0 B9R0.79 C=C(C)C(C)C(C)C(=O)O Amb28042819 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.79 C=C(C)C(N)C(C)C(=O)O Amb33036349 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.79 C=C(C)C(O)C(C)C(=O)O Amb18644101 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.79 C=C(C)C(O)C(N)C(=O)O Amb33199606 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.79 C=C(C)[C@@H](C)[C@@H](C)C(=O)O Amb28050111 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.79 C=C(C)[C@@H](O)[C@@H](C)C(=O)O Amb28283987 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.79 C=C(C)[C@H](O)[C@@H](O)C(=C)C Amb27829964 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.79 CC(=O)C(=O)C(O)C(C)=O Amb25910745 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.79 CC(=O)C(C)C(C)C(C)=O Amb4016940 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.79 CC(=O)C(C)C(N)C(=O)O Amb18202116 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.79 CC(=O)C(C)C(N)C(N)=O Amb27613013 [0,0,0,0,0,0|4,0,0]=4 11 B9R0.79 CC(=O)C(Cl)C(=O)C(=O)O Amb27600115 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.79 CC(=O)C(O)C(O)C(=O)O Amb25292189 [0,0,0,0,0,0|1,0,0]=1 13 B9R0.79 CC(=O)C(O)C(O)C(C)=O Amb17593650 [0,0,0,0,0,0|2,0,0]=2 14 B9R0.79 CC(=O)N(Cl)[C@@H](C)C(=O)O Amb28458454 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.79 CC(=O)[C@@H](C)[C@@H](O)C(=O)O Amb27661780 [0,0,0,0,0,0|2,0,0]=2 16 B9R0.79 CC(=O)[C@@H](C)[C@H](O)C(=O)O Amb28050113 [0,0,0,0,0,0|2,0,0]=2 17 B9R0.79 CC(=O)[C@@H](O)[C@@H](O)C(C)C Amb28200089 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.79 CC(=O)[C@H](C)[C@@H](C)C(C)=O Amb28202186 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.79 CC(=O)[C@H](C)[C@H](N)C(=O)O Amb27424983 [0,0,0,0,0,0|3,0,0]=3 20 B9R0.79 CC(=S)[C@H](C)[C@H](N)C(=O)O Amb26642807 [0,0,0,0,0,0|3,1,0]=4 21 B9R0.79 CC(C(=O)Cl)C(C)C(=O)Cl Amb22347385 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.79 CC(C(=O)O)C(Br)C(=O)O Amb2612973 [0,0,0,0,0,0|2,0,0]=2 23 B9R0.79 CC(C(=O)O)C(C)C(=O)O Amb8513150 [0,0,0,0,0,0|2,0,0]=2 24 B9R0.79 CC(C(=O)O)C(N)C(=O)O Amb2099482 [0,0,0,0,0,0|2,0,0]=2 25 B9R0.79 CC(C(=O)O)C(O)C(=O)O Amb17593680 [0,0,0,0,0,0|1,0,0]=1 26 B9R0.79 CC(C(N)=O)C(C)C(N)=O Amb28248514 [0,0,0,0,0,0|4,0,0]=4 27 B9R0.79 CC(C)C(N)C(O)C(=O)O Amb27615047 [0,0,0,0,0,0|3,0,1]=4 28 B9R0.79 CC(C)C(O)C(C)C(=O)O Amb18990636 [0,0,0,0,0,0|3,0,1]=4 29 B9R0.79 CC(C)C(O)C(F)C(=O)O Amb33136392 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.79 CC(C)C(O)C(N)C(=O)O Amb23399656 [0,0,0,0,0,0|3,0,1]=4 31 B9R0.79 CC(C)C(O)C(O)C(=O)O Amb27655491 [0,0,0,0,0,0|2,0,1]=3 32 B9R0.79 CC(C)C(O)[C@@H](C)C(=O)O Amb27494047 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O Amb24509492 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.79 CC(C)[C@@H](O)[C@@H](Br)C(=O)O Amb27394249 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.79 CC(C)[C@@H](O)[C@@H](C)C(=O)O Amb27874042 [0,0,0,0,0,0|3,0,1]=4 36 B9R0.79 CC(C)[C@@H](O)[C@H](C)C(=O)O Amb28347218 [0,0,0,0,0,0|3,0,1]=4 37 B9R0.79 CC(C)[C@H](N)[C@H](O)C(=O)O Amb25147282 [0,0,0,0,0,0|3,0,1]=4 38 B9R0.79 CC(C)[C@H](O)[C@@H](C)C(=O)O Amb10844253 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O Amb10807407 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.79 CC(C)[C@H](O)[C@H](C)C(=O)O Amb28346279 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O Amb26333625 [0,0,0,0,0,0|3,0,1]=4 42 B9R0.79 CC(C)[C@H](O)[C@H](O)C(=O)O Amb28050049 [0,0,0,0,0,0|2,0,1]=3 43 B9R0.79 CC(N)C(O)C(C)C(=O)O Amb25870814 [0,0,0,0,0,0|3,0,1]=4 44 B9R0.79 CC(O)C(C)C(C)C(=O)O Amb28059349 [0,0,0,0,0,0|3,0,1]=4 45 B9R0.79 CC(O)C(C)C(N)C(=O)O Amb21953714 [0,0,0,0,0,0|3,0,1]=4 46 B9R0.79 CC(O)C(C)[C@@H](N)C(=O)O Amb22800202 [0,0,0,0,0,0|3,0,1]=4 47 B9R0.79 CC(O)C(C)[C@H](N)C(=O)O Amb27390194 [0,0,0,0,0,0|3,0,1]=4 48 B9R0.79 CC(O)C(O)C(N)C(=O)O Amb27210841 [0,0,0,0,0,0|2,0,1]=3 49 B9R0.79 CC(O)C(O)C(O)C(O)O Amb27969030 [0,0,0,0,0,0|1,0,3]=4 50 B9R0.79 CC(O)[C@@H](C)[C@@H](N)C(=O)O Amb33524291 [0,0,0,0,0,0|3,0,1]=4 51 B9R0.79 C[C@@H](C(=O)O)C(N)C(=O)O Amb27877897 [0,0,0,0,0,0|2,0,0]=2 52 B9R0.79 C[C@@H](C(=O)O)[C@@H](N)C(=O)O Amb27170727 [0,0,0,0,0,0|2,0,0]=2 53 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O Amb25324829 [0,0,0,0,0,0|2,0,0]=2 54 B9R0.79 C[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27243908 [0,0,0,0,0,0|1,0,0]=1 55 B9R0.79 C[C@@H](O)[C@@H](O)[C@H](O)C(N)=O Amb27760015 [0,0,0,0,0,0|2,0,1]=3 56 B9R0.79 C[C@@H](O)[C@H](C)[C@@H](N)C(=O)O Amb27252085 [0,0,0,0,0,0|3,0,1]=4 57 B9R0.79 C[C@@H](O)[C@H](C)[C@H](N)C(=O)O Amb17615448 [0,0,0,0,0,0|3,0,1]=4 58 B9R0.79 C[C@@H]([C@@H](O)C(=O)O)N(C)C Amb28364201 [0,0,0,0,0,0|4,0,0]=4 59 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O Amb22801175 [0,0,0,0,0,0|2,0,0]=2 60 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(N)=O Amb27771245 [0,0,0,0,0,0|3,0,0]=3 61 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb27783086 [0,0,0,0,0,0|2,0,0]=2 62 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O Amb31031234 [0,0,0,0,0,0|2,0,0]=2 63 B9R0.79 C[C@H](C(=O)O)[C@H](Br)C(=O)O Amb27463297 [0,0,0,0,0,0|2,0,0]=2 64 B9R0.79 C[C@H](C(=O)O)[C@H](C)C(=O)O Amb27460990 [0,0,0,0,0,0|2,0,0]=2 65 B9R0.79 C[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27955233 [0,0,0,0,0,0|2,0,0]=2 66 B9R0.79 C[C@H](C(N)=O)[C@H](C)C(N)=O Amb27220901 [0,0,0,0,0,0|4,0,0]=4 67 B9R0.79 C[C@H](N)[C@@H](O)[C@@H](C)C(=O)O Amb27845316 [0,0,0,0,0,0|3,0,1]=4 68 B9R0.79 C[C@H](O)[C@@H](C)[C@@H](N)C(=O)O Amb27655509 [0,0,0,0,0,0|3,0,1]=4 69 B9R0.79 C[C@H](O)[C@@H](O)[C@H](O)[C@@H](C)O Amb27632022 [0,0,0,0,0,0|2,0,2]=4 70 B9R0.79 C[C@H](O)[C@@H](O)[C@H](O)[C@H](C)O Amb27978584 [0,0,0,0,0,0|2,0,2]=4 71 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O Amb27595659 [0,0,0,0,0,0|3,0,1]=4 72 B9R0.79 C[C@H](O)[C@H](O)[C@@H](O)C(=O)O Amb27592166 [0,0,0,0,0,0|1,0,1]=2 73 B9R0.79 C[C@H](O)[C@H](O)[C@@H](O)C(N)=O Amb27424984 [0,0,0,0,0,0|2,0,1]=3 74 B9R0.79 C[C@H](O)[C@H](O)[C@H](O)C(O)O Amb27980487 [0,0,0,0,0,0|1,0,3]=4 75 B9R0.79 C[C@H](O)[C@H](O)[C@H](O)[C@H](C)O Amb27476697 [0,0,0,0,0,0|2,0,2]=4 76 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O Amb25693814 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.79 C\C(C(=O)O)=C(/Cl)C(=O)O Amb27858839 [0,0,0,0,0,0|2,0,2]=4 78 B9R0.79 C\C(C(=O)O)=C(\C)C(=O)O Amb24712245 [0,0,0,0,0,0|2,0,2]=4 79 B9R0.79 C\C(C(=O)O)=C(\O)C(=O)O Amb27867258 [0,0,0,0,0,0|1,0,2]=3 80 B9R0.79 NC(=O)C(N)C(N)C(=O)O Amb27424997 [0,0,0,0,0,0|3,0,0]=3 81 B9R0.79 NC(=O)C(O)C(O)C(=O)O Amb24112928 [0,0,0,0,0,0|1,0,0]=1 82 B9R0.79 NC(=O)C(O)C(O)C(N)=O Amb2842263 [0,0,0,0,0,0|2,0,0]=2 83 B9R0.79 NC(=O)[C@@H](N)[C@@H](O)C(N)=O Amb27259156 [0,0,0,0,0,0|3,0,0]=3 84 B9R0.79 NC(=O)[C@@H](N)[C@H](O)C(N)=O Amb28126957 [0,0,0,0,0,0|3,0,0]=3 85 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(=O)O Amb24763774 [0,0,0,0,0,0|2,0,0]=2 86 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(=O)O Amb28341817 [0,0,0,0,0,0|1,0,0]=1 87 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(N)=O Amb24385859 [0,0,0,0,0,0|2,0,0]=2 88 B9R0.79 NC(C(=O)O)C(F)C(=O)O Amb24061061 [0,0,0,0,0,0|2,0,0]=2 89 B9R0.79 NC(C(=O)O)C(N)C(=O)O Amb24117894 [0,0,0,0,0,0|2,0,0]=2 90 B9R0.79 NC(C(=O)O)C(O)C(=O)O Amb9871461 [0,0,0,0,0,0|1,0,0]=1 91 B9R0.79 NC(C(=O)O)C(O)C(Cl)Cl Amb27837948 [0,0,0,0,0,0|3,0,1]=4 92 B9R0.79 NC(C(=O)O)C(O)C(F)F Amb19148422 [0,0,0,0,0,0|3,0,1]=4 93 B9R0.79 N[C@@H](C(=O)O)C(F)C(=O)O Amb27494927 [0,0,0,0,0,0|2,0,0]=2 94 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O Amb17942870 [0,0,0,0,0,0|1,0,0]=1 95 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(Cl)Cl Amb27792191 [0,0,0,0,0,0|3,0,1]=4 96 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27470435 [0,0,0,0,0,0|1,0,0]=1 97 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(F)F Amb25940794 [0,0,0,0,0,0|3,0,1]=4 98 B9R0.79 N[C@H](C(=O)O)C(F)C(=O)O Amb27796116 [0,0,0,0,0,0|2,0,0]=2 99 B9R0.79 N[C@H](C(=O)O)[C@@H](F)C(=O)O Amb27865514 [0,0,0,0,0,0|2,0,0]=2 100 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O Amb10072362 [0,0,0,0,0,0|2,0,0]=2 101 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24087715 [0,0,0,0,0,0|1,0,0]=1 102 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24117974 [0,0,0,0,0,0|1,0,0]=1 103 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(F)F Amb26336091 [0,0,0,0,0,0|3,0,1]=4 104 B9R0.79 N[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27796563 [0,0,0,0,0,0|2,0,0]=2 105 B9R0.79 N[C@H](C(=O)O)[C@H](F)C(=O)O Amb26945975 [0,0,0,0,0,0|2,0,0]=2 106 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O Amb27173533 [0,0,0,0,0,0|2,0,0]=2 107 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb17615140 [0,0,0,0,0,0|1,0,0]=1 108 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb33714683 [0,0,0,0,0,0|1,0,0]=1 109 B9R0.79 O=C(O)C(=O)C(O)=C(O)O Amb26515642 [0,0,0,0,0,0|0,0,4]=4 110 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O Amb2686761 [0,0,0,0,0,0|2,0,0]=2 111 B9R0.79 O=C(O)C(Cl)C(Cl)C(=O)O Amb26345874 [0,0,0,0,0,0|2,0,0]=2 112 B9R0.79 O=C(O)C(F)C(Cl)C(=O)O Amb27875188 [0,0,0,0,0,0|2,0,0]=2 113 B9R0.79 O=C(O)C(O)C(Cl)C(=O)O Amb17594225 [0,0,0,0,0,0|1,0,0]=1 114 B9R0.79 O=C(O)C(O)C(F)C(=O)O Amb24479232 [0,0,0,0,0,0|1,0,0]=1 115 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb24668916 [0,0,0,0,0,0|0,0,0]=0 116 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb6608787 [0,0,0,0,0,0|0,0,0]=0 117 B9R0.79 O=C(O)C(O)C(O)C(=O)S Amb28050895 [0,0,0,0,0,0|0,1,0]=1 118 B9R0.79 O=C(O)C(S)C(S)C(=O)O Amb8627761 [0,0,0,0,0,0|0,2,0]=2 119 B9R0.79 O=C(O)[C@@H](Cl)[C@H](O)C(=O)O Amb27845392 [0,0,0,0,0,0|1,0,0]=1 120 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O Amb22230832 [0,0,0,0,0,0|0,0,0]=0 121 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb17616192 [0,0,0,0,0,0|0,0,0]=0 122 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb19884028 [0,0,0,0,0,0|0,0,0]=0 123 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22750609 [0,0,0,0,0,0|0,0,0]=0 124 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22756774 [0,0,0,0,0,0|0,0,0]=0 125 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb34915014 [0,0,0,0,0,0|0,0,0]=0 126 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb5722339 [0,0,0,0,0,0|0,0,0]=0 127 B9R0.79 O=C(O)[C@@H](S)[C@H](S)C(=O)O Amb28195042 [0,0,0,0,0,0|0,2,0]=2 128 B9R0.79 O=C(O)[C@H](Br)[C@H](F)C(=O)O Amb28050029 [0,0,0,0,0,0|2,0,0]=2 129 B9R0.79 O=C(O)[C@H](F)[C@H](F)C(=O)O Amb28365940 [0,0,0,0,0,0|2,0,0]=2 130 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb19884026 [0,0,0,0,0,0|0,0,0]=0 131 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20240604 [0,0,0,0,0,0|0,0,0]=0 132 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20670711 [0,0,0,0,0,0|0,0,0]=0 133 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb34915016 [0,0,0,0,0,0|0,0,0]=0 134 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb8628435 [0,0,0,0,0,0|0,0,0]=0 135 B9R0.79 O=C(O)[C@H](O)[C@H](Br)C(=O)O Amb28252354 [0,0,0,0,0,0|1,0,0]=1 136 B9R0.79 O=C(O)[C@H](O)[C@H](Cl)C(=O)O Amb27477747 [0,0,0,0,0,0|1,0,0]=1 137 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Amb8393135 [0,0,0,0,0,0|0,2,0]=2 138 B9R0.79 O=C(O)\C(Br)=C(/Br)C(=O)O Amb27465194 [0,0,0,0,0,0|2,0,2]=4 139 B9R0.79 O=C(O)\C(Br)=C(\Br)C(=O)O Amb22347940 [0,0,0,0,0,0|2,0,2]=4 140 B9R0.79 O=C(O)\C(O)=C(/O)C(=O)O Amb18511532 [0,0,0,0,0,0|0,0,2]=2 141 B9R0.79 O=C(O)\C(O)=C(/O)C(=O)O Amb33802774 [0,0,0,0,0,0|0,0,2]=2 142 B9R0.79 O=C(O)\C(O)=C(\O)C(=O)O Amb17593679 [0,0,0,0,0,0|0,0,2]=2 143 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb20246422 [0,0,0,0,0,0|0,0,1]=1 144 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb8517447 [0,0,0,0,0,0|0,0,1]=1 145 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] Amb19959974 [0,0,0,0,0,0|0,0,2]=2 146 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] Amb8514450 [0,0,0,0,0,0|0,0,2]=2 147 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)[O-] Amb32414666 [0,0,0,0,0,0|0,0,2]=2 148 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O Amb34915846 [0,0,0,0,0,0|0,0,1]=1 149 B9R0.79 OC(O)C(O)C(O)C(O)O Amb28292815 [0,0,0,0,0,0|0,0,4]=4 150 B8R0.2 C#C[C@H](C)[C@@H](O)C(=O)O Amb27777980 [1,0,0,0,0,0|2,0,1]=4 151 B8R0.2 C=CC(C)C(C)C(=O)O Amb18642611 [1,0,0,0,0,0|3,0,0]=4 152 B8R0.2 C=CC(C)C(N)C(=O)O Amb18989861 [1,0,0,0,0,0|3,0,0]=4 153 B8R0.2 C=CC(C)C(O)C(=O)O Amb18642750 [1,0,0,0,0,0|2,0,0]=3 154 B8R0.2 C=CC(C)[C@@H](N)C(=O)O Amb25889532 [1,0,0,0,0,0|3,0,0]=4 155 B8R0.2 C=CC(C)[C@H](N)C(=O)O Amb27761345 [1,0,0,0,0,0|3,0,0]=4 156 B8R0.2 C=CC(N)C(C)C(=O)O Amb33036213 [1,0,0,0,0,0|3,0,0]=4 157 B8R0.2 C=CC(O)C(C)C(=O)O Amb18642774 [1,0,0,0,0,0|2,0,0]=3 158 B8R0.2 C=CC(O)C(N)C(=O)O Amb18642830 [1,0,0,0,0,0|2,0,0]=3 159 B8R0.2 C=CC(O)[C@H](N)C(=O)O Amb28429839 [1,0,0,0,0,0|2,0,0]=3 160 B8R0.2 C=C[C@@H](C)[C@H](N)C(=O)O Amb28129785 [1,0,0,0,0,0|3,0,0]=4 161 B8R0.2 C=C[C@@H](C)[C@H](O)C(=O)O Amb27788648 [1,0,0,0,0,0|2,0,0]=3 162 B8R0.2 C=C[C@H](C)[C@@H](N)C(=O)O Amb28067623 [1,0,0,0,0,0|3,0,0]=4 163 B8R0.2 C=C[C@H](C)[C@H](Cl)C(=O)O Amb27601824 [1,0,0,0,0,0|3,0,0]=4 164 B8R0.2 C=C[C@H](C)[C@H](F)C(=O)O Amb28285951 [1,0,0,0,0,0|3,0,0]=4 165 B8R0.2 C=C[C@H](O)[C@@H](C)C(=O)O Amb28422977 [1,0,0,0,0,0|2,0,0]=3 166 B8R0.2 C=C[C@H](O)[C@@H](N)C(=O)O Amb27236340 [1,0,0,0,0,0|2,0,0]=3 167 B8R0.2 C=C[C@H](O)[C@H](C)C(=O)O Amb28285106 [1,0,0,0,0,0|2,0,0]=3 168 B8R0.2 CC(=O)C(C)C(C)C=O Amb27643957 [1,0,0,0,0,0|3,0,0]=4 169 B8R0.2 CC(=O)C(O)C(O)CO Amb26636819 [1,0,0,0,0,0|1,0,1]=3 170 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO Amb26654815 [1,0,0,0,0,0|1,0,1]=3 171 B8R0.2 CC(=O)[C@H](O)[C@@H](O)CO Amb28201025 [1,0,0,0,0,0|1,0,1]=3 172 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO Amb24477828 [1,0,0,0,0,0|1,0,1]=3 173 B8R0.2 CC(C(=O)O)N(C)C=O Amb18284942 [1,0,0,0,0,0|3,0,0]=4 174 B8R0.2 CC(CN)C(O)C(=O)O Amb18642919 [1,0,0,0,0,0|2,0,1]=4 175 B8R0.2 CC(CO)C(C)C(=O)O Amb27255789 [1,0,0,0,0,0|2,0,1]=4 176 B8R0.2 CC(CO)C(N)C(=O)O Amb27629815 [1,0,0,0,0,0|2,0,1]=4 177 B8R0.2 CC(CO)[C@@H](N)C(=O)O Amb33308939 [1,0,0,0,0,0|2,0,1]=4 178 B8R0.2 CC(CO)[C@H](N)C(=O)O Amb25918803 [1,0,0,0,0,0|2,0,1]=4 179 B8R0.2 CC(NO)C(C)C(=O)O Amb27185439 [1,0,0,0,0,0|3,0,0]=4 180 B8R0.2 CC(O)C(O)C(O)C=O Amb24711583 [1,0,0,0,0,0|1,0,1]=3 181 B8R0.2 CC(O)[C@H](O)[C@@H](O)CO Amb28049155 [1,0,0,0,0,0|1,0,2]=4 182 B8R0.2 CCC(C)C(O)C(=O)O Amb18288809 [1,0,0,0,0,0|2,0,1]=4 183 B8R0.2 CCC(O)C(C)C(=O)O Amb10844267 [1,0,0,0,0,0|2,0,1]=4 184 B8R0.2 CCC(O)C(F)C(=O)O Amb33136388 [1,0,0,0,0,0|2,0,1]=4 185 B8R0.2 CCC(O)C(N)C(=O)O Amb18203168 [1,0,0,0,0,0|2,0,1]=4 186 B8R0.2 CCC(O)[C@H](N)C(=O)O