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|3,1,0]=4 3 B9R0.79 C=C(C)C(O)C(N)C(=O)O Amb33199606 [0,0,0,0,0,0|3,1,0]=4 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|3,1,0]=4 6 B9R0.79 CC(=O)C(C)C(C)C(C)=O Amb4016940 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.79 CC(=O)C(C)C(N)C(=O)O Amb18202116 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.79 CC(=O)C(C)C(N)C(N)=O Amb27613013 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.79 CC(=O)C(Cl)C(=O)C(=O)O Amb27600115 [0,0,0,0,0,0|2,1,1]=4 10 B9R0.79 CC(=O)C(O)C(O)C(=O)O Amb25292189 [0,0,0,0,0,0|1,2,0]=3 11 B9R0.79 CC(=O)C(O)C(O)C(C)=O Amb17593650 [0,0,0,0,0,0|2,2,0]=4 12 B9R0.79 CC(=O)N(Cl)[C@@H](C)C(=O)O Amb28458454 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.79 CC(=O)[C@@H](C)[C@@H](O)C(=O)O Amb27661780 [0,0,0,0,0,0|2,1,0]=3 14 B9R0.79 CC(=O)[C@@H](C)[C@H](O)C(=O)O Amb28050113 [0,0,0,0,0,0|2,1,0]=3 15 B9R0.79 CC(=O)[C@H](C)[C@@H](C)C(C)=O Amb28202186 [0,0,0,0,0,0|4,0,0]=4 16 B9R0.79 CC(=O)[C@H](C)[C@H](N)C(=O)O Amb27424983 [0,0,0,0,0,0|3,0,0]=3 17 B9R0.79 CC(=S)[C@H](C)[C@H](N)C(=O)O Amb26642807 [0,0,0,0,0,0|3,1,0]=4 18 B9R0.79 CC(C(=O)Cl)C(C)C(=O)Cl Amb22347385 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.79 CC(C(=O)O)C(Br)C(=O)O Amb2612973 [0,0,0,0,0,0|2,0,0]=2 20 B9R0.79 CC(C(=O)O)C(C)C(=O)O Amb8513150 [0,0,0,0,0,0|2,0,0]=2 21 B9R0.79 CC(C(=O)O)C(N)C(=O)O Amb2099482 [0,0,0,0,0,0|2,0,0]=2 22 B9R0.79 CC(C(=O)O)C(O)C(=O)O Amb17593680 [0,0,0,0,0,0|1,1,0]=2 23 B9R0.79 CC(C(N)=O)C(C)C(N)=O Amb28248514 [0,0,0,0,0,0|4,0,0]=4 24 B9R0.79 CC(C)C(S)C(N)C(=O)O Amb28076641 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.79 CC(O)C(C)C(C)C(=O)O Amb28059349 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.79 CC(O)C(C)C(N)C(=O)O Amb21953714 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.79 CC(O)C(C)[C@@H](N)C(=O)O Amb22800202 [0,0,0,0,0,0|3,0,1]=4 28 B9R0.79 CC(O)C(C)[C@H](N)C(=O)O Amb27390194 [0,0,0,0,0,0|3,0,1]=4 29 B9R0.79 CC(O)C(O)C(N)C(=O)O Amb27210841 [0,0,0,0,0,0|2,1,1]=4 30 B9R0.79 CC(O)[C@@H](C)[C@@H](N)C(=O)O Amb33524291 [0,0,0,0,0,0|3,0,1]=4 31 B9R0.79 C[C@@H](C(=O)O)C(N)C(=O)O Amb27877897 [0,0,0,0,0,0|2,0,0]=2 32 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 33 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 34 B9R0.79 C[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27243908 [0,0,0,0,0,0|1,1,0]=2 35 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 36 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 37 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 38 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 39 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 40 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 41 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 42 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 43 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 44 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 45 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 46 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 47 B9R0.79 C[C@H](O)[C@H](O)[C@@H](O)C(=O)O Amb27592166 [0,0,0,0,0,0|1,2,1]=4 48 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 49 B9R0.79 C\C(C(=O)O)=C(/Cl)C(=O)O Amb27858839 [0,0,0,0,0,0|2,0,2]=4 50 B9R0.79 C\C(C(=O)O)=C(\C)C(=O)O Amb24712245 [0,0,0,0,0,0|2,0,2]=4 51 B9R0.79 C\C(C(=O)O)=C(\O)C(=O)O Amb27867258 [0,0,0,0,0,0|1,1,2]=4 52 B9R0.79 NC(=O)C(N)C(N)C(=O)O Amb27424997 [0,0,0,0,0,0|3,0,0]=3 53 B9R0.79 NC(=O)C(O)C(O)C(=O)O Amb24112928 [0,0,0,0,0,0|1,2,0]=3 54 B9R0.79 NC(=O)C(O)C(O)C(N)=O Amb2842263 [0,0,0,0,0,0|2,2,0]=4 55 B9R0.79 NC(=O)[C@@H](N)[C@@H](O)C(N)=O Amb27259156 [0,0,0,0,0,0|3,1,0]=4 56 B9R0.79 NC(=O)[C@@H](N)[C@H](O)C(N)=O Amb28126957 [0,0,0,0,0,0|3,1,0]=4 57 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(=O)O Amb24763774 [0,0,0,0,0,0|2,1,0]=3 58 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(=O)O Amb28341817 [0,0,0,0,0,0|1,2,0]=3 59 B9R0.79 NC(=O)[C@H](O)[C@@H](O)C(N)=O Amb24385859 [0,0,0,0,0,0|2,2,0]=4 60 B9R0.79 NC(C(=O)O)C(F)C(=O)O Amb24061061 [0,0,0,0,0,0|2,0,0]=2 61 B9R0.79 NC(C(=O)O)C(N)C(=O)O Amb24117894 [0,0,0,0,0,0|2,0,0]=2 62 B9R0.79 NC(C(=O)O)C(O)C(=O)O Amb9871461 [0,0,0,0,0,0|1,1,0]=2 63 B9R0.79 N[C@@H](C(=O)O)C(F)C(=O)O Amb27494927 [0,0,0,0,0,0|2,0,0]=2 64 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O Amb17942870 [0,0,0,0,0,0|1,1,0]=2 65 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O Amb27470435 [0,0,0,0,0,0|1,1,0]=2 66 B9R0.79 N[C@H](C(=O)O)C(F)C(=O)O Amb27796116 [0,0,0,0,0,0|2,0,0]=2 67 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 68 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 69 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24087715 [0,0,0,0,0,0|1,1,0]=2 70 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O Amb24117974 [0,0,0,0,0,0|1,1,0]=2 71 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 72 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 73 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 74 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb17615140 [0,0,0,0,0,0|1,1,0]=2 75 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O Amb33714683 [0,0,0,0,0,0|1,1,0]=2 76 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O Amb2686761 [0,0,0,0,0,0|2,0,0]=2 77 B9R0.79 O=C(O)C(Cl)C(Cl)C(=O)O Amb26345874 [0,0,0,0,0,0|2,0,0]=2 78 B9R0.79 O=C(O)C(F)C(Cl)C(=O)O Amb27875188 [0,0,0,0,0,0|2,0,0]=2 79 B9R0.79 O=C(O)C(O)C(Cl)C(=O)O Amb17594225 [0,0,0,0,0,0|1,1,0]=2 80 B9R0.79 O=C(O)C(O)C(F)C(=O)O Amb24479232 [0,0,0,0,0,0|1,1,0]=2 81 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb24668916 [0,0,0,0,0,0|0,2,0]=2 82 B9R0.79 O=C(O)C(O)C(O)C(=O)O Amb6608787 [0,0,0,0,0,0|0,2,0]=2 83 B9R0.79 O=C(O)C(O)C(O)C(=O)S Amb28050895 [0,0,0,0,0,0|0,3,0]=3 84 B9R0.79 O=C(O)C(S)C(S)C(=O)O Amb8627761 [0,0,0,0,0,0|0,0,0]=0 85 B9R0.79 O=C(O)[C@@H](Cl)[C@H](O)C(=O)O Amb27845392 [0,0,0,0,0,0|1,1,0]=2 86 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O Amb22230832 [0,0,0,0,0,0|0,2,0]=2 87 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb17616192 [0,0,0,0,0,0|0,2,0]=2 88 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb19884028 [0,0,0,0,0,0|0,2,0]=2 89 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22750609 [0,0,0,0,0,0|0,2,0]=2 90 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb22756774 [0,0,0,0,0,0|0,2,0]=2 91 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb34915014 [0,0,0,0,0,0|0,2,0]=2 92 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Amb5722339 [0,0,0,0,0,0|0,2,0]=2 93 B9R0.79 O=C(O)[C@@H](S)[C@H](S)C(=O)O Amb28195042 [0,0,0,0,0,0|0,0,0]=0 94 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 95 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 96 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb19884026 [0,0,0,0,0,0|0,2,0]=2 97 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20240604 [0,0,0,0,0,0|0,2,0]=2 98 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb20670711 [0,0,0,0,0,0|0,2,0]=2 99 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb34915016 [0,0,0,0,0,0|0,2,0]=2 100 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Amb8628435 [0,0,0,0,0,0|0,2,0]=2 101 B9R0.79 O=C(O)[C@H](O)[C@H](Br)C(=O)O Amb28252354 [0,0,0,0,0,0|1,1,0]=2 102 B9R0.79 O=C(O)[C@H](O)[C@H](Cl)C(=O)O Amb27477747 [0,0,0,0,0,0|1,1,0]=2 103 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Amb8393135 [0,0,0,0,0,0|0,0,0]=0 104 B9R0.79 O=C(O)\C(Br)=C(/Br)C(=O)O Amb27465194 [0,0,0,0,0,0|2,0,2]=4 105 B9R0.79 O=C(O)\C(Br)=C(\Br)C(=O)O Amb22347940 [0,0,0,0,0,0|2,0,2]=4 106 B9R0.79 O=C(O)\C(O)=C(/O)C(=O)O Amb18511532 [0,0,0,0,0,0|0,2,2]=4 107 B9R0.79 O=C(O)\C(O)=C(/O)C(=O)O Amb33802774 [0,0,0,0,0,0|0,2,2]=4 108 B9R0.79 O=C(O)\C(O)=C(\O)C(=O)O Amb17593679 [0,0,0,0,0,0|0,2,2]=4 109 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb20246422 [0,0,0,0,0,0|0,2,1]=3 110 B9R0.79 O=C([O-])C(O)C(O)C(=O)O Amb8517447 [0,0,0,0,0,0|0,2,1]=3 111 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] Amb19959974 [0,0,0,0,0,0|0,2,2]=4 112 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] Amb8514450 [0,0,0,0,0,0|0,2,2]=4 113 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)[O-] Amb32414666 [0,0,0,0,0,0|0,2,2]=4 114 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O Amb34915846 [0,0,0,0,0,0|0,2,1]=3 115 B8R0.2 C=CC(C)C(C)C(=O)O Amb18642611 [1,0,0,0,0,0|3,0,0]=4 116 B8R0.2 C=CC(C)C(N)C(=O)O Amb18989861 [1,0,0,0,0,0|3,0,0]=4 117 B8R0.2 C=CC(C)C(O)C(=O)O Amb18642750 [1,0,0,0,0,0|2,1,0]=4 118 B8R0.2 C=CC(C)[C@@H](N)C(=O)O Amb25889532 [1,0,0,0,0,0|3,0,0]=4 119 B8R0.2 C=CC(C)[C@H](N)C(=O)O Amb27761345 [1,0,0,0,0,0|3,0,0]=4 120 B8R0.2 C=CC(N)C(C)C(=O)O Amb33036213 [1,0,0,0,0,0|3,0,0]=4 121 B8R0.2 C=CC(O)C(C)C(=O)O Amb18642774 [1,0,0,0,0,0|2,1,0]=4 122 B8R0.2 C=CC(O)C(N)C(=O)O Amb18642830 [1,0,0,0,0,0|2,1,0]=4 123 B8R0.2 C=CC(O)[C@H](N)C(=O)O Amb28429839 [1,0,0,0,0,0|2,1,0]=4 124 B8R0.2 C=C[C@@H](C)[C@H](N)C(=O)O Amb28129785 [1,0,0,0,0,0|3,0,0]=4 125 B8R0.2 C=C[C@@H](C)[C@H](O)C(=O)O Amb27788648 [1,0,0,0,0,0|2,1,0]=4 126 B8R0.2 C=C[C@H](C)[C@@H](N)C(=O)O Amb28067623 [1,0,0,0,0,0|3,0,0]=4 127 B8R0.2 C=C[C@H](C)[C@H](Cl)C(=O)O Amb27601824 [1,0,0,0,0,0|3,0,0]=4 128 B8R0.2 C=C[C@H](C)[C@H](F)C(=O)O Amb28285951 [1,0,0,0,0,0|3,0,0]=4 129 B8R0.2 C=C[C@H](O)[C@@H](C)C(=O)O Amb28422977 [1,0,0,0,0,0|2,1,0]=4 130 B8R0.2 C=C[C@H](O)[C@@H](N)C(=O)O Amb27236340 [1,0,0,0,0,0|2,1,0]=4 131 B8R0.2 C=C[C@H](O)[C@H](C)C(=O)O Amb28285106 [1,0,0,0,0,0|2,1,0]=4 132 B8R0.2 CC(=O)C(C)C(C)C=O Amb27643957 [1,0,0,0,0,0|3,0,0]=4 133 B8R0.2 CC(C(=O)O)N(C)C=O Amb18284942 [1,0,0,0,0,0|3,0,0]=4 134 B8R0.2 CC(CO)C(C)C(=O)O Amb27255789 [1,0,0,0,0,0|2,0,1]=4 135 B8R0.2 CC(CO)C(N)C(=O)O Amb27629815 [1,0,0,0,0,0|2,0,1]=4 136 B8R0.2 CC(CO)[C@@H](N)C(=O)O