0,1|0,1,0]=3 574 B13R1.1053 CC1(O)CC(C(=O)O)CC1C(=O)O Amb27873192 [0,0,0,1,0,1|2,0,0]=4 575 B13R1.3447 CC1CC(C(=O)O)(C(C)C)OC1=O Amb32947116 [0,0,0,1,0,1|1,0,0]=3 576 B13R1.7486 CC(C)C1CC(C)(C(=O)O)OC1=O Amb32947040 [0,0,0,1,0,1|1,0,0]=3 577 B13R1.7486 CC1CC(N)(C(=O)O)CC1C(=O)O Amb28396494 [0,0,0,1,0,1|1,0,0]=3 578 B13R1.7486 C[C@H]1C[C@@](N)(C(=O)O)C[C@@H]1C(=O)O Amb28385422 [0,0,0,1,0,1|1,0,0]=3 579 B13R1.2814 CC1CC(=O)CC(C)(C)C1C(=O)O Amb28119839 [0,0,0,1,0,1|2,0,0]=4 580 B13R1.3461 CC1NC(C(=O)O)C(C)C1C(=O)O Amb2695740 [0,0,0,1,0,1|2,0,0]=4 581 B13R1.3534 CC(C)C1C(=O)OCC1CC(=O)O Amb27985923 [0,0,0,1,0,1|1,0,0]=3 582 B13R1.3534 CC1COC(CC(=O)O)C1C(=O)O Amb27800377 [0,0,0,1,0,1|0,0,0]=2 583 B13R1.3534 C[C@@H]1CC[C@H](CC(=O)O)[C@H]1C(=O)O Amb28385582 [0,0,0,1,0,1|1,0,0]=3 584 B13R1.3534 N[C@@H]1CC[C@@H](CC(=O)O)[C@@H]1C(=O)O Amb28436881 [0,0,0,1,0,1|2,0,0]=4 585 B13R1.3534 N[C@@H]1CC[C@@H](CC(=O)O)[C@H]1C(=O)O Amb26980986 [0,0,0,1,0,1|2,0,0]=4 586 B13R1.3534 N[C@@H]1CC[C@H](CC(=O)O)[C@@H]1C(=O)O Amb25962737 [0,0,0,1,0,1|2,0,0]=4 587 B13R1.3534 N[C@@H]1CC[C@H](CC(=O)O)[C@H]1C(=O)O Amb28137966 [0,0,0,1,0,1|2,0,0]=4 588 B13R1.3534 N[C@H]1CC[C@@H](CC(=O)O)[C@@H]1C(=O)O Amb28051909 [0,0,0,1,0,1|2,0,0]=4 589 B13R1.3534 N[C@H]1CC[C@H](CC(=O)O)[C@H]1C(=O)O Amb27233409 [0,0,0,1,0,1|2,0,0]=4 590 B13R1.7498 CC(C)C1(C(=O)O)OC(=O)NC1=O Amb28366041 [0,0,0,1,0,1|0,0,2]=4 591 B13R1.295 CC(C)N1C(=O)COCC1C(=O)O Amb27406933 [0,1,0,1,0,0|2,0,0]=4 592 B13R1.295 CC1C=CCC(C(=O)O)C1C(=O)O Amb16186041 [0,1,0,1,0,0|1,0,1]=4 593 B13R1.295 CC1C=CC[C@@H](C(=O)O)[C@H]1C(=O)O Amb2721048 [0,1,0,1,0,0|1,0,1]=4 594 B13R1.295 CC1C=CC[C@H](C(=O)O)[C@@H]1C(=O)O Amb27478041 [0,1,0,1,0,0|1,0,1]=4 595 B13R1.295 CC1CC=CC(C(=O)O)C1C(=O)O Amb28343159 [0,1,0,1,0,0|1,0,0]=3 596 B13R1.295 CN1CCNC(C(=O)O)C1C(=O)O Amb18191120 [0,1,0,1,0,0|2,0,0]=4 597 B13R1.295 C[C@@H]1C=CC[C@@H](C(=O)O)[C@@H]1C(=O)O Amb27650552 [0,1,0,1,0,0|1,0,1]=4 