0 B9R0.79 C=C(C(N)C(O)=O)C(N)=O Amb25316245 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.79 C=C(C(N)C(O)=O)C(O)=O Amb18644186 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.79 C=C(C(O)=O)C(=C)C(O)=O Amb18643786 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.79 C=C(C(O)C(O)=O)C(O)=O Amb20671613 [0,0,0,0,0,0|1,1,1]=3 4 B9R0.79 CC(=C)C(O)C(C)C(O)=O Amb18644101 [0,0,0,0,0,0|3,1,0]=4 5 B9R0.79 CC(=C)[C@@H](C)[C@H](C)C(O)=O Amb24480381 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.79 CC(=C)[C@@H](O)[C@H](C)C(O)=O Amb24599978 [0,0,0,0,0,0|3,1,0]=4 7 B9R0.79 CC(=C)[C@H](C)[C@H](C)C(O)=O Amb25122106 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.79 CC(=C)[C@H](O)[C@@H](C)C(O)=O Amb25111582 [0,0,0,0,0,0|3,1,0]=4 9 B9R0.79 CC(=O)C(=C)C(O)C(O)=O Amb24563821 [0,0,0,0,0,0|2,1,1]=4 10 B9R0.79 CC(=O)C(C)C(C)C(O)=O Amb24401092 [0,0,0,0,0,0|3,0,0]=3 11 B9R0.79 CC(=O)C(C)C(N)C(O)=O Amb18202116 [0,0,0,0,0,0|3,0,0]=3 12 B9R0.79 CC(=O)C(C)C(O)C(O)=O Amb25341155 [0,0,0,0,0,0|2,1,0]=3 13 B9R0.79 CC(=O)C(O)C(C)C(O)=O Amb25255327 [0,0,0,0,0,0|2,1,0]=3 14 B9R0.79 CC(=O)C(O)C(O)C(O)=O Amb25292189 [0,0,0,0,0,0|1,2,0]=3 15 B9R0.79 CC(=O)N(C)C(C)C(O)=O Amb18288022 [0,0,0,0,0,0|4,0,0]=4 16 B9R0.79 CC(=O)N(C)[C@@H](C)C(O)=O Amb25709201 [0,0,0,0,0,0|4,0,0]=4 17 B9R0.79 CC(=O)[C@@H](C)[C@@H](C)C(C)=O Amb25146730 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.79 CC(=O)[C@@H](C)[C@H](C)C(O)=O Amb25771163 [0,0,0,0,0,0|3,0,0]=3 19 B9R0.79 CC(=O)[C@@H](C)[C@H](N)C(O)=O Amb25703453 [0,0,0,0,0,0|3,0,0]=3 20 B9R0.79 CC(=O)[C@@H](O)[C@@H](O)C(C)=O Amb17666645 [0,0,0,0,0,0|2,2,0]=4 21 B9R0.79 CC(=O)[C@@H](O)[C@H](C)C(O)=O Amb25077192 [0,0,0,0,0,0|2,1,0]=3 22 B9R0.79 CC(=O)[C@@H](O)[C@H](O)C(C)=O Amb25146821 [0,0,0,0,0,0|2,2,0]=4 23 B9R0.79 CC(=O)[C@H](C)[C@H](C)C(O)=O Amb25805859 [0,0,0,0,0,0|3,0,0]=3 24 B9R0.79 CC(=O)[C@H](C)[C@H](O)C(O)=O Amb24376865 [0,0,0,0,0,0|2,1,0]=3 25 B9R0.79 CC(C(=C)C(O)=O)C(O)=O Amb18644063 [0,0,0,0,0,0|2,0,1]=3 26 B9R0.79 CC(C(C)C(=O)Cl)C(=O)Cl Amb22347385 [0,0,0,0,0,0|4,0,0]=4 27 B9R0.79 CC(C(Cl)C(C)=O)C(C)=O Amb24357432 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.79 CC(C(O)=O)=C(C)C(O)=O Amb24712245 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.79 CC(C(O)=O)N(C)C(N)=O Amb18962712 [0,0,0,0,0,0|4,0,0]=4 30 B9R0.79 CC(C(O)C(N)=O)C(O)=O Amb25728281 [0,0,0,0,0,0|2,1,0]=3 31 B9R0.79 CC(C)[C@@H](S)[C@H](N)C(O)=O Amb25302326 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.79 CC(O)C(C)C(N)C(O)=O Amb21953714 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.79 CC(O)C(C)[C@@H](N)C(O)=O Amb22800202 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.79 CC(O)[C@@H](C)[C@@H](N)C(O)=O Amb24052812 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.79 CC([C@@H](N)C(O)=O)C(O)=O Amb22745450 [0,0,0,0,0,0|2,0,0]=2 36 B9R0.79 CC([C@@H]([C@@H](C(=O)O)N)C)O Amb10603785 [0,0,0,0,0,0|3,0,1]=4 37 B9R0.79 CN(O)C(C)C(C)C(O)=O Amb24540667 [0,0,0,0,0,0|4,0,0]=4 38 B9R0.79 C[C@@H](O)C(O)[C@H](N)C(O)=O Amb24435507 [0,0,0,0,0,0|2,1,1]=4 39 B9R0.79 C[C@@H](O)[C@@H](C)[C@@H](N)C(O)=O Amb25693814 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.79 C[C@@H](O)[C@@H](C)[C@H](N)C(O)=O Amb24340188 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.79 C[C@@H](O)[C@H](O)[C@@H](O)C(O)=O Amb24482345 [0,0,0,0,0,0|1,2,1]=4 42 B9R0.79 C[C@@H](O)[C@H](O)[C@H](O)C(O)=O Amb24711187 [0,0,0,0,0,0|1,2,1]=4 43 B9R0.79 C[C@@H]([C@@H](C)C(O)=O)C(O)=O Amb22801175 [0,0,0,0,0,0|2,0,0]=2 44 B9R0.79 C[C@@H]([C@H](N)C(O)=O)C(O)=O Amb22756698 [0,0,0,0,0,0|2,0,0]=2 45 B9R0.79 C[C@H](C(=C)C(O)=O)C(O)=O Amb24480380 [0,0,0,0,0,0|2,0,1]=3 46 B9R0.79 C[C@H](O)C(C)[C@H](N)C(O)=O Amb22735316 [0,0,0,0,0,0|3,0,1]=4 47 B9R0.79 C[C@H](O)[C@@H](O)[C@@H](O)C(O)=O Amb25374422 [0,0,0,0,0,0|1,2,1]=4 48 B9R0.79 C[C@H]([C@@H](C)C(O)=O)C(N)=O Amb25113911 [0,0,0,0,0,0|3,0,0]=3 49 B9R0.79 C[C@H]([C@@H]([C@@H](C(=O)O)N)C)O Amb17615448 [0,0,0,0,0,0|3,0,1]=4 50 B9R0.79 C[C@H]([C@H](C)C(N)=O)C(N)=O Amb25091711 [0,0,0,0,0,0|4,0,0]=4 51 B9R0.79 C[C@H]([C@H](Cl)C(O)=O)C(O)=O Amb25684803 [0,0,0,0,0,0|2,0,0]=2 52 B9R0.79 C[C@H]([C@H](N)C(O)=O)C(O)=O Amb25324829 [0,0,0,0,0,0|2,0,0]=2 53 B9R0.79 C\C(\C(O)=O)=C(/C)\C(O)=O Amb18644072 [0,0,0,0,0,0|2,0,2]=4 54 B9R0.79 C\C(\C(O)=O)=C(\C)/C(O)=O Amb24308873 [0,0,0,0,0,0|2,0,2]=4 55 B9R0.79 NC(=O)C(Br)C(Br)C(N)=O Amb25243175 [0,0,0,0,0,0|4,0,0]=4 56 B9R0.79 NC(=O)C(F)C(N)C(O)=O Amb25300324 [0,0,0,0,0,0|3,0,0]=3 57 B9R0.79 NC(=O)C(F)[C@H](N)C(O)=O Amb24691333 [0,0,0,0,0,0|3,0,0]=3 58 B9R0.79 NC(=O)C(O)C(F)C(N)=O Amb24710117 [0,0,0,0,0,0|3,1,0]=4 59 B9R0.79 NC(=O)C(O)C(N)C(O)=O Amb25218088 [0,0,0,0,0,0|2,1,0]=3 60 B9R0.79 NC(=O)C(O)C(O)C(O)=O Amb24112928 [0,0,0,0,0,0|1,2,0]=3 61 B9R0.79 NC(=O)C(S)C(S)C(N)=O Amb25804691 [0,0,0,0,0,0|2,0,0]=2 62 B9R0.79 NC(=O)[C@@H](N)[C@H](O)C(O)=O Amb24584998 [0,0,0,0,0,0|2,1,0]=3 63 B9R0.79 NC(=O)[C@@H](O)[C@@H](O)C(N)=O Amb25738404 [0,0,0,0,0,0|2,2,0]=4 64 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(O)=O Amb24763774 [0,0,0,0,0,0|2,1,0]=3 65 B9R0.79 NC(=O)[C@@H](O)[C@H](O)C(O)=O Amb25147369 [0,0,0,0,0,0|1,2,0]=3 66 B9R0.79 NC(=O)[C@H](N)[C@H](N)C(O)=O Amb24358166 [0,0,0,0,0,0|3,0,0]=3 67 B9R0.79 NC(=O)[C@H](N)[C@H](O)C(O)=O Amb25789713 [0,0,0,0,0,0|2,1,0]=3 68 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(N)=O Amb24385859 [0,0,0,0,0,0|2,2,0]=4 69 B9R0.79 NC(=O)[C@H](O)[C@H](O)C(O)=O Amb24630392 [0,0,0,0,0,0|1,2,0]=3 70 B9R0.79 NC(=S)C(O)C(O)C(O)=O Amb25855735 [0,0,0,0,0,0|1,3,0]=4 71 B9R0.79 NC(C(Br)C(O)=O)C(O)=O Amb18657078 [0,0,0,0,0,0|2,0,0]=2 72 B9R0.79 NC(C(Cl)C(O)=O)C(O)=O Amb18126453 [0,0,0,0,0,0|2,0,0]=2 73 B9R0.79 NC(C(F)C(O)=O)C(O)=O Amb24061061 [0,0,0,0,0,0|2,0,0]=2 74 B9R0.79 NC(C(N)C(O)=O)C(O)=O Amb18124865 [0,0,0,0,0,0|2,0,0]=2 75 B9R0.79 NC(C(N)C(O)=O)C(O)=O Amb24117894 [0,0,0,0,0,0|2,0,0]=2 76 B9R0.79 NC(C(O)=O)=C(N)C(O)=O Amb25349480 [0,0,0,0,0,0|2,0,2]=4 77 B9R0.79 NC(C(O)C(N)=O)C(N)=O Amb25733436 [0,0,0,0,0,0|3,1,0]=4 78 B9R0.79 NC([C@H](O)C(O)=O)C(O)=O Amb24513602 [0,0,0,0,0,0|1,1,0]=2 79 B9R0.79 N[C@@H](C(O)C(O)=O)C(O)=O Amb22229324 [0,0,0,0,0,0|1,1,0]=2 80 B9R0.79 N[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb24087715 [0,0,0,0,0,0|1,1,0]=2 81 B9R0.79 N[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb24117974 [0,0,0,0,0,0|1,1,0]=2 82 B9R0.79 N[C@H]([C@@H](C(=O)O)N)C(=O)O Amb10072362 [0,0,0,0,0,0|2,0,0]=2 83 B9R0.79 N[C@H]([C@@H](F)C(O)=O)C(O)=O Amb22229006 [0,0,0,0,0,0|2,0,0]=2 84 B9R0.79 N[C@H]([C@@H](N)C(O)=O)C(O)=O Amb22802394 [0,0,0,0,0,0|2,0,0]=2 85 B9R0.79 N[C@H]([C@@H](O)C(O)=O)C(O)=O Amb17942870 [0,0,0,0,0,0|1,1,0]=2 86 B9R0.79 N[C@H]([C@H](F)C(O)=O)C(O)=O Amb24634454 [0,0,0,0,0,0|2,0,0]=2 87 B9R0.79 N[C@H]([C@H](O)C(N)=O)C(N)=O Amb24359322 [0,0,0,0,0,0|3,1,0]=4 88 B9R0.79 N\C(\C(O)=O)=C(/N)\C(O)=O Amb24578776 [0,0,0,0,0,0|2,0,2]=4 89 B9R0.79 OC(=O)C(=O)C(=O)C(O)=O Amb22234966 [0,0,0,0,0,0|0,2,2]=4 90 B9R0.79 OC(=O)C(C(C(=O)O)C)Cl Amb17594150 [0,0,0,0,0,0|2,0,0]=2 91 B9R0.79 OC(=O)C(C(C(=O)O)C)N Amb2099482 [0,0,0,0,0,0|2,0,0]=2 92 B9R0.79 OC(=O)C(C(C(=O)O)C)O Amb17593680 [0,0,0,0,0,0|1,1,0]=2 93 B9R0.79 OC(=O)C(C(C(=O)O)O)Cl Amb17594225 [0,0,0,0,0,0|1,1,0]=2 94 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb16224824 [0,0,0,0,0,0|0,2,0]=2 95 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb2553366 [0,0,0,0,0,0|0,2,0]=2 96 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb2553386 [0,0,0,0,0,0|0,2,0]=2 97 B9R0.79 OC(=O)C(Cl)=C(Cl)C(O)=O Amb25173036 [0,0,0,0,0,0|2,0,2]=4 98 B9R0.79 OC(=O)C(F)C(Br)C(O)=O Amb24759132 [0,0,0,0,0,0|2,0,0]=2 99 B9R0.79 OC(=O)C(F)C(F)C(O)=O Amb24482465 [0,0,0,0,0,0|2,0,0]=2 100 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22732623 [0,0,0,0,0,0|0,2,0]=2 101 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22747860 [0,0,0,0,0,0|0,2,0]=2 102 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22904195 [0,0,0,0,0,0|0,2,0]=2 103 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb24107517 [0,0,0,0,0,0|0,2,0]=2 104 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb24668916 [0,0,0,0,0,0|0,2,0]=2 105 B9R0.79 OC(=O)[C@@H](Cl)[C@@H](Cl)C(O)=O Amb25146239 [0,0,0,0,0,0|2,0,0]=2 106 B9R0.79 OC(=O)[C@@H](F)[C@H](Cl)C(O)=O Amb25061294 [0,0,0,0,0,0|2,0,0]=2 107 B9R0.79 OC(=O)[C@@H](O)[C@@H](O)C(O)=O Amb22230832 [0,0,0,0,0,0|0,2,0]=2 108 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb19884028 [0,0,0,0,0,0|0,2,0]=2 109 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22224835 [0,0,0,0,0,0|0,2,0]=2 110 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22750609 [0,0,0,0,0,0|0,2,0]=2 111 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22756774 [0,0,0,0,0,0|0,2,0]=2 112 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22800414 [0,0,0,0,0,0|0,2,0]=2 113 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22801138 [0,0,0,0,0,0|0,2,0]=2 114 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22801799 [0,0,0,0,0,0|0,2,0]=2 115 B9R0.79 OC(=O)[C@H](C(C(=O)O)C)N Amb16232531 [0,0,0,0,0,0|2,0,0]=2 116 B9R0.79 OC(=O)[C@H](Cl)[C@@H](Cl)C(O)=O Amb24390367 [0,0,0,0,0,0|2,0,0]=2 117 B9R0.79 OC(=O)[C@H](F)[C@H](Cl)C(O)=O Amb25774512 [0,0,0,0,0,0|2,0,0]=2 118 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb19884026 [0,0,0,0,0,0|0,2,0]=2 119 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb20240604 [0,0,0,0,0,0|0,2,0]=2 120 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb20670711 [0,0,0,0,0,0|0,2,0]=2 121 B9R0.79 OC(=O)[C@H](S)[C@@H](S)C(O)=O Amb25374645 [0,0,0,0,0,0|0,0,0]=0 122 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)N)O Amb17615140 [0,0,0,0,0,0|1,1,0]=2 123 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)O)O Amb10604195 [0,0,0,0,0,0|0,2,0]=2 124 B9R0.79 OC(=O)\C(\Br)=C(\Br)/C(O)=O Amb22347940 [0,0,0,0,0,0|2,0,2]=4 125 B9R0.79 OC(=O)\C(\Cl)=C(\Cl)/C(O)=O Amb18522185 [0,0,0,0,0,0|2,0,2]=4 126 B9R0.79 OC(=O)\C(\F)=C(\Cl)/C(O)=O Amb24711227 [0,0,0,0,0,0|2,0,2]=4 127 B9R0.79 OC(=O)\C(\O)=C(/O)\C(O)=O Amb18511532 [0,0,0,0,0,0|0,2,2]=4 128 B9R0.79 OC(C(C(=O)C)O)C(=O)C Amb17593650 [0,0,0,0,0,0|2,2,0]=4 129 B9R0.79 OC(C(C(=O)[O-])O)C(=O)[O-] Amb10558451 [0,0,0,0,0,0|0,2,2]=4 130 B9R0.79 OC(C(F)C(O)=O)C(O)=O Amb24479232 [0,0,0,0,0,0|1,1,0]=2 131 B9R0.79 OC(C(O)C(=O)Cl)C(=O)Cl Amb25187317 [0,0,0,0,0,0|2,2,0]=4 132 B9R0.79 OC(C(S)C(O)=O)C(O)=O Amb25776261 [0,0,0,0,0,0|0,1,0]=1 133 B9R0.79 O[C@@H]([C@@H](Cl)C(O)=O)C(O)=O Amb24524583 [0,0,0,0,0,0|1,1,0]=2 134 B9R0.79 O[C@@H]([C@H](Br)C(O)=O)C(O)=O Amb24680321 [0,0,0,0,0,0|1,1,0]=2 135 B9R0.79 O[C@@H]([C@H](F)C(O)=O)C(O)=O Amb24470062 [0,0,0,0,0,0|1,1,0]=2 136 B9R0.79 O[C@H]([C@@H](Cl)C(O)=O)C(O)=O Amb24390265 [0,0,0,0,0,0|1,1,0]=2 137 B9R0.79 O[C@H]([C@@H](O)C(=O)Cl)C(=O)Cl Amb25831919 [0,0,0,0,0,0|2,2,0]=4 138 B9R0.79 O\C(=C(\C(=O)O)/O)\C(=O)O Amb17593679 [0,0,0,0,0,0|0,2,2]=4 139 B9R0.79 [2H]\C(\C(O)=O)=C(\[2H])/C(O)=O Amb22338640 [0,0,0,0,0,0|2,0,2]=4 140 B9R0.79 [O-]C(=O)C(O)C(O)C(O)=O Amb20246422 [0,0,0,0,0,0|0,2,1]=3 141 B9R0.79 [O-]C(=O)C(O)C(O)C(O)=O Amb22052542 [0,0,0,0,0,0|0,2,1]=3 142 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb19959974 [0,0,0,0,0,0|0,2,2]=4 143 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb20246805 [0,0,0,0,0,0|0,2,2]=4 144 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22043187 [0,0,0,0,0,0|0,2,2]=4 145 