Amb33308939 [1,0,0,0,0,0|2,0,1]=4 137 B8R0.2 CC(CO)[C@H](N)C(=O)O Amb25918803 [1,0,0,0,0,0|2,0,1]=4 138 B8R0.2 CC(NO)C(C)C(=O)O Amb27185439 [1,0,0,0,0,0|3,0,0]=4 139 B8R0.2 CCC(C)C(S)C(=O)O Amb27667077 [1,0,0,0,0,0|2,0,1]=4 140 B8R0.2 C[C@@H](CO)[C@@H](N)C(=O)O Amb24117487 [1,0,0,0,0,0|2,0,1]=4 141 B8R0.2 C[C@@H](CO)[C@@H](N)C(=O)O Amb27828649 [1,0,0,0,0,0|2,0,1]=4 142 B8R0.2 C[C@@H](CO)[C@H](N)C(=O)O Amb24117488 [1,0,0,0,0,0|2,0,1]=4 143 B8R0.2 NC(C(=O)O)C(F)CO Amb27950986 [1,0,0,0,0,0|2,0,1]=4 144 B8R0.2 NC(C(=O)O)C(S)CO Amb27199680 [1,0,0,0,0,0|1,0,1]=3 145 B8R0.2 NC(CO)C(N)C(=O)O Amb28208230 [1,0,0,0,0,0|2,0,1]=4 146 B8R0.2 N[C@@H](C(=O)O)C(S)CO Amb27233478 [1,0,0,0,0,0|1,0,1]=3 147 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO Amb24671346 [1,0,0,0,0,0|1,1,1]=4 148 B8R0.2 N[C@H](C(=O)O)C(O)CO Amb28255690 [1,0,0,0,0,0|1,1,1]=4 149 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO Amb25678241 [1,0,0,0,0,0|1,1,1]=4 150 B8R0.2 O=C(O)C(O)C(O)CO Amb22495524 [1,0,0,0,0,0|0,2,1]=4 151 B8R0.2 O=C(O)[C@@H](F)[C@H](O)CO Amb27195151 [1,0,0,0,0,0|1,1,1]=4 152 B8R0.2 O=C(O)[C@H](O)C(O)CO Amb27229496 [1,0,0,0,0,0|0,2,1]=4 153 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO Amb27849401 [1,0,0,0,0,0|0,2,1]=4 154 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO Amb32644462 [1,0,0,0,0,0|0,2,1]=4 155 B8R0.2 O=CC(O)C(O)C(=O)O Amb18124399 [1,0,0,0,0,0|0,2,0]=3 156 B8R0.2 O=C[C@H](O)[C@H](O)C(=O)O Amb27266059 [1,0,0,0,0,0|0,2,0]=3 157 B8R0.23 BC(CC(=O)O)C(=O)O Amb28287358 [1,0,0,0,0,0|1,0,0]=2 158 B8R0.23 C=C(Br)CC(N)C(=O)O Amb24557771 [1,0,0,0,0,0|3,0,0]=4 159 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O Amb22746251 [1,0,0,0,0,0|3,0,0]=4 160 B8R0.23 C=C(Br)C[C@H](N)C(=O)O Amb25918807 [1,0,0,0,0,0|3,0,0]=4 161 B8R0.23 C=C(Br)[C@@H](O)CC(=O)O Amb27392180 [1,0,0,0,0,0|2,1,0]=4 162 B8R0.23 C=C(C)C(C)CC(=O)O Amb18642614 [1,0,0,0,0,0|3,0,0]=4 163 B8R0.23 C=C(C)C(N)CC(=O)O Amb2697570 [1,0,0,0,0,0|3,0,0]=4 164 B8R0.23 C=C(C)C(O)CC(=O)O Amb18642756 [1,0,0,0,0,0|2,1,0]=4 165 B8R0.23 C=C(C)CC(C)C(=O)O Amb24471924 [1,0,0,0,0,0|3,0,0]=4 166 B8R0.23 C=C(C)CC(N)C(=O)O Amb6280366 [1,0,0,0,0,0|3,0,0]=4 167 B8R0.23 C=C(C)CC(O)C(=O)O Amb24534477 [1,0,0,0,0,0|2,1,0]=4 168 B8R0.23 C=C(C)C[C@@H](C)C(=O)O Amb24340253 [1,0,0,0,0,0|3,0,0]=4 169 B8R0.23 C=C(C)C[C@@H](N)C(=O)O Amb22801689 [1,0,0,0,0,0|3,0,0]=4 170 B8R0.23 C=C(C)C[C@H](C)C(=O)O Amb10843988 [1,0,0,0,0,0|3,0,0]=4 171 B8R0.23 C=C(C)C[C@H](N)C(=O)O Amb25757900 [1,0,0,0,0,0|3,0,0]=4 172 B8R0.23 C=C(C)[C@@H](O)CC(=O)O Amb25789715 [1,0,0,0,0,0|2,1,0]=4 173 B8R0.23 C=C(C)[C@H](C)CC(=O)O Amb27447241 [1,0,0,0,0,0|3,0,0]=4 174 B8R0.23 C=C(C)[C@H](O)CC(=O)O Amb28286173 [1,0,0,0,0,0|2,1,0]=4 175 B8R0.23 C=C(CC(=O)O)C(=O)O Amb6608656 [1,0,0,0,0,0|1,0,1]=3 176 B8R0.23 C=C(CC(=O)O)C(C)=O Amb27831643 [1,0,0,0,0,0|2,0,1]=4 177 B8R0.23 C=C(CC(=O)O)C(N)=O Amb22011744 [1,0,0,0,0,0|2,0,1]=4 178 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb24411473 [1,0,0,0,0,0|3,0,0]=4 179 B8R0.23 C=C(Cl)CC(N)C(=O)O Amb28935021 [1,0,0,0,0,0|3,0,0]=4 180 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660529 [1,0,0,0,0,0|3,0,0]=4 181 B8R0.23 C=C(Cl)C[C@@H](N)C(=O)O Amb32660530 [1,0,0,0,0,0|3,0,0]=4 182 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb28059492 [1,0,0,0,0,0|3,0,0]=4 183 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O Amb32656263 [1,0,0,0,0,0|3,0,0]=4 184 B8R0.23 C=C(F)CC(C)C(=O)O Amb27975781 [1,0,0,0,0,0|3,0,0]=4 185 B8R0.23 C=C(F)CC(Cl)C(=O)O Amb27876022 [1,0,0,0,0,0|3,0,0]=4 186 B8R0.23 C=C(F)C[C@@H](N)C(=O)O Amb27771842 [1,0,0,0,0,0|3,0,0]=4 187 B8R0.23 CC(=O)C(=O)CC(=O)O Amb17593364 [1,0,0,0,0,0|1,1,1]=4 188 B8R0.23 CC(=O)C(Br)CC(=O)O Amb27834306 [1,0,0,0,0,0|2,0,0]=3 189 B8R0.23 CC(=O)C(C)CC(=O)O Amb18292788 [1,0,0,0,0,0|2,0,0]=3 190 B8R0.23 CC(=O)C(N)CC(=O)O Amb2697582 [1,0,0,0,0,0|2,0,0]=3 191 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [1,0,0,0,0,0|3,0,0]=4 192 B8R0.23 CC(=O)C(O)CC(=O)O Amb25341886 [1,0,0,0,0,0|1,1,0]=3 193 B8R0.23 CC(=O)CC(=O)C(=O)O Amb18642736 [1,0,0,0,0,0|1,1,1]=4 194 B8R0.23 CC(=O)CC(C)C(=O)O Amb3939893 [1,0,0,0,0,0|2,0,0]=3 195 B8R0.23 CC(=O)CC(C)C(C)=O Amb26490545 [1,0,0,0,0,0|3,0,0]=4 196 B8R0.23 CC(=O)CC(N)C(=O)O Amb18832532 [1,0,0,0,0,0|2,0,0]=3 197 B8R0.23 CC(=O)CC(N)C(=O)O Amb22546289 [1,0,0,0,0,0|2,0,0]=3 198 B8R0.23 CC(=O)CC(N)C(N)=O Amb27485103 [1,0,0,0,0,0|3,0,0]=4 199 B8R0.23 CC(=O)CC(O)C(=O)O Amb22500917 [1,0,0,0,0,0|1,1,0]=3 200 B8R0.23 CC(=O)C[C@@H](N)C(=O)O Amb22745939 [1,0,0,0,0,0|2,0,0]=3 201 B8R0.23 CC(=O)C[C@@H](O)C(=O)O Amb26845481 [1,0,0,0,0,0|1,1,0]=3 202 B8R0.23 CC(=O)C[C@H](C)C(=O)O Amb26318005 [1,0,0,0,0,0|2,0,0]=3 203 B8R0.23 CC(=O)C[C@H](C)C(C)=O Amb28051038 [1,0,0,0,0,0|3,0,0]=4 204 B8R0.23 CC(=O)C[C@H](N)C(=O)O Amb27832342 [1,0,0,0,0,0|2,0,0]=3 205 B8R0.23 CC(=O)C[C@H](O)C(=O)O Amb24358758 [1,0,0,0,0,0|1,1,0]=3 206 B8R0.23 CC(=O)N(C)CC(=O)O Amb33526797 [1,0,0,0,0,0|3,0,0]=4 207 B8R0.23 CC(=O)N(Cl)CC(=O)O Amb28366945 [1,0,0,0,0,0|3,0,0]=4 208 B8R0.23 CC(=O)NC(C)C(=O)O Amb9745652 [1,0,0,0,0,0|3,0,0]=4 209 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Amb8390375 [1,0,0,0,0,0|3,0,0]=4 210 B8R0.23 CC(=O)N[C@H](C)C(=O)O Amb19944277 [1,0,0,0,0,0|3,0,0]=4 211 B8R0.23 CC(=O)OC(C)C(=O)O Amb22360672 [1,0,0,0,0,0|3,0,0]=4 212 B8R0.23 CC(=O)O[C@@H](C)C(=O)O Amb3938984 [1,0,0,0,0,0|3,0,0]=4 213 B8R0.23 CC(=O)O[C@H](C)C(=O)O Amb26458759 [1,0,0,0,0,0|3,0,0]=4 214 B8R0.23 CC(=O)S[C@@H](C)C(=O)O Amb26639910 [1,0,0,0,0,0|3,0,0]=4 215 B8R0.23 CC(=O)S[C@H](C)C(=O)O Amb28118658 [1,0,0,0,0,0|3,0,0]=4 216 B8R0.23 CC(=O)[C@@H](N)CC(N)=O Amb28044564 [1,0,0,0,0,0|3,0,0]=4 217 B8R0.23 CC(=O)[C@@H](O)CC(=O)O Amb28398474 [1,0,0,0,0,0|1,1,0]=3 218 B8R0.23 CC(=O)[C@H](C)CC(=O)O Amb25360184 [1,0,0,0,0,0|2,0,0]=3 219 B8R0.23 CC(C)CC(S)C(=O)O Amb18296292 [1,0,0,0,0,0|2,0,1]=4 220 B8R0.23 CC(C)C[C@@H](S)C(=O)O Amb27786874 [1,0,0,0,0,0|2,0,1]=4 221 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [1,0,0,0,0,0|3,0,0]=4 222 B8R0.23 CC(CC(=O)O)C(=O)O Amb1935053 [1,0,0,0,0,0|1,0,0]=2 223 B8R0.23 CC(CC(=O)O)C(N)=O Amb25737942 [1,0,0,0,0,0|2,0,0]=3 224 B8R0.23 CC(CC(=O)O)N(C)O Amb27639550 [1,0,0,0,0,0|3,0,0]=4 225 B8R0.23 CC(CC(N)=O)C(=O)O Amb27596628 [1,0,0,0,0,0|2,0,0]=3 226 B8R0.23 CC(CC(N)=O)C(N)=O Amb2720769 [1,0,0,0,0,0|3,0,0]=4 227 B8R0.23 CC(CS(=O)O)C(=O)O Amb28118949 [1,0,0,0,0,0|2,0,0]=3 228 B8R0.23 CC(CS(C)=O)C(=O)O Amb18974546 [1,0,0,0,0,0|3,0,0]=4 229 B8R0.23 CC(C[PH](=O)O)C(=O)O Amb27477749 [1,0,0,0,0,0|2,0,0]=3 230 B8R0.23 CC(NC(N)=O)C(=O)O Amb9745673 [1,0,0,0,0,0|3,0,0]=4 231 B8R0.23 CC(O)C(N)CC(=O)O Amb27424723 [1,0,0,0,0,0|2,0,1]=4 232 B8R0.23 CC(O)CC(N)C(=O)O Amb18642918 [1,0,0,0,0,0|2,0,1]=4 233 B8R0.23 CC(O)C[C@@H](N)C(=O)O Amb26985188 [1,0,0,0,0,0|2,0,1]=4 234 B8R0.23 CC(O)C[C@H](N)C(=O)O Amb27185464 [1,0,0,0,0,0|2,0,1]=4 235 B8R0.23 CC(OC(=O)Cl)C(=O)O Amb27241520 [1,0,0,0,0,0|3,0,0]=4 236 B8R0.23 CN(CC(=O)O)C(=O)Cl Amb27484119 [1,0,0,0,0,0|3,0,0]=4 237 B8R0.23 CN(CC(=O)O)C(N)=O Amb2371395 [1,0,0,0,0,0|3,0,0]=4 238 B8R0.23 CS(=O)CC(N)C(=O)O Amb18125279 [1,0,0,0,0,0|3,0,0]=4 239 B8R0.23 CS(=O)C[C@@H](N)C(=O)O Amb22745418 [1,0,0,0,0,0|3,0,0]=4 240 B8R0.23 CS(=O)C[C@H](N)C(=O)O Amb16232229 [1,0,0,0,0,0|3,0,0]=4 241 B8R0.23 C[C@@H](CC(=O)O)C(=O)O Amb22226742 [1,0,0,0,0,0|1,0,0]=2 242 B8R0.23 C[C@@H](NC(N)=O)C(=O)O Amb27242972 [1,0,0,0,0,0|3,0,0]=4 243 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O Amb27254158 [1,0,0,0,0,0|2,0,1]=4 244 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Amb22168848 [1,0,0,0,0,0|2,0,1]=4 245 B8R0.23 C[C@@H](OC(N)=O)C(=O)O Amb35655773 [1,0,0,0,0,0|3,0,0]=4 246 B8R0.23 C[C@H](CC(=O)O)C(=O)O Amb22225399 [1,0,0,0,0,0|1,0,0]=2 247 B8R0.23 C[C@H](CC(=O)O)C(N)=O Amb28133461 [1,0,0,0,0,0|2,0,0]=3 248 B8R0.23 C[C@H](CC(=O)O)S(C)=O Amb27410588 [1,0,0,0,0,0|3,0,0]=4 249 B8R0.23 C[C@H](NC(N)=O)C(=O)O Amb545023 [1,0,0,0,0,0|3,0,0]=4 250 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O Amb16184021 [1,0,0,0,0,0|2,0,1]=4 251 B8R0.23 C[S@@](=O)C[C@H](N)C(=O)O Amb35789128 [1,0,0,0,0,0|3,0,0]=4 252 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb33756818 [1,0,0,0,0,0|3,0,0]=4 253 B8R0.23 C[S@](=O)C[C@H](N)C(=O)O Amb35788678 [1,0,0,0,0,0|3,0,0]=4 254 B8R0.23 C\C(=C/C(=O)O)C(=O)O Amb9703112 [1,0,0,0,0,0|1,0,2]=4 255 B8R0.23 C\C(=C\C(=O)O)C(=O)O Amb8391132 [1,0,0,0,0,0|1,0,2]=4 256 B8R0.23 NC(=O)C(N)CC(=O)O Amb18124347 [1,0,0,0,0,0|2,0,0]=3 257 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666212 [1,0,0,0,0,0|2,0,0]=3 258 B8R0.23 NC(=O)C(N)CC(=O)O Amb32666239 [1,0,0,0,0,0|2,0,0]=3 259 B8R0.23 NC(=O)C(O)CC(=O)[O-] Amb33068981 [1,0,0,0,0,0|1,1,1]=4 260 B8R0.23 NC(=O)CC(Br)C(=O)O Amb26012685 [1,0,0,0,0,0|2,0,0]=3 261 B8R0.23 NC(=O)CC(Cl)C(=O)O Amb27478086 [1,0,0,0,0,0|2,0,0]=3 262 B8R0.23 NC(=O)CC(N)C(=O)O Amb2725509 [1,0,0,0,0,0|2,0,0]=3 263 B8R0.23 NC(=O)CC(N)C(=O)O Amb3940878 [1,0,0,0,0,0|2,0,0]=3 264 B8R0.23 NC(=O)CC(N)C(N)=O Amb18289248 [1,0,0,0,0,0|3,0,0]=4 265 B8R0.23 NC(=O)CC(O)C(=O)O Amb27807542 [1,0,0,0,0,0|1,1,0]=3 266 B8R0.23 NC(=O)CC(O)C(N)=O Amb27961515 [1,0,0,0,0,0|2,1,0]=4 267 B8R0.23 NC(=O)CC(S)C(=O)O Amb27494183 [1,0,0,0,0,0|1,0,0]=2 268 B8R0.23 NC(=O)C[C@@H](Br)C(=O)O Amb27858620 [1,0,0,0,0,0|2,0,0]=3 269 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb10071271 [1,0,0,0,0,0|2,0,0]=3 270 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Amb17749060 [1,0,0,0,0,0|2,0,0]=3 271 B8R0.23 NC(=O)C[C@@H](N)C(N)=O Amb28423711 [1,0,0,0,0,0|3,0,0]=4 272 B8R0.23 NC(=O)C[C@@H](O)C(=O)O Amb24681022 [1,0,0,0,0,0|1,1,0]=3 273 B8R0.23 NC(=O)C[C@@H](O)C(N)=O Amb27258074 [1,0,0,0,0,0|2,1,0]=4 274 B8R0.23 NC(=O)C[C@@H](S)C(=O)O Amb27234637 [1,0,0,0,0,0|1,0,0]=2 275 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb3940760 [1,0,0,0,0,0|2,0,0]=3 276 B8R0.23 