Amb24364655 [1,0,0,0,0,0|2,0,1]=4 187 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O Amb26063750 [1,0,0,0,0,0|2,0,1]=4 188 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Amb27879857 [1,0,0,0,0,0|2,0,1]=4 189 B8R0.2 CC[C@@H](O)[C@H](O)C(C)=O Amb27861441 [1,0,0,0,0,0|2,0,1]=4 190 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O Amb2694797 [1,0,0,0,0,0|2,0,1]=4 191 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O Amb26981388 [1,0,0,0,0,0|2,0,1]=4 192 B8R0.2 CC[C@H](O)[C@H](Br)C(=O)O Amb28285137 [1,0,0,0,0,0|2,0,1]=4 193 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O Amb26024594 [1,0,0,0,0,0|2,0,1]=4 194 B8R0.2 COC(C)C(O)C(=O)O Amb27816478 [1,0,0,0,0,0|3,0,0]=4 195 B8R0.2 CO[C@H](C)[C@H](O)C(=O)O Amb25316180 [1,0,0,0,0,0|3,0,0]=4 196 B8R0.2 C[C@@H](CO)[C@@H](N)C(=O)O Amb24117487 [1,0,0,0,0,0|2,0,1]=4 197 B8R0.2 C[C@@H](CO)[C@@H](N)C(=O)O Amb27828649 [1,0,0,0,0,0|2,0,1]=4 198 B8R0.2 C[C@@H](CO)[C@H](N)C(=O)O Amb24117488 [1,0,0,0,0,0|2,0,1]=4 199 B8R0.2 C[C@@H](O)[C@@H](O)[C@H](O)C=O Amb22229972 [1,0,0,0,0,0|1,0,1]=3 200 B8R0.2 C[C@H](C(=O)O)[C@@H](O)CN Amb28056248 [1,0,0,0,0,0|2,0,1]=4 201 B8R0.2 C[C@H](CN)[C@@H](O)C(=O)O Amb27455474 [1,0,0,0,0,0|2,0,1]=4 202 B8R0.2 C[C@H](O)[C@@H](O)[C@H](O)C=O Amb28285149 [1,0,0,0,0,0|1,0,1]=3 203 B8R0.2 C[C@H](O)[C@@H](O)[C@H](O)CO Amb27946934 [1,0,0,0,0,0|1,0,2]=4 204 B8R0.2 C[C@H](O)[C@H](O)[C@@H](O)C=O Amb22229973 [1,0,0,0,0,0|1,0,1]=3 205 B8R0.2 C[C@H](O)[C@H](O)[C@H](O)C=O Amb26490972 [1,0,0,0,0,0|1,0,1]=3 206 B8R0.2 C[C@H](O)[C@H](O)[C@H](O)CO Amb28207141 [1,0,0,0,0,0|1,0,2]=4 207 B8R0.2 C\C=C(\Br)C(O)C(=O)O Amb27657537 [1,0,0,0,0,0|2,0,1]=4 208 B8R0.2 NC(=O)[C@@H](F)[C@@H](O)CO Amb27668286 [1,0,0,0,0,0|2,0,1]=4 209 B8R0.2 NC(=O)[C@H](O)[C@@H](O)CO Amb27814631 [1,0,0,0,0,0|1,0,1]=3 210 B8R0.2 NC(C(=O)O)C(F)CO Amb27950986 [1,0,0,0,0,0|2,0,1]=4 211 B8R0.2 NC(C(=O)O)C(O)CCl Amb27846402 [1,0,0,0,0,0|2,0,1]=4 212 B8R0.2 NC(C(=O)O)C(O)CF Amb27592597 [1,0,0,0,0,0|2,0,1]=4 213 B8R0.2 NC(C(=O)O)C(S)CO Amb27199680 [1,0,0,0,0,0|1,1,1]=4 214 B8R0.2 NC(CO)C(N)C(=O)O Amb28208230 [1,0,0,0,0,0|2,0,1]=4 215 B8R0.2 NCC(O)C(N)C(=O)O Amb27876292 [1,0,0,0,0,0|2,0,1]=4 216 B8R0.2 NCC(O)C(O)C(=O)O Amb27830532 [1,0,0,0,0,0|1,0,1]=3 217 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Amb27945588 [1,0,0,0,0,0|1,0,1]=3 218 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Amb33209939 [1,0,0,0,0,0|1,0,1]=3 219 B8R0.2 NC[C@@H](O)[C@H](N)C(=O)O Amb30884414 [1,0,0,0,0,0|2,0,1]=4 220 B8R0.2 N[C@@H](C(=O)O)C(O)CBr Amb28245344 [1,0,0,0,0,0|2,0,1]=4 221 B8R0.2 N[C@@H](C(=O)O)C(S)CO Amb27233478 [1,0,0,0,0,0|1,1,1]=4 222 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO Amb24671346 [1,0,0,0,0,0|1,0,1]=3 223 B8R0.2 N[C@H](C(=O)O)C(O)CCl Amb27212707 [1,0,0,0,0,0|2,0,1]=4 224 B8R0.2 N[C@H](C(=O)O)C(O)CO Amb28255690 [1,0,0,0,0,0|1,0,1]=3 225 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO Amb25678241 [1,0,0,0,0,0|1,0,1]=3 226 B8R0.2 O=C(O)C(=O)C(O)CO Amb27408895 [1,0,0,0,0,0|0,0,3]=4 227 B8R0.2 O=C(O)C(O)C(O)CO Amb22495524 [1,0,0,0,0,0|0,0,1]=2 228 B8R0.2 O=C(O)C(O)\C(Cl)=C/Cl Amb28282747 [1,0,0,0,0,0|2,0,1]=4 229 B8R0.2 O=C(O)C(O)\C(Cl)=C\Cl Amb27439350 [1,0,0,0,0,0|2,0,1]=4 230 B8R0.2 O=C(O)[C@@H](F)[C@H](O)CO Amb27195151 [1,0,0,0,0,0|1,0,1]=3 231 B8R0.2 O=C(O)[C@H](O)C(O)CO Amb27229496 [1,0,0,0,0,0|0,0,1]=2 232 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO Amb27849401 [1,0,0,0,0,0|0,0,1]=2 233 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO Amb32644462 [1,0,0,0,0,0|0,0,1]=2 234 B8R0.2 O=C([O-])C(O)C(O)CO Amb22733096 [1,0,0,0,0,0|0,0,2]=3 235 B8R0.2 O=C([O-])[C@@H](O)[C@H](O)CO Amb22744783 [1,0,0,0,0,0|0,0,2]=3 236 B8R0.2 O=C([O-])[C@@H](O)[C@H](O)CO Amb32414707 [1,0,0,0,0,0|0,0,2]=3 237 B8R0.2 O=CC(O)C(O)C(=O)O Amb18124399 [1,0,0,0,0,0|0,0,0]=1 238 B8R0.2 O=C[C@H](O)[C@H](O)C(=O)O Amb27266059 [1,0,0,0,0,0|0,0,0]=1 239 B8R0.2 O=C\C(Cl)=C(/O)C(=O)O Amb28384527 [1,0,0,0,0,0|1,0,2]=4 240 B8R0.23 BC(CC(=O)O)C(=O)O Amb28287358 [1,0,0,0,0,0|1,0,0]=2 241 B8R0.23 C=C(Br)CC(N)C(=O)O Amb24557771 [1,0,0,0,0,0|3,0,0]=4 242 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O Amb22746251 [1,0,0,0,0,0|3,0,0]=4 243 B8R0.23 C=C(Br)C[C@H](N)C(=O)O Amb25918807 [1,0,0,0,0,0|3,0,0]=4 244 B8R0.23 C=C(Br)[C@@H](O)CC(=O)O Amb27392180 [1,0,0,0,0,0|2,0,0]=3 245 B8R0.23 C=C(C)C(C)CC(=O)O Amb18642614 [1,0,0,0,0,0|3,0,0]=4 246 B8R0.23 C=C(C)C(N)CC(=O)O Amb2697570 [1,0,0,0,0,0|3,0,0]=4 247 B8R0.23 C=C(C)C(O)CC(=O)O Amb18642756 [1,0,0,0,0,0|2,0,0]=3 248 B8R0.23 C=C(C)C(O)CC(C)=O Amb27605750 [1,0,0,0,0,0|3,0,0]=4 249 B8R0.23 C=C(C)CC(C)C(=O)O Amb24471924 [1,0,0,0,0,0|3,0,0]=4 250 B8R0.23 C=C(C)CC(N)C(=O)O Amb6280366 [1,0,0,0,0,0|3,0,0]=4 251 B8R0.23 C=C(C)CC(O)C(=O)O Amb24534477 [1,0,0,0,0,0|2,0,0]=3 252 B8R0.23 C=C(C)C[C@@H](C)C(=O)O Amb24340253 [1,0,0,0,0,0|3,0,0]=4 253 B8R0.23 C=C(C)C[C@@H](N)C(=O)O Amb22801689 [1,0,0,0,0,0|3,0,0]=4 254 B8R0.23 C=C(C)C[C@H](C)C(=O)O Amb10843988 [1,0,0,0,0,0|3,0,0]=4 255 B8R0.23 C=C(C)C[C@H](N)C(=O)O Amb25757900 [1,0,0,0,0,0|3,0,0]=4 256 B8R0.23 C=C(C)[C@@H](O)CC(=O)O Amb25789715 [1,0,0,0,0,0|2,0,0]=3 257 B8R0.23 C=C(C)[C@@H](O)CC(C)=O Amb26477424 [1,0,0,0,0,0|3,0,0]=4 258 B8R0.23 C=C(C)[C@H](C)CC(=O)O Amb27447241 [1,0,0,0,0,0|3,0,0]=4 259 B8R0.23 C=C(C)[C@H](O)CC(=O)O Amb28286173 [1,0,0,0,0,0|2,0,0]=3 260 B8R0.23 C=C(C)[C@H](O)CC(C)=O Amb27409964 [1,0,0,0,0,0|3,0,0]=4 261 B8R0.23 C=C(CC(=O)O)C(=O)O Amb6608656 [1,0,0,0,0,0|1,0,1]=3 262 B8R0.23 C=C(CC(=O)O)C(C)=O Amb27831643 [1,0,0,0,0,0|2,0,1]=4 263 B8R0.23 C=C(CC(=O)O)C(N)=O Amb22011744 [1,0,0,0,0,0|2,0,1]=4 264 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb24411473 [1,0,0,0,0,0|3,0,0]=4 265 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb28935021 [1,0,0,0,0,0|3,0,0]=4 266 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660529 [1,0,0,0,0,0|3,0,0]=4 267 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660530 [1,0,0,0,0,0|3,0,0]=4 268 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb28059492 [1,0,0,0,0,0|3,0,0]=4 269 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb32656263 [1,0,0,0,0,0|3,0,0]=4 270 B8R0.23 C=C(F)CC(C)C(=O)O Amb27975781 [1,0,0,0,0,0|3,0,0]=4 271 B8R0.23 C=C(F)CC(Cl)C(=O)O Amb27876022 [1,0,0,0,0,0|3,0,0]=4 272 B8R0.23 C=C(F)C[C@@H](N)C(=O)O Amb27771842 [1,0,0,0,0,0|3,0,0]=4 273 B8R0.23 C=C(O)CC(O)C(O)O Amb24730260 [1,0,0,0,0,0|1,0,2]=4 274 B8R0.23 CC(=O)C(=O)CC(=O)O Amb17593364 [1,0,0,0,0,0|1,0,2]=4 275 B8R0.23 CC(=O)C(Br)CC(=O)O Amb27834306 [1,0,0,0,0,0|2,0,0]=3 276 B8R0.23 CC(=O)C(C)CC(=O)O Amb18292788 [1,0,0,0,0,0|2,0,0]=3 277 B8R0.23 CC(=O)C(N)CC(=O)O Amb2697582 [1,0,0,0,0,0|2,0,0]=3 278 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [1,0,0,0,0,0|3,0,0]=4 279 B8R0.23 CC(=O)C(O)CC(=O)O Amb25341886 [1,0,0,0,0,0|1,0,0]=2 280 B8R0.23 CC(=O)CC(=O)C(=O)O Amb18642736 [1,0,0,0,0,0|1,0,2]=4 281 B8R0.23 CC(=O)CC(C)C(=O)O Amb3939893 [1,0,0,0,0,0|2,0,0]=3 282 B8R0.23 CC(=O)CC(C)C(C)=O Amb26490545 [1,0,0,0,0,0|3,0,0]=4 283 B8R0.23 CC(=O)CC(N)C(=O)O Amb18832532 [1,0,0,0,0,0|2,0,0]=3 284 B8R0.23 CC(=O)CC(N)C(=O)O Amb22546289 [1,0,0,0,0,0|2,0,0]=3 285 B8R0.23 CC(=O)CC(N)C(N)=O Amb27485103 [1,0,0,0,0,0|3,0,0]=4 286 B8R0.23 CC(=O)CC(O)C(=O)O Amb22500917 [1,0,0,0,0,0|1,0,0]=2 287 B8R0.23 CC(=O)C[C@@H](N)C(=O)O Amb22745939 [1,0,0,0,0,0|2,0,0]=3 288 B8R0.23 CC(=O)C[C@@H](O)C(=O)O Amb26845481 [1,0,0,0,0,0|1,0,0]=2 289 B8R0.23 CC(=O)C[C@H](C)C(=O)O Amb26318005 [1,0,0,0,0,0|2,0,0]=3 290 B8R0.23 CC(=O)C[C@H](C)C(C)=O Amb28051038 [1,0,0,0,0,0|3,0,0]=4 291 B8R0.23 CC(=O)C[C@H](N)C(=O)O Amb27832342 [1,0,0,0,0,0|2,0,0]=3 292 B8R0.23 CC(=O)C[C@H](O)C(=O)O Amb24358758 [1,0,0,0,0,0|1,0,0]=2 293 B8R0.23 CC(=O)N(C)CC(=O)O Amb33526797 [1,0,0,0,0,0|3,0,0]=4 294 B8R0.23 CC(=O)N(Cl)CC(=O)O Amb28366945 [1,0,0,0,0,0|3,0,0]=4 295 B8R0.23 CC(=O)NC(C)C(=O)O Amb9745652 [1,0,0,0,0,0|3,0,0]=4 296 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Amb8390375 [1,0,0,0,0,0|3,0,0]=4 297 B8R0.23 CC(=O)N[C@H](C)C(=O)O Amb19944277 [1,0,0,0,0,0|3,0,0]=4 298 B8R0.23 CC(=O)OC(C)C(=O)O Amb22360672 [1,0,0,0,0,0|3,0,0]=4 299 B8R0.23 CC(=O)O[C@@H](C)C(=O)O Amb3938984 [1,0,0,0,0,0|3,0,0]=4 300 B8R0.23 CC(=O)O[C@H](C)C(=O)O Amb26458759 [1,0,0,0,0,0|3,0,0]=4 301 B8R0.23 CC(=O)S[C@@H](C)C(=O)O Amb26639910 [1,0,0,0,0,0|3,0,0]=4 302 B8R0.23 CC(=O)S[C@H](C)C(=O)O Amb28118658 [1,0,0,0,0,0|3,0,0]=4 303 B8R0.23 CC(=O)[C@@H](N)CC(N)=O Amb28044564 [1,0,0,0,0,0|3,0,0]=4 304 B8R0.23 CC(=O)[C@@H](O)CC(=O)O Amb28398474 [1,0,0,0,0,0|1,0,0]=2 305 B8R0.23 CC(=O)[C@H](C)CC(=O)O Amb25360184 [1,0,0,0,0,0|2,0,0]=3 306 B8R0.23 CC(=O)\C=C(/O)C(=O)O Amb28122229 [1,0,0,0,0,0|1,0,2]=4 307 B8R0.23 CC(=O)\C=C(\O)C(=O)O Amb25856143 [1,0,0,0,0,0|1,0,2]=4 308 B8R0.23 CC(C)=CC(O)C(=O)O Amb28346343 [1,0,0,0,0,0|2,0,1]=4 309 B8R0.23 CC(C)=C[C@@H](O)C(=O)O Amb27228179 [1,0,0,0,0,0|2,0,1]=4 310 B8R0.23 CC(C)=C[C@H](O)C(=O)O Amb27473652 [1,0,0,0,0,0|2,0,1]=4 311 B8R0.23 CC(C)C(O)CC(=O)O Amb17231878 [1,0,0,0,0,0|2,0,1]=4 312 B8R0.23 CC(C)CC(O)C(=O)O Amb2694726 [1,0,0,0,0,0|2,0,1]=4 313 B8R0.23 CC(C)C[C@@H](O)C(=O)O Amb8630052 [1,0,0,0,0,0|2,0,1]=4 314 B8R0.23 CC(C)C[C@H](O)C(=O)O Amb16232074 [1,0,0,0,0,0|2,0,1]=4 315 B8R0.23 CC(C)[C@@H](O)CC(=O)O Amb25761246 [1,0,0,0,0,0|2,0,1]=4 316 B8R0.23 CC(C)[C@H](O)CC(=O)O Amb24561913 [1,0,0,0,0,0|2,0,1]=4 317 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [1,0,0,0,0,0|3,0,0]=4 318 B8R0.23 CC(CC(=O)O)C(=O)O Amb1935053 [1,0,0,0,0,0|1,0,0]=2 319 B8R0.23 CC(CC(=O)O)C(N)=O Amb25737942 [1,0,0,0,0,0|2,0,0]=3 320 B8R0.23 CC(CC(=O)O)N(C)O Amb27639550 [1,0,0,0,0,0|3,0,0]=4 321 B8R0.23 CC(CC(N)=O)C(=O)O Amb27596628 [1,0,0,0,0,0|2,0,0]=3 322 B8R0.23 CC(CC(N)=O)C(N)=O Amb2720769 [1,0,0,0,0,0|3,0,0]=4 323 B8R0.23 CC(CS(=O)O)C(=O)O Amb28118949 [1,0,0,0,0,0|2,0,0]=3 324 B8R0.23 CC(CS(C)=O)C(=O)O Amb18974546 [1,0,0,0,0,0|3,0,0]=4 325 B8R0.23 CC(C[PH](=O)O)C(=O)O Amb27477749 [1,0,0,0,0,0|2,0,0]=3 326 B8R0.23 CC(N)C(O)CC(=O)O Amb27796214 [1,0,0,0,0,0|2,0,1]=4 327 B8R0.23 CC(N)CC(O)C(=O)O Amb27975686 [1,0,0,0,0,0|2,0,1]=4 328 B8R0.23 CC(NC(N)=O)C(=O)O Amb9745673 [1,0,0,0,0,0|3,0,0]=4 329 B8R0.23 CC(O)C(N)CC(=O)O Amb27424723 [1,0,0,0,0,0|2,0,1]=4 330 B8R0.23 CC(O)CC(N)C(=O)O Amb18642918 [1,0,0,0,0,0|2,0,1]=4 331 B8R0.23 CC(O)C[C@@H](N)C(=O)O Amb26985188 [1,0,0,0,0,0|2,0,1]=4 332 B8R0.23 CC(O)C[C@H](N)C(=O)O Amb27185464 [1,0,0,0,0,0|2,0,1]=4 333 B8R0.23 CC(OC(=O)Cl)C(=O)O Amb27241520 [1,0,0,0,0,0|3,0,0]=4 334 B8R0.23 CN(C)CC(O)C(=O)O Amb27856754 [1,0,0,0,0,0|3,0,0]=4 335 B8R0.23 CN(C)C[C@H](O)C(=O)O Amb24372674 [1,0,0,0,0,0|3,0,0]=4 336 B8R0.23 CN(CC(=O)O)C(=O)Cl Amb27484119 [1,0,0,0,0,0|3,0,0]=4 337 B8R0.23 CN(CC(=O)O)C(N)=O Amb2371395 [1,0,0,0,0,0|3,0,0]=4 338 B8R0.23 CS(=O)CC(N)C(=O)O Amb18125279 [1,0,0,0,0,0|3,0,0]=4 339 B8R0.23 CS(=O)C[C@@H](N)C(=O)O Amb22745418 [1,0,0,0,0,0|3,0,0]=4 340 B8R0.23 CS(=O)C[C@H](N)C(=O)O Amb16232229 [1,0,0,0,0,0|3,0,0]=4 341 B8R0.23 C[C@@H](CC(=O)O)C(=O)O Amb22226742 [1,0,0,0,0,0|1,0,0]=2 342 B8R0.23 C[C@@H](NC(N)=O)C(=O)O Amb27242972 [1,0,0,0,0,0|3,0,0]=4 343 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O Amb27254158 [1,0,0,0,0,0|2,0,1]=4 344 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Amb22168848 [1,0,0,0,0,0|2,0,1]=4 345 B8R0.23 C[C@@H](OC(N)=O)C(=O)O Amb35655773 [1,0,0,0,0,0|3,0,0]=4 346 B8R0.23 C[C@H](CC(=O)O)C(=O)O Amb22225399 [1,0,0,0,0,0|1,0,0]=2 347 B8R0.23 C[C@H](CC(=O)O)C(N)=O Amb28133461 [1,0,0,0,0,0|2,0,0]=3 348 B8R0.23 C[C@H](CC(=O)O)S(C)=O Amb27410588 [1,0,0,0,0,0|3,0,0]=4 349 B8R0.23 C[C@H](N)C(O)CC(=O)O Amb27622153 [1,0,0,0,0,0|2,0,1]=4 350 B8R0.23 C[C@H](N)C[C@@H](O)C(=O)O Amb27231129 [1,0,0,0,0,0|2,0,1]=4 351 B8R0.23 C[C@H](N)C[C@H](O)C(=O)O Amb27180466 [1,0,0,0,0,0|2,0,1]=4 352 B8R0.23 C[C@H](N)[C@H](O)CC(=O)O Amb27975677 [1,0,0,0,0,0|2,0,1]=4 353 B8R0.23 C[C@H](NC(N)=O)C(=O)O Amb545023 [1,0,0,0,0,0|3,0,0]=4 354 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O Amb16184021 [1,0,0,0,0,0|2,0,1]=4 355 B8R0.23 C[S@@](=O)C[C@H](N)C(=O)O Amb35789128 [1,0,0,0,0,0|3,0,0]=4 356 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb33756818 [1,0,0,0,0,0|3,0,0]=4 357 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb35788678 [1,0,0,0,0,0|3,0,0]=4 358 B8R0.23 C\C(=C/C(=O)O)C(=O)O Amb9703112 [1,0,0,0,0,0|1,0,2]=4 359 B8R0.23 C\C(=C\C(=O)O)C(=O)O Amb8391132 [1,0,0,0,0,0|1,0,2]=4 360 B8R0.23 NC(=O)C(N)CC(=O)O Amb18124347 [1,0,0,0,0,0|2,0,0]=3 361 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666212 [1,0,0,0,0,0|2,0,0]=3 362 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666239 [1,0,0,0,0,0|2,0,0]=3 363 B8R0.23 NC(=O)C(O)CC(=O)[O-] Amb33068981 [1,0,0,0,0,0|1,0,1]=3 364 B8R0.23 NC(=O)CC(Br)C(=O)O Amb26012685 [1,0,0,0,0,0|2,0,0]=3 365 B8R0.23 NC(=O)CC(Cl)C(=O)O Amb27478086 [1,0,0,0,0,0|2,0,0]=3 366 B8R0.23 NC(=O)CC(N)C(=O)O Amb2725509 [1,0,0,0,0,0|2,0,0]=3 367 B8R0.23 NC(=O)CC(N)C(=O)O Amb3940878 [1,0,0,0,0,0|2,0,0]=3 368 B8R0.23 NC(=O)CC(N)C(N)=O Amb18289248 [1,0,0,0,0,0|3,0,0]=4 369 B8R0.23 NC(=O)CC(O)C(=O)O Amb27807542 [1,0,0,0,0,0|1,0,0]=2 370 B8R0.23 NC(=O)CC(O)C(N)=O Amb27961515 [1,0,0,0,0,0|2,0,0]=3 371 B8R0.23 NC(=O)CC(S)C(=O)O Amb27494183 [1,0,0,0,0,0|1,1,0]=3 372 B8R0.23 NC(=O)C[C@@H](Br)C(=O)O Amb27858620 [1,0,0,0,0,0|2,0,0]=3 373 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb10071271 [1,0,0,0,0,0|2,0,0]=3 374 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb17749060 [1,0,0,0,0,0|2,0,0]=3 375 B8R0.23 NC(=O)C[C@@H](N)C(N)=O Amb28423711 [1,0,0,0,0,0|3,0,0]=4 376 B8R0.23 NC(=O)C[C@@H](O)C(=O)O Amb24681022 [1,0,0,0,0,0|1,0,0]=2 377 B8R0.23 NC(=O)C[C@@H](O)C(N)=O Amb27258074 [1,0,0,0,0,0|2,0,0]=3 378 B8R0.23 NC(=O)C[C@@H](S)C(=O)O Amb27234637 [1,0,0,0,0,0|1,1,0]=3 379 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb3940760 [1,0,0,0,0,0|2,0,0]=3 380 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb8513755 [1,0,0,0,0,0|2,0,0]=3 381 B8R0.23 NC(=O)C[C@H](N)C(N)=O Amb16183882 [1,0,0,0,0,0|3,0,0]=4 382 B8R0.23 NC(=O)C[C@H](S)C(=O)O Amb27253643 [1,0,0,0,0,0|1,1,0]=3 383 B8R0.23 NC(=O)N(N)CC(=O)O Amb6296397 [1,0,0,0,0,0|3,0,0]=4 384 B8R0.23 NC(=O)NC(O)C(=O)O Amb24592607 [1,0,0,0,0,0|2,0,0]=3 385 B8R0.23 NC(=O)N[C@@H](O)C(=O)O Amb28287313 [1,0,0,0,0,0|2,0,0]=3 386 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb19334954 [1,0,0,0,0,0|2,0,0]=3 387 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb31291739 [1,0,0,0,0,0|2,0,0]=3 388 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb32652393 [1,0,0,0,0,0|2,0,0]=3 389 B8R0.23 NC(=O)[C@H](N)CC(=O)O Amb27768775 [1,0,0,0,0,0|2,0,0]=3 390 B8R0.23 NC(=S)C[C@H](N)C(=O)O Amb28410343 [1,0,0,0,0,0|2,1,0]=4 391 B8R0.23 NC(CB(O)O)C(=O)O Amb28285179 [1,0,0,0,0,0|2,0,1]=4 392 B8R0.23 