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22051664 [0,0,0,0,0,0|0,2,2]=4 146 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22052534 [0,0,0,0,0,0|0,2,2]=4 147 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22052640 [0,0,0,0,0,0|0,2,2]=4 148 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22054182 [0,0,0,0,0,0|0,2,2]=4 149 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22167369 [0,0,0,0,0,0|0,2,2]=4 150 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22230382 [0,0,0,0,0,0|0,2,2]=4 151 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22338780 [0,0,0,0,0,0|0,2,2]=4 152 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22730412 [0,0,0,0,0,0|0,2,2]=4 153 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22730657 [0,0,0,0,0,0|0,2,2]=4 154 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22731372 [0,0,0,0,0,0|0,2,2]=4 155 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22732246 [0,0,0,0,0,0|0,2,2]=4 156 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22732893 [0,0,0,0,0,0|0,2,2]=4 157 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22733947 [0,0,0,0,0,0|0,2,2]=4 158 B9R0.79 [O-]C(=O)C(O)C(O)C([O-])=O Amb22733989 [0,0,0,0,0,0|0,2,2]=4 159 B9R0.79 [O-]C(=O)[C@@H](O)[C@@H](O)C([O-])=O Amb22801615 [0,0,0,0,0,0|0,2,2]=4 160 B9R0.79 [O-]C(=O)[C@@H](O)[C@H](O)C(O)=O Amb22348349 [0,0,0,0,0,0|0,2,1]=3 161 B9R0.79 [O-]C(=O)[C@@H](O)[C@H](O)C(O)=O Amb22800925 [0,0,0,0,0,0|0,2,1]=3 162 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C(O)=O Amb22353007 [0,0,0,0,0,0|0,2,1]=3 163 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22336596 [0,0,0,0,0,0|0,2,2]=4 164 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22337906 [0,0,0,0,0,0|0,2,2]=4 165 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22348174 [0,0,0,0,0,0|0,2,2]=4 166 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22348226 [0,0,0,0,0,0|0,2,2]=4 167 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22348279 [0,0,0,0,0,0|0,2,2]=4 168 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O Amb22350400 [0,0,0,0,0,0|0,2,2]=4 169 B9R0.79 [O-]C(C(O)C([O-])=O)C([O-])=O Amb22043193 [0,0,0,0,0,0|0,2,2]=4 170 B8R0.2 C=CC(O)C(N)C(O)=O Amb18642830 [1,0,0,0,0,0|2,1,0]=4 171 B8R0.2 C=C[C@@H](O)[C@H](N)C(O)=O Amb25111565 [1,0,0,0,0,0|2,1,0]=4 172 B8R0.2 C=C[C@H](O)[C@H](N)C(O)=O Amb25328036 [1,0,0,0,0,0|2,1,0]=4 173 B8R0.2 CC(=O)C(O)C(O)C=O Amb24633454 [1,0,0,0,0,0|1,2,0]=4 174 B8R0.2 CC(=O)[C@@H](O)[C@@H](O)C=O Amb25032290 [1,0,0,0,0,0|1,2,0]=4 175 B8R0.2 CC(C(C)C=C)C(O)=O Amb18642611 [1,0,0,0,0,0|3,0,0]=4 176 B8R0.2 CC(C(C)C=O)C(O)=O Amb24468282 [1,0,0,0,0,0|2,0,0]=3 177 B8R0.2 CC(C(O)=O)N(C)C=O Amb18284942 [1,0,0,0,0,0|3,0,0]=4 178 B8R0.2 CC(C(O)C=C)C(O)=O Amb18642774 [1,0,0,0,0,0|2,1,0]=4 179 B8R0.2 CC(C=C)C(Br)C(O)=O Amb25102712 [1,0,0,0,0,0|3,0,0]=4 180 B8R0.2 CC(C=C)C(F)C(O)=O Amb24426918 [1,0,0,0,0,0|3,0,0]=4 181 B8R0.2 CC(C=C)C(N)C(O)=O Amb18989861 [1,0,0,0,0,0|3,0,0]=4 182 B8R0.2 CC(C=C)C(O)C(O)=O Amb18642750 [1,0,0,0,0,0|2,1,0]=4 183 B8R0.2 CC(C=O)C(N)C(O)=O Amb24374650 [1,0,0,0,0,0|2,0,0]=3 184 B8R0.2 CCC(S)C(N)C(O)=O Amb24365228 [1,0,0,0,0,0|2,0,1]=4 185 B8R0.2 CCC(S)[C@@H](N)C(O)=O Amb24604283 [1,0,0,0,0,0|2,0,1]=4 186 B8R0.2 CN(C=O)C(O)C(O)=O Amb24069122 [1,0,0,0,0,0|2,1,0]=4 187 B8R0.2 C[C@@H](C(O)=O)N(C)C=O Amb24558225 [1,0,0,0,0,0|3,0,0]=4 188 B8R0.2 C[C@@H](C=C)[C@H](N)C(O)=O Amb24340139 [1,0,0,0,0,0|3,0,0]=4 189 B8R0.2 C[C@@H](C=O)[C@H](N)C(O)=O Amb25142449 [1,0,0,0,0,0|2,0,0]=3 190 B8R0.2 C[C@@H](CC)[C@@H](S)C(O)=O Amb24388715 [1,0,0,0,0,0|2,0,1]=4 191 B8R0.2 C[C@@H](CO)[C@@H](N)C(O)=O Amb24117487 [1,0,0,0,0,0|2,0,1]=4 192 B8R0.2 C[C@@H](CO)[C@H](N)C(O)=O Amb24117488 [1,0,0,0,0,0|2,0,1]=4 193 B8R0.2 C[C@@H]([C@@H](C)C=C)C(O)=O Amb24721924 [1,0,0,0,0,0|3,0,0]=4 194 B8R0.2 C[C@@H]([C@@H](C)C=O)C(O)=O Amb24470204 [1,0,0,0,0,0|2,0,0]=3 195 B8R0.2 C[C@@H]([C@@H](C)CO)C(O)=O Amb24696822 [1,0,0,0,0,0|2,0,1]=4 196 B8R0.2 C[C@@H]([C@H](O)C=C)C(O)=O Amb24622455 [1,0,0,0,0,0|2,1,0]=4 197 B8R0.2 C[C@H](C=C)[C@@H](N)C(O)=O Amb24460813 [1,0,0,0,0,0|3,0,0]=4 198 B8R0.2 C[C@H](C=C)[C@H](Br)C(O)=O Amb25074908 [1,0,0,0,0,0|3,0,0]=4 199 B8R0.2 C[C@H](C=C)[C@H](Cl)C(O)=O Amb24361246 [1,0,0,0,0,0|3,0,0]=4 200 B8R0.2 C[C@H](C=C)[C@H](F)C(O)=O Amb25138124 [1,0,0,0,0,0|3,0,0]=4 201 B8R0.2 C[C@H](C=O)[C@@H](O)C(C)=O Amb25768475 [1,0,0,0,0,0|2,1,0]=4 202 B8R0.2 C[C@H]([C@H](C)C=C)C(O)=O Amb24528497 [1,0,0,0,0,0|3,0,0]=4 203 B8R0.2 NC(C(O)CO)C(O)=O Amb18642974 [1,0,0,0,0,0|1,1,1]=4 204 B8R0.2 NC(CO)C(O)C(O)=O Amb25270055 [1,0,0,0,0,0|1,1,1]=4 205 B8R0.2 N[C@@H](CO)[C@H](O)C(O)=O Amb25738857 [1,0,0,0,0,0|1,1,1]=4 206 B8R0.2 N[C@@H]([C@@H](O)CO)C(O)=O Amb25678241 [1,0,0,0,0,0|1,1,1]=4 207 B8R0.2 N[C@@H]([C@H](N)CO)C(O)=O Amb24761920 [1,0,0,0,0,0|2,0,1]=4 208 B8R0.2 N[C@@H]([C@H](O)CO)C(O)=O Amb24674136 [1,0,0,0,0,0|1,1,1]=4 209 B8R0.2 N[C@H](CO)[C@H](O)C(O)=O Amb25090400 [1,0,0,0,0,0|1,1,1]=4 210 B8R0.2 N[C@H]([C@@H](O)CO)C(O)=O Amb25836554 [1,0,0,0,0,0|1,1,1]=4 211 B8R0.2 N[C@H]([C@H](O)CO)C(O)=O Amb24671346 [1,0,0,0,0,0|1,1,1]=4 212 B8R0.2 OC(=O)C(=O)C(Br)C=O Amb25074432 [1,0,0,0,0,0|1,1,1]=4 213 B8R0.2 OC(=O)C(=O)C(Cl)C=O Amb25363255 [1,0,0,0,0,0|1,1,1]=4 214 B8R0.2 OC(C(O)C=O)C(O)=O Amb18124399 [1,0,0,0,0,0|0,2,0]=3 215 B8R0.2 OCC(O)C(O)C(O)=O Amb22495524 [1,0,0,0,0,0|0,2,1]=4 216 B8R0.2 OC[C@@H](O)[C@H](O)C(O)=O Amb22801448 [1,0,0,0,0,0|0,2,1]=4 217 B8R0.2 OC[C@H](O)[C@H](O)C(O)=O Amb25223742 [1,0,0,0,0,0|0,2,1]=4 218 B8R0.23 C=C(Br)C(O)CC(O)=O Amb24648348 [1,0,0,0,0,0|2,1,0]=4 219 B8R0.23 C=C(Br)CC(N)C(O)=O Amb24557771 [1,0,0,0,0,0|3,0,0]=4 220 B8R0.23 C=C(Br)C[C@@H](N)C(O)=O Amb22746251 [1,0,0,0,0,0|3,0,0]=4 221 B8R0.23 C=C(CC(=O)Cl)C(O)=O Amb25227983 [1,0,0,0,0,0|2,0,1]=4 222 B8R0.23 C=C(CC(N)=O)C(O)=O Amb24333452 [1,0,0,0,0,0|2,0,1]=4 223 B8R0.23 C=C(CC(O)=O)C(N)=O Amb22011744 [1,0,0,0,0,0|2,0,1]=4 224 B8R0.23 C=C(Cl)CC(N)C(O)=O Amb24411473 [1,0,0,0,0,0|3,0,0]=4 225 B8R0.23 C=C(F)CC(N)C(O)=O Amb24580886 [1,0,0,0,0,0|3,0,0]=4 226 B8R0.23 C=C(I)CC(N)C(O)=O Amb25842052 [1,0,0,0,0,0|3,0,0]=4 227 B8R0.23 CC(=C)C(C)CC(O)=O Amb18642614 [1,0,0,0,0,0|3,0,0]=4 228 B8R0.23 CC(=C)C(O)CC(O)=O Amb18642756 [1,0,0,0,0,0|2,1,0]=4 229 B8R0.23 CC(=C)CC(C)C(O)=O Amb24471924 [1,0,0,0,0,0|3,0,0]=4 230 B8R0.23 CC(=C)CC(O)C(O)=O Amb24534477 [1,0,0,0,0,0|2,1,0]=4 231 B8R0.23 CC(=C)C[C@@H](C(=O)O)C Amb10843988 [1,0,0,0,0,0|3,0,0]=4 232 B8R0.23 CC(=C)C[C@@H](C)C(O)=O Amb24340253 [1,0,0,0,0,0|3,0,0]=4 233 B8R0.23 CC(=C)C[C@@H](N)C(O)=O Amb22801689 [1,0,0,0,0,0|3,0,0]=4 234 B8R0.23 CC(=C)C[C@H](N)C(O)=O Amb25757900 [1,0,0,0,0,0|3,0,0]=4 235 B8R0.23 CC(=C)[C@@H](O)CC(O)=O Amb25789715 [1,0,0,0,0,0|2,1,0]=4 236 B8R0.23 CC(=O)C(C)CC(O)=O Amb18292788 [1,0,0,0,0,0|2,0,0]=3 237 B8R0.23 CC(=O)C(Cl)CC(O)=O Amb24426109 [1,0,0,0,0,0|2,0,0]=3 238 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [1,0,0,0,0,0|3,0,0]=4 239 B8R0.23 CC(=O)C(O)CC(O)=O Amb25341886 [1,0,0,0,0,0|1,1,0]=3 240 B8R0.23 CC(=O)CC(=O)C(O)=O Amb18642736 [1,0,0,0,0,0|1,1,1]=4 241 B8R0.23 CC(=O)CC(Br)C(O)=O Amb24710683 [1,0,0,0,0,0|2,0,0]=3 242 B8R0.23 CC(=O)CC(C)C(O)=S Amb24061827 [1,0,0,0,0,0|2,1,0]=4 243 B8R0.23 CC(=O)CC(N)C(O)=O Amb18832532 [1,0,0,0,0,0|2,0,0]=3 244 B8R0.23 CC(=O)CC(N)C(O)=O Amb22546289 [1,0,0,0,0,0|2,0,0]=3 245 B8R0.23 CC(=O)CC(O)C(O)=O Amb22500917 [1,0,0,0,0,0|1,1,0]=3 246 B8R0.23 CC(=O)C[C@@H](C)C(O)=O Amb24369598 [1,0,0,0,0,0|2,0,0]=3 247 B8R0.23 CC(=O)C[C@@H](N)C(O)=O Amb22745939 [1,0,0,0,0,0|2,0,0]=3 248 B8R0.23 CC(=O)C[C@H](O)C(O)=O Amb24358758 [1,0,0,0,0,0|1,1,0]=3 249 B8R0.23 CC(=O)NC(O)C(O)=O Amb25146184 [1,0,0,0,0,0|2,1,0]=4 250 B8R0.23 CC(=O)N[C@H](C)C(O)=O Amb19944277 [1,0,0,0,0,0|3,0,0]=4 251 B8R0.23 CC(=O)OC(C)C(O)=O Amb22360672 [1,0,0,0,0,0|3,0,0]=4 252 B8R0.23 CC(=O)SC(C)C(O)=O Amb25719066 [1,0,0,0,0,0|3,0,0]=4 253 B8R0.23 CC(=O)[C@@H](C)CC(O)=O Amb25145964 [1,0,0,0,0,0|2,0,0]=3 254 B8R0.23 CC(=O)[C@@H](N)CC(O)=O Amb25064775 [1,0,0,0,0,0|2,0,0]=3 255 B8R0.23 CC(=O)[C@H](C)CC(O)=O Amb25360184 [1,0,0,0,0,0|2,0,0]=3 256 B8R0.23 CC(=S)CC(C)C(O)=O Amb24588975 [1,0,0,0,0,0|2,1,0]=4 257 B8R0.23 CC(C)CC(S)C(O)=O Amb18296292 [1,0,0,0,0,0|2,0,1]=4 258 B8R0.23 CC(C)C[C@H](S)C(O)=O Amb24457027 [1,0,0,0,0,0|2,0,1]=4 259 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [1,0,0,0,0,0|3,0,0]=4 260 B8R0.23 CC(CC(O)=O)=P(O)=O Amb25264110 [1,0,0,0,0,0|2,0,1]=4 261 B8R0.23 CC(CC(O)=O)C(N)=O Amb25737942 [1,0,0,0,0,0|2,0,0]=3 262 B8R0.23 CC(CC(O)=O)S(C)=O Amb18974545 [1,0,0,0,0,0|3,0,0]=4 263 B8R0.23 CC(CN(C)O)C(O)=O Amb24540617 [1,0,0,0,0,0|3,0,0]=4 264 B8R0.23 CC(CS(C)=O)C(O)=O Amb18974546 [1,0,0,0,0,0|3,0,0]=4 265 B8R0.23 CC(O)C(C)CC(O)=O Amb18293276 [1,0,0,0,0,0|2,0,1]=4 266 B8R0.23 CC(O)CC(C)C(O)=O Amb18293277 [1,0,0,0,0,0|2,0,1]=4 267 B8R0.23 CC(O)CC(N)C(O)=O Amb18642918 [1,0,0,0,0,0|2,0,1]=4 268 B8R0.23 CS(=O)CC(N)C(O)=O Amb18125279 [1,0,0,0,0,0|3,0,0]=4 269 B8R0.23 CS(=O)CC(O)C(O)=O Amb24692848 [1,0,0,0,0,0|2,1,0]=4 270 B8R0.23 CS(=O)C[C@@H](C(=O)O)N Amb16232229 [1,0,0,0,0,0|3,0,0]=4 271 B8R0.23 CS(=O)C[C@@H](N)C(O)=O Amb22745418 [1,0,0,0,0,0|3,0,0]=4 272 B8R0.23 C[C@@H](CC(O)=O)C(O)=O Amb22226742 [1,0,0,0,0,0|1,0,0]=2 273 B8R0.23 C[C@@H](O)C[C@H](N)C(O)=O Amb25162814 [1,0,0,0,0,0|2,0,1]=4 274 B8R0.23 C[C@@H](O)[C@@H](O)CC(O)=O Amb25267600 [1,0,0,0,0,0|1,1,1]=4 275 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O Amb22168848 [1,0,0,0,0,0|2,0,1]=4 276 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O Amb22756696 [1,0,0,0,0,0|2,0,1]=4 277 B8R0.23 C[C@H](CC(N)=O)C(N)=O Amb25126983 [1,0,0,0,0,0|3,0,0]=4 278 B8R0.23 C[C@H](CC(N)=O)C(O)=O Amb25077589 [1,0,0,0,0,0|2,0,0]=3 279 B8R0.23 C[C@H](CC(O)=O)C(O)=O Amb22225399 [1,0,0,0,0,0|1,0,0]=2 280 B8R0.23 C[C@H](O)C[C@@H](C)C(O)=O Amb25114249 [1,0,0,0,0,0|2,0,1]=4 281 B8R0.23 C[C@H](O)C[C@H](N)C(O)=O Amb24461394 [1,0,0,0,0,0|2,0,1]=4 282 B8R0.23 C[C@H](OC(N)=O)C(O)=O Amb24427686 [1,0,0,0,0,0|3,0,0]=4 283 B8R0.23 NC(=O)C(Br)CC(N)=O Amb24373945 [1,0,0,0,0,0|3,0,0]=4 284 B8R0.23 NC(=O)C(N)CC(N)=O Amb18289248 [1,0,0,0,0,0|3,0,0]=4 285 B8R0.23 NC(=O)C(N)CC(O)=O Amb18124347 [1,0,0,0,0,0|2,0,0]=3 286 B8R0.23 NC(=O)C(O)CC(O)=O Amb25378786 [1,0,0,0,0,0|1,1,0]=3 287 B8R0.23 NC(=O)CC(=O)C(O)=O Amb25146116 [1,0,0,0,0,0|1,1,1]=4 288 B8R0.23 NC(=O)C[C@@H](C(=O)N)N Amb16183882 [1,0,0,0,0,0|3,0,0]=4 289 B8R0.23 NC(=O)C[C@@H](C(=O)O)C Amb10843937 [1,0,0,0,0,0|2,0,0]=3 290 B8R0.23 NC(=O)C[C@@H](O)C(O)=O Amb24681022 [1,0,0,0,0,0|1,1,0]=3 291 B8R0.23 NC(=O)C[C@H](Br)C(O)=O Amb25137878 [1,0,0,0,0,0|2,0,0]=3 292 B8R0.23 NC(=O)C[C@H](C(=O)O)N Amb10071271 [1,0,0,0,0,0|2,0,0]=3 293 B8R0.23 NC(=O)C[C@H](Cl)C(O)=O Amb24479999 [1,0,0,0,0,0|2,0,0]=3 294 B8R0.23 NC(=O)C[C@H]([15NH2])C(O)=O Amb22338491 [1,0,0,0,0,0|2,0,0]=3 295 B8R0.23 NC(=O)NC(N)C(O)=O Amb24418886 [1,0,0,0,0,0|3,0,0]=4 296 B8R0.23 NC(=O)NC(O)C(O)=O Amb22350130 [1,0,0,0,0,0|2,1,0]=4 297 B8R0.23 NC(=O)NC(O)C(O)=O Amb24592607 [1,0,0,0,0,0|2,1,0]=4 298 B8R0.23 NC(=O)[C@@H](N)CC(N)=O Amb22801077 [1,0,0,0,0,0|3,0,0]=4 299 B8R0.23 NC(=O)[C@@H](N)CC(O)=O Amb19334954 [1,0,0,0,0,0|2,0,0]=3 300 B8R0.23 NC(=O)[C@@H](O)CC(N)=O Amb24435465 [1,0,0,0,0,0|2,1,0]=4 301 B8R0.23 NC(=O)[C@H](Br)CC(N)=O Amb24480049 [1,0,0,0,0,0|3,0,0]=4 302 B8R0.23 NC(=S)CC(N)C(O)=O Amb24728838 [1,0,0,0,0,0|2,1,0]=4 303 B8R0.23 NC(CC(O)=O)C(O)=O Amb22730002 [1,0,0,0,0,0|1,0,0]=2 304 B8R0.23 NC(CC(O)=O)C([O-])=O