NC(=O)C[C@H](N)C(=O)O Amb8513755 [1,0,0,0,0,0|2,0,0]=3 277 B8R0.23 NC(=O)C[C@H](N)C(N)=O Amb16183882 [1,0,0,0,0,0|3,0,0]=4 278 B8R0.23 NC(=O)C[C@H](S)C(=O)O Amb27253643 [1,0,0,0,0,0|1,0,0]=2 279 B8R0.23 NC(=O)N(N)CC(=O)O Amb6296397 [1,0,0,0,0,0|3,0,0]=4 280 B8R0.23 NC(=O)NC(O)C(=O)O Amb24592607 [1,0,0,0,0,0|2,1,0]=4 281 B8R0.23 NC(=O)N[C@@H](O)C(=O)O Amb28287313 [1,0,0,0,0,0|2,1,0]=4 282 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb19334954 [1,0,0,0,0,0|2,0,0]=3 283 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb31291739 [1,0,0,0,0,0|2,0,0]=3 284 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Amb32652393 [1,0,0,0,0,0|2,0,0]=3 285 B8R0.23 NC(=O)[C@H](N)CC(=O)O Amb27768775 [1,0,0,0,0,0|2,0,0]=3 286 B8R0.23 NC(=S)C[C@H](N)C(=O)O Amb28410343 [1,0,0,0,0,0|2,1,0]=4 287 B8R0.23 NC(CB(O)O)C(=O)O Amb28285179 [1,0,0,0,0,0|2,0,1]=4 288 B8R0.23 NC(CB(O)O)C(=O)O Amb33803309 [1,0,0,0,0,0|2,0,1]=4 289 B8R0.23 NC(CC(=O)O)C(=O)O Amb9702780 [1,0,0,0,0,0|1,0,0]=2 290 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22167994 [1,0,0,0,0,0|1,0,1]=3 291 B8R0.23 NC(CC(=O)O)C(=O)[O-] Amb22337568 [1,0,0,0,0,0|1,0,1]=3 292 B8R0.23 NC(CS(=O)O)C(=O)O Amb541272 [1,0,0,0,0,0|2,0,0]=3 293 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb34163080 [1,0,0,0,0,0|1,0,0]=2 294 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Amb3940320 [1,0,0,0,0,0|1,0,0]=2 295 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] Amb22801032 [1,0,0,0,0,0|1,0,1]=3 296 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb20240565 [1,0,0,0,0,0|1,0,1]=3 297 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O Amb22748769 [1,0,0,0,0,0|1,0,1]=3 298 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] Amb22757383 [1,0,0,0,0,0|1,0,2]=4 299 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb6600148 [1,0,0,0,0,0|2,0,0]=3 300 B8R0.23 N[C@@H](CS(=O)O)C(=O)O Amb9809803 [1,0,0,0,0,0|2,0,0]=3 301 B8R0.23 N[C@@H](C[SH](=O)=O)C(=O)O Amb27858626 [1,0,0,0,0,0|2,0,1]=4 302 B8R0.23 N[C@H](CC(=O)O)C(=O)O Amb6599992 [1,0,0,0,0,0|1,0,0]=2 303 B8R0.23 O=C(Cl)CC(Cl)C(=O)Cl Amb28122555 [1,0,0,0,0,0|3,0,0]=4 304 B8R0.23 O=C(O)C(=O)C[PH](=O)O Amb27218009 [1,0,0,0,0,0|1,1,1]=4 305 B8R0.23 O=C(O)C(O)CC(O)O Amb28397948 [1,0,0,0,0,0|0,1,2]=4 306 B8R0.23 O=C(O)C(O)C[N+](=O)[O-] Amb6883775 [1,0,0,0,0,0|1,1,1]=4 307 B8R0.23 O=C(O)CC(=O)C(=O)O Amb3909986 [1,0,0,0,0,0|0,1,1]=3 308 B8R0.23 O=C(O)CC(=S)C(=O)O Amb25304511 [1,0,0,0,0,0|0,0,2]=3 309 B8R0.23 O=C(O)CC(Br)C(=O)O Amb3941503 [1,0,0,0,0,0|1,0,0]=2 310 B8R0.23 O=C(O)CC(Cl)C(=O)O Amb9825869 [1,0,0,0,0,0|1,0,0]=2 311 B8R0.23 O=C(O)CC(O)C(=O)O Amb8513238 [1,0,0,0,0,0|0,1,0]=2 312 B8R0.23 O=C(O)CC(S)C(=O)O Amb2779994 [1,0,0,0,0,0|0,0,0]=1 313 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O Amb22504149 [1,0,0,0,0,0|1,0,0]=2 314 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O Amb20242424 [1,0,0,0,0,0|1,0,0]=2 315 B8R0.23 O=C(O)C[C@@H](F)C(=O)O Amb27173500 [1,0,0,0,0,0|1,0,0]=2 316 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Amb4166311 [1,0,0,0,0,0|0,1,0]=2 317 B8R0.23 O=C(O)C[C@H](Br)C(=O)O Amb8629197 [1,0,0,0,0,0|1,0,0]=2 318 B8R0.23 O=C(O)C[C@H](Cl)C(=O)O Amb20242425 [1,0,0,0,0,0|1,0,0]=2 319 B8R0.23 O=C(O)C[C@H](F)C(=O)O Amb27167819 [1,0,0,0,0,0|1,0,0]=2 320 B8R0.23 O=C(O)C[C@H](O)C(=O)O Amb6599993 [1,0,0,0,0,0|0,1,0]=2 321 B8R0.23 O=C(O)\C=C(/Br)C(=O)O Amb31275762 [1,0,0,0,0,0|1,0,2]=4 322 B8R0.23 O=C(O)\C=C(/Cl)C(=O)O Amb4007497 [1,0,0,0,0,0|1,0,2]=4 323 B8R0.23 O=C(O)\C=C(/F)C(=O)O Amb26860064 [1,0,0,0,0,0|1,0,2]=4 324 B8R0.23 O=C(O)\C=C(/I)C(=O)O Amb10755055 [1,0,0,0,0,0|1,0,2]=4 325 B8R0.23 O=C(O)\C=C(\Br)C(=O)O Amb25746120 [1,0,0,0,0,0|1,0,2]=4 326 B8R0.23 O=C(O)\C=C(\F)C(=O)O Amb18124397 [1,0,0,0,0,0|1,0,2]=4 327 B8R0.23 O=C([O-])CC(O)C(=O)[O-] Amb30876864 [1,0,0,0,0,0|0,1,2]=4 328 B8R0.23 O=C([O-])C[C@H](O)C(=O)[O-] Amb22351833 [1,0,0,0,0,0|0,1,2]=4 329 B10R0.56 CC(=O)[C@@H](O)[C@@H](O)C(=O)CO Amb27672418 [0,1,0,0,0,0|1,2,0]=4 330 B10R0.56 CCC(=O)[C@@H](C)[C@H](N)C(=O)O Amb27990250 [0,1,0,0,0,0|3,0,0]=4 331 B10R0.56 CCC(=O)[C@H](C)[C@H](N)C(=O)O Amb27990251 [0,1,0,0,0,0|3,0,0]=4 332 B10R0.56 CNC(=O)C(O)C(O)C(=O)O Amb27176596 [0,1,0,0,0,0|1,2,0]=4 333 B10R0.56 CNC(=O)[C@H](O)[C@@H](O)C(=O)O Amb27617308 [0,1,0,0,0,0|1,2,0]=4 334 B10R0.56 COC(=O)C(C)C(C)C(C)=O Amb27672526 [0,1,0,0,0,0|3,0,0]=4 335 B10R0.56 COC(=O)C(F)C(N)C(=O)O Amb27671674 [0,1,0,0,0,0|2,0,0]=3 336 B10R0.56 COC(=O)C(F)[C@H](N)C(=O)O Amb26083722 [0,1,0,0,0,0|2,0,0]=3 337 B10R0.56 COC(=O)C(N)C(C)C(=O)O Amb27673475 [0,1,0,0,0,0|2,0,0]=3 338 B10R0.56 COC(=O)C(O)C(C)C(C)=O Amb27673836 [0,1,0,0,0,0|2,1,0]=4 339 B10R0.56 COC(=O)C(O)C(N)C(=O)O Amb18645752 [0,1,0,0,0,0|1,1,0]=3 340 B10R0.56 COC(=O)C(O)C(O)C(=O)O Amb25384902 [0,1,0,0,0,0|0,2,0]=3 341 B10R0.56 COC(=O)N(C)C(C)C(=O)O Amb18299738 [0,1,0,0,0,0|3,0,0]=4 342 B10R0.56 COC(=O)N(C)[C@@H](C)C(=O)O Amb26659556 [0,1,0,0,0,0|3,0,0]=4 343 B10R0.56 COC(=O)N(C)[C@H](C)C(=O)O Amb33726089 [0,1,0,0,0,0|3,0,0]=4 344 B10R0.56 COC(=O)[C@@H](C)[C@@H](C)C(C)=O Amb27672272 [0,1,0,0,0,0|3,0,0]=4 345 B10R0.56 COC(=O)[C@@H](C)[C@H](C)C(=O)O Amb27990012 [0,1,0,0,0,0|2,0,0]=3 346 B10R0.56 COC(=O)[C@@H](O)[C@H](N)C(=O)O Amb27271132 [0,1,0,0,0,0|1,1,0]=3 347 B10R0.56 COC(=O)[C@@H](O)[C@H](O)C(=O)O Amb24764738 [0,1,0,0,0,0|0,2,0]=3 348 B10R0.56 COC(=O)[C@H](O)[C@@H](C)C(C)=O Amb27672220 [0,1,0,0,0,0|2,1,0]=4 349 B10R0.56 COC(=O)[C@H](O)[C@@H](O)C(=O)O Amb24763072 [0,1,0,0,0,0|0,2,0]=3 350 B10R0.56 N[C@@H](C(=O)O)[C@H](O)C(=O)NO Amb27823329 [0,1,0,0,0,0|1,1,0]=3 351 B10R0.56 O=C(O)[C@@H](O)[C@H](O)C(=O)CO Amb27988486 [0,1,0,0,0,0|0,2,0]=3 352 B10R0.56 O=C[C@H](O)[C@@H](O)[C@H](O)C(=O)O Amb27990018 [0,1,0,0,0,0|0,2,1]=4 353 B10R0.76 CC(C(=O)O)C(NO)C(=O)O Amb27673476 [0,1,0,0,0,0|1,1,0]=3 354 B10R0.76 CCC(C(=O)O)C(O)C(=O)O Amb25386294 [0,1,0,0,0,0|1,1,0]=3 355 B10R0.76 CC[C@@H](C(=O)O)[C@@H](O)C(=O)O Amb27990177 [0,1,0,0,0,0|1,1,0]=3 356 B10R0.76 CC[C@H](C(=O)O)[C@@H](C)C(=O)O Amb27269197 [0,1,0,0,0,0|2,0,0]=3 357 B10R0.76 CC[C@H](C(=O)O)[C@H](C)C(=O)O Amb27990007 [0,1,0,0,0,0|2,0,0]=3 358 B10R0.76 CO[C@H](C(=O)O)[C@@H](O)C(=O)O Amb27990020 [0,1,0,0,0,0|0,2,0]=3 359 B10R0.76 C[C@H](C(=O)O)[C@H](NN)C(=O)O Amb27272552 [0,1,0,0,0,0|2,0,0]=3 360 B10R0.76 N#CC(C(=O)O)C(N)C(=O)O Amb27974151 [0,1,0,0,0,0|2,0,0]=3 361 B10R0.76 NC(C(=O)O)C(CO)C(=O)O Amb27988471 [0,1,0,0,0,0|1,1,0]=3 362 B10R0.76 NCC(C(=O)O)[C@H](N)C(=O)O Amb25384089 [0,1,0,0,0,0|2,0,0]=3 363 B10R0.76 NN[C@H](C(=O)O)[C@H](Cl)C(=O)O Amb27272395 [0,1,0,0,0,0|2,0,0]=3 364 B10R0.76 N[C@H](C(=O)O)C(CO)C(=O)O Amb25384088 [0,1,0,0,0,0|1,1,0]=3 365 B10R0.117 CC(C(=O)O)C(C)(Cl)C(=O)O Amb27456129 [0,1,0,0,0,0|2,0,0]=3 366 B10R0.117 CC(C(=O)O)C(C)(N)C(=O)O Amb27791829 [0,1,0,0,0,0|2,0,0]=3 367 B10R0.117 CC(C(=O)O)C(C)(S)C(=O)O Amb27429072 [0,1,0,0,0,0|1,0,0]=2 368 B10R0.117 CC(C)(C(=O)O)C(Br)C(=O)O Amb25089525 [0,1,0,0,0,0|2,0,0]=3 369 B10R0.117 CC(C)(C(=O)O)C(N)C(=O)O Amb27232768 [0,1,0,0,0,0|2,0,0]=3 370 B10R0.117 CC(C)(C(=O)O)C(O)C(=O)O Amb18126316 [0,1,0,0,0,0|1,1,0]=3 371 B10R0.117 CC(C)(C(N)C(=O)O)S(=O)O Amb24487834 [0,1,0,0,0,0|3,0,0]=4 372 B10R0.117 CC(Cl)(C(N)=O)C(O)C(=O)O Amb27845428 [0,1,0,0,0,0|2,1,0]=4 373 B10R0.117 C[C@@H](C(=O)O)[C@](C)(N)C(=O)O Amb28141183 [0,1,0,0,0,0|2,0,0]=3 374 B10R0.117 C[C@@H](C(=O)O)[C@](C)(O)C(=O)O Amb27876050 [0,1,0,0,0,0|1,1,0]=3 375 B10R0.117 C[C@@](O)(C(=O)O)[C@H](O)C(=O)O Amb28385578 [0,1,0,0,0,0|0,2,0]=3 376 B10R0.117 C[C@H](C(=O)O)[C@@](C)(Cl)C(=O)O Amb28070747 [0,1,0,0,0,0|2,0,0]=3 377 B10R0.117 C[C@H](C(=O)O)[C@](C)(O)C(=O)O Amb27483589 [0,1,0,0,0,0|1,1,0]=3 378 B10R0.117 NC(C(=O)O)C(F)(F)C(=O)O Amb24558165 [0,1,0,0,0,0|2,0,0]=3 379 B10R0.117 N[C@@H](C(=O)O)C(F)(F)C(=O)O Amb26566062 [0,1,0,0,0,0|2,0,0]=3 380 B10R0.117 O=C(O)C(O)C(F)(F)C(=O)O Amb27650600 [0,1,0,0,0,0|1,1,0]=3 381 B10R0.154 CC(C(N)C(=O)O)P(=O)(O)O Amb28341378 [0,1,0,0,0,0|3,0,0]=4 382 B10R1.116 O=C(O)C(O)C1CCC1=O Amb28349882 [0,0,0,1,0,0|2,1,0]=4 383 B10R1.194 CC(=O)C1COC(=O)C1C Amb27863667 [0,0,0,1,0,0|3,0,0]=4 384 B10R1.194 CC(=O)[C@@H]1COC(=O)[C@@H]1C Amb18202639 [0,0,0,1,0,0|3,0,0]=4 385 B10R1.194 CC1C(=O)C=CC1C(=O)O Amb27408528 [0,0,0,1,0,0|3,0,0]=4 386 B10R1.194 CC1C(=O)NCC1C(=O)O Amb27660444 [0,0,0,1,0,0|3,0,0]=4 387 B10R1.194 CC1C(=O)OCC1C(=O)O Amb4022599 [0,0,0,1,0,0|2,0,0]=3 388 B10R1.194 CN1C(=O)OCC1C(=O)O Amb25800781 [0,0,0,1,0,0|3,0,0]=4 389 B10R1.194 CN1C(=O)OC[C@@H]1C(=O)O Amb32673921 [0,0,0,1,0,0|3,0,0]=4 390 B10R1.194 C[C@@H]1C(=O)OC[C@H]1C(=O)O Amb28429847 [0,0,0,1,0,0|2,0,0]=3 391 B10R1.194 C[C@H]1C(=O)CC[C@H]1C(=O)O Amb27778459 [0,0,0,1,0,0|3,0,0]=4 392 B10R1.194 C[C@H]1C(=O)CN[C@@H]1C(=O)O Amb18831599 [0,0,0,1,0,0|3,0,0]=4 393 B10R1.194 C[C@H]1C(=O)NC[C@@H]1C(=O)O Amb27858486 [0,0,0,1,0,0|3,0,0]=4 394 B10R1.194 NC1C(=O)NCC1C(=O)O Amb25683449 [0,0,0,1,0,0|3,0,0]=4 395 B10R1.194 NC1C(=O)NCC1C(=O)O Amb32721524 [0,0,0,1,0,0|3,0,0]=4 396 B10R1.194 N[C@H]1C(=O)NC[C@@H]1C(=O)O Amb25230623 [0,0,0,1,0,0|3,0,0]=4 397 B10R1.194 N[C@H]1C(=O)NC[C@@H]1C(=O)O Amb32992773 [0,0,0,1,0,0|3,0,0]=4 398 B10R1.194 O=C1OCC(C(=O)O)C1O Amb26405203 [0,0,0,1,0,0|1,1,0]=3 399 B10R1.360 CC(=O)C1(Br)CC1C(=O)O Amb28204025 [0,0,0,1,0,0|3,0,0]=4 400 B10R1.360 CC1(C(=O)O)CC1C(=O)O Amb612291 [0,0,0,1,0,0|2,0,0]=3 401 B10R1.360 C[C@@]1(C(=O)O)C[C@@H]1C(=O)O Amb24598825 [0,0,0,1,0,0|2,0,0]=3 402 B10R1.360 C[C@@]1(C(=O)O)O[C@@H]1C(=O)O Amb25340526 [0,0,0,1,0,0|1,1,0]=3 403 B10R1.360 C[C@]1(C(=O)O)C[C@@H]1C(=O)O Amb27420123 [0,0,0,1,0,0|2,0,0]=3 404 B10R1.360 C[C@]1(C(=O)O)C[C@H]1C(=O)O Amb27969184 [0,0,0,1,0,0|2,0,0]=3 405 B10R1.360 NC1(C(=O)O)CC1C(=O)O Amb25124900 [0,0,0,1,0,0|2,0,0]=3 406 B10R1.360 N[C@@]1(C(=O)O)C[C@H]1C(=O)O Amb24515142 [0,0,0,1,0,0|2,0,0]=3 407 B10R1.360 N[C@]1(C(=O)O)C[C@H]1C(=O)O Amb23452828 [0,0,0,1,0,0|2,0,0]=3 408 B10R1.360 O=C(O)C1CC1(Br)C(=O)O