0 B9R0.7 C=C(NCC(O)=O)C(O)=O Amb24350752 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.7 CC(=C)CCC(C)C(O)=O Amb25809141 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.7 CC(=C)CC[C@@H](C)C(O)=O Amb25685103 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.7 CC(=C)CC[C@@H](N)C(O)=O Amb25775219 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.7 CC(=C)COC(C)C(O)=O Amb24549744 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.7 CC(=C)CO[C@@H](C)C(O)=O Amb24505175 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.7 CC(=C)CO[C@H](C)C(O)=O Amb25772492 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.7 CC(=N)SCC(Cl)C(O)=O Amb18648569 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.7 CC(=O)C(=O)CCC(O)=O Amb24359327 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.7 CC(=O)C(Br)CCC(O)=O Amb25733508 [0,0,0,0,0,0|2,0,0]=2 10 B9R0.7 CC(=O)C(C)CCC(N)=O Amb25843826 [0,0,0,0,0,0|3,0,0]=3 11 B9R0.7 CC(=O)C(C)CNC(C)=O Amb24072033 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.7 CC(=O)C(C)SCC(C)=O Amb24482830 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.7 CC(=O)C(Cl)CCC(=O)Cl Amb24373858 [0,0,0,0,0,0|3,0,0]=3 14 B9R0.7 CC(=O)C(F)COC(C)=O Amb25319947 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.7 CC(=O)C(N)CCC(N)=O Amb25231237 [0,0,0,0,0,0|2,0,0]=2 16 B9R0.7 CC(=O)CCC(=C)C(C)=O Amb25303019 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.7 CC(=O)CCC(=O)C(C)=O Amb25852390 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.7 CC(=O)CCC(C)C(C)=C Amb25702190 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.7 CC(=O)CCC(C)C(C)=O Amb25146789 [0,0,0,0,0,0|3,0,0]=3 20 B9R0.7 CC(=O)CCC(C)C(O)=O Amb18644099 [0,0,0,0,0,0|2,0,0]=2 21 B9R0.7 CC(=O)CCC(Cl)C(C)=C Amb25242489 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.7 CC(=O)CCC(F)C(C)=O Amb25369738 [0,0,0,0,0,0|3,0,0]=3 23 B9R0.7 CC(=O)CCC(N)C(O)=O Amb20669473 [0,0,0,0,0,0|1,0,0]=1 24 B9R0.7 CC(=O)CCC(N)C(O)=O Amb22157242 [0,0,0,0,0,0|1,0,0]=1 25 B9R0.7 CC(=O)CCN(C)C(C)=O Amb24352049 [0,0,0,0,0,0|4,0,0]=4 26 B9R0.7 CC(=O)CC[C@@H](C)C(C)=C Amb24646916 [0,0,0,0,0,0|4,0,0]=4 27 B9R0.7 CC(=O)CC[C@@H](N)C(O)=O Amb19130479 [0,0,0,0,0,0|1,0,0]=1 28 B9R0.7 CC(=O)CC[C@H](C)C(C)=C Amb24583145 [0,0,0,0,0,0|4,0,0]=4 29 B9R0.7 CC(=O)CC[C@H](C)C(C)=O Amb25692099 [0,0,0,0,0,0|3,0,0]=3 30 B9R0.7 CC(=O)CC[C@H](N)C(O)=O Amb25147501 [0,0,0,0,0,0|1,0,0]=1 31 B9R0.7 CC(=O)CNC(=O)C(O)=O Amb24480846 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.7 CC(=O)CSC(C(=O)O)C Amb17501621 [0,0,0,0,0,0|3,0,0]=3 33 B9R0.7 CC(=O)N(C)CCC(N)=O Amb25688630 [0,0,0,0,0,0|4,0,0]=4 34 B9R0.7 CC(=O)NCC(C)C(O)=O Amb18300085 [0,0,0,0,0,0|3,0,0]=3 35 B9R0.7 CC(=O)NCC(F)C(O)=O Amb25356174 [0,0,0,0,0,0|3,0,0]=3 36 B9R0.7 CC(=O)NCC(O)C(O)=O Amb25374579 [0,0,0,0,0,0|3,0,0]=3 37 B9R0.7 CC(=O)NC[C@H](N)C(O)=O Amb25772091 [0,0,0,0,0,0|2,0,0]=2 38 B9R0.7 CC(=O)NC[C@H](O)C(O)=O Amb24480830 [0,0,0,0,0,0|3,0,0]=3 39 B9R0.7 CC(=O)NNC(C)C(O)=O Amb24679763 [0,0,0,0,0,0|4,0,0]=4 40 B9R0.7 CC(=O)NN[C@@H](C)C(O)=O Amb24068257 [0,0,0,0,0,0|4,0,0]=4 41 B9R0.7 CC(=O)OCC(=O)C(O)=O Amb24350556 [0,0,0,0,0,0|3,0,1]=4 42 B9R0.7 CC(=O)OCC(C(=O)O)N Amb17593668 [0,0,0,0,0,0|2,0,0]=2 43 B9R0.7 CC(=O)OCC(C)C(N)=O Amb24356443 [0,0,0,0,0,0|4,0,0]=4 44 B9R0.7 CC(=O)OCC(Cl)C(=O)Cl Amb24692678 [0,0,0,0,0,0|4,0,0]=4 45 B9R0.7 CC(=O)OCC(Cl)C(O)=O Amb24425506 [0,0,0,0,0,0|3,0,0]=3 46 B9R0.7 CC(=O)OC[C@@H](C)C(O)=O Amb25187888 [0,0,0,0,0,0|3,0,0]=3 47 B9R0.7 CC(=O)OC[C@@H](N)C(O)=O Amb22756697 [0,0,0,0,0,0|2,0,0]=2 48 B9R0.7 CC(=O)OC[C@H](C)C(N)=O Amb25147342 [0,0,0,0,0,0|4,0,0]=4 49 B9R0.7 CC(=O)ON[C@@H](C)C(O)=O Amb25096728 [0,0,0,0,0,0|4,0,0]=4 50 B9R0.7 CC(=O)SCC(=C)C(O)=O Amb24482306 [0,0,0,0,0,0|3,0,1]=4 51 B9R0.7 CC(=O)SCC(C(=O)Cl)C Amb16232721 [0,0,0,0,0,0|4,0,0]=4 52 B9R0.7 CC(=O)SCC(C)C(N)=O Amb22586594 [0,0,0,0,0,0|4,0,0]=4 53 B9R0.7 CC(=O)SCC(Cl)C(O)=O Amb24423824 [0,0,0,0,0,0|3,0,0]=3 54 B9R0.7 CC(=O)SCC(N)C(O)=O Amb22490452 [0,0,0,0,0,0|2,0,0]=2 55 B9R0.7 CC(=O)SC[C@@H](C(=O)O)N Amb16185419 [0,0,0,0,0,0|2,0,0]=2 56 B9R0.7 CC(=O)SC[C@H](C)C(=O)Cl Amb25230202 [0,0,0,0,0,0|4,0,0]=4 57 B9R0.7 CC(=O)[C@@H](C)CCC(O)=O Amb25333003 [0,0,0,0,0,0|2,0,0]=2 58 B9R0.7 CC(=O)[C@@H](N)CCC(N)=O Amb25142080 [0,0,0,0,0,0|2,0,0]=2 59 B9R0.7 CC(=O)[C@@H](N)CCC(O)=O Amb24386065 [0,0,0,0,0,0|1,0,0]=1 60 B9R0.7 CC(=O)[C@H](C)CCC(O)=O Amb24671283 [0,0,0,0,0,0|2,0,0]=2 61 B9R0.7 CC(=O)[C@H](C)COC(C)=O Amb24457434 [0,0,0,0,0,0|4,0,0]=4 62 B9R0.7 CC(C)=C(C)CCC(O)=O Amb24505016 [0,0,0,0,0,0|3,0,1]=4 63 B9R0.7 CC(C)=CCC(C)C(O)=O Amb18643879 [0,0,0,0,0,0|3,0,1]=4 64 B9R0.7 CC(C)=CCC(F)C(O)=O Amb24480809 [0,0,0,0,0,0|3,0,1]=4 65 B9R0.7 CC(C)=CCC(N)C(N)=O Amb24697159 [0,0,0,0,0,0|3,0,1]=4 66 B9R0.7 CC(C)=CC[C@@H](C)C(O)=O Amb24698988 [0,0,0,0,0,0|3,0,1]=4 67 B9R0.7 CC(C)=CC[C@H](N)C(O)=O Amb25836895 [0,0,0,0,0,0|2,0,1]=3 68 B9R0.7 CC(C)C(Br)CCC(O)=O Amb24640345 [0,0,0,0,0,0|3,0,1]=4 69 B9R0.7 CC(C)C(C)CCC(O)=O Amb25843702 [0,0,0,0,0,0|3,0,1]=4 70 B9R0.7 CC(C)C(Cl)CCC(O)=O Amb24413514 [0,0,0,0,0,0|3,0,1]=4 71 B9R0.7 CC(C)C(F)CCC(O)=O Amb24480880 [0,0,0,0,0,0|3,0,1]=4 72 B9R0.7 CC(C)C(N)CCC(O)=O Amb18124745 [0,0,0,0,0,0|2,0,1]=3 73 B9R0.7 CC(C)C(O)CCC(O)=O Amb25252592 [0,0,0,0,0,0|3,0,1]=4 74 B9R0.7 CC(C)C(S)CCC(O)=O Amb25723893 [0,0,0,0,0,0|3,0,1]=4 75 B9R0.7 CC(C)CCC(Br)C(O)=O Amb18131059 [0,0,0,0,0,0|3,0,1]=4 76 B9R0.7 CC(C)CCC(C)C(O)=O Amb19033547 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.7 CC(C)CCC(N)C(C)=O Amb18831542 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.7 CC(C)CCC(N)C(O)=O Amb19269152 [0,0,0,0,0,0|2,0,1]=3 79 B9R0.7 CC(C)CC[C@@H](N)C(=O)Cl Amb25086091 [0,0,0,0,0,0|3,0,1]=4 80 B9R0.7 CC(C)CC[C@@H](N)C(O)=O Amb19133196 [0,0,0,0,0,0|2,0,1]=3 81 B9R0.7 CC(C)CC[C@@H](N)C(O)=O Amb22899130 [0,0,0,0,0,0|2,0,1]=3 82 B9R0.7 CC(C)NCC(N)C(O)=O Amb25790256 [0,0,0,0,0,0|3,0,1]=4 83 B9R0.7 CC(C)NC[C@H](N)C(O)=O Amb24682685 [0,0,0,0,0,0|3,0,1]=4 84 B9R0.7 CC(C)OC[C@@H](N)C(O)=O Amb24479342 [0,0,0,0,0,0|3,0,1]=4 85 B9R0.7 CC(C)SC[C@@H](N)C(O)=O Amb18792510 [0,0,0,0,0,0|3,0,1]=4 86 B9R0.7 CC(C)SC[C@H](N)C(O)=O Amb25087870 [0,0,0,0,0,0|3,0,1]=4 87 B9R0.7 CC(C)[C@@H](C)CCC(O)=O Amb25076667 [0,0,0,0,0,0|3,0,1]=4 88 B9R0.7 CC(C)[C@H](N)CCC(O)=O Amb24452899 [0,0,0,0,0,0|2,0,1]=3 89 B9R0.7 CC(CCC(C)Br)C(O)=O Amb24452260 [0,0,0,0,0,0|3,0,1]=4 90 B9R0.7 