Amb20241398 [1,0,0,0,0,0|1,0,1]=3 305 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22167994 [1,0,0,0,0,0|1,0,1]=3 306 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22330537 [1,0,0,0,0,0|1,0,1]=3 307 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22337568 [1,0,0,0,0,0|1,0,1]=3 308 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22349433 [1,0,0,0,0,0|1,0,1]=3 309 B8R0.23 NC(CC(O)=O)[13C](O)=O Amb22351321 [1,0,0,0,0,0|1,0,0]=2 310 B8R0.23 NC(CC([O-])=O)C(O)=O Amb22731484 [1,0,0,0,0,0|1,0,1]=3 311 B8R0.23 NC(CC([O-])=O)C([O-])=O Amb22168247 [1,0,0,0,0,0|1,0,2]=4 312 B8R0.23 NC(CS(=O)=O)C(O)=O Amb24480078 [1,0,0,0,0,0|2,0,1]=4 313 B8R0.23 NC(CS(N)=O)C(O)=O Amb25139436 [1,0,0,0,0,0|3,0,0]=4 314 B8R0.23 NC(CS(O)=O)C(O)=O Amb21913242 [1,0,0,0,0,0|2,0,0]=3 315 B8R0.23 NC(C[13C](O)=O)C(O)=O Amb22362630 [1,0,0,0,0,0|1,0,0]=2 316 B8R0.23 NC(C[13C](O)=O)[13C](O)=O Amb22353605 [1,0,0,0,0,0|1,0,0]=2 317 B8R0.23 NC(C[N+]([O-])=O)C(O)=O Amb24642660 [1,0,0,0,0,0|2,0,1]=4 318 B8R0.23 NC([13CH2]C(O)=O)C(O)=O Amb22336729 [1,0,0,0,0,0|1,0,0]=2 319 B8R0.23 N[13C@@H](CC(O)=O)[13C](O)=O Amb22353606 [1,0,0,0,0,0|1,0,0]=2 320 B8R0.23 N[13C](=O)[13CH2][13C@H](N)[13C](O)=O Amb22367522 [1,0,0,0,0,0|2,0,0]=3 321 B8R0.23 N[C@@H](CB(O)O)C(O)=O Amb25844412 [1,0,0,0,0,0|2,0,1]=4 322 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb20241378 [1,0,0,0,0,0|1,0,1]=3 323 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22337725 [1,0,0,0,0,0|1,0,1]=3 324 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22352336 [1,0,0,0,0,0|1,0,1]=3 325 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22748705 [1,0,0,0,0,0|1,0,1]=3 326 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22801032 [1,0,0,0,0,0|1,0,1]=3 327 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb20240565 [1,0,0,0,0,0|1,0,1]=3 328 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb22748769 [1,0,0,0,0,0|1,0,1]=3 329 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb17772217 [1,0,0,0,0,0|1,0,2]=4 330 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb17912733 [1,0,0,0,0,0|1,0,2]=4 331 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb22750690 [1,0,0,0,0,0|1,0,2]=4 332 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb22757383 [1,0,0,0,0,0|1,0,2]=4 333 B8R0.23 N[C@@H](C[13C](N)=O)C(O)=O Amb22353613 [1,0,0,0,0,0|2,0,0]=3 334 B8R0.23 N[C@@H](C[N+]([O-])=O)C(O)=O Amb25710255 [1,0,0,0,0,0|2,0,1]=4 335 B8R0.23 N[C@@H]([13CH2][13C](O)=O)C(O)=O Amb22367550 [1,0,0,0,0,0|1,0,0]=2 336 B8R0.23 N[C@H](CC(N)=O)C(O)=O Amb17749060 [1,0,0,0,0,0|2,0,0]=3 337 B8R0.23 N[C@H](CC(O)=O)P(O)=O Amb25838846 [1,0,0,0,0,0|2,0,0]=3 338 B8R0.23 N[C@H](CS(O)=O)C(O)=O Amb24366002 [1,0,0,0,0,0|2,0,0]=3 339 B8R0.23 O=C(Cl)[C@H](Cl)CC(=O)Cl Amb24710716 [1,0,0,0,0,0|3,0,0]=4 340 B8R0.23 OC(=O)C(=S)CC(O)=O Amb25304511 [1,0,0,0,0,0|0,0,2]=3 341 B8R0.23 OC(=O)C(Cl)CS(O)=O Amb25708099 [1,0,0,0,0,0|2,0,0]=3 342 B8R0.23 OC(=O)C(F)CC(O)=O Amb25077170 [1,0,0,0,0,0|1,0,0]=2 343 B8R0.23 OC(=O)C(O)CC(=O)S Amb25690206 [1,0,0,0,0,0|0,2,0]=3 344 B8R0.23 OC(=O)C(O)CC(O)=O Amb21935660 [1,0,0,0,0,0|0,1,0]=2 345 B8R0.23 OC(=O)C(S)CC(O)=O Amb22729564 [1,0,0,0,0,0|0,0,0]=1 346 B8R0.23 OC(=O)CC(=O)C(=O)C Amb17593364 [1,0,0,0,0,0|1,1,1]=4 347 B8R0.23 OC(=O)CC(C(=O)O)C Amb1935053 [1,0,0,0,0,0|1,0,0]=2 348 B8R0.23 OC(=O)CC(O)C(=O)Cl Amb25700438 [1,0,0,0,0,0|1,1,0]=3 349 B8R0.23 OC(=O)CC(O)C(O)=O Amb22734584 [1,0,0,0,0,0|0,1,0]=2 350 B8R0.23 OC(=O)CC([N+](=O)[O-])O Amb2222216 [1,0,0,0,0,0|1,1,1]=4 351 B8R0.23 OC(=O)CN(C(=O)C)C Amb1111693 [1,0,0,0,0,0|3,0,0]=4 352 B8R0.23 OC(=O)CN(C(=O)N)C Amb2371395 [1,0,0,0,0,0|3,0,0]=4 353 B8R0.23 OC(=O)C[C@@H](C(=O)O)N Amb16232085 [1,0,0,0,0,0|1,0,0]=2 354 B8R0.23 OC(=O)C[C@@H]([C@@H](O)C)N Amb16184021 [1,0,0,0,0,0|2,0,1]=4 355 B8R0.23 OC(=O)[13CH](O)CC(O)=O Amb22367337 [1,0,0,0,0,0|0,1,0]=2 356 B8R0.23 OC(=O)[C@@H](Cl)CC(O)=O Amb20242425 [1,0,0,0,0,0|1,0,0]=2 357 B8R0.23 OC(=O)[C@@H](S)CC(O)=O Amb22504526 [1,0,0,0,0,0|0,0,0]=1 358 B8R0.23 OC(=O)[C@H](Br)CC(O)=O Amb22504149 [1,0,0,0,0,0|1,0,0]=2 359 B8R0.23 OC(=O)[C@H](Cl)CC(O)=O Amb20242424 [1,0,0,0,0,0|1,0,0]=2 360 B8R0.23 OC(=O)[C@H](S)CC(O)=O Amb25124090 [1,0,0,0,0,0|0,0,0]=1 361 B8R0.23 OC(=O)\C(\Br)=C/C(O)=O Amb25746120 [1,0,0,0,0,0|1,0,2]=4 362 B8R0.23 OC(=O)\C(\Cl)=C/C(O)=O Amb24481892 [1,0,0,0,0,0|1,0,2]=4 363 B8R0.23 OC(=O)\C(\F)=C/C(O)=O Amb18124397 [1,0,0,0,0,0|1,0,2]=4 364 B8R0.23 OC(=O)\C(\I)=C/C(O)=O Amb25736420 [1,0,0,0,0,0|1,0,2]=4 365 B8R0.23 OC(CC(=O)Cl)C(=O)Cl Amb25680528 [1,0,0,0,0,0|2,1,0]=4 366 B8R0.23 OC(O)C[C@@H](O)C(O)=O Amb24524214 [1,0,0,0,0,0|0,1,2]=4 367 B8R0.23 O[13C](=O)[13CH2][13CH]([13C](=O)O)O Amb17616665 [1,0,0,0,0,0|0,1,0]=2 368 B8R0.23 O[C@@H](CC(=O)Cl)C(=O)Cl Amb25832731 [1,0,0,0,0,0|2,1,0]=4 369 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22337484 [1,0,0,0,0,0|2,0,0]=3 370 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22351412 [1,0,0,0,0,0|2,0,0]=3 371 B8R0.23 [15NH2]C(CC(O)=O)C(O)=O Amb22731529 [1,0,0,0,0,0|1,0,0]=2 372 B8R0.23 [15NH2][13C@@H]([13CH2][13C](O)=O)[13C](O)=O Amb22353584 [1,0,0,0,0,0|1,0,0]=2 373 B8R0.23 [15NH2][13CH](CC(O)=O)C(O)=O Amb22351286 [1,0,0,0,0,0|1,0,0]=2 374 B8R0.23 [15NH2][13C](=O)[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337495 [1,0,0,0,0,0|2,0,0]=3 375 B8R0.23 [15NH2][C@@H](CC(O)=O)[13C](O)=O Amb22367524 [1,0,0,0,0,0|1,0,0]=2 376 B8R0.23 [O-]C(=O)C(O)CC([O-])=O Amb22230371 [1,0,0,0,0,0|0,1,2]=4 377 B8R0.23 [O-]C(=O)C([S-])CC([O-])=O Amb22337769 [1,0,0,0,0,0|0,0,3]=4 378 B8R0.23 [O-]C(=O)CC(O)C(O)=O Amb22734911 [1,0,0,0,0,0|0,1,1]=3 379 B8R0.23 [O-]C(=O)[C@@H](O)CC([O-])=O Amb22351833 [1,0,0,0,0,0|0,1,2]=4 380 B8R0.23 [O-]C(=O)[C@@H](O)CC([O-])=O Amb22801345 [1,0,0,0,0,0|0,1,2]=4 381 B10R0.56 CC(=O)C(C)C(N)C(=O)OC Amb25385594 [0,1,0,0,0,0|3,0,0]=4 382 B10R0.56 CC(=O)C(O)C(C)C(=O)OC Amb24765450 [0,1,0,0,0,0|2,1,0]=4 383 B10R0.56 CC(=O)C(O)C(O)C(=O)CO Amb24766922 [0,1,0,0,0,0|1,2,0]=4 384 B10R0.56 CC(=O)[C@@H](C)[C@H](C)C(=O)OC Amb24766906 [0,1,0,0,0,0|3,0,0]=4 385 B10R0.56 CC(=O)[C@@H](O)[C@H](O)C(=O)CO Amb24766744 [0,1,0,0,0,0|1,2,0]=4 386 B10R0.56 CC(C(C)C(=O)OC)C(O)=O Amb18126244 [0,1,0,0,0,0|2,0,0]=3 387 B10R0.56 CC(C(N)C(O)=O)C(=O)CC Amb25384577 [0,1,0,0,0,0|3,0,0]=4 388 B10R0.56 CNC(=O)C(S)C(S)C(O)=O Amb24635736 [0,1,0,0,0,0|1,0,0]=2 389 B10R0.56 CNC(=O)[C@H](O)[C@@H](N)C(O)=O Amb25139365 [0,1,0,0,0,0|2,1,0]=4 390 B10R0.56 COC(=O)C(N)C(O)C(O)=O Amb25386035 [0,1,0,0,0,0|1,1,0]=3 391 B10R0.56 COC(=O)C(O)C(N)C(O)=O Amb18645752 [0,1,0,0,0,0|1,1,0]=3 392 B10R0.56 COC(=O)C(O)C(O)C(N)=O Amb25385692 [0,1,0,0,0,0|1,2,0]=4 393 B10R0.56 COC(=O)C(O)C(O)C(O)=O Amb25384902 [0,1,0,0,0,0|0,2,0]=3 394 B10R0.56 COC(=O)N(C)C(C)C(O)=O Amb18299738 [0,1,0,0,0,0|3,0,0]=4 395 B10R0.56 COC(=O)[C@@H](O)[C@@H](O)C(O)=O Amb25386184 [0,1,0,0,0,0|0,2,0]=3 396 B10R0.56 COC(=O)[C@@H](O)[C@H](O)C(O)=O Amb24764738 [0,1,0,0,0,0|0,2,0]=3 397 B10R0.56 COC(=O)[C@@H](S)[C@@H](S)C(O)=O Amb25385027 [0,1,0,0,0,0|0,0,0]=1 398 B10R0.56 COC(=O)[C@H](O)[C@@H](O)C(O)=O Amb24763072 [0,1,0,0,0,0|0,2,0]=3 399 B10R0.56 COC(=O)[C@H](O)[C@H](O)C(O)=O Amb25384903 [0,1,0,0,0,0|0,2,0]=3 400 B10R0.56 C[C@@H]([C@@H](N)C(=O)OC)C(O)=O Amb25384959 [0,1,0,0,0,0|2,0,0]=3 401 B10R0.56 C[C@H](C(C)C(=O)OC)C(O)=O Amb25382125 [0,1,0,0,0,0|2,0,0]=3 402 B10R0.56 C[C@H]([C@@H](C)C(=O)OC)C(O)=O Amb25382126 [0,1,0,0,0,0|2,0,0]=3 403 B10R0.56 NC(=O)[C@H](O)[C@@H](O)C(=O)NO Amb24554069 [0,1,0,0,0,0|1,2,0]=4 404 B10R0.56 NC(C(O)C(O)=O)C(=O)NO Amb25137237 [0,1,0,0,0,0|1,1,0]=3 405 B10R0.56 N[C@H]([C@H](O)C(O)=O)C(=O)NO Amb25320870 [0,1,0,0,0,0|1,1,0]=3 406 B10R0.56 OC(=O)C(O)C(O)C(=O)CO Amb25386045 [0,1,0,0,0,0|0,2,0]=3 407 B10R0.56 OC(=O)[C@H](O)[C@H](O)C(=O)CO Amb25384320 [0,1,0,0,0,0|0,2,0]=3 408 B10R0.56 OC(C=O)C(O)C(O)C(O)=O Amb25386026 [0,1,0,0,0,0|0,2,1]=4 409 B10R0.56 O[C@@H](C=O)[C@H](O)[C@H](O)C(O)=O Amb25382134 [0,1,0,0,0,0|0,2,1]=4 410 B10R0.56 O[C@H](C=O)[C@@H](O)[C@H](O)C(O)=O Amb25384908 [0,1,0,0,0,0|0,2,1]=4 411 B10R0.56 O[C@H](C=O)[C@H](O)[C@H](O)C(O)=O Amb25386191 [0,1,0,0,0,0|0,2,1]=4 412 B10R0.76 CC(=O)C(C)C(CC)C(O)=O Amb25385211 [0,1,0,0,0,0|3,0,0]=4 413 B10R0.76 CC(=O)N(C)[C@@H](CS)C(O)=O Amb25384898 [0,1,0,0,0,0|3,0,0]=4 414 B10R0.76 CC(C(C#N)C(O)=O)C(O)=O Amb18126038 [0,1,0,0,0,0|2,0,0]=3 415 B10R0.76 CC(C(CC)C(O)=O)C(O)=O Amb18645266 [0,1,0,0,0,0|2,0,0]=3 416 B10R0.76 CCC(C(=C)C(O)=O)C(O)=O Amb18644986 [0,1,0,0,0,0|2,0,1]=4 417 B10R0.76 CCC(C(N)C(O)=O)C(O)=O Amb18126279 [0,1,0,0,0,0|2,0,0]=3 418 B10R0.76 CCC(C(O)C(O)=O)C(O)=O Amb25386294 [0,1,0,0,0,0|1,1,0]=3 419 B10R0.76 CC[C@@H]([C@@H](N)C(O)=O)C(O)=O Amb25384074 [0,1,0,0,0,0|2,0,0]=3 420 B10R0.76 CC[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb25384853 [0,1,0,0,0,0|1,1,0]=3 421 B10R0.76 CC[C@@H]([C@H](N)C(O)=O)C(O)=O Amb25384854 [0,1,0,0,0,0|2,0,0]=3 422 B10R0.76 CC[C@@H]([C@H](O)C(O)=O)C(O)=O Amb25386189 [0,1,0,0,0,0|1,1,0]=3 423 B10R0.76 CC[C@H]([C@@H](N)C(O)=O)C(O)=O Amb25384075 [0,1,0,0,0,0|2,0,0]=3 424 B10R0.76 CC[C@H]([C@H](O)C(O)=O)C(O)=O Amb25386188 [0,1,0,0,0,0|1,1,0]=3 425 B10R0.76 CNC(C(F)C(O)=O)C(O)=O Amb25385881 [0,1,0,0,0,0|2,0,0]=3 426 B10R0.76 CNC(C(O)C(O)=O)C(O)=O Amb25384603 [0,1,0,0,0,0|1,1,0]=3 427 B10R0.76 CN[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb25385032 [0,1,0,0,0,0|1,1,0]=3 428 B10R0.76 CN[C@@H]([C@H](F)C(O)=O)C(O)=O Amb25385879 [0,1,0,0,0,0|2,0,0]=3 429 B10R0.76 CN[C@H]([C@@H](F)C(O)=O)C(O)=O Amb25385880 [0,1,0,0,0,0|2,0,0]=3 430 B10R0.76 COC(C(O)C(O)=O)C(O)=O Amb18126399 [0,1,0,0,0,0|0,2,0]=3 431 B10R0.76 CSC(C(O)C(O)=O)C(O)=O Amb25384602 [0,1,0,0,0,0|0,1,0]=2 432 B10R0.76 CSC([C@H](N)C(O)=O)C(O)=O Amb25385026 [0,1,0,0,0,0|1,0,0]=2 433 B10R0.76 CS[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb25385031 [0,1,0,0,0,0|0,1,0]=2 434 B10R0.76 C[C@@H]([C@H](NC)C(O)=O)C(O)=O Amb25385166 [0,1,0,0,0,0|2,0,0]=3 435 B10R0.76 C[C@@H]([C@H](NO)C(O)=O)C(O)=O Amb25384961 [0,1,0,0,0,0|1,1,0]=3 436 B10R0.76 C[C@H](C(C#N)C(O)=O)C(O)=O Amb24533567 [0,1,0,0,0,0|2,0,0]=3 437 B10R0.76 C\C=C(\C(C)C(O)=O)/C(O)=O Amb24487821 [0,1,0,0,0,0|2,0,1]=4 438 B10R0.76 C\C=C(\C(O)C(O)=O)/C(O)=O Amb25125245 [0,1,0,0,0,0|1,1,1]=4 439 B10R0.76 C\C=C(\[C@@H](O)C(O)=O)/C(O)=O Amb25237640 [0,1,0,0,0,0|1,1,1]=4 440 B10R0.76 NC(C(CN)C(O)=O)C(O)=O Amb25385681 [0,1,0,0,0,0|2,0,0]=3 441 B10R0.76 NCC(C(O)C(O)=O)C(O)=O Amb23596978 [0,1,0,0,0,0|1,1,0]=3 442 B10R0.76 NNC(C(Cl)C(O)=O)C(O)=O Amb25384583 [0,1,0,0,0,0|2,0,0]=3 443 B10R0.76 N[C@@H](C(CN)C(O)=O)C(O)=O Amb25384089 [0,1,0,0,0,0|2,0,0]=3 444 B10R0.76 N[C@@H](C(CO)C(O)=O)C(O)=O Amb25384088 [0,1,0,0,0,0|1,1,0]=3 445 B10R0.117 CC(=O)C(C)(C)C(C)C(O)=O Amb25216922 [0,1,0,0,0,0|3,0,0]=4 446 B10R0.117 CC(=O)C(C)C(C)(O)C(O)=O Amb24513741 [0,1,0,0,0,0|2,1,0]=4 447 B10R0.117 CC(C(O)=O)C(C)(C)C(N)=O Amb24366530 [0,1,0,0,0,0|3,0,0]=4 448 B10R0.117 CC(C(O)=O)C(C)(C)C(O)=O Amb18126238 [0,1,0,0,0,0|2,0,0]=3 449 B10R0.117 CC(C(O)=O)C(C)(O)C(O)=O Amb18126313 [0,1,0,0,0,0|1,1,0]=3 450 B10R0.117 CC(C)(C(Br)C(O)=O)C(O)=O Amb25089525 [0,1,0,0,0,0|2,0,0]=3 451 B10R0.117 CC(C)(C(Cl)C(O)=O)C(O)=O Amb24426116 [0,1,0,0,0,0|2,0,0]=3 452 B10R0.117 CC(C)(C(N)C(O)=O)S(O)=O Amb24487834 [0,1,0,0,0,0|3,0,0]=4 453 B10R0.117 CC(C)(C(O)C(O)=O)C(O)=O Amb18126316 [0,1,0,0,0,0|1,1,0]=3 454 B10R0.117 CC(C)([C@@H](N)C(O)=O)S(O)=O Amb24080020 [0,1,0,0,0,0|3,0,0]=4 455 