Amb27770448 [0,0,0,1,0,0|2,0,0]=3 409 B10R1.360 O=C(O)C1CC1(Cl)C(=O)O Amb27838075 [0,0,0,1,0,0|2,0,0]=3 410 B10R1.360 O=C(O)C1CC1(O)C(=O)O Amb27975726 [0,0,0,1,0,0|1,1,0]=3 411 B10R1.360 O=C(O)[C@@H]1C[C@@]1(Br)C(=O)O Amb27213790 [0,0,0,1,0,0|2,0,0]=3 412 B10R1.360 O=C(O)[C@H]1C[C@@]1(Br)C(=O)O Amb27969089 [0,0,0,1,0,0|2,0,0]=3 413 B10R1.360 O=C(O)[C@H]1C[C@@]1(Cl)C(=O)O Amb27984863 [0,0,0,1,0,0|2,0,0]=3 414 B10R1.361 CC(=O)[C@H]1CC[C@@H]1C(=O)O Amb28252580 [0,0,0,1,0,0|3,0,0]=4 415 B10R1.361 NC(=O)C1CCC1C(=O)O Amb26027341 [0,0,0,1,0,0|3,0,0]=4 416 B10R1.361 NC(=O)[C@@H]1CC[C@@H]1C(=O)O Amb27216173 [0,0,0,1,0,0|3,0,0]=4 417 B10R1.361 NC(=O)[C@@H]1CC[C@H]1C(=O)O Amb24366239 [0,0,0,1,0,0|3,0,0]=4 418 B10R1.361 O=C(O)C1CCC1C(=O)Cl Amb24753887 [0,0,0,1,0,0|3,0,0]=4 419 B10R1.361 O=C(O)C1CCC1C(=O)O Amb19373431 [0,0,0,1,0,0|2,0,0]=3 420 B10R1.361 O=C(O)[C@@H]1C=C[C@H]1C(=O)O Amb27469606 [0,0,0,1,0,0|2,0,0]=3 421 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O Amb2609028 [0,0,0,1,0,0|2,0,0]=3 422 B10R1.361 O=C(O)[C@@H]1CN[C@H]1C(=O)O Amb25956288 [0,0,0,1,0,0|2,0,0]=3 423 B10R1.361 O=C(O)[C@H]1C=C[C@H]1C(=O)O Amb27831905 [0,0,0,1,0,0|2,0,0]=3 424 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O Amb25267014 [0,0,0,1,0,0|2,0,0]=3 425 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O Amb16230761 [0,0,0,1,0,0|2,0,0]=3 426 B10R1.361 O=C(O)[C@H]1CN[C@@H]1C(=O)O Amb25225066 [0,0,0,1,0,0|2,0,0]=3 427 B10R1.361 O=C(O)[C@H]1NC[C@H]1C(=O)O Amb26967619 [0,0,0,1,0,0|2,0,0]=3 428 B10R0.13 CC(=O)C(C)C(C)CC(=O)O Amb18645031 [0,0,0,0,0,1|3,0,0]=4 429 B10R0.13 CC(=O)CC(C)C(C)C(=O)O Amb18126130 [0,0,0,0,0,1|3,0,0]=4 430 B10R0.13 CC(=O)NC(C)C(C)C(=O)O Amb28137397 [0,0,0,0,0,1|3,0,0]=4 431 B10R0.13 CC(=O)N[C@@H](C)[C@H](O)C(=O)O Amb27477763 [0,0,0,0,0,1|2,1,0]=4 432 B10R0.13 CC(=O)OC(C)C(N)C(=O)O Amb25385009 [0,0,0,0,0,1|3,0,0]=4 433 B10R0.13 CC(=O)O[C@@H](C)[C@@H](N)C(=O)O Amb22747815 [0,0,0,0,0,1|3,0,0]=4 434 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O Amb27272567 [0,0,0,0,0,1|3,0,0]=4 435 B10R0.13 CC(CC(=O)O)C(C)C(=O)O Amb4009129 [0,0,0,0,0,1|2,0,0]=3 436 B10R0.13 CC(CC(=O)O)C(N)C(=O)O Amb23440872 [0,0,0,0,0,1|2,0,0]=3 437 B10R0.13 CC(CC(=O)O)C(N)C(N)=O Amb27989322 [0,0,0,0,0,1|3,0,0]=4 438 B10R0.13 CC(CC(=O)O)[C@H](N)C(=O)O Amb26990553 [0,0,0,0,0,1|2,0,0]=3 439 B10R0.13 CC(CC(N)=O)C(N)C(=O)O Amb27989323 [0,0,0,0,0,1|3,0,0]=4 440 B10R0.13 CC(OC(N)=O)C(N)C(=O)O Amb26082810 [0,0,0,0,0,1|3,0,0]=4 441 B10R0.13 C[C@@H](CC(=O)O)[C@@H](N)C(=O)O Amb19133152 [0,0,0,0,0,1|2,0,0]=3 442 B10R0.13 C[C@@H](CC(=O)O)[C@H](N)C(=O)O Amb28388115 [0,0,0,0,0,1|2,0,0]=3 443 B10R0.13 C[C@H](CC(=O)O)[C@@H](N)C(=O)O Amb28388114 [0,0,0,0,0,1|2,0,0]=3 444 B10R0.13 C\C(=C/C(=O)O)C(O)C(=O)O Amb28119844 [0,0,0,0,0,1|1,1,1]=4 445 B10R0.13 NC(=O)C[C@@H](O)[C@@H](N)C(=O)O Amb27990186 [0,0,0,0,0,1|2,1,0]=4 446 B10R0.13 NC(=O)[C@@H](N)[C@H](O)CC(=O)O Amb27990184 [0,0,0,0,0,1|2,1,0]=4 447 B10R0.13 NC(=O)[C@H](N)[C@H](O)CC(=O)O Amb27990185 [0,0,0,0,0,1|2,1,0]=4 448 B10R0.13 NC(C(=O)O)C(O)CC(=O)O Amb25383245 [0,0,0,0,0,1|1,1,0]=3 449 B10R0.13 NC(C(=O)O)\C(Cl)=C\C(=O)O Amb24374819 [0,0,0,0,0,1|2,0,1]=4 450 B10R0.13 NC(CC(=O)O)C(O)C(=O)O Amb26083654 [0,0,0,0,0,1|1,1,0]=3 451 B10R0.13 NC(CC(=O)O)[C@H](N)C(=O)O Amb24764806 [0,0,0,0,0,1|2,0,0]=3 452 B10R0.13 N[C@@H](C(=O)O)[C@@H](O)CC(=O)O Amb27990015 [0,0,0,0,0,1|1,1,0]=3 453 B10R0.13 N[C@H](C(=O)O)C(F)CC(=O)O Amb26083316 [0,0,0,0,0,1|2,0,0]=3 454 B10R0.13 O=C(O)CC(Br)C(=O)C(=O)O Amb33756838 [0,0,0,0,0,1|1,1,1]=4 455 B10R0.93 C=C(CC(C)C(=O)O)C(=O)O Amb10844068 [0,0,0,0,0,1|2,0,1]=4 456 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Amb18126175 [0,0,0,0,0,1|2,0,1]=4 457 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O Amb33734644 [0,0,0,0,0,1|2,0,1]=4 458 B10R0.93 C=C(C[C@@H](N)C(=O)O)C(=O)O Amb27990014 [0,0,0,0,0,1|2,0,1]=4 459 B10R0.93 CC(=O)C(C)CC(C)C(=O)O Amb4014440 [0,0,0,0,0,1|3,0,0]=4 460 B10R0.93 CC(=O)C(C)SC(C)C(=O)O Amb28352063 [0,0,0,0,0,1|3,0,0]=4 461 B10R0.93 CC(=O)[C@@H](C)C[C@H](C)C(=O)O Amb27989934 [0,0,0,0,0,1|3,0,0]=4 462 B10R0.93 CC(CC(=O)C(=O)O)C(=O)O Amb26660388 [0,0,0,0,0,1|1,1,1]=4 463 B10R0.93 CC(CC(C)C(=O)O)C(=O)O Amb4014252 [0,0,0,0,0,1|2,0,0]=3 464 B10R0.93 CC(CC(N)C(=O)O)C(=O)O Amb23440871 [0,0,0,0,0,1|2,0,0]=3 465 B10R0.93 CC(C[C@@H](N)C(=O)O)C(=O)O Amb26999819 [0,0,0,0,0,1|2,0,0]=3 466 B10R0.93 CC(C[C@H](N)C(=O)O)C(=O)O Amb27000115 [0,0,0,0,0,1|2,0,0]=3 467 B10R0.93 CC(NC(=O)C(=O)O)C(=O)O Amb25108452 [0,0,0,0,0,1|1,1,1]=4 468 B10R0.93 CC(NC(C)C(=O)O)C(=O)O Amb18126275 [0,0,0,0,0,1|2,0,0]=3 469 B10R0.93 CC(N[C@@H](C)C(=O)O)C(=O)O Amb26659333 [0,0,0,0,0,1|2,0,0]=3 470 B10R0.93 CC(N[C@H](C)C(=O)O)C(=O)O Amb27266632 [0,0,0,0,0,1|2,0,0]=3 471 B10R0.93 CC(O[C@@H](C)C(=O)O)C(N)=O Amb27986323 [0,0,0,0,0,1|3,0,0]=4 472 B10R0.93 CC(SC(C)C(=O)O)C(=O)O Amb17501619 [0,0,0,0,0,1|2,0,0]=3 473 B10R0.93 CC(SC(C)C(=O)O)C(N)=O Amb9202524 [0,0,0,0,0,1|3,0,0]=4 474 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]=3 475 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]=3 476 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]=4 477 B10R0.93 C[C@@H](NC(=O)C(=O)O)C(=O)O Amb19893389 [0,0,0,0,0,1|1,1,1]=4 478 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]=3 479 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]=3 480 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]=3 481 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]=3 482 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]=3 483 B10R0.93 C\C(=C\C(C)C(=O)O)C(=O)O Amb23591115 [0,0,0,0,0,1|2,0,1]=4 484 B10R0.93 NC(=O)C(F)CC(N)C(=O)O Amb25386442 [0,0,0,0,0,1|3,0,0]=4 485 B10R0.93 NC(=O)C(F)C[C@H](N)C(=O)O Amb25383170 [0,0,0,0,0,1|3,0,0]=4 486 B10R0.93 NC(=O)C(O)C[C@H](N)C(=O)O Amb27990187 [0,0,0,0,0,1|2,1,0]=4 487 B10R0.93 NC(=O)[C@@H](F)C[C@@H](N)C(=O)O Amb10839752 [0,0,0,0,0,1|3,0,0]=4 488 B10R0.93 NC(=O)[C@@H](F)C[C@H](N)C(=O)O Amb10839753 [0,0,0,0,0,1|3,0,0]=4 489 B10R0.93 NC(=O)[C@@H](N)C[C@H](F)C(=O)O Amb10838207 [0,0,0,0,0,1|3,0,0]=4 490 B10R0.93 NC(=O)[C@H](F)C[C@@H](N)C(=O)O Amb25384972 [0,0,0,0,0,1|3,0,0]=4 491 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O Amb26083606 [0,0,0,0,0,1|3,0,0]=4 492 B10R0.93 NC(=O)[C@H](F)C[C@H](N)C(=O)O Amb33804028 [0,0,0,0,0,1|3,0,0]=4 493 B10R0.93 NC(CC(=O)C(=O)O)C(=O)O Amb27671651 [0,0,0,0,0,1|1,1,1]=4 494 B10R0.93 NC(CC(F)C(=O)O)C(=O)O Amb2688100 [0,0,0,0,0,1|2,0,0]=3 495 B10R0.93 NC(CC(N)C(=O)O)C(=O)O Amb24117887 [0,0,0,0,0,1|2,0,0]=3 496 B10R0.93 NC(CC(N)C(=O)O)C(=O)O Amb3994432 [0,0,0,0,0,1|2,0,0]=3 497 B10R0.93 N[C@@H](CC(F)C(=O)O)C(=O)O Amb22800491 [0,0,0,0,0,1|2,0,0]=3 498 B10R0.93 N[C@@H](CC(O)C(=O)O)C(=O)O Amb27492043 [0,0,0,0,0,1|1,1,0]=3 499 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]=3 500 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]=3 501 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O Amb6600059 [0,0,0,0,0,1|1,1,0]=3 502 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]=3 503 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]=3 504 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O Amb22800665 [0,0,0,0,0,1|1,1,0]=3 505 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O Amb24117514 [0,0,0,0,0,1|1,1,0]=3 506 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]=3 507 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]=3 508 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]=3 509 B10R0.93 O=C(O)C(=O)CC(O)C(=O)O Amb17615458 [0,0,0,0,0,1|0,2,1]=4 510 B10R0.93 O=C(O)C(Br)CC(Br)C(=O)O Amb17621581 [0,0,0,0,0,1|2,0,0]=3 511 B10R0.93 O=C(O)C(O)SC(O)C(=O)O Amb17772308 [0,0,0,0,0,1|0,2,0]=3 512 B10R0.93 O=C(O)[C@@H](S)C[C@@H](S)C(=O)O Amb27990019 [0,0,0,0,0,1|0,0,0]=1 513 B10R0.93 [NH3+]C(CC(O)C(=O)O)C(=O)[O-] Amb25385683 [0,0,0,0,0,1|1,1,1]=4 514 B7R0.2 C=CC(C)CC(=O)O Amb18641774 [2,0,0,0,0,0|2,0,0]=4 515 B7R0.2 C=CC(N)CC(=O)O Amb22641963 [2,0,0,0,0,0|2,0,0]=4 516 B7R0.2 C=CC(N)CC(=O)O Amb31307621 [2,0,0,0,0,0|2,0,0]=4 517 B7R0.2 C=CC(O)CC(=O)O Amb18641866 [2,0,0,0,0,0|1,1,0]=4 518 B7R0.2 C=C[C@@H](C)CC(=O)O Amb27868377 [2,0,0,0,0,0|2,0,0]=4 519 B7R0.2 C=C[C@@H](N)CC(=O)O Amb28315938 [2,0,0,0,0,0|2,0,0]=4 520 B7R0.2 C=C[C@H](C)CC(=O)O Amb25791667 [2,0,0,0,0,0|2,0,0]=4 521 B7R0.2 CC(=O)C[C@@H](C)C=O Amb27470883 [2,0,0,0,0,0|2,0,0]=4 522 B7R0.2 CC(=O)C[C@H](C)C=O Amb24379584 [2,0,0,0,0,0|2,0,0]=4 523 B7R0.2 CC(CO)CC(=O)O Amb18198168 [2,0,0,0,0,0|1,0,1]=4 524 B7R0.2 C[C@H](CO)CC(=O)O Amb28040661 [2,0,0,0,0,0|1,0,1]=4 525 B7R0.2 NC(C=O)CC(=O)O Amb27669608 [2,0,0,0,0,0|1,0,0]=3 526 B7R0.2 N[C@@H](CO)CC(=O)O Amb16184020 [2,0,0,0,0,0|1,0,1]=4 527 B7R0.2 N[C@@H](CO)CC(=O)O Amb22388520 [2,0,0,0,0,0|1,0,1]=4 528 B7R0.2 N[C@H](C=O)CC(=O)O Amb28428447 [2,0,0,0,0,0|1,0,0]=3 529 B7R0.2 N[C@H](CO)CC(=O)O Amb2694944 [2,0,0,0,0,0|1,0,1]=4 530 B7R0.2 O=C(O)CC(O)CO Amb28120003 [2,0,0,0,0,0|0,1,1]=4 531 B7R0.2 O=C(O)C[C@H](O)CO Amb26353423 [2,0,0,0,0,0|0,1,1]=4 532 B7R0.2 O=CN(O)CC(=O)O Amb25367291 [2,0,0,0,0,0|1,1,0]=4 533 B7R0.5 C=CCC(C)C(=O)O Amb33545044 [2,0,0,0,0,0|2,0,0]=4 534 B7R0.5 C=CCC(Cl)C(=O)O Amb25056173 [2,0,0,0,0,0|2,0,0]=4 535 B7R0.5 C=CCC(F)C(=O)O Amb28071391 [2,0,0,0,0,0|2,0,0]=4 536 B7R0.5 C=CCC(N)C(=O)O Amb21856826 [2,0,0,0,0,0|2,0,0]=4 537 B7R0.5 C=CCC(N)C(=O)O Amb9729145 [2,0,0,0,0,0|2,0,0]=4 538 B7R0.5 C=CC[C@@H](N)C(=O)O Amb22745310 [2,0,0,0,0,0|2,0,0]=4 539 B7R0.5 C=CC[C@@H](N)C(=O)O Amb8389451 [2,0,0,0,0,0|2,0,0]=4 540 B7R0.5 C=CC[C@H](N)C(=O)O Amb10982568 [2,0,0,0,0,0|2,0,0]=4 541 B7R0.5 C=CC[C@H](N)C(=O)O Amb2699115 [2,0,0,0,0,0|2,0,0]=4 542 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [2,0,0,0,0,0|2,0,0]=4 543 B7R0.5 CC(=O)C(S)CCO Amb25831127 [2,0,0,0,0,0|1,0,1]=4 544 B7R0.5 CC(=O)[C@H](O)CC=O Amb27446551 [2,0,0,0,0,0|1,1,0]=4 545 B7R0.5 CC(CC=O)C(=O)O Amb27952476 [2,0,0,0,0,0|1,0,0]=3 