CC(CCC(O)=O)[N+]([O-])=O Amb25221792 [0,0,0,0,0,0|2,0,1]=3 91 B9R0.7 CC(CNC(N)=O)C(O)=O Amb18298054 [0,0,0,0,0,0|3,0,0]=3 92 B9R0.7 CC(CSC(N)=S)C(O)=O Amb24509733 [0,0,0,0,0,0|3,1,0]=4 93 B9R0.7 CC(Cl)=CCC(N)C(O)=O Amb25326840 [0,0,0,0,0,0|2,0,1]=3 94 B9R0.7 CC(Cl)=CC[C@H](N)C(O)=O Amb24518555 [0,0,0,0,0,0|2,0,1]=3 95 B9R0.7 CC(Cl)C(O)CCC(O)=O Amb24677604 [0,0,0,0,0,0|3,0,1]=4 96 B9R0.7 CC(Cl)CCC(N)C(O)=O Amb24692699 [0,0,0,0,0,0|2,0,1]=3 97 B9R0.7 CC(Cl)CC[C@H](N)C(O)=O Amb24692939 [0,0,0,0,0,0|2,0,1]=3 98 B9R0.7 CC(F)=CCC(N)C(O)=O Amb24354283 [0,0,0,0,0,0|2,0,1]=3 99 B9R0.7 CC(F)C(O)CCC(O)=O Amb25831840 [0,0,0,0,0,0|3,0,1]=4 100 B9R0.7 CC(N)C(N)CCC(O)=O Amb24377171 [0,0,0,0,0,0|2,0,1]=3 101 B9R0.7 CC(N=CC(O)=O)C(O)=O Amb24446584 [0,0,0,0,0,0|2,0,1]=3 102 B9R0.7 CC(NCC(=C)Br)C(O)=O Amb18303282 [0,0,0,0,0,0|4,0,0]=4 103 B9R0.7 CC(O)C(=O)CCC(O)=O Amb25825263 [0,0,0,0,0,0|2,0,2]=4 104 B9R0.7 CC(O)C(C)OCC(O)=O Amb25185257 [0,0,0,0,0,0|3,0,1]=4 105 B9R0.7 CC(O)C(N)CNC(N)=O Amb25809645 [0,0,0,0,0,0|3,0,1]=4 106 B9R0.7 CC(O)C(O)CCC(O)=O Amb25054706 [0,0,0,0,0,0|2,0,1]=3 107 B9R0.7 CC(O)CCC(=C)C(O)=O Amb24375911 [0,0,0,0,0,0|2,0,2]=4 108 B9R0.7 CC(O)CCC(C)C(O)=O Amb25848509 [0,0,0,0,0,0|2,0,1]=3 109 B9R0.7 CC(O)CCC(F)C(C)=O Amb25093785 [0,0,0,0,0,0|3,0,1]=4 110 B9R0.7 CC(O)CNC(C)C(O)=O Amb18523859 [0,0,0,0,0,0|3,0,1]=4 111 B9R0.7 CC(O)CN[C@@H](C)C(O)=O Amb25129862 [0,0,0,0,0,0|3,0,1]=4 112 B9R0.7 CC(O)COC(C)C(O)=O Amb25146942 [0,0,0,0,0,0|3,0,1]=4 113 B9R0.7 CC(O)CSC(C)C(O)=O Amb18303285 [0,0,0,0,0,0|3,0,1]=4 114 B9R0.7 CC(O)NC[C@H](N)C(O)=O Amb24575047 [0,0,0,0,0,0|2,0,1]=3 115 B9R0.7 CC(OCC(N)=O)C(N)=O Amb25727276 [0,0,0,0,0,0|4,0,0]=4 116 B9R0.7 CC(OCC(N)=O)C(O)=O Amb24660109 [0,0,0,0,0,0|3,0,0]=3 117 B9R0.7 CC(OCC(O)=O)C(O)=O Amb25292152 [0,0,0,0,0,0|2,0,0]=2 118 B9R0.7 CC(SCC(=C)Br)C(O)=O Amb19005210 [0,0,0,0,0,0|4,0,0]=4 119 B9R0.7 CC(\C=C\C(N)=O)C(O)=O Amb25174967 [0,0,0,0,0,0|2,0,2]=4 120 B9R0.7 CC(\C=C\C(O)=O)C(O)=O Amb24409525 [0,0,0,0,0,0|1,0,2]=3 121 B9R0.7 CN(C)CCC(N)C(N)=O Amb19036813 [0,0,0,0,0,0|4,0,0]=4 122 B9R0.7 CN(C)CC[C@H](N)C(O)=O Amb25108550 [0,0,0,0,0,0|3,0,0]=3 123 B9R0.7 CN(CCC(O)=O)C(N)=O Amb18984979 [0,0,0,0,0,0|3,0,0]=3 124 B9R0.7 CN(CCC(O)=O)C([S-])=S Amb24486141 [0,0,0,0,0,0|2,2,0]=4 125 B9R0.7 CN(CCC(O)=O)[N+]([O-])=O Amb23481534 [0,0,0,0,0,0|3,0,1]=4 126 B9R0.7 CP(=O)OCC(N)C(O)=O Amb24724745 [0,0,0,0,0,0|3,0,0]=3 127 B9R0.7 CP(=O)OC[C@H](N)C(O)=O Amb25362185 [0,0,0,0,0,0|3,0,0]=3 128 B9R0.7 CP(O)CCC(N)C(O)=O Amb25295427 [0,0,0,0,0,0|2,0,0]=2 129 B9R0.7 CS(=N)CCC(N)C(O)=O Amb25243030 [0,0,0,0,0,0|3,0,0]=3 130 B9R0.7 CS(=N)CC[C@H](N)C(O)=O Amb25100927 [0,0,0,0,0,0|3,0,0]=3 131 B9R0.7 CS(=O)CC[C@@H](N)C(O)=O Amb19133021 [0,0,0,0,0,0|2,0,0]=2 132 B9R0.7 CS(=O)NCC(O)C(O)=O Amb25177159 [0,0,0,0,0,0|4,0,0]=4 133 B9R0.7 CS(=O)NC[C@H](N)C(O)=O Amb25798536 [0,0,0,0,0,0|3,0,0]=3 134 B9R0.7 CS(C)CCC(N)C(O)=O Amb25695887 [0,0,0,0,0,0|3,0,0]=3 135 B9R0.7 CS(C)CC[C@H](N)C(O)=O Amb24440849 [0,0,0,0,0,0|3,0,0]=3 136 B9R0.7 C[C@@H](CCC(C)=O)[C@@H](C)O Amb22747043 [0,0,0,0,0,0|3,0,1]=4 137 B9R0.7 C[C@@H](CCC(O)=O)C(O)=O Amb22799543 [0,0,0,0,0,0|1,0,0]=1 138 B9R0.7 C[C@@H](CC[N+]([O-])=O)C(O)=O Amb24330210 [0,0,0,0,0,0|2,0,1]=3 139 B9R0.7 C[C@@H](F)[C@H](N)CCC(O)=O Amb25042508 [0,0,0,0,0,0|2,0,1]=3 140 B9R0.7 C[C@@H](NCC(=C)Br)C(O)=O Amb24441867 [0,0,0,0,0,0|4,0,0]=4 141 B9R0.7 C[C@@H](NCC(=C)Cl)C(O)=O Amb25085078 [0,0,0,0,0,0|4,0,0]=4 142 B9R0.7 C[C@@H](NCC(N)=O)C(O)=O Amb25849548 [0,0,0,0,0,0|3,0,0]=3 143 B9R0.7 C[C@@H](NCC(O)=O)C(O)=O Amb22748947 [0,0,0,0,0,0|2,0,0]=2 144 B9R0.7 C[C@@H](O)[C@H](C)SCC(O)=O Amb25774489 [0,0,0,0,0,0|3,0,1]=4 145 B9R0.7 C[C@@H](OCC(=C)Br)C(O)=O Amb25061755 [0,0,0,0,0,0|4,0,0]=4 146 B9R0.7 C[C@@H](OCC(=C)Cl)C(O)=O Amb25146946 [0,0,0,0,0,0|4,0,0]=4 147 B9R0.7 C[C@@H](SCC(O)=O)C(O)=O Amb24482305 [0,0,0,0,0,0|2,0,0]=2 148 B9R0.7 C[C@H](CCC(O)=O)C(O)=O Amb22225175 [0,0,0,0,0,0|1,0,0]=1 149 B9R0.7 C[C@H](N)CC[C@@H](N)C(O)=O Amb25199121 [0,0,0,0,0,0|2,0,1]=3 150 B9R0.7 C[C@H](NCC(=C)Cl)C(O)=O Amb25135747 [0,0,0,0,0,0|4,0,0]=4 151 B9R0.7 C[C@H](NCC(N)=O)C(O)=O Amb24753576 [0,0,0,0,0,0|3,0,0]=3 152 B9R0.7 C[C@H](NCC(O)=O)C(O)=O Amb25133540 [0,0,0,0,0,0|2,0,0]=2 153 B9R0.7 C[C@H](O)CC[C@@H](C)C(O)=O Amb25378744 [0,0,0,0,0,0|2,0,1]=3 154 B9R0.7 C[C@H](O)[C@H](C)CCC(O)=O Amb25340448 [0,0,0,0,0,0|2,0,1]=3 155 B9R0.7 C[C@H](O)[C@H](O)CCC(N)=O Amb25138530 [0,0,0,0,0,0|3,0,1]=4 156 B9R0.7 C[C@H](OCC(=C)Br)C(O)=O Amb24471685 [0,0,0,0,0,0|4,0,0]=4 157 B9R0.7 C[C@H](OCC(=C)Cl)C(O)=O Amb25146948 [0,0,0,0,0,0|4,0,0]=4 158 B9R0.7 C[C@H](OCC(O)=O)C(O)=O Amb24393806 [0,0,0,0,0,0|2,0,0]=2 159 B9R0.7 C[S+](C)CC[C@@H](N)C(O)=O Amb22800534 [0,0,0,0,0,0|3,0,0]=3 160 B9R0.7 C[S+](C)CC[C@@H](N)C(O)=O Amb22800551 [0,0,0,0,0,0|3,0,0]=3 161 B9R0.7 C\C(=C\CC(C(=O)O)Cl)\Cl Amb17594711 [0,0,0,0,0,0|3,0,1]=4 162 B9R0.7 C\C(\Cl)=C\CC(C)C(O)=O Amb18126350 [0,0,0,0,0,0|3,0,1]=4 163 B9R0.7 C\C(\Cl)=C\CC(N)C(O)=O Amb24692752 [0,0,0,0,0,0|2,0,1]=3 164 B9R0.7 C\C(\Cl)=C\C[C@H](N)C(O)=O Amb24629700 [0,0,0,0,0,0|2,0,1]=3 165 B9R0.7 N=C(CCC(O)=O)C(O)=O Amb25064299 [0,0,0,0,0,0|0,0,2]=2 166 B9R0.7 NC(=N)NCC(N)C(O)=O Amb22169574 [0,0,0,0,0,0|3,0,0]=3 167 B9R0.7 NC(=N)NC[C@@H](C(=O)O)N Amb16232025 [0,0,0,0,0,0|3,0,0]=3 168 B9R0.7 NC(=N)NC[C@H](O)C(O)=O Amb25126652 [0,0,0,0,0,0|4,0,0]=4 169 B9R0.7 NC(=N)SCC(Br)C(O)=O Amb24648298 [0,0,0,0,0,0|4,0,0]=4 170 B9R0.7 NC(=N)SCC(Cl)C(O)=O Amb25258351 [0,0,0,0,0,0|4,0,0]=4 171 B9R0.7 NC(=O)C(=O)CCC(O)=O Amb25279394 [0,0,0,0,0,0|2,0,1]=3 172 B9R0.7 NC(=O)C(N)CCC(O)=O Amb18644256 [0,0,0,0,0,0|1,0,0]=1 173 B9R0.7 NC(=O)CCC(F)C(O)=O Amb24745286 [0,0,0,0,0,0|2,0,0]=2 174 B9R0.7 NC(=O)CCC(O)C(O)=O Amb25275311 [0,0,0,0,0,0|2,0,0]=2 175 B9R0.7 NC(=O)CC[13C@H](N)[13C](O)=O Amb22338972 [0,0,0,0,0,0|1,0,0]=1 176 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb22748708 [0,0,0,0,0,0|2,0,0]=2 177 B9R0.7 NC(=O)CC[C@H](Br)C(O)=O Amb25223377 [0,0,0,0,0,0|2,0,0]=2 178 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb24426852 [0,0,0,0,0,0|2,0,0]=2 179 B9R0.7 NC(=O)CC[C@H](O)C(N)=O Amb24480731 [0,0,0,0,0,0|3,0,0]=3 180 B9R0.7 NC(=O)NCC(C(=O)O)F Amb17610485 [0,0,0,0,0,0|3,0,0]=3 181 B9R0.7 NC(=O)NC[C@@H](C(=O)O)C Amb10844047 [0,0,0,0,0,0|3,0,0]=3 182 B9R0.7 NC(=O)NC[C@@H](F)C(O)=O Amb24389552 [0,0,0,0,0,0|3,0,0]=3 183 B9R0.7 NC(=O)NC[C@H](C(=O)O)N