NC(CB(O)O)C(=O)O Amb33803309 [1,0,0,0,0,0|2,0,1]=4 393 B8R0.23 NC(CC(=O)O)C(=O)O Amb9702780 [1,0,0,0,0,0|1,0,0]=2 394 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22167994 [1,0,0,0,0,0|1,0,1]=3 395 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22337568 [1,0,0,0,0,0|1,0,1]=3 396 B8R0.23 NC(CS(=O)O)C(=O)O Amb541272 [1,0,0,0,0,0|2,0,0]=3 397 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb34163080 [1,0,0,0,0,0|1,0,0]=2 398 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb3940320 [1,0,0,0,0,0|1,0,0]=2 399 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] Amb22801032 [1,0,0,0,0,0|1,0,1]=3 400 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb20240565 [1,0,0,0,0,0|1,0,1]=3 401 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb22748769 [1,0,0,0,0,0|1,0,1]=3 402 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] Amb22757383 [1,0,0,0,0,0|1,0,2]=4 403 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb6600148 [1,0,0,0,0,0|2,0,0]=3 404 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb9809803 [1,0,0,0,0,0|2,0,0]=3 405 B8R0.23 N[C@@H](C[SH](=O)=O)C(=O)O Amb27858626 [1,0,0,0,0,0|2,0,1]=4 406 B8R0.23 N[C@H](CC(=O)O)C(=O)O Amb6599992 [1,0,0,0,0,0|1,0,0]=2 407 B8R0.23 O=C(Cl)CC(Cl)C(=O)Cl Amb28122555 [1,0,0,0,0,0|3,0,0]=4 408 B8R0.23 O=C(O)C(=O)C[PH](=O)O Amb27218009 [1,0,0,0,0,0|1,0,2]=4 409 B8R0.23 O=C(O)C(O)CC(F)F Amb25274709 [1,0,0,0,0,0|2,0,1]=4 410 B8R0.23 O=C(O)C(O)CC(O)O Amb28397948 [1,0,0,0,0,0|0,0,2]=3 411 B8R0.23 O=C(O)C(O)C[N+](=O)[O-] Amb6883775 [1,0,0,0,0,0|1,0,1]=3 412 B8R0.23 O=C(O)CC(=O)C(=O)O Amb3909986 [1,0,0,0,0,0|0,0,2]=3 413 B8R0.23 O=C(O)CC(=S)C(=O)O Amb25304511 [1,0,0,0,0,0|0,1,1]=3 414 B8R0.23 O=C(O)CC(Br)C(=O)O Amb3941503 [1,0,0,0,0,0|1,0,0]=2 415 B8R0.23 O=C(O)CC(Cl)C(=O)O Amb9825869 [1,0,0,0,0,0|1,0,0]=2 416 B8R0.23 O=C(O)CC(O)C(=O)O Amb8513238 [1,0,0,0,0,0|0,0,0]=1 417 B8R0.23 O=C(O)CC(O)C(Cl)Cl Amb27985520 [1,0,0,0,0,0|2,0,1]=4 418 B8R0.23 O=C(O)CC(S)C(=O)O Amb2779994 [1,0,0,0,0,0|0,1,0]=2 419 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O Amb22504149 [1,0,0,0,0,0|1,0,0]=2 420 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O Amb20242424 [1,0,0,0,0,0|1,0,0]=2 421 B8R0.23 O=C(O)C[C@@H](F)C(=O)O Amb27173500 [1,0,0,0,0,0|1,0,0]=2 422 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Amb4166311 [1,0,0,0,0,0|0,0,0]=1 423 B8R0.23 O=C(O)C[C@@H](O)C(F)F Amb33337779 [1,0,0,0,0,0|2,0,1]=4 424 B8R0.23 O=C(O)C[C@H](Br)C(=O)O Amb8629197 [1,0,0,0,0,0|1,0,0]=2 425 B8R0.23 O=C(O)C[C@H](Cl)C(=O)O Amb20242425 [1,0,0,0,0,0|1,0,0]=2 426 B8R0.23 O=C(O)C[C@H](F)C(=O)O Amb27167819 [1,0,0,0,0,0|1,0,0]=2 427 B8R0.23 O=C(O)C[C@H](O)C(=O)O Amb6599993 [1,0,0,0,0,0|0,0,0]=1 428 B8R0.23 O=C(O)C[C@H](O)C(F)F Amb33485299 [1,0,0,0,0,0|2,0,1]=4 429 B8R0.23 O=C(O)\C=C(/Br)C(=O)O Amb31275762 [1,0,0,0,0,0|1,0,2]=4 430 B8R0.23 O=C(O)\C=C(/Cl)C(=O)O Amb4007497 [1,0,0,0,0,0|1,0,2]=4 431 B8R0.23 O=C(O)\C=C(/F)C(=O)O Amb26860064 [1,0,0,0,0,0|1,0,2]=4 432 B8R0.23 O=C(O)\C=C(/I)C(=O)O Amb10755055 [1,0,0,0,0,0|1,0,2]=4 433 B8R0.23 O=C(O)\C=C(\Br)C(=O)O Amb25746120 [1,0,0,0,0,0|1,0,2]=4 434 B8R0.23 O=C(O)\C=C(\F)C(=O)O Amb18124397 [1,0,0,0,0,0|1,0,2]=4 435 B8R0.23 O=C([O-])CC(O)C(=O)[O-] Amb30876864 [1,0,0,0,0,0|0,0,2]=3 436 B8R0.23 O=C([O-])C[C@H](O)C(=O)[O-] Amb22351833 [1,0,0,0,0,0|0,0,2]=3 437 B10R0.56 C=C(C)C(O)C(C)C(=O)OC Amb25380221 [0,1,0,0,0,0|3,0,0]=4 438 B10R0.56 C=C(C)[C@@H](C)[C@@H](O)C(=O)OC Amb27989929 [0,1,0,0,0,0|3,0,0]=4 439 B10R0.56 C=C(C)[C@@H](O)[C@@H](C)C(=O)OC Amb27989611 [0,1,0,0,0,0|3,0,0]=4 440 B10R0.56 C=C(C)[C@H](C)[C@@H](O)C(=O)OC Amb27989589 [0,1,0,0,0,0|3,0,0]=4 441 B10R0.56 C=C(C)[C@H](O)[C@@H](C)C(=O)OC Amb27989576 [0,1,0,0,0,0|3,0,0]=4 442 B10R0.56 C=C(C)[C@H](O)[C@H](C)C(=O)OC Amb27989613 [0,1,0,0,0,0|3,0,0]=4 443 B10R0.56 CC(=O)[C@@H](O)[C@@H](O)C(=O)CO Amb27672418 [0,1,0,0,0,0|1,0,0]=2 444 B10R0.56 CC(=O)[C@@H](O)[C@@H](O)[C@@H](O)CO Amb27269944 [0,1,0,0,0,0|1,0,2]=4 445 B10R0.56 CC(=O)[C@@H](O)[C@@H](O)[C@H](O)CO Amb27269939 [0,1,0,0,0,0|1,0,2]=4 446 B10R0.56 CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO Amb24766926 [0,1,0,0,0,0|1,0,2]=4 447 B10R0.56 CC(=O)[C@H](O)[C@@H](O)[C@@H](O)CO Amb27672276 [0,1,0,0,0,0|1,0,2]=4 448 B10R0.56 CC(=O)[C@H](O)[C@@H](O)[C@H](O)CO Amb27269945 [0,1,0,0,0,0|1,0,2]=4 449 B10R0.56 CC(=O)[C@H](O)[C@H](O)[C@H](O)CO Amb27672263 [0,1,0,0,0,0|1,0,2]=4 450 B10R0.56 CC(C(=O)O)N(O)C(=O)CN Amb27990216 [0,1,0,0,0,0|3,0,0]=4 451 B10R0.56 CC(C)[C@@H](O)[C@@H](O)C(=O)CO Amb27672356 [0,1,0,0,0,0|2,0,1]=4 452 B10R0.56 CC(C)[C@@H](O)[C@H](O)C(=O)CO Amb27672355 [0,1,0,0,0,0|2,0,1]=4 453 B10R0.56 CC(O)C(O)C(O)C(=O)CO Amb25384023 [0,1,0,0,0,0|1,0,1]=3 454 B10R0.56 CC(O)C(O)C(O)C(=O)NO Amb27405176 [0,1,0,0,0,0|1,0,1]=3 455 B10R0.56 CC(O)C(O)C(O)C(O)C=O Amb32753055 [0,1,0,0,0,0|1,0,2]=4 456 B10R0.56 CC(O)C(O)C(O)C(O)C=O Amb3499409 [0,1,0,0,0,0|1,0,2]=4 457 B10R0.56 CCC(=O)[C@@H](C)[C@H](N)C(=O)O Amb27990250 [0,1,0,0,0,0|3,0,0]=4 458 B10R0.56 CCC(=O)[C@H](C)[C@H](N)C(=O)O Amb27990251 [0,1,0,0,0,0|3,0,0]=4 459 B10R0.56 CNC(=O)C(O)C(O)C(=O)O Amb27176596 [0,1,0,0,0,0|1,0,0]=2 460 B10R0.56 CNC(=O)[C@H](O)[C@@H](O)C(=O)O Amb27617308 [0,1,0,0,0,0|1,0,0]=2 461 B10R0.56 COC(=O)C(C)C(C)C(C)=O Amb27672526 [0,1,0,0,0,0|3,0,0]=4 462 B10R0.56 COC(=O)C(F)C(N)C(=O)O Amb27671674 [0,1,0,0,0,0|2,0,0]=3 463 B10R0.56 COC(=O)C(F)[C@H](N)C(=O)O Amb26083722 [0,1,0,0,0,0|2,0,0]=3 464 B10R0.56 COC(=O)C(N)C(C)C(=O)O Amb27673475 [0,1,0,0,0,0|2,0,0]=3 465 B10R0.56 COC(=O)C(O)C(C)C(C)=O Amb27673836 [0,1,0,0,0,0|2,0,0]=3 466 B10R0.56 COC(=O)C(O)C(N)C(=O)O Amb18645752 [0,1,0,0,0,0|1,0,0]=2 467 B10R0.56 COC(=O)C(O)C(O)C(=O)O Amb25384902 [0,1,0,0,0,0|0,0,0]=1 468 B10R0.56 COC(=O)N(C)C(C)C(=O)O Amb18299738 [0,1,0,0,0,0|3,0,0]=4 469 B10R0.56 COC(=O)N(C)[C@@H](C)C(=O)O Amb26659556 [0,1,0,0,0,0|3,0,0]=4 470 B10R0.56 COC(=O)N(C)[C@H](C)C(=O)O Amb33726089 [0,1,0,0,0,0|3,0,0]=4 471 B10R0.56 COC(=O)[C@@H](C)[C@@H](C)C(C)=O Amb27672272 [0,1,0,0,0,0|3,0,0]=4 472 B10R0.56 COC(=O)[C@@H](C)[C@H](C)C(=O)O Amb27990012 [0,1,0,0,0,0|2,0,0]=3 473 B10R0.56 COC(=O)[C@@H](O)[C@H](N)C(=O)O Amb27271132 [0,1,0,0,0,0|1,0,0]=2 474 B10R0.56 COC(=O)[C@@H](O)[C@H](O)C(=O)O Amb24764738 [0,1,0,0,0,0|0,0,0]=1 475 B10R0.56 COC(=O)[C@H](O)[C@@H](C)C(C)=O Amb27672220 [0,1,0,0,0,0|2,0,0]=3 476 B10R0.56 COC(=O)[C@H](O)[C@@H](O)C(=O)O Amb24763072 [0,1,0,0,0,0|0,0,0]=1 477 B10R0.56 COC(C)C(O)C(C)C(=O)O Amb25385684 [0,1,0,0,0,0|2,0,1]=4 478 B10R0.56 C[C@@H](F)[C@@H](O)[C@H](O)C(=O)CO Amb28080357 [0,1,0,0,0,0|2,0,1]=4 479 B10R0.56 C[C@@H](O)[C@@H](O)[C@@H](O)C(=O)CO Amb27269954 [0,1,0,0,0,0|1,0,1]=3 480 B10R0.56 C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O Amb25384666 [0,1,0,0,0,0|1,0,2]=4 481 B10R0.56 C[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO Amb27672523 [0,1,0,0,0,0|1,0,1]=3 482 B10R0.56 C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O Amb25385776 [0,1,0,0,0,0|1,0,2]=4 483 B10R0.56 C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C=O Amb22744734 [0,1,0,0,0,0|1,0,2]=4 484 B10R0.56 C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C=O Amb30867285 [0,1,0,0,0,0|1,0,2]=4 485 B10R0.56 C[C@@H](O)[C@H](O)[C@@H](O)C(=O)CO Amb27672351 [0,1,0,0,0,0|1,0,1]=3 486 B10R0.56 C[C@@H](O)[C@H](O)[C@H](O)C(=O)CO Amb27672576 [0,1,0,0,0,0|1,0,1]=3 487 B10R0.56 C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O Amb10807467 [0,1,0,0,0,0|1,0,2]=4 488 B10R0.56 C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)C=O Amb25384636 [0,1,0,0,0,0|1,0,2]=4 489 B10R0.56 C[C@H](C(=O)O)[C@H](O)[C@@H](C)C=O Amb27990231 [0,1,0,0,0,0|2,0,1]=4 490 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)C(=O)CO Amb27672265 [0,1,0,0,0,0|1,0,1]=3 491 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O Amb24765510 [0,1,0,0,0,0|1,0,2]=4 492 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O Amb3940857 [0,1,0,0,0,0|1,0,2]=4 493 B10R0.56 C[C@H](O)[C@@H](O)[C@H](O)C(=O)CO Amb27672407 [0,1,0,0,0,0|1,0,1]=3 494 B10R0.56 C[C@H](O)[C@H](O)[C@@H](O)C(=O)CO Amb27673859 [0,1,0,0,0,0|1,0,1]=3 495 B10R0.56 C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O Amb22735321 [0,1,0,0,0,0|1,0,2]=4 496 B10R0.56 C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O Amb3940871 [0,1,0,0,0,0|1,0,2]=4 497 B10R0.56 C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C=O Amb25384753 [0,1,0,0,0,0|1,0,2]=4 498 B10R0.56 C[C@H](O)[C@H](O)[C@H](O)C(=O)CO Amb27672575 [0,1,0,0,0,0|1,0,1]=3 499 B10R0.56 C\C=C(/C)[C@@H](O)[C@@H](C)C(=O)O Amb27478010 [0,1,0,0,0,0|3,0,0]=4 500 B10R0.56 C\C=C(/C)[C@@H](O)[C@H](C)C(=O)O Amb27478009 [0,1,0,0,0,0|3,0,0]=4 501 B10R0.56 C\C=C(\C)C(O)C(C)C(=O)O Amb27828161 [0,1,0,0,0,0|3,0,0]=4 502 B10R0.56 NC(=O)[C@@H](O)[C@H](O)[C@H](O)CO Amb27990201 [0,1,0,0,0,0|1,0,2]=4 503 B10R0.56 NC(C(=O)O)C(O)C(O)CBr Amb28080388 [0,1,0,0,0,0|2,0,1]=4 504 B10R0.56 NC(C(O)CO)C(O)C(=O)O Amb28079622 [0,1,0,0,0,0|1,0,2]=4 505 B10R0.56 NC(CO)C(O)C(O)C(=O)O Amb27671618 [0,1,0,0,0,0|1,0,1]=3 506 B10R0.56 NNC(=O)C(O)C(O)C(N)=O Amb28208291 [0,1,0,0,0,0|2,0,0]=3 507 B10R0.56 N[C@@H](C(=O)O)[C@H](O)C(=O)NO Amb27823329 [0,1,0,0,0,0|1,0,0]=2 508 B10R0.56 N[C@H](CO)[C@H](O)[C@@H](O)C(=O)O Amb27671661 [0,1,0,0,0,0|1,0,1]=3 509 B10R0.56 O=C(O)C(O)C(Cl)C(O)CCl Amb27672102 [0,1,0,0,0,0|2,0,1]=4 510 B10R0.56 O=C(O)C(O)C(O)C(O)CO Amb17939854 [0,1,0,0,0,0|0,0,2]=3 511 B10R0.56 O=C(O)[C@@H](O)[C@@H](O)C(O)CO Amb27988493 [0,1,0,0,0,0|0,0,2]=3 512 B10R0.56 O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)CO Amb26659477 [0,1,0,0,0,0|0,0,2]=3 513 B10R0.56 O=C(O)[C@@H](O)[C@H](O)C(=O)CO Amb27988486 [0,1,0,0,0,0|0,0,0]=1 514 B10R0.56 O=C(O)[C@@H](O)[C@H](O)C(O)CO Amb27988491 [0,1,0,0,0,0|0,0,2]=3 515 B10R0.56 O=C(O)[C@@H](O)[C@H](O)[C@H](O)CO Amb22233142 [0,1,0,0,0,0|0,0,2]=3 516 B10R0.56 O=C(O)[C@H](O)[C@@H](O)C(O)CO Amb27988494 [0,1,0,0,0,0|0,0,2]=3 517 B10R0.56 O=C(O)[C@H](O)[C@@H](O)[C@@H](O)CO Amb24764799 [0,1,0,0,0,0|0,0,2]=3 518 B10R0.56 O=C(O)[C@H](O)[C@H](O)C(O)CO Amb27988492 [0,1,0,0,0,0|0,0,2]=3 519 B10R0.56 O=C(O)[C@H](O)[C@H](O)[C@H](O)CO Amb25379509 [0,1,0,0,0,0|0,0,2]=3 520 B10R0.56 O=C([O-])[C@@H](O)[C@H](O)[C@H](O)CO Amb24103371 [0,1,0,0,0,0|0,0,3]=4 521 B10R0.56 O=C[C@H](O)[C@@H](O)[C@H](O)C(=O)O Amb27990018 [0,1,0,0,0,0|0,0,1]=2 522 B10R0.76 CC(=O)N(C)C(CO)C(=O)O Amb28386887 [0,1,0,0,0,0|3,0,0]=4 523 B10R0.76 CC(=O)N(C)[C@@H](CO)C(=O)O Amb26083314 [0,1,0,0,0,0|3,0,0]=4 524 B10R0.76 CC(C(=O)O)C(NO)C(=O)O Amb27673476 [0,1,0,0,0,0|1,0,0]=2 525 B10R0.76 CCC(C(=O)O)C(O)C(=O)O Amb25386294 [0,1,0,0,0,0|1,0,0]=2 526 B10R0.76 CC[C@@H](C(=O)O)[C@@H](O)C(=O)O Amb27990177 [0,1,0,0,0,0|1,0,0]=2 527 B10R0.76 CC[C@H](C(=O)O)[C@@H](C)C(=O)O Amb27269197 [0,1,0,0,0,0|2,0,0]=3 528 B10R0.76 CC[C@H](C(=O)O)[C@H](C)C(=O)O Amb27990007 [0,1,0,0,0,0|2,0,0]=3 529 B10R0.76 CC\C(C(=O)O)=C(\O)C(=O)O Amb27231786 [0,1,0,0,0,0|1,0,2]=4 530 B10R0.76 CO[C@H](C(=O)O)[C@@H](O)C(=O)O Amb27990020 [0,1,0,0,0,0|0,0,0]=1 531 B10R0.76 C[C@H](C(=O)O)[C@H](NN)C(=O)O Amb27272552 [0,1,0,0,0,0|2,0,0]=3 532 B10R0.76 N#CC(C(=O)O)C(N)C(=O)O Amb27974151 [0,1,0,0,0,0|2,0,0]=3 533 B10R0.76 NC(C(=O)O)C(CO)C(=O)O Amb27988471 [0,1,0,0,0,0|1,0,0]=2 534 B10R0.76 NCC(C(=O)O)[C@H](N)C(=O)O Amb25384089 [0,1,0,0,0,0|2,0,0]=3 535 B10R0.76 NN[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27272395 [0,1,0,0,0,0|2,0,0]=3 536 B10R0.76 N[C@H](C(=O)O)C(CO)C(=O)O Amb25384088 [0,1,0,0,0,0|1,0,0]=2 537 B10R0.117 C=C(C)C(C)(C)C(O)C(=O)O Amb33199890 [0,1,0,0,0,0|3,0,0]=4 538 B10R0.117 C=C(C)C(O)C(C)(C)C(=O)O Amb18645021 [0,1,0,0,0,0|3,0,0]=4 539 B10R0.117 CC(C(=O)O)C(C)(Cl)C(=O)O Amb27456129 [0,1,0,0,0,0|2,0,0]=3 540 B10R0.117 CC(C(=O)O)C(C)(N)C(=O)O Amb27791829 [0,1,0,0,0,0|2,0,0]=3 541 B10R0.117 CC(C(=O)O)C(C)(S)C(=O)O Amb27429072 [0,1,0,0,0,0|1,1,0]=3 542 B10R0.117 CC(C)(C(=O)O)C(Br)C(=O)O Amb25089525 [0,1,0,0,0,0|2,0,0]=3 543 B10R0.117 CC(C)(C(=O)O)C(N)C(=O)O Amb27232768 [0,1,0,0,0,0|2,0,0]=3 544 B10R0.117 CC(C)(C(=O)O)C(O)C(=O)O Amb18126316 [0,1,0,0,0,0|1,0,0]=2 545 B10R0.117 CC(C)(C(N)C(=O)O)S(=O)O Amb24487834 [0,1,0,0,0,0|3,0,0]=4 546 B10R0.117 CC(Cl)(C(N)=O)C(O)C(=O)O Amb27845428 [0,1,0,0,0,0|2,0,0]=3 547 B10R0.117 CC(O)(C(N)=O)C(O)C(N)=O Amb27975478 [0,1,0,0,0,0|2,0,0]=3 548 B10R0.117 C[C@@H](C(=O)O)[C@](C)(N)C(=O)O Amb28141183 [0,1,0,0,0,0|2,0,0]=3 549 B10R0.117 C[C@@H](C(=O)O)[C@](C)(O)C(=O)O Amb27876050 [0,1,0,0,0,0|1,0,0]=2 550 B10R0.117 C[C@@](O)(C(=O)O)[C@H](O)C(=O)O Amb28385578 [0,1,0,0,0,0|0,0,0]=1 551 B10R0.117 C[C@@](O)(C(N)=O)[C@@H](O)C(N)=O Amb28141953 [0,1,0,0,0,0|2,0,0]=3 552 B10R0.117 C[C@H](C(=O)O)[C@@](C)(Cl)C(=O)O Amb28070747 [0,1,0,0,0,0|2,0,0]=3 553 B10R0.117 C[C@H](C(=O)O)[C@](C)(O)C(=O)O Amb27483589 [0,1,0,0,0,0|1,0,0]=2 554 B10R0.117 NC(C(=O)O)C(F)(F)C(=O)O Amb24558165 [0,1,0,0,0,0|2,0,0]=3 555 B10R0.117 N[C@@H](C(=O)O)C(F)(F)C(=O)O Amb26566062 [0,1,0,0,0,0|2,0,0]=3 556 B10R0.117 O=C(O)C(O)C(F)(F)C(=O)O Amb27650600 [0,1,0,0,0,0|1,0,0]=2 557 B10R0.154 CC(C(N)C(=O)O)P(=O)(O)O Amb28341378 [0,1,0,0,0,0|3,0,0]=4 558 B10R1.116 O=C(O)C(O)C1CCC1=O Amb28349882 [0,0,0,1,0,0|2,0,0]=3 559 B10R1.119 N[C@@H]1C(=O)OC[C@@H](O)[C@H]1O Amb27640709 [0,0,0,1,0,0|2,0,1]=4 560 B10R1.119 N[C@H]1C(=O)OC[C@@H](O)[C@@H]1O Amb27460862 [0,0,0,1,0,0|2,0,1]=4 561 B10R1.119 O=C1C=C[C@@H](O)[C@@H](O)[C@@H]1O Amb28366533 [0,0,0,1,0,0|2,0,1]=4 562 B10R1.119 O=C1CC[C@@H](O)[C@H](O)[C@H]1O Amb24553809 [0,0,0,1,0,0|2,0,1]=4 563 B10R1.119 O=C1NC[C@@H](O)[C@H](O)[C@@H]1O Amb27203661 [0,0,0,1,0,0|2,0,1]=4 564 B10R1.119 O=C1NC[C@@H](O)[C@H](O)[C@H]1O Amb28197903 [0,0,0,1,0,0|2,0,1]=4 565 B10R1.119 O=C1NNC(=O)C(O)C1O Amb27805422 [0,0,0,1,0,0|2,0,0]=3 566 B10R1.119 O=C1OC[C@@H](O)[C@@H](O)[C@@H]1O Amb28053537 [0,0,0,1,0,0|1,0,1]=3 567 B10R1.119 O=C1OC[C@@H](O)[C@@H](O)[C@H]1O Amb26911960 [0,0,0,1,0,0|1,0,1]=3 568 B10R1.119 O=C1OC[C@@H](O)[C@H](O)[C@H]1O Amb27431367 [0,0,0,1,0,0|1,0,1]=3 569 B10R1.194 C=C(C)[C@H]1COC(=O)[C@H]1O Amb28255717 [0,0,0,1,0,0|3,0,0]=4 570 B10R1.194 CC(=O)C1COC(=O)C1C Amb27863667 [0,0,0,1,0,0|3,0,0]=4 571 B10R1.194 CC(=O)[C@@H]1COC(=O)[C@@H]1C Amb18202639 [0,0,0,1,0,0|3,0,0]=4 572 B10R1.194 CC1C(=O)C=CC1C(=O)O Amb27408528 [0,0,0,1,0,0|3,0,0]=4 573 B10R1.194 CC1C(=O)NCC1C(=O)O Amb27660444 [0,0,0,1,0,0|3,0,0]=4 574 B10R1.194 CC1C(=O)OCC1C(=O)O Amb4022599 [0,0,0,1,0,0|2,0,0]=3 575 B10R1.194 CC1C(O)COC1C(=O)O Amb25738059 [0,0,0,1,0,0|2,0,1]=4 576 B10R1.194 CN1C(=O)OCC1C(=O)O Amb25800781 [0,0,0,1,0,0|3,0,0]=4 577 B10R1.194 CN1C(=O)OC[C@@H]1C(=O)O Amb32673921 [0,0,0,1,0,0|3,0,0]=4 578 B10R1.194 C[C@@H]1C(=O)OC[C@H]1C(=O)O Amb28429847 [0,0,0,1,0,0|2,0,0]=3 579 B10R1.194 C[C@H]1C(=O)CC[C@H]1C(=O)O Amb27778459 [0,0,0,1,0,0|3,0,0]=4 580 B10R1.194 C[C@H]1C(=O)CN[C@@H]1C(=O)O Amb18831599 [0,0,0,1,0,0|3,0,0]=4 581 B10R1.194 C[C@H]1C(=O)NC[C@@H]1C(=O)O Amb27858486 [0,0,0,1,0,0|3,0,0]=4 582 B10R1.194 NC(=O)[C@@H]1OC[C@@H](O)[C@H]1O Amb24683290 [0,0,0,1,0,0|2,0,1]=4 583 B10R1.194 NC1C(=O)NCC1C(=O)O Amb25683449 [0,0,0,1,0,0|3,0,0]=4 584 B10R1.194 NC1C(=O)NCC1C(=O)O Amb32721524 [0,0,0,1,0,0|3,0,0]=4 585 B10R1.194 N[C@H]1C(=O)NC[C@@H]1C(=O)O Amb25230623 [0,0,0,1,0,0|3,0,0]=4 586 B10R1.194 N[C@H]1C(=O)NC[C@@H]1C(=O)O Amb32992773 [0,0,0,1,0,0|3,0,0]=4 587 B10R1.194 O=C(O)C1CCC(=O)N1O Amb27807058 [0,0,0,1,0,0|3,0,0]=4 588 B10R1.194 O=C(O)C1CCC(O)C1O Amb24480401 [0,0,0,1,0,0|2,0,1]=4 589 B10R1.194 O=C(O)C1NCC(O)C1O Amb24120646 [0,0,0,1,0,0|2,0,1]=4 590 B10R1.194 O=C(O)[C@@H]1CCC(=O)N1O Amb26357551 [0,0,0,1,0,0|3,0,0]=4 591 B10R1.194 O=C(O)[C@@H]1CC[C@@H](O)[C@@H]1O Amb28248507 [0,0,0,1,0,0|2,0,1]=4 592 B10R1.194 O=C(O)[C@@H]1CC[C@@H](O)[C@H]1O Amb27482063 [0,0,0,1,0,0|2,0,1]=4 593 B10R1.194 O=C(O)[C@@H]1CC[C@H](O)[C@@H]1O Amb27438244 [0,0,0,1,0,0|2,0,1]=4 594 B10R1.194 O=C(O)[C@@H]1NC[C@@H](O)[C@@H]1O Amb27258648 [0,0,0,1,0,0|2,0,1]=4 595 B10R1.194 O=C(O)[C@@H]1NC[C@@H](O)[C@H]1O Amb24546981 [0,0,0,1,0,0|2,0,1]=4 596 B10R1.194 O=C(O)[C@@H]1NC[C@H](O)[C@@H]1O Amb24605220 [0,0,0,1,0,0|2,0,1]=4 597 B10R1.194 O=C(O)[C@@H]1NC[C@H](O)[C@H]1O Amb25259269 [0,0,0,1,0,0|2,0,1]=4 598 B10R1.194 O=C(O)[C@H]1NCC(O)C1O Amb27647851 [0,0,0,1,0,0|2,0,1]=4 599 B10R1.194 O=C(O)[C@H]1NCC(O)[C@@H]1O Amb28203927 [0,0,0,1,0,0|2,0,1]=4 600 B10R1.194 O=C(O)[C@H]1NC[C@@H](O)[C@@H]1O Amb27252019 [0,0,0,1,0,0|2,0,1]=4 601 B10R1.194 O=C(O)[C@H]1NC[C@@H](O)[C@H]1O Amb27246425 [0,0,0,1,0,0|2,0,1]=4 602 B10R1.194 O=C(O)[C@H]1NC[C@H](O)[C@@H]1O Amb24120647 [0,0,0,1,0,0|2,0,1]=4 603 B10R1.194 O=C(O)c1occ(O)c1O Amb28050064 [0,0,0,1,0,0|1,0,2]=4 604 B10R1.194 O=C1OCC(C(=O)O)C1O Amb26405203 [0,0,0,1,0,0|1,0,0]=2 605 B10R1.271 CC1(C)OC(=O)C(O)C1O Amb27603195 [0,0,0,1,0,0|2,0,1]=4 606 B10R1.278 NC(=O)[C@H](O)[C@H](O)[C@H]1CO1 Amb27422025 [0,0,0,1,0,0|2,0,1]=4 607 B10R1.278 O=C([O-])[C@H](O)[C@H](O)[C@H]1CO1 Amb28079152 [0,0,0,1,0,0|1,0,2]=4 608 B10R1.360 CC(=O)C1(Br)CC1C(=O)O Amb28204025 [0,0,0,1,0,0|3,0,0]=4 609 B10R1.360 CC1(C(=O)O)CC1C(=O)O Amb612291 [0,0,0,1,0,0|2,0,0]=3 610 B10R1.360 C[C@@]1(C(=O)O)C[C@@H]1C(=O)O Amb24598825 [0,0,0,1,0,0|2,0,0]=3 611 B10R1.360 C[C@@]1(C(=O)O)O[C@@H]1C(=O)O Amb25340526 [0,0,0,1,0,0|1,0,0]=2 612 B10R1.360 C[C@]1(C(=O)O)C[C@@H]1C(=O)O Amb27420123 [0,0,0,1,0,0|2,0,0]=3 613 B10R1.360 C[C@]1(C(=O)O)C[C@H]1C(=O)O Amb27969184 [0,0,0,1,0,0|2,0,0]=3 614 B10R1.360 NC1(C(=O)O)CC1C(=O)O Amb25124900 [0,0,0,1,0,0|2,0,0]=3 615 B10R1.360 N[C@@]1(C(=O)O)C[C@H]1C(=O)O Amb24515142 [0,0,0,1,0,0|2,0,0]=3 616 B10R1.360 N[C@]1(C(=O)O)C[C@H]1C(=O)O Amb23452828 [0,0,0,1,0,0|2,0,0]=3 617 B10R1.360 O=C(O)C1CC1(Br)C(=O)O Amb27770448 [0,0,0,1,0,0|2,0,0]=3 618 B10R1.360 O=C(O)C1CC1(Cl)C(=O)O Amb27838075 [0,0,0,1,0,0|2,0,0]=3 619 B10R1.360 O=C(O)C1CC1(O)C(=O)O Amb27975726 [0,0,0,1,0,0|1,0,0]=2 620 B10R1.360 O=C(O)[C@@H]1C[C@@]1(Br)C(=O)O Amb27213790 [0,0,0,1,0,0|2,0,0]=3 621 B10R1.360 O=C(O)[C@H]1C[C@@]1(Br)C(=O)O Amb27969089 [0,0,0,1,0,0|2,0,0]=3 622 B10R1.360 O=C(O)[C@H]1C[C@@]1(Cl)C(=O)O Amb27984863 [0,0,0,1,0,0|2,0,0]=3 623 B10R1.361 CC(=O)[C@H]1CC[C@@H]1C(=O)O Amb28252580 [0,0,0,1,0,0|3,0,0]=4 624 B10R1.361 NC(=O)C1CCC1C(=O)O Amb26027341 [0,0,0,1,0,0|3,0,0]=4 625 B10R1.361 NC(=O)[C@@H]1CC[C@@H]1C(=O)O Amb27216173 [0,0,0,1,0,0|3,0,0]=4 626 B10R1.361 NC(=O)[C@@H]1CC[C@H]1C(=O)O Amb24366239 [0,0,0,1,0,0|3,0,0]=4 627 B10R1.361 O=C(O)C1CCC1C(=O)Cl Amb24753887 [0,0,0,1,0,0|3,0,0]=4 628 B10R1.361 O=C(O)C1CCC1C(=O)O Amb19373431 [0,0,0,1,0,0|2,0,0]=3 629 B10R1.361 O=C(O)[C@@H]1C=C[C@H]1C(=O)O Amb27469606 [0,0,0,1,0,0|2,0,0]=3 630 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O Amb2609028 [0,0,0,1,0,0|2,0,0]=3 631 B10R1.361 O=C(O)[C@@H]1CN[C@H]1C(=O)O Amb25956288 [0,0,0,1,0,0|2,0,0]=3 632 B10R1.361 O=C(O)[C@H]1C=C[C@H]1C(=O)O Amb27831905 [0,0,0,1,0,0|2,0,0]=3 633 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O Amb25267014 [0,0,0,1,0,0|2,0,0]=3 634 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O Amb16230761 [0,0,0,1,0,0|2,0,0]=3 635 B10R1.361 O=C(O)[C@H]1CN[C@@H]1C(=O)O Amb25225066 [0,0,0,1,0,0|2,0,0]=3 636 B10R1.361 O=C(O)[C@H]1NC[C@H]1C(=O)O Amb26967619 [0,0,0,1,0,0|2,0,0]=3 637 B10R0.13 CC(=O)C(C)C(C)CC(=O)O Amb18645031 [0,0,0,0,0,1|3,0,0]=4 638 B10R0.13 CC(=O)CC(C)C(C)C(=O)O Amb18126130 [0,0,0,0,0,1|3,0,0]=4 639 B10R0.13 CC(=O)NC(C)C(C)C(=O)O Amb28137397 [0,0,0,0,0,1|3,0,0]=4 640 B10R0.13 CC(=O)N[C@@H](C)[C@H](O)C(=O)O Amb27477763 [0,0,0,0,0,1|2,0,0]=3 641 B10R0.13 CC(=O)OC(C)C(N)C(=O)O Amb25385009 [0,0,0,0,0,1|3,0,0]=4 642 B10R0.13 CC(=O)OC(C)C(O)C(C)=O Amb27672515 [0,0,0,0,0,1|3,0,0]=4 643 B10R0.13 CC(=O)O[C@@H](C)[C@@H](N)C(=O)O Amb22747815 [0,0,0,0,0,1|3,0,0]=4 644 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O Amb27272567 [0,0,0,0,0,1|3,0,0]=4 645 B10R0.13 CC(C)CC(O)C(O)C(=O)O Amb27990260 [0,0,0,0,0,1|2,0,1]=4 646 B10R0.13 CC(CC(=O)O)C(C)C(=O)O Amb4009129 [0,0,0,0,0,1|2,0,0]=3 647 B10R0.13 CC(CC(=O)O)C(N)C(=O)O Amb23440872 [0,0,0,0,0,1|2,0,0]=3 648 B10R0.13 CC(CC(=O)O)C(N)C(N)=O Amb27989322 [0,0,0,0,0,1|3,0,0]=4 649 B10R0.13 CC(CC(=O)O)[C@H](N)C(=O)O Amb26990553 [0,0,0,0,0,1|2,0,0]=3 650 B10R0.13 CC(CC(N)=O)C(N)C(=O)O Amb27989323 [0,0,0,0,0,1|3,0,0]=4 651 B10R0.13 CC(OC(N)=O)C(N)C(=O)O Amb26082810 [0,0,0,0,0,1|3,0,0]=4 652 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O Amb19133152 [0,0,0,0,0,1|2,0,0]=3 653 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O Amb28388115 [0,0,0,0,0,1|2,0,0]=3 654 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O Amb28388114 [0,0,0,0,0,1|2,0,0]=3 655 B10R0.13 C[C@H](O)[C@H](O)[C@@H](O)CC(=O)O Amb27990155 [0,0,0,0,0,1|1,0,1]=3 656 B10R0.13 C\C(=C/C(=O)O)C(O)C(=O)O Amb28119844 [0,0,0,0,0,1|1,0,1]=3 657 B10R0.13 NC(=O)CC(O)C(N)C(N)=O Amb28080520 [0,0,0,0,0,1|3,0,0]=4 658 B10R0.13 NC(=O)C[C@@H](O)[C@@H](N)C(=O)O Amb27990186 [0,0,0,0,0,1|2,0,0]=3 659 B10R0.13 NC(=O)[C@@H](N)[C@H](O)CC(=O)O Amb27990184 [0,0,0,0,0,1|2,0,0]=3 660 B10R0.13 NC(=O)[C@H](N)[C@H](O)CC(=O)O Amb27990185 [0,0,0,0,0,1|2,0,0]=3 661 B10R0.13 NC(C(=O)O)C(O)CC(=O)O Amb25383245 [0,0,0,0,0,1|1,0,0]=2 662 B10R0.13 NC(C(=O)O)\C(Cl)=C\C(=O)O Amb24374819 [0,0,0,0,0,1|2,0,1]=4 663 B10R0.13 NC(CC(=O)O)C(O)C(=O)O Amb26083654 [0,0,0,0,0,1|1,0,0]=2 664 B10R0.13 NC(CC(=O)O)[C@H](N)C(=O)O Amb24764806 [0,0,0,0,0,1|2,0,0]=3 665 B10R0.13 N[C@@H](C(=O)O)[C@@H](O)CC(=O)O Amb27990015 [0,0,0,0,0,1|1,0,0]=2 666 B10R0.13 N[C@H](C(=O)O)C(F)CC(=O)O Amb26083316 [0,0,0,0,0,1|2,0,0]=3 667 B10R0.13 O=C(O)CC(Br)C(=O)C(=O)O Amb33756838 [0,0,0,0,0,1|1,0,2]=4 668 B10R0.93 C=C(CC(C)C(=O)O)C(=O)O Amb10844068 [0,0,0,0,0,1|2,0,1]=4 669 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Amb18126175 [0,0,0,0,0,1|2,0,1]=4 670 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Amb33734644 [0,0,0,0,0,1|2,0,1]=4 671 B10R0.93 C=C(C[C@@H](N)C(=O)O)C(=O)O Amb27990014 [0,0,0,0,0,1|2,0,1]=4 672 B10R0.93 CC(=O)C(C)CC(C)C(=O)O Amb4014440 [0,0,0,0,0,1|3,0,0]=4 673 B10R0.93 CC(=O)C(C)SC(C)C(=O)O Amb28352063 [0,0,0,0,0,1|3,0,0]=4 674 B10R0.93 CC(=O)[C@@H](C)C[C@H](C)C(=O)O Amb27989934 [0,0,0,0,0,1|3,0,0]=4 675 B10R0.93 CC(CC(=O)C(=O)O)C(=O)O Amb26660388 [0,0,0,0,0,1|1,0,2]=4 676 B10R0.93 CC(CC(C)C(=O)O)C(=O)O Amb4014252 [0,0,0,0,0,1|2,0,0]=3 677 B10R0.93 CC(CC(N)C(=O)O)C(=O)O Amb23440871 [0,0,0,0,0,1|2,0,0]=3 678 B10R0.93 CC(C[C@@H](N)C(=O)O)C(=O)O Amb26999819 [0,0,0,0,0,1|2,0,0]=3 679 B10R0.93 CC(C[C@H](N)C(=O)O)C(=O)O Amb27000115 [0,0,0,0,0,1|2,0,0]=3 680 B10R0.93 CC(NC(=O)C(=O)O)C(=O)O Amb25108452 [0,0,0,0,0,1|1,0,2]=4 681 B10R0.93 CC(NC(C)C(=O)O)C(=O)O Amb18126275 [0,0,0,0,0,1|2,0,0]=3 682 B10R0.93 CC(N[C@@H](C)C(=O)O)C(=O)O Amb26659333 [0,0,0,0,0,1|2,0,0]=3 683 B10R0.93 CC(N[C@H](C)C(=O)O)C(=O)O Amb27266632 [0,0,0,0,0,1|2,0,0]=3 684 B10R0.93 CC(O[C@@H](C)C(=O)O)C(N)=O Amb27986323 [0,0,0,0,0,1|3,0,0]=4 685 B10R0.93 CC(SC(C)C(=O)O)C(=O)O Amb17501619 [0,0,0,0,0,1|2,0,0]=3 686 B10R0.93 CC(SC(C)C(=O)O)C(N)=O Amb9202524 [0,0,0,0,0,1|3,0,0]=4 687 B10R0.93 C[C@@H](C[C@@H](C)C(=O)O)C(=O)O Amb27272288 [0,0,0,0,0,1|2,0,0]=3 688 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]=3 689 B10R0.93 C[C@@H](C[C@H](N)C(=O)O)C(N)=O Amb27990165 [0,0,0,0,0,1|3,0,0]=4 690 B10R0.93 C[C@@H](NC(=O)C(=O)O)C(=O)O Amb19893389 [0,0,0,0,0,1|1,0,2]=4 691 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]=3 692 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]=3 693 B10R0.93 C[C@@H](S[C@H](C)C(=O)O)C(=O)O Amb27990009 [0,0,0,0,0,1|2,0,0]=3 694 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O Amb10807462 [0,0,0,0,0,1|2,0,0]=3 695 B10R0.93 C[C@H](N[C@@H](C)C(=O)O)C(=O)O Amb27001396 [0,0,0,0,0,1|2,0,0]=3 696 B10R0.93 C\C(=C\C(C)C(=O)O)C(=O)O Amb23591115 [0,0,0,0,0,1|2,0,1]=4 697 B10R0.93 NC(=O)C(F)CC(N)C(=O)O Amb25386442 [0,0,0,0,0,1|3,0,0]=4 698 B10R0.93 NC(=O)C(F)C[C@H](N)C(=O)O Amb25383170 [0,0,0,0,0,1|3,0,0]=4 699 B10R0.93 NC(=O)C(O)C[C@H](N)C(=O)O Amb27990187 [0,0,0,0,0,1|2,0,0]=3 700 B10R0.93 NC(=O)[C@@H](F)C[C@@H](N)C(=O)O Amb10839752 [0,0,0,0,0,1|3,0,0]=4 701 B10R0.93 NC(=O)[C@@H](F)C[C@H](N)C(=O)O Amb10839753 [0,0,0,0,0,1|3,0,0]=4 702 B10R0.93 NC(=O)[C@@H](N)C[C@H](F)C(=O)O Amb10838207 [0,0,0,0,0,1|3,0,0]=4 703 B10R0.93 NC(=O)[C@H](F)C[C@@H](N)C(=O)O Amb25384972 [0,0,0,0,0,1|3,0,0]=4 704 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O Amb26083606 [0,0,0,0,0,1|3,0,0]=4 705 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O Amb33804028 [0,0,0,0,0,1|3,0,0]=4 706 B10R0.93 NC(CC(=O)C(=O)O)C(=O)O Amb27671651 [0,0,0,0,0,1|1,0,2]=4 707 B10R0.93 NC(CC(F)C(=O)O)C(=O)O Amb2688100 [0,0,0,0,0,1|2,0,0]=3 708 B10R0.93 NC(CC(N)C(=O)O)C(=O)O Amb24117887 [0,0,0,0,0,1|2,0,0]=3 709 B10R0.93 NC(CC(N)C(=O)O)C(=O)O Amb3994432 [0,0,0,0,0,1|2,0,0]=3 710 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O Amb22800491 [0,0,0,0,0,1|2,0,0]=3 711 B10R0.93 N[C@@H](CC(O)C(=O)O)C(=O)O Amb27492043 [0,0,0,0,0,1|1,0,0]=2 712 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]=3 713 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]=3 714 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O Amb6600059 [0,0,0,0,0,1|1,0,0]=2 715 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]=3 716 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]=3 717 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O Amb22800665 [0,0,0,0,0,1|1,0,0]=2 718 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O Amb24117514 [0,0,0,0,0,1|1,0,0]=2 719 B10R0.93 N[C@H](C[C@@H](F)C(=O)O)C(=O)O Amb26083605 [0,0,0,0,0,1|2,0,0]=3 720 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]=3 721 B10R0.93 N[C@H](C[C@H](F)C(=O)O)C(=O)O Amb10839750 [0,0,0,0,0,1|2,0,0]=3 722 B10R0.93 O=C(O)C(=O)CC(O)C(=O)O Amb17615458 [0,0,0,0,0,1|0,0,2]=3 723 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O Amb17621581 [0,0,0,0,0,1|2,0,0]=3 724 B10R0.93 O=C(O)C(O)SC(O)C(=O)O Amb17772308 [0,0,0,0,0,1|0,0,0]=1 725 B10R0.93 O=C(O)[C@@H](S)C[C@@H](S)C(=O)O Amb27990019 [0,0,0,0,0,1|0,2,0]=3 726 B10R0.93 [NH3+]C(CC(O)C(=O)O)C(=O)[O-] Amb25385683 [0,0,0,0,0,1|1,0,1]=3 727 B7R0.2 C#C[C@H](O)CC(=O)O Amb28285208 [2,0,0,0,0,0|1,0,1]=4 728 B7R0.2 C=CC(C)CC(=O)O Amb18641774 [2,0,0,0,0,0|2,0,0]=4 729 B7R0.2 C=CC(N)CC(=O)O Amb22641963 [2,0,0,0,0,0|2,0,0]=4 730 B7R0.2 C=CC(N)CC(=O)O Amb31307621 [2,0,0,0,0,0|2,0,0]=4 731 B7R0.2 C=CC(O)CC(=O)O Amb18641866 [2,0,0,0,0,0|1,0,0]=3 732 B7R0.2 C=C[C@@H](C)CC(=O)O Amb27868377 [2,0,0,0,0,0|2,0,0]=4 733 B7R0.2 C=C[C@@H](N)CC(=O)O Amb28315938 [2,0,0,0,0,0|2,0,0]=4 734 B7R0.2 C=C[C@H](C)CC(=O)O Amb25791667 [2,0,0,0,0,0|2,0,0]=4 735 B7R0.2 CC(=O)C[C@@H](C)C=O Amb27470883 [2,0,0,0,0,0|2,0,0]=4 736 B7R0.2 CC(=O)C[C@H](C)C=O Amb24379584 [2,0,0,0,0,0|2,0,0]=4 737 B7R0.2 CC(=O)C[C@H](O)CO Amb28316148 [2,0,0,0,0,0|1,0,1]=4 738 B7R0.2 CC(CO)CC(=O)O Amb18198168 [2,0,0,0,0,0|1,0,1]=4 739 B7R0.2 CCC(O)CC(=O)O Amb10844270 [2,0,0,0,0,0|1,0,1]=4 740 B7R0.2 CC[C@@H](O)CC(=O)O Amb27601320 [2,0,0,0,0,0|1,0,1]=4 741 B7R0.2 CC[C@H](O)CC(=O)O Amb33189078 [2,0,0,0,0,0|1,0,1]=4 742 B7R0.2 C[C@H](CO)CC(=O)O Amb28040661 [2,0,0,0,0,0|1,0,1]=4 743 B7R0.2 NC(=O)CC(O)CO Amb25662216 [2,0,0,0,0,0|1,0,1]=4 744 B7R0.2 NC(=O)C[C@H](O)CO Amb8388588 [2,0,0,0,0,0|1,0,1]=4 745 B7R0.2 NC(C=O)CC(=O)O Amb27669608 [2,0,0,0,0,0|1,0,0]=3 746 B7R0.2 NCC(O)CC(=O)O Amb32663899 [2,0,0,0,0,0|1,0,1]=4 747 B7R0.2 NCC(O)CC(=O)O Amb33544754 [2,0,0,0,0,0|1,0,1]=4 748 B7R0.2 NC[C@@H](O)CC(=O)O Amb32665211 [2,0,0,0,0,0|1,0,1]=4 749 B7R0.2 NC[C@@H](O)CC(=O)O Amb8386098 [2,0,0,0,0,0|1,0,1]=4 750 B7R0.2 NC[C@H](O)CC(=O)O Amb8628962 [2,0,0,0,0,0|1,0,1]=4 751 B7R0.2 N[C@@H](CO)CC(=O)O Amb16184020 [2,0,0,0,0,0|1,0,1]=4 752 B7R0.2 N[C@@H](CO)CC(=O)O Amb22388520 [2,0,0,0,0,0|1,0,1]=4 753 B7R0.2 N[C@H](C=O)CC(=O)O Amb28428447 [2,0,0,0,0,0|1,0,0]=3 754 B7R0.2 N[C@H](CO)CC(=O)O Amb2694944 [2,0,0,0,0,0|1,0,1]=4 755 B7R0.2 O=C(O)CC(O)CBr Amb27592126 [2,0,0,0,0,0|1,0,1]=4 756 B7R0.2 O=C(O)CC(O)CF Amb26557587 [2,0,0,0,0,0|1,0,1]=4 757 B7R0.2 O=C(O)CC(O)CO Amb28120003 [2,0,0,0,0,0|0,0,1]=3 758 B7R0.2 O=C(O)CC(O)CS Amb27244674 [2,0,0,0,0,0|0,1,1]=4 759 B7R0.2 O=C(O)C[C@@H](O)CF Amb33377449 [2,0,0,0,0,0|1,0,1]=4 760 B7R0.2 O=C(O)C[C@H](O)CBr Amb28325607 [2,0,0,0,0,0|1,0,1]=4 761 B7R0.2 O=C(O)C[C@H](O)CCl Amb27830780 [2,0,0,0,0,0|1,0,1]=4 762 B7R0.2 O=C(O)C[C@H](O)CF Amb33377451 [2,0,0,0,0,0|1,0,1]=4 763 B7R0.2 O=C(O)C[C@H](O)CO Amb26353423 [2,0,0,0,0,0|0,0,1]=3 764 B7R0.2 O=C([O-])CC(O)CO Amb24117078 [2,0,0,0,0,0|0,0,2]=4 765 B7R0.2 O=CN(O)CC(=O)O Amb25367291 [2,0,0,0,0,0|1,0,0]=3 766 B7R0.5 C#CCC(O)C(=O)O Amb27154881 [2,0,0,0,0,0|1,0,1]=4 767 B7R0.5 C=CCC(C)C(=O)O Amb33545044 [2,0,0,0,0,0|2,0,0]=4 768 B7R0.5 C=CCC(Cl)C(=O)O Amb25056173 [2,0,0,0,0,0|2,0,0]=4 769 B7R0.5 C=CCC(F)C(=O)O Amb28071391 [2,0,0,0,0,0|2,0,0]=4 770 B7R0.5 C=CCC(N)C(=O)O Amb21856826 [2,0,0,0,0,0|2,0,0]=4 771 B7R0.5 C=CCC(N)C(=O)O Amb9729145 [2,0,0,0,0,0|2,0,0]=4 772 B7R0.5 C=CCC(O)C(C)=O Amb26451431 [2,0,0,0,0,0|2,0,0]=4 773 B7R0.5 C=CC[C@@H](N)C(=O)O Amb22745310 [2,0,0,0,0,0|2,0,0]=4 774 B7R0.5 C=CC[C@@H](N)C(=O)O Amb8389451 [2,0,0,0,0,0|2,0,0]=4 775 B7R0.5 C=CC[C@H](N)C(=O)O Amb10982568 [2,0,0,0,0,0|2,0,0]=4 776 B7R0.5 C=CC[C@H](N)C(=O)O Amb2699115 [2,0,0,0,0,0|2,0,0]=4 777 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [2,0,0,0,0,0|2,0,0]=4 778 B7R0.5 CC(=O)[C@H](O)CC=O Amb27446551 [2,0,0,0,0,0|1,0,0]=3 779 B7R0.5 CC(CC=O)C(=O)O Amb27952476 [2,0,0,0,0,0|1,0,0]=3 780 B7R0.5 CC(CCO)C(=O)O Amb18641949 [2,0,0,0,0,0|1,0,1]=4 781 B7R0.5 CC(CNO)C(=O)O Amb28315956 [2,0,0,0,0,0|2,0,0]=4 782 B7R0.5 CC(NC=O)C(=O)O Amb1144629 [2,0,0,0,0,0|2,0,0]=4 783 B7R0.5 CC(OC=O)C(=O)O Amb27872094 [2,0,0,0,0,0|2,0,0]=4 784 B7R0.5 