546 B7R0.5 CC(CCO)C(=O)O Amb18641949 [2,0,0,0,0,0|1,0,1]=4 547 B7R0.5 CC(CNO)C(=O)O Amb28315956 [2,0,0,0,0,0|2,0,0]=4 548 B7R0.5 CC(NC=O)C(=O)O Amb1144629 [2,0,0,0,0,0|2,0,0]=4 549 B7R0.5 CC(OC=O)C(=O)O Amb27872094 [2,0,0,0,0,0|2,0,0]=4 550 B7R0.5 CCCC(S)C(=O)O Amb18124440 [2,0,0,0,0,0|1,0,1]=4 551 B7R0.5 CCC[C@H](S)C(=O)O Amb28045752 [2,0,0,0,0,0|1,0,1]=4 552 B7R0.5 COCC(S)C(=O)O Amb27763656 [2,0,0,0,0,0|2,0,0]=4 553 B7R0.5 C[C@H](NC=O)C(=O)O Amb28323701 [2,0,0,0,0,0|2,0,0]=4 554 B7R0.5 NC(CCO)C(=O)O Amb8514287 [2,0,0,0,0,0|1,0,1]=4 555 B7R0.5 NC(CNO)C(=O)O Amb4092732 [2,0,0,0,0,0|2,0,0]=4 556 B7R0.5 N[C@@H](CCO)C(=O)O Amb20242705 [2,0,0,0,0,0|1,0,1]=4 557 B7R0.5 N[C@@H](CCO)C(=O)O Amb6600040 [2,0,0,0,0,0|1,0,1]=4 558 B7R0.5 N[C@H](CC=O)C(=O)O Amb27839576 [2,0,0,0,0,0|1,0,0]=3 559 B7R0.5 N[C@H](CCO)C(=O)O Amb4166299 [2,0,0,0,0,0|1,0,1]=4 560 B7R0.5 N[C@H](C[SH]=O)C(=O)O Amb27596028 [2,0,0,0,0,0|2,0,0]=4 561 B7R0.5 O=C(O)C(Br)CCO Amb28325416 [2,0,0,0,0,0|1,0,1]=4 562 B7R0.5 O=C(O)C(O)CCO Amb24689942 [2,0,0,0,0,0|0,1,1]=4 563 B7R0.5 O=C(O)C(O)CNO Amb27405525 [2,0,0,0,0,0|1,1,0]=4 564 B7R0.5 O=C(O)C(S)CCS Amb27634893 [2,0,0,0,0,0|0,1,1]=4 565 B7R0.5 O=CCC(=O)C(=O)O Amb26326260 [2,0,0,0,0,0|0,1,1]=4 566 B7R0.10 O=CC(O)C(O)C=O Amb26319267 [2,0,0,0,0,0|0,2,0]=4 567 B7R0.16 CC(C)C(S)C(=O)O Amb18282761 [2,0,0,0,0,0|1,0,1]=4 568 B7R0.16 CC(O)C(Br)C(=O)O Amb17594710 [2,0,0,0,0,0|2,0,0]=4 569 B7R0.16 CC(O)C(C)C(=O)O Amb17615515 [2,0,0,0,0,0|2,0,0]=4 570 B7R0.16 CC(O)C(Cl)C(=O)O Amb17593522 [2,0,0,0,0,0|2,0,0]=4 571 B7R0.16 CC(O)C(F)C(=O)O Amb33544667 [2,0,0,0,0,0|2,0,0]=4 572 B7R0.16 CC(O)C(N)C(=O)O Amb32665460 [2,0,0,0,0,0|2,0,0]=4 573 B7R0.16 CC(O)C(N)C(=O)O Amb9703096 [2,0,0,0,0,0|2,0,0]=4 574 B7R0.16 CC(O)C(O)C(=O)O Amb18124272 [2,0,0,0,0,0|1,1,0]=4 575 B7R0.16 CC(S)C(N)C(=O)O Amb17593434 [2,0,0,0,0,0|1,0,1]=4 576 B7R0.16 CC(S)[C@@H](N)C(=O)O Amb24606864 [2,0,0,0,0,0|1,0,1]=4 577 B7R0.16 C[C@@H](O)C(N)C(=O)O Amb26397429 [2,0,0,0,0,0|2,0,0]=4 578 B7R0.16 C[C@@H](O)[C@@H](Cl)C(=O)O Amb27489415 [2,0,0,0,0,0|2,0,0]=4 579 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Amb8514159 [2,0,0,0,0,0|2,0,0]=4 580 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O Amb27812084 [2,0,0,0,0,0|1,1,0]=4 581 B7R0.16 C[C@@H](O)[C@H](Cl)C(=O)O Amb27188843 [2,0,0,0,0,0|2,0,0]=4 582 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb22351168 [2,0,0,0,0,0|2,0,0]=4 583 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb33623705 [2,0,0,0,0,0|2,0,0]=4 584 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Amb6599999 [2,0,0,0,0,0|2,0,0]=4 585 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O Amb24117242 [2,0,0,0,0,0|1,0,1]=4 586 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O Amb10844572 [2,0,0,0,0,0|2,0,0]=4 587 B7R0.16 C[C@H](O)[C@@H](Br)C(=O)O Amb27476235 [2,0,0,0,0,0|2,0,0]=4 588 B7R0.16 C[C@H](O)[C@@H](F)C(=O)O Amb27837922 [2,0,0,0,0,0|2,0,0]=4 589 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Amb6297293 [2,0,0,0,0,0|2,0,0]=4 590 B7R0.16 C[C@H](O)[C@@H](O)C(=O)O Amb25844932 [2,0,0,0,0,0|1,1,0]=4 591 B7R0.16 C[C@H](O)[C@H](Br)C(=O)O Amb27409077 [2,0,0,0,0,0|2,0,0]=4 592 B7R0.16 C[C@H](O)[C@H](C)C(=O)O Amb27440373 [2,0,0,0,0,0|2,0,0]=4 593 B7R0.16 C[C@H](O)[C@H](Cl)C(=O)O Amb27410667 [2,0,0,0,0,0|2,0,0]=4 594 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb32663639 [2,0,0,0,0,0|2,0,0]=4 595 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Amb8514158 [2,0,0,0,0,0|2,0,0]=4 596 B7R0.16 C[C@H](O)[C@H](O)C(=O)O Amb27831803 [2,0,0,0,0,0|1,1,0]=4 597 B7R0.16 N[C@H](C(=O)O)C(O)O Amb27867398 [2,0,0,0,0,0|1,1,0]=4 598 B7R0.16 O=C(O)C(S)C(=O)O Amb28346986 [2,0,0,0,0,0|0,1,1]=4 599 B7R0.6 C=C(Br)CCC(=O)O Amb18648212 [2,0,0,0,0,0|2,0,0]=4 600 B7R0.6 C=C(C)CCC(=O)O Amb18641793 [2,0,0,0,0,0|2,0,0]=4 601 B7R0.6 C=C(Cl)CCC(=O)O Amb18642971 [2,0,0,0,0,0|2,0,0]=4 602 B7R0.6 C=C(N)CCC(=O)O Amb27629351 [2,0,0,0,0,0|2,0,0]=4 603 B7R0.6 CC(=O)CCC(=O)O Amb534169 [2,0,0,0,0,0|1,0,0]=3 604 B7R0.6 CC(=O)CCC(C)=O Amb2793010 [2,0,0,0,0,0|2,0,0]=4 605 B7R0.6 CC(=O)CCC(N)=O Amb17142854 [2,0,0,0,0,0|2,0,0]=4 606 B7R0.6 CC(=O)CCC(O)=S Amb27267983 [2,0,0,0,0,0|1,1,0]=4 607 B7R0.6 CC(=O)NCC(=O)O Amb1215271 [2,0,0,0,0,0|2,0,0]=4 608 B7R0.6 CC(=O)OCC(=O)O Amb1151259 [2,0,0,0,0,0|2,0,0]=4 609 B7R0.6 CC(O)CCC(=O)O Amb18294804 [2,0,0,0,0,0|1,0,1]=4 610 B7R0.6 CS(=O)CCC(=O)O Amb18523762 [2,0,0,0,0,0|2,0,0]=4 611 B7R0.6 C[C@H](O)CCC(=O)O Amb27656596 [2,0,0,0,0,0|1,0,1]=4 612 B7R0.6 NC(=O)CCC(=O)Cl Amb28240580 [2,0,0,0,0,0|2,0,0]=4 613 B7R0.6 NC(=O)CCC(=O)O Amb2967294 [2,0,0,0,0,0|1,0,0]=3 614 B7R0.6 NC(=O)CCC(N)=O Amb1353209 [2,0,0,0,0,0|2,0,0]=4 615 B7R0.6 NC(=O)NCC(=O)O Amb6366364 [2,0,0,0,0,0|2,0,0]=4 616 B7R0.6 NC(=S)CCC(=O)O Amb18102382 [2,0,0,0,0,0|1,1,0]=4 617 B7R0.6 O=C(Cl)CCC(=O)Cl Amb3940240 [2,0,0,0,0,0|2,0,0]=4 618 B7R0.6 O=C(O)C#CC(=O)O Amb6297768 [2,0,0,0,0,0|0,0,2]=4 619 B7R0.6 O=C(O)CCB(O)O Amb24640288 [2,0,0,0,0,0|1,0,1]=4 620 B7R0.6 O=C(O)CCC(=O)O Amb22168124 [2,0,0,0,0,0|0,0,0]=2 621 B7R0.6 O=C(O)CCC(=O)O Amb2792874 [2,0,0,0,0,0|0,0,0]=2 622 B7R0.6 O=C(O)CCP(O)O Amb27424479 [2,0,0,0,0,0|1,0,1]=4 623 B7R0.6 O=C(O)CCS(=O)O Amb27144832 [2,0,0,0,0,0|1,0,0]=3 624 B7R0.6 O=C(O)CC[N+](=O)[O-] Amb10843224 [2,0,0,0,0,0|1,0,1]=4 625 B7R0.6 O=C(O)CC[SH](=O)=O Amb27410689 [2,0,0,0,0,0|1,0,1]=4 626 B7R0.6 O=C(O)CNC(=O)S Amb27424662 [2,0,0,0,0,0|1,1,0]=4 627 B7R0.6 O=C(O)COC(=O)Cl Amb27199161 [2,0,0,0,0,0|2,0,0]=4 628 B7R0.6 O=C(O)\C=C/C(=O)O Amb2792876 [2,0,0,0,0,0|0,0,2]=4 629 B7R0.6 O=C(O)\C=C\C(=O)O Amb6608657 [2,0,0,0,0,0|0,0,2]=4 630 B7R0.6 O=C(O)\C=C\C(=O)O Amb8513055 [2,0,0,0,0,0|0,0,2]=4 631 B7R0.6 O=C([O-])CCC(=O)[O-] Amb33512742 [2,0,0,0,0,0|0,0,2]=4 632 B7R0.6 O=C([O-])CCC(=O)[O-] Amb8514379 [2,0,0,0,0,0|0,0,2]=4 633 B7R0.6 [BH3-]C(=O)NCC(=O)O Amb27478291 [2,0,0,0,0,0|2,0,0]=4 634 B9R0.6 CC(CC=O)C(C)C(=O)O Amb18644133 [1,1,0,0,0,0|2,0,0]=4 635 B9R0.6 CC(OC=O)C(N)C(=O)O Amb27456598 [1,1,0,0,0,0|2,0,0]=4 636 B9R0.6 C[C@@H](OC=O)[C@H](N)C(=O)O Amb27972267 [1,1,0,0,0,0|2,0,0]=4 637 B9R0.6 C[C@H](C(=O)O)[C@@H](C)OC=O Amb27391147 [1,1,0,0,0,0|2,0,0]=4 638 B9R0.6 C[C@H](OC=O)[C@H](C)C(=O)O Amb27620887 [1,1,0,0,0,0|2,0,0]=4 639 B9R0.27 COC(=O)C(O)C(C)C=O Amb28126610 [1,1,0,0,0,0|1,1,0]=4 640 B9R0.27 O=C[C@H](O)[C@H](O)C(=O)CO Amb27837984 [1,1,0,0,0,0|0,2,0]=4 641 B9R0.10 CC(CC(=O)O)S(=O)(=O)O Amb27634850 [1,1,0,0,0,0|2,0,0]=4 642 B9R0.10 CP(=O)(O)C(N)CC(=O)O Amb27831332 [1,1,0,0,0,0|2,0,0]=4 643 B9R0.10 C[C@H](CC(=O)O)P(=O)(O)O Amb27645396 [1,1,0,0,0,0|2,0,0]=4 644 B9R0.11 CC(=O)C(C)(C)CC(=O)O Amb594714 [1,1,0,0,0,0|2,0,0]=4 645 B9R0.11 CC(=O)CC(C)(C)C(=O)O Amb18644092 [1,1,0,0,0,0|2,0,0]=4 646 B9R0.11 CC(=O)CC(C)(S)C(=O)O Amb27984551 [1,1,0,0,0,0|1,0,0]=3 647 B9R0.11 CC(=O)C[C@](C)(O)C(=O)O Amb27170683 [1,1,0,0,0,0|1,1,0]=4 648 B9R0.11 CC(C)(CC(=O)O)C(=O)Cl Amb27449457 [1,1,0,0,0,0|2,0,0]=4 649 B9R0.11 CC(C)(CC(=O)O)C(=O)O Amb9787793 [1,1,0,0,0,0|1,0,0]=3 650 B9R0.11 CC(Cl)(CC(=O)O)C(=O)O Amb18126463 [1,1,0,0,0,0|1,0,0]=3 651 B9R0.11 CC(Cl)(CS(=O)O)C(=O)O Amb27781534 [1,1,0,0,0,0|2,0,0]=4 652 B9R0.11 CC(N)(CC(=O)O)C(=O)O Amb10807406 [1,1,0,0,0,0|1,0,0]=3 653 B9R0.11 CC(N)(CC(=O)O)[PH](=O)O Amb25701546 [1,1,0,0,0,0|2,0,0]=4 654 B9R0.11 CC(N)(CC(N)=O)C(=O)O Amb28131361 [1,1,0,0,0,0|2,0,0]=4 655 B9R0.11 CC(O)(CC(=O)O)C(=O)O Amb6366309 [1,1,0,0,0,0|0,1,0]=3 656 B9R0.11 C[C@@](N)(CC(N)=O)C(=O)O Amb22225025 [1,1,0,0,0,0|2,0,0]=4 657 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O Amb10601663 [1,1,0,0,0,0|1,0,0]=3 658 B9R0.11 C[C@](N)(CC(N)=O)C(=O)O Amb27195940 [1,1,0,0,0,0|2,0,0]=4 659 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O Amb26398856 [1,1,0,0,0,0|0,1,0]=3 660 B9R0.11 NC(=O)CC(N)(O)C(=O)O Amb27794741 [1,1,0,0,0,0|1,1,0]=4 661 B9R0.11 NC(=O)C[C@@](N)(O)C(=O)O Amb28348701 [1,1,0,0,0,0|1,1,0]=4 662 B9R0.11 O=C(O)CC(Cl)(Cl)C(=O)O Amb27971430 [1,1,0,0,0,0|1,0,0]=3 663 B9R0.11 O=C(O)CC(F)(F)C(=O)O Amb2732193 [1,1,0,0,0,0|1,0,0]=3 664 B9R0.23 C=C(CC(=O)O)C(=O)OC Amb4034427 [1,1,0,0,0,0|1,0,1]=4 665 B9R0.23 CN(CC(=O)O)C(=O)CO Amb25848387 [1,1,0,0,0,0|2,0,0]=4 666 B9R0.23 CNC(=O)C(N)CC(=O)O Amb18862479 [1,1,0,0,0,0|2,0,0]=4 667 B9R0.23 COC(=O)C(Br)CC(=O)O Amb18656999 [1,1,0,0,0,0|1,0,0]=3 668 B9R0.23 COC(=O)C(C)CC(=O)O Amb18644248 [1,1,0,0,0,0|1,0,0]=3 669 B9R0.23 COC(=O)C(C)CC(C)=O Amb27465860 [1,1,0,0,0,0|2,0,0]=4 670 B9R0.23 COC(=O)C(C)C[PH](=O)O Amb27826336 [1,1,0,0,0,0|2,0,0]=4 671 B9R0.23 COC(=O)C(Cl)CC(=O)O Amb27589899 [1,1,0,0,0,0|1,0,0]=3 672 B9R0.23 COC(=O)C(F)CC(=O)O Amb27837974 [1,1,0,0,0,0|1,0,0]=3 673 B9R0.23 COC(=O)C(N)CC(=O)O Amb18644309 [1,1,0,0,0,0|1,0,0]=3 674 B9R0.23 COC(=O)C(N)CC(C)=O Amb25367296 [1,1,0,0,0,0|2,0,0]=4 675 B9R0.23 COC(=O)C(N)CC(N)=O Amb16243083 [1,1,0,0,0,0|2,0,0]=4 676 B9R0.23 COC(=O)C(N)CC(N)=O Amb17601698 [1,1,0,0,0,0|2,0,0]=4 677 B9R0.23 COC(=O)C(O)CC(=O)O Amb17615865 [1,1,0,0,0,0|0,1,0]=3 678 B9R0.23 COC(=O)C(O)CC(N)=O Amb27655536 [1,1,0,0,0,0|1,1,0]=4 679 B9R0.23 COC(=O)N(C)CC(=O)O Amb6668732 [1,1,0,0,0,0|2,0,0]=4 680 B9R0.23 COC(=O)[C@@H](Br)CC(N)=O Amb27789593 [1,1,0,0,0,0|2,0,0]=4 681 B9R0.23 COC(=O)[C@@H](F)CC(=O)O Amb27406311 [1,1,0,0,0,0|1,0,0]=3 682 B9R0.23 COC(=O)[C@@H](N)CC(=O)O Amb22746069 [1,1,0,0,0,0|1,0,0]=3 683 B9R0.23 COC(=O)[C@@H](N)CC(=O)O Amb8390387 [1,1,0,0,0,0|1,0,0]=3 684 B9R0.23 COC(=O)[C@@H](N)CC(=O)[O-] Amb22231950 [1,1,0,0,0,0|1,0,1]=4 685 B9R0.23 COC(=O)[C@@H](N)CC(N)=O Amb8390381 [1,1,0,0,0,0|2,0,0]=4 686 B9R0.23 COC(=O)[C@@H](O)CC(=O)O Amb17615867 [1,1,0,0,0,0|0,1,0]=3 687 B9R0.23 COC(=O)[C@H](C)CC(=O)Cl Amb28050543 [1,1,0,0,0,0|2,0,0]=4 688 B9R0.23 COC(=O)[C@H](C)CC(=O)O Amb24561954 [1,1,0,0,0,0|1,0,0]=3 689 B9R0.23 COC(=O)[C@H](Cl)CC(=O)O Amb27232518 [1,1,0,0,0,0|1,0,0]=3 690 B9R0.23 COC(=O)[C@H](N)CC(=O)O Amb19944281 [1,1,0,0,0,0|1,0,0]=3 691 