Amb10068479 [0,0,0,0,0,0|2,0,0]=2 184 B9R0.7 NC(=O)N[13CH2][13CH]([13C](=O)O)F Amb17610486 [0,0,0,0,0,0|3,0,0]=3 185 B9R0.7 NC(=O)N\C=C(/N)\C(O)=O Amb25113093 [0,0,0,0,0,0|2,0,2]=4 186 B9R0.7 NC(=O)N\C=C(\N)/C(O)=O Amb25174854 [0,0,0,0,0,0|2,0,2]=4 187 B9R0.7 NC(=O)SC[C@H](C(=O)O)N Amb10072293 [0,0,0,0,0,0|2,0,0]=2 188 B9R0.7 NC(=O)SC[C@H](N)C(O)=O Amb22735296 [0,0,0,0,0,0|2,0,0]=2 189 B9R0.7 NC(=O)[C@@H](N)CCC(O)=O Amb22745051 [0,0,0,0,0,0|1,0,0]=1 190 B9R0.7 NC(=O)[C@@H](N)CNC(N)=O Amb25147441 [0,0,0,0,0,0|3,0,0]=3 191 B9R0.7 NC(=O)[C@H](N)CCC(O)=O Amb24557281 [0,0,0,0,0,0|1,0,0]=1 192 B9R0.7 NC(=O)[C@H](N)CNC(N)=O Amb24548243 [0,0,0,0,0,0|3,0,0]=3 193 B9R0.7 NC(=S)CSC(C(=O)O)C Amb17503393 [0,0,0,0,0,0|3,1,0]=4 194 B9R0.7 NC(=[NH2+])SCC(Cl)C(O)=O Amb22054310 [0,0,0,0,0,0|4,0,0]=4 195 B9R0.7 NC(CCB(O)O)C(O)=O Amb22497480 [0,0,0,0,0,0|1,0,1]=2 196 B9R0.7 NC(CCC(=O)Br)C(O)=O Amb25224344 [0,0,0,0,0,0|1,0,0]=1 197 B9R0.7 NC(CCC(=O)Cl)C(=O)Cl Amb25101509 [0,0,0,0,0,0|2,0,0]=2 198 B9R0.7 NC(CCC(O)=O)C(=O)[Na] Amb24375221 [0,0,0,0,0,0|1,0,0]=1 199 B9R0.7 NC(CCC(O)=O)C(F)F Amb19148415 [0,0,0,0,0,0|2,0,1]=3 200 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350008 [0,0,0,0,0,0|0,0,0]=0 201 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350165 [0,0,0,0,0,0|0,0,0]=0 202 B9R0.7 NC(CCC(O)=O)P(O)=O Amb24340498 [0,0,0,0,0,0|1,0,0]=1 203 B9R0.7 NC(CCC(O)=O)[13C](O)=O Amb22367384 [0,0,0,0,0,0|0,0,0]=0 204 B9R0.7 NC(CCC(O)=S)C(O)=O Amb25039924 [0,0,0,0,0,0|0,1,0]=1 205 B9R0.7 NC(CCC([O-])=O)C([O-])=O Amb22369354 [0,0,0,0,0,0|0,0,2]=2 206 B9R0.7 NC(CCP(O)=O)C(O)=O Amb25276313 [0,0,0,0,0,0|1,0,0]=1 207 B9R0.7 NC(CCS(O)=O)C(O)=O Amb22349645 [0,0,0,0,0,0|1,0,0]=1 208 B9R0.7 NC(CC[13C](O)=O)C(O)=O Amb22366853 [0,0,0,0,0,0|0,0,0]=0 209 B9R0.7 NC(COS(=O)F)C(O)=O Amb24681444 [0,0,0,0,0,0|3,0,0]=3 210 B9R0.7 N[13C](=O)CC[C@@H](C(=O)O)N Amb17614783 [0,0,0,0,0,0|1,0,0]=1 211 B9R0.7 N[13C](=O)[13CH2][13CH2][13C@H](N)[13C](O)=O Amb22367371 [0,0,0,0,0,0|1,0,0]=1 212 B9R0.7 N[C@@H](CC=C(F)F)C(O)=O Amb25844566 [0,0,0,0,0,0|2,0,1]=3 213 B9R0.7 N[C@@H](CC=S(=O)=O)C(O)=O Amb24390366 [0,0,0,0,0,0|1,0,2]=3 214 B9R0.7 N[C@@H](CCC(=O)Br)C(O)=O Amb25123825 [0,0,0,0,0,0|1,0,0]=1 215 B9R0.7 N[C@@H](CCC(=O)Cl)C(=O)Cl Amb25138653 [0,0,0,0,0,0|2,0,0]=2 216 B9R0.7 N[C@@H](CCC(=O)Cl)C(O)=O Amb25065344 [0,0,0,0,0,0|1,0,0]=1 217 B9R0.7 N[C@@H](CCC(O)=O)C([O-])=O Amb22745619 [0,0,0,0,0,0|0,0,1]=1 218 B9R0.7 N[C@@H](CCC(O)=O)[13C](O)=O Amb22353662 [0,0,0,0,0,0|0,0,0]=0 219 B9R0.7 N[C@@H](CCC(O)=S)C(O)=O Amb24480492 [0,0,0,0,0,0|0,1,0]=1 220 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22338524 [0,0,0,0,0,0|0,0,1]=1 221 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22350063 [0,0,0,0,0,0|0,0,1]=1 222 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22800016 [0,0,0,0,0,0|0,0,1]=1 223 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22801488 [0,0,0,0,0,0|0,0,1]=1 224 B9R0.7 N[C@@H](CCC([O-])=O)C([O-])=O Amb22799952 [0,0,0,0,0,0|0,0,2]=2 225 B9R0.7 N[C@@H](CCP(O)=O)C(O)=O Amb22904307 [0,0,0,0,0,0|1,0,0]=1 226 B9R0.7 N[C@@H](CC[N+]([O-])=O)C(O)=O Amb25227987 [0,0,0,0,0,0|1,0,1]=2 227 B9R0.7 N[C@@H](CN[N+]([O-])=O)C(O)=O Amb24704075 [0,0,0,0,0,0|2,0,1]=3 228 B9R0.7 N[C@@H](CSC(F)F)C(O)=O Amb18180315 [0,0,0,0,0,0|3,0,1]=4 229 B9R0.7 N[C@@H]([13CH2]CC(O)=O)C(O)=O Amb22338711 [0,0,0,0,0,0|0,0,0]=0 230 B9R0.7 N[C@H](C(=O)O)CCC(C)C Amb16183866 [0,0,0,0,0,0|2,0,1]=3 231 B9R0.7 N[C@H](C(=O)O)CC[S+](C)C Amb10601599 [0,0,0,0,0,0|3,0,0]=3 232 B9R0.7 N[C@H](CCS(O)=O)C(O)=O Amb24099404 [0,0,0,0,0,0|1,0,0]=1 233 B9R0.7 O=C(Cl)CCC(Cl)C(=O)Cl Amb25759080 [0,0,0,0,0,0|3,0,0]=3 234 B9R0.7 OC(=O)C(=S)NCC(O)=O Amb24423880 [0,0,0,0,0,0|2,0,1]=3 235 B9R0.7 OC(=O)C(Cl)SCC(O)=O Amb24390363 [0,0,0,0,0,0|2,0,0]=2 236 B9R0.7 OC(=O)C(O)SCC(O)=O Amb24524554 [0,0,0,0,0,0|2,0,0]=2 237 B9R0.7 OC(=O)C=C=C(C(=O)O)C Amb17593578 [0,0,0,0,0,0|1,0,3]=4 238 B9R0.7 OC(=O)CCC(=O)C(=O)O Amb1154117 [0,0,0,0,0,0|1,0,1]=2 239 B9R0.7 OC(=O)CCC(=O)C(=O)[O-] Amb10072616 [0,0,0,0,0,0|1,0,2]=3 240 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22349893 [0,0,0,0,0,0|1,0,1]=2 241 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22350267 [0,0,0,0,0,0|1,0,1]=2 242 B9R0.7 OC(=O)CCC(=O)C(O)=O Amb22746233 [0,0,0,0,0,0|1,0,1]=2 243 B9R0.7 OC(=O)CCC(=O)[13C](O)=O Amb22055609 [0,0,0,0,0,0|1,0,1]=2 244 B9R0.7 OC(=O)CCC(C(=O)O)Cl Amb17594149 [0,0,0,0,0,0|1,0,0]=1 245 B9R0.7 OC(=O)CCC(C(=O)O)N Amb1778181 [0,0,0,0,0,0|0,0,0]=0 246 B9R0.7 OC(=O)CCC(F)C(O)=O Amb25708515 [0,0,0,0,0,0|1,0,0]=1 247 B9R0.7 OC(=O)CCC(O)C(O)=O Amb18124864 [0,0,0,0,0,0|1,0,0]=1 248 B9R0.7 OC(=O)CC[C@@H](O)C(O)=O Amb22799690 [0,0,0,0,0,0|1,0,0]=1 249 B9R0.7 OC(=O)CNC(=O)C(=O)C Amb17593639 [0,0,0,0,0,0|3,0,1]=4 250 B9R0.7 OC(=O)CNC(=O)C(=O)O Amb2447304 [0,0,0,0,0,0|2,0,1]=3 251 B9R0.7 OC(=O)CSC(C(=O)O)C Amb2431034 [0,0,0,0,0,0|2,0,0]=2 252 B9R0.7 OC(=O)\C(\Br)=C/CC(O)=O Amb25364176 [0,0,0,0,0,0|1,0,2]=3 253 B9R0.7 OC(=O)\C=C/C(O)C(O)=O Amb25757882 [0,0,0,0,0,0|1,0,2]=3 254 B9R0.7 [15NH2]C(=O)CC[C@@H](C(=O)O)N Amb17614782 [0,0,0,0,0,0|1,0,0]=1 255 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(O)=O Amb22338766 [0,0,0,0,0,0|1,0,0]=1 256 B9R0.7 [15NH2]C(CCC(O)=O)C(O)=O Amb22336520 [0,0,0,0,0,0|0,0,0]=0 257 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](O)=O)[13C](O)=O Amb22353585 [0,0,0,0,0,0|0,0,0]=0 258 B9R0.7 [15NH2][13C](=O)[13CH2][13CH2][13C@H]([15NH2])[13C](O)=O Amb22353586 [0,0,0,0,0,0|1,0,0]=1 259 B9R0.7 [O-]C(=O)C(=O)CCC(O)=O Amb22166891 [0,0,0,0,0,0|1,0,2]=3 260 B9R0.7 [O-]C(=O)CCC(=O)C(=O)[O-] Amb10072211 [0,0,0,0,0,0|1,0,3]=4 261 B9R0.7 [O-]C(=O)CCC(=O)C(O)=O Amb22231405 [0,0,0,0,0,0|1,0,2]=3 262 B9R0.7 [O-]C(=O)CCC(O)C([O-])=O Amb22055443 [0,0,0,0,0,0|1,0,2]=3 263 B9R0.7 [O-]C(=O)CC[C@@H](C(=O)[O-])O Amb17615400 [0,0,0,0,0,0|1,0,2]=3 264 B9R0.7 [O-]C(=O)CC[C@H](C(=O)[O-])O Amb17615399 [0,0,0,0,0,0|1,0,2]=3 265 B9R0.7 [O-][N+](=O)CC[C@H](C(=O)O)C Amb13883662 [0,0,0,0,0,0|2,0,1]=3 266 B8R0.8 C#CCCC(N)C(N)=O Amb25703121 [1,0,0,0,0,0|2,0,1]=4 267 B8R0.8 C#CCC[C@@H](N)C(N)=O Amb25368154 [1,0,0,0,0,0|2,0,1]=4 268 B8R0.8 C#CCC[C@@H](N)C(O)=O Amb24088809 [1,0,0,0,0,0|1,0,1]=3 269 B8R0.8 C#CCC[C@H](N)C(O)=O Amb24088866 [1,0,0,0,0,0|1,0,1]=3 270 B8R0.8 C=C(CCC=C)C(O)=O Amb18642395 [1,0,0,0,0,0|2,0,1]=4 271 B8R0.8 C=C=CCC(N)C(O)=O Amb25843448 [1,0,0,0,0,0|1,0,2]=4 