CCCC(O)C(=O)O Amb2818222 [2,0,0,0,0,0|1,0,1]=4 785 B7R0.5 CCC[C@@H](O)C(=O)O Amb22746731 [2,0,0,0,0,0|1,0,1]=4 786 B7R0.5 CCC[C@H](O)C(=O)O Amb22226514 [2,0,0,0,0,0|1,0,1]=4 787 B7R0.5 CNCC(O)C(=O)O Amb26894610 [2,0,0,0,0,0|2,0,0]=4 788 B7R0.5 COCC(O)C(=O)O Amb18124273 [2,0,0,0,0,0|2,0,0]=4 789 B7R0.5 COC[C@H](O)C(=O)O Amb27778843 [2,0,0,0,0,0|2,0,0]=4 790 B7R0.5 CSCC(O)C(=O)O Amb25131873 [2,0,0,0,0,0|2,0,0]=4 791 B7R0.5 C[C@@H](O)[C@@H](O)CC=O Amb27643485 [2,0,0,0,0,0|1,0,1]=4 792 B7R0.5 C[C@@H](O)[C@H](O)CC=O Amb27798254 [2,0,0,0,0,0|1,0,1]=4 793 B7R0.5 C[C@H](NC=O)C(=O)O Amb28323701 [2,0,0,0,0,0|2,0,0]=4 794 B7R0.5 C\C=C\C(O)C(=O)O Amb30585115 [2,0,0,0,0,0|1,0,1]=4 795 B7R0.5 C\C=C\[C@@H](O)C(=O)O Amb28368832 [2,0,0,0,0,0|1,0,1]=4 796 B7R0.5 C\C=C\[C@H](O)C(=O)O Amb27162651 [2,0,0,0,0,0|1,0,1]=4 797 B7R0.5 NC(CCO)C(=O)O Amb8514287 [2,0,0,0,0,0|1,0,1]=4 798 B7R0.5 NC(CNO)C(=O)O Amb4092732 [2,0,0,0,0,0|2,0,0]=4 799 B7R0.5 NCCC(O)C(=O)O Amb16232090 [2,0,0,0,0,0|1,0,1]=4 800 B7R0.5 NCC[C@@H](O)C(=O)O Amb22748225 [2,0,0,0,0,0|1,0,1]=4 801 B7R0.5 NCC[C@H](O)C(=O)O Amb8386099 [2,0,0,0,0,0|1,0,1]=4 802 B7R0.5 N[C@@H](CCO)C(=O)O Amb20242705 [2,0,0,0,0,0|1,0,1]=4 803 B7R0.5 N[C@@H](CCO)C(=O)O Amb6600040 [2,0,0,0,0,0|1,0,1]=4 804 B7R0.5 N[C@H](CC=O)C(=O)O Amb27839576 [2,0,0,0,0,0|1,0,0]=3 805 B7R0.5 N[C@H](CCO)C(=O)O Amb4166299 [2,0,0,0,0,0|1,0,1]=4 806 B7R0.5 N[C@H](C[SH]=O)C(=O)O Amb27596028 [2,0,0,0,0,0|2,0,0]=4 807 B7R0.5 O=C(O)C(Br)CCO Amb28325416 [2,0,0,0,0,0|1,0,1]=4 808 B7R0.5 O=C(O)C(O)CCCl Amb27644540 [2,0,0,0,0,0|1,0,1]=4 809 B7R0.5 O=C(O)C(O)CCF Amb28071189 [2,0,0,0,0,0|1,0,1]=4 810 B7R0.5 O=C(O)C(O)CCO Amb24689942 [2,0,0,0,0,0|0,0,1]=3 811 B7R0.5 O=C(O)C(O)CNO Amb27405525 [2,0,0,0,0,0|1,0,0]=3 812 B7R0.5 O=C(O)[C@@H](O)CCBr Amb27238673 [2,0,0,0,0,0|1,0,1]=4 813 B7R0.5 O=CCC(=O)C(=O)O Amb26326260 [2,0,0,0,0,0|0,0,2]=4 814 B7R0.10 C=CC(O)C(O)C=C Amb22167268 [2,0,0,0,0,0|2,0,0]=4 815 B7R0.10 C=C[C@@H](O)[C@@H](O)CO Amb26498961 [2,0,0,0,0,0|1,0,1]=4 816 B7R0.10 C=C[C@H](O)[C@H](O)C=C Amb27664078 [2,0,0,0,0,0|2,0,0]=4 817 B7R0.10 C=C[C@H](O)[C@H](O)CO Amb27665226 [2,0,0,0,0,0|1,0,1]=4 818 B7R0.10 O=CC(O)C(O)C=O Amb26319267 [2,0,0,0,0,0|0,0,0]=2 819 B7R0.10 O=CC(O)C(O)CO Amb8513487 [2,0,0,0,0,0|0,0,1]=3 820 B7R0.10 O=C[C@@H](O)[C@@H](O)CO Amb25839823 [2,0,0,0,0,0|0,0,1]=3 821 B7R0.10 O=C[C@H](O)[C@@H](O)CO Amb24481533 [2,0,0,0,0,0|0,0,1]=3 822 B7R0.10 O=C[C@H](O)[C@H](O)CO Amb9825398 [2,0,0,0,0,0|0,0,1]=3 823 B7R0.10 OCC(O)C(O)CO Amb2687705 [2,0,0,0,0,0|0,0,2]=4 824 B7R0.10 OCC(O)[C@H](O)CO Amb27981952 [2,0,0,0,0,0|0,0,2]=4 825 B7R0.10 OC[C@@H](O)[C@H](O)CO Amb20242423 [2,0,0,0,0,0|0,0,2]=4 826 B7R0.10 OC[C@H](O)[C@H](O)CO Amb33523573 [2,0,0,0,0,0|0,0,2]=4 827 B7R0.16 C=C(C)C(O)C(=O)O Amb27859701 [2,0,0,0,0,0|1,0,1]=4 828 B7R0.16 C=C(C)[C@@H](O)C(=O)O Amb28071409 [2,0,0,0,0,0|1,0,1]=4 829 B7R0.16 CC(=O)C(O)C(C)O Amb26597030 [2,0,0,0,0,0|1,0,1]=4 830 B7R0.16 CC(=O)[C@@H](O)[C@@H](C)O Amb24481484 [2,0,0,0,0,0|1,0,1]=4 831 B7R0.16 CC(=O)[C@@H](O)[C@H](C)O Amb28045145 [2,0,0,0,0,0|1,0,1]=4 832 B7R0.16 CC(=O)[C@H](O)[C@@H](C)O Amb24701454 [2,0,0,0,0,0|1,0,1]=4 833 B7R0.16 CC(C(=O)O)C(=O)O Amb6600127 [2,0,0,0,0,0|1,0,1]=4 834 B7R0.16 CC(C)C(O)C(=O)O Amb2582547 [2,0,0,0,0,0|1,0,1]=4 835 B7R0.16 CC(C)[C@@H](O)C(=O)O Amb10071589 [2,0,0,0,0,0|1,0,1]=4 836 B7R0.16 CC(C)[C@H](O)C(=O)O Amb2694861 [2,0,0,0,0,0|1,0,1]=4 837 B7R0.16 CC(N)C(O)C(=O)O Amb18641970 [2,0,0,0,0,0|1,0,1]=4 838 B7R0.16 CC(N)C(O)C(=O)O Amb33299223 [2,0,0,0,0,0|1,0,1]=4 839 B7R0.16 CC(O)C(Br)C(=O)O Amb17594710 [2,0,0,0,0,0|1,0,1]=4 840 B7R0.16 CC(O)C(C)C(=O)O Amb17615515 [2,0,0,0,0,0|1,0,1]=4 841 B7R0.16 CC(O)C(Cl)C(=O)O Amb17593522 [2,0,0,0,0,0|1,0,1]=4 842 B7R0.16 CC(O)C(F)C(=O)O Amb33544667 [2,0,0,0,0,0|1,0,1]=4 843 B7R0.16 CC(O)C(N)C(=O)O Amb32665460 [2,0,0,0,0,0|1,0,1]=4 844 B7R0.16 CC(O)C(N)C(=O)O Amb9703096 [2,0,0,0,0,0|1,0,1]=4 845 B7R0.16 CC(O)C(O)C(=O)O Amb18124272 [2,0,0,0,0,0|0,0,1]=3 846 B7R0.16 C[C@@H](O)C(N)C(=O)O Amb26397429 [2,0,0,0,0,0|1,0,1]=4 847 B7R0.16 C[C@@H](O)[C@@H](Cl)C(=O)O Amb27489415 [2,0,0,0,0,0|1,0,1]=4 848 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Amb8514159 [2,0,0,0,0,0|1,0,1]=4 849 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O Amb27812084 [2,0,0,0,0,0|0,0,1]=3 850 B7R0.16 C[C@@H](O)[C@H](Cl)C(=O)O Amb27188843 [2,0,0,0,0,0|1,0,1]=4 851 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb22351168 [2,0,0,0,0,0|1,0,1]=4 852 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb33623705 [2,0,0,0,0,0|1,0,1]=4 853 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb6599999 [2,0,0,0,0,0|1,0,1]=4 854 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O Amb10844572 [2,0,0,0,0,0|1,0,1]=4 855 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O Amb27751951 [2,0,0,0,0,0|1,0,1]=4 856 B7R0.16 C[C@H](O)[C@@H](Br)C(=O)O Amb27476235 [2,0,0,0,0,0|1,0,1]=4 857 B7R0.16 C[C@H](O)[C@@H](F)C(=O)O Amb27837922 [2,0,0,0,0,0|1,0,1]=4 858 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Amb6297293 [2,0,0,0,0,0|1,0,1]=4 859 B7R0.16 C[C@H](O)[C@@H](O)C(=O)O Amb25844932 [2,0,0,0,0,0|0,0,1]=3 860 B7R0.16 C[C@H](O)[C@H](Br)C(=O)O Amb27409077 [2,0,0,0,0,0|1,0,1]=4 861 B7R0.16 C[C@H](O)[C@H](C)C(=O)O Amb27440373 [2,0,0,0,0,0|1,0,1]=4 862 B7R0.16 C[C@H](O)[C@H](Cl)C(=O)O Amb27410667 [2,0,0,0,0,0|1,0,1]=4 863 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb32663639 [2,0,0,0,0,0|1,0,1]=4 864 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb8514158 [2,0,0,0,0,0|1,0,1]=4 865 B7R0.16 C[C@H](O)[C@H](O)C(=O)O Amb27831803 [2,0,0,0,0,0|0,0,1]=3 866 B7R0.16 C[PH](=O)C(O)C(=O)O Amb34916646 [2,0,0,0,0,0|2,0,0]=4 867 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [2,0,0,0,0,0|1,0,1]=4 868 B7R0.16 N[C@@H](C(=O)O)S(=O)O Amb28125643 [2,0,0,0,0,0|2,0,0]=4 869 B7R0.16 N[C@H](C(=O)O)C(O)O Amb27867398 [2,0,0,0,0,0|1,0,0]=3 870 B7R0.16 O=C(O)C(Br)C(=O)O Amb17594708 [2,0,0,0,0,0|1,0,1]=4 871 B7R0.16 O=C(O)C(F)C(=O)O Amb24055884 [2,0,0,0,0,0|1,0,1]=4 872 B7R0.16 O=C(O)C(O)C(=O)O Amb1215315 [2,0,0,0,0,0|0,0,1]=3 873 B7R0.16 O=C(O)C(O)C(Cl)Cl Amb27212773 [2,0,0,0,0,0|2,0,0]=4 874 B7R0.16 O=C(O)C(O)C(F)F Amb25074883 [2,0,0,0,0,0|2,0,0]=4 875 B7R0.16 O=C(O)C(S)C(=O)O Amb28346986 [2,0,0,0,0,0|0,1,1]=4 876 B7R0.6 C=C(Br)CCC(=O)O Amb18648212 [2,0,0,0,0,0|2,0,0]=4 877 B7R0.6 C=C(C)CCC(=O)O Amb18641793 [2,0,0,0,0,0|2,0,0]=4 878 B7R0.6 C=C(Cl)CCC(=O)O Amb18642971 [2,0,0,0,0,0|2,0,0]=4 879 B7R0.6 C=C(N)CCC(=O)O Amb27629351 [2,0,0,0,0,0|2,0,0]=4 880 B7R0.6 CC(=O)CCC(=O)O Amb534169 [2,0,0,0,0,0|1,0,0]=3 881 B7R0.6 CC(=O)CCC(C)=O Amb2793010 [2,0,0,0,0,0|2,0,0]=4 882 B7R0.6 CC(=O)CCC(N)=O Amb17142854 [2,0,0,0,0,0|2,0,0]=4 883 B7R0.6 CC(=O)CCC(O)=S Amb27267983 [2,0,0,0,0,0|1,1,0]=4 884 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [2,0,0,0,0,0|2,0,0]=4 885 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [2,0,0,0,0,0|2,0,0]=4 886 B7R0.6 CC(O)CCC(=O)O Amb18294804 [2,0,0,0,0,0|1,0,1]=4 887 B7R0.6 CS(=O)CCC(=O)O Amb18523762 [2,0,0,0,0,0|2,0,0]=4 888 B7R0.6 C[C@H](O)CCC(=O)O Amb27656596 [2,0,0,0,0,0|1,0,1]=4 889 B7R0.6 NC(=O)CCC(=O)Cl Amb28240580 [2,0,0,0,0,0|2,0,0]=4 890 B7R0.6 NC(=O)CCC(=O)O Amb2967294 [2,0,0,0,0,0|1,0,0]=3 891 B7R0.6 NC(=O)CCC(N)=O Amb1353209 [2,0,0,0,0,0|2,0,0]=4 892 B7R0.6 NC(=O)NCC(=O)O Amb6366364 [2,0,0,0,0,0|2,0,0]=4 893 B7R0.6 NC(=S)CCC(=O)O Amb18102382 [2,0,0,0,0,0|1,1,0]=4 894 B7R0.6 O=C(Cl)CCC(=O)Cl Amb3940240 [2,0,0,0,0,0|2,0,0]=4 895 B7R0.6 O=C(O)C#CC(=O)O Amb6297768 [2,0,0,0,0,0|0,0,2]=4 896 B7R0.6 O=C(O)CCB(O)O Amb24640288 [2,0,0,0,0,0|1,0,1]=4 897 B7R0.6 O=C(O)CCC(=O)O Amb22168124 [2,0,0,0,0,0|0,0,0]=2 898 B7R0.6 O=C(O)CCC(=O)O Amb2792874 [2,0,0,0,0,0|0,0,0]=2 899 B7R0.6 O=C(O)CCP(O)O Amb27424479 [2,0,0,0,0,0|1,0,1]=4 900 B7R0.6 O=C(O)CCS(=O)O Amb27144832 [2,0,0,0,0,0|1,0,0]=3 901 B7R0.6 O=C(O)CC[N+](=O)[O-] Amb10843224 [2,0,0,0,0,0|1,0,1]=4 902 B7R0.6 O=C(O)CC[SH](=O)=O Amb27410689 [2,0,0,0,0,0|1,0,1]=4 903 B7R0.6 O=C(O)CNC(=O)S Amb27424662 [2,0,0,0,0,0|1,1,0]=4 904 B7R0.6 O=C(O)COC(=O)Cl Amb27199161 [2,0,0,0,0,0|2,0,0]=4 905 B7R0.6 O=C(O)\C=C/C(=O)O Amb2792876 [2,0,0,0,0,0|0,0,2]=4 906 B7R0.6 O=C(O)\C=C\C(=O)O Amb6608657 [2,0,0,0,0,0|0,0,2]=4 907 B7R0.6 O=C(O)\C=C\C(=O)O Amb8513055 [2,0,0,0,0,0|0,0,2]=4 908 B7R0.6 O=C([O-])CCC(=O)[O-] Amb33512742 [2,0,0,0,0,0|0,0,2]=4 909 B7R0.6 O=C([O-])CCC(=O)[O-] Amb8514379 [2,0,0,0,0,0|0,0,2]=4 910 B7R0.6 [BH3-]C(=O)NCC(=O)O Amb27478291 [2,0,0,0,0,0|2,0,0]=4 911 B9R0.6 CC(=O)C(O)C(O)CC=O Amb28050017 [1,1,0,0,0,0|1,0,0]=3 912 B9R0.6 CC(CC=O)C(C)C(=O)O Amb18644133 [1,1,0,0,0,0|2,0,0]=4 913 B9R0.6 CC(O)C(O)C(O)CC=O Amb4035622 [1,1,0,0,0,0|1,0,1]=4 914 B9R0.6 CC(OC=O)C(N)C(=O)O Amb27456598 [1,1,0,0,0,0|2,0,0]=4 915 B9R0.6 CCCC(O)C(O)C(=O)O Amb27772742 [1,1,0,0,0,0|1,0,1]=4 916 B9R0.6 CCCC(O)[C@@H](O)C(=O)O Amb27256644 [1,1,0,0,0,0|1,0,1]=4 917 B9R0.6 COCC(C)C(O)C(=O)O Amb27596283 [1,1,0,0,0,0|1,0,1]=4 918 B9R0.6 COCC(O)C(N)C(=O)O Amb25147551 [1,1,0,0,0,0|1,0,1]=4 919 B9R0.6 C[C@@H](O)[C@@H](O)[C@@H](O)CC=O Amb27873208 [1,1,0,0,0,0|1,0,1]=4 920 B9R0.6 C[C@@H](OC=O)[C@H](N)C(=O)O Amb27972267 [1,1,0,0,0,0|2,0,0]=4 921 B9R0.6 C[C@H](C(=O)O)[C@@H](C)OC=O Amb27391147 [1,1,0,0,0,0|2,0,0]=4 922 B9R0.6 C[C@H](O)[C@@H](O)[C@@H](O)CC=O Amb25679039 [1,1,0,0,0,0|1,0,1]=4 923 B9R0.6 C[C@H](O)[C@@H](O)[C@H](O)CC=O Amb27431946 [1,1,0,0,0,0|1,0,1]=4 924 B9R0.6 C[C@H](OC=O)[C@H](C)C(=O)O Amb27620887 [1,1,0,0,0,0|2,0,0]=4 925 B9R0.25 O=CC(Cl)C(O)S(=O)(=O)O Amb28385608 [1,1,0,0,0,0|2,0,0]=4 926 B9R0.27 C=CC(O)C(C)C(=O)OC Amb26398909 [1,1,0,0,0,0|2,0,0]=4 927 B9R0.27 C=CC(O)C(O)C(=O)OC Amb28139301 [1,1,0,0,0,0|1,0,0]=3 928 B9R0.27 C=C[C@@H](C)[C@H](O)C(=O)OC Amb27839535 [1,1,0,0,0,0|2,0,0]=4 929 B9R0.27 C=C[C@H](O)[C@H](C)C(=O)OC Amb28207288 [1,1,0,0,0,0|2,0,0]=4 930 B9R0.27 C=C[C@H](O)[C@H](O)C(=O)OC Amb27839364 [1,1,0,0,0,0|1,0,0]=3 931 B9R0.27 CC(CO)C(O)C(O)C=O Amb28430799 [1,1,0,0,0,0|1,0,1]=4 932 B9R0.27 CCC(=O)C(O)C(O)CO Amb27434229 [1,1,0,0,0,0|1,0,1]=4 933 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO Amb24647600 [1,1,0,0,0,0|1,0,1]=4 934 B9R0.27 CC[C@@H](O)[C@@H](O)[C@@H](O)C=O Amb28345011 [1,1,0,0,0,0|1,0,1]=4 935 B9R0.27 CC[C@@H](O)[C@H](O)C(=O)OC Amb28065109 [1,1,0,0,0,0|1,0,1]=4 936 B9R0.27 CC[C@H](O)[C@@H](O)C(=O)OC Amb27839536 [1,1,0,0,0,0|1,0,1]=4 937 B9R0.27 COC(=O)C(C)C(O)CO Amb27763921 [1,1,0,0,0,0|1,0,1]=4 938 B9R0.27 COC(=O)C(O)C(C)C=O Amb28126610 [1,1,0,0,0,0|1,0,0]=3 939 B9R0.27 COC(=O)C(O)C(O)CCl Amb28121926 [1,1,0,0,0,0|1,0,1]=4 940 B9R0.27 COC(=O)[C@@H](C)[C@@H](O)CO Amb27805350 [1,1,0,0,0,0|1,0,1]=4 941 B9R0.27 COC(=O)[C@@H](O)[C@H](O)CCl Amb28126702 [1,1,0,0,0,0|1,0,1]=4 942 B9R0.27 COC(=O)[C@H](O)[C@@H](O)CO Amb27839500 [1,1,0,0,0,0|0,0,1]=3 943 B9R0.27 C[C@H](CO)[C@@H](O)[C@H](O)C=O Amb27207777 [1,1,0,0,0,0|1,0,1]=4 944 B9R0.27 NC(CO)C(O)C(O)C=O Amb27837928 [1,1,0,0,0,0|1,0,1]=4 945 B9R0.27 O=C(CO)C(O)C(O)CBr Amb28325803 [1,1,0,0,0,0|1,0,1]=4 946 B9R0.27 O=C(CO)C(O)C(O)CCl Amb27596631 [1,1,0,0,0,0|1,0,1]=4 947 B9R0.27 O=C(CO)C(O)C(O)CO Amb25099014 [1,1,0,0,0,0|0,0,1]=3 948 B9R0.27 O=C(CO)C(O)C(O)CS Amb27861266 [1,1,0,0,0,0|0,1,1]=4 949 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CBr Amb27180827 [1,1,0,0,0,0|1,0,1]=4 950 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CCl Amb27961447 [1,1,0,0,0,0|1,0,1]=4 951 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO Amb6599969 [1,1,0,0,0,0|0,0,1]=3 952 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CF Amb28074784 [1,1,0,0,0,0|1,0,1]=4 953 B9R0.27 O=C(NO)[C@@H](O)[C@@H](O)CO Amb27652927 [1,1,0,0,0,0|0,0,1]=3 954 B9R0.27 O=C(NO)[C@H](O)[C@@H](O)CO Amb28189337 [1,1,0,0,0,0|0,0,1]=3 955 B9R0.27 O=C(NO)[C@H](O)[C@H](O)CO Amb27946842 [1,1,0,0,0,0|0,0,1]=3 956 B9R0.27 O=C(O[K])[C@H](O)[C@H](O)CO Amb8384042 [1,1,0,0,0,0|0,0,1]=3 957 B9R0.27 O=CC(=O)[C@@H](O)[C@@H](O)CO Amb27455044 [1,1,0,0,0,0|0,0,2]=4 958 B9R0.27 O=CC(=O)[C@@H](O)[C@H](O)CO Amb27635237 [1,1,0,0,0,0|0,0,2]=4 959 B9R0.27 O=CC(=O)[C@H](O)[C@H](O)CO Amb28077016 [1,1,0,0,0,0|0,0,2]=4 960 B9R0.27 O=CC(O)C(O)C(O)CO Amb9786761 [1,1,0,0,0,0|0,0,2]=4 961 B9R0.27 O=CC(O)C(O)C(O)CS Amb28365122 [1,1,0,0,0,0|0,1,1]=4 962 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@@H](O)C=O Amb27837983 [1,1,0,0,0,0|0,0,1]=3 963 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@@H](O)CO Amb8628489 [1,1,0,0,0,0|0,0,2]=4 964 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@H](O)CO Amb10807416 [1,1,0,0,0,0|0,0,2]=4 965 B9R0.27 O=C[C@@H](O)[C@H](O)[C@@H](O)C=O Amb28042878 [1,1,0,0,0,0|0,0,1]=3 966 B9R0.27 O=C[C@@H](O)[C@H](O)[C@@H](O)CO Amb3940879 [1,1,0,0,0,0|0,0,2]=4 967 B9R0.27 O=C[C@@H](O)[C@H](O)[C@H](O)CO Amb8628829 [1,1,0,0,0,0|0,0,2]=4 968 B9R0.27 O=C[C@H](O)C(O)C(O)CO Amb27759377 [1,1,0,0,0,0|0,0,2]=4 969 B9R0.27 O=C[C@H](O)[C@@H](O)[C@@H](O)CO Amb3940859 [1,1,0,0,0,0|0,0,2]=4 970 B9R0.27 O=C[C@H](O)[C@@H](O)[C@H](O)CO Amb10843531 [1,1,0,0,0,0|0,0,2]=4 971 B9R0.27 O=C[C@H](O)[C@@H](O)[C@H](O)CS Amb27838040 [1,1,0,0,0,0|0,1,1]=4 972 B9R0.27 O=C[C@H](O)[C@H](O)C(=O)CO Amb27837984 [1,1,0,0,0,0|0,0,0]=2 973 B9R0.27 O=C[C@H](O)[C@H](O)[C@@H](O)CO Amb25146279 [1,1,0,0,0,0|0,0,2]=4 974 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO Amb3940856 [1,1,0,0,0,0|0,0,2]=4 975 B9R0.28 C=CC(O)C(C)(C)C(=O)O Amb24568657 [1,1,0,0,0,0|2,0,0]=4 976 B9R0.28 C=C[C@@H](C)[C@@](C)(O)C(=O)O Amb27874076 [1,1,0,0,0,0|2,0,0]=4 977 B9R0.28 CC(N)(C(=O)O)C(O)CO Amb27393917 [1,1,0,0,0,0|1,0,1]=4 978 B9R0.28 CC(O)(C(=O)O)C(O)CN Amb27237582 [1,1,0,0,0,0|1,0,1]=4 979 B9R0.28 CC[C@H](O)[C@@](C)(O)C(=O)O Amb27221818 [1,1,0,0,0,0|1,0,1]=4 980 B9R0.28 C[C@@](O)(C(=O)O)[C@@H](O)CO Amb27823380 [1,1,0,0,0,0|0,0,1]=3 981 B9R0.28 C[C@@](O)(C(=O)O)[C@H](O)CO Amb27411591 [1,1,0,0,0,0|0,0,1]=3 982 B9R0.28 C[C@](O)(C(=O)O)[C@@H](O)CO Amb28289809 [1,1,0,0,0,0|0,0,1]=3 983 B9R0.28 C[C@](O)(C(=O)O)[C@H](O)CN Amb27623544 [1,1,0,0,0,0|1,0,1]=4 984 B9R0.29 C=C[C@@H](C)[C@H](OC)C(=O)O Amb27173620 [1,1,0,0,0,0|2,0,0]=4 985 B9R0.29 CCC(C(=O)O)N(O)C=O Amb27253538 [1,1,0,0,0,0|2,0,0]=4 986 B9R0.29 CCC(O)C(OC)C(=O)O Amb18644355 [1,1,0,0,0,0|1,0,1]=4 987 B9R0.29 CN(C=O)C(CO)C(=O)O Amb28325160 [1,1,0,0,0,0|2,0,0]=4 988 B9R0.29 COC(C(N)=O)C(O)CO Amb27794891 [1,1,0,0,0,0|1,0,1]=4 989 B9R0.32 CC(C)(CO)C(O)C(=O)O Amb18644357 [1,1,0,0,0,0|1,0,1]=4 990 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O Amb27815004 [1,1,0,0,0,0|1,0,1]=4 991 B9R0.32 CC(C)(CO)[C@H](O)C(=O)O Amb27397678 [1,1,0,0,0,0|1,0,1]=4 992 B9R0.32 CC(O)(C#N)C(O)C(=O)O Amb27596550 [1,1,0,0,0,0|1,0,1]=4 993 B9R0.32 CCC(C)(O)C(O)C(=O)O Amb27810824 [1,1,0,0,0,0|1,0,1]=4 994 B9R0.32 CC[C@](C)(O)[C@H](O)C(=O)O Amb27615052 [1,1,0,0,0,0|1,0,1]=4 995 B9R0.32 