B10R0.117 CC(C)([C@@H](O)C(O)=O)C(O)=O Amb25737704 [0,1,0,0,0,0|1,1,0]=3 456 B10R0.117 CC(Cl)(C(O)C(O)=O)C(O)=O Amb24373174 [0,1,0,0,0,0|1,1,0]=3 457 B10R0.117 CC(N)(C(O)C(O)=O)C(O)=O Amb24443031 [0,1,0,0,0,0|1,1,0]=3 458 B10R0.117 CC(O)(C(Cl)C(O)=O)C(O)=O Amb25362209 [0,1,0,0,0,0|1,1,0]=3 459 B10R0.117 CC(O)(C(O)C(O)=O)C(O)=O Amb24390843 [0,1,0,0,0,0|0,2,0]=3 460 B10R0.117 C[C@@](O)([C@H](N)C(O)=O)C(O)=O Amb24621926 [0,1,0,0,0,0|1,1,0]=3 461 B10R0.117 C[C@H](C(O)=O)C(C)(C)C(O)=O Amb25765664 [0,1,0,0,0,0|2,0,0]=3 462 B10R0.117 C[C@](O)([C@@H](O)C(O)=O)C(O)=O Amb25060701 [0,1,0,0,0,0|0,2,0]=3 463 B10R0.117 NC(=O)C(F)(F)C(N)C(O)=O Amb24739799 [0,1,0,0,0,0|3,0,0]=4 464 B10R0.117 NC(C(O)=O)C(F)(F)C(O)=O Amb24558165 [0,1,0,0,0,0|2,0,0]=3 465 B10R0.117 OC(=O)C(F)(F)C(F)C(O)=O Amb19887297 [0,1,0,0,0,0|2,0,0]=3 466 B10R0.117 O[C@@H](C(O)=O)C(F)(F)C(O)=O Amb25060758 [0,1,0,0,0,0|1,1,0]=3 467 B10R0.154 N[C@H]([C@@H](N)C(O)=O)P(O)(O)=O Amb24701606 [0,1,0,0,0,0|3,0,0]=4 468 B10R1.116 OC(=O)[C@@H](O)[C@H]1CCC1=O Amb24615393 [0,0,0,1,0,0|2,1,0]=4 469 B10R1.116 OC(=O)[C@H](O)[C@@H]1CCC1=O Amb25246299 [0,0,0,1,0,0|2,1,0]=4 470 B10R1.194 C=C1C(COC1=O)C(O)=O Amb18643787 [0,0,0,1,0,0|2,0,1]=4 471 B10R1.194 CC(=O)[C@@H]1COC(=O)[C@@H]1C Amb18202639 [0,0,0,1,0,0|3,0,0]=4 472 B10R1.194 CC(=O)[C@H]1COC(=O)[C@@H]1C Amb25273006 [0,0,0,1,0,0|3,0,0]=4 473 B10R1.194 CC1C(CCC1=O)C(O)=O Amb18643836 [0,0,0,1,0,0|3,0,0]=4 474 B10R1.194 CC1C(NCC1=O)C(O)=O Amb25054606 [0,0,0,1,0,0|3,0,0]=4 475 B10R1.194 CC1[C@H](CCC1=O)C(O)=O Amb24538053 [0,0,0,1,0,0|3,0,0]=4 476 B10R1.194 CN1C(COC1=O)C(O)=O Amb25800781 [0,0,0,1,0,0|3,0,0]=4 477 B10R1.194 C[C@@H]1[C@@H](COC1=O)C(O)=O Amb25174801 [0,0,0,1,0,0|2,0,0]=3 478 B10R1.194 C[C@@H]1[C@H](C=CC1=O)C(O)=O Amb24514916 [0,0,0,1,0,0|3,0,0]=4 479 B10R1.194 C[C@@H]1[C@H](NCC1=O)C(O)=O Amb18831599 [0,0,0,1,0,0|3,0,0]=4 480 B10R1.194 C[C@H]1[C@H](COC1=O)C(O)=O Amb24562397 [0,0,0,1,0,0|2,0,0]=3 481 B10R1.194 NC1C(CNC1=O)C(O)=O Amb25683449 [0,0,0,1,0,0|3,0,0]=4 482 B10R1.194 NC1C(COC1=O)C(O)=O Amb25147505 [0,0,0,1,0,0|2,0,0]=3 483 B10R1.194 NC1C(ONC1=O)C(O)=O Amb25857733 [0,0,0,1,0,0|2,1,0]=4 484 B10R1.194 N[C@@H]1[C@H](CNC1=O)C(O)=O Amb25230623 [0,0,0,1,0,0|3,0,0]=4 485 B10R1.360 CC(=O)C1(C)CC1C(O)=O Amb25771095 [0,0,0,1,0,0|3,0,0]=4 486 B10R1.360 CC(=O)[C@]1(Br)C[C@@H]1C(O)=O Amb24648199 [0,0,0,1,0,0|3,0,0]=4 487 B10R1.360 C[C@]1(C[C@@H]1C(O)=O)C(O)=O Amb24598825 [0,0,0,1,0,0|2,0,0]=3 488 B10R1.360 C[C@]1(C[C@H]1C(O)=O)C(O)=O Amb25231202 [0,0,0,1,0,0|2,0,0]=3 489 B10R1.360 C[C@]1(O[C@@H]1C(O)=O)C(O)=O Amb25340526 [0,0,0,1,0,0|1,1,0]=3 490 B10R1.360 NC1(CC1C(O)=O)C(O)=O Amb25124900 [0,0,0,1,0,0|2,0,0]=3 491 B10R1.360 N[C@@]1(C[C@@H]1C(O)=O)C(O)=O Amb23452842 [0,0,0,1,0,0|2,0,0]=3 492 B10R1.360 N[C@@]1(C[C@H]1C(O)=O)C(O)=O Amb23452828 [0,0,0,1,0,0|2,0,0]=3 493 B10R1.360 N[C@]1(C[C@H]1C(O)=O)C(O)=O Amb24515142 [0,0,0,1,0,0|2,0,0]=3 494 B10R1.360 OC(=O)[C@@]1(Br)C[C@@H]1C(O)=O Amb24748251 [0,0,0,1,0,0|2,0,0]=3 495 B10R1.360 OC(=O)[C@@]1(Cl)C[C@H]1C(O)=O Amb25258365 [0,0,0,1,0,0|2,0,0]=3 496 B10R1.360 OC(=O)[C@]1(Cl)C[C@H]1C(O)=O Amb25179268 [0,0,0,1,0,0|2,0,0]=3 497 B10R1.361 CC(=O)C1CCC1C(O)=O Amb25054556 [0,0,0,1,0,0|3,0,0]=4 498 B10R1.361 CC(=O)[C@@H]1CC[C@@H]1C(O)=O Amb24514837 [0,0,0,1,0,0|3,0,0]=4 499 B10R1.361 CC(=O)[C@@H]1CC[C@H]1C(O)=O Amb24671300 [0,0,0,1,0,0|3,0,0]=4 500 B10R1.361 NC(=O)[C@@H]1CC[C@H]1C(O)=O Amb24366239 [0,0,0,1,0,0|3,0,0]=4 501 B10R1.361 NC(=O)[C@H]1CC[C@@H]1C(O)=O Amb24548230 [0,0,0,1,0,0|3,0,0]=4 502 B10R1.361 OC(=O)C1CCC1C(=O)Cl Amb24753887 [0,0,0,1,0,0|3,0,0]=4 503 B10R1.361 OC(=O)C1CCC1C(O)=O Amb19373431 [0,0,0,1,0,0|2,0,0]=3 504 B10R1.361 OC(=O)C1CNC1C(O)=O Amb24088246 [0,0,0,1,0,0|2,0,0]=3 505 B10R1.361 OC(=O)[C@@H]1CC[C@@H]1C(=O)Cl Amb25726019 [0,0,0,1,0,0|3,0,0]=4 506 B10R1.361 OC(=O)[C@@H]1CC[C@@H]1C(=O)O Amb16230761 [0,0,0,1,0,0|2,0,0]=3 507 B10R1.361 OC(=O)[C@@H]1CC[C@H]1C(O)=O Amb24182065 [0,0,0,1,0,0|2,0,0]=3 508 B10R1.361 OC(=O)[C@H]1CC[C@@H]1C(O)=O Amb25267014 [0,0,0,1,0,0|2,0,0]=3 509 B10R1.361 OC(=O)[C@H]1CN[C@@H]1C(O)=O Amb25225066 [0,0,0,1,0,0|2,0,0]=3 510 B10R1.361 OC(=O)[C@H]1CN[C@H]1C(O)=O Amb24657216 [0,0,0,1,0,0|2,0,0]=3 511 B10R0.13 CC(=O)C(C)C(C)CC(O)=O Amb18645031 [0,0,0,0,0,1|3,0,0]=4 512 B10R0.13 CC(=O)CC(C)C(C)C(O)=O Amb18126130 [0,0,0,0,0,1|3,0,0]=4 513 B10R0.13 CC(=O)NC(C)C(O)C(O)=O Amb25689384 [0,0,0,0,0,1|2,1,0]=4 514 B10R0.13 CC(=O)OC(C)C(N)C(O)=O Amb25385009 [0,0,0,0,0,1|3,0,0]=4 515 B10R0.13 CC(=O)O[C@@H](C)[C@@H](N)C(O)=O Amb22747815 [0,0,0,0,0,1|3,0,0]=4 516 B10R0.13 CC(=O)O[C@H](C)[C@H](C)C(O)=O Amb25384861 [0,0,0,0,0,1|3,0,0]=4 517 B10R0.13 CC(C(O)=O)N(C)CC(O)=O Amb24751154 [0,0,0,0,0,1|3,0,0]=4 518 B10R0.13 CC(CC(O)=O)C(=O)C(O)=O Amb25386314 [0,0,0,0,0,1|1,1,1]=4 519 B10R0.13 CC(CC(O)=O)C(N)C(O)=O Amb23440872 [0,0,0,0,0,1|2,0,0]=3 520 B10R0.13 CC(NC(N)=O)C(C)C(O)=O Amb24692783 [0,0,0,0,0,1|3,0,0]=4 521 B10R0.13 C[C@@H](CC(O)=O)[C@@H](N)C(O)=O Amb19133152 [0,0,0,0,0,1|2,0,0]=3 522 B10R0.13 C[C@@H](CC(O)=O)[C@H](N)C(O)=O Amb19133150 [0,0,0,0,0,1|2,0,0]=3 523 B10R0.13 C[C@H](CC(O)=O)C(=O)C(O)=O Amb25385022 [0,0,0,0,0,1|1,1,1]=4 524 B10R0.13 C[C@H](NC(N)=O)[C@@H](C)C(O)=O Amb25363206 [0,0,0,0,0,1|3,0,0]=4 525 B10R0.13 C[C@H](NC(N)=O)[C@H](C)C(O)=O Amb25138793 [0,0,0,0,0,1|3,0,0]=4 526 B10R0.13 NC(=O)C(N)C(O)CC(O)=O Amb25384597 [0,0,0,0,0,1|2,1,0]=4 527 B10R0.13 NC(C(Cl)=CC(O)=O)C(O)=O Amb24374819 [0,0,0,0,0,1|2,0,1]=4 528 B10R0.13 NC(C(O)CC(O)=O)C(O)=O Amb25383245 [0,0,0,0,0,1|1,1,0]=3 529 B10R0.13 NC(CC(O)=O)C(N)C(O)=O Amb25386391 [0,0,0,0,0,1|2,0,0]=3 530 B10R0.13 NC(CC(O)=O)[C@H](N)C(O)=O Amb24764806 [0,0,0,0,0,1|2,0,0]=3 531 B10R0.13 N[C@@H](C(Cl)=CC(O)=O)C(O)=O Amb24758200 [0,0,0,0,0,1|2,0,1]=4 532 B10R0.13 N[C@@H](C(Cl)CC(O)=O)C(O)=O Amb24764556 [0,0,0,0,0,1|2,0,0]=3 533 B10R0.13 N[C@@H](C(O)CC(O)=O)C(O)=O Amb22746926 [0,0,0,0,0,1|1,1,0]=3 534 B10R0.13 N[C@@H]([C@@H](Cl)CC(O)=O)C(O)=O Amb25386256 [0,0,0,0,0,1|2,0,0]=3 535 B10R0.13 N[C@@H]([C@@H](F)CC(O)=O)C(O)=O Amb25386225 [0,0,0,0,0,1|2,0,0]=3 536 B10R0.13 N[C@@H]([C@H](F)CC(O)=O)C(O)=O Amb25386224 [0,0,0,0,0,1|2,0,0]=3 537 B10R0.13 N[C@H](C(F)CC(O)=O)C(O)=O Amb25383802 [0,0,0,0,0,1|2,0,0]=3 538 B10R0.13 N[C@H](\C(\Cl)=C\C(O)=O)C(O)=O Amb24688393 [0,0,0,0,0,1|2,0,1]=4 539 B10R0.13 OC(=O)C[C@@H]([C@H](C(=O)O)N)C Amb17617452 [0,0,0,0,0,1|2,0,0]=3 540 B10R0.13 OC(=O)C[C@H]([C@@H](C(=O)O)N)C Amb17617455 [0,0,0,0,0,1|2,0,0]=3 541 B10R0.13 OC(=O)[C@@H](O)[C@@H](O)CC(O)=O Amb25386187 [0,0,0,0,0,1|0,2,0]=3 542 B10R0.13 OC(=O)[C@@H](O)[C@H](O)CC(O)=O Amb25386186 [0,0,0,0,0,1|0,2,0]=3 543 B10R0.13 OC(CC(O)=O)C(Cl)C(O)=O Amb25386324 [0,0,0,0,0,1|1,1,0]=3 544 B10R0.93 BrC(C(=O)O)CC(C(=O)O)Br Amb17621581 [0,0,0,0,0,1|2,0,0]=3 545 B10R0.93 C=C(CC(N)C(O)=O)C(O)=O Amb18126175 [0,0,0,0,0,1|2,0,1]=4 546 B10R0.93 CC(=O)C(N)CC(C)C(O)=O Amb24765255 [0,0,0,0,0,1|3,0,0]=4 547 B10R0.93 CC(=O)[C@@H](N)C[C@@H](C)C(O)=O Amb25384326 [0,0,0,0,0,1|3,0,0]=4 548 B10R0.93 CC(C(=O)O)CC(=C)C(=O)O Amb10844068 [0,0,0,0,0,1|2,0,1]=4 549 B10R0.93 CC(C(=O)O)SC(C(=O)O)C Amb17501619 [0,0,0,0,0,1|2,0,0]=3 550 B10R0.93 CC(CC(C)C(O)=O)C(N)=O Amb25383441 [0,0,0,0,0,1|3,0,0]=4 551 B10R0.93 CC(CC(Cl)C(O)=O)C(O)=O Amb25386325 [0,0,0,0,0,1|2,0,0]=3 552 B10R0.93 CC(CC(N)C(O)=O)C(O)=O Amb23440871 [0,0,0,0,0,1|2,0,0]=3 553 B10R0.93 CC(C[C@H](N)C(O)=O)C(N)=O Amb25386389 [0,0,0,0,0,1|3,0,0]=4 554 B10R0.93 CC(NC(=O)C(O)=O)C(O)=O Amb25108452 [0,0,0,0,0,1|1,1,1]=4 555 B10R0.93 CC(NC(C)C(O)=O)C(O)=O Amb18126275 [0,0,0,0,0,1|2,0,0]=3 556 B10R0.93 C[C@@H](C[C@@H](N)C(O)=O)C(O)=O Amb19133151 [0,0,0,0,0,1|2,0,0]=3 557 B10R0.93 C[C@@H](NC(=O)C(O)=O)C(O)=O Amb19893389 [0,0,0,0,0,1|1,1,1]=4 558 B10R0.93 C[C@@H](N[C@H](C)C(O)=O)C(O)=O Amb25384906 [0,0,0,0,0,1|2,0,0]=3 559 B10R0.93 C[C@@H](O[C@H](C)C(O)=O)C(O)=O Amb25386293 [0,0,0,0,0,1|2,0,0]=3 560 B10R0.93 C[C@H](NC(=O)C(O)=O)C(O)=O Amb19893397 [0,0,0,0,0,1|1,1,1]=4 561 B10R0.93 C[C@H](N[C@H](C)C(O)=O)C(N)=O Amb25384905 [0,0,0,0,0,1|3,0,0]=4 562 B10R0.93 C[C@H](N[C@H](C)C(O)=O)C(O)=O Amb25382979 [0,0,0,0,0,1|2,0,0]=3 563 B10R0.93 C[C@H](O[C@@H](C)C(O)=O)C(O)=O Amb25386287 [0,0,0,0,0,1|2,0,0]=3 564 B10R0.93 C[C@H](O[C@H](C)C(O)=O)C(O)=O Amb25386292 [0,0,0,0,0,1|2,0,0]=3 565 B10R0.93 C\C(=C/C(C)C(O)=O)\C(O)=O Amb25138641 [0,0,0,0,0,1|2,0,1]=4 566 B10R0.93 C\C(=C\C(C)C(O)=O)\C(O)=O Amb23591115 [0,0,0,0,0,1|2,0,1]=4 567 B10R0.93 F[C@H](C(=O)N)C[C@@H](C(=O)O)N Amb10839753 [0,0,0,0,0,1|3,0,0]=4 568 B10R0.93 F[C@H](C(=O)N)C[C@H](C(=O)O)N Amb10839752 [0,0,0,0,0,1|3,0,0]=4 569 B10R0.93 NC(=O)C(F)CC(N)C(O)=O Amb25386442 [0,0,0,0,0,1|3,0,0]=4 570 B10R0.93 NC(=O)C(F)C[C@H](N)C(O)=O Amb25383170 [0,0,0,0,0,1|3,0,0]=4 571 B10R0.93 NC(=O)C(N)CC(F)C(O)=O Amb25385219 [0,0,0,0,0,1|3,0,0]=4 572 B10R0.93 NC(=O)C(O)CC(O)C(O)=O Amb25385182 [0,0,0,0,0,1|1,2,0]=4 573 B10R0.93 NC(=O)[C@H](F)C[C@@H](N)C(O)=O Amb25384972 [0,0,0,0,0,1|3,0,0]=4 574 B10R0.93 NC(=O)[C@H](N)C[C@@H](F)C(O)=O Amb25384973 [0,0,0,0,0,1|3,0,0]=4 575 B10R0.93 NC(CC(N)C(O)=O)C(O)=O Amb24117887 [0,0,0,0,0,1|2,0,0]=3 576 B10R0.93 N[C@@H](CC(F)C(O)=O)C(O)=O Amb22800491 [0,0,0,0,0,1|2,0,0]=3 577 B10R0.93 N[C@@H](C[C@@H](F)C(O)=O)C(O)=O Amb24055860 [0,0,0,0,0,1|2,0,0]=3 578 B10R0.93 N[C@@H](C[C@@H](N)C(O)=O)C(O)=O Amb22746048 [0,0,0,0,0,1|2,0,0]=3 579 B10R0.93 N[C@@H](C[C@H](N)C(O)=O)C(O)=O Amb22388564 [0,0,0,0,0,1|2,0,0]=3 580 B10R0.93 N[C@@H](C[C@H](N)C(O)=O)C(O)=O Amb22745417 [0,0,0,0,0,1|2,0,0]=3 581 B10R0.93 N[C@@H](C[C@H](O)C(O)=O)C(O)=O Amb22800665 [0,0,0,0,0,1|1,1,0]=3 582 B10R0.93 N[C@@H](C[C@H](O)C(O)=O)C(O)=O Amb24117514 [0,0,0,0,0,1|1,1,0]=3 583 B10R0.93 N[C@H](C(=O)N)C[C@@H](C(=O)O)F Amb10838207 [0,0,0,0,0,1|3,0,0]=4 584 B10R0.93 N[C@H](C(=O)N)C[C@H](C(=O)O)F Amb10841109 [0,0,0,0,0,1|3,0,0]=4 585 B10R0.93 N[C@H](C[C@@H](N)C(O)=O)C(O)=O Amb22388558 [0,0,0,0,0,1|2,0,0]=3 586 B10R0.93 N[C@H](C[C@@H](O)C(O)=O)C(O)=O Amb25386295 [0,0,0,0,0,1|1,1,0]=3 587 B10R0.93 OC(=O)C(Cl)CC(Cl)C(O)=O Amb25385940 [0,0,0,0,0,1|2,0,0]=3 588 B10R0.93 OC(=O)C(O)CC(O)C(O)=O Amb18645944 [0,0,0,0,0,1|0,2,0]=3 589 B10R0.93 OC(=O)C(S)CC(S)C(O)=O Amb25384913 [0,0,0,0,0,1|0,0,0]=1 590 B10R0.93 OC(=O)[C@@H](C[C@@H](C(=O)O)F)N Amb10839750 [0,0,0,0,0,1|2,0,0]=3 591 B10R0.93 OC(=O)[C@@H](C[C@@H](C(=O)O)N)C Amb10807462 [0,0,0,0,0,1|2,0,0]=3 592 B10R0.93 OC(=O)[C@H](C[C@@H](C(=O)O)F)N Amb10839751 [0,0,0,0,0,1|2,0,0]=3 593 B10R0.93 OC(=O)[C@H](C[C@@H](C(=O)O)N)C Amb17617454 [0,0,0,0,0,1|2,0,0]=3 594 B10R0.93 OC(=O)[C@H](O)C[C@@H](O)C(O)=O Amb25386296 [0,0,0,0,0,1|0,2,0]=3 595 B10R0.93 OC(=O)[C@H](S)C[C@@H](S)C(O)=O Amb25386192 [0,0,0,0,0,1|0,0,0]=1 596 B10R0.93 OC(C(=O)O)CC(=O)C(=O)O Amb17615458 [0,0,0,0,0,1|0,2,1]=4 597 B10R0.93 OC(SC(O)C(O)=O)C(O)=O Amb17772308 [0,0,0,0,0,1|0,2,0]=3 598 B10R0.93 O[C@H](CC(=O)C(O)=O)C(O)=O Amb25383809 [0,0,0,0,0,1|0,2,1]=4 599 B10R0.93 [NH3+]C(CC(O)C(O)=O)C([O-])=O Amb25385683 [0,0,0,0,0,1|1,1,1]=4 600 B7R0.2 C=CC(Br)CC(O)=O Amb18125534 [2,0,0,0,0,0|2,0,0]=4 601 B7R0.2 C=CC(Cl)CC(O)=O Amb18124408 [2,0,0,0,0,0|2,0,0]=4 602 B7R0.2 C=CC(F)CC(O)=O Amb25359137 [2,0,0,0,0,0|2,0,0]=4 603 B7R0.2 C=CC(N)CC(O)=O Amb22641963 [2,0,0,0,0,0|2,0,0]=4 604 B7R0.2 C=CC(O)CC(O)=O Amb18641866 [2,0,0,0,0,0|1,1,0]=4 605 B7R0.2 C=C[C@@H](O)CC(O)=O Amb25314661 [2,0,0,0,0,0|1,1,0]=4 606 B7R0.2 C=C[C@H](O)CC(O)=O Amb25844309 [2,0,0,0,0,0|1,1,0]=4 607 B7R0.2 CC(=O)CC(O)C=O Amb24481554 [2,0,0,0,0,0|1,1,0]=4 608 B7R0.2 CC(=O)CC(S)C=O Amb25838806 [2,0,0,0,0,0|1,0,0]=3 609 B7R0.2 CC(CC(C)=O)C=O Amb18641789 [2,0,0,0,0,0|2,0,0]=4 610 B7R0.2 CC(CC(O)=O)C=C Amb18641774 [2,0,0,0,0,0|2,0,0]=4 611 B7R0.2 CC(CC(O)=O)C=O Amb25836603 [2,0,0,0,0,0|1,0,0]=3 612 B7R0.2 CC(CC(O)=O)CO Amb18198168 [2,0,0,0,0,0|1,0,1]=4 613 B7R0.2 CCC(S)CC(O)=O Amb18303084 [2,0,0,0,0,0|1,0,1]=4 614 B7R0.2 CC[C@@H](S)CC(O)=O Amb24481337 [2,0,0,0,0,0|1,0,1]=4 615 B7R0.2 CN(CC(O)=O)C=O Amb18951578 [2,0,0,0,0,0|2,0,0]=4 616 B7R0.2 C[C@@H](CC(C)=O)C=O Amb24379584 [2,0,0,0,0,0|2,0,0]=4 617 B7R0.2 C[C@H](CC(O)=O)C=C Amb25791667 [2,0,0,0,0,0|2,0,0]=4 618 B7R0.2 NC(CC(N)=O)C=O Amb24482471 [2,0,0,0,0,0|2,0,0]=4 619 B7R0.2 N[C@@H](CC(N)=O)C=O Amb24446454 [2,0,0,0,0,0|2,0,0]=4 620 B7R0.2 N[C@@H](CC([O-])=O)C=O Amb22800169 [2,0,0,0,0,0|1,0,1]=4 621 B7R0.2 N[C@H](CC(O)=O)C=O Amb24643781 [2,0,0,0,0,0|1,0,0]=3 622 B7R0.2 N[C@H](CC(O)=O)CO Amb22388520 [2,0,0,0,0,0|1,0,1]=4 623 B7R0.2 OC(=O)CC(F)C=O Amb25114270 [2,0,0,0,0,0|1,0,0]=3 624 B7R0.2 OC(=O)CN(O)C=O Amb25367291 [2,0,0,0,0,0|1,1,0]=4 625 B7R0.2 OC[C@@H](CC(=O)O)N Amb16184020 [2,0,0,0,0,0|1,0,1]=4 626 B7R0.2 OC[C@H](O)CC(O)=O Amb25326979 [2,0,0,0,0,0|0,1,1]=4 627 B7R0.2 [O-]C(=O)CC(O)C=O Amb22733997 [2,0,0,0,0,0|0,1,1]=4 628 B7R0.5 C=CCC(Br)C(O)=O Amb18648213 [2,0,0,0,0,0|2,0,0]=4 629 B7R0.5 C=CCC(Cl)C(O)=O Amb25056173 [2,0,0,0,0,0|2,0,0]=4 630 B7R0.5 C=CCC(N)C(O)=O Amb21856826 [2,0,0,0,0,0|2,0,0]=4 631 B7R0.5 C=CC[C@@H](F)C(O)=O Amb24481338 [2,0,0,0,0,0|2,0,0]=4 632 B7R0.5 C=CC[C@@H](N)C(O)=O Amb22745310 [2,0,0,0,0,0|2,0,0]=4 633 B7R0.5 C=CC[C@@H](O)C(O)=O Amb24548731 [2,0,0,0,0,0|1,1,0]=4 634 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [2,0,0,0,0,0|2,0,0]=4 635 B7R0.5 CC(=O)C(S)CCO Amb25831127 [2,0,0,0,0,0|1,0,1]=4 636 B7R0.5 CC(=O)[C@@H](O)CC=O Amb25839860 [2,0,0,0,0,0|1,1,0]=4 637 B7R0.5 CC(CC=O)C(C)=O Amb18641772 [2,0,0,0,0,0|2,0,0]=4 638 B7R0.5 CC(CCO)C(O)=O Amb18641949 [2,0,0,0,0,0|1,0,1]=4 639 B7R0.5 CCCC(S)C(O)=O Amb18124440 [2,0,0,0,0,0|1,0,1]=4 640 B7R0.5 C[C@@H](C(=O)O)CC=C Amb10844040 [2,0,0,0,0,0|2,0,0]=4 641 B7R0.5 C[C@@H](NC=O)C(O)=O Amb22746684 [2,0,0,0,0,0|2,0,0]=4 642 B7R0.5 C[C@H](C(=O)O)CC=C Amb10844033 [2,0,0,0,0,0|2,0,0]=4 643 B7R0.5 C[C@H](CCO)C(O)=O Amb24483065 [2,0,0,0,0,0|1,0,1]=4 644 B7R0.5 NC(=O)C(S)CCO Amb24525295 [2,0,0,0,0,0|1,0,1]=4 645 B7R0.5 NC(CS=O)C(O)=O Amb24557184 [2,0,0,0,0,0|2,0,0]=4 646 B7R0.5 NC(CSO)C(O)=O Amb24746797 [2,0,0,0,0,0|2,0,0]=4 647 B7R0.5 NCCC(S)C(O)=O Amb25083375 [2,0,0,0,0,0|1,0,1]=4 648 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22746780 [2,0,0,0,0,0|1,0,0]=3 649 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22748768 [2,0,0,0,0,0|1,0,0]=3 650 B7R0.5 N[C@@H](CCO)C(O)=O Amb20242705 [2,0,0,0,0,0|1,0,1]=4 651 B7R0.5 N[C@@H](CNO)C(O)=O Amb24481412 [2,0,0,0,0,0|2,0,0]=4 652 B7R0.5 N[C@@H](CSO)C(O)=O Amb24481432 [2,0,0,0,0,0|2,0,0]=4 653 B7R0.5 N[C@H](C(=O)O)CC=C Amb10982568 [2,0,0,0,0,0|2,0,0]=4 654 B7R0.5 N[C@H](CNO)C(O)=O Amb24745929 [2,0,0,0,0,0|2,0,0]=4 655 B7R0.5 O=CCC(C(=O)O)N Amb16232081 [2,0,0,0,0,0|1,0,0]=3 656 B7R0.5 O=CNC(C(=O)O)C Amb1144629 [2,0,0,0,0,0|2,0,0]=4 657 B7R0.5 OC(=O)[C@H](S)CCS Amb24483251 [2,0,0,0,0,0|0,1,1]=4 658 B7R0.5 OC(CC=O)C(O)=O Amb25225249 [2,0,0,0,0,0|0,1,0]=3 659 B7R0.5 OCCC(O)C(O)=O Amb24689942 [2,0,0,0,0,0|0,1,1]=4 660 B7R0.5 O[15NH]CC(C(=O)O)N Amb17608097 [2,0,0,0,0,0|2,0,0]=4 661 B7R0.10 CC(C=O)C(C)C=O Amb18641795 [2,0,0,0,0,0|2,0,0]=4 662 B7R0.10 C[C@@H](C=O)[C@@H](C)C=O Amb25827162 [2,0,0,0,0,0|2,0,0]=4 663 B7R0.10 C[C@H](C=O)[C@@H](C)C=O Amb25827161 [2,0,0,0,0,0|2,0,0]=4 664 B7R0.10 C[C@H](C=O)[C@@H](O)C=O Amb24502787 [2,0,0,0,0,0|1,1,0]=4 665 B7R0.10 C[C@H](C=O)[C@H](C)C=O Amb24482506 [2,0,0,0,0,0|2,0,0]=4 666 B7R0.10 OC[C@@H](S)[C@H](S)CO Amb25810678 [2,0,0,0,0,0|0,0,2]=4 667 B7R0.10 O[C@@H](C=O)[C@@H](O)C=O Amb25309636 [2,0,0,0,0,0|0,2,0]=4 668 B7R0.10 O[C@H](C=O)[C@@H](O)C=O Amb25046496 [2,0,0,0,0,0|0,2,0]=4 669 B7R0.10 O[C@H](C=O)[C@H](O)C=O Amb24482037 [2,0,0,0,0,0|0,2,0]=4 670 B7R0.16 CC(C(C(=O)O)Br)O Amb17594710 [2,0,0,0,0,0|2,0,0]=4 671 B7R0.16 CC(C(C(=O)O)C)O Amb17615515 [2,0,0,0,0,0|2,0,0]=4 672 B7R0.16 CC(C(C(=O)O)Cl)O Amb17593522 [2,0,0,0,0,0|2,0,0]=4 673 B7R0.16 CC(C(C(=O)O)N)S Amb17593434 [2,0,0,0,0,0|1,0,1]=4 674 B7R0.16 CC(C(C)S)C(O)=O Amb25842057 [2,0,0,0,0,0|1,0,1]=4 675 B7R0.16 CC(C)C(S)C(O)=O Amb18282761 [2,0,0,0,0,0|1,0,1]=4 676 B7R0.16 CC(C)[C@@H](S)C(O)=O Amb25320674 [2,0,0,0,0,0|1,0,1]=4 677 B7R0.16 CC(C)[C@H](S)C(O)=O Amb25662094 [2,0,0,0,0,0|1,0,1]=4 678 B7R0.16 CC(O)C(O)C(O)=O Amb18124272 [2,0,0,0,0,0|1,1,0]=4 679 B7R0.16 CC(O)[C@@H](C)C(O)=O Amb25857406 [2,0,0,0,0,0|2,0,0]=4 680 B7R0.16 CC(S)[C@@H](N)C(O)=O Amb24606864 [2,0,0,0,0,0|1,0,1]=4 681 B7R0.16 CC(S)[C@H](N)C(O)=O Amb25684204 [2,0,0,0,0,0|1,0,1]=4 682 B7R0.16 C[C@@H](O)C(C)C(O)=O Amb24469914 [2,0,0,0,0,0|2,0,0]=4 683 B7R0.16 C[C@@H](O)[13C@H](N)[13C](O)=O Amb22336905 [2,0,0,0,0,0|2,0,0]=4 684 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O Amb24481394 [2,0,0,0,0,0|2,0,0]=4 685 B7R0.16 C[C@@H](O)[C@H](F)C(O)=O Amb24470562 [2,0,0,0,0,0|2,0,0]=4 686 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O Amb22351168 [2,0,0,0,0,0|2,0,0]=4 687 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(O)=O Amb22353591 [2,0,0,0,0,0|2,0,0]=4 688 B7R0.16 C[C@@H](S)[C@@H](N)C(O)=O Amb24333717 [2,0,0,0,0,0|1,0,1]=4 689 B7R0.16 C[C@@H](S)[C@H](N)C(O)=O Amb24117242 [2,0,0,0,0,0|1,0,1]=4 690 B7R0.16 C[C@@H](S)[C@H](N)C(O)=O Amb24726915 [2,0,0,0,0,0|1,0,1]=4 691 B7R0.16 C[C@@H]([C@H](C(=O)O)C)O Amb10844569 [2,0,0,0,0,0|2,0,0]=4 692 B7R0.16 C[C@H](O)C(N)C(O)=O Amb24377632 [2,0,0,0,0,0|2,0,0]=4 693 B7R0.16 C[C@H](O)[C@@H](O)C(O)=O Amb25844932 [2,0,0,0,0,0|1,1,0]=4 694 B7R0.16 C[C@H](S)[C@H](N)C(O)=O Amb25131648 [2,0,0,0,0,0|1,0,1]=4 695 B7R0.16 C[C@H]([C@@H](C(=O)O)C)O Amb10844572 [2,0,0,0,0,0|2,0,0]=4 696 B7R0.16 C[C@H]([C@@H]([13C](=O)O)N)O Amb17620634 [2,0,0,0,0,0|2,0,0]=4 697 B7R0.16 C[C@H]([C@H](C)S)C(O)=O Amb24481380 [2,0,0,0,0,0|1,0,1]=4 698 B7R0.16 NC(C(O)O)C(O)=O Amb25682498 [2,0,0,0,0,0|1,1,0]=4 699 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](O)=O Amb22353590 [2,0,0,0,0,0|2,0,0]=4 700 B7R0.16 [14CH3][14CH](O)[14CH](N)[14C](O)=O Amb22352529 [2,0,0,0,0,0|2,0,0]=4 701 B7R0.6 C=C(Br)CCC(O)=O Amb18648212 [2,0,0,0,0,0|2,0,0]=4 702 B7R0.6 C=C(Cl)CCC(O)=O Amb18642971 [2,0,0,0,0,0|2,0,0]=4 703 B7R0.6 C=C(F)CCC(O)=O Amb25141041 [2,0,0,0,0,0|2,0,0]=4 704 B7R0.6 CC(=C)CCC(O)=O Amb18641793 [2,0,0,0,0,0|2,0,0]=4 705 B7R0.6 CC(=O)CCC(=O)Cl Amb17142859 [2,0,0,0,0,0|2,0,0]=4 706 B7R0.6 CC(=O)CCC(=O)N Amb17142854 [2,0,0,0,0,0|2,0,0]=4 707 B7R0.6 CC(=O)CCC([O-])=O Amb22350071 [2,0,0,0,0,0|1,0,1]=4 708 B7R0.6 CC(=O)CCP(O)=O Amb24647699 [2,0,0,0,0,0|2,0,0]=4 709 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [2,0,0,0,0,0|2,0,0]=4 710 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [2,0,0,0,0,0|2,0,0]=4 711 B7R0.6 CC(=O)SCC(=O)O Amb17607669 [2,0,0,0,0,0|2,0,0]=4 712 B7R0.6 CC(O)CCC(O)=O Amb18294804 [2,0,0,0,0,0|1,0,1]=4 713 B7R0.6 CS(=O)CCC(O)=O Amb18523762 [2,0,0,0,0,0|2,0,0]=4 714 B7R0.6 NC(=N)CCC(O)=O Amb25736788 [2,0,0,0,0,0|2,0,0]=4 715 B7R0.6 NC(=O)CCC(=O)N Amb1353209 [2,0,0,0,0,0|2,0,0]=4 716 B7R0.6 NC(=O)CCP(O)=O Amb25840251 [2,0,0,0,0,0|2,0,0]=4 717 B7R0.6 NC(=O)CNC(O)=O Amb24705097 [2,0,0,0,0,0|2,0,0]=4 718 B7R0.6 NC(=O)NCC(=O)O Amb16205895 [2,0,0,0,0,0|2,0,0]=4 719 B7R0.6 NC(=O)OCC(O)=O Amb25777061 [2,0,0,0,0,0|2,0,0]=4 720 B7R0.6 NC(=O)SCC(O)=O Amb24640543 [2,0,0,0,0,0|2,0,0]=4 721 B7R0.6 NC(=S)CCC(O)=O Amb18102382 [2,0,0,0,0,0|1,1,0]=4 722 B7R0.6 O=C(F)CCC(=O)F Amb24483270 [2,0,0,0,0,0|2,0,0]=4 723 B7R0.6 OB(O)CCC(O)=O Amb24640288 [2,0,0,0,0,0|1,0,1]=4 724 B7R0.6 OC(=O)C=CC(O)=O Amb22487311 [2,0,0,0,0,0|0,0,2]=4 725 B7R0.6 OC(=O)C=CC(O)=O Amb22487315 [2,0,0,0,0,0|0,0,2]=4 726 B7R0.6 OC(=O)CCC(=O)Cl Amb17593468 [2,0,0,0,0,0|1,0,0]=3 727 B7R0.6 OC(=O)CCC(O)=O Amb22168124 [2,0,0,0,0,0|0,0,0]=2 728 B7R0.6 OC(=O)CCC(O)=O Amb22349196 [2,0,0,0,0,0|0,0,0]=2 729 B7R0.6 OC(=O)CCC(O)=O Amb22353352 [2,0,0,0,0,0|0,0,0]=2 730 B7R0.6 OC(=O)CCC(O)=O Amb22360649 [2,0,0,0,0,0|0,0,0]=2 731 B7R0.6 OC(=O)CNC(=O)Cl Amb25277149 [2,0,0,0,0,0|2,0,0]=4 732 B7R0.6 OC(=O)C[13CH2][13C](O)=O Amb22353421 [2,0,0,0,0,0|0,0,0]=2 733 B7R0.6 OC(=O)SCC(O)=O Amb24699018 [2,0,0,0,0,0|1,0,0]=3 734 B7R0.6 OC(=O)[13CH2][13CH2]C(O)=O Amb22338081 [2,0,0,0,0,0|0,0,0]=2 735 B7R0.6 OC(=O)[14CH2][14CH2]C(O)=O Amb22337597 [2,0,0,0,0,0|0,0,0]=2 736 B7R0.6 OC(=O)\C=C/C(O)=O Amb22274309 [2,0,0,0,0,0|0,0,2]=4 737 B7R0.6 OC(=O)\C=C/C(O)=O Amb22350132 [2,0,0,0,0,0|0,0,2]=4 738 B7R0.6 OC(=O)\C=C\C(=O)O Amb10072561 [2,0,0,0,0,0|0,0,2]=4 739 B7R0.6 OC(=O)\C=C\C(O)=O Amb22336584 [2,0,0,0,0,0|0,0,2]=4 740 B7R0.6 OC(=O)\C=C\C(O)=O Amb22352586 [2,0,0,0,0,0|0,0,2]=4 741 B7R0.6 OC(=O)\C=C\C(O)=O Amb22353441 [2,0,0,0,0,0|0,0,2]=4 742 B7R0.6 OC(=O)\C=C\C(O)=O Amb22353537 [2,0,0,0,0,0|0,0,2]=4 743 B7R0.6 OC(=O)\C=C\C(O)=O Amb22360655 [2,0,0,0,0,0|0,0,2]=4 744 B7R0.6 OC(=O)\[13CH]=[13CH]\C(O)=O Amb22363150 [2,0,0,0,0,0|0,0,2]=4 745 B7R0.6 OC(=O)\[14CH]=[14CH]/C(O)=O Amb22352435 [2,0,0,0,0,0|0,0,2]=4 746 B7R0.6 OC(=S)CCC(O)=O Amb24586272 [2,0,0,0,0,0|0,1,0]=3 747 B7R0.6 OC(O)CCC(O)=O Amb25762802 [2,0,0,0,0,0|0,0,2]=4 748 B7R0.6 O[13C](=O)CC[13C](O)=O Amb22056173 [2,0,0,0,0,0|0,0,0]=2 749 B7R0.6 O[13C](=O)[13CH2][13CH2][13C](O)=O Amb22056172 [2,0,0,0,0,0|0,0,0]=2 750 B7R0.6 O[13C](=O)\[13CH]=[13CH]\[13C](O)=O Amb22055283 [2,0,0,0,0,0|0,0,2]=4 751 B7R0.6 O[14C](=O)CC[14C](O)=O Amb22352661 [2,0,0,0,0,0|0,0,0]=2 752 B7R0.6 [13CH3][13C](=O)[13CH2]CC(O)=O Amb22056002 [2,0,0,0,0,0|1,0,0]=3 753 B7R0.6 [O-]C(=O)CCC(O)=O Amb22730137 [2,0,0,0,0,0|0,0,1]=3 754 B7R0.6 [O-]C(=O)CCC(O)=O Amb22733837 [2,0,0,0,0,0|0,0,1]=3 755 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22230230 [2,0,0,0,0,0|0,0,2]=4 756 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22330623 [2,0,0,0,0,0|0,0,2]=4 757 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22360668 [2,0,0,0,0,0|0,0,2]=4 758 B7R0.6 [O-]C(=O)CCC([O-])=O Amb22731284 [2,0,0,0,0,0|0,0,2]=4 759 B7R0.6 [O-][N+](=O)CCC(=O)O Amb10843224 [2,0,0,0,0,0|1,0,1]=4 760 B9R0.6 CC(C(C)CC=O)C(O)=O Amb18644133 [1,1,0,0,0,0|2,0,0]=4 761 B9R0.6 CC(C(C)NC=O)C(O)=O Amb24543868 [1,1,0,0,0,0|2,0,0]=4 762 B9R0.6 C[C@H]([C@H](C)OC=O)C(O)=O Amb24479221 [1,1,0,0,0,0|2,0,0]=4 763 B9R0.6 NC(C(S)CCO)C(O)=O Amb24724703 [1,1,0,0,0,0|1,0,1]=4 764 B9R0.6 N[C@@H](C(S)CCO)C(O)=O Amb25320812 [1,1,0,0,0,0|1,0,1]=4 765 B9R0.27 CC(C(C)C=O)C(=O)OC Amb25828591 [1,1,0,0,0,0|2,0,0]=4 766 B9R0.27 CC(C=O)C(Br)C(=O)OC Amb24640254 [1,1,0,0,0,0|2,0,0]=4 767 B9R0.27 COC(=O)C(O)C(F)C=O Amb25143460 [1,1,0,0,0,0|1,1,0]=4 768 B9R0.27 C[C@@H]([C@@H](C)C=O)C(=O)OC Amb25142663 [1,1,0,0,0,0|2,0,0]=4 769 B9R0.28 CC(C=O)C(C)(C)C(O)=O Amb25063874 [1,1,0,0,0,0|2,0,0]=4 770 B9R0.32 CC(C)(C=O)C(O)C(O)=O Amb25118019 [1,1,0,0,0,0|1,1,0]=4 771 B9R0.10 CC(CC(O)=O)P(C)(O)=O Amb25059136 [1,1,0,0,0,0|2,0,0]=4 772 B9R0.10 C[C@H](CC(O)=O)S(O)(=O)=O Amb25210783 [1,1,0,0,0,0|2,0,0]=4 773 B9R0.10 N[C@@H](CC(O)=O)P(O)(O)=O Amb25322981 [1,1,0,0,0,0|2,0,0]=4 774 B9R0.11 CC(=O)C(C)(Br)CC(O)=O Amb24682759 [1,1,0,0,0,0|2,0,0]=4 775 B9R0.11 CC(=O)C(C)(O)CC(O)=O Amb25733298 [1,1,0,0,0,0|1,1,0]=4 776 B9R0.11 CC(=O)CC(C)(C)C(O)=O Amb18644092 [1,1,0,0,0,0|2,0,0]=4 777 B9R0.11 