272 B8R0.8 C=C=CC[C@H](N)C(O)=O Amb24355608 [1,0,0,0,0,0|1,0,2]=4 273 B8R0.8 C=CCCC(=O)C(O)=O Amb25738669 [1,0,0,0,0,0|2,0,1]=4 274 B8R0.8 C=CCCC(Cl)C(O)=O Amb25041973 [1,0,0,0,0,0|2,0,0]=3 275 B8R0.8 C=CCCC(N)C(N)=O Amb24333721 [1,0,0,0,0,0|2,0,0]=3 276 B8R0.8 C=CCCC(N)C(O)=O Amb24383848 [1,0,0,0,0,0|1,0,0]=2 277 B8R0.8 C=CCC[C@@H](N)C(O)=O Amb23439045 [1,0,0,0,0,0|1,0,0]=2 278 B8R0.8 C=CCOC(F)C(O)=O Amb24478688 [1,0,0,0,0,0|3,0,0]=4 279 B8R0.8 C=C\C=C\C(N)C(O)=O Amb24476635 [1,0,0,0,0,0|1,0,2]=4 280 B8R0.8 CC#CCC(N)C(O)=O Amb18988250 [1,0,0,0,0,0|1,0,2]=4 281 B8R0.8 CC#CC[C@@H](N)C(O)=O Amb22746783 [1,0,0,0,0,0|1,0,2]=4 282 B8R0.8 CC(=O)C(Br)CCCO Amb25146214 [1,0,0,0,0,0|2,0,1]=4 283 B8R0.8 CC(=O)C(O)CCCO Amb24364072 [1,0,0,0,0,0|2,0,1]=4 284 B8R0.8 CC(CCC#N)C(O)=O Amb24462559 [1,0,0,0,0,0|2,0,1]=4 285 B8R0.8 CC(CCC=C)C(O)=O Amb18642656 [1,0,0,0,0,0|2,0,0]=3 286 B8R0.8 CC(CCC=O)C(C)=C Amb18642472 [1,0,0,0,0,0|3,0,0]=4 287 B8R0.8 CC(CCC=O)C(C)=O Amb18642650 [1,0,0,0,0,0|2,0,0]=3 288 B8R0.8 CC(CCC=O)C(O)=O Amb18642767 [1,0,0,0,0,0|1,0,0]=2 289 B8R0.8 CC(CCCBr)C(O)=O Amb25321670 [1,0,0,0,0,0|2,0,1]=4 290 B8R0.8 CC(CCCF)C(O)=O Amb25244585 [1,0,0,0,0,0|2,0,1]=4 291 B8R0.8 CC(CCCN)C(O)=O Amb25146072 [1,0,0,0,0,0|2,0,1]=4 292 B8R0.8 CC(CCCO)C(=O)S Amb25221473 [1,0,0,0,0,0|1,1,1]=4 293 B8R0.8 CC(CNC=O)C(C)=O Amb24095657 [1,0,0,0,0,0|3,0,0]=4 294 B8R0.8 CC(CNC=O)C(O)=O Amb18299693 [1,0,0,0,0,0|2,0,0]=3 295 B8R0.8 CC(OCC=O)C(C)=O Amb24340213 [1,0,0,0,0,0|3,0,0]=4 296 B8R0.8 CCCCC(C(=O)C)N Amb1099238 [1,0,0,0,0,0|2,0,1]=4 297 B8R0.8 CCCCC(C(=O)O)Cl Amb17593750 [1,0,0,0,0,0|2,0,1]=4 298 B8R0.8 CCCCC(F)C(O)=O Amb25238781 [1,0,0,0,0,0|2,0,1]=4 299 B8R0.8 CCCCC(N)C(C)=O Amb22284085 [1,0,0,0,0,0|2,0,1]=4 300 B8R0.8 CCCCC(N)C(N)=O Amb18303664 [1,0,0,0,0,0|2,0,1]=4 301 B8R0.8 CCCCC(S)C(O)=O Amb25323873 [1,0,0,0,0,0|2,0,1]=4 302 B8R0.8 CCCC[C@@H](Br)C(O)=O Amb24377169 [1,0,0,0,0,0|2,0,1]=4 303 B8R0.8 CCCC[C@@H](C(=O)O)N Amb1995007 [1,0,0,0,0,0|1,0,1]=3 304 B8R0.8 CCCC[C@@H](C)C(O)=O Amb24590691 [1,0,0,0,0,0|2,0,1]=4 305 B8R0.8 CCCC[C@@H](N)C(N)=O Amb23438981 [1,0,0,0,0,0|2,0,1]=4 306 B8R0.8 CCCC[C@@H](S)C(O)=O Amb24478188 [1,0,0,0,0,0|2,0,1]=4 307 B8R0.8 CCCC[C@H](C(=O)O)N Amb1995006 [1,0,0,0,0,0|1,0,1]=3 308 B8R0.8 CCCC[C@H](C)C(O)=O Amb25850678 [1,0,0,0,0,0|2,0,1]=4 309 B8R0.8 CCCC[C@H](N)C(N)=O Amb25361837 [1,0,0,0,0,0|2,0,1]=4 310 B8R0.8 CCOC[C@H](N)C(O)=O Amb22737184 [1,0,0,0,0,0|2,0,1]=4 311 B8R0.8 CCOC[C@H](N)C(O)=O Amb24478577 [1,0,0,0,0,0|2,0,1]=4 312 B8R0.8 CCSC[C@@H](N)C(O)=O Amb22800347 [1,0,0,0,0,0|2,0,1]=4 313 B8R0.8 CN(CCC=O)C(N)=O Amb25146044 [1,0,0,0,0,0|3,0,0]=4 314 B8R0.8 CNCCC(C)C(O)=O Amb24641803 [1,0,0,0,0,0|3,0,0]=4 315 B8R0.8 CNCCC(O)C(O)=O Amb24540612 [1,0,0,0,0,0|3,0,0]=4 316 B8R0.8 CNCC[C@H](N)C(O)=O Amb24427654 [1,0,0,0,0,0|2,0,0]=3 317 B8R0.8 COCCC(C)C(O)=O Amb18523823 [1,0,0,0,0,0|3,0,0]=4 318 B8R0.8 COCCC(N)C(C)=O Amb24496676 [1,0,0,0,0,0|3,0,0]=4 319 B8R0.8 COCCC(N)C(N)=O Amb18311365 [1,0,0,0,0,0|3,0,0]=4 320 B8R0.8 COCC[C@@H](C(=O)O)N Amb16183872 [1,0,0,0,0,0|2,0,0]=3 321 B8R0.8 COCC[C@H](C(=O)O)N Amb16183870 [1,0,0,0,0,0|2,0,0]=3 322 B8R0.8 COCC[C@H](C)C(O)=O Amb24392969 [1,0,0,0,0,0|3,0,0]=4 323 B8R0.8 COCC[C@H](N)C(O)=O Amb24054991 [1,0,0,0,0,0|2,0,0]=3 324 B8R0.8 CONCC(N)C(O)=O Amb24392137 [1,0,0,0,0,0|3,0,0]=4 325 B8R0.8 CONC[C@H](N)C(O)=O Amb25376688 [1,0,0,0,0,0|3,0,0]=4 326 B8R0.8 CPOCC(N)C(O)=O Amb24423934 [1,0,0,0,0,0|3,0,0]=4 327 B8R0.8 CSCCC(Br)C(O)=O Amb24682715 [1,0,0,0,0,0|3,0,0]=4 328 B8R0.8 CSCCC(C(=O)Cl)N Amb17142908 [1,0,0,0,0,0|3,0,0]=4 329 B8R0.8 CSCCC(C(=O)N)N Amb17142872 [1,0,0,0,0,0|3,0,0]=4 330 B8R0.8 CSCCC(C(=O)O)N Amb1154122 [1,0,0,0,0,0|2,0,0]=3 331 B8R0.8 CSCCC(C)C(O)=O Amb24739356 [1,0,0,0,0,0|3,0,0]=4 332 B8R0.8 CSCCC(N)C(=O)S Amb24407336 [1,0,0,0,0,0|2,1,0]=4 333 B8R0.8 CSCCC(N)C(O)=O Amb22168296 [1,0,0,0,0,0|2,0,0]=3 334 B8R0.8 CSCCC(N)C(O)=O Amb22732346 [1,0,0,0,0,0|2,0,0]=3 335 B8R0.8 CSCCC(N)P(O)=O Amb25362071 [1,0,0,0,0,0|3,0,0]=4 336 B8R0.8 CSCCC(N)[13C](O)=O Amb22336208 [1,0,0,0,0,0|2,0,0]=3 337 B8R0.8 CSCCC(O)C(O)=O Amb18304609 [1,0,0,0,0,0|3,0,0]=4 338 B8R0.8 CSCC[C@@H](N)C(N)=O Amb18035930 [1,0,0,0,0,0|3,0,0]=4 339 B8R0.8 CSCC[C@@H](N)C(N)=O Amb22750575 [1,0,0,0,0,0|3,0,0]=4 340 B8R0.8 CSCC[C@@H](O)C(O)=O Amb25124092 [1,0,0,0,0,0|3,0,0]=4 341 B8R0.8 CSCC[C@@H](S)C(O)=O Amb24340077 [1,0,0,0,0,0|3,0,0]=4 342 B8R0.8 CSCC[C@H](Br)C(O)=O Amb25239326 [1,0,0,0,0,0|3,0,0]=4 343 B8R0.8 CSCC[C@H](N)C(O)=O Amb17942996 [1,0,0,0,0,0|2,0,0]=3 344 B8R0.8 CSCC[C@H](N)C(O)=O Amb22351191 [1,0,0,0,0,0|2,0,0]=3 345 B8R0.8 CSCC[C@H](N)P(O)=O Amb25826489 [1,0,0,0,0,0|3,0,0]=4 346 B8R0.8 CSCC[C@H]([15NH2])C(O)=O Amb22353588 [1,0,0,0,0,0|2,0,0]=3 347 B8R0.8 CSOC[C@H](N)C(O)=O Amb24428229 [1,0,0,0,0,0|3,0,0]=4 348 B8R0.8 CS[13CH2][13CH2][13CH]([13C](=O)O)O Amb17615592 [1,0,0,0,0,0|3,0,0]=4 349 B8R0.8 C[C@@H](CCC=C)C(C)=O Amb25114180 [1,0,0,0,0,0|3,0,0]=4 350 B8R0.8 C[C@@H](CCCBr)C(O)=O Amb24480227 [1,0,0,0,0,0|2,0,1]=4 351 B8R0.8 C[C@@H](NCC=C)C(O)=O Amb24481671 [1,0,0,0,0,0|3,0,0]=4 352 B8R0.8 C[C@@H](O)[C@@H](O)CCC=O Amb24469407 [1,0,0,0,0,0|2,0,1]=4 353 B8R0.8 C[C@H](CCC#N)C(O)=O Amb25790580 [1,0,0,0,0,0|2,0,1]=4 354 B8R0.8 C[C@H](CCC=C)C(O)=O Amb24337306 [1,0,0,0,0,0|2,0,0]=3 355 B8R0.8 C[C@H](CCCBr)C(O)=O Amb24480175 [1,0,0,0,0,0|2,0,1]=4 356 B8R0.8 C[Se]CCC(N)C(O)=O Amb20619393 [1,0,0,0,0,0|2,0,0]=3 357 B8R0.8 C[Se]CC[C@H](C(=O)O)N Amb10601590 [1,0,0,0,0,0|2,0,0]=3 358 B8R0.8 C\C=C/C[C@H](N)C(O)=O Amb24713154 [1,0,0,0,0,0|1,0,1]=3 359 B8R0.8 C\C=C\CC(C)C(O)=O Amb18642630 [1,0,0,0,0,0|2,0,1]=4 360 B8R0.8 C\C=C\CC(O)C(O)=O Amb18642742 [1,0,0,0,0,0|2,0,1]=4 361 B8R0.8 C\C=C\C[C@@H](N)C(O)=O Amb24632390 [1,0,0,0,0,0|1,0,1]=3 362 B8R0.8 NC(=O)C(O)CCCO Amb25104583 [1,0,0,0,0,0|2,0,1]=4 363 B8R0.8 NC(=O)[C@@H](O)CCCO Amb25804971 [1,0,0,0,0,0|2,0,1]=4 364 B8R0.8 NC(C#CCO)C(O)=O Amb24585112 [1,0,0,0,0,0|0,0,3]=4 365 B8R0.8 NC(C(=O)O)CCON Amb17593409 [1,0,0,0,0,0|2,0,0]=3 366 B8R0.8 NC(C(=O)O)CSC#N Amb17593655 [1,0,0,0,0,0|2,0,1]=4 367 B8R0.8 NC(CCC#N)C(O)=O Amb18642589 [1,0,0,0,0,0|1,0,1]=3 368 B8R0.8 NC(CCC=O)C(O)=O Amb24340141 [1,0,0,0,0,0|0,0,0]=1 369 B8R0.8 NC(CCCBr)C(O)=O Amb24480263 [1,0,0,0,0,0|1,0,1]=3 370 B8R0.8 NC(CCCBr)P(O)=O Amb24377501 [1,0,0,0,0,0|2,0,1]=4 371 B8R0.8 NC(CCCCl)C(O)=O Amb24472387 [1,0,0,0,0,0|1,0,1]=3 372 