C[C@](O)(CN)[C@H](O)C(=O)O Amb25701236 [1,1,0,0,0,0|1,0,1]=4 996 B9R0.41 C=C[C@H](OC)[C@@H](C)C(=O)O Amb27411501 [1,1,0,0,0,0|2,0,0]=4 997 B9R0.41 CCC(OC)C(O)C(=O)O Amb25695288 [1,1,0,0,0,0|1,0,1]=4 998 B9R0.41 COC(CO)C(O)C(=O)O Amb27790653 [1,1,0,0,0,0|0,0,1]=3 999 B9R0.41 COC(CO)C(O)C(N)=O Amb28434693 [1,1,0,0,0,0|1,0,1]=4 1000 B9R0.41 COC(OC)C(O)C(=O)O Amb33342039 [1,1,0,0,0,0|2,0,0]=4 1001 B9R0.41 CO[C@H](CO)[C@@H](O)C(=O)O Amb28137968 [1,1,0,0,0,0|0,0,1]=3 1002 B9R0.41 N[C@H](C(=O)O)C(CO)CO Amb27655595 [1,1,0,0,0,0|1,0,1]=4 1003 B9R0.10 CC(CC(=O)O)S(=O)(=O)O Amb27634850 [1,1,0,0,0,0|2,0,0]=4 1004 B9R0.10 CP(=O)(O)C(N)CC(=O)O Amb27831332 [1,1,0,0,0,0|2,0,0]=4 1005 B9R0.10 C[C@H](CC(=O)O)P(=O)(O)O Amb27645396 [1,1,0,0,0,0|2,0,0]=4 1006 B9R0.11 C=C(C)CC(C)(O)C(=O)O Amb24763776 [1,1,0,0,0,0|2,0,0]=4 1007 B9R0.11 C=C(C)C[C@](C)(O)C(=O)O Amb27618953 [1,1,0,0,0,0|2,0,0]=4 1008 B9R0.11 CC(=O)C(C)(C)CC(=O)O Amb594714 [1,1,0,0,0,0|2,0,0]=4 1009 B9R0.11 CC(=O)CC(C)(C)C(=O)O Amb18644092 [1,1,0,0,0,0|2,0,0]=4 1010 B9R0.11 CC(=O)CC(C)(S)C(=O)O Amb27984551 [1,1,0,0,0,0|1,1,0]=4 1011 B9R0.11 CC(=O)C[C@](C)(O)C(=O)O Amb27170683 [1,1,0,0,0,0|1,0,0]=3 1012 B9R0.11 CC(C)(CC(=O)O)C(=O)Cl Amb27449457 [1,1,0,0,0,0|2,0,0]=4 1013 B9R0.11 CC(C)(CC(=O)O)C(=O)O Amb9787793 [1,1,0,0,0,0|1,0,0]=3 1014 B9R0.11 CC(Cl)(CC(=O)O)C(=O)O Amb18126463 [1,1,0,0,0,0|1,0,0]=3 1015 B9R0.11 CC(Cl)(CS(=O)O)C(=O)O Amb27781534 [1,1,0,0,0,0|2,0,0]=4 1016 B9R0.11 CC(N)(CC(=O)O)C(=O)O Amb10807406 [1,1,0,0,0,0|1,0,0]=3 1017 B9R0.11 CC(N)(CC(=O)O)[PH](=O)O Amb25701546 [1,1,0,0,0,0|2,0,0]=4 1018 B9R0.11 CC(N)(CC(N)=O)C(=O)O Amb28131361 [1,1,0,0,0,0|2,0,0]=4 1019 B9R0.11 CC(O)(CC(=O)O)C(=O)O Amb6366309 [1,1,0,0,0,0|0,0,0]=2 1020 B9R0.11 CN(O)CC(C)(O)C(=O)O Amb28349124 [1,1,0,0,0,0|2,0,0]=4 1021 B9R0.11 CS(=O)CC(C)(O)C(=O)O Amb27984742 [1,1,0,0,0,0|2,0,0]=4 1022 B9R0.11 C[C@@](N)(CC(N)=O)C(=O)O Amb22225025 [1,1,0,0,0,0|2,0,0]=4 1023 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O Amb10601663 [1,1,0,0,0,0|1,0,0]=3 1024 B9R0.11 C[C@](N)(CC(N)=O)C(=O)O Amb27195940 [1,1,0,0,0,0|2,0,0]=4 1025 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O Amb26398856 [1,1,0,0,0,0|0,0,0]=2 1026 B9R0.11 NC(=O)CC(N)(O)C(=O)O Amb27794741 [1,1,0,0,0,0|1,0,0]=3 1027 B9R0.11 NC(=O)C[C@@](N)(O)C(=O)O Amb28348701 [1,1,0,0,0,0|1,0,0]=3 1028 B9R0.11 O=C(O)CC(Cl)(Cl)C(=O)O Amb27971430 [1,1,0,0,0,0|1,0,0]=3 1029 B9R0.11 O=C(O)CC(F)(F)C(=O)O Amb2732193 [1,1,0,0,0,0|1,0,0]=3 1030 B9R0.23 C=C(C)CC(O)C(=O)OC Amb24464009 [1,1,0,0,0,0|2,0,0]=4 1031 B9R0.23 C=C(C)C[C@@H](O)C(=O)OC Amb27219810 [1,1,0,0,0,0|2,0,0]=4 1032 B9R0.23 C=C(CC(=O)O)C(=O)OC Amb4034427 [1,1,0,0,0,0|1,0,1]=4 1033 B9R0.23 C=CC(=O)N(O)CC(=O)O Amb27175200 [1,1,0,0,0,0|2,0,0]=4 1034 B9R0.23 CN(CC(=O)O)C(=O)CO Amb25848387 [1,1,0,0,0,0|2,0,0]=4 1035 B9R0.23 CNC(=O)C(N)CC(=O)O Amb18862479 [1,1,0,0,0,0|2,0,0]=4 1036 B9R0.23 COC(=O)C(Br)CC(=O)O Amb18656999 [1,1,0,0,0,0|1,0,0]=3 1037 B9R0.23 COC(=O)C(C)CC(=O)O Amb18644248 [1,1,0,0,0,0|1,0,0]=3 1038 B9R0.23 COC(=O)C(C)CC(C)=O Amb27465860 [1,1,0,0,0,0|2,0,0]=4 1039 B9R0.23 COC(=O)C(C)C[PH](=O)O Amb27826336 [1,1,0,0,0,0|2,0,0]=4 1040 B9R0.23 COC(=O)C(Cl)CC(=O)O Amb27589899 [1,1,0,0,0,0|1,0,0]=3 1041 B9R0.23 COC(=O)C(F)CC(=O)O Amb27837974 [1,1,0,0,0,0|1,0,0]=3 1042 B9R0.23 COC(=O)C(N)CC(=O)O Amb18644309 [1,1,0,0,0,0|1,0,0]=3 1043 B9R0.23 COC(=O)C(N)CC(C)=O Amb25367296 [1,1,0,0,0,0|2,0,0]=4 1044 B9R0.23 COC(=O)C(N)CC(N)=O Amb16243083 [1,1,0,0,0,0|2,0,0]=4 1045 B9R0.23 COC(=O)C(N)CC(N)=O Amb17601698 [1,1,0,0,0,0|2,0,0]=4 1046 B9R0.23 COC(=O)C(O)CC(=O)O Amb17615865 [1,1,0,0,0,0|0,0,0]=2 1047 B9R0.23 COC(=O)C(O)CC(N)=O Amb27655536 [1,1,0,0,0,0|1,0,0]=3 1048 B9R0.23 COC(=O)N(C)CC(=O)O Amb6668732 [1,1,0,0,0,0|2,0,0]=4 1049 B9R0.23 COC(=O)[C@@H](Br)CC(N)=O Amb27789593 [1,1,0,0,0,0|2,0,0]=4 1050 B9R0.23 COC(=O)[C@@H](F)CC(=O)O Amb27406311 [1,1,0,0,0,0|1,0,0]=3 1051 B9R0.23 COC(=O)[C@@H](N)CC(=O)O Amb22746069 [1,1,0,0,0,0|1,0,0]=3 1052 B9R0.23 COC(=O)[C@@H](N)CC(=O)O Amb8390387 [1,1,0,0,0,0|1,0,0]=3 1053 B9R0.23 COC(=O)[C@@H](N)CC(=O)[O-] Amb22231950 [1,1,0,0,0,0|1,0,1]=4 1054 B9R0.23 COC(=O)[C@@H](N)CC(N)=O Amb8390381 [1,1,0,0,0,0|2,0,0]=4 1055 B9R0.23 COC(=O)[C@@H](O)CC(=O)O Amb17615867 [1,1,0,0,0,0|0,0,0]=2 1056 B9R0.23 COC(=O)[C@H](C)CC(=O)Cl Amb28050543 [1,1,0,0,0,0|2,0,0]=4 1057 B9R0.23 COC(=O)[C@H](C)CC(=O)O Amb24561954 [1,1,0,0,0,0|1,0,0]=3 1058 B9R0.23 COC(=O)[C@H](Cl)CC(=O)O Amb27232518 [1,1,0,0,0,0|1,0,0]=3 1059 B9R0.23 COC(=O)[C@H](N)CC(=O)O Amb19944281 [1,1,0,0,0,0|1,0,0]=3 1060 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb19883963 [1,1,0,0,0,0|2,0,0]=4 1061 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb27597987 [1,1,0,0,0,0|2,0,0]=4 1062 B9R0.23 COC(=O)[C@H](O)CC(=O)O Amb17615866 [1,1,0,0,0,0|0,0,0]=2 1063 B9R0.23 COC(=O)[C@H](O)CC(N)=O Amb27623997 [1,1,0,0,0,0|1,0,0]=3 1064 B9R0.23 C\C(=N/O)C(O)CC(=O)O Amb27223478 [1,1,0,0,0,0|1,0,0]=3 1065 B9R0.23 NNC(=O)C(N)CC(=O)O Amb26438038 [1,1,0,0,0,0|2,0,0]=4 1066 B9R0.23 NNC(=O)C(N)CC(=O)O Amb35750707 [1,1,0,0,0,0|2,0,0]=4 1067 B9R0.23 N[C@H](CC(=O)O)C(=O)NO Amb27413035 [1,1,0,0,0,0|1,0,0]=3 1068 B9R0.23 O=C(O)CC(Br)C(=O)CBr Amb15772353 [1,1,0,0,0,0|2,0,0]=4 1069 B9R0.23 O=C(O)CC(S)C(=O)CS Amb27758589 [1,1,0,0,0,0|0,2,0]=4 1070 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO Amb24726353 [1,1,0,0,0,0|0,0,2]=4 1071 B9R0.39 C=C(C)CC(OC)C(=O)O Amb26386702 [1,1,0,0,0,0|2,0,0]=4 1072 B9R0.39 CC(=O)CC(C=O)C(=O)O Amb28048038 [1,1,0,0,0,0|1,0,1]=4 1073 B9R0.39 CC(=O)NC(CO)C(=O)O Amb1115493 [1,1,0,0,0,0|2,0,0]=4 1074 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O Amb22746917 [1,1,0,0,0,0|2,0,0]=4 1075 B9R0.39 CCC(CC(=O)O)C(=O)O Amb10071696 [1,1,0,0,0,0|1,0,0]=3 1076 B9R0.39 CCC(CC(C)=O)C(=O)O Amb18644109 [1,1,0,0,0,0|2,0,0]=4 1077 B9R0.39 CC[C@@H](CC(=O)O)C(=O)O Amb27830576 [1,1,0,0,0,0|1,0,0]=3 1078 B9R0.39 CC[C@H](CC(=O)O)C(=O)O Amb24643194 [1,1,0,0,0,0|1,0,0]=3 1079 B9R0.39 CNC(CC(=O)O)C(=O)O Amb1905634 [1,1,0,0,0,0|1,0,0]=3 1080 B9R0.39 CNC(CC(=O)O)C(=O)O Amb30867747 [1,1,0,0,0,0|1,0,0]=3 1081 B9R0.39 CNC(CC(=O)O)C(C)=O Amb18611382 [1,1,0,0,0,0|2,0,0]=4 1082 B9R0.39 CNC(CC(N)=O)C(=O)O Amb18644255 [1,1,0,0,0,0|2,0,0]=4 1083 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O Amb3499450 [1,1,0,0,0,0|1,0,0]=3 1084 B9R0.39 CN[C@H](CC(=O)O)C(=O)O Amb8515692 [1,1,0,0,0,0|1,0,0]=3 1085 B9R0.39 CN[C@H](CC(N)=O)C(=O)O Amb28049962 [1,1,0,0,0,0|2,0,0]=4 1086 B9R0.39 COC(CC(=O)O)C(C)=O Amb27952022 [1,1,0,0,0,0|1,0,0]=3 1087 B9R0.39 COC(CC(=O)O)C(N)=O Amb23536075 [1,1,0,0,0,0|1,0,0]=3 1088 B9R0.39 CO[C@H](CC(=O)O)C(=O)O Amb27849552 [1,1,0,0,0,0|0,0,0]=2 1089 B9R0.39 CSC(CC(=O)O)C(=O)O Amb18646024 [1,1,0,0,0,0|0,1,0]=3 1090 B9R0.39 C\C=C(/CC(=O)O)C(=O)O Amb8631758 [1,1,0,0,0,0|1,0,1]=4 1091 B9R0.39 C\C=C(\CC(=O)O)C(=O)O Amb25292254 [1,1,0,0,0,0|1,0,1]=4 1092 B9R0.39 N=CC(CC(=O)O)C(=O)O Amb27653604 [1,1,0,0,0,0|1,0,0]=3 1093 B9R0.39 NC(=O)CC(CO)C(=O)O Amb28411495 [1,1,0,0,0,0|1,0,0]=3 1094 B9R0.39 NC(=O)CC(NO)C(=O)O Amb27168203 [1,1,0,0,0,0|1,0,0]=3 1095 B9R0.39 NC(=O)C[C@H](NO)C(=O)O Amb28364297 [1,1,0,0,0,0|1,0,0]=3 1096 B9R0.39 NC(=O)NC(CO)C(=O)O Amb1055147 [1,1,0,0,0,0|2,0,0]=4 1097 B9R0.39 NCC(CC(=O)O)C(=O)O Amb22546423 [1,1,0,0,0,0|1,0,0]=3 1098 B9R0.39 NCC(CC(=O)O)C(=O)O Amb24538047 [1,1,0,0,0,0|1,0,0]=3 1099 B9R0.39 NNC(CC(=O)O)C(=O)O Amb28070991 [1,1,0,0,0,0|1,0,0]=3 1100 B9R0.39 NN[C@@H](CC(=O)O)C(=O)O Amb24117193 [1,1,0,0,0,0|1,0,0]=3 1101 B9R0.39 N\C=C(\CC(=O)O)C(=O)O Amb28050321 [1,1,0,0,0,0|1,0,1]=4 1102 B9R0.39 O=C(O)CC(CBr)C(=O)O Amb22752144 [1,1,0,0,0,0|1,0,0]=3 1103 B9R0.39 O=C(O)CC(CF)C(=O)O Amb33379249 [1,1,0,0,0,0|1,0,0]=3 1104 B9R0.39 O=C(O)CC(NCl)C(=O)O Amb27953217 [1,1,0,0,0,0|1,0,0]=3 1105 B9R0.39 O=C(O)CC(NO)C(=O)O Amb24685872 [1,1,0,0,0,0|0,0,0]=2 1106 B9R0.39 O=C(O)CC(NS)C(=O)O Amb25808901 [1,1,0,0,0,0|0,1,0]=3 1107 B9R0.39 O=C(O)C[C@H](NCl)C(=O)O Amb27401859 [1,1,0,0,0,0|1,0,0]=3 1108 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24117497 [1,1,0,0,0,0|0,0,0]=2 1109 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24630025 [1,1,0,0,0,0|0,0,0]=2 1110 B9R0.39 O=C(O)C\C(=N/O)C(=O)O Amb24117074 [1,1,0,0,0,0|0,0,1]=3 1111 B9R0.39 O=C(O)C\C(=N\O)C(=O)O Amb27828721 [1,1,0,0,0,0|0,0,1]=3 1112 B9R0.42 C=C(C)C(O)CC(=O)OC Amb27839501 [1,1,0,0,0,0|2,0,0]=4 1113 B9R0.42 C=C(C)[C@@H](O)CC(=O)OC Amb33199529 [1,1,0,0,0,0|2,0,0]=4 1114 B9R0.42 C=C(C)[C@H](O)CC(=O)OC Amb33199525 [1,1,0,0,0,0|2,0,0]=4 1115 B9R0.42 C=C(CC(=O)OC)C(=O)O Amb4035034 [1,1,0,0,0,0|1,0,1]=4 1116 B9R0.42 C=C(Cl)C(O)CC(=O)OC Amb28050635 [1,1,0,0,0,0|2,0,0]=4 1117 B9R0.42 C=CC(=O)NC(O)C(=O)O Amb3940875 [1,1,0,0,0,0|2,0,0]=4 1118 B9R0.42 C=CC(=O)NC(O)C(=O)O Amb9790819 [1,1,0,0,0,0|2,0,0]=4 1119 B9R0.42 CC(=O)C(O)CC(=O)C=O Amb27480852 [1,1,0,0,0,0|1,0,1]=4 1120 B9R0.42 CC(CC(=O)CCl)C(=O)O Amb24585160 [1,1,0,0,0,0|2,0,0]=4 1121 B9R0.42 CC(O)C(O)CC(=O)CO Amb27615146 [1,1,0,0,0,0|1,0,1]=4 1122 B9R0.42 CCC(=O)CC(N)C(=O)O Amb22546324 [1,1,0,0,0,0|2,0,0]=4 1123 B9R0.42 CCC(=O)CC(N)C(=O)O Amb24479073 [1,1,0,0,0,0|2,0,0]=4 1124 B9R0.42 CCC(=O)CC(O)C(=O)O Amb27655574 [1,1,0,0,0,0|1,0,0]=3 1125 B9R0.42 CCC(=O)C[C@@H](N)C(=O)O Amb26061186 [1,1,0,0,0,0|2,0,0]=4 1126 B9R0.42 CCC(=O)C[C@H](N)C(=O)O Amb24479266 [1,1,0,0,0,0|2,0,0]=4 1127 B9R0.42 CCC(O)CC(O)C(=O)O Amb28050169 [1,1,0,0,0,0|1,0,1]=4 1128 B9R0.42 CCS(=O)CC(O)C(=O)O Amb28342085 [1,1,0,0,0,0|2,0,0]=4 1129 B9R0.42 CNC(=O)CC(N)C(=O)O Amb27839034 [1,1,0,0,0,0|2,0,0]=4 1130 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O Amb20240891 [1,1,0,0,0,0|2,0,0]=4 1131 B9R0.42 COC(=O)CC(=O)C(=O)O Amb22728219 [1,1,0,0,0,0|0,0,2]=4 1132 B9R0.42 COC(=O)CC(Br)C(=O)O Amb18656998 [1,1,0,0,0,0|1,0,0]=3 1133 B9R0.42 COC(=O)CC(Br)C(C)=O Amb17403794 [1,1,0,0,0,0|2,0,0]=4 1134 B9R0.42 COC(=O)CC(Br)C(N)=O Amb27969234 [1,1,0,0,0,0|2,0,0]=4 1135 B9R0.42 COC(=O)CC(C)C(=O)Cl Amb27972299 [1,1,0,0,0,0|2,0,0]=4 1136 B9R0.42 COC(=O)CC(C)C(=O)O Amb18644239 [1,1,0,0,0,0|1,0,0]=3 1137 B9R0.42 COC(=O)CC(C)C(=O)[O-] Amb34915052 [1,1,0,0,0,0|1,0,1]=4 1138 B9R0.42 COC(=O)CC(Cl)C(=O)O Amb32941126 [1,1,0,0,0,0|1,0,0]=3 1139 B9R0.42 COC(=O)CC(Cl)C(C)=O Amb25061154 [1,1,0,0,0,0|2,0,0]=4 1140 B9R0.42 COC(=O)CC(N)C(=O)O Amb22489498 [1,1,0,0,0,0|1,0,0]=3 1141 B9R0.42 COC(=O)CC(N)C(=O)O Amb7172558 [1,1,0,0,0,0|1,0,0]=3 1142 B9R0.42 COC(=O)CC(N)C(=O)O Amb8390391 [1,1,0,0,0,0|1,0,0]=3 1143 B9R0.42 COC(=O)CC(O)C(=O)O Amb25786182 [1,1,0,0,0,0|0,0,0]=2 1144 B9R0.42 COC(=O)CC(O)C(C)O Amb27969056 [1,1,0,0,0,0|1,0,1]=4 1145 B9R0.42 COC(=O)CC(O)C(N)=O Amb27830345 [1,1,0,0,0,0|1,0,0]=3 1146 B9R0.42 COC(=O)CC(O)[C@H](C)O Amb27455910 [1,1,0,0,0,0|1,0,1]=4 1147 B9R0.42 COC(=O)C[C@@H](C)C(=O)O Amb3939892 [1,1,0,0,0,0|1,0,0]=3 1148 B9R0.42 COC(=O)C[C@@H](C)C(C)=O Amb26846867 [1,1,0,0,0,0|2,0,0]=4 1149 B9R0.42 COC(=O)C[C@@H](C)C(N)=O Amb27169355 [1,1,0,0,0,0|2,0,0]=4 1150 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb22745861 [1,1,0,0,0,0|1,0,0]=3 1151 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb8385327 [1,1,0,0,0,0|1,0,0]=3 1152 B9R0.42 COC(=O)C[C@@H](O)C(=O)O Amb23603858 [1,1,0,0,0,0|0,0,0]=2 1153 B9R0.42 COC(=O)C[C@H](Br)C(=O)O Amb26619839 [1,1,0,0,0,0|1,0,0]=3 1154 B9R0.42 COC(=O)C[C@H](C)C(=O)O Amb26967622 [1,1,0,0,0,0|1,0,0]=3 1155 B9R0.42 COC(=O)C[C@H](C)C(C)=O Amb26873807 [1,1,0,0,0,0|2,0,0]=4 1156 B9R0.42 COC(=O)C[C@H](N)C(=O)O Amb8629121 [1,1,0,0,0,0|1,0,0]=3 1157 B9R0.42 COC(=O)C[C@H](O)C(=O)O Amb25367304 [1,1,0,0,0,0|0,0,0]=2 1158 B9R0.42 COC(=O)C[C@H](O)C(N)=O Amb28120921 [1,1,0,0,0,0|1,0,0]=3 1159 B9R0.42 COC(=O)C[C@H](O)[C@H](C)O Amb28069717 [1,1,0,0,0,0|1,0,1]=4 1160 B9R0.42 COC(=O)NC(C)C(=O)O Amb6668789 [1,1,0,0,0,0|2,0,0]=4 1161 B9R0.42 COC(=O)N[C@@H](C)C(=O)O Amb24477985 [1,1,0,0,0,0|2,0,0]=4 1162 B9R0.42 COC(=O)N[C@H](C)C(=O)O Amb24381066 [1,1,0,0,0,0|2,0,0]=4 1163 B9R0.42 COC(C)CC(O)C(=O)O Amb33353368 [1,1,0,0,0,0|1,0,1]=4 1164 B9R0.42 NC(CC(=O)CI)C(=O)O Amb27803464 [1,1,0,0,0,0|2,0,0]=4 1165 B9R0.42 NC(CC(=O)CO)C(=O)O Amb18644310 [1,1,0,0,0,0|1,0,0]=3 1166 B9R0.42 NC(CC(=O)NO)C(=O)O Amb22349932 [1,1,0,0,0,0|1,0,0]=3 1167 B9R0.42 NC(CC(O)C=O)C(=O)O Amb28126784 [1,1,0,0,0,0|1,0,1]=4 1168 B9R0.42 NCC(O)CC(O)C(=O)O Amb27170737 [1,1,0,0,0,0|1,0,1]=4 1169 B9R0.42 NC[C@H](O)CC(O)C(=O)O Amb27590744 [1,1,0,0,0,0|1,0,1]=4 1170 B9R0.42 NNC(=O)C[C@H](N)C(=O)O Amb24680907 [1,1,0,0,0,0|2,0,0]=4 1171 B9R0.42 N[C@@H](CC(=O)CCl)C(=O)O Amb27168692 [1,1,0,0,0,0|2,0,0]=4 1172 B9R0.42 N[C@@H](CC(=O)CI)C(=O)O Amb27248631 [1,1,0,0,0,0|2,0,0]=4 1173 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O Amb28050099 [1,1,0,0,0,0|1,0,0]=3 1174 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O Amb28320876 [1,1,0,0,0,0|1,0,0]=3 1175 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O Amb17607759 [1,1,0,0,0,0|2,0,0]=4 1176 B9R0.42 N[C@H](CN(O)N=O)C(=O)O Amb27976802 [1,1,0,0,0,0|2,0,0]=4 1177 B9R0.42 O=C(CBr)C[C@H](O)C(=O)O Amb27876238 [1,1,0,0,0,0|1,0,0]=3 1178 B9R0.42 O=C(CCl)NC(O)C(=O)O Amb27598875 [1,1,0,0,0,0|2,0,0]=4 1179 B9R0.42 O=C(O)C(O)C[C@H](O)CO Amb27984868 [1,1,0,0,0,0|0,0,2]=4 1180 B9R0.57 CC(C)(O)CC(O)C(=O)O Amb27953570 [1,1,0,0,0,0|1,0,1]=4 1181 B9R0.57 CC(C)(O)C[C@@H](O)C(=O)O Amb27254266 [1,1,0,0,0,0|1,0,1]=4 1182 B9R0.57 CC(CP(=O)(O)O)C(=O)O Amb27878703 [1,1,0,0,0,0|2,0,0]=4 1183 B9R0.57 CP(=O)(O)CC(N)C(=O)O Amb27770381 [1,1,0,0,0,0|2,0,0]=4 1184 B9R0.57 CS(=O)(=O)CC(O)C(=O)O Amb24398186 [1,1,0,0,0,0|1,0,1]=4 1185 B9R0.57 NC(CP(=O)(O)O)C(=O)O Amb542762 [1,1,0,0,0,0|2,0,0]=4 1186 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Amb2698240 [1,1,0,0,0,0|2,0,0]=4 1187 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O Amb2719731 [1,1,0,0,0,0|2,0,0]=4 1188 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb17942867 [1,1,0,0,0,0|2,0,0]=4 1189 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb3940873 [1,1,0,0,0,0|2,0,0]=4 1190 B9R0.57 N[C@H](CP(=O)(O)O)C(=O)O Amb8515685 [1,1,0,0,0,0|2,0,0]=4 1191 B9R0.57 O=C(O)C(O)CP(=O)(O)O Amb27166079 [1,1,0,0,0,0|1,0,0]=3 1192 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Amb20247567 [1,1,0,0,0,0|1,0,0]=3 1193 B11R0.52 CC(C)(C(=O)O)C(O)CC(=O)O Amb33548094 [0,1,0,0,0,1|1,0,0]=3 1194 B11R0.206 O=C(O)C(=O)\C(O)=C(/O)C(=O)O Amb27831355 [0,1,0,0,0,1|0,0,2]=4 1195 B11R0.206 O=C(O)C(O)C(O)C(O)C(=O)O Amb533010 [0,1,0,0,0,1|0,0,0]=2 1196 B11R0.117 COC(=O)C(C)CC(C)C(=O)O Amb18647808 [0,1,0,0,0,1|2,0,0]=4 1197 B11R0.169 CC(SC(C)(C)C(=O)O)C(=O)O Amb17501629 [0,1,0,0,0,1|2,0,0]=4 1198 B11R0.169 NC(CC(F)(F)C(=O)O)C(=O)O Amb16185493 [0,1,0,0,0,1|2,0,0]=4 1199 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 1200 B11R0.275 CCC(CC(N)C(=O)O)C(=O)O Amb4006858 [0,1,0,0,0,1|2,0,0]=4 1201 B11R0.275 