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb19883963 [1,1,0,0,0,0|2,0,0]=4 692 B9R0.23 COC(=O)[C@H](N)CC(N)=O Amb27597987 [1,1,0,0,0,0|2,0,0]=4 693 B9R0.23 COC(=O)[C@H](O)CC(=O)O Amb17615866 [1,1,0,0,0,0|0,1,0]=3 694 B9R0.23 COC(=O)[C@H](O)CC(N)=O Amb27623997 [1,1,0,0,0,0|1,1,0]=4 695 B9R0.23 C\C(=N/O)C(O)CC(=O)O Amb27223478 [1,1,0,0,0,0|1,1,0]=4 696 B9R0.23 NNC(=O)C(N)CC(=O)O Amb26438038 [1,1,0,0,0,0|2,0,0]=4 697 B9R0.23 NNC(=O)C(N)CC(=O)O Amb35750707 [1,1,0,0,0,0|2,0,0]=4 698 B9R0.23 N[C@H](CC(=O)O)C(=O)NO Amb27413035 [1,1,0,0,0,0|1,0,0]=3 699 B9R0.23 O=C(O)CC(Br)C(=O)CBr Amb15772353 [1,1,0,0,0,0|2,0,0]=4 700 B9R0.23 O=C(O)CC(S)C(=O)CS Amb27758589 [1,1,0,0,0,0|0,1,0]=3 701 B9R0.39 CC(=O)CC(C=O)C(=O)O Amb28048038 [1,1,0,0,0,0|1,1,0]=4 702 B9R0.39 CC(=O)NC(CS)C(=O)O Amb1112748 [1,1,0,0,0,0|2,0,0]=4 703 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Amb2684240 [1,1,0,0,0,0|2,0,0]=4 704 B9R0.39 CC(=O)N[C@H](CS)C(=O)O Amb25887589 [1,1,0,0,0,0|2,0,0]=4 705 B9R0.39 CCC(CC(=O)O)C(=O)O Amb10071696 [1,1,0,0,0,0|1,0,0]=3 706 B9R0.39 CCC(CC(C)=O)C(=O)O Amb18644109 [1,1,0,0,0,0|2,0,0]=4 707 B9R0.39 CC[C@@H](CC(=O)O)C(=O)O Amb27830576 [1,1,0,0,0,0|1,0,0]=3 708 B9R0.39 CC[C@H](CC(=O)O)C(=O)O Amb24643194 [1,1,0,0,0,0|1,0,0]=3 709 B9R0.39 CNC(CC(=O)O)C(=O)O Amb1905634 [1,1,0,0,0,0|1,0,0]=3 710 B9R0.39 CNC(CC(=O)O)C(=O)O Amb30867747 [1,1,0,0,0,0|1,0,0]=3 711 B9R0.39 CNC(CC(=O)O)C(C)=O Amb18611382 [1,1,0,0,0,0|2,0,0]=4 712 B9R0.39 CNC(CC(N)=O)C(=O)O Amb18644255 [1,1,0,0,0,0|2,0,0]=4 713 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O Amb3499450 [1,1,0,0,0,0|1,0,0]=3 714 B9R0.39 CN[C@H](CC(=O)O)C(=O)O Amb8515692 [1,1,0,0,0,0|1,0,0]=3 715 B9R0.39 CN[C@H](CC(N)=O)C(=O)O Amb28049962 [1,1,0,0,0,0|2,0,0]=4 716 B9R0.39 COC(CC(=O)O)C(C)=O Amb27952022 [1,1,0,0,0,0|1,1,0]=4 717 B9R0.39 COC(CC(=O)O)C(N)=O Amb23536075 [1,1,0,0,0,0|1,1,0]=4 718 B9R0.39 CO[C@H](CC(=O)O)C(=O)O Amb27849552 [1,1,0,0,0,0|0,1,0]=3 719 B9R0.39 CSC(CC(=O)O)C(=O)O Amb18646024 [1,1,0,0,0,0|0,0,0]=2 720 B9R0.39 C\C=C(/CC(=O)O)C(=O)O Amb8631758 [1,1,0,0,0,0|1,0,1]=4 721 B9R0.39 C\C=C(\CC(=O)O)C(=O)O Amb25292254 [1,1,0,0,0,0|1,0,1]=4 722 B9R0.39 N=CC(CC(=O)O)C(=O)O Amb27653604 [1,1,0,0,0,0|1,0,0]=3 723 B9R0.39 NC(=O)CC(CO)C(=O)O Amb28411495 [1,1,0,0,0,0|1,1,0]=4 724 B9R0.39 NC(=O)CC(NO)C(=O)O Amb27168203 [1,1,0,0,0,0|1,1,0]=4 725 B9R0.39 NC(=O)C[C@H](NO)C(=O)O Amb28364297 [1,1,0,0,0,0|1,1,0]=4 726 B9R0.39 NC(=O)NC(CS)C(=O)O Amb1119403 [1,1,0,0,0,0|2,0,0]=4 727 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O Amb17610484 [1,1,0,0,0,0|2,0,0]=4 728 B9R0.39 NCC(CC(=O)O)C(=O)O Amb22546423 [1,1,0,0,0,0|1,0,0]=3 729 B9R0.39 NCC(CC(=O)O)C(=O)O Amb24538047 [1,1,0,0,0,0|1,0,0]=3 730 B9R0.39 NNC(CC(=O)O)C(=O)O Amb28070991 [1,1,0,0,0,0|1,0,0]=3 731 B9R0.39 NN[C@@H](CC(=O)O)C(=O)O Amb24117193 [1,1,0,0,0,0|1,0,0]=3 732 B9R0.39 N\C=C(\CC(=O)O)C(=O)O Amb28050321 [1,1,0,0,0,0|1,0,1]=4 733 B9R0.39 O=C(O)CC(CBr)C(=O)O Amb22752144 [1,1,0,0,0,0|1,0,0]=3 734 B9R0.39 O=C(O)CC(CF)C(=O)O Amb33379249 [1,1,0,0,0,0|1,0,0]=3 735 B9R0.39 O=C(O)CC(NCl)C(=O)O Amb27953217 [1,1,0,0,0,0|1,0,0]=3 736 B9R0.39 O=C(O)CC(NO)C(=O)O Amb24685872 [1,1,0,0,0,0|0,1,0]=3 737 B9R0.39 O=C(O)CC(NS)C(=O)O Amb25808901 [1,1,0,0,0,0|0,0,0]=2 738 B9R0.39 O=C(O)C[C@H](NCl)C(=O)O Amb27401859 [1,1,0,0,0,0|1,0,0]=3 739 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24117497 [1,1,0,0,0,0|0,1,0]=3 740 B9R0.39 O=C(O)C[C@H](NO)C(=O)O Amb24630025 [1,1,0,0,0,0|0,1,0]=3 741 B9R0.39 O=C(O)C\C(=N/O)C(=O)O Amb24117074 [1,1,0,0,0,0|0,1,1]=4 742 B9R0.39 O=C(O)C\C(=N\O)C(=O)O Amb27828721 [1,1,0,0,0,0|0,1,1]=4 743 B9R0.42 C=C(CC(=O)OC)C(=O)O Amb4035034 [1,1,0,0,0,0|1,0,1]=4 744 B9R0.42 CC(CC(=O)CCl)C(=O)O Amb24585160 [1,1,0,0,0,0|2,0,0]=4 745 B9R0.42 CCC(=O)CC(N)C(=O)O Amb22546324 [1,1,0,0,0,0|2,0,0]=4 746 B9R0.42 CCC(=O)CC(N)C(=O)O Amb24479073 [1,1,0,0,0,0|2,0,0]=4 747 B9R0.42 CCC(=O)CC(O)C(=O)O Amb27655574 [1,1,0,0,0,0|1,1,0]=4 748 B9R0.42 CCC(=O)C[C@@H](N)C(=O)O Amb26061186 [1,1,0,0,0,0|2,0,0]=4 749 B9R0.42 CCC(=O)C[C@H](N)C(=O)O Amb24479266 [1,1,0,0,0,0|2,0,0]=4 750 B9R0.42 CNC(=O)CC(N)C(=O)O Amb27839034 [1,1,0,0,0,0|2,0,0]=4 751 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O Amb20240891 [1,1,0,0,0,0|2,0,0]=4 752 B9R0.42 COC(=O)CC(=O)C(=O)O Amb22728219 [1,1,0,0,0,0|0,1,1]=4 753 B9R0.42 COC(=O)CC(Br)C(=O)O Amb18656998 [1,1,0,0,0,0|1,0,0]=3 754 B9R0.42 COC(=O)CC(Br)C(C)=O Amb17403794 [1,1,0,0,0,0|2,0,0]=4 755 B9R0.42 COC(=O)CC(Br)C(N)=O Amb27969234 [1,1,0,0,0,0|2,0,0]=4 756 B9R0.42 COC(=O)CC(C)C(=O)Cl Amb27972299 [1,1,0,0,0,0|2,0,0]=4 757 B9R0.42 COC(=O)CC(C)C(=O)O Amb18644239 [1,1,0,0,0,0|1,0,0]=3 758 B9R0.42 COC(=O)CC(C)C(=O)[O-] Amb34915052 [1,1,0,0,0,0|1,0,1]=4 759 B9R0.42 COC(=O)CC(Cl)C(=O)O Amb32941126 [1,1,0,0,0,0|1,0,0]=3 760 B9R0.42 COC(=O)CC(Cl)C(C)=O Amb25061154 [1,1,0,0,0,0|2,0,0]=4 761 B9R0.42 COC(=O)CC(N)C(=O)O Amb22489498 [1,1,0,0,0,0|1,0,0]=3 762 B9R0.42 COC(=O)CC(N)C(=O)O Amb7172558 [1,1,0,0,0,0|1,0,0]=3 763 B9R0.42 COC(=O)CC(N)C(=O)O Amb8390391 [1,1,0,0,0,0|1,0,0]=3 764 B9R0.42 COC(=O)CC(O)C(=O)O Amb25786182 [1,1,0,0,0,0|0,1,0]=3 765 B9R0.42 COC(=O)CC(O)C(N)=O Amb27830345 [1,1,0,0,0,0|1,1,0]=4 766 B9R0.42 COC(=O)C[C@@H](C)C(=O)O Amb3939892 [1,1,0,0,0,0|1,0,0]=3 767 B9R0.42 COC(=O)C[C@@H](C)C(C)=O Amb26846867 [1,1,0,0,0,0|2,0,0]=4 768 B9R0.42 COC(=O)C[C@@H](C)C(N)=O Amb27169355 [1,1,0,0,0,0|2,0,0]=4 769 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb22745861 [1,1,0,0,0,0|1,0,0]=3 770 B9R0.42 COC(=O)C[C@@H](N)C(=O)O Amb8385327 [1,1,0,0,0,0|1,0,0]=3 771 B9R0.42 COC(=O)C[C@@H](O)C(=O)O Amb23603858 [1,1,0,0,0,0|0,1,0]=3 772 B9R0.42 COC(=O)C[C@H](Br)C(=O)O Amb26619839 [1,1,0,0,0,0|1,0,0]=3 773 B9R0.42 COC(=O)C[C@H](C)C(=O)O Amb26967622 [1,1,0,0,0,0|1,0,0]=3 774 B9R0.42 COC(=O)C[C@H](C)C(C)=O Amb26873807 [1,1,0,0,0,0|2,0,0]=4 775 B9R0.42 COC(=O)C[C@H](N)C(=O)O Amb8629121 [1,1,0,0,0,0|1,0,0]=3 776 B9R0.42 COC(=O)C[C@H](O)C(=O)O Amb25367304 [1,1,0,0,0,0|0,1,0]=3 777 B9R0.42 COC(=O)C[C@H](O)C(N)=O Amb28120921 [1,1,0,0,0,0|1,1,0]=4 778 B9R0.42 COC(=O)NC(C)C(=O)O Amb6668789 [1,1,0,0,0,0|2,0,0]=4 779 B9R0.42 COC(=O)N[C@@H](C)C(=O)O Amb24477985 [1,1,0,0,0,0|2,0,0]=4 780 B9R0.42 COC(=O)N[C@H](C)C(=O)O Amb24381066 [1,1,0,0,0,0|2,0,0]=4 781 B9R0.42 NC(CC(=O)CI)C(=O)O Amb27803464 [1,1,0,0,0,0|2,0,0]=4 782 B9R0.42 NC(CC(=O)CO)C(=O)O Amb18644310 [1,1,0,0,0,0|1,0,0]=3 783 B9R0.42 NC(CC(=O)NO)C(=O)O Amb22349932 [1,1,0,0,0,0|1,0,0]=3 784 B9R0.42 NC(CC(O)C=O)C(=O)O Amb28126784 [1,1,0,0,0,0|1,0,1]=4 785 B9R0.42 NNC(=O)C[C@H](N)C(=O)O Amb24680907 [1,1,0,0,0,0|2,0,0]=4 786 B9R0.42 N[C@@H](CC(=O)CCl)C(=O)O Amb27168692 [1,1,0,0,0,0|2,0,0]=4 787 B9R0.42 N[C@@H](CC(=O)CI)C(=O)O Amb27248631 [1,1,0,0,0,0|2,0,0]=4 788 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O Amb28050099 [1,1,0,0,0,0|1,0,0]=3 789 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O Amb28320876 [1,1,0,0,0,0|1,0,0]=3 790 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O Amb17607759 [1,1,0,0,0,0|2,0,0]=4 791 B9R0.42 N[C@H](CN(O)N=O)C(=O)O Amb27976802 [1,1,0,0,0,0|2,0,0]=4 792 B9R0.42 O=C(CBr)C[C@H](O)C(=O)O Amb27876238 [1,1,0,0,0,0|1,1,0]=4 793 B9R0.57 CC(CP(=O)(O)O)C(=O)O Amb27878703 [1,1,0,0,0,0|2,0,0]=4 794 B9R0.57 CP(=O)(O)CC(N)C(=O)O Amb27770381 [1,1,0,0,0,0|2,0,0]=4 795 B9R0.57 NC(CP(=O)(O)O)C(=O)O Amb542762 [1,1,0,0,0,0|2,0,0]=4 796 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Amb2698240 [1,1,0,0,0,0|2,0,0]=4 797 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O Amb2719731 [1,1,0,0,0,0|2,0,0]=4 798 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb17942867 [1,1,0,0,0,0|2,0,0]=4 799 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O Amb3940873 [1,1,0,0,0,0|2,0,0]=4 800 B9R0.57 N[C@H](CP(=O)(O)O)C(=O)O Amb8515685 [1,1,0,0,0,0|2,0,0]=4 801 B9R0.57 O=C(O)C(O)CP(=O)(O)O Amb27166079 [1,1,0,0,0,0|1,1,0]=4 802 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Amb20247567 [1,1,0,0,0,0|1,1,0]=4 803 B11R0.52 CC(C)(C(=O)O)C(O)CC(=O)O Amb33548094 [0,1,0,0,0,1|1,1,0]=4 804 B11R0.206 O=C(O)C(O)C(O)C(O)C(=O)O Amb533010 [0,1,0,0,0,1|0,2,0]=4 805 B11R0.117 COC(=O)C(C)CC(C)C(=O)O Amb18647808 [0,1,0,0,0,1|2,0,0]=4 806 B11R0.169 CC(SC(C)(C)C(=O)O)C(=O)O Amb17501629 [0,1,0,0,0,1|2,0,0]=4 807 B11R0.169 NC(CC(F)(F)C(=O)O)C(=O)O Amb16185493 [0,1,0,0,0,1|2,0,0]=4 808 B11R0.169 N[C@@H](CC(F)(F)C(=O)O)C(=O)O Amb19375300 [0,1,0,0,0,1|2,0,0]=4 809 B11R0.275 CCC(CC(N)C(=O)O)C(=O)O Amb4006858 [0,1,0,0,0,1|2,0,0]=4 810 B11R0.275 CCC(SC(C)C(=O)O)C(=O)O Amb17501326 [0,1,0,0,0,1|2,0,0]=4 811 B11R0.66 COC(=O)C(Br)C(Br)C(=O)OC Amb2721198 [0,2,0,0,0,0|2,0,0]=4 812 B11R0.66 COC(=O)C(O)C(O)C(=O)OC Amb1781465 [0,2,0,0,0,0|0,2,0]=4 813 B11R0.66 COC(=O)[C@@H](O)[C@@H](O)C(=O)OC Amb22747698 [0,2,0,0,0,0|0,2,0]=4 814 B11R0.66 COC(=O)[C@@H](O)[C@H](O)C(=O)OC Amb8627724 [0,2,0,0,0,0|0,2,0]=4 815 B11R0.66 COC(=O)[C@H](F)[C@H](Br)C(=O)OC Amb22735469 [0,2,0,0,0,0|2,0,0]=4 816 B11R0.66 COC(=O)[C@H](O)[C@@H](O)C(=O)OC Amb533028 [0,2,0,0,0,0|0,2,0]=4 817 B11R0.66 N[C@@H](C(=O)NO)[C@H](Cl)C(=O)NO Amb28458357 [0,2,0,0,0,0|2,0,0]=4 818 B11R0.66 O=C(NO)C(O)C(O)C(=O)NO Amb27853473 [0,2,0,0,0,0|0,2,0]=4 819 B11R0.44 CCCC(C(=O)O)C(O)C(=O)O Amb33041388 [0,2,0,0,0,0|1,1,0]=4 820 B11R0.317 CC(C)C(C(=O)O)C(O)C(=O)O Amb18647942 [0,2,0,0,0,0|1,1,0]=4 821 B11R0.317 CC(C)[C@H](C(=O)O)[C@H](O)C(=O)O Amb24117453 [0,2,0,0,0,0|1,1,0]=4 822 B11R0.198 CC(=O)C(N)(N)C(S)(S)C(=O)O Amb27224782 [0,2,0,0,0,0|2,0,0]=4 823 B11R0.198 CC(C)(C(=O)O)C(C)(C)C(=O)O Amb3428487 [0,2,0,0,0,0|2,0,0]=4 824 B11R0.198 CC(C)(C(=O)O)C(C)(O)C(=O)O Amb28365746 [0,2,0,0,0,0|1,1,0]=4 825 B11R0.198 CC(C)(C(=O)O)C(Cl)(Cl)C(=O)O Amb27389339 [0,2,0,0,0,0|2,0,0]=4 826 B11R0.198 C[C@](O)(C(=O)O)[C@@](C)(O)C(=O)O Amb27865658 [0,2,0,0,0,0|0,2,0]=4 827 B11R0.198 O=C(O)C(F)(F)C(F)(Cl)C(=O)O Amb22411294 [0,2,0,0,0,0|2,0,0]=4 828 