B8R0.8 NC(CCCF)C(O)=O Amb25366994 [1,0,0,0,0,0|1,0,1]=3 373 B8R0.8 NC(CCCO)C(O)=O Amb18642915 [1,0,0,0,0,0|0,0,1]=2 374 B8R0.8 NC(CCCO)C(O)=O Amb22900028 [1,0,0,0,0,0|0,0,1]=2 375 B8R0.8 NC(CCCO)P(O)=O Amb25726221 [1,0,0,0,0,0|1,0,1]=3 376 B8R0.8 NC(CN=C=O)C(O)=O Amb24423805 [1,0,0,0,0,0|1,0,1]=3 377 B8R0.8 NC(COCO)C(O)=O Amb24731952 [1,0,0,0,0,0|1,0,1]=3 378 B8R0.8 NC(CSC=O)C(O)=O Amb24670042 [1,0,0,0,0,0|1,0,0]=2 379 B8R0.8 NC(\C=C\CO)C(O)=O Amb24586215 [1,0,0,0,0,0|0,0,3]=4 380 B8R0.8 NCCCC(C(=O)O)Br Amb17595166 [1,0,0,0,0,0|2,0,1]=4 381 B8R0.8 NCCCC(Cl)C(O)=O Amb24626933 [1,0,0,0,0,0|2,0,1]=4 382 B8R0.8 NCCCC(N)C(N)=O Amb24118008 [1,0,0,0,0,0|2,0,1]=4 383 B8R0.8 NCCCC(N)C(O)=O Amb22489477 [1,0,0,0,0,0|1,0,1]=3 384 B8R0.8 NCCCC(N)C(O)=O Amb22492665 [1,0,0,0,0,0|1,0,1]=3 385 B8R0.8 NCCCC(O)C(O)=O Amb18124377 [1,0,0,0,0,0|2,0,1]=4 386 B8R0.8 NCCC[C@@H](N)C(O)=O Amb22801212 [1,0,0,0,0,0|1,0,1]=3 387 B8R0.8 NCCC[C@@H](O)C(O)=O Amb24459740 [1,0,0,0,0,0|2,0,1]=4 388 B8R0.8 NCCC[C@@H]([NH3+])C(=O)O Amb10807472 [1,0,0,0,0,0|1,0,2]=4 389 B8R0.8 NCCC[C@H](N)C(N)=O Amb24658293 [1,0,0,0,0,0|2,0,1]=4 390 B8R0.8 NCCC[C@H](N)C(O)=O Amb20240598 [1,0,0,0,0,0|1,0,1]=3 391 B8R0.8 NOCCC(N)C(O)=O Amb21858490 [1,0,0,0,0,0|2,0,0]=3 392 B8R0.8 NOCC[C@@H](N)C(O)=O Amb22745427 [1,0,0,0,0,0|2,0,0]=3 393 B8R0.8 NOCC[C@@H](N)C(O)=O Amb22751695 [1,0,0,0,0,0|2,0,0]=3 394 B8R0.8 N[C@@H](CCC=O)C(O)=O Amb25378080 [1,0,0,0,0,0|0,0,0]=1 395 B8R0.8 N[C@@H](CCCN)C(O)=O Amb22746434 [1,0,0,0,0,0|1,0,1]=3 396 B8R0.8 N[C@@H](CCNO)C(O)=O Amb24117852 [1,0,0,0,0,0|1,0,0]=2 397 B8R0.8 N[C@@H](CCNO)C(O)=O Amb24666196 [1,0,0,0,0,0|1,0,0]=2 398 B8R0.8 N[C@@H](CN=C=S)C(O)=O Amb24473247 [1,0,0,0,0,0|1,1,1]=4 399 B8R0.8 N[C@@H](CNC#N)C(O)=O Amb24551015 [1,0,0,0,0,0|2,0,1]=4 400 B8R0.8 N[C@@H](C\C=C\Cl)C(O)=O Amb25774032 [1,0,0,0,0,0|1,0,1]=3 401 B8R0.8 N[C@H](C(=O)O)CCC#N Amb16183912 [1,0,0,0,0,0|1,0,1]=3 402 B8R0.8 N[C@H](CCC#N)C(O)=O Amb25063958 [1,0,0,0,0,0|1,0,1]=3 403 B8R0.8 N[C@H](CCC=O)C(O)=O Amb24477812 [1,0,0,0,0,0|0,0,0]=1 404 B8R0.8 N[C@H](C\C=C\Cl)C(O)=O Amb25114338 [1,0,0,0,0,0|1,0,1]=3 405 B8R0.8 OC(=O)C(Br)CCCBr Amb22001929 [1,0,0,0,0,0|2,0,1]=4 406 B8R0.8 OC(=O)C(CCCCl)Br Amb17595866 [1,0,0,0,0,0|2,0,1]=4 407 B8R0.8 OC(=O)C(F)CCCCl Amb24683810 [1,0,0,0,0,0|2,0,1]=4 408 B8R0.8 OC(CNC=O)C(O)=O Amb25126146 [1,0,0,0,0,0|2,0,0]=3 409 B8R0.8 OCCCC(Cl)C(O)=O Amb25760339 [1,0,0,0,0,0|1,0,1]=3 410 B8R0.8 OCCCC(O)C(O)=O Amb18642939 [1,0,0,0,0,0|1,0,1]=3 411 B8R0.8 OCCC[C@@H](C(=O)O)N Amb16183887 [1,0,0,0,0,0|0,0,1]=2 412 B8R0.8 OCCC[C@H](O)C(O)=O Amb24744314 [1,0,0,0,0,0|1,0,1]=3 413 B8R0.8 O[C@@H](CNC=O)C(O)=O Amb24453193 [1,0,0,0,0,0|2,0,0]=3 414 B8R0.8 [13CH3]SCCC(N)C(O)=O Amb22351494 [1,0,0,0,0,0|2,0,0]=3 415 B8R0.8 [13CH3][Se]CCC(N)C(O)=O Amb22367237 [1,0,0,0,0,0|2,0,0]=3 416 B8R0.8 [N-]=[N+]=NC[C@H](N)C(O)=O Amb25072668 [1,0,0,0,0,0|3,0,0]=4 417 B8R0.9 C#CC(N)CCC(O)=O Amb22352566 [1,0,0,0,0,0|1,0,1]=3 418 B8R0.9 C=C(CCC(O)=O)C=C Amb18642412 [1,0,0,0,0,0|2,0,1]=4 419 B8R0.9 C=CC(=O)CCC(O)=O Amb22055999 [1,0,0,0,0,0|2,0,1]=4 420 B8R0.9 C=CC(N)CCC(O)=O Amb22056347 [1,0,0,0,0,0|1,0,0]=2 421 B8R0.9 C=CC(N)\C=C\C(O)=O Amb18642503 [1,0,0,0,0,0|1,0,2]=4 422 B8R0.9 C=CC(O)CCC(O)=O Amb25785193 [1,0,0,0,0,0|2,0,0]=3 423 B8R0.9 C=C[C@H](N)CCC(O)=O Amb25694354 [1,0,0,0,0,0|1,0,0]=2 424 B8R0.9 CC(=C)CCC(N)CO Amb25775333 [1,0,0,0,0,0|2,0,1]=4 425 B8R0.9 CC(=O)CCC(=C)C=O Amb24640352 [1,0,0,0,0,0|2,0,1]=4 426 B8R0.9 CC(=O)CCC(=O)C=O Amb25224384 [1,0,0,0,0,0|2,0,1]=4 427 B8R0.9 CC(=O)CCC(Cl)C=O Amb25275061 [1,0,0,0,0,0|2,0,0]=3 428 B8R0.9 CC(=O)CCC(Cl)CO Amb25274671 [1,0,0,0,0,0|2,0,1]=4 429 B8R0.9 CC(=O)CCC(F)CO Amb25200909 [1,0,0,0,0,0|2,0,1]=4 430 B8R0.9 CC(=O)CCC(N)CO Amb25257834 [1,0,0,0,0,0|1,0,1]=3 431 B8R0.9 CC(=O)CCC(O)C=C Amb24614737 [1,0,0,0,0,0|3,0,0]=4 432 B8R0.9 CC(=O)NCC(N)CO Amb25276356 [1,0,0,0,0,0|2,0,1]=4 433 B8R0.9 CC(=O)SCC(N)CO Amb25245383 [1,0,0,0,0,0|2,0,1]=4 434 B8R0.9 CC(C=C)NCC(O)=O Amb18310594 [1,0,0,0,0,0|3,0,0]=4 435 B8R0.9 CC(C=C)OCC(O)=O Amb18642764 [1,0,0,0,0,0|3,0,0]=4 436 B8R0.9 CC(C=C)SCC(O)=O Amb18311113 [1,0,0,0,0,0|3,0,0]=4 437 B8R0.9 CC(CBr)CCC(O)=O Amb25806134 [1,0,0,0,0,0|2,0,1]=4 438 B8R0.9 CC(CCC(=C)Cl)C=O Amb24532891 [1,0,0,0,0,0|3,0,0]=4 439 B8R0.9 CC(CCC(C)=C)C=O Amb18642470 [1,0,0,0,0,0|3,0,0]=4 440 B8R0.9 CC(CCC(C)=O)C=O Amb18642612 [1,0,0,0,0,0|2,0,0]=3 441 B8R0.9 CC(CCC(C)O)C=O Amb25781383 [1,0,0,0,0,0|2,0,1]=4 442 B8R0.9 CC(CCC(O)=O)=NO Amb25138471 [1,0,0,0,0,0|2,0,1]=4 443 B8R0.9 CC(CCC(O)=O)C#N Amb18642500 [1,0,0,0,0,0|2,0,1]=4 444 B8R0.9 CC(CCC(O)=O)C=C Amb18642631 [1,0,0,0,0,0|2,0,0]=3 445 B8R0.9 CC(CN)CCC(O)=O Amb22059189 [1,0,0,0,0,0|2,0,1]=4 446 B8R0.9 CC(CO)OCC(O)=O Amb25675017 [1,0,0,0,0,0|2,0,1]=4 447 B8R0.9 CC(CO)SCC(O)=O Amb18644427 [1,0,0,0,0,0|2,0,1]=4 448 B8R0.9 CC(COC(C)=O)C=O Amb18642789 [1,0,0,0,0,0|3,0,0]=4 449 B8R0.9 CC(O)CCC(O)C=O Amb18642880 [1,0,0,0,0,0|2,0,1]=4 450 B8R0.9 CCC(C)CCC(O)=O Amb22352932 [1,0,0,0,0,0|2,0,1]=4 451 B8R0.9 CCC(N)CCC(O)=O Amb21961489 [1,0,0,0,0,0|1,0,1]=3 452 B8R0.9 CC[C@@H](N)CCC(O)=O Amb25065764 [1,0,0,0,0,0|1,0,1]=3 453 B8R0.9 CC[C@H](N)CCC(O)=O Amb25835678 [1,0,0,0,0,0|1,0,1]=3 454 B8R0.9 CN(CCC(N)=O)C=O Amb25146008 [1,0,0,0,0,0|3,0,0]=4 455 B8R0.9 CN(CCC(O)=O)C=O Amb18984989 [1,0,0,0,0,0|2,0,0]=3 456 B8R0.9 CN(CCC(O)=O)N=O Amb22729196 [1,0,0,0,0,0|3,0,0]=4 457 B8R0.9 CNC(C)CCC(O)=O Amb25339418 [1,0,0,0,0,0|3,0,0]=4 458 B8R0.9 COC(C)CCC(O)=O Amb24271104 [1,0,0,0,0,0|3,0,0]=4 459 B8R0.9 CO[C@H](C)CCC(O)=O Amb24383667 [1,0,0,0,0,0|3,0,0]=4 460 B8R0.9 CSC(C)CCC(O)=O Amb22059071 [1,0,0,0,0,0|3,0,0]=4 461 B8R0.9 C[C@@H](CBr)CCC(O)=O Amb24458738 [1,0,0,0,0,0|2,0,1]=4 462 B8R0.9 C[C@@H](CC)CCC(=O)O Amb16231507 [1,0,0,0,0,0|2,0,1]=4 463 B8R0.9 C[C@@H](CCC(C)=O)C=O Amb24441758 [1,0,0,0,0,0|2,0,0]=3 464 B8R0.9 C[C@@H](CCC(O)=O)C=C Amb25859365 [1,0,0,0,0,0|2,0,0]=3 465 B8R0.9 C[C@H](CCC(O)=O)C#C Amb25250566 [1,0,0,0,0,0|2,0,1]=4 466 B8R0.9 C\C(\CCC(O)=O)=C\C Amb24681032 [1,0,0,0,0,0|2,0,1]=4 467 B8R0.9 C\C=C(/Br)\CCC(O)=O Amb25685237 [1,0,0,0,0,0|2,0,1]=4 468 B8R0.9 C\C=C(\Br)/CCC(O)=O Amb25210030 [1,0,0,0,0,0|2,0,1]=4 469 B8R0.9 C\C=C(\F)/CCC(O)=O Amb24670842 [1,0,0,0,0,0|2,0,1]=4 470 B8R0.9 NC(C=C)CCC(=O)O Amb10843623 [1,0,0,0,0,0|1,0,0]=2 471 B8R0.9 NC(CCC(N)=O)C#N Amb24340237 [1,0,0,0,0,0|2,0,1]=4 472 B8R0.9 NC(CCC(O)=O)CO Amb18642916 [1,0,0,0,0,0|0,0,1]=2 473 B8R0.9 NC(CF)CCC(N)=O Amb24599972 [1,0,0,0,0,0|2,0,1]=4 474 B8R0.9 NC(CF)CCC(O)=O Amb19148378 [1,0,0,0,0,0|1,0,1]=3 475 B8R0.9 NC(NCC(O)=O)=NO Amb24568694 [1,0,0,0,0,0|2,0,1]=4 476 B8R0.9 NCC(N)CCC(O)=O Amb19328773 [1,0,0,0,0,0|1,0,1]=3 477 B8R0.9 NCC(O)CCC(O)=O Amb18124376 [1,0,0,0,0,0|2,0,1]=4 478 B8R0.9 NC[C@H](O)CCC(O)=O Amb24383262 [1,0,0,0,0,0|2,0,1]=4 479 B8R0.9 N[C@@H](CCC(N)=O)C=O Amb25104754 [1,0,0,0,0,0|1,0,0]=2 480 B8R0.9 N[C@@H](CCC(O)=O)C=O Amb24347675 [1,0,0,0,0,0|0,0,0]=1 481 B8R0.9 N[C@@H](CCC(O)=O)CO Amb24685421 [1,0,0,0,0,0|0,0,1]=2 482 B8R0.9 N[C@H](C=C)CCC(=O)O Amb17621248 [1,0,0,0,0,0|1,0,0]=2 483 B8R0.9 N[C@H](CCC(O)=O)CO Amb25352213 [1,0,0,0,0,0|0,0,1]=2 484 B8R0.9 N[C@H](CF)CCC(O)=O Amb25339395 [1,0,0,0,0,0|1,0,1]=3 485 B8R0.9 N[C@H](CO)CCC(N)=O Amb24368577 [1,0,0,0,0,0|1,0,1]=3 486 B8R0.9 N[C@H](CS)CCC(O)=O Amb25348403 [1,0,0,0,0,0|0,1,1]=3 487 B8R0.9 O=NN(CCC(=O)O)C Amb17618592 [1,0,0,0,0,0|3,0,0]=4 488 B8R0.9 OC(=O)CCC(=O)C=O Amb18642737 [1,0,0,0,0,0|1,0,1]=3 489 B8R0.9 OC(=O)CCC(=O)CO Amb18642867 [1,0,0,0,0,0|1,0,2]=4 490 B8R0.9 OC(=O)CCC(Br)CBr Amb24575822 [1,0,0,0,0,0|2,0,1]=4 491 B8R0.9 OC(=O)CCC([NH3+])C=C Amb10845648 [1,0,0,0,0,0|1,0,1]=3 492 B8R0.9 OC(=O)CNC(=O)C=O Amb25328169 [1,0,0,0,0,0|2,0,1]=4 493 B8R0.9 OC(=O)\C=C\C(Cl)C=O Amb24382565 [1,0,0,0,0,0|1,0,2]=4 494 B8R0.9 OC(CCC(O)=O)=NO Amb24745795 [1,0,0,0,0,0|2,0,1]=4 495 B8R0.9 OCC(O)CCC(O)=O Amb18124400 [1,0,0,0,0,0|1,0,1]=3 496 B8R0.9 OC[C@H](O)CCC(O)=O Amb24528896 [1,0,0,0,0,0|1,0,1]=3 497 B8R0.28 C=C(Br)CNCC(O)=O Amb18303844 [1,0,0,0,0,0|3,0,0]=4 498 B8R0.28 C=C(Br)CSCC(O)=O Amb25369923 [1,0,0,0,0,0|3,0,0]=4 499 B8R0.28 C=C(F)CCCC(O)=O Amb22641515 [1,0,0,0,0,0|2,0,0]=3 500 B8R0.28 CC(=C)CCCC(C)=O Amb17739959 [1,0,0,0,0,0|3,0,0]=4 501 B8R0.28 CC(=N)NCCC(O)=O Amb25836109 [1,0,0,0,0,0|3,0,0]=4 502 B8R0.28 CC(=O)CCCB(O)O Amb24068595 [1,0,0,0,0,0|2,0,1]=4 503 B8R0.28 CC(=O)CCCC(=C)O Amb24422924 [1,0,0,0,0,0|2,0,0]=3 504 B8R0.28 CC(=O)CCCC(=O)Cl Amb24752758 [1,0,0,0,0,0|2,0,0]=3 505 B8R0.28 CC(=O)CCCC(=O)O Amb1158049 [1,0,0,0,0,0|1,0,0]=2 506 B8R0.28 CC(=O)CCCC(C)=O Amb24093532 [1,0,0,0,0,0|2,0,0]=3 507 B8R0.28 CC(=O)CCCC(N)=O Amb25259665 [1,0,0,0,0,0|2,0,0]=3 508 B8R0.28 CC(=O)CCC[N+]([O-])=O Amb18203187 [1,0,0,0,0,0|2,0,1]=4 509 B8R0.28 CC(=O)CCNC(=O)C Amb17102868 [1,0,0,0,0,0|3,0,0]=4 510 B8R0.28 CC(=O)CNCC(C)=O Amb22168687 [1,0,0,0,0,0|3,0,0]=4 511 B8R0.28 CC(=O)CNCC(O)=O Amb24375747 [1,0,0,0,0,0|2,0,0]=3 512 B8R0.28 CC(=O)COCC(N)=O Amb24070191 [1,0,0,0,0,0|3,0,0]=4 513 B8R0.28 CC(=O)CSCC(C)=O Amb25244895 [1,0,0,0,0,0|3,0,0]=4 514 B8R0.28 CC(=O)CSCC([O-])=O Amb20622616 [1,0,0,0,0,0|2,0,1]=4 515 B8R0.28 CC(=O)C\C=C\C(=O)O Amb16232091 [1,0,0,0,0,0|1,0,2]=4 516 B8R0.28 CC(=O)OCCC(O)=O Amb18642866 [1,0,0,0,0,0|2,0,0]=3 517 B8R0.28 CC(=O)SCCC(N)=O Amb24552735 [1,0,0,0,0,0|3,0,0]=4 518 B8R0.28 CC(=O)\C=N/CC(O)=O Amb25347610 [1,0,0,0,0,0|2,0,1]=4 519 B8R0.28 CC(=S)SCCC(O)=O Amb24480281 [1,0,0,0,0,0|2,1,0]=4 520 B8R0.28 CC(Br)=CCCC(O)=O Amb25200944 [1,0,0,0,0,0|2,0,1]=4 521 B8R0.28 CC(Br)CCCC(O)=O Amb24480052 [1,0,0,0,0,0|2,0,1]=4 522 B8R0.28 CC(CCCC(=O)O)O Amb2371277 [1,0,0,0,0,0|1,0,1]=3 523 B8R0.28 CC(CCCC(=O)[O-])O Amb17615415 [1,0,0,0,0,0|1,0,2]=4 524 B8R0.28 CC(Cl)CCCC(O)=O Amb24740888 [1,0,0,0,0,0|2,0,1]=4 525 B8R0.28 CC(N)CCCC(O)=O Amb22059416 [1,0,0,0,0,0|2,0,1]=4 526 B8R0.28 CC(O)CCCC(C)=O Amb24340114 [1,0,0,0,0,0|2,0,1]=4 527 B8R0.28 CC(O)CCCC(N)=O Amb24622764 [1,0,0,0,0,0|2,0,1]=4 528 B8R0.28 CC(O)CSCC(O)=O Amb19005278 [1,0,0,0,0,0|2,0,1]=4 529 B8R0.28 CS(=O)CCCC(O)=O Amb18306076 [1,0,0,0,0,0|2,0,0]=3 530 B8R0.28 C[C@@H](N)CCCC(O)=O Amb24435680 [1,0,0,0,0,0|2,0,1]=4 531 B8R0.28 C[C@H](O)CCCC(O)=O Amb25842809 [1,0,0,0,0,0|1,0,1]=3 532 B8R0.28 NC(=N)CCCC(O)=O Amb25757878 [1,0,0,0,0,0|2,0,0]=3 533 B8R0.28 NC(=N)CNCC(O)=O Amb25062019 [1,0,0,0,0,0|3,0,0]=4 534 B8R0.28 NC(=O)CCCC(N)=N Amb25173064 [1,0,0,0,0,0|3,0,0]=4 535 B8R0.28 NC(=O)CCCC(N)=O Amb24098550 [1,0,0,0,0,0|2,0,0]=3 536 B8R0.28 NC(=O)CCC[N+]([O-])=O Amb22432425 [1,0,0,0,0,0|2,0,1]=4 537 B8R0.28 NC(=O)CCOP(O)=O Amb24668254 [1,0,0,0,0,0|3,0,0]=4 538 B8R0.28 NC(=O)CSCC(=O)Cl Amb25288065 [1,0,0,0,0,0|3,0,0]=4 539 B8R0.28 NC(=O)CSCC(=O)O Amb1128074 [1,0,0,0,0,0|2,0,0]=3 540 B8R0.28 O=C(Cl)CNCC(=O)Cl Amb25360798 [1,0,0,0,0,0|3,0,0]=4 541 B8R0.28 O=C(Cl)COCC(=O)Cl Amb22228240 [1,0,0,0,0,0|3,0,0]=4 542 B8R0.28 OC(=O)C#CCC(O)=O Amb25850643 [1,0,0,0,0,0|0,0,2]=3 543 B8R0.28 OC(=O)C=C=CC(=O)O Amb17593335 [1,0,0,0,0,0|0,0,3]=4 544 B8R0.28 OC(=O)CCC=C(C)C Amb10601609 [1,0,0,0,0,0|2,0,1]=4 545 B8R0.28 OC(=O)CCC=C(F)F Amb25224993 [1,0,0,0,0,0|2,0,1]=4 546 B8R0.28 OC(=O)CCCC(=O)Br Amb24480005 [1,0,0,0,0,0|1,0,0]=2 547 B8R0.28 OC(=O)CCCC(Cl)Cl Amb24479944 [1,0,0,0,0,0|2,0,1]=4 548 B8R0.28 OC(=O)CCCC(F)F Amb24117996 [1,0,0,0,0,0|2,0,1]=4 549 B8R0.28 OC(=O)CCCC(O)=O Amb22351480 [1,0,0,0,0,0|0,0,0]=1 550 B8R0.28 OC(=O)CCCC(O)=O Amb22351829 [1,0,0,0,0,0|0,0,0]=1 551 B8R0.28 OC(=O)CCCP(O)=O Amb24480161 [1,0,0,0,0,0|1,0,0]=2 552 B8R0.28 OC(=O)CCNC(=O)C Amb1104704 [1,0,0,0,0,0|2,0,0]=3 553 B8R0.28 OC(=O)CCNC(S)=S Amb25765722 [1,0,0,0,0,0|1,2,0]=4 554 B8R0.28 OC(=O)CCSC(=N)N Amb1043190 [1,0,0,0,0,0|3,0,0]=4 555 B8R0.28 OC(=O)CCSC(=O)C Amb17607685 [1,0,0,0,0,0|2,0,0]=3 556 B8R0.28 OC(=O)CNC=P(O)=O Amb24558051 [1,0,0,0,0,0|2,0,1]=4 557 B8R0.28 OC(=O)CNCP(O)=O Amb24557425 [1,0,0,0,0,0|2,0,0]=3 558 B8R0.28 OC(=O)COCC(=O)Cl Amb25372456 [1,0,0,0,0,0|2,0,0]=3 559 B8R0.28 OC(=O)C\C=C\C(=O)O Amb1154189 [1,0,0,0,0,0|0,0,2]=3 560 B8R0.28 OC(=O)O[Sr]OC(O)=O Amb22353408 [1,0,0,0,0,0|3,0,0]=4 561 B8R0.28 OC(=S)COCC(O)=O Amb22262972 [1,0,0,0,0,0|1,1,0]=3 562 B8R0.28 OC(O)CCCC(O)=O Amb25205498 [1,0,0,0,0,0|0,0,2]=3 563 B8R0.28 O[13C](=O)CCC[13C](=O)O Amb17614793 [1,0,0,0,0,0|0,0,0]=1 564 B8R0.28 [O-]C(=O)CCCC([O-])=O Amb22729768 [1,0,0,0,0,0|0,0,2]=3 565 B8R0.28 [O-]C(=O)CNCC([O-])=O Amb20246814 [1,0,0,0,0,0|1,0,2]=4 566 B8R0.28 [O-]C(=O)CNCC([O-])=O Amb22351624 [1,0,0,0,0,0|1,0,2]=4 567 B8R0.28 [O-][N+](=O)CCCC(O)=O Amb24711043 [1,0,0,0,0,0|1,0,1]=3 568 B8R0.28 [O-][N+](=O)OCCC(O)=O Amb21953424 [1,0,0,0,0,0|2,0,1]=4 569 B10R0.12 CC(=O)OCC(N)P(O)(O)=O Amb24764681 [0,1,0,0,0,0|3,0,0]=4 570 B10R0.12 CC(C)(C)[C@@H](N)CCC(O)=O Amb25383637 [0,1,0,0,0,0|2,0,1]=4 571 B10R0.12 CC(C)(C)[C@H](N)CCC(O)=O Amb25383701 [0,1,0,0,0,0|2,0,1]=4 572 