CC(=O)N[C@](C)(S)C(O)=O Amb25793169 [1,1,0,0,0,0|2,0,0]=4 778 B9R0.11 CC(C)(CC(=O)Cl)C(O)=O Amb25211275 [1,1,0,0,0,0|2,0,0]=4 779 B9R0.11 CC(C)(CC(N)=O)C(O)=O Amb24721912 [1,1,0,0,0,0|2,0,0]=4 780 B9R0.11 CC(Cl)(CC(O)=O)C(O)=O Amb18126463 [1,1,0,0,0,0|1,0,0]=3 781 B9R0.11 CC(N)(CC(O)=O)C(O)=O Amb22800383 [1,1,0,0,0,0|1,0,0]=3 782 B9R0.11 CC(N)(CC(O)=O)P(O)=O Amb25701546 [1,1,0,0,0,0|2,0,0]=4 783 B9R0.11 CC(O)(CC(N)=O)C(O)=O Amb24744548 [1,1,0,0,0,0|1,1,0]=4 784 B9R0.11 CC(O)(CC(O)=O)C(N)=O Amb24669300 [1,1,0,0,0,0|1,1,0]=4 785 B9R0.11 CC(O)(CC(O)=O)C(O)=O Amb22352645 [1,1,0,0,0,0|0,1,0]=3 786 B9R0.11 CC(S)(CC(O)=O)C(O)=O Amb25053889 [1,1,0,0,0,0|0,0,0]=2 787 B9R0.11 C[C@@](N)(CC(N)=O)C(O)=O Amb22225025 [1,1,0,0,0,0|2,0,0]=4 788 B9R0.11 C[C@@](O)(CC(O)=O)C(O)=O Amb22336254 [1,1,0,0,0,0|0,1,0]=3 789 B9R0.11 NC(=O)C(F)(F)CC(O)=O Amb25109736 [1,1,0,0,0,0|2,0,0]=4 790 B9R0.11 NC(N)(CC(O)=O)C(O)=O Amb24460545 [1,1,0,0,0,0|1,0,0]=3 791 B9R0.11 OC(=O)C(O)(F)CC(O)=O Amb25798979 [1,1,0,0,0,0|0,1,0]=3 792 B9R0.11 OC(=O)C(S)(S)CC(O)=O Amb22230560 [1,1,0,0,0,0|0,0,0]=2 793 B9R0.11 OC(=O)CC(C(=O)O)(N)C Amb10807406 [1,1,0,0,0,0|1,0,0]=3 794 B9R0.11 OC(=O)CC(C(=O)O)(O)O Amb16232015 [1,1,0,0,0,0|0,1,0]=3 795 B9R0.11 OC(=O)C[C@@](C(=O)O)(N)C Amb10601663 [1,1,0,0,0,0|1,0,0]=3 796 B9R0.11 OC(=O)C[C@](C(=O)O)(N)C Amb10601664 [1,1,0,0,0,0|1,0,0]=3 797 B9R0.11 OC(=O)C[C@](C(=O)O)(N)C Amb17608152 [1,1,0,0,0,0|1,0,0]=3 798 B9R0.23 CC(=O)CC(N)C(=O)OC Amb25367296 [1,1,0,0,0,0|2,0,0]=4 799 B9R0.23 CC(=O)C[C@@H](O)C(=O)OC Amb24408458 [1,1,0,0,0,0|1,1,0]=4 800 B9R0.23 CC(=O)C[C@H](O)C(=O)OC Amb25146504 [1,1,0,0,0,0|1,1,0]=4 801 B9R0.23 CC(CC(O)=O)C(=O)CN Amb25072734 [1,1,0,0,0,0|2,0,0]=4 802 B9R0.23 CCC(=O)[C@@H](C)CC(O)=O Amb24504994 [1,1,0,0,0,0|2,0,0]=4 803 B9R0.23 CCC(=O)[C@H](C)CC(O)=O Amb24426900 [1,1,0,0,0,0|2,0,0]=4 804 B9R0.23 CN(CC(O)=O)C(=O)CO Amb25848387 [1,1,0,0,0,0|2,0,0]=4 805 B9R0.23 CNC(=O)C(N)CC(O)=O Amb18862479 [1,1,0,0,0,0|2,0,0]=4 806 B9R0.23 CNC(=O)[C@@H](N)CC(O)=O Amb25694374 [1,1,0,0,0,0|2,0,0]=4 807 B9R0.23 COC(=O)C(Br)CC(N)=O Amb24728398 [1,1,0,0,0,0|2,0,0]=4 808 B9R0.23 COC(=O)C(Br)CC(O)=O Amb18656999 [1,1,0,0,0,0|1,0,0]=3 809 B9R0.23 COC(=O)C(C)CC(=O)Cl Amb24648102 [1,1,0,0,0,0|2,0,0]=4 810 B9R0.23 COC(=O)C(C)CC(N)=O Amb25113876 [1,1,0,0,0,0|2,0,0]=4 811 B9R0.23 COC(=O)C(C)CC(O)=O Amb18644248 [1,1,0,0,0,0|1,0,0]=3 812 B9R0.23 COC(=O)C(CC(=O)N)N Amb16243083 [1,1,0,0,0,0|2,0,0]=4 813 B9R0.23 COC(=O)C(CC(=O)N)N Amb17601698 [1,1,0,0,0,0|2,0,0]=4 814 B9R0.23 COC(=O)C(CC(=O)O)O Amb17615865 [1,1,0,0,0,0|0,1,0]=3 815 B9R0.23 COC(=O)C(N)CC(O)=O Amb18644309 [1,1,0,0,0,0|1,0,0]=3 816 B9R0.23 COC(=O)[C@@H](C)CC(N)=O Amb24351411 [1,1,0,0,0,0|2,0,0]=4 817 B9R0.23 COC(=O)[C@@H](C)CC(O)=O Amb22226152 [1,1,0,0,0,0|1,0,0]=3 818 B9R0.23 COC(=O)[C@@H](CC(=O)O)O Amb17615866 [1,1,0,0,0,0|0,1,0]=3 819 B9R0.23 COC(=O)[C@@H](N)CC(O)=O Amb22746069 [1,1,0,0,0,0|1,0,0]=3 820 B9R0.23 COC(=O)[C@@H](N)CS(O)=O Amb24592787 [1,1,0,0,0,0|2,0,0]=4 821 B9R0.23 COC(=O)[C@@H](O)CC(N)=O Amb25147368 [1,1,0,0,0,0|1,1,0]=4 822 B9R0.23 COC(=O)[C@H](C)CC(N)=O Amb25824598 [1,1,0,0,0,0|2,0,0]=4 823 B9R0.23 COC(=O)[C@H](C)CC(O)=O Amb24561954 [1,1,0,0,0,0|1,0,0]=3 824 B9R0.23 COC(=O)[C@H](CC(=O)N)N Amb10844909 [1,1,0,0,0,0|2,0,0]=4 825 B9R0.23 COC(=O)[C@H](CC(=O)O)O Amb17615867 [1,1,0,0,0,0|0,1,0]=3 826 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb19883963 [1,1,0,0,0,0|2,0,0]=4 827 B9R0.23 COC(=O)[C@H](N)CC(O)=O Amb19944281 [1,1,0,0,0,0|1,0,0]=3 828 B9R0.23 NC(CC(O)=O)C(=O)O[Na] Amb22352689 [1,1,0,0,0,0|1,0,0]=3 829 B9R0.23 NC(CC([O-])=O)C(=O)O[Cu+] Amb22540451 [1,1,0,0,0,0|1,0,1]=4 830 B9R0.23 NCC(=O)C(N)CC(O)=O Amb24745663 [1,1,0,0,0,0|2,0,0]=4 831 B9R0.23 N[C@@H](CC(O)=O)C(=O)NO Amb25762946 [1,1,0,0,0,0|1,0,0]=3 832 B9R0.23 OC(=O)CC(C(=O)CBr)Br Amb15772353 [1,1,0,0,0,0|2,0,0]=4 833 B9R0.23 OC(=O)CC(Cl)C(=O)CCl Amb24426203 [1,1,0,0,0,0|2,0,0]=4 834 B9R0.23 OC(=O)CC(O)C(=O)CO Amb25124913 [1,1,0,0,0,0|0,1,0]=3 835 B9R0.23 OC(=O)C[C@H](O)C(=O)CO Amb25259211 [1,1,0,0,0,0|0,1,0]=3 836 B9R0.39 C=NC(CC(O)=O)C(O)=O Amb24350770 [1,1,0,0,0,0|1,0,0]=3 837 B9R0.39 CC(=O)C(CC(O)=O)CC Amb24410015 [1,1,0,0,0,0|2,0,0]=4 838 B9R0.39 CC(=O)C(CC(O)=O)NC Amb18611382 [1,1,0,0,0,0|2,0,0]=4 839 B9R0.39 CC(=O)CC(CC)C(O)=O Amb18644109 [1,1,0,0,0,0|2,0,0]=4 840 B9R0.39 CC(=O)CC(NC)C(O)=O Amb25690263 [1,1,0,0,0,0|2,0,0]=4 841 B9R0.39 CC(=O)NC(SC)C(O)=O Amb24482255 [1,1,0,0,0,0|2,0,0]=4 842 B9R0.39 CC(=O)OC(SC)C(O)=O Amb25061355 [1,1,0,0,0,0|2,0,0]=4 843 B9R0.39 CCC(C(=O)O)CC(=O)O Amb10071696 [1,1,0,0,0,0|1,0,0]=3 844 B9R0.39 CCC(CP(O)=O)C(O)=O Amb24482481 [1,1,0,0,0,0|2,0,0]=4 845 B9R0.39 CC[C@H](CC(O)=O)C(O)=O Amb24643194 [1,1,0,0,0,0|1,0,0]=3 846 B9R0.39 CNC(C(=O)O)CC(=O)O Amb1905634 [1,1,0,0,0,0|1,0,0]=3 847 B9R0.39 CNC(CC(N)=O)C(O)=O Amb18644255 [1,1,0,0,0,0|2,0,0]=4 848 B9R0.39 CNC(CS(O)=O)C(O)=O Amb25765774 [1,1,0,0,0,0|2,0,0]=4 849 B9R0.39 CN[C@@H](CC(O)=O)C(O)=O Amb22748003 [1,1,0,0,0,0|1,0,0]=3 850 B9R0.39 CN[C@@H](CS(O)=O)C(O)=O Amb24482415 [1,1,0,0,0,0|2,0,0]=4 851 B9R0.39 COC(CC(O)=O)C(N)=O Amb23536075 [1,1,0,0,0,0|1,1,0]=4 852 B9R0.39 COC(CC(O)=O)C(O)=O Amb18124863 [1,1,0,0,0,0|0,1,0]=3 853 B9R0.39 CO[C@@H](CC(O)=O)C(O)=O Amb25122107 [1,1,0,0,0,0|0,1,0]=3 854 B9R0.39 CSC(CC(N)=O)C(O)=O Amb25694730 [1,1,0,0,0,0|1,0,0]=3 855 B9R0.39 CSC(CC(O)=O)C(O)=O Amb18646024 [1,1,0,0,0,0|0,0,0]=2 856 B9R0.39 CSC(NC(N)=O)C(O)=O Amb18126402 [1,1,0,0,0,0|2,0,0]=4 857 B9R0.39 CS[C@@H](CC(O)=O)C(O)=O Amb25191487 [1,1,0,0,0,0|0,0,0]=2 858 B9R0.39 CS[C@H](CC(N)=O)C(O)=O Amb25101496 [1,1,0,0,0,0|1,0,0]=3 859 B9R0.39 CS[C@H](CC(O)=O)C(O)=O Amb24423669 [1,1,0,0,0,0|0,0,0]=2 860 B9R0.39 C\C=C(\CC(O)=O)/C(O)=O Amb25292254 [1,1,0,0,0,0|1,0,1]=4 861 B9R0.39 N#CC(CC(O)=O)C(O)=O Amb24434922 [1,1,0,0,0,0|1,0,0]=3 862 B9R0.39 NCC(CC(O)=O)C(O)=O Amb22546423 [1,1,0,0,0,0|1,0,0]=3 863 B9R0.39 NCC(CC(O)=O)C(O)=O Amb24538047 [1,1,0,0,0,0|1,0,0]=3 864 B9R0.39 NC[C@H](CC(O)=O)C(O)=O Amb25147272 [1,1,0,0,0,0|1,0,0]=3 865 B9R0.39 NN[C@@H](CC(O)=O)C(O)=O Amb24117193 [1,1,0,0,0,0|1,0,0]=3 866 B9R0.39 OC(=O)C(CBr)CC(O)=O Amb22752144 [1,1,0,0,0,0|1,0,0]=3 867 B9R0.39 OC(=O)C(CC(O)=O)=CBr Amb25225990 [1,1,0,0,0,0|1,0,1]=4 868 B9R0.39 OC(=O)C(CC(O)=O)=CCl Amb25321956 [1,1,0,0,0,0|1,0,1]=4 869 B9R0.39 OC(=O)C(CC(O)=O)C=O Amb24732382 [1,1,0,0,0,0|0,1,0]=3 870 B9R0.39 OC(=O)C(CC(O)=O)NO Amb24685872 [1,1,0,0,0,0|0,1,0]=3 871 B9R0.39 OC(=O)C(CC(O)=O)NS Amb25808901 [1,1,0,0,0,0|0,0,0]=2 872 B9R0.39 OC(=O)C(CCl)CC(O)=O Amb25840030 [1,1,0,0,0,0|1,0,0]=3 873 B9R0.39 OC(=O)C(CS)NS(O)=O Amb24482299 [1,1,0,0,0,0|2,0,0]=4 874 B9R0.39 OC(=O)[C@H](CC(O)=O)NO Amb24117497 [1,1,0,0,0,0|0,1,0]=3 875 B9R0.39 OC(=O)[C@H](CC(O)=O)NO Amb24630025 [1,1,0,0,0,0|0,1,0]=3 876 B9R0.39 OC(=O)\C(\CC(O)=O)=C\Br Amb25758898 [1,1,0,0,0,0|1,0,1]=4 877 B9R0.39 OC(=O)\C(\CC(O)=O)=N\O Amb24117074 [1,1,0,0,0,0|0,1,1]=4 878 B9R0.39 OCC(CC(O)=O)C(O)=O Amb24629722 [1,1,0,0,0,0|0,1,0]=3 879 B9R0.39 SCC(C(=O)O)NC(=O)C Amb1112748 [1,1,0,0,0,0|2,0,0]=4 880 B9R0.39 SCC(C(=O)O)NC(=O)N Amb1119403 [1,1,0,0,0,0|2,0,0]=4 881 B9R0.39 SC[C@@H](C(=O)O)NC(=O)N Amb17610484 [1,1,0,0,0,0|2,0,0]=4 882 B9R0.42 CC(=O)C(Cl)CC(=O)OC Amb25061154 [1,1,0,0,0,0|2,0,0]=4 883 B9R0.42 CC(=O)C(N)CC(=O)OC Amb24529258 [1,1,0,0,0,0|2,0,0]=4 884 B9R0.42 CC(=O)C(O)CC(=O)OC Amb25146688 [1,1,0,0,0,0|1,1,0]=4 885 B9R0.42 CC(CC(=O)CCl)C(O)=O Amb24585160 [1,1,0,0,0,0|2,0,0]=4 886 B9R0.42 CC(CC(=O)CN)C(O)=O Amb25758299 [1,1,0,0,0,0|2,0,0]=4 887 B9R0.42 CC(CC(O)C(O)=O)=NO Amb25291967 [1,1,0,0,0,0|1,1,0]=4 888 B9R0.42 CC(CC(S)C(O)=O)OC Amb24641528 [1,1,0,0,0,0|1,0,1]=4 889 B9R0.42 CC(OC(=O)CO)C(O)=O Amb24480687 [1,1,0,0,0,0|2,0,0]=4 890 B9R0.42 CCC(=O)CC(N)C(O)=O Amb22546324 [1,1,0,0,0,0|2,0,0]=4 891 B9R0.42 CCC(=O)CC(N)C(O)=O Amb24479073 [1,1,0,0,0,0|2,0,0]=4 892 B9R0.42 CCC(=O)C[C@@H](C)C(O)=O Amb24680887 [1,1,0,0,0,0|2,0,0]=4 893 B9R0.42 CCC(=O)C[C@H](N)C(O)=O Amb24479266 [1,1,0,0,0,0|2,0,0]=4 894 B9R0.42 CNC(=O)C[C@@H](N)C(O)=O Amb20240891 [1,1,0,0,0,0|2,0,0]=4 895 B9R0.42 CNC(=O)C[C@H](N)C(O)=O Amb20242140 [1,1,0,0,0,0|2,0,0]=4 896 B9R0.42 COC(=O)CC(=O)C(O)=O Amb22728219 [1,1,0,0,0,0|0,1,1]=4 897 B9R0.42 COC(=O)CC(Br)C(O)=O Amb18656998 [1,1,0,0,0,0|1,0,0]=3 898 B9R0.42 COC(=O)CC(C(=O)C)Br Amb17403794 [1,1,0,0,0,0|2,0,0]=4 899 B9R0.42 COC(=O)CC(C)C(N)=O Amb24604307 [1,1,0,0,0,0|2,0,0]=4 900 B9R0.42 COC(=O)CC(C)C(O)=O Amb18644239 [1,1,0,0,0,0|1,0,0]=3 901 B9R0.42 COC(=O)CC(N)C(O)=O Amb22489498 [1,1,0,0,0,0|1,0,0]=3 902 B9R0.42 COC(=O)CC(O)C(O)=O Amb25786182 [1,1,0,0,0,0|0,1,0]=3 903 B9R0.42 COC(=O)C[C@@H](C(=O)O)N Amb13884879 [1,1,0,0,0,0|1,0,0]=3 904 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl Amb24556752 [1,1,0,0,0,0|2,0,0]=4 905 B9R0.42 COC(=O)C[C@@H](N)C(O)=O Amb22745861 [1,1,0,0,0,0|1,0,0]=3 906 B9R0.42 COC(=O)C[C@@H](O)C(O)=O Amb23603858 [1,1,0,0,0,0|0,1,0]=3 907 B9R0.42 COC(=O)C[C@H](Br)C(N)=O Amb25326024 [1,1,0,0,0,0|2,0,0]=4 908 B9R0.42 COC(=O)C[C@H](O)C(O)=O Amb25367304 [1,1,0,0,0,0|0,1,0]=3 909 B9R0.42 COC(=O)C[C@H]([NH3+])C(=O)O Amb10574406 [1,1,0,0,0,0|1,0,0]=3 910 B9R0.42 COC(=O)N[C@@H](C)C(O)=O Amb24477985 [1,1,0,0,0,0|2,0,0]=4 911 B9R0.42 COC(=O)N[C@H](C)C(O)=O Amb24381066 [1,1,0,0,0,0|2,0,0]=4 912 B9R0.42 C[C@H](OC(=O)CO)C(O)=O Amb24469338 [1,1,0,0,0,0|2,0,0]=4 913 B9R0.42 NC(CC(=O)CBr)C(O)=O Amb24477386 [1,1,0,0,0,0|2,0,0]=4 914 B9R0.42 NC(CC(=O)CCl)C(O)=O Amb24061070 [1,1,0,0,0,0|2,0,0]=4 915 B9R0.42 NC(CC(=O)CO)C(O)=O Amb18644310 [1,1,0,0,0,0|1,0,0]=3 916 B9R0.42 NC(CC(=O)NCl)C(O)=O Amb24454054 [1,1,0,0,0,0|2,0,0]=4 917 B9R0.42 NC(CC(=O)NO)C(O)=O Amb22349932 [1,1,0,0,0,0|1,0,0]=3 918 B9R0.42 NCC(=O)CC(F)C(O)=O Amb25367166 [1,1,0,0,0,0|2,0,0]=4 919 B9R0.42 NCC(=O)CC(N)C(O)=O Amb24462002 [1,1,0,0,0,0|2,0,0]=4 920 B9R0.42 NCC(=O)C[C@H](N)C(O)=O Amb25757838 [1,1,0,0,0,0|2,0,0]=4 921 B9R0.42 NNC(=O)C[C@H](N)C(O)=O Amb24680907 [1,1,0,0,0,0|2,0,0]=4 922 B9R0.42 N[C@@H](CC(=O)CBr)C(O)=O Amb24477399 [1,1,0,0,0,0|2,0,0]=4 923 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(O)=O Amb25367252 [1,1,0,0,0,0|1,0,1]=4 924 B9R0.42 N[C@H](CC(=O)NO)C(O)=O Amb24451287 [1,1,0,0,0,0|1,0,0]=3 925 B9R0.42 O=NN(CC(C(=O)O)N)O Amb17607757 [1,1,0,0,0,0|2,0,0]=4 926 B9R0.42 O=NN(C[C@@H](C(=O)O)N)O Amb17607759 [1,1,0,0,0,0|2,0,0]=4 927 B9R0.42 O=[15N][15N](CC(C(=O)O)N)O Amb17607758 [1,1,0,0,0,0|2,0,0]=4 928 B9R0.42 OC(=O)C(O)CC(=O)CBr Amb24477419 [1,1,0,0,0,0|1,1,0]=4 929 B9R0.57 CC(CS(O)(=O)=O)C(O)=O Amb25101588 [1,1,0,0,0,0|2,0,0]=4 930 B9R0.57 NC(CS(O)(=O)=O)C(O)=O Amb21929317 [1,1,0,0,0,0|2,0,0]=4 931 B9R0.57 N[C@@H](CS(O)(=O)=O)C(O)=O Amb17942867 [1,1,0,0,0,0|2,0,0]=4 932 B9R0.57 OC(=O)[C@H](C[C](=O)(O)C)N Amb10604178 [1,1,0,0,0,0|1,0,1]=4 933 B9R0.57 OC(CS(O)(=O)=O)C(O)=O Amb20247567 [1,1,0,0,0,0|1,1,0]=4 934 B9R0.57 O[C@H](CS(O)(=O)=O)C(O)=O Amb24482388 [1,1,0,0,0,0|1,1,0]=4 935 B11R0.206 CN(C(S)C(O)=O)C(S)C(O)=O Amb24101398 [0,1,0,0,0,1|2,0,0]=4 936 B11R0.335 [2H]C([2H])(CC(O)=O)C(N)C(O)=O Amb22367249 [0,1,0,0,0,1|2,0,0]=4 937 B11R0.117 CC(CC(C)C(=O)OC)C(O)=O Amb18647808 [0,1,0,0,0,1|2,0,0]=4 938 B11R0.169 CC(C(=O)O)SC(C(=O)O)(C)C Amb17501629 [0,1,0,0,0,1|2,0,0]=4 939 B11R0.169 CC(C)(C[C@@H](N)C(O)=O)C(O)=O Amb19131979 [0,1,0,0,0,1|2,0,0]=4 940 B11R0.169 NC(C(=O)O)CC(C(=O)O)(F)F Amb16185493 [0,1,0,0,0,1|2,0,0]=4 941 B11R0.169 N[C@@H](CC(F)(F)C(O)=O)C(O)=O Amb19375300 [0,1,0,0,0,1|2,0,0]=4 