B11R0.198 O=C(O)C(F)(F)C(F)(F)C(=O)O Amb2690543 [0,2,0,0,0,0|2,0,0]=4 829 B11R0.198 O=C(O)C(O)(Cl)C(O)(Cl)C(=O)O Amb28241404 [0,2,0,0,0,0|0,2,0]=4 830 B11R0.198 O=C(O)C(O)(O)C(F)(F)C(=O)O Amb27955180 [0,2,0,0,0,0|1,1,0]=4 831 B11R0.198 O=C(O)C(O)(O)C(O)(O)C(=O)O Amb22168362 [0,2,0,0,0,0|0,2,0]=4 832 B9R1.37 CC1C(=O)OC(=O)C1C Amb27266073 [1,0,0,1,0,0|2,0,0]=4 833 B9R1.37 CC1C(=O)OC(=O)[C@H]1N Amb27664717 [1,0,0,1,0,0|2,0,0]=4 834 B9R1.37 O=C1OC(=O)C(F)C1F Amb27180807 [1,0,0,1,0,0|2,0,0]=4 835 B9R1.37 O=C1OC(=O)[C@@H](Cl)[C@@H]1Cl Amb27261509 [1,0,0,1,0,0|2,0,0]=4 836 B9R1.55 NC1C(=O)NC1C(=O)O Amb25871338 [1,0,0,1,0,0|2,0,0]=4 837 B9R1.35 CC(=O)[C@H]1COC(=O)C1 Amb18832647 [1,0,0,1,0,0|2,0,0]=4 838 B9R1.35 O=C1C=CC(C(=O)O)C1 Amb26002884 [1,0,0,1,0,0|2,0,0]=4 839 B9R1.35 O=C1CC(C(=O)O)=CO1 Amb3499387 [1,0,0,1,0,0|1,0,1]=4 840 B9R1.35 O=C1CC(C(=O)O)CN1 Amb33545000 [1,0,0,1,0,0|2,0,0]=4 841 B9R1.35 O=C1CC(C(=O)O)CO1 Amb22642307 [1,0,0,1,0,0|1,0,0]=3 842 B9R1.35 O=C1CC(C(=O)O)CS1 Amb10073724 [1,0,0,1,0,0|1,1,0]=4 843 B9R1.35 O=C1CC(C(=O)O)NN1 Amb18642739 [1,0,0,1,0,0|2,0,0]=4 844 B9R1.35 O=C1CCC(C(=O)O)C1 Amb2695400 [1,0,0,1,0,0|2,0,0]=4 845 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 Amb27254141 [1,0,0,1,0,0|2,0,0]=4 846 B9R1.35 O=C1CC[C@H](C(=O)O)C1 Amb22746923 [1,0,0,1,0,0|2,0,0]=4 847 B9R1.35 O=C1CNC(C(=O)O)C1 Amb30625211 [1,0,0,1,0,0|2,0,0]=4 848 B9R1.35 O=C1CNC(C(=O)O)C1 Amb8386094 [1,0,0,1,0,0|2,0,0]=4 849 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb22747440 [1,0,0,1,0,0|2,0,0]=4 850 B9R1.35 O=C1CN[C@H](C(=O)O)C1 Amb8628977 [1,0,0,1,0,0|2,0,0]=4 851 B9R1.35 O=C1COC(C(=O)O)C1 Amb32651713 [1,0,0,1,0,0|1,1,0]=4 852 B9R1.35 O=C1CSC(C(=O)O)C1 Amb24061425 [1,0,0,1,0,0|1,0,0]=3 853 B9R1.35 O=C1CSC(C(=O)O)O1 Amb25063335 [1,0,0,1,0,0|2,0,0]=4 854 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 Amb23439643 [1,0,0,1,0,0|2,0,0]=4 855 B9R1.35 O=C1C[C@@H](C(=O)O)CO1 Amb27253217 [1,0,0,1,0,0|1,0,0]=3 856 B9R1.35 O=C1C[C@H](C(=O)O)CN1 Amb25946886 [1,0,0,1,0,0|2,0,0]=4 857 B9R1.35 O=C1NC(C(=O)O)CO1 Amb15701690 [1,0,0,1,0,0|2,0,0]=4 858 B9R1.35 O=C1N[C@@H](C(=O)O)CO1 Amb24340149 [1,0,0,1,0,0|2,0,0]=4 859 B9R1.35 O=C1N[C@H](C(=O)O)CO1 Amb19517080 [1,0,0,1,0,0|2,0,0]=4 860 B9R1.35 O=C1OCC(C(=O)O)O1 Amb25767974 [1,0,0,1,0,0|2,0,0]=4 861 B9R1.152 CC1(C(=O)O)CC(=O)C1 Amb22406208 [1,0,0,1,0,0|2,0,0]=4 862 B9R1.152 O=C1CC(F)(C(=O)O)C1 Amb34136578 [1,0,0,1,0,0|2,0,0]=4 863 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [1,0,0,1,0,0|2,0,0]=4 864 B9R1.161 NC(=O)C1OC1C(=O)O Amb25695985 [1,0,0,1,0,0|1,1,0]=4 865 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Amb24623178 [1,0,0,1,0,0|2,0,0]=4 866 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(=O)O Amb27447217 [1,0,0,1,0,0|2,0,0]=4 867 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O Amb27436130 [1,0,0,1,0,0|2,0,0]=4 868 B9R1.161 O=C(O)C1CC1C(=O)Cl Amb26959493 [1,0,0,1,0,0|2,0,0]=4 869 B9R1.161 O=C(O)C1CC1C(=O)O Amb1350467 [1,0,0,1,0,0|1,0,0]=3 870 B9R1.161 O=C(O)C1OC1C(=O)O Amb4001391 [1,0,0,1,0,0|0,1,0]=3 871 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Amb22901897 [1,0,0,1,0,0|1,0,0]=3 872 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O Amb22799776 [1,0,0,1,0,0|0,1,0]=3 873 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O Amb25979295 [1,0,0,1,0,0|1,0,0]=3 874 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Amb3442175 [1,0,0,1,0,0|1,0,0]=3 875 B9R1.161 O=C(O)[C@H]1O[C@@H]1C(=O)O Amb22262951 [1,0,0,1,0,0|0,1,0]=3 876 B9R1.164 O=C(O)C1CP(=O)(O)C1 Amb4297467 [1,0,0,1,0,0|2,0,0]=4 877 B11R1.314 O=C1OC[C@H]([C@@H](O)C(=O)O)O1 Amb27966811 [0,0,0,1,0,1|1,1,0]=4 878 B11R1.490 CC1CC(=O)OC1(C)C(=O)O Amb18644983 [0,0,0,1,0,1|2,0,0]=4 879 B11R1.672 O=C1OC(C(=O)O)C(O)C1O Amb27875078 [0,0,0,1,0,1|0,2,0]=4 880 B11R1.704 NC(C(=O)O)C1CC1C(=O)O Amb24447417 [0,0,0,1,0,1|2,0,0]=4 881 B11R1.704 NC(C(=O)O)[C@@H]1C[C@@H]1C(=O)O Amb27878614 [0,0,0,1,0,1|2,0,0]=4 882 B11R1.704 N[C@@H](C(=O)O)C1CC1C(=O)O Amb27772027 [0,0,0,1,0,1|2,0,0]=4 883 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]=4 884 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]=4 885 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]=4 886 B11R1.708 O=C(O)CC1CNC1C(=O)O Amb28384932 [0,0,0,1,0,1|2,0,0]=4 887 B11R1.708 O=C(O)C[C@@H]1CN[C@H]1C(=O)O Amb19131121 [0,0,0,1,0,1|2,0,0]=4 888 B11R1.708 O=C(O)C[C@H]1CN[C@H]1C(=O)O Amb27863455 [0,0,0,1,0,1|2,0,0]=4 889 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb26493344 [0,0,0,1,0,1|2,0,0]=4 890 B11R1.927 NC1(C(=O)O)CC1CC(=O)O Amb32665933 [0,0,0,1,0,1|2,0,0]=4 891 B11R1.927 N[C@@]1(C(=O)O)C[C@H]1CC(=O)O Amb25179270 [0,0,0,1,0,1|2,0,0]=4 892 B11R1.1293 CC1C(C(=O)O)C1(Cl)C(=O)O Amb27945670 [0,0,0,1,0,1|2,0,0]=4 893 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]=4 894 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]=4 895 B11R1.175 CC(=O)C1NC(C(=O)O)CS1 Amb27408644 [0,0,0,1,0,1|2,0,0]=4 896 B11R1.175 O=C(O)C1C=CC(C(=O)O)C1 Amb27192014 [0,0,0,1,0,1|2,0,0]=4 897 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 Amb2221143 [0,0,0,1,0,1|2,0,0]=4 898 B11R1.175 O=C(O)C1CCC(C(=O)O)O1 Amb18126226 [0,0,0,1,0,1|2,0,0]=4 899 B11R1.175 O=C(O)C1CCC(C(=O)O)[Se]1 Amb2793472 [0,0,0,1,0,1|2,0,0]=4 900 B11R1.175 O=C(O)C1CNC(C(=O)O)C1 Amb2695727 [0,0,0,1,0,1|2,0,0]=4 901 B11R1.175 O=C(O)C1COC(C(=O)O)C1 Amb23454154 [0,0,0,1,0,1|1,1,0]=4 902 B11R1.175 O=C(O)C1CSC(C(=O)O)C1 Amb18647960 [0,0,0,1,0,1|1,0,0]=3 903 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 Amb16203736 [0,0,0,1,0,1|1,0,0]=3 904 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]=4 905 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)C1 Amb27455546 [0,0,0,1,0,1|2,0,0]=4 906 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)N1 Amb25174831 [0,0,0,1,0,1|2,0,0]=4 907 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)O1 Amb27966839 [0,0,0,1,0,1|2,0,0]=4 908 B11R1.175 O=C(O)[C@@H]1CC[C@@H](C(=O)O)S1 Amb23560341 [0,0,0,1,0,1|2,0,0]=4 909 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)O1 Amb17620468 [0,0,0,1,0,1|2,0,0]=4 910 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)S1 Amb23560340 [0,0,0,1,0,1|2,0,0]=4 911 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C(=O)O)C1 Amb24559908 [0,0,0,1,0,1|2,0,0]=4 912 B11R1.175 O=C(O)[C@@H]1CN[C@H](C(=O)O)C1 Amb22262950 [0,0,0,1,0,1|2,0,0]=4 913 B11R1.175 O=C(O)[C@@H]1C[C@@H](C(=O)O)CN1 Amb19930523 [0,0,0,1,0,1|2,0,0]=4 914 B11R1.175 O=C(O)[C@@H]1C[C@@H](C(=O)O)SS1 Amb27817898 [0,0,0,1,0,1|0,0,0]=2 915 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]=4 916 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 Amb6299713 [0,0,0,1,0,1|2,0,0]=4 917 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)C1 Amb22744933 [0,0,0,1,0,1|2,0,0]=4 918 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)N1 Amb27195626 [0,0,0,1,0,1|2,0,0]=4 919 B11R1.175 O=C(O)[C@H]1CN[C@@H](C(=O)O)C1 Amb26528102 [0,0,0,1,0,1|2,0,0]=4 920 B11R1.175 O=C(O)[C@H]1C[C@H](C(=O)O)SS1 Amb27657788 [0,0,0,1,0,1|0,0,0]=2 921 B11R1.487 CC1CC(C)(C(=O)O)OC1=O Amb25949608 [0,0,0,1,0,1|2,0,0]=4 922 B11R1.487 CC1CC(O)(C(=O)O)OC1=O Amb27878675 [0,0,0,1,0,1|1,1,0]=4 923 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]=4 924 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]=4 925 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]=4 926 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]=4 927 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]=4 928 B11R1.1389 NC1(C(=O)O)CC(C(=O)O)C1 Amb23592289 [0,0,0,1,0,1|2,0,0]=4 929 B11R1.1389 NC1(C(=O)O)CC(C(=O)O)C1 Amb35745792 [0,0,0,1,0,1|2,0,0]=4 930 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]=4 931 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]=4 932 B11R1.1389 O=C(O)C1CC(O)(C(=O)O)C1 Amb33330532 [0,0,0,1,0,1|1,1,0]=4 933 B11R1.1389 O=C(O)[C@H]1C[C@](O)(C(=O)O)C1 Amb33210002 [0,0,0,1,0,1|1,1,0]=4 934 B11R1.499 O=C1O[BH2-]OC(=O)[C@@H](O)[C@@H]1O Amb28350340 [0,1,0,1,0,0|0,2,0]=4 935 B11R1.868 COC(=O)C1CC1(C)C(=O)O Amb27617493 [0,1,0,1,0,0|2,0,0]=4 936 B11R1.868 COC(=O)[C@@H]1C[C@]1(C)C(=O)O Amb32680275 [0,1,0,1,0,0|2,0,0]=4 937 B11R1.870 COC(=O)C1C=C[C@@H]1C(=O)O Amb27273537 [0,1,0,1,0,0|2,0,0]=4 938 B11R1.870 COC(=O)C1CCC1C(=O)O Amb25844392 [0,1,0,1,0,0|2,0,0]=4 939 B11R1.870 COC(=O)[C@@H]1C=C[C@@H]1C(=O)O Amb28437093 [0,1,0,1,0,0|2,0,0]=4 940 B11R1.870 COC(=O)[C@@H]1C=C[C@H]1C(=O)O Amb25911999 [0,1,0,1,0,0|2,0,0]=4 941 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)O Amb23439085 [0,1,0,1,0,0|2,0,0]=4 942 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O Amb26948041 [0,1,0,1,0,0|2,0,0]=4 943 B11R1.870 COC(=O)[C@H]1C=C[C@@H]1C(=O)O Amb27645479 [0,1,0,1,0,0|2,0,0]=4 944 B11R1.870 COC(=O)[C@H]1CC[C@@H]1C(=O)O Amb28247482 [0,1,0,1,0,0|2,0,0]=4 945 B11R1.870 COC(=O)[C@H]1CC[C@H]1C(=O)O Amb28138440 [0,1,0,1,0,0|2,0,0]=4 946 B11R1.888 COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)O Amb33339044 [0,1,0,1,0,0|2,0,0]=4 947 B11R1.64 CC[C@H]1C(=O)OC[C@H]1C(=O)O Amb27639476 [0,1,0,1,0,0|2,0,0]=4 948 B11R1.108 CC1CC(C(=O)O)C1C(=O)O Amb26595927 [0,1,0,1,0,0|2,0,0]=4 949 B11R1.108 O=C(O)C1CC(=O)C1C(=O)O Amb34149611 [0,1,0,1,0,0|1,1,0]=4 950 B11R1.108 O=C(O)[C@H]1CC(=O)[C@@H]1C(=O)O Amb34913067 [0,1,0,1,0,0|1,1,0]=4 951 B11R1.108 O=C(O)[C@H]1CC(=O)[C@H]1C(=O)O Amb34912796 [0,1,0,1,0,0|1,1,0]=4 952 B11R1.178 O=C(O)C1C=CCC1C(=O)O Amb28365373 [0,1,0,1,0,0|2,0,0]=4 953 B11R1.178 O=C(O)C1CCCC1C(=O)O Amb2732979 [0,1,0,1,0,0|2,0,0]=4 954 B11R1.178 O=C(O)C1CCNC1C(=O)O Amb22741053 [0,1,0,1,0,0|2,0,0]=4 955 B11R1.178 O=C(O)C1CNCC1C(=O)O Amb22495455 [0,1,0,1,0,0|2,0,0]=4 956 B11R1.178 O=C(O)C1CNCC1C(=O)O Amb32666021 [0,1,0,1,0,0|2,0,0]=4 957 B11R1.178 O=C(O)C1COCC1C(=O)O Amb23571987 [0,1,0,1,0,0|1,1,0]=4 958 B11R1.178 O=C(O)C1SCSC1C(=O)O Amb27408556 [0,1,0,1,0,0|0,0,0]=2 