598 B13R1.295 C[C@@H]1C=CC[C@@H](C(=O)O)[C@H]1C(=O)O Amb28384162 [0,1,0,1,0,0|1,0,1]=4 599 B13R1.295 C[C@@H]1C=CC[C@H](C(=O)O)[C@@H]1C(=O)O Amb33524395 [0,1,0,1,0,0|1,0,1]=4 600 B13R1.295 C[C@@H]1CC=C[C@H](C(=O)O)[C@@H]1C(=O)O Amb27210551 [0,1,0,1,0,0|1,0,0]=3 601 B13R1.295 C[C@@H]1CCC[C@H](C(=O)O)[C@H]1C(=O)O Amb27435432 [0,1,0,1,0,0|1,0,0]=3 602 B13R1.295 C[C@H]1C=CC[C@@H](C(=O)O)[C@H]1C(=O)O Amb10606788 [0,1,0,1,0,0|1,0,1]=4 603 B13R1.295 C[C@H]1C=CC[C@H](C(=O)O)[C@@H]1C(=O)O Amb27858848 [0,1,0,1,0,0|1,0,1]=4 604 B13R1.295 C[C@H]1CCC[C@@H](C(=O)O)[C@@H]1C(=O)O Amb27444691 [0,1,0,1,0,0|1,0,0]=3 605 B13R1.295 C[C@H]1CCN[C@@H](C(=O)O)[C@H]1C(=O)O Amb27984718 [0,1,0,1,0,0|1,0,0]=3 606 B13R1.1814 COC(=O)[C@@H]1[C@H](C)CC[C@H]1C(=O)O Amb27967069 [0,1,0,1,0,0|1,0,0]=3 607 B13R1.4819 COC(=O)C1C(O)C(=O)OC1(C)C Amb27764811 [0,1,0,1,0,0|0,0,0]=2 608 B13R1.4819 COC(=O)[C@@H]1[C@H](O)C(=O)OC1(C)C Amb27653080 [0,1,0,1,0,0|0,0,0]=2 609 B13R1.8065 CC1=C(C)C(F)(C(=O)O)C1C(=O)O Amb27605765 [0,1,0,1,0,0|1,0,1]=4 610 B13R1.8065 CC1=C(C)[C@@](F)(C(=O)O)[C@H]1C(=O)O Amb28051897 [0,1,0,1,0,0|1,0,1]=4 611 B13R1.898 CC1C(=O)CCC(C)(C)C1C(=O)O Amb28123174 [0,1,0,1,0,0|2,0,0]=4 612 B13R1.898 C[C@@H]1C(=O)CCC(C)(C)[C@H]1C(=O)O Amb28325618 [0,1,0,1,0,0|2,0,0]=4 613 B13R1.1796 CNC(=O)C1CC1(C(=O)O)C(C)C Amb33133171 [0,1,0,1,0,0|2,0,0]=4 614 B13R1.1796 COC(=O)[C@@H]1C[C@@]1(C(=O)O)C(C)C Amb33734273 [0,1,0,1,0,0|1,0,0]=3 615 B13R1.2649 COC(=O)C(O)N1C(=O)CC1(C)C Amb28079094 [0,1,0,1,0,0|2,0,0]=4 616 B13R1.2791 CC(C)(C)N1C(=O)OCC1C(=O)O Amb25198301 [0,1,0,1,0,0|2,0,0]=4 617 B13R1.8646 CC(=O)C1(C(C)(C)C)OC1C(=O)O Amb28119788 [0,1,0,1,0,0|1,0,0]=3 618 B13R1.11373 COC1(C(=O)O)C(C(=O)O)C1(C)C Amb28396495 [0,1,0,1,0,0|0,0,0]=2 619 B13R2.3749 O=C(O)C1NCC2CCC(=O)C21 Amb26461050 [0,0,0,2,0,0|2,0,0]=4 620 B13R2.4999 CC1C2CC(=O)C(C2)C1C(=O)O Amb27389325 [0,0,0,2,0,0|2,0,0]=4 621 B13R2.4999 C[C@H]1[C@@H]2CC(=O)[C@@H](C2)[C@@H]1C(=O)O