CCC(SC(C)C(=O)O)C(=O)O Amb17501326 [0,1,0,0,0,1|2,0,0]=4 1202 B11R0.58 CCOC(=O)C(O)C(C)C(C)=O Amb28963335 [0,2,0,0,0,0|2,0,0]=4 1203 B11R0.66 CNC(=O)C(O)C(O)C(=O)NC Amb1144477 [0,2,0,0,0,0|2,0,0]=4 1204 B11R0.66 CNC(=O)[C@@H](O)[C@@H](O)C(=O)NC Amb28252357 [0,2,0,0,0,0|2,0,0]=4 1205 B11R0.66 COC(=O)C(Br)C(Br)C(=O)OC Amb2721198 [0,2,0,0,0,0|2,0,0]=4 1206 B11R0.66 COC(=O)C(O)C(O)C(=O)OC Amb1781465 [0,2,0,0,0,0|0,0,0]=2 1207 B11R0.66 COC(=O)[C@@H](O)[C@@H](O)C(=O)OC Amb22747698 [0,2,0,0,0,0|0,0,0]=2 1208 B11R0.66 COC(=O)[C@@H](O)[C@H](O)C(=O)OC Amb8627724 [0,2,0,0,0,0|0,0,0]=2 1209 B11R0.66 COC(=O)[C@H](F)[C@H](Br)C(=O)OC Amb22735469 [0,2,0,0,0,0|2,0,0]=4 1210 B11R0.66 COC(=O)[C@H](O)[C@@H](O)C(=O)OC Amb533028 [0,2,0,0,0,0|0,0,0]=2 1211 B11R0.66 COC(=O)\C(O)=C(\O)C(=O)OC Amb2612453 [0,2,0,0,0,0|0,0,2]=4 1212 B11R0.66 NNC(=O)C(O)C(O)C(=O)NN Amb2704470 [0,2,0,0,0,0|2,0,0]=4 1213 B11R0.66 NNC(=O)[C@H](O)[C@@H](O)C(=O)NN Amb25368294 [0,2,0,0,0,0|2,0,0]=4 1214 B11R0.66 N[C@@H](C(=O)NO)[C@H](Cl)C(=O)NO Amb28458357 [0,2,0,0,0,0|2,0,0]=4 1215 B11R0.66 O=C(CO)C(O)C(O)C(O)CO Amb4006821 [0,2,0,0,0,0|0,0,2]=4 1216 B11R0.66 O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)CO Amb6298388 [0,2,0,0,0,0|0,0,2]=4 1217 B11R0.66 O=C(CO)[C@@H](O)[C@H](O)[C@@H](O)CO Amb10838112 [0,2,0,0,0,0|0,0,2]=4 1218 B11R0.66 O=C(CO)[C@@H](O)[C@H](O)[C@H](O)CO Amb22230516 [0,2,0,0,0,0|0,0,2]=4 1219 B11R0.66 O=C(CO)[C@@H](O)[C@H](O)[C@H](O)CO Amb6600019 [0,2,0,0,0,0|0,0,2]=4 1220 B11R0.66 O=C(CO)[C@H](O)[C@@H](O)[C@H](O)CO Amb22230608 [0,2,0,0,0,0|0,0,2]=4 1221 B11R0.66 O=C(CO)[C@H](O)[C@H](O)[C@@H](O)CO Amb30627811 [0,2,0,0,0,0|0,0,2]=4 1222 B11R0.66 O=C(NO)C(O)C(O)C(=O)NO Amb27853473 [0,2,0,0,0,0|0,0,0]=2 1223 B11R0.44 CCCC(C(=O)O)C(O)C(=O)O Amb33041388 [0,2,0,0,0,0|1,0,0]=3 1224 B11R0.296 O=C(O)C(=N\O)\C(=N/O)C(=O)O Amb27392341 [0,2,0,0,0,0|0,0,2]=4 1225 B11R0.317 CC(C)C(C(=O)O)C(O)C(=O)O Amb18647942 [0,2,0,0,0,0|1,0,0]=3 1226 B11R0.317 CC(C)[C@H](C(=O)O)[C@H](O)C(=O)O Amb24117453 [0,2,0,0,0,0|1,0,0]=3 1227 B11R0.198 CC(=O)C(C)(O)C(C)(O)C(C)=O Amb17594380 [0,2,0,0,0,0|2,0,0]=4 1228 B11R0.198 CC(C)(C(=O)O)C(C)(C)C(=O)O Amb3428487 [0,2,0,0,0,0|2,0,0]=4 1229 B11R0.198 CC(C)(C(=O)O)C(C)(O)C(=O)O Amb28365746 [0,2,0,0,0,0|1,0,0]=3 1230 B11R0.198 CC(C)(C(=O)O)C(Cl)(Cl)C(=O)O Amb27389339 [0,2,0,0,0,0|2,0,0]=4 1231 B11R0.198 C[C@](O)(C(=O)O)[C@@](C)(O)C(=O)O Amb27865658 [0,2,0,0,0,0|0,0,0]=2 1232 B11R0.198 O=C(O)C(F)(F)C(F)(Cl)C(=O)O Amb22411294 [0,2,0,0,0,0|2,0,0]=4 1233 B11R0.198 O=C(O)C(F)(F)C(F)(F)C(=O)O Amb2690543 [0,2,0,0,0,0|2,0,0]=4 1234 B11R0.198 O=C(O)C(O)(Cl)C(O)(Cl)C(=O)O Amb28241404 [0,2,0,0,0,0|0,0,0]=2 1235 B11R0.198 O=C(O)C(O)(O)C(F)(F)C(=O)O Amb27955180 [0,2,0,0,0,0|1,0,0]=3 1236 B11R0.198 O=C(O)C(O)(O)C(O)(O)C(=O)O Amb22168362 [0,2,0,0,0,0|0,0,0]=2 1237 B9R1.37 CC1=C(O)C(O)C(=O)O1 Amb25769590 [1,0,0,1,0,0|1,0,1]=4 1238 B9R1.37 CC1=CC(=O)C(O)C1O Amb27838677 [1,0,0,1,0,0|2,0,0]=4 1239 B9R1.37 CC1C(=O)OC(=O)C1C Amb27266073 [1,0,0,1,0,0|2,0,0]=4 1240 B9R1.37 CC1C(=O)OC(=O)[C@H]1N Amb27664717 [1,0,0,1,0,0|2,0,0]=4 1241 B9R1.37 C[C@@H]1OC(=O)[C@@H](O)[C@@H]1O Amb27857584 [1,0,0,1,0,0|1,0,1]=4 1242 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@@H]1O Amb25327544 [1,0,0,1,0,0|1,0,1]=4 1243 B9R1.37 C[C@@H]1OC(=O)[C@H](O)[C@H]1O Amb24714713 [1,0,0,1,0,0|1,0,1]=4 1244 B9R1.37 C[C@H]1C(=O)CC(=O)[C@H]1O Amb28074639 [1,0,0,1,0,0|2,0,0]=4 1245 B9R1.37 C[C@H]1OC(=O)[C@@H](O)[C@@H]1O Amb27438513 [1,0,0,1,0,0|1,0,1]=4 1246 B9R1.37 C[C@H]1OC(=O)[C@@H](O)[C@H]1O Amb27640250 [1,0,0,1,0,0|1,0,1]=4 1247 B9R1.37 C[C@H]1OC(=O)[C@H](O)[C@@H]1O Amb27642097 [1,0,0,1,0,0|1,0,1]=4 1248 B9R1.37 C[C@H]1OC(=O)[C@H](O)[C@H]1O Amb27432207 [1,0,0,1,0,0|1,0,1]=4 1249 B9R1.37 O=C1CC(=O)C(O)C1O Amb27263013 [1,0,0,1,0,0|1,0,0]=3 1250 B9R1.37 O=C1CC(O)C(O)C1O Amb28054442 [1,0,0,1,0,0|1,0,1]=4 1251 B9R1.37 O=C1NC(=O)C(O)C1O Amb27845569 [1,0,0,1,0,0|1,0,0]=3 1252 B9R1.37 O=C1OC(=O)C(F)C1F Amb27180807 [1,0,0,1,0,0|2,0,0]=4 1253 B9R1.37 O=C1OC(=O)[C@@H](Cl)[C@@H]1Cl Amb27261509 [1,0,0,1,0,0|2,0,0]=4 1254 B9R1.37 O=C1OC(O)C(O)C1O Amb24419120 [1,0,0,1,0,0|0,0,1]=3 1255 B9R1.41 O=C(O)C1COCC1O Amb27270738 [1,0,0,1,0,0|1,0,1]=4 1256 B9R1.45 C=C1CC1C(O)C(=O)O Amb27816361 [1,0,0,1,0,0|2,0,0]=4 1257 B9R1.45 C=C1C[C@@H]1C(O)C(=O)O Amb28410295 [1,0,0,1,0,0|2,0,0]=4 1258 B9R1.55 NC1C(=O)NC1C(=O)O Amb25871338 [1,0,0,1,0,0|2,0,0]=4 1259 B9R1.110 O=C(O)C(O)C1COC1 Amb26860151 [1,0,0,1,0,0|1,0,1]=4 1260 B9R1.132 O=C1OCC(CO)C1O Amb27197070 [1,0,0,1,0,0|1,0,1]=4 1261 B9R1.132 O=CC1OCC(O)C1O Amb27256563 [1,0,0,1,0,0|1,0,1]=4 1262 B9R1.132 O=C[C@@H]1OC[C@@H](O)[C@H]1O Amb27629808 [1,0,0,1,0,0|1,0,1]=4 1263 B9R1.132 O=C[C@@H]1OC[C@H](O)[C@@H]1O Amb28457584 [1,0,0,1,0,0|1,0,1]=4 1264 B9R1.35 CC(=O)[C@H]1COC(=O)C1 Amb18832647 [1,0,0,1,0,0|2,0,0]=4 1265 B9R1.35 CC1=NOC(C(=O)O)C1 Amb7088977 [1,0,0,1,0,0|2,0,0]=4 1266 B9R1.35 CC1=NO[C@H](C(=O)O)C1 Amb25189709 [1,0,0,1,0,0|2,0,0]=4 1267 B9R1.35 O=C(O)C1CC(Br)=NO1 Amb26852251 [1,0,0,1,0,0|2,0,0]=4 1268 B9R1.35 O=C(O)C1CC(O)CO1 Amb18642869 [1,0,0,1,0,0|1,0,1]=4 1269 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CO1 Amb28287549 [1,0,0,1,0,0|1,0,1]=4 1270 B9R1.35 O=C1C=CC(C(=O)O)C1 Amb26002884 [1,0,0,1,0,0|2,0,0]=4 1271 B9R1.35 O=C1CC(C(=O)O)=CO1 Amb3499387 [1,0,0,1,0,0|1,0,1]=4 1272 B9R1.35 O=C1CC(C(=O)O)CN1 Amb33545000 [1,0,0,1,0,0|2,0,0]=4 1273 B9R1.35 O=C1CC(C(=O)O)CO1 Amb22642307 [1,0,0,1,0,0|1,0,0]=3 1274 B9R1.35 O=C1CC(C(=O)O)CS1 Amb10073724 [1,0,0,1,0,0|1,1,0]=4 1275 B9R1.35 O=C1CC(C(=O)O)NN1 Amb18642739 [1,0,0,1,0,0|2,0,0]=4 1276 B9R1.35 O=C1CCC(C(=O)O)C1 Amb2695400 [1,0,0,1,0,0|2,0,0]=4 1277 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Amb27254141 [1,0,0,1,0,0|2,0,0]=4 1278 B9R1.35 O=C1CC[C@H](C(=O)O)C1 Amb22746923 [1,0,0,1,0,0|2,0,0]=4 1279 B9R1.35 O=C1CNC(C(=O)O)C1 Amb30625211 [1,0,0,1,0,0|2,0,0]=4 1280 B9R1.35 O=C1CNC(C(=O)O)C1 Amb8386094 [1,0,0,1,0,0|2,0,0]=4 1281 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb22747440 [1,0,0,1,0,0|2,0,0]=4 1282 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb8628977 [1,0,0,1,0,0|2,0,0]=4 1283 B9R1.35 O=C1COC(C(=O)O)C1 Amb32651713 [1,0,0,1,0,0|1,0,0]=3 1284 B9R1.35 O=C1CSC(C(=O)O)C1 Amb24061425 [1,0,0,1,0,0|1,1,0]=4 1285 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 Amb23439643 [1,0,0,1,0,0|2,0,0]=4 1286 B9R1.35 O=C1C[C@@H](C(=O)O)CO1 Amb27253217 [1,0,0,1,0,0|1,0,0]=3 1287 B9R1.35 O=C1C[C@H](C(=O)O)CN1 Amb25946886 [1,0,0,1,0,0|2,0,0]=4 1288 B9R1.35 O=C1NC(C(=O)O)CO1 Amb15701690 [1,0,0,1,0,0|2,0,0]=4 1289 B9R1.35 O=C1N[C@@H](C(=O)O)CO1 Amb24340149 [1,0,0,1,0,0|2,0,0]=4 1290 B9R1.35 O=C1N[C@H](C(=O)O)CO1 Amb19517080 [1,0,0,1,0,0|2,0,0]=4 1291 B9R1.35 O=C1OCC(C(=O)O)O1 Amb25767974 [1,0,0,1,0,0|2,0,0]=4 1292 B9R1.69 O=C1C=CC(=O)C(O)C1 Amb27191875 [1,0,0,1,0,0|2,0,0]=4 1293 B9R1.152 C=C1CC(O)(C(=O)O)C1 Amb28201676 [1,0,0,1,0,0|2,0,0]=4 1294 B9R1.152 CC1(C(=O)O)CC(=O)C1 Amb22406208 [1,0,0,1,0,0|2,0,0]=4 1295 B9R1.152 O=C(O)[C@]1(O)C[C@@H](O)C1 Amb34147022 [1,0,0,1,0,0|1,0,1]=4 1296 B9R1.152 O=C(O)[C@]1(O)C[C@H](O)C1 Amb34136524 [1,0,0,1,0,0|1,0,1]=4 1297 B9R1.152 O=C1CC(F)(C(=O)O)C1 Amb34136578 [1,0,0,1,0,0|2,0,0]=4 1298 B9R1.161 CC(=O)C1OC1C(N)=O Amb28383609 [1,0,0,1,0,0|2,0,0]=4 1299 B9R1.161 CC(=O)[C@@H]1O[C@@H]1C(N)=O Amb27194051 [1,0,0,1,0,0|2,0,0]=4 1300 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [1,0,0,1,0,0|2,0,0]=4 1301 B9R1.161 NC(=O)C1OC1C(=O)O Amb25695985 [1,0,0,1,0,0|1,0,0]=3 1302 B9R1.161 NC(=O)C1OC1C(N)=O Amb28287239 [1,0,0,1,0,0|2,0,0]=4 1303 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Amb24623178 [1,0,0,1,0,0|2,0,0]=4 1304 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(=O)O Amb27447217 [1,0,0,1,0,0|2,0,0]=4 1305 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O Amb27436130 [1,0,0,1,0,0|2,0,0]=4 1306 B9R1.161 O=C(Cl)C1OC1C(=O)Cl Amb24060960 [1,0,0,1,0,0|2,0,0]=4 1307 B9R1.161 O=C(O)C1CC1C(=O)Cl Amb26959493 [1,0,0,1,0,0|2,0,0]=4 1308 B9R1.161 O=C(O)C1CC1C(=O)O Amb1350467 [1,0,0,1,0,0|1,0,0]=3 1309 B9R1.161 O=C(O)C1OC1C(=O)O Amb4001391 [1,0,0,1,0,0|0,0,0]=2 1310 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Amb22901897 [1,0,0,1,0,0|1,0,0]=3 1311 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O Amb22799776 [1,0,0,1,0,0|0,0,0]=2 1312 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O Amb25979295 [1,0,0,1,0,0|1,0,0]=3 1313 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Amb3442175 [1,0,0,1,0,0|1,0,0]=3 1314 B9R1.161 O=C(O)[C@H]1O[C@@H]1C(=O)O Amb22262951 [1,0,0,1,0,0|0,0,0]=2 1315 B9R1.164 O=C(O)C1CP(=O)(O)C1 Amb4297467 [1,0,0,1,0,0|2,0,0]=4 1316 B11R1.313 NC1C(=O)NOC1CC(=O)O Amb27643083 [0,0,0,1,0,1|2,0,0]=4 1317 B11R1.314 O=C1CCC(C(O)C(=O)O)N1 Amb28121038 [0,0,0,1,0,1|2,0,0]=4 1318 B11R1.314 O=C1OC[C@H]([C@@H](O)C(=O)O)O1 Amb27966811 [0,0,0,1,0,1|1,0,0]=3 1319 B11R1.490 CC1CC(=O)OC1(C)C(=O)O Amb18644983 [0,0,0,1,0,1|2,0,0]=4 1320 B11R1.490 NC(=O)C1(O)NC(=O)NC1O Amb28195085 [0,0,0,1,0,1|2,0,0]=4 1321 B11R1.490 O=C1C=C(O)C(O)(C(=O)O)O1 Amb28075152 [0,0,0,1,0,1|0,0,1]=3 1322 B11R1.672 CC(=O)C1OC(=O)C(O)C1O Amb28074805 [0,0,0,1,0,1|1,0,0]=3 1323 B11R1.672 CC1OC(C(=O)O)C(O)C1O Amb27793297 [0,0,0,1,0,1|1,0,1]=4 1324 B11R1.672 C[C@@H](O)[C@@H]1OC(=O)[C@H](O)[C@H]1O Amb27978353 [0,0,0,1,0,1|1,0,1]=4 1325 B11R1.672 C[C@@H](O)[C@H]1OC(=O)[C@@H](O)[C@H]1O Amb27782435 [0,0,0,1,0,1|1,0,1]=4 1326 B11R1.672 C[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@@H]1O Amb27775557 [0,0,0,1,0,1|1,0,1]=4 1327 B11R1.672 C[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@H]1O Amb27452006 [0,0,0,1,0,1|1,0,1]=4 1328 B11R1.672 C[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H]1O Amb28325640 [0,0,0,1,0,1|1,0,1]=4 1329 B11R1.672 C[C@H](O)[C@@H]1OC(=O)[C@@H](O)[C@@H]1O Amb27184182 [0,0,0,1,0,1|1,0,1]=4 1330 B11R1.672 C[C@H](O)[C@@H]1OC(=O)[C@H](O)[C@@H]1O Amb28197990 [0,0,0,1,0,1|1,0,1]=4 1331 B11R1.672 O=C(O)C1OC(O)C(O)C1O Amb24445981 [0,0,0,1,0,1|0,0,2]=4 1332 B11R1.672 O=C(O)[C@H]1O[C@@H](O)[C@@H](O)[C@H]1O Amb28193751 [0,0,0,1,0,1|0,0,2]=4 1333 B11R1.672 O=C(O)[C@H]1O[C@H](O)[C@@H](O)[C@@H]1O Amb27433954 [0,0,0,1,0,1|0,0,2]=4 1334 B11R1.672 O=C1OC(C(=O)O)C(O)C1O Amb27875078 [0,0,0,1,0,1|0,0,0]=2 1335 B11R1.704 NC(C(=O)O)C1CC1C(=O)O Amb24447417 [0,0,0,1,0,1|2,0,0]=4 1336 B11R1.704 NC(C(=O)O)[C@@H]1C[C@@H]1C(=O)O Amb27878614 [0,0,0,1,0,1|2,0,0]=4 1337 B11R1.704 N[C@@H](C(=O)O)C1CC1C(=O)O Amb27772027 [0,0,0,1,0,1|2,0,0]=4 1338 B11R1.704 N[C@H](C(=O)O)[C@@H]1C[C@@H]1C(=O)O Amb22352678 [0,0,0,1,0,1|2,0,0]=4 1339 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@@H]1C(=O)O Amb19930360 [0,0,0,1,0,1|2,0,0]=4 1340 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O Amb22388556 [0,0,0,1,0,1|2,0,0]=4 1341 B11R1.708 O=C(O)CC1CNC1C(=O)O Amb28384932 [0,0,0,1,0,1|2,0,0]=4 1342 B11R1.708 O=C(O)C[C@@H]1CN[C@H]1C(=O)O Amb19131121 [0,0,0,1,0,1|2,0,0]=4 1343 B11R1.708 O=C(O)C[C@H]1CN[C@H]1C(=O)O Amb27863455 [0,0,0,1,0,1|2,0,0]=4 1344 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb26493344 [0,0,0,1,0,1|2,0,0]=4 1345 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb32665933 [0,0,0,1,0,1|2,0,0]=4 1346 B11R1.927 N[C@@]1(C(=O)O)C[C@H]1CC(=O)O Amb25179270 [0,0,0,1,0,1|2,0,0]=4 1347 B11R1.1293 CC1C(C(=O)O)C1(Cl)C(=O)O Amb27945670 [0,0,0,1,0,1|2,0,0]=4 1348 B11R1.1293 C[C@@H]1[C@@H](C(=O)O)[C@]1(C)C(=O)O Amb27858781 [0,0,0,1,0,1|2,0,0]=4 1349 B11R1.1293 C[C@H]1[C@@H](C(=O)O)[C@]1(C)C(=O)O Amb27865565 [0,0,0,1,0,1|2,0,0]=4 1350 B11R1.21 O=C(O)[C@@H]1C[C@H](O)[C@H](O)CO1 Amb35750828 [0,0,0,1,0,1|1,0,1]=4 1351 B11R1.21 O=C(O)[C@H]1C[C@H](O)[C@H](O)CO1 Amb35750235 [0,0,0,1,0,1|1,0,1]=4 1352 B11R1.175 CC(=O)[C@@H]1C[C@@H](C(=O)O)CO1 Amb27424004 [0,0,0,1,0,1|2,0,0]=4 1353 B11R1.175 CC(=O)[C@H]1C[C@@H](C(=O)O)CO1 Amb27221215 [0,0,0,1,0,1|2,0,0]=4 1354 B11R1.175 O=C(O)C1C=CC(C(=O)O)C1 Amb27192014 [0,0,0,1,0,1|2,0,0]=4 1355 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 Amb2221143 [0,0,0,1,0,1|2,0,0]=4 1356 B11R1.175 O=C(O)C1CCC(C(=O)O)O1 Amb18126226 [0,0,0,1,0,1|2,0,0]=4 1357 B11R1.175 O=C(O)C1CCC(C(=O)O)[Se]1 Amb2793472 [0,0,0,1,0,1|2,0,0]=4 1358 B11R1.175 O=C(O)C1CNC(C(=O)O)C1 Amb2695727 [0,0,0,1,0,1|2,0,0]=4 1359 B11R1.175 O=C(O)C1COC(C(=O)O)C1 Amb23454154 [0,0,0,1,0,1|1,0,0]=3 1360 B11R1.175 O=C(O)C1CSC(C(=O)O)C1 Amb18647960 [0,0,0,1,0,1|1,1,0]=4 1361 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 Amb16203736 [0,0,0,1,0,1|1,1,0]=4 1362 B11R1.175 O=C(O)[C@@H]1C=C[C@H](C(=O)O)C1 Amb27491019 [0,0,0,1,0,1|2,0,0]=4 1363 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)C1 Amb27455546 [0,0,0,1,0,1|2,0,0]=4 1364 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)N1 Amb25174831 [0,0,0,1,0,1|2,0,0]=4 1365 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)O1 Amb27966839 [0,0,0,1,0,1|2,0,0]=4 1366 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)S1 Amb23560341 [0,0,0,1,0,1|2,0,0]=4 1367 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)O1 Amb17620468 [0,0,0,1,0,1|2,0,0]=4 1368 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)S1 Amb23560340 [0,0,0,1,0,1|2,0,0]=4 1369 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C(=O)O)C1 Amb24559908 [0,0,0,1,0,1|2,0,0]=4 1370 B11R1.175 O=C(O)[C@@H]1CN[C@H](C(=O)O)C1 Amb22262950 [0,0,0,1,0,1|2,0,0]=4 1371 B11R1.175 O=C(O)[C@@H]1C[C@@H](C(=O)O)CN1 Amb19930523 [0,0,0,1,0,1|2,0,0]=4 1372 B11R1.175 O=C(O)[C@@H]1C[C@@H](C(=O)O)SS1 Amb27817898 [0,0,0,1,0,1|0,2,0]=4 1373 B11R1.175 O=C(O)[C@H]1C=C[C@H](C(=O)O)O1 Amb27650630 [0,0,0,1,0,1|2,0,0]=4 1374 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 Amb6299713 [0,0,0,1,0,1|2,0,0]=4 1375 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)C1 Amb22744933 [0,0,0,1,0,1|2,0,0]=4 1376 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)N1 Amb27195626 [0,0,0,1,0,1|2,0,0]=4 1377 B11R1.175 O=C(O)[C@H]1CN[C@@H](C(=O)O)C1 Amb26528102 [0,0,0,1,0,1|2,0,0]=4 1378 B11R1.175 O=C(O)[C@H]1C[C@H](C(=O)O)SS1 Amb27657788 [0,0,0,1,0,1|0,2,0]=4 1379 B11R1.487 CC1CC(C)(C(=O)O)OC1=O Amb25949608 [0,0,0,1,0,1|2,0,0]=4 1380 B11R1.487 CC1CC(O)(C(=O)O)OC1=O Amb27878675 [0,0,0,1,0,1|1,0,0]=3 1381 B11R1.487 C[C@]1(C(=O)O)C[C@H](N)C(=O)O1 Amb28246029 [0,0,0,1,0,1|2,0,0]=4 1382 B11R1.1387 C[C@@]1(C(=O)O)C[C@@]1(C)C(=O)O Amb27195861 [0,0,0,1,0,1|2,0,0]=4 1383 B11R1.1387 C[C@]1(C(=O)O)C[C@@]1(C)C(=O)O Amb27873969 [0,0,0,1,0,1|2,0,0]=4 1384 B11R1.1387 C[C@]1(C(=O)O)C[C@@]1(Cl)C(=O)O Amb27231829 [0,0,0,1,0,1|2,0,0]=4 1385 B11R1.1387 C[C@]1(C(=O)O)C[C@]1(C)C(=O)O Amb27627524 [0,0,0,1,0,1|2,0,0]=4 1386 B11R1.1389 NC1(C(=O)O)CC(C(=O)O)C1 Amb23592289 [0,0,0,1,0,1|2,0,0]=4 1387 B11R1.1389 NC1(C(=O)O)CC(C(=O)O)C1 Amb35745792 [0,0,0,1,0,1|2,0,0]=4 1388 B11R1.1389 N[C@]1(C(=O)O)C[C@@H](C(=O)O)C1 