942 B11R0.275 CCC(C(=O)O)SC(C(=O)O)C Amb17501326 [0,1,0,0,0,1|2,0,0]=4 943 B11R0.66 CC(C(C)C(=O)NO)C(=O)NO Amb24363524 [0,2,0,0,0,0|2,0,0]=4 944 B11R0.66 COC(=O)C(C(C(=O)OC)F)Br Amb10845730 [0,2,0,0,0,0|2,0,0]=4 945 B11R0.66 COC(=O)C(C(C(=O)OC)O)O Amb1781465 [0,2,0,0,0,0|0,2,0]=4 946 B11R0.66 COC(=O)[C@@H](Br)[C@@H](F)C(=O)OC Amb22735469 [0,2,0,0,0,0|2,0,0]=4 947 B11R0.66 COC(=O)[C@@H](O)[C@@H](O)C(=O)OC Amb22747698 [0,2,0,0,0,0|0,2,0]=4 948 B11R0.66 NC(C(Cl)C(=O)NO)C(=O)NO Amb24595831 [0,2,0,0,0,0|2,0,0]=4 949 B11R0.66 O[C@H]([C@@H](O)C(=O)NO)C(=O)NO Amb25158050 [0,2,0,0,0,0|0,2,0]=4 950 B11R0.296 CCC(C(CC)C(O)=O)C(O)=O Amb18647820 [0,2,0,0,0,0|2,0,0]=4 951 B11R0.317 CC(C)[C@@H]([C@H](O)C(O)=O)C(O)=O Amb24117453 [0,2,0,0,0,0|1,1,0]=4 952 B11R0.198 CC(Cl)(C(O)=O)C(C)(Cl)C(O)=O Amb24680231 [0,2,0,0,0,0|2,0,0]=4 953 B11R0.198 CC(N)(C(O)=O)C(C)(N)C(O)=O Amb18647946 [0,2,0,0,0,0|2,0,0]=4 954 B11R0.198 CC(O)(C(O)=O)C(C)(O)C(O)=O Amb18648093 [0,2,0,0,0,0|0,2,0]=4 955 B11R0.198 C[C@@](N)(C(O)=O)[C@](C)(N)C(O)=O Amb25331126 [0,2,0,0,0,0|2,0,0]=4 956 B11R0.198 C[C@@](O)(C(O)=O)[C@](C)(O)C(O)=O Amb24423911 [0,2,0,0,0,0|0,2,0]=4 957 B11R0.198 OC(=O)C(F)(Cl)C(F)(F)C(O)=O Amb22411294 [0,2,0,0,0,0|2,0,0]=4 958 B11R0.198 OC(O)(C(O)=O)C(O)(O)C(O)=O Amb22168362 [0,2,0,0,0,0|0,2,0]=4 959 B11R0.198 [2H]C([2H])(C(O)=O)C([2H])(N)C(O)=O Amb22336772 [0,2,0,0,0,0|2,0,0]=4 960 B11R0.198 [2H]C([2H])(C(O)=O)C([2H])(O)C(O)=O Amb22338980 [0,2,0,0,0,0|1,1,0]=4 961 B11R0.198 [2H]C([2H])(C(O)=O)C([2H])([2H])C(O)=O Amb22363164 [0,2,0,0,0,0|2,0,0]=4 962 B11R0.198 [2H][13C]([2H])([13C](O)=O)[13C@]([2H])([15NH2])[13C](O)=O Amb22337018 [0,2,0,0,0,0|2,0,0]=4 963 B9R1.37 CC1C(N)C(=O)OC1=O Amb24549009 [1,0,0,1,0,0|2,0,0]=4 964 B9R1.37 O=C1OC(=O)C(Br)C1Br Amb22339491 [1,0,0,1,0,0|2,0,0]=4 965 B9R1.37 O=C1OC(=O)C(Br)C1Cl Amb25119148 [1,0,0,1,0,0|2,0,0]=4 966 B9R1.37 O=C1OC(=O)[C@H](Cl)[C@H]1Cl Amb25257992 [1,0,0,1,0,0|2,0,0]=4 967 B9R1.37 OC1C(O)C(=O)OC1=O Amb25188995 [1,0,0,1,0,0|0,2,0]=4 968 B9R1.55 CC1C(NC1=O)C(O)=O Amb25339232 [1,0,0,1,0,0|2,0,0]=4 969 B9R1.96 OC(=O)C1CCC1C=O Amb25302625 [1,0,0,1,0,0|2,0,0]=4 970 B9R1.35 CC(=O)C1CC(=O)CS1 Amb24061575 [1,0,0,1,0,0|2,0,0]=4 971 B9R1.35 CC(=O)[C@@H]1CC(=O)OC1 Amb18832647 [1,0,0,1,0,0|2,0,0]=4 972 B9R1.35 CC(=O)[C@H]1CC(=O)OC1 Amb24390313 [1,0,0,1,0,0|2,0,0]=4 973 B9R1.35 O=C1CC(CO1)C(=O)Cl Amb25146217 [1,0,0,1,0,0|2,0,0]=4 974 B9R1.35 O=C1NCC(C1)C(=O)O Amb1129202 [1,0,0,1,0,0|2,0,0]=4 975 B9R1.35 O=C1OCC(N1)C(=O)O Amb15701690 [1,0,0,1,0,0|2,0,0]=4 976 B9R1.35 O=C1SCC(C1)C(=O)O Amb10073724 [1,0,0,1,0,0|1,1,0]=4 977 B9R1.35 OC(=O)C1CC(=O)CS1 Amb24061425 [1,0,0,1,0,0|1,0,0]=3 978 B9R1.35 OC(=O)C1CC(=O)NN1 Amb18642739 [1,0,0,1,0,0|2,0,0]=4 979 B9R1.35 OC(=O)C1CC(=O)OC1 Amb22642307 [1,0,0,1,0,0|1,0,0]=3 980 B9R1.35 OC(=O)C1COC(=O)N1 Amb24288785 [1,0,0,1,0,0|2,0,0]=4 981 B9R1.35 OC(=O)C1COC(=O)O1 Amb25767974 [1,0,0,1,0,0|2,0,0]=4 982 B9R1.35 OC(=O)C1OC(=O)CS1 Amb25063335 [1,0,0,1,0,0|2,0,0]=4 983 B9R1.35 OC(=O)C=1CC(=O)ON1 Amb25700026 [1,0,0,1,0,0|1,0,1]=4 984 B9R1.35 OC(=O)[C@@H]1CC(=O)CC1 Amb22746923 [1,0,0,1,0,0|2,0,0]=4 985 B9R1.35 OC(=O)[C@@H]1CC(=O)CN1 Amb19516117 [1,0,0,1,0,0|2,0,0]=4 986 B9R1.35 OC(=O)[C@@H]1CC(=O)CN1 Amb22747440 [1,0,0,1,0,0|2,0,0]=4 987 B9R1.35 OC(=O)[C@@H]1CC(=O)NC1 Amb23439643 [1,0,0,1,0,0|2,0,0]=4 988 B9R1.35 OC(=O)[C@@H]1COC(=O)N1 Amb19517080 [1,0,0,1,0,0|2,0,0]=4 989 B9R1.35 OC(=O)[C@H]1CC(=O)CN1 Amb25360885 [1,0,0,1,0,0|2,0,0]=4 990 B9R1.35 OC(=O)[C@H]1COC(=O)N1 Amb24340149 [1,0,0,1,0,0|2,0,0]=4 991 B9R1.152 CC(=O)[C@]1(C)CC(=O)O1 Amb24340260 [1,0,0,1,0,0|2,0,0]=4 992 B9R1.152 CC1(CC(=O)C1)C(O)=O Amb22406208 [1,0,0,1,0,0|2,0,0]=4 993 B9R1.161 CC(=O)C1OC1C(O)=O Amb25233192 [1,0,0,1,0,0|1,1,0]=4 994 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [1,0,0,1,0,0|2,0,0]=4 995 B9R1.161 NC(=O)C1OC1C(O)=O Amb25695985 [1,0,0,1,0,0|1,1,0]=4 996 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(O)=O Amb24623178 [1,0,0,1,0,0|2,0,0]=4 997 B9R1.161 NC(=O)[C@H]1O[C@H]1C(O)=O Amb25174864 [1,0,0,1,0,0|1,1,0]=4 998 B9R1.161 OC(=O)C1CC1C(=O)O Amb1350467 [1,0,0,1,0,0|1,0,0]=3 999 B9R1.161 OC(=O)[C@@H]1C[C@@H]1C(=O)Cl Amb25175103 [1,0,0,1,0,0|2,0,0]=4 1000 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(=O)Cl Amb24402096 [1,0,0,1,0,0|2,0,0]=4 1001 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(O)=O Amb22901897 [1,0,0,1,0,0|1,0,0]=3 1002 B9R1.161 OC(=O)[C@@H]1O[C@H]1C(O)=O Amb22799776 [1,0,0,1,0,0|0,1,0]=3 1003 B9R1.161 OC(=O)[C@H]1O[C@@H]1C(O)=O Amb22262951 [1,0,0,1,0,0|0,1,0]=3 1004 B11R1.490 CC1CC(=O)OC1(C)C(O)=O Amb18644983 [0,0,0,1,0,1|2,0,0]=4 1005 B11R1.490 C[C@@H]1CC(=O)O[C@]1(C)C(O)=O Amb25238261 [0,0,0,1,0,1|2,0,0]=4 1006 B11R1.672 CC1C(OC(=O)C1C)C(O)=O Amb25111156 [0,0,0,1,0,1|2,0,0]=4 1007 B11R1.672 CC1C(OC(=O)C1O)C(O)=O Amb25191183 [0,0,0,1,0,1|1,1,0]=4 1008 B11R1.672 OC(=O)[C@@H]1OC(=O)[C@@H](O)[C@H]1O Amb24711456 [0,0,0,1,0,1|0,2,0]=4 1009 B11R1.704 NC(C1CC1C(O)=O)C(O)=O Amb24447417 [0,0,0,1,0,1|2,0,0]=4 1010 B11R1.704 NC(C1C[C@@H]1C(O)=O)C(O)=O Amb25689113 [0,0,0,1,0,1|2,0,0]=4 1011 B11R1.704 N[C@@H](C1CC1C(O)=O)C(O)=O Amb25794472 [0,0,0,1,0,1|2,0,0]=4 1012 B11R1.704 N[C@@H]([C@@H]1CC1C(O)=O)C(O)=O Amb24512148 [0,0,0,1,0,1|2,0,0]=4 1013 B11R1.704 N[C@@H]([C@@H]1C[C@@H]1C(O)=O)C(O)=O Amb22352678 [0,0,0,1,0,1|2,0,0]=4 1014 B11R1.704 N[C@@H]([C@@H]1C[C@H]1C(O)=O)C(O)=O Amb25210847 [0,0,0,1,0,1|2,0,0]=4 1015 B11R1.704 N[C@@H]([C@H]1CC1C(O)=O)C(O)=O Amb25273752 [0,0,0,1,0,1|2,0,0]=4 1016 B11R1.704 N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O Amb19930360 [0,0,0,1,0,1|2,0,0]=4 1017 B11R1.704 N[C@@H]([C@H]1C[C@H]1C(O)=O)C(O)=O Amb22388556 [0,0,0,1,0,1|2,0,0]=4 1018 B11R1.704 N[C@H]([C@@H]1CC1C(O)=O)C(O)=O Amb25274088 [0,0,0,1,0,1|2,0,0]=4 1019 B11R1.704 N[C@H]([C@@H]1C[C@@H]1C(O)=O)C(O)=O Amb25274089 [0,0,0,1,0,1|2,0,0]=4 1020 B11R1.704 N[C@H]([C@@H]1C[C@H]1C(O)=O)C(O)=O Amb25242512 [0,0,0,1,0,1|2,0,0]=4 1021 B11R1.704 N[C@H]([C@H]1C[C@H]1C(O)=O)C(O)=O Amb24692814 [0,0,0,1,0,1|2,0,0]=4 1022 B11R1.708 OC(=O)CC1CCC1C(O)=O Amb25758770 [0,0,0,1,0,1|2,0,0]=4 1023 B11R1.708 OC(=O)C[C@@H]1CC[C@H]1C(O)=O Amb24612096 [0,0,0,1,0,1|2,0,0]=4 1024 B11R1.708 OC(=O)C[C@@H]1CN[C@H]1C(O)=O Amb19131121 [0,0,0,1,0,1|2,0,0]=4 1025 B11R1.927 N[C@@]1(C[C@@H]1CC(O)=O)C(O)=O Amb19148343 [0,0,0,1,0,1|2,0,0]=4 1026 B11R1.927 N[C@@]1(C[C@@H]1CC(O)=O)C(O)=O Amb25321870 [0,0,0,1,0,1|2,0,0]=4 1027 B11R1.927 N[C@]1(C[C@H]1CC(O)=O)C(O)=O Amb25179270 [0,0,0,1,0,1|2,0,0]=4 1028 B11R1.1293 CC1C(C(O)=O)C1(C)C(O)=O Amb25201988 [0,0,0,1,0,1|2,0,0]=4 1029 B11R1.1293 C[C@@H]1[C@@H](C(O)=O)[C@@]1(C)C(O)=O Amb24512172 [0,0,0,1,0,1|2,0,0]=4 1030 B11R1.1293 C[C@@H]1[C@@H](C(O)=O)[C@@]1(Cl)C(O)=O Amb24512150 [0,0,0,1,0,1|2,0,0]=4 1031 B11R1.1293 C[C@@H]1[C@@H](C(O)=O)[C@]1(Cl)C(O)=O Amb24626629 [0,0,0,1,0,1|2,0,0]=4 1032 B11R1.1293 C[C@H]1[C@@H](C(O)=O)[C@@]1(Cl)C(O)=O Amb25361066 [0,0,0,1,0,1|2,0,0]=4 1033 B11R1.21 CC1CC(COC1=O)C(O)=O Amb24442976 [0,0,0,1,0,1|2,0,0]=4 1034 B11R1.175 CC(=O)[C@@H]1NC(CS1)C(O)=O Amb24487680 [0,0,0,1,0,1|2,0,0]=4 1035 B11R1.175 CC(=O)[C@H]1NC(CS1)C(O)=O Amb25226564 [0,0,0,1,0,1|2,0,0]=4 1036 B11R1.175 OC(=O)C1C=CC(O1)C(O)=O Amb24433954 [0,0,0,1,0,1|2,0,0]=4 1037 B11R1.175 OC(=O)C1CC(CO1)C(O)=O Amb23454154 [0,0,0,1,0,1|1,1,0]=4 1038 B11R1.175 OC(=O)C1CC(CS1)C(O)=O Amb18647960 [0,0,0,1,0,1|1,0,0]=3 1039 B11R1.175 OC(=O)C1CC(SS1)C(O)=O Amb24433441 [0,0,0,1,0,1|0,0,0]=2 1040 B11R1.175 OC(=O)C1CCC(C1)C(=O)O Amb2505466 [0,0,0,1,0,1|2,0,0]=4 1041 B11R1.175 OC(=O)C1CCC(O1)C(O)=O Amb18126226 [0,0,0,1,0,1|2,0,0]=4 1042 B11R1.175 OC(=O)C1SCC(N1)C(=O)O Amb2421539 [0,0,0,1,0,1|1,0,0]=3 1043 B11R1.175 OC(=O)[C@@H]1CC[C@@H](O1)C(=O)O Amb17620468 [0,0,0,1,0,1|2,0,0]=4 1044 B11R1.175 OC(=O)[C@@H]1CC[C@@H](S1)C(O)=O Amb23560340 [0,0,0,1,0,1|2,0,0]=4 1045 B11R1.175 OC(=O)[C@@H]1CC[C@H](N1)C(O)=O Amb25174831 [0,0,0,1,0,1|2,0,0]=4 1046 B11R1.175 OC(=O)[C@@H]1CC[C@H](S1)C(O)=O Amb23560341 [0,0,0,1,0,1|2,0,0]=4 1047 B11R1.175 OC(=O)[C@@H]1COC(N1)C(O)=O Amb24375687 [0,0,0,1,0,1|1,1,0]=4 1048 B11R1.175 OC(=O)[C@@H]1C[C@@H](CN1)C(O)=O Amb22262950 [0,0,0,1,0,1|2,0,0]=4 1049 B11R1.175 OC(=O)[C@@H]1C[C@@H](CS1)C(O)=O Amb24692652 [0,0,0,1,0,1|1,0,0]=3 1050 B11R1.175 OC(=O)[C@@H]1C[C@H](CC1)C(O)=O Amb22744933 [0,0,0,1,0,1|2,0,0]=4 1051 B11R1.175 OC(=O)[C@@H]1C[C@H](CN1)C(O)=O Amb19930523 [0,0,0,1,0,1|2,0,0]=4 1052 B11R1.175 OC(=O)[C@@H]1C[C@H](CS1)C(O)=O Amb25295506 [0,0,0,1,0,1|1,0,0]=3 1053 B11R1.175 OC(=O)[C@@H]1C[C@H](NN1)C(O)=O Amb24626610 [0,0,0,1,0,1|2,0,0]=4 1054 B11R1.175 OC(=O)[C@@H]1SC[C@H](N1)C(=O)O Amb16203732 [0,0,0,1,0,1|1,0,0]=3 1055 B11R1.175 OC(=O)[C@H]1CC(CN1)C(O)=O Amb25701728 [0,0,0,1,0,1|2,0,0]=4 1056 B11R1.175 OC(=O)[C@H]1CC[C@@H](O1)C(O)=O Amb25241964 [0,0,0,1,0,1|2,0,0]=4 1057 B11R1.175 OC(=O)[C@H]1CC[C@@H](S1)C(O)=O Amb24611890 [0,0,0,1,0,1|2,0,0]=4 1058 B11R1.175 OC(=O)[C@H]1CC[C@H](N1)C(O)=O Amb24538157 [0,0,0,1,0,1|2,0,0]=4 1059 B11R1.175 OC(=O)[C@H]1CO[C@H](O1)C(O)=O Amb24584796 [0,0,0,1,0,1|1,1,0]=4 1060 B11R1.175 OC(=O)[C@H]1CSC(N1)C(O)=O Amb24759082 [0,0,0,1,0,1|1,0,0]=3 1061 B11R1.175 OC(=O)[C@H]1CS[C@@H](N1)C(O)=O Amb24635691 [0,0,0,1,0,1|1,0,0]=3 1062 B11R1.175 OC(=O)[C@H]1CS[C@H](N1)C(O)=O Amb25179305 [0,0,0,1,0,1|1,0,0]=3 1063 B11R1.175 OC(=O)[C@H]1C[C@@H](CN1)C(O)=O Amb24559908 [0,0,0,1,0,1|2,0,0]=4 1064 B11R1.175 OC(=O)[C@H]1C[C@@H](NN1)C(O)=O Amb24061688 [0,0,0,1,0,1|2,0,0]=4 1065 B11R1.175 OC(=O)[C@H]1C[C@H](NN1)C(O)=O Amb24061689 [0,0,0,1,0,1|2,0,0]=4 1066 B11R1.175 OC(=O)[C@H]1C[C@H](SS1)C(O)=O Amb25101012 [0,0,0,1,0,1|0,0,0]=2 1067 B11R1.175 [C@H]1(CSC(N1)C(O)=O)C(O)=O Amb17872022 [0,0,0,1,0,1|1,0,0]=3 1068 B11R1.487 CC1(CC(N)C(=O)O1)C(O)=O Amb24561712 [0,0,0,1,0,1|2,0,0]=4 1069 B11R1.487 CC1SC(C)(OC1=O)C(O)=O Amb24488008 [0,0,0,1,0,1|2,0,0]=4 1070 B11R1.487 OC(=O)C1(O)CC(O)C(=O)O1 Amb25320929 [0,0,0,1,0,1|0,2,0]=4 1071 B11R1.1387 CC1(CC1(C)C(O)=O)C(O)=O Amb25373993 [0,0,0,1,0,1|2,0,0]=4 1072 B11R1.1387 CC1(CC1(Cl)C(O)=O)C(O)=O Amb25363285 [0,0,0,1,0,1|2,0,0]=4 1073 B11R1.1387 CC1(OC1(C)C(O)=O)C(O)=O Amb25315650 [0,0,0,1,0,1|2,0,0]=4 1074 B11R1.1389 NC1(CC(C1)C(O)=O)C(O)=O Amb23592289 [0,0,0,1,0,1|2,0,0]=4 1075 B11R1.1389 N[C@@]1(C[C@@H](C1)C(O)=O)C(O)=O Amb19297840 [0,0,0,1,0,1|2,0,0]=4 1076 B11R1.1389 N[C@@]1(C[C@H](C1)C(O)=O)C(O)=O Amb24468408 [0,0,0,1,0,1|2,0,0]=4 1077 B11R1.89 CC(C1CCOC1=O)C(O)=O Amb25701768 [0,1,0,1,0,0|2,0,0]=4 1078 B11R1.499 OC1C(O)C(=O)O[BH2-]OC1=O Amb24704491 [0,1,0,1,0,0|0,2,0]=4 1079 B11R1.868 COC(=O)[C@H]1C[C@@]1(C)C(O)=O Amb25363170 [0,1,0,1,0,0|2,0,0]=4 1080 B11R1.870 COC(=O)C1C=CC1C(O)=O Amb25028121 [0,1,0,1,0,0|2,0,0]=4 1081 B11R1.870 COC(=O)C1CCC1C(O)=O Amb25844392 [0,1,0,1,0,0|2,0,0]=4 1082 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(O)=O Amb23439085 [0,1,0,1,0,0|2,0,0]=4 1083 B11R1.870 COC(=O)[C@H]1C=C[C@H]1C(O)=O Amb25200966 [0,1,0,1,0,0|2,0,0]=4 1084 B11R1.888 COC(=O)C1(C)CC1C(O)=O Amb25104877 [0,1,0,1,0,0|2,0,0]=4 1085 B11R1.64 CCC1C(COC1=O)C(O)=O Amb25189307 [0,1,0,1,0,0|2,0,0]=4 1086 B11R1.64 CC[C@@H]1[C@H](COC1=O)C(O)=O Amb25216956 [0,1,0,1,0,0|2,0,0]=4 1087 B11R1.64 CC[C@H]1[C@@H](COC1=O)C(O)=O Amb24571752 [0,1,0,1,0,0|2,0,0]=4 1088 B11R1.64 CC[C@H]1[C@H](COC1=O)C(O)=O Amb24600687 [0,1,0,1,0,0|2,0,0]=4 1089 B11R1.64 OC(=O)C1COC(=O)C1CO Amb24453282 [0,1,0,1,0,0|1,1,0]=4 1090 B11R1.64 