B10R0.12 CC(CCC(O)=O)S(O)(=O)=O Amb25386031 [0,1,0,0,0,0|2,0,0]=3 573 B10R0.12 CS(=O)CCC(N)P(O)(O)=O Amb25386012 [0,1,0,0,0,0|3,0,0]=4 574 B10R0.12 N[C@@H](CCC(O)=O)C(F)(F)F Amb19148511 [0,1,0,0,0,0|2,0,1]=4 575 B10R0.12 N[C@@H](CCC(O)=O)C(F)(F)F Amb24754809 [0,1,0,0,0,0|2,0,1]=4 576 B10R0.12 N[C@H](CCC(O)=O)C(F)(F)F Amb25383886 [0,1,0,0,0,0|2,0,1]=4 577 B10R0.13 CC(=C)CC(C)C(C)C(O)=O Amb24762085 [0,1,0,0,0,0|3,0,0]=4 578 B10R0.13 CC(=O)C(C)C(C)CC(O)=O Amb18645031 [0,1,0,0,0,0|2,0,0]=3 579 B10R0.13 CC(=O)CC(C)C(C)C(O)=O Amb18126130 [0,1,0,0,0,0|2,0,0]=3 580 B10R0.13 CC(=O)N(C)C(C)CC(O)=O Amb18224393 [0,1,0,0,0,0|3,0,0]=4 581 B10R0.13 CC(=O)NC(C)C(O)C(O)=O Amb25689384 [0,1,0,0,0,0|3,0,0]=4 582 B10R0.13 CC(=O)OC(C)C(N)C(O)=O Amb25385009 [0,1,0,0,0,0|2,0,0]=3 583 B10R0.13 CC(=O)O[C@@H](C)[C@@H](N)C(O)=O Amb22747815 [0,1,0,0,0,0|2,0,0]=3 584 B10R0.13 CC(=O)O[C@H](C)[C@H](C)C(O)=O Amb25384861 [0,1,0,0,0,0|3,0,0]=4 585 B10R0.13 CC(C(C)CC(O)=O)[N+]([O-])=O Amb24766160 [0,1,0,0,0,0|2,0,1]=4 586 B10R0.13 CC(C(N)=O)S(=O)CC(O)=O Amb18305129 [0,1,0,0,0,0|3,0,0]=4 587 B10R0.13 CC(C(O)=O)=C(C)CC(O)=O Amb25326749 [0,1,0,0,0,0|1,0,2]=4 588 B10R0.13 CC(C(O)=O)N(C)CC(O)=O Amb24751154 [0,1,0,0,0,0|2,0,0]=3 589 B10R0.13 CC(C(O)=O)S(=O)CC(N)=O Amb18304636 [0,1,0,0,0,0|3,0,0]=4 590 B10R0.13 CC(C)=CC(C)C(N)C(O)=O Amb24484645 [0,1,0,0,0,0|2,0,1]=4 591 B10R0.13 CC(C)C(N)C(C)CC(O)=O Amb23536747 [0,1,0,0,0,0|2,0,1]=4 592 B10R0.13 CC(C)C(N)C(O)CC(O)=O Amb25385695 [0,1,0,0,0,0|2,0,1]=4 593 B10R0.13 CC(C)CC(C)C(N)C(O)=O Amb25384855 [0,1,0,0,0,0|2,0,1]=4 594 B10R0.13 CC(C)[C@H](N)[C@@H](O)CC(O)=O Amb25379824 [0,1,0,0,0,0|2,0,1]=4 595 B10R0.13 CC(CC(O)=O)C(=O)C(O)=O Amb25386314 [0,1,0,0,0,0|1,0,1]=3 596 B10R0.13 CC(CC(O)=O)C(N)C(O)=O Amb23440872 [0,1,0,0,0,0|0,0,0]=1 597 B10R0.13 CC(CC(O)=O)N(C)C(N)=O Amb18830285 [0,1,0,0,0,0|3,0,0]=4 598 B10R0.13 CC(NC(N)=O)C(C)C(O)=O Amb24692783 [0,1,0,0,0,0|3,0,0]=4 599 B10R0.13 CC(O)CC(N)C(O)C(O)=O Amb25384591 [0,1,0,0,0,0|2,0,1]=4 600 B10R0.13 CC(OP(C)=O)C(N)C(O)=O Amb25383442 [0,1,0,0,0,0|3,0,0]=4 601 B10R0.13 C[C@@H](CC(O)=O)[C@@H](N)C(O)=O Amb19133152 [0,1,0,0,0,0|0,0,0]=1 602 B10R0.13 C[C@@H](CC(O)=O)[C@H](N)C(O)=O Amb19133150 [0,1,0,0,0,0|0,0,0]=1 603 B10R0.13 C[C@H](CC(O)=O)C(=O)C(O)=O Amb25385022 [0,1,0,0,0,0|1,0,1]=3 604 B10R0.13 C[C@H](NC(N)=O)[C@@H](C)C(O)=O Amb25363206 [0,1,0,0,0,0|3,0,0]=4 605 B10R0.13 C[C@H](NC(N)=O)[C@H](C)C(O)=O Amb25138793 [0,1,0,0,0,0|3,0,0]=4 606 B10R0.13 C[C@H](O)C[C@@H](N)[C@H](O)C(O)=O Amb25382155 [0,1,0,0,0,0|2,0,1]=4 607 B10R0.13 C[C@H](O)C[C@H](O)[C@@H](O)C(O)=O Amb25385175 [0,1,0,0,0,0|2,0,1]=4 608 B10R0.13 C[C@H](O)C[C@H](O)[C@H](O)C(O)=O Amb25385154 [0,1,0,0,0,0|2,0,1]=4 609 B10R0.13 C\C(\C(O)=O)=C(\C)/CC(O)=O Amb24373861 [0,1,0,0,0,0|1,0,2]=4 610 B10R0.13 NC(=O)C(N)C(O)CC(O)=O Amb25384597 [0,1,0,0,0,0|1,0,0]=2 611 B10R0.13 NC(=O)[C@@H](O)[C@@H](O)CC(N)=O Amb24766252 [0,1,0,0,0,0|3,0,0]=4 612 B10R0.13 NC(=O)[C@@H](O)[C@H](O)CC(N)=O Amb24766222 [0,1,0,0,0,0|3,0,0]=4 613 B10R0.13 NC(C(Cl)=CC(O)=O)C(O)=O Amb24374819 [0,1,0,0,0,0|0,0,2]=3 614 B10R0.13 NC(C(O)CC(O)=O)C(O)=O Amb25383245 [0,1,0,0,0,0|0,0,0]=1 615 B10R0.13 NC(CC(O)=O)C(N)C(O)=O Amb25386391 [0,1,0,0,0,0|0,0,0]=1 616 B10R0.13 NC(CC(O)=O)[C@H](N)C(O)=O Amb24764806 [0,1,0,0,0,0|0,0,0]=1 617 B10R0.13 N[C@@H](C(Cl)=CC(O)=O)C(O)=O Amb24758200 [0,1,0,0,0,0|0,0,2]=3 618 B10R0.13 N[C@@H](C(Cl)CC(O)=O)C(O)=O Amb24764556 [0,1,0,0,0,0|0,0,0]=1 619 B10R0.13 N[C@@H](C(O)CC(O)=O)C(O)=O Amb22746926 [0,1,0,0,0,0|0,0,0]=1 620 B10R0.13 N[C@@H]([C@@H](Cl)CC(O)=O)C(O)=O Amb25386256 [0,1,0,0,0,0|0,0,0]=1 621 B10R0.13 N[C@@H]([C@@H](F)CC(O)=O)C(O)=O Amb25386225 [0,1,0,0,0,0|0,0,0]=1 622 B10R0.13 N[C@@H]([C@H](F)CC(O)=O)C(O)=O Amb25386224 [0,1,0,0,0,0|0,0,0]=1 623 B10R0.13 N[C@H](C(F)CC(O)=O)C(O)=O Amb25383802 [0,1,0,0,0,0|0,0,0]=1 624 B10R0.13 N[C@H](\C(\Cl)=C\C(O)=O)C(O)=O Amb24688393 [0,1,0,0,0,0|0,0,2]=3 625 B10R0.13 OC(=O)C[C@@H]([C@H](C(=O)O)N)C Amb17617452 [0,1,0,0,0,0|0,0,0]=1 626 B10R0.13 OC(=O)C[C@H]([C@@H](C(=O)O)N)C Amb17617455 [0,1,0,0,0,0|0,0,0]=1 627 B10R0.13 OC(=O)[C@@H](O)[C@@H](O)CC(O)=O Amb25386187 [0,1,0,0,0,0|1,0,0]=2 628 B10R0.13 OC(=O)[C@@H](O)[C@H](O)CC(O)=O Amb25386186 [0,1,0,0,0,0|1,0,0]=2 629 B10R0.13 OC(CC(O)=O)C(Cl)C(O)=O Amb25386324 [0,1,0,0,0,0|1,0,0]=2 630 B10R0.43 CC(=C)CCC(C)(C)C(O)=O Amb18126019 [0,1,0,0,0,0|3,0,0]=4 631 B10R0.43 CC(=O)C(C)(C)CCC(O)=O Amb18126156 [0,1,0,0,0,0|2,0,0]=3 632 B10R0.43 CC(=O)CCC(C)(C)C(O)=O Amb18645019 [0,1,0,0,0,0|2,0,0]=3 633 B10R0.43 CC(=O)CSC(C(=O)O)(C)C Amb17501494 [0,1,0,0,0,0|3,0,0]=4 634 B10R0.43 CC(=O)NCC(C)(C)C(O)=O Amb25101566 [0,1,0,0,0,0|3,0,0]=4 635 B10R0.43 CC(C)(CCC(O)=O)C(N)=O Amb25382153 [0,1,0,0,0,0|2,0,0]=3 636 B10R0.43 CC(C)(CCC([O-])=O)C([O-])=O Amb21928649 [0,1,0,0,0,0|1,0,2]=4 637 B10R0.43 CC(C)(COC(N)=O)C(O)=O Amb25385152 [0,1,0,0,0,0|3,0,0]=4 638 B10R0.43 CC(C)(NCC(N)=O)C(O)=O Amb18306733 [0,1,0,0,0,0|3,0,0]=4 639 B10R0.43 CC(C)(NCC(O)=O)C(N)=O Amb18306310 [0,1,0,0,0,0|3,0,0]=4 640 B10R0.43 CC(C)(OCC(O)=O)C(O)=O Amb25384885 [0,1,0,0,0,0|2,0,0]=3 641 B10R0.43 CC(C)(SCC(O)=O)C(N)=O Amb25381511 [0,1,0,0,0,0|3,0,0]=4 642 B10R0.43 CC(C)(\C=C\C(O)=O)C(O)=O Amb24487945 [0,1,0,0,0,0|1,0,2]=4 643 B10R0.43 CC(C)=CC[C@@](C)(N)C(O)=O Amb25361062 [0,1,0,0,0,0|2,0,1]=4 644 B10R0.43 CC(C)=CC[C@](C)(N)C(O)=O Amb24559849 [0,1,0,0,0,0|2,0,1]=4 645 B10R0.43 CC(Cl)(CCC(O)=O)C(O)=O Amb25385218 [0,1,0,0,0,0|1,0,0]=2 646 B10R0.43 CC(Cl)(CCC(O)=O)[N+]([O-])=O Amb24766167 [0,1,0,0,0,0|2,0,1]=4 647 B10R0.43 CC(N)(CCC(N)=O)C(O)=O Amb25385217 [0,1,0,0,0,0|1,0,0]=2 648 B10R0.43 CC(N)(CCC(O)=O)C(O)=O Amb22801426 [0,1,0,0,0,0|0,0,0]=1 649 B10R0.43 CC(N)(\C=C\C(N)=O)C(O)=O Amb24655969 [0,1,0,0,0,0|1,0,2]=4 650 B10R0.43 CC(O)(CCC(O)=O)C(O)=O Amb25384878 [0,1,0,0,0,0|1,0,0]=2 651 B10R0.43 CC(O)C(C)(C)CCC(O)=O Amb25385247 [0,1,0,0,0,0|2,0,1]=4 652 B10R0.43 CN(C)CCC(C)(N)C(O)=O Amb18800387 [0,1,0,0,0,0|3,0,0]=4 653 B10R0.43 CS(=O)CCC(C)(C)C(O)=O Amb24765541 [0,1,0,0,0,0|3,0,0]=4 654 B10R0.43 C[C@@](O)(CCC(O)=O)C(O)=O Amb25386439 [0,1,0,0,0,0|1,0,0]=2 655 B10R0.43 C[C@](N)(CCB(O)O)C(O)=O Amb25383752 [0,1,0,0,0,0|1,0,1]=3 656 B10R0.43 NC(=O)CCC(C(=O)O)(F)N Amb10839407 [0,1,0,0,0,0|1,0,0]=2 657 B10R0.43 NC(=O)CSC(C(=O)O)(C)C Amb17501450 [0,1,0,0,0,0|3,0,0]=4 658 B10R0.43 NC(=O)CSC(F)(F)C(O)=O Amb25382400 [0,1,0,0,0,0|3,0,0]=4 659 B10R0.43 