Amb24468408 [0,0,0,1,0,1|2,0,0]=4 1389 B11R1.1389 N[C@]1(C(=O)O)C[C@H](C(=O)O)C1 Amb19297840 [0,0,0,1,0,1|2,0,0]=4 1390 B11R1.1389 O=C(O)C1CC(O)(C(=O)O)C1 Amb33330532 [0,0,0,1,0,1|1,0,0]=3 1391 B11R1.1389 O=C(O)[C@H]1C[C@](O)(C(=O)O)C1 Amb33210002 [0,0,0,1,0,1|1,0,0]=3 1392 B11R1.32 CC1O[C@H](O)C(=O)C(O)[C@H]1O Amb28202244 [0,1,0,1,0,0|1,0,1]=4 1393 B11R1.32 C[C@H]1OC(=O)[C@@H](O)[C@@H](O)[C@@H]1O Amb27981928 [0,1,0,1,0,0|1,0,1]=4 1394 B11R1.32 C[C@H]1OC(=O)[C@H](O)[C@H](O)[C@H]1O Amb27213842 [0,1,0,1,0,0|1,0,1]=4 1395 B11R1.32 C[C@H]1O[C@@H](O)C(=O)[C@@H](O)[C@@H]1O Amb28052303 [0,1,0,1,0,0|1,0,1]=4 1396 B11R1.32 C[C@H]1O[C@@H](O)C(=O)[C@@H](O)[C@H]1O Amb27432627 [0,1,0,1,0,0|1,0,1]=4 1397 B11R1.89 O=C(O)[C@@H](O)[C@@H]1CCCC1=O Amb27781539 [0,1,0,1,0,0|2,0,0]=4 1398 B11R1.89 O=C(O)[C@H](O)[C@H]1CCCC1=O Amb27205679 [0,1,0,1,0,0|2,0,0]=4 1399 B11R1.89 O=C1CCC[C@H]1[C@@H](O)C(=O)O Amb27645466 [0,1,0,1,0,0|2,0,0]=4 1400 B11R1.159 O=C1NCCC(C(=O)O)C1O Amb25145722 [0,1,0,1,0,0|2,0,0]=4 1401 B11R1.295 COC(=O)C(O)C1CCC1=O Amb27198021 [0,1,0,1,0,0|2,0,0]=4 1402 B11R1.295 COC(=O)[C@@H](O)[C@H]1CCC1=O Amb27422567 [0,1,0,1,0,0|2,0,0]=4 1403 B11R1.419 O=C1OC(O)(CO)C(O)C1O Amb28138473 [0,1,0,1,0,0|0,0,2]=4 1404 B11R1.499 O=C1O[BH2-]OC(=O)[C@@H](O)[C@@H]1O Amb28350340 [0,1,0,1,0,0|0,0,0]=2 1405 B11R1.865 COC(=O)[C@@H]1ONC(=O)[C@H]1N Amb28342457 [0,1,0,1,0,0|2,0,0]=4 1406 B11R1.868 COC(=O)C1CC1(C)C(=O)O Amb27617493 [0,1,0,1,0,0|2,0,0]=4 1407 B11R1.868 COC(=O)[C@@H]1C[C@]1(C)C(=O)O Amb32680275 [0,1,0,1,0,0|2,0,0]=4 1408 B11R1.870 COC(=O)C1C=C[C@@H]1C(=O)O Amb27273537 [0,1,0,1,0,0|2,0,0]=4 1409 B11R1.870 COC(=O)C1CCC1C(=O)O Amb25844392 [0,1,0,1,0,0|2,0,0]=4 1410 B11R1.870 COC(=O)[C@@H]1C=C[C@@H]1C(=O)O Amb28437093 [0,1,0,1,0,0|2,0,0]=4 1411 B11R1.870 COC(=O)[C@@H]1C=C[C@H]1C(=O)O Amb25911999 [0,1,0,1,0,0|2,0,0]=4 1412 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)O Amb23439085 [0,1,0,1,0,0|2,0,0]=4 1413 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O Amb26948041 [0,1,0,1,0,0|2,0,0]=4 1414 B11R1.870 COC(=O)[C@H]1C=C[C@@H]1C(=O)O Amb27645479 [0,1,0,1,0,0|2,0,0]=4 1415 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O Amb28247482 [0,1,0,1,0,0|2,0,0]=4 1416 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O Amb28138440 [0,1,0,1,0,0|2,0,0]=4 1417 B11R1.888 COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)O Amb33339044 [0,1,0,1,0,0|2,0,0]=4 1418 B11R1.64 CC[C@H]1C(=O)OC[C@H]1C(=O)O Amb27639476 [0,1,0,1,0,0|2,0,0]=4 1419 B11R1.72 COC1C(O)COC(=O)C1O Amb27207406 [0,1,0,1,0,0|1,0,1]=4 1420 B11R1.108 CC1CC(C(=O)O)C1C(=O)O Amb26595927 [0,1,0,1,0,0|2,0,0]=4 1421 B11R1.108 O=C(O)C1CC(=O)C1C(=O)O Amb34149611 [0,1,0,1,0,0|1,0,1]=4 1422 B11R1.108 O=C(O)[C@H]1CC(=O)[C@@H]1C(=O)O Amb34913067 [0,1,0,1,0,0|1,0,1]=4 1423 B11R1.108 O=C(O)[C@H]1CC(=O)[C@H]1C(=O)O Amb34912796 [0,1,0,1,0,0|1,0,1]=4 1424 B11R1.178 NC(=O)C1OCCC1C(=O)O Amb35649185 [0,1,0,1,0,0|2,0,0]=4 1425 B11R1.178 NC(=O)C1OCOC1C(N)=O Amb27945671 [0,1,0,1,0,0|2,0,0]=4 1426 B11R1.178 NC(=O)[C@@H]1OCO[C@H]1C(N)=O Amb28399245 [0,1,0,1,0,0|2,0,0]=4 1427 B11R1.178 NC(=O)[C@H]1N=CO[C@@H]1C(=O)O Amb28062927 [0,1,0,1,0,0|2,0,0]=4 1428 B11R1.178 NC(=O)[C@H]1OCO[C@@H]1C(N)=O Amb28141959 [0,1,0,1,0,0|2,0,0]=4 1429 B11R1.178 O=C(O)C1C=CCC1C(=O)O Amb28365373 [0,1,0,1,0,0|2,0,0]=4 1430 B11R1.178 O=C(O)C1CCCC1C(=O)O Amb2732979 [0,1,0,1,0,0|2,0,0]=4 1431 B11R1.178 O=C(O)C1CCNC1C(=O)O Amb22741053 [0,1,0,1,0,0|2,0,0]=4 1432 B11R1.178 O=C(O)C1CNCC1C(=O)O Amb22495455 [0,1,0,1,0,0|2,0,0]=4 1433 B11R1.178 O=C(O)C1CNCC1C(=O)O Amb32666021 [0,1,0,1,0,0|2,0,0]=4 1434 B11R1.178 O=C(O)C1COCC1C(=O)O Amb23571987 [0,1,0,1,0,0|1,0,0]=3 1435 B11R1.178 O=C(O)C1SCSC1C(=O)O Amb27408556 [0,1,0,1,0,0|0,2,0]=4 1436 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O Amb6299712 [0,1,0,1,0,0|2,0,0]=4 1437 B11R1.178 O=C(O)[C@@H]1CNC[C@@H]1C(=O)O Amb2695693 [0,1,0,1,0,0|2,0,0]=4 1438 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(=O)O Amb25200351 [0,1,0,1,0,0|2,0,0]=4 1439 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(=O)O Amb32664021 [0,1,0,1,0,0|2,0,0]=4 1440 B11R1.178 O=C(O)[C@@H]1COC[C@@H]1C(=O)O Amb26847108 [0,1,0,1,0,0|1,0,0]=3 1441 B11R1.178 O=C(O)[C@@H]1CSC[C@H]1C(=O)O Amb28193749 [0,1,0,1,0,0|1,1,0]=4 1442 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O Amb13890829 [0,1,0,1,0,0|2,0,0]=4 1443 B11R1.178 O=C(O)[C@H]1CCN[C@@H]1C(=O)O Amb27422064 [0,1,0,1,0,0|2,0,0]=4 1444 B11R1.178 O=C(O)[C@H]1CCN[C@H]1C(=O)O Amb27791852 [0,1,0,1,0,0|2,0,0]=4 1445 B11R1.178 O=C(O)[C@H]1CNC[C@@H]1C(=O)O Amb25945306 [0,1,0,1,0,0|2,0,0]=4 1446 B11R1.178 O=C(O)[C@H]1CNC[C@@H]1C(=O)O Amb28664288 [0,1,0,1,0,0|2,0,0]=4 1447 B11R1.418 CS[C@@]1(C(=O)O)C[C@@H]1C(=O)O Amb28051888 [0,1,0,1,0,0|1,1,0]=4 1448 B11R1.418 O=C(O)[C@@H]1C[C@]1(CO)C(=O)O Amb27768045 [0,1,0,1,0,0|1,0,0]=3 1449 B11R1.418 O=C(O)[C@H]1C[C@@]1(CO)C(=O)O Amb26023028 [0,1,0,1,0,0|1,0,0]=3 1450 B11R1.673 C[C@@H]1OC(=O)[C@@H](C)[C@@H]1C(=O)O Amb27472015 [0,1,0,1,0,0|2,0,0]=4 1451 B11R1.673 C[C@@H]1OC(=O)[C@H](N)[C@H]1C(=O)O Amb27444610 [0,1,0,1,0,0|2,0,0]=4 1452 B11R1.723 NC1(C(=O)O)CCC1C(=O)O Amb24381448 [0,1,0,1,0,0|2,0,0]=4 1453 B11R1.1109 O=C(O)[C@H](O)C1(C(=O)O)CC1 Amb27816028 [0,1,0,1,0,0|1,0,0]=3 1454 B11R1.511 CC1(O)C(=O)C=CC(=O)C1O Amb28461183 [0,1,0,1,0,0|2,0,0]=4 1455 B11R2.60 O=C1CO[C@H]2C(=O)CO[C@H]12 Amb34916372 [0,0,0,2,0,0|2,0,0]=4 1456 B11R2.60 O=C1OCC2C(=O)OCC12 Amb8487114 [0,0,0,2,0,0|2,0,0]=4 1457 B11R2.1841 O=C(O)C12CC1(C(=O)O)C2 Amb28397896 [0,0,0,2,0,0|2,0,0]=4 1458 B9R0.7 C=C(C)CCC(O)C(=O)O Amb27436256 [1,0,0,0,0,1|2,0,0]=4 1459 B9R0.7 C=C(CCC(=O)O)C(=O)O Amb8391367 [1,0,0,0,0,1|1,0,1]=4 1460 B9R0.7 CC(=O)C(C)CCC(=O)O Amb4020917 [1,0,0,0,0,1|2,0,0]=4 1461 B9R0.7 CC(=O)C(F)CCC(=O)O Amb27620074 [1,0,0,0,0,1|2,0,0]=4 1462 B9R0.7 CC(=O)C(N)CCC(=O)O Amb27875288 [1,0,0,0,0,1|2,0,0]=4 1463 B9R0.7 CC(=O)C(O)CCC(=O)O Amb27826305 [1,0,0,0,0,1|1,0,0]=3 1464 B9R0.7 CC(=O)CCC(N)C(=O)O Amb20669473 [1,0,0,0,0,1|2,0,0]=4 1465 B9R0.7 CC(=O)CCC(N)C(=O)O Amb22157242 [1,0,0,0,0,1|2,0,0]=4 1466 B9R0.7 CC(=O)CC[C@@H](N)C(=O)O Amb26516732 [1,0,0,0,0,1|2,0,0]=4 1467 B9R0.7 CC(=O)CC[C@H](N)C(=O)O Amb25147501 [1,0,0,0,0,1|2,0,0]=4 1468 B9R0.7 CC(=O)CSC(C)C(=O)O Amb17501621 [1,0,0,0,0,1|2,0,0]=4 1469 B9R0.7 CC(=O)N(O)CCC(=O)O Amb28050128 [1,0,0,0,0,1|2,0,0]=4 1470 B9R0.7 CC(=O)NCC(N)C(=O)O Amb26046380 [1,0,0,0,0,1|2,0,0]=4 1471 B9R0.7 CC(=O)NC[C@H](C)C(=O)O Amb27472985 [1,0,0,0,0,1|2,0,0]=4 1472 B9R0.7 CC(=O)OCC(C)C(=O)O Amb28050166 [1,0,0,0,0,1|2,0,0]=4 1473 B9R0.7 CC(=O)OCC(N)C(=O)O Amb17593668 [1,0,0,0,0,1|2,0,0]=4 1474 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O Amb2699176 [1,0,0,0,0,1|2,0,0]=4 1475 B9R0.7 CC(=O)OC[C@@H]([NH3+])C(=O)O Amb3499386 [1,0,0,0,0,1|2,0,0]=4 1476 B9R0.7 CC(=O)OC[C@H](C)C(=O)O Amb28340504 [1,0,0,0,0,1|2,0,0]=4 1477 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb2778750 [1,0,0,0,0,1|2,0,0]=4 1478 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb33757552 [1,0,0,0,0,1|2,0,0]=4 1479 B9R0.7 CC(=O)SCC(C)C(=O)O Amb2732386 [1,0,0,0,0,1|2,0,0]=4 1480 B9R0.7 CC(=O)SCC(N)C(=O)O Amb22490452 [1,0,0,0,0,1|2,0,0]=4 1481 B9R0.7 CC(=O)SCC(O)C(=O)O Amb31030973 [1,0,0,0,0,1|1,0,0]=3 1482 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O Amb8628177 [1,0,0,0,0,1|2,0,0]=4 1483 B9R0.7 CC(=O)[C@H](C)CCC(=O)O Amb24671283 [1,0,0,0,0,1|2,0,0]=4 1484 B9R0.7 CC(CCC(=O)O)C(=O)O Amb6296609 [1,0,0,0,0,1|1,0,0]=3 1485 B9R0.7 CC(CNC(N)=O)C(=O)O Amb18298054 [1,0,0,0,0,1|2,0,0]=4 1486 B9R0.7 CC(NCC(=O)O)C(=O)O Amb26506272 [1,0,0,0,0,1|1,0,0]=3 1487 B9R0.7 CC(NCC(=O)O)C(=O)O Amb3427836 [1,0,0,0,0,1|1,0,0]=3 1488 B9R0.7 CC(NCC(=O)O)C(N)=O Amb9285399 [1,0,0,0,0,1|2,0,0]=4 1489 B9R0.7 CC(SCC(=O)O)C(=O)O Amb2431034 [1,0,0,0,0,1|1,0,0]=3 1490 B9R0.7 CS(=O)CCC(O)C(=O)O Amb28118981 [1,0,0,0,0,1|2,0,0]=4 1491 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O Amb22799543 [1,0,0,0,0,1|1,0,0]=3 1492 B9R0.7 C[C@@H](CNC(N)=O)C(=O)O Amb10844047 [1,0,0,0,0,1|2,0,0]=4 1493 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O Amb22748947 [1,0,0,0,0,1|1,0,0]=3 1494 B9R0.7 C[C@@H](O)[C@H](O)CCC(=O)O Amb27628876 [1,0,0,0,0,1|1,0,1]=4 1495 B9R0.7 C[C@H](CCC(=O)O)C(=O)O Amb22225175 [1,0,0,0,0,1|1,0,0]=3 1496 B9R0.7 C[C@H](CNC(N)=O)C(=O)O Amb27235917 [1,0,0,0,0,1|2,0,0]=4 1497 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb25133540 [1,0,0,0,0,1|1,0,0]=3 1498 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb33803333 [1,0,0,0,0,1|1,0,0]=3 1499 B9R0.7 C[C@H](NCC(=O)O)C(N)=O Amb27771293 [1,0,0,0,0,1|2,0,0]=4 1500 B9R0.7 C\C(=C/CC(=O)O)C(=O)O Amb27214024 [1,0,0,0,0,1|1,0,1]=4 1501 B9R0.7 C\C(=C\CC(=O)O)C(=O)O Amb25960751 [1,0,0,0,0,1|1,0,1]=4 1502 B9R0.7 C\C(=N/CC(=O)O)C(=O)O Amb27759453 [1,0,0,0,0,1|1,0,1]=4 1503 B9R0.7 N=C(N)NCC(O)C(=O)O Amb27229727 [1,0,0,0,0,1|2,0,0]=4 1504 B9R0.7 NC(=O)C(N)CCC(=O)O Amb18644256 [1,0,0,0,0,1|2,0,0]=4 1505 B9R0.7 NC(=O)CCC(Br)C(=O)O Amb27828829 [1,0,0,0,0,1|2,0,0]=4 1506 B9R0.7 NC(=O)CCC(N)C(=O)O Amb9702792 [1,0,0,0,0,1|2,0,0]=4 1507 B9R0.7 NC(=O)CCC(O)C(N)=O Amb28289307 [1,0,0,0,0,1|2,0,0]=4 1508 B9R0.7 NC(=O)CC[C@@H](Br)C(=O)O Amb28049993 [1,0,0,0,0,1|2,0,0]=4 1509 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Amb2688618 [1,0,0,0,0,1|2,0,0]=4 1510 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Amb6600045 [1,0,0,0,0,1|2,0,0]=4 1511 B9R0.7 NC(=O)NCC(F)C(=O)O Amb17610485 [1,0,0,0,0,1|2,0,0]=4 1512 B9R0.7 NC(=O)NCC(N)C(=O)O Amb4037018 [1,0,0,0,0,1|2,0,0]=4 1513 B9R0.7 NC(=O)NCC(O)C(=O)O Amb27464106 [1,0,0,0,0,1|1,0,0]=3 1514 B9R0.7 NC(=O)NCC(O)C(N)=O Amb28384014 [1,0,0,0,0,1|2,0,0]=4 1515 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O Amb10068479 [1,0,0,0,0,1|2,0,0]=4 1516 B9R0.7 NC(=O)NC[C@H](N)C(=O)O Amb6298794 [1,0,0,0,0,1|2,0,0]=4 1517 B9R0.7 NC(=O)OCC(N)C(=O)O Amb26968173 [1,0,0,0,0,1|2,0,0]=4 1518 B9R0.7 NC(=O)OC[C@H](N)C(=O)O Amb28126945 [1,0,0,0,0,1|2,0,0]=4 1519 B9R0.7 NC(=O)SCC(N)C(=O)O Amb3993051 [1,0,0,0,0,1|2,0,0]=4 1520 B9R0.7 NC(=O)SC[C@@H](N)C(=O)O Amb10072293 [1,0,0,0,0,1|2,0,0]=4 1521 B9R0.7 NC(=O)SC[C@H](N)C(=O)O Amb22735296 [1,0,0,0,0,1|2,0,0]=4 1522 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O Amb22745051 [1,0,0,0,0,1|2,0,0]=4 1523 B9R0.7 NC(=O)[C@H](N)CCC(=O)O Amb24557281 [1,0,0,0,0,1|2,0,0]=4 1524 B9R0.7 NC(CCC(=O)Cl)C(=O)O Amb27816376 [1,0,0,0,0,1|2,0,0]=4 1525 B9R0.7 NC(CCC(=O)O)C(=O)O Amb8395158 [1,0,0,0,0,1|1,0,0]=3 1526 B9R0.7 NC(CCC(=O)O)C(=O)O Amb9703098 [1,0,0,0,0,1|1,0,0]=3 1527 B9R0.7 NC(CCC(=O)O)C(=O)[O-] Amb4014785 [1,0,0,0,0,1|1,0,1]=4 1528 B9R0.7 NC(CSC(=O)O)C(=O)O Amb27491502 [1,0,0,0,0,1|1,0,0]=3 1529 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb34915082 [1,0,0,0,0,1|1,0,0]=3 1530 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb3940322 [1,0,0,0,0,1|1,0,0]=3 1531 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb8513626 [1,0,0,0,0,1|1,0,0]=3 1532 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] Amb22745619 [1,0,0,0,0,1|1,0,1]=4 1533 B9R0.7 N[C@@H](CCC(O)=S)C(=O)O Amb24480492 [1,0,0,0,0,1|1,1,0]=4 1534 B9R0.7 N[C@@H](CCS(=O)O)C(=O)O Amb25972325 [1,0,0,0,0,1|2,0,0]=4 1535 B9R0.7 N[C@@H](CC[PH](=O)O)C(=O)O Amb22904307 [1,0,0,0,0,1|2,0,0]=4 1536 B9R0.7 N[C@@H](CSC(=O)O)C(=O)O Amb27666945 [1,0,0,0,0,1|1,0,0]=3 1537 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Amb2720565 [1,0,0,0,0,1|1,0,0]=3 1538 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb1154117 [1,0,0,0,0,1|0,0,2]=4 1539 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb16232496 [1,0,0,0,0,1|0,0,2]=4 1540 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb22746233 [1,0,0,0,0,1|0,0,2]=4 1541 B9R0.7 O=C(O)CCC(Br)C(=O)O Amb26568399 [1,0,0,0,0,1|1,0,0]=3 1542 B9R0.7 O=C(O)CCC(Cl)C(=O)O Amb17594149 [1,0,0,0,0,1|1,0,0]=3 1543 B9R0.7 O=C(O)CCC(O)C(=O)O Amb18124864 [1,0,0,0,0,1|0,0,0]=2 1544 B9R0.7 O=C(O)CCC(S)C(=O)O Amb27983646 [1,0,0,0,0,1|0,1,0]=3 1545 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O Amb22799690 [1,0,0,0,0,1|0,0,0]=2 1546 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O Amb26885416 [1,0,0,0,0,1|1,0,0]=3 1547 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O Amb26590823 [1,0,0,0,0,1|1,0,0]=3 1548 B9R0.7 O=C(O)CC[C@H](O)C(=O)O Amb25948742 [1,0,0,0,0,1|0,0,0]=2 1549 B9R0.7 O=C(O)CNC(=O)C(=O)O Amb2447304 [1,0,0,0,0,1|0,0,2]=4 1550 B9R0.7 O=C(O)COC(=O)C(=O)O Amb28050116 [1,0,0,0,0,1|0,0,2]=4 1551 B9R0.7 O=C(O)C\C=C(/Cl)C(=O)O Amb27863082 [1,0,0,0,0,1|1,0,1]=4 1552 B9R0.7 O=C(O)[C@H](O)CO[PH](=O)O Amb27955235 [1,0,0,0,0,1|1,0,0]=3 1553 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Amb17615399 [1,0,0,0,0,1|0,0,2]=4 1554 B9R0.53 CC(=O)C[C@@H](C)CC(=O)O Amb27881969 [1,0,0,0,0,1|2,0,0]=4 1555 B9R0.53 CC(=O)NC(C)CC(=O)O Amb9007551 [1,0,0,0,0,1|2,0,0]=4 1556 B9R0.53 CC(=O)N[C@@H](C)CC(=O)O Amb2372568 [1,0,0,0,0,1|2,0,0]=4 1557 B9R0.53 CC(=O)O[C@@H](C)CC(=O)O Amb28340506 [1,0,0,0,0,1|2,0,0]=4 1558 B9R0.53 CC(=O)SC(C)CC(=O)O Amb4014288 [1,0,0,0,0,1|2,0,0]=4 1559 B9R0.53 CC(CC(=O)O)CC(=O)O Amb2782854 [1,0,0,0,0,1|1,0,0]=3 1560 B9R0.53 CC(CC(=O)O)NC(N)=O Amb9018480 [1,0,0,0,0,1|2,0,0]=4 1561 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [1,0,0,0,0,1|2,0,0]=4 1562 B9R0.53 C[C@@H](CC(N)=O)CC(=O)O Amb27404517 [1,0,0,0,0,1|2,0,0]=4 1563 B9R0.53 C\C(=C/C(=O)O)CC(=O)O Amb24556420 [1,0,0,0,0,1|1,0,1]=4 1564 B9R0.53 C\C(=C\C(=O)O)CC(=O)O Amb26421861 [1,0,0,0,0,1|1,0,1]=4 1565 B9R0.53 NC(=O)CC(N)CC(=O)O Amb27837998 [1,0,0,0,0,1|2,0,0]=4 1566 B9R0.53 NC(=O)CC(O)CC(N)=O Amb27203532 [1,0,0,0,0,1|2,0,0]=4 1567 B9R0.53 NC(=O)C[C@@H](N)CC(=O)O Amb26023970 [1,0,0,0,0,1|2,0,0]=4 1568 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [1,0,0,0,0,1|1,0,0]=3 1569 B9R0.53 NC(CC(=O)O)CC(=O)O Amb6296966 [1,0,0,0,0,1|1,0,0]=3 1570 B9R0.53 NN(CC(=O)O)CC(=O)O Amb534841 [1,0,0,0,0,1|2,0,0]=4 1571 B9R0.53 O=C(O)CC(=O)CC(=O)O Amb6298323 [1,0,0,0,0,1|0,0,2]=4 1572 B9R0.53 O=C(O)CC(Br)CC(=O)O Amb28049987 [1,0,0,0,0,1|1,0,0]=3 1573 B9R0.53 O=C(O)CC(O)CC(=O)O Amb17615401 [1,0,0,0,0,1|0,0,0]=2 1574 B9R0.53 O=C(O)CS(=O)CC(=O)O Amb6364793 [1,0,0,0,0,1|1,0,1]=4 1575 B9R0.53 O=C(O)\C=C(\Cl)CC(=O)O Amb2612119 [1,0,0,0,0,1|1,0,1]=4 1576 B9R0.53 [NH3+]N(CC(=O)O)CC(=O)O Amb23453377 [1,0,0,0,0,1|2,0,0]=4 1577 B11R0.149 CC(=O)NC(O)C(O)NC(C)=O Amb1033021 [0,0,0,0,0,2|2,0,0]=4 1578 B11R0.149 NC(CC(=O)O)C(N)CC(=O)O Amb24114097 [0,0,0,0,0,2|2,0,0]=4 1579 B11R0.150 CC(=O)C(O)C#CC(O)C(C)=O Amb26440713 [0,0,0,0,0,2|2,0,0]=4 1580 B11R0.150 CC(C#CC(C)C(=O)O)C(=O)O Amb27858793 [0,0,0,0,0,2|2,0,0]=4 1581 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O Amb10602546 [0,0,0,0,0,2|2,0,0]=4 1582 B11R0.150 O=C(O)C(Br)CCC(Br)C(=O)O Amb4036374 [0,0,0,0,0,2|2,0,0]=4