959 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O Amb6299712 [0,1,0,1,0,0|2,0,0]=4 960 B11R1.178 O=C(O)[C@@H]1CNC[C@@H]1C(=O)O Amb2695693 [0,1,0,1,0,0|2,0,0]=4 961 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(=O)O Amb25200351 [0,1,0,1,0,0|2,0,0]=4 962 B11R1.178 O=C(O)[C@@H]1CNC[C@H]1C(=O)O Amb32664021 [0,1,0,1,0,0|2,0,0]=4 963 B11R1.178 O=C(O)[C@@H]1COC[C@@H]1C(=O)O Amb26847108 [0,1,0,1,0,0|1,1,0]=4 964 B11R1.178 O=C(O)[C@@H]1CSC[C@H]1C(=O)O Amb28193749 [0,1,0,1,0,0|1,0,0]=3 965 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O Amb13890829 [0,1,0,1,0,0|2,0,0]=4 966 B11R1.178 O=C(O)[C@H]1CCN[C@@H]1C(=O)O Amb27422064 [0,1,0,1,0,0|2,0,0]=4 967 B11R1.178 O=C(O)[C@H]1CCN[C@H]1C(=O)O Amb27791852 [0,1,0,1,0,0|2,0,0]=4 968 B11R1.178 O=C(O)[C@H]1CNC[C@@H]1C(=O)O Amb25945306 [0,1,0,1,0,0|2,0,0]=4 969 B11R1.178 O=C(O)[C@H]1CNC[C@@H]1C(=O)O Amb28664288 [0,1,0,1,0,0|2,0,0]=4 970 B11R1.418 CS[C@@]1(C(=O)O)C[C@@H]1C(=O)O Amb28051888 [0,1,0,1,0,0|1,0,0]=3 971 B11R1.418 O=C(O)[C@@H]1C[C@]1(CO)C(=O)O Amb27768045 [0,1,0,1,0,0|1,1,0]=4 972 B11R1.418 O=C(O)[C@H]1C[C@@]1(CO)C(=O)O Amb26023028 [0,1,0,1,0,0|1,1,0]=4 973 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]=4 974 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]=4 975 B11R1.723 NC1(C(=O)O)CCC1C(=O)O Amb24381448 [0,1,0,1,0,0|2,0,0]=4 976 B11R1.1109 O=C(O)[C@H](O)C1(C(=O)O)CC1 Amb27816028 [0,1,0,1,0,0|1,1,0]=4 977 B11R2.60 O=C1OCC2C(=O)OCC12 Amb8487114 [0,0,0,2,0,0|2,0,0]=4 978 B11R2.1841 O=C(O)C12CC1(C(=O)O)C2 Amb28397896 [0,0,0,2,0,0|2,0,0]=4 979 B9R0.7 C=C(CCC(=O)O)C(=O)O Amb8391367 [1,0,0,0,0,1|1,0,1]=4 980 B9R0.7 CC(=O)C(C)CCC(=O)O Amb4020917 [1,0,0,0,0,1|2,0,0]=4 981 B9R0.7 CC(=O)C(F)CCC(=O)O Amb27620074 [1,0,0,0,0,1|2,0,0]=4 982 B9R0.7 CC(=O)C(N)CCC(=O)O Amb27875288 [1,0,0,0,0,1|2,0,0]=4 983 B9R0.7 CC(=O)C(O)CCC(=O)O Amb27826305 [1,0,0,0,0,1|1,1,0]=4 984 B9R0.7 CC(=O)CCC(N)C(=O)O Amb20669473 [1,0,0,0,0,1|2,0,0]=4 985 B9R0.7 CC(=O)CCC(N)C(=O)O Amb22157242 [1,0,0,0,0,1|2,0,0]=4 986 B9R0.7 CC(=O)CC[C@@H](N)C(=O)O Amb26516732 [1,0,0,0,0,1|2,0,0]=4 987 B9R0.7 CC(=O)CC[C@H](N)C(=O)O Amb25147501 [1,0,0,0,0,1|2,0,0]=4 988 B9R0.7 CC(=O)CSC(C)C(=O)O Amb17501621 [1,0,0,0,0,1|2,0,0]=4 989 B9R0.7 CC(=O)NCC(N)C(=O)O Amb26046380 [1,0,0,0,0,1|2,0,0]=4 990 B9R0.7 CC(=O)NC[C@H](C)C(=O)O Amb27472985 [1,0,0,0,0,1|2,0,0]=4 991 B9R0.7 CC(=O)OCC(C)C(=O)O Amb28050166 [1,0,0,0,0,1|2,0,0]=4 992 B9R0.7 CC(=O)OCC(N)C(=O)O Amb17593668 [1,0,0,0,0,1|2,0,0]=4 993 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O Amb2699176 [1,0,0,0,0,1|2,0,0]=4 994 B9R0.7 CC(=O)OC[C@@H]([NH3+])C(=O)O Amb3499386 [1,0,0,0,0,1|2,0,0]=4 995 B9R0.7 CC(=O)OC[C@H](C)C(=O)O Amb28340504 [1,0,0,0,0,1|2,0,0]=4 996 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb2778750 [1,0,0,0,0,1|2,0,0]=4 997 B9R0.7 CC(=O)OC[C@H](N)C(=O)O Amb33757552 [1,0,0,0,0,1|2,0,0]=4 998 B9R0.7 CC(=O)SCC(C)C(=O)O Amb2732386 [1,0,0,0,0,1|2,0,0]=4 999 B9R0.7 CC(=O)SCC(N)C(=O)O Amb22490452 [1,0,0,0,0,1|2,0,0]=4 1000 B9R0.7 CC(=O)SCC(O)C(=O)O Amb31030973 [1,0,0,0,0,1|1,1,0]=4 1001 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O Amb8628177 [1,0,0,0,0,1|2,0,0]=4 1002 B9R0.7 CC(=O)[C@H](C)CCC(=O)O Amb24671283 [1,0,0,0,0,1|2,0,0]=4 1003 B9R0.7 CC(CCC(=O)O)C(=O)O Amb6296609 [1,0,0,0,0,1|1,0,0]=3 1004 B9R0.7 CC(CNC(N)=O)C(=O)O Amb18298054 [1,0,0,0,0,1|2,0,0]=4 1005 B9R0.7 CC(NCC(=O)O)C(=O)O Amb26506272 [1,0,0,0,0,1|1,0,0]=3 1006 B9R0.7 CC(NCC(=O)O)C(=O)O Amb3427836 [1,0,0,0,0,1|1,0,0]=3 1007 B9R0.7 CC(NCC(=O)O)C(N)=O Amb9285399 [1,0,0,0,0,1|2,0,0]=4 1008 B9R0.7 CC(SCC(=O)O)C(=O)O Amb2431034 [1,0,0,0,0,1|1,0,0]=3 1009 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O Amb22799543 [1,0,0,0,0,1|1,0,0]=3 1010 B9R0.7 C[C@@H](CNC(N)=O)C(=O)O Amb10844047 [1,0,0,0,0,1|2,0,0]=4 1011 B9R0.7 C[C@@H](NCC(=O)O)C(=O)O Amb22748947 [1,0,0,0,0,1|1,0,0]=3 1012 B9R0.7 C[C@H](CCC(=O)O)C(=O)O Amb22225175 [1,0,0,0,0,1|1,0,0]=3 1013 B9R0.7 C[C@H](CNC(N)=O)C(=O)O Amb27235917 [1,0,0,0,0,1|2,0,0]=4 1014 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb25133540 [1,0,0,0,0,1|1,0,0]=3 1015 B9R0.7 C[C@H](NCC(=O)O)C(=O)O Amb33803333 [1,0,0,0,0,1|1,0,0]=3 1016 B9R0.7 C[C@H](NCC(=O)O)C(N)=O Amb27771293 [1,0,0,0,0,1|2,0,0]=4 1017 B9R0.7 C\C(=C/CC(=O)O)C(=O)O Amb27214024 [1,0,0,0,0,1|1,0,1]=4 1018 B9R0.7 C\C(=C\CC(=O)O)C(=O)O Amb25960751 [1,0,0,0,0,1|1,0,1]=4 1019 B9R0.7 C\C(=N/CC(=O)O)C(=O)O Amb27759453 [1,0,0,0,0,1|1,0,1]=4 1020 B9R0.7 NC(=O)C(N)CCC(=O)O Amb18644256 [1,0,0,0,0,1|2,0,0]=4 1021 B9R0.7 NC(=O)CCC(Br)C(=O)O Amb27828829 [1,0,0,0,0,1|2,0,0]=4 1022 B9R0.7 NC(=O)CCC(N)C(=O)O Amb9702792 [1,0,0,0,0,1|2,0,0]=4 1023 B9R0.7 NC(=O)CC[C@@H](Br)C(=O)O Amb28049993 [1,0,0,0,0,1|2,0,0]=4 1024 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Amb2688618 [1,0,0,0,0,1|2,0,0]=4 1025 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Amb6600045 [1,0,0,0,0,1|2,0,0]=4 1026 B9R0.7 NC(=O)NCC(F)C(=O)O Amb17610485 [1,0,0,0,0,1|2,0,0]=4 1027 B9R0.7 NC(=O)NCC(N)C(=O)O Amb4037018 [1,0,0,0,0,1|2,0,0]=4 1028 B9R0.7 NC(=O)NCC(O)C(=O)O Amb27464106 [1,0,0,0,0,1|1,1,0]=4 1029 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O Amb10068479 [1,0,0,0,0,1|2,0,0]=4 1030 B9R0.7 NC(=O)NC[C@H](N)C(=O)O Amb6298794 [1,0,0,0,0,1|2,0,0]=4 1031 B9R0.7 NC(=O)OCC(N)C(=O)O Amb26968173 [1,0,0,0,0,1|2,0,0]=4 1032 B9R0.7 NC(=O)OC[C@H](N)C(=O)O Amb28126945 [1,0,0,0,0,1|2,0,0]=4 1033 B9R0.7 NC(=O)SCC(N)C(=O)O Amb3993051 [1,0,0,0,0,1|2,0,0]=4 1034 B9R0.7 NC(=O)SC[C@@H](N)C(=O)O Amb10072293 [1,0,0,0,0,1|2,0,0]=4 1035 B9R0.7 NC(=O)SC[C@H](N)C(=O)O Amb22735296 [1,0,0,0,0,1|2,0,0]=4 1036 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O Amb22745051 [1,0,0,0,0,1|2,0,0]=4 1037 B9R0.7 NC(=O)[C@H](N)CCC(=O)O Amb24557281 [1,0,0,0,0,1|2,0,0]=4 1038 B9R0.7 NC(CCC(=O)Cl)C(=O)O Amb27816376 [1,0,0,0,0,1|2,0,0]=4 1039 B9R0.7 NC(CCC(=O)O)C(=O)O Amb8395158 [1,0,0,0,0,1|1,0,0]=3 1040 B9R0.7 NC(CCC(=O)O)C(=O)O Amb9703098 [1,0,0,0,0,1|1,0,0]=3 1041 B9R0.7 NC(CCC(=O)O)C(=O)[O-] Amb4014785 [1,0,0,0,0,1|1,0,1]=4 1042 B9R0.7 NC(CSC(=O)O)C(=O)O Amb27491502 [1,0,0,0,0,1|1,0,0]=3 1043 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb34915082 [1,0,0,0,0,1|1,0,0]=3 1044 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb3940322 [1,0,0,0,0,1|1,0,0]=3 1045 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Amb8513626 [1,0,0,0,0,1|1,0,0]=3 1046 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] Amb22745619 [1,0,0,0,0,1|1,0,1]=4 1047 B9R0.7 N[C@@H](CCC(O)=S)C(=O)O Amb24480492 [1,0,0,0,0,1|1,1,0]=4 1048 B9R0.7 N[C@@H](CCS(=O)O)C(=O)O Amb25972325 [1,0,0,0,0,1|2,0,0]=4 1049 B9R0.7 N[C@@H](CC[PH](=O)O)C(=O)O Amb22904307 [1,0,0,0,0,1|2,0,0]=4 1050 B9R0.7 N[C@@H](CSC(=O)O)C(=O)O Amb27666945 [1,0,0,0,0,1|1,0,0]=3 1051 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Amb2720565 [1,0,0,0,0,1|1,0,0]=3 1052 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb1154117 [1,0,0,0,0,1|0,1,1]=4 1053 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb16232496 [1,0,0,0,0,1|0,1,1]=4 1054 B9R0.7 O=C(O)CCC(=O)C(=O)O Amb22746233 [1,0,0,0,0,1|0,1,1]=4 1055 B9R0.7 O=C(O)CCC(Br)C(=O)O Amb26568399 [1,0,0,0,0,1|1,0,0]=3 1056 B9R0.7 O=C(O)CCC(Cl)C(=O)O Amb17594149 [1,0,0,0,0,1|1,0,0]=3 1057 B9R0.7 O=C(O)CCC(O)C(=O)O Amb18124864 [1,0,0,0,0,1|0,1,0]=3 1058 B9R0.7 O=C(O)CCC(S)C(=O)O Amb27983646 [1,0,0,0,0,1|0,0,0]=2 1059 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O Amb22799690 [1,0,0,0,0,1|0,1,0]=3 1060 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O Amb26885416 [1,0,0,0,0,1|1,0,0]=3 1061 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O Amb26590823 [1,0,0,0,0,1|1,0,0]=3 1062 B9R0.7 O=C(O)CC[C@H](O)C(=O)O Amb25948742 [1,0,0,0,0,1|0,1,0]=3 1063 B9R0.7 O=C(O)CNC(=O)C(=O)O Amb2447304 [1,0,0,0,0,1|0,1,1]=4 1064 B9R0.7 O=C(O)COC(=O)C(=O)O Amb28050116 [1,0,0,0,0,1|0,1,1]=4 1065 B9R0.7 O=C(O)C\C=C(/Cl)C(=O)O Amb27863082 [1,0,0,0,0,1|1,0,1]=4 1066 B9R0.7 O=C(O)[C@H](O)CO[PH](=O)O Amb27955235 [1,0,0,0,0,1|1,1,0]=4 1067 B9R0.53 CC(=O)C[C@@H](C)CC(=O)O Amb27881969 [1,0,0,0,0,1|2,0,0]=4 1068 B9R0.53 CC(=O)NC(C)CC(=O)O Amb9007551 [1,0,0,0,0,1|2,0,0]=4 1069 B9R0.53 CC(=O)N[C@@H](C)CC(=O)O Amb2372568 [1,0,0,0,0,1|2,0,0]=4 1070 B9R0.53 CC(=O)O[C@@H](C)CC(=O)O Amb28340506 [1,0,0,0,0,1|2,0,0]=4 1071 B9R0.53 CC(=O)SC(C)CC(=O)O Amb4014288 [1,0,0,0,0,1|2,0,0]=4 1072 B9R0.53 CC(CC(=O)O)CC(=O)O Amb2782854 [1,0,0,0,0,1|1,0,0]=3 1073 B9R0.53 CC(CC(=O)O)NC(N)=O Amb9018480 [1,0,0,0,0,1|2,0,0]=4 1074 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [1,0,0,0,0,1|2,0,0]=4 1075 B9R0.53 C[C@@H](CC(N)=O)CC(=O)O Amb27404517 [1,0,0,0,0,1|2,0,0]=4 1076 B9R0.53 C\C(=C/C(=O)O)CC(=O)O Amb24556420 [1,0,0,0,0,1|1,0,1]=4 1077 B9R0.53 C\C(=C\C(=O)O)CC(=O)O Amb26421861 [1,0,0,0,0,1|1,0,1]=4 1078 B9R0.53 NC(=O)CC(N)CC(=O)O Amb27837998 [1,0,0,0,0,1|2,0,0]=4 1079 B9R0.53 NC(=O)C[C@@H](N)CC(=O)O Amb26023970 [1,0,0,0,0,1|2,0,0]=4 1080 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [1,0,0,0,0,1|1,0,0]=3 1081 B9R0.53 NC(CC(=O)O)CC(=O)O Amb6296966 [1,0,0,0,0,1|1,0,0]=3 1082 B9R0.53 NN(CC(=O)O)CC(=O)O Amb534841 [1,0,0,0,0,1|2,0,0]=4 1083 B9R0.53 O=C(O)CC(=O)CC(=O)O Amb6298323 [1,0,0,0,0,1|0,1,1]=4 1084 B9R0.53 O=C(O)CC(Br)CC(=O)O Amb28049987 [1,0,0,0,0,1|1,0,0]=3 1085 B9R0.53 O=C(O)CC(O)CC(=O)O Amb17615401 [1,0,0,0,0,1|0,1,0]=3 1086 B9R0.53 O=C(O)CS(=O)CC(=O)O Amb6364793 [1,0,0,0,0,1|1,1,0]=4 1087 B9R0.53 O=C(O)\C=C(\Cl)CC(=O)O Amb2612119 [1,0,0,0,0,1|1,0,1]=4 1088 B9R0.53 [NH3+]N(CC(=O)O)CC(=O)O Amb23453377 [1,0,0,0,0,1|2,0,0]=4 1089 B11R0.149 NC(CC(=O)O)C(N)CC(=O)O Amb24114097 [0,0,0,0,0,2|2,0,0]=4 1090 B11R0.150 CC(C#CC(C)C(=O)O)C(=O)O Amb27858793 [0,0,0,0,0,2|2,0,0]=4 1091 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O Amb10602546 [0,0,0,0,0,2|2,0,0]=4 1092 B11R0.150 O=C(O)C(Br)CCC(Br)C(=O)O Amb4036374 [0,0,0,0,0,2|2,0,0]=4