Amb27878742 [0,0,0,2,0,0|2,0,0]=4 622 B13R2.4999 C[C@H]1[C@H](C(=O)O)[C@@H]2C[C@@H]1CC2=O Amb28436873 [0,0,0,2,0,0|2,0,0]=4 623 B13R2.4999 C[C@H]1[C@H]2CC(=O)[C@@H](C2)[C@@H]1C(=O)O Amb27490991 [0,0,0,2,0,0|2,0,0]=4 624 B13R2.10267 O=C(O)C1COC(=O)N1C2CC2 Amb24497400 [0,0,0,2,0,0|2,0,0]=4 625 B11R0.275 CCC(CC(N)C(=O)O)C(=O)O Amb4006858 [1,0,0,0,0,1|1,0,0]=3 626 B11R0.275 CCC(SC(C)C(=O)O)C(=O)O Amb17501326 [1,0,0,0,0,1|1,0,0]=3 627 B11R0.275 COC(CC(O)C(=O)O)C(C)C Amb33353449 [1,0,0,0,0,1|2,0,0]=4 628 B11R0.28 CC(=O)CCC(C(=O)O)C(C)C Amb533059 [1,0,0,0,0,1|1,0,0]=3 629 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O Amb32674919 [1,0,0,0,0,1|1,0,0]=3 630 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O Amb32674947 [1,0,0,0,0,1|1,0,0]=3 631 B11R0.32 C=C(C)C(CC(=O)O)CC(=O)O Amb32953577 [1,0,0,0,0,1|0,0,2]=4 632 B11R0.32 CC(=O)C(CC(=O)O)NC(C)C Amb18610978 [1,0,0,0,0,1|1,0,0]=3 633 B11R0.32 CC(=O)N(CC(=O)O)CC(C)C Amb17400383 [1,0,0,0,0,1|2,0,0]=4 634 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O Amb3499381 [1,0,0,0,0,1|1,0,1]=4 635 B11R0.32 CC(=O)NC(CC(=O)O)C(C)C Amb33042693 [1,0,0,0,0,1|1,0,0]=3 636 B11R0.32 CC(=O)NC(CC(C)C)C(=O)O Amb2543580 [1,0,0,0,0,1|2,0,0]=4 637 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O Amb8628593 [1,0,0,0,0,1|1,0,1]=4 638 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(C)C Amb33253810 [1,0,0,0,0,1|1,0,0]=3 639 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)O Amb2722946 [1,0,0,0,0,1|2,0,0]=4 640 B11R0.32 CC(=O)N[C@H](CC(=O)O)C(C)C Amb33308358 [1,0,0,0,0,1|1,0,0]=3 641 B11R0.32 CC(=O)N[C@H](CC(C)C)C(=O)O Amb2732384 [1,0,0,0,0,1|2,0,0]=4 642 B11R0.32 CC(C)C(CC(=O)O)CC(=O)O Amb18647811 [1,0,0,0,0,1|0,0,0]=2 643 B11R0.32 CC(C)CC(CC(=O)O)C(=O)O Amb33072394 [1,0,0,0,0,1|0,0,0]=2 644 B11R0.32 CC(C)CC(NC(N)=O)C(=O)O Amb1150066 [1,0,0,0,0,1|2,0,0]=4 645 B13R0.352 CC(CCC(C(=O)O)C(C)C)C(=O)O Amb17777882 [0,0,0,0,0,2|1,0,0]=3