OC(=O)[C@@H]1COC(=O)[C@H]1CO Amb25238334 [0,1,0,1,0,0|1,1,0]=4 1091 B11R1.108 C=C1CC(C1C(O)=O)C(O)=O Amb25109156 [0,1,0,1,0,0|2,0,0]=4 1092 B11R1.178 OC(=O)C1CCC[C@@H]1C(O)=O Amb25172821 [0,1,0,1,0,0|2,0,0]=4 1093 B11R1.178 OC(=O)C1CNCC1C(O)=O Amb22495455 [0,1,0,1,0,0|2,0,0]=4 1094 B11R1.178 OC(=O)C1COCC1C(O)=O Amb23571987 [0,1,0,1,0,0|1,1,0]=4 1095 B11R1.178 OC(=O)C1NCCC1C(O)=O Amb22741053 [0,1,0,1,0,0|2,0,0]=4 1096 B11R1.178 OC(=O)C1NCCC1C(O)=O Amb24060966 [0,1,0,1,0,0|2,0,0]=4 1097 B11R1.178 OC(=O)C1OCOC1C(O)=O Amb24513880 [0,1,0,1,0,0|0,2,0]=4 1098 B11R1.178 OC(=O)[C@@H]1CCC[C@@H]1C(=O)O Amb13890829 [0,1,0,1,0,0|2,0,0]=4 1099 B11R1.178 OC(=O)[C@@H]1CNC[C@H]1C(O)=O Amb25200351 [0,1,0,1,0,0|2,0,0]=4 1100 B11R1.178 OC(=O)[C@@H]1OCO[C@H]1C(O)=O Amb25173184 [0,1,0,1,0,0|0,2,0]=4 1101 B11R1.178 OC(=O)[C@H]1CC=C[C@@H]1C(O)=O Amb24551403 [0,1,0,1,0,0|2,0,0]=4 1102 B11R1.178 OC(=O)[C@H]1CCC[C@@H]1C(O)=O Amb25173035 [0,1,0,1,0,0|2,0,0]=4 1103 B11R1.178 OC(=O)[C@H]1CSC[C@H]1C(O)=O Amb25322060 [0,1,0,1,0,0|1,0,0]=3 1104 B11R1.418 CCC1(CC1C(O)=O)C(O)=O Amb25772933 [0,1,0,1,0,0|2,0,0]=4 1105 B11R1.418 CC[C@@]1(O[C@H]1C(O)=O)C(O)=O Amb24692745 [0,1,0,1,0,0|1,1,0]=4 1106 B11R1.418 CC[C@]1(C[C@@H]1C(O)=O)C(O)=O Amb24511921 [0,1,0,1,0,0|2,0,0]=4 1107 B11R1.418 COC1(CC1C(O)=O)C(O)=O Amb24385414 [0,1,0,1,0,0|1,1,0]=4 1108 B11R1.418 CS[C@@]1(C[C@@H]1C(O)=O)C(O)=O Amb24580417 [0,1,0,1,0,0|1,0,0]=3 1109 B11R1.418 CS[C@]1(C[C@H]1C(O)=O)C(O)=O Amb25176096 [0,1,0,1,0,0|1,0,0]=3 1110 B11R1.673 CC1OC(=O)C(N)C1C(O)=O Amb25351485 [0,1,0,1,0,0|2,0,0]=4 1111 B11R1.673 CC1OC(=O)C(O)C1C(O)=O Amb25185337 [0,1,0,1,0,0|1,1,0]=4 1112 B11R1.673 C[C@@H]1OC(=O)[C@H](C)[C@@H]1C(O)=O Amb25257398 [0,1,0,1,0,0|2,0,0]=4 1113 B11R1.673 C[C@H]1OC(=O)[C@@H](N)[C@@H]1C(O)=O Amb24652351 [0,1,0,1,0,0|2,0,0]=4 1114 B11R1.723 CC1(C=CC1C(O)=O)C(O)=O Amb24650921 [0,1,0,1,0,0|2,0,0]=4 1115 B11R1.723 NC1(CCC1C(O)=O)C(O)=O Amb24381448 [0,1,0,1,0,0|2,0,0]=4 1116 B11R1.1109 N[C@@H](C(O)=O)C1(CC1)C(O)=O Amb24558206 [0,1,0,1,0,0|2,0,0]=4 1117 B11R1.1109 N[C@H](C(O)=O)C1(CC1)C(O)=O Amb22802389 [0,1,0,1,0,0|2,0,0]=4 1118 B11R1.1109 OC(C(O)=O)C1(CC1)C(O)=O Amb25806065 [0,1,0,1,0,0|1,1,0]=4 1119 B11R1.315 CC1(C)C(COC1=O)C(O)=O Amb24470090 [0,1,0,1,0,0|2,0,0]=4 1120 B11R1.315 CC1(C)[C@@H](COC1=O)C(O)=O Amb24739644 [0,1,0,1,0,0|2,0,0]=4 1121 B9R0.7 C=C(NCC(O)=O)C(O)=O Amb24350752 [1,0,0,0,0,1|1,0,1]=4 1122 B9R0.7 CC(=O)C(Br)CCC(O)=O Amb25733508 [1,0,0,0,0,1|2,0,0]=4 1123 B9R0.7 CC(=O)CCC(C)C(O)=O Amb18644099 [1,0,0,0,0,1|2,0,0]=4 1124 B9R0.7 CC(=O)CCC(N)C(O)=O Amb20669473 [1,0,0,0,0,1|2,0,0]=4 1125 B9R0.7 CC(=O)CCC(N)C(O)=O Amb22157242 [1,0,0,0,0,1|2,0,0]=4 1126 B9R0.7 CC(=O)CC[C@@H](N)C(O)=O Amb19130479 [1,0,0,0,0,1|2,0,0]=4 1127 B9R0.7 CC(=O)CC[C@H](N)C(O)=O Amb25147501 [1,0,0,0,0,1|2,0,0]=4 1128 B9R0.7 CC(=O)CSC(C(=O)O)C Amb17501621 [1,0,0,0,0,1|2,0,0]=4 1129 B9R0.7 CC(=O)NCC(C)C(O)=O Amb18300085 [1,0,0,0,0,1|2,0,0]=4 1130 B9R0.7 CC(=O)NCC(F)C(O)=O Amb25356174 [1,0,0,0,0,1|2,0,0]=4 1131 B9R0.7 CC(=O)NCC(O)C(O)=O Amb25374579 [1,0,0,0,0,1|1,1,0]=4 1132 B9R0.7 CC(=O)NC[C@H](N)C(O)=O Amb25772091 [1,0,0,0,0,1|2,0,0]=4 1133 B9R0.7 CC(=O)NC[C@H](O)C(O)=O Amb24480830 [1,0,0,0,0,1|1,1,0]=4 1134 B9R0.7 CC(=O)OCC(C(=O)O)N Amb17593668 [1,0,0,0,0,1|2,0,0]=4 1135 B9R0.7 CC(=O)OCC(Cl)C(O)=O Amb24425506 [1,0,0,0,0,1|2,0,0]=4 1136 B9R0.7 CC(=O)OC[C@@H](C)C(O)=O Amb25187888 [1,0,0,0,0,1|2,0,0]=4 1137 B9R0.7 CC(=O)OC[C@@H](N)C(O)=O Amb22756697 [1,0,0,0,0,1|2,0,0]=4 1138 B9R0.7 CC(=O)SCC(Cl)C(O)=O Amb24423824 [1,0,0,0,0,1|2,0,0]=4 1139 B9R0.7 CC(=O)SCC(N)C(O)=O Amb22490452 [1,0,0,0,0,1|2,0,0]=4 1140 B9R0.7 CC(=O)SC[C@@H](C(=O)O)N Amb16185419 [1,0,0,0,0,1|2,0,0]=4 1141 B9R0.7 CC(=O)[C@@H](C)CCC(O)=O Amb25333003 [1,0,0,0,0,1|2,0,0]=4 1142 B9R0.7 CC(=O)[C@@H](N)CCC(O)=O Amb24386065 [1,0,0,0,0,1|2,0,0]=4 1143 B9R0.7 CC(=O)[C@H](C)CCC(O)=O Amb24671283 [1,0,0,0,0,1|2,0,0]=4 1144 B9R0.7 CC(CNC(N)=O)C(O)=O Amb18298054 [1,0,0,0,0,1|2,0,0]=4 1145 B9R0.7 CC(N=CC(O)=O)C(O)=O Amb24446584 [1,0,0,0,0,1|1,0,1]=4 1146 B9R0.7 CC(OCC(N)=O)C(O)=O Amb24660109 [1,0,0,0,0,1|2,0,0]=4 1147 B9R0.7 CC(OCC(O)=O)C(O)=O Amb25292152 [1,0,0,0,0,1|1,0,0]=3 1148 B9R0.7 CC(\C=C\C(O)=O)C(O)=O Amb24409525 [1,0,0,0,0,1|1,0,1]=4 1149 B9R0.7 C[C@@H](CCC(O)=O)C(O)=O Amb22799543 [1,0,0,0,0,1|1,0,0]=3 1150 B9R0.7 C[C@@H](NCC(N)=O)C(O)=O Amb25849548 [1,0,0,0,0,1|2,0,0]=4 1151 B9R0.7 C[C@@H](NCC(O)=O)C(O)=O Amb22748947 [1,0,0,0,0,1|1,0,0]=3 1152 B9R0.7 C[C@@H](SCC(O)=O)C(O)=O Amb24482305 [1,0,0,0,0,1|1,0,0]=3 1153 B9R0.7 C[C@H](CCC(O)=O)C(O)=O Amb22225175 [1,0,0,0,0,1|1,0,0]=3 1154 B9R0.7 C[C@H](NCC(N)=O)C(O)=O Amb24753576 [1,0,0,0,0,1|2,0,0]=4 1155 B9R0.7 C[C@H](NCC(O)=O)C(O)=O Amb25133540 [1,0,0,0,0,1|1,0,0]=3 1156 B9R0.7 C[C@H](OCC(O)=O)C(O)=O Amb24393806 [1,0,0,0,0,1|1,0,0]=3 1157 B9R0.7 N=C(CCC(O)=O)C(O)=O Amb25064299 [1,0,0,0,0,1|1,0,1]=4 1158 B9R0.7 NC(=O)C(N)CCC(O)=O Amb18644256 [1,0,0,0,0,1|2,0,0]=4 1159 B9R0.7 NC(=O)CCC(F)C(O)=O Amb24745286 [1,0,0,0,0,1|2,0,0]=4 1160 B9R0.7 NC(=O)CCC(O)C(O)=O Amb25275311 [1,0,0,0,0,1|1,1,0]=4 1161 B9R0.7 NC(=O)CC[13C@H](N)[13C](O)=O Amb22338972 [1,0,0,0,0,1|2,0,0]=4 1162 B9R0.7 NC(=O)CC[C@H](Br)C(O)=O Amb25223377 [1,0,0,0,0,1|2,0,0]=4 1163 B9R0.7 NC(=O)NCC(C(=O)O)F Amb17610485 [1,0,0,0,0,1|2,0,0]=4 1164 B9R0.7 NC(=O)NC[C@@H](C(=O)O)C Amb10844047 [1,0,0,0,0,1|2,0,0]=4 1165 B9R0.7 NC(=O)NC[C@@H](F)C(O)=O Amb24389552 [1,0,0,0,0,1|2,0,0]=4 1166 B9R0.7 NC(=O)NC[C@H](C(=O)O)N Amb10068479 [1,0,0,0,0,1|2,0,0]=4 1167 B9R0.7 NC(=O)N[13CH2][13CH]([13C](=O)O)F Amb17610486 [1,0,0,0,0,1|2,0,0]=4 1168 B9R0.7 NC(=O)SC[C@H](C(=O)O)N Amb10072293 [1,0,0,0,0,1|2,0,0]=4 1169 B9R0.7 NC(=O)SC[C@H](N)C(O)=O Amb22735296 [1,0,0,0,0,1|2,0,0]=4 1170 B9R0.7 NC(=O)[C@@H](N)CCC(O)=O Amb22745051 [1,0,0,0,0,1|2,0,0]=4 1171 B9R0.7 NC(=O)[C@H](N)CCC(O)=O Amb24557281 [1,0,0,0,0,1|2,0,0]=4 1172 B9R0.7 NC(CCC(=O)Br)C(O)=O Amb25224344 [1,0,0,0,0,1|2,0,0]=4 1173 B9R0.7 NC(CCC(O)=O)C(=O)[Na] Amb24375221 [1,0,0,0,0,1|2,0,0]=4 1174 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350008 [1,0,0,0,0,1|1,0,0]=3 1175 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350165 [1,0,0,0,0,1|1,0,0]=3 1176 B9R0.7 NC(CCC(O)=O)P(O)=O Amb24340498 [1,0,0,0,0,1|2,0,0]=4 1177 B9R0.7 NC(CCC(O)=O)[13C](O)=O Amb22367384 [1,0,0,0,0,1|1,0,0]=3 1178 B9R0.7 NC(CCC(O)=S)C(O)=O Amb25039924 [1,0,0,0,0,1|1,1,0]=4 1179 B9R0.7 NC(CCP(O)=O)C(O)=O Amb25276313 [1,0,0,0,0,1|2,0,0]=4 1180 B9R0.7 NC(CCS(O)=O)C(O)=O Amb22349645 [1,0,0,0,0,1|2,0,0]=4 1181 B9R0.7 NC(CC[13C](O)=O)C(O)=O Amb22366853 [1,0,0,0,0,1|1,0,0]=3 1182 B9R0.7 N[13C](=O)CC[C@@H](C(=O)O)N Amb17614783 [1,0,0,0,0,1|2,0,0]=4 1183 B9R0.7 N[13C](=O)[13CH2][13CH2][13C@H](N)[13C](O)=O Amb22367371 [1,0,0,0,0,1|2,0,0]=4 1184 B9R0.7 N[C@@H](CCC(=O)Br)C(O)=O Amb25123825 [1,0,0,0,0,1|2,0,0]=4 1185 B9R0.7 N[C@@H](CCC(=O)Cl)C(O)=O Amb25065344 [1,0,0,0,0,1|2,0,0]=4 1186 B9R0.7 N[C@@H](CCC(O)=O)C([O-])=O Amb22745619 [1,0,0,0,0,1|1,0,1]=4 1187 B9R0.7 N[C@@H](CCC(O)=O)[13C](O)=O Amb22353662 [1,0,0,0,0,1|1,0,0]=3 1188 B9R0.7 N[C@@H](CCC(O)=S)C(O)=O Amb24480492 [1,0,0,0,0,1|1,1,0]=4 1189 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22338524 [1,0,0,0,0,1|1,0,1]=4 1190 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22350063 [1,0,0,0,0,1|1,0,1]=4 1191 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22800016 [1,0,0,0,0,1|1,0,1]=4 1192 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22801488 [1,0,0,0,0,1|1,0,1]=4 1193 B9R0.7 N[C@@H](CCP(O)=O)C(O)=O Amb22904307 [1,0,0,0,0,1|2,0,0]=4 1194 B9R0.7 N[C@@H]([13CH2]CC(O)=O)C(O)=O Amb22338711 [1,0,0,0,0,1|1,0,0]=3 1195 B9R0.7 N[C@H](CCS(O)=O)C(O)=O Amb24099404 [1,0,0,0,0,1|2,0,0]=4 1196 B9R0.7 OC(=O)C(=S)NCC(O)=O Amb24423880 [1,0,0,0,0,1|0,0,2]=4 1197 B9R0.7 OC(=O)C(Cl)SCC(O)=O Amb24390363 [1,0,0,0,0,1|1,0,0]=3 1198 B9R0.7 OC(=O)C(O)SCC(O)=O Amb24524554 [1,0,0,0,0,1|0,1,0]=3 1199 B9R0.7 OC(=O)CCC(=O)C(=O)O Amb1154117 [1,0,0,0,0,1|0,1,1]=4 1200 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22349893 [1,0,0,0,0,1|0,1,1]=4 1201 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22350267 [1,0,0,0,0,1|0,1,1]=4 1202 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22746233 [1,0,0,0,0,1|0,1,1]=4 1203 B9R0.7 OC(=O)CCC(=O)[13C](O)=O Amb22055609 [1,0,0,0,0,1|0,1,1]=4 1204 B9R0.7 OC(=O)CCC(C(=O)O)Cl Amb17594149 [1,0,0,0,0,1|1,0,0]=3 1205 B9R0.7 OC(=O)CCC(C(=O)O)N Amb1778181 [1,0,0,0,0,1|1,0,0]=3 1206 B9R0.7 OC(=O)CCC(F)C(O)=O Amb25708515 [1,0,0,0,0,1|1,0,0]=3 1207 B9R0.7 OC(=O)CCC(O)C(O)=O Amb18124864 [1,0,0,0,0,1|0,1,0]=3 1208 B9R0.7 OC(=O)CC[C@@H](O)C(O)=O Amb22799690 [1,0,0,0,0,1|0,1,0]=3 1209 B9R0.7 OC(=O)CNC(=O)C(=O)O Amb2447304 [1,0,0,0,0,1|0,1,1]=4 1210 B9R0.7 OC(=O)CSC(C(=O)O)C Amb2431034 [1,0,0,0,0,1|1,0,0]=3 1211 B9R0.7 OC(=O)\C(\Br)=C/CC(O)=O Amb25364176 [1,0,0,0,0,1|1,0,1]=4 1212 B9R0.7 OC(=O)\C=C/C(O)C(O)=O Amb25757882 [1,0,0,0,0,1|0,1,1]=4 1213 B9R0.7 [15NH2]C(=O)CC[C@@H](C(=O)O)N Amb17614782 [1,0,0,0,0,1|2,0,0]=4 1214 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(O)=O Amb22338766 [1,0,0,0,0,1|2,0,0]=4 1215 B9R0.7 [15NH2]C(CCC(O)=O)C(O)=O Amb22336520 [1,0,0,0,0,1|1,0,0]=3 1216 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](O)=O)[13C](O)=O Amb22353585 [1,0,0,0,0,1|1,0,0]=3 1217 B9R0.7 [15NH2][13C](=O)[13CH2][13CH2][13C@H]([15NH2])[13C](O)=O Amb22353586 [1,0,0,0,0,1|2,0,0]=4 1218 B9R0.53 C=C(CC(O)=O)CC(O)=O Amb18644057 [1,0,0,0,0,1|1,0,1]=4 1219 B9R0.53 CC(=O)CC(C)CC(O)=O Amb18644106 [1,0,0,0,0,1|2,0,0]=4 1220 B9R0.53 CC(=O)C[C@@H](CC(=O)O)C Amb10844399 [1,0,0,0,0,1|2,0,0]=4 1221 B9R0.53 CC(=O)OC(C)CC(O)=O Amb18644244 [1,0,0,0,0,1|2,0,0]=4 1222 B9R0.53 CC(=O)O[C@H](C)CC(O)=O Amb25062672 [1,0,0,0,0,1|2,0,0]=4 1223 B9R0.53 CC(CC(O)=O)=CC(O)=O Amb24556420 [1,0,0,0,0,1|1,0,1]=4 1224 B9R0.53 CC(CC(O)=O)CC(N)=O Amb19034796 [1,0,0,0,0,1|2,0,0]=4 1225 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [1,0,0,0,0,1|2,0,0]=4 1226 B9R0.53 N=C(CC(O)=O)CC(O)=O Amb25703517 [1,0,0,0,0,1|1,0,1]=4 1227 B9R0.53 NC(=O)CC(O)CC(O)=O Amb25147276 [1,0,0,0,0,1|1,1,0]=4 1228 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [1,0,0,0,0,1|1,0,0]=3 1229 B9R0.53 OC(=O)C=C(Br)CC(O)=O Amb24573499 [1,0,0,0,0,1|1,0,1]=4 1230 B9R0.53 OC(=O)CC(Cl)CC(O)=O Amb18126464 [1,0,0,0,0,1|1,0,0]=3 1231 B9R0.53 OC(=O)CN(Br)CC(O)=O Amb25277216 [1,0,0,0,0,1|2,0,0]=4 1232 B9R0.53 OC(=O)CN(Cl)CC(O)=O Amb24482142 [1,0,0,0,0,1|2,0,0]=4 1233 B9R0.53 OC(=O)C[C@@H](NC(=O)C)C Amb2372568 [1,0,0,0,0,1|2,0,0]=4 1234 B9R0.53 OC(=O)C[C@H](NC(=O)C)C Amb2372567 [1,0,0,0,0,1|2,0,0]=4 1235 B9R0.53 OC(=O)\C=C(/Br)\CC(O)=O Amb25123824 [1,0,0,0,0,1|1,0,1]=4 1236 B9R0.53 OC(CC(=O)O)CC(=O)O Amb17615401 [1,0,0,0,0,1|0,1,0]=3 1237 B9R0.53 ON(CC(O)=O)CC(O)=O Amb25062474 [1,0,0,0,0,1|1,1,0]=4 1238 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb23453377 [1,0,0,0,0,1|2,0,0]=4 1239 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb24121533 [1,0,0,0,0,1|2,0,0]=4 1240 B11R0.149 NC(CC(O)=O)C(N)CC(O)=O Amb24114097 [0,0,0,0,0,2|2,0,0]=4 1241 B11R0.150 CC(CCC(C)C(O)=O)C(O)=O Amb18127177 [0,0,0,0,0,2|2,0,0]=4 1242 B11R0.150 CC(SSC(C)C(O)=O)C(O)=O Amb22731793 [0,0,0,0,0,2|2,0,0]=4 1243 B11R0.150 NC(C(=O)O)CCC(C(=O)O)N Amb10602546 [0,0,0,0,0,2|2,0,0]=4 1244 B11R0.150 NC(C(=O)O)CCC(C(=O)O)N Amb17594468 [0,0,0,0,0,2|2,0,0]=4 1245 B11R0.150 N[C@H](C(=O)O)CC[C@H](C(=O)O)N Amb10603182 [0,0,0,0,0,2|2,0,0]=4