NC(=O)NCC(F)(F)C(O)=O Amb24690942 [0,1,0,0,0,0|3,0,0]=4 660 B10R0.43 OC(=O)CCC(Cl)(Cl)C(O)=O Amb25384394 [0,1,0,0,0,0|1,0,0]=2 661 B10R0.43 OC(=O)CCC(F)(F)C(O)=O Amb22263070 [0,1,0,0,0,0|1,0,0]=2 662 B10R0.43 OC(=O)CSC(C(=O)O)(C)C Amb17501462 [0,1,0,0,0,0|2,0,0]=3 663 B10R0.57 CC(=NO)C(=O)CCC(O)=O Amb25385214 [0,1,0,0,0,0|2,0,1]=4 664 B10R0.57 CC(=O)NCC(Br)C(=O)OC Amb25382333 [0,1,0,0,0,0|3,0,0]=4 665 B10R0.57 CC(=O)NCC(C)C(=O)OC Amb25385897 [0,1,0,0,0,0|3,0,0]=4 666 B10R0.57 CC(=O)NCC(Cl)C(=O)OC Amb25384848 [0,1,0,0,0,0|3,0,0]=4 667 B10R0.57 CC(=O)NCC(I)C(=O)OC Amb25382334 [0,1,0,0,0,0|3,0,0]=4 668 B10R0.57 CC(=O)NC[C@@H](C)C(=O)OC Amb25383898 [0,1,0,0,0,0|3,0,0]=4 669 B10R0.57 CC(=O)NC[C@@H](N)C(=O)OC Amb25385079 [0,1,0,0,0,0|2,0,0]=3 670 B10R0.57 CC(=O)NC[C@@H](O)C(=O)OC Amb24765401 [0,1,0,0,0,0|3,0,0]=4 671 B10R0.57 CC(=O)NC[C@H](C)C(=O)OC Amb24765397 [0,1,0,0,0,0|3,0,0]=4 672 B10R0.57 CC(=O)NC[C@H](O)C(=O)OC Amb25382700 [0,1,0,0,0,0|3,0,0]=4 673 B10R0.57 CC(=O)SC[C@@H](C)C(=O)OC Amb22801683 [0,1,0,0,0,0|3,0,0]=4 674 B10R0.57 CC(C)=CC[C@@H](N)C(=O)OC Amb24764707 [0,1,0,0,0,0|2,0,1]=4 675 B10R0.57 CC(C)=CC[C@H](N)C(=O)OC Amb24764709 [0,1,0,0,0,0|2,0,1]=4 676 B10R0.57 CN(C(=O)CC)CCC(=O)O Amb17400039 [0,1,0,0,0,0|3,0,0]=4 677 B10R0.57 CN(CCC(O)=O)C(=O)C#C Amb18984978 [0,1,0,0,0,0|3,0,0]=4 678 B10R0.57 CNC(=O)C(N)CCC(N)=O Amb24762716 [0,1,0,0,0,0|2,0,0]=3 679 B10R0.57 CNC(=O)N(C)CCC(O)=O Amb18977475 [0,1,0,0,0,0|3,0,0]=4 680 B10R0.57 COC(=O)C(=O)NCC(O)=O Amb25385135 [0,1,0,0,0,0|2,0,1]=4 681 B10R0.57 COC(=O)C(C)CCC(O)=O Amb22008198 [0,1,0,0,0,0|1,0,0]=2 682 B10R0.57 COC(=O)C(O)CNC(N)=O Amb25382332 [0,1,0,0,0,0|3,0,0]=4 683 B10R0.57 COC(=O)[C@@H](CCC(=O)N)N Amb10844892 [0,1,0,0,0,0|1,0,0]=2 684 B10R0.57 COC(=O)[C@@H](N)CCC(O)=O Amb22754032 [0,1,0,0,0,0|0,0,0]=1 685 B10R0.57 C\C(=C/CC(O)=O)\C(=O)OC Amb18126096 [0,1,0,0,0,0|1,0,2]=4 686 B10R0.57 NC(=O)CCC(N)C(=O)NO Amb25385851 [0,1,0,0,0,0|1,0,0]=2 687 B10R0.57 NC(=O)CC[C@H](N)C(=O)NO Amb24764528 [0,1,0,0,0,0|1,0,0]=2 688 B10R0.57 NC(C(=O)O[Na])CCC(=O)O Amb16224798 [0,1,0,0,0,0|0,0,0]=1 689 B10R0.57 NC(CCC(O)=O)C(=O)O[Na] Amb22730975 [0,1,0,0,0,0|0,0,0]=1 690 B10R0.57 OC(=O)CCC(=O)\C(\Cl)=N\O Amb25382148 [0,1,0,0,0,0|2,0,1]=4 691 B10R0.82 C#CC(=O)NCC(O)C(O)=O Amb24661769 [0,1,0,0,0,0|3,0,0]=4 692 B10R0.82 C#CC(=O)NC[C@H](N)C(O)=O Amb25210877 [0,1,0,0,0,0|2,0,0]=3 693 B10R0.82 C#CC(=O)OCC(N)C(O)=O Amb25386039 [0,1,0,0,0,0|2,0,0]=3 694 B10R0.82 C#CC(N)CCC(N)C(O)=O Amb24762938 [0,1,0,0,0,0|2,0,1]=4 695 B10R0.82 C=CC(=O)NCC(N)C(O)=O Amb24767302 [0,1,0,0,0,0|2,0,0]=3 696 B10R0.82 CC(=O)C(C)CNC(=O)OC Amb25385867 [0,1,0,0,0,0|3,0,0]=4 697 B10R0.82 CC(CNC(=O)C#C)C(O)=O Amb18299989 [0,1,0,0,0,0|3,0,0]=4 698 B10R0.82 CC(CNC(=O)C=C)C(O)=O Amb19027694 [0,1,0,0,0,0|3,0,0]=4 699 B10R0.82 CC(CNC(=O)CN)C(O)=O Amb18313397 [0,1,0,0,0,0|3,0,0]=4 700 B10R0.82 CC(CO)=CCC(N)C(O)=O Amb25385007 [0,1,0,0,0,0|1,0,1]=3 701 B10R0.82 CC(CO)=CC[C@H](N)C(O)=O Amb25384231 [0,1,0,0,0,0|1,0,1]=3 702 B10R0.82 CCC(=O)NCC(C)C(O)=O Amb19027634 [0,1,0,0,0,0|3,0,0]=4 703 B10R0.82 CCC(=O)NC[C@H](N)C(O)=O Amb25383897 [0,1,0,0,0,0|2,0,0]=3 704 B10R0.82 CCS(=O)CCC(N)C(O)=O Amb22730104 [0,1,0,0,0,0|2,0,0]=3 705 B10R0.82 CN=[N+]([O-])CCC(N)C(O)=O Amb25384605 [0,1,0,0,0,0|2,0,1]=4 706 B10R0.82 CN=[N+]([O-])CC[C@H](N)C(O)=O Amb25384249 [0,1,0,0,0,0|2,0,1]=4 707 B10R0.82 CNC(=O)CCC(=O)C(O)=O Amb25385153 [0,1,0,0,0,0|2,0,1]=4 708 B10R0.82 CNC(=O)CCC(N)C(O)=O Amb18645293 [0,1,0,0,0,0|1,0,0]=2 709 B10R0.82 CNC(=O)CN[C@@H](C)C(O)=O Amb25383665 [0,1,0,0,0,0|3,0,0]=4 710 B10R0.82 CNC(=O)CN[C@H](C)C(O)=O Amb25383671 [0,1,0,0,0,0|3,0,0]=4 711 B10R0.82 CNC(=O)CSC(F)C(O)=O Amb25382404 [0,1,0,0,0,0|3,0,0]=4 712 B10R0.82 CNC(=O)NCC(C)C(O)=O Amb18300018 [0,1,0,0,0,0|3,0,0]=4 713 B10R0.82 CNC(=O)NCC(N)C(O)=O Amb25806000 [0,1,0,0,0,0|2,0,0]=3 714 B10R0.82 CNC(=O)NC[C@H](N)C(O)=O Amb25361972 [0,1,0,0,0,0|2,0,0]=3 715 B10R0.82 CNC(=O)OCC(N)C(O)=O Amb25385001 [0,1,0,0,0,0|2,0,0]=3 716 B10R0.82 CNC(=O)SCC(N)C(O)=O Amb25383453 [0,1,0,0,0,0|2,0,0]=3 717 B10R0.82 CNC(=O)SC[C@@H](C(=O)O)N Amb17617278 [0,1,0,0,0,0|2,0,0]=3 718 B10R0.82 CNC(=O)SC[C@@H](N)C(O)=O Amb19133092 [0,1,0,0,0,0|2,0,0]=3 719 B10R0.82 COC(=O)CC[C@@H](C(=O)O)[NH3+] Amb10574405 [0,1,0,0,0,0|0,0,1]=2 720 B10R0.82 COC(=O)CC[C@@H](C)C(O)=O Amb22801605 [0,1,0,0,0,0|1,0,0]=2 721 B10R0.82 COC(=O)CC[C@@H](N)C(N)=O Amb22801394 [0,1,0,0,0,0|1,0,0]=2 722 B10R0.82 COC(=O)CC[C@@H](N)C(O)=O Amb22746068 [0,1,0,0,0,0|0,0,0]=1 723 B10R0.82 COC(=O)CC[C@H](C(=O)O)N Amb16183875 [0,1,0,0,0,0|0,0,0]=1 724 B10R0.82 COC(=O)CC[C@H](N)C(N)=O Amb22432474 [0,1,0,0,0,0|1,0,0]=2 725 B10R0.82 COC(=O)CC[C@H](N)C(O)=O Amb22336436 [0,1,0,0,0,0|0,0,0]=1 726 B10R0.82 COC(=O)NCC(C)C(O)=O Amb19027704 [0,1,0,0,0,0|2,0,0]=3 727 B10R0.82 COC(=O)NCC(O)C(N)=O Amb24755696 [0,1,0,0,0,0|3,0,0]=4 728 B10R0.82 COC(=O)NC[C@H](N)C(O)=O Amb25383797 [0,1,0,0,0,0|1,0,0]=2 729 B10R0.82 COC(=O)\C=C\C(N)C(O)=O Amb25385682 [0,1,0,0,0,0|0,0,2]=3 730 B10R0.82 C\C(=C\CC(=O)OC)\C(O)=O Amb25385213 [0,1,0,0,0,0|1,0,2]=4 731 B10R0.82 C\C(\CO)=C/C[C@H](N)C(O)=O Amb24763010 [0,1,0,0,0,0|1,0,1]=3 732 B10R0.82 C\N=[N+](\[O-])/CC[C@H](N)C(O)=O Amb25379956 [0,1,0,0,0,0|2,0,1]=4 733 B10R0.82 NC(CCC(=O)CCl)C(O)=O Amb21929315 [0,1,0,0,0,0|1,0,0]=2 734 B10R0.82 NC(CCC(=O)NO)C(O)=O Amb22350145 [0,1,0,0,0,0|0,0,0]=1 735 B10R0.82 NC(CCP(=O)CO)C([O-])=O Amb22167951 [0,1,0,0,0,0|1,0,1]=3 736 B10R0.82 NC(C\C=C(\Cl)/CO)C(O)=O Amb25386044 [0,1,0,0,0,0|1,0,1]=3 737 B10R0.82 NCC(CCC(C(=O)O)N)F Amb10839781 [0,1,0,0,0,0|2,0,1]=4 738 B10R0.82 NNC(=O)CC[C@@H](N)C(O)=O Amb22800002 [0,1,0,0,0,0|1,0,0]=2 739 B10R0.82 NNC(=O)CC[C@H](N)C(O)=O Amb25379957 [0,1,0,0,0,0|1,0,0]=2 740 B10R0.82 N[C@@H](CCC(F)CN)C(O)=O Amb24087707 [0,1,0,0,0,0|2,0,1]=4 741 B10R0.82 N[C@@H](CC[C@@H](O)CN)C(O)=O Amb22369708 [0,1,0,0,0,0|1,0,1]=3 742 B10R0.82 N[C@@H](CC[C@@H](O)CN)C(O)=O Amb22747912 [0,1,0,0,0,0|1,0,1]=3 743 B10R0.82 N[C@@H](CC[C@@H](O)CN)C(O)=O Amb24121192 [0,1,0,0,0,0|1,0,1]=3 744 B10R0.82 N[C@@H](CC[C@H](O)CN)C(O)=O Amb24117040 [0,1,0,0,0,0|1,0,1]=3 745 B10R0.82 N[C@@H](CNC(=O)C=O)C(O)=O Amb25383912 [0,1,0,0,0,0|1,0,1]=3 746 B10R0.82 N[C@@H](CNC(=O)CCl)C(O)=O Amb25386345 [0,1,0,0,0,0|2,0,0]=3 747 B10R0.82 N[C@@H](CNC(=O)CI)C(O)=O Amb25383795 [0,1,0,0,0,0|2,0,0]=3 748 B10R0.82 N[C@@H](CSC(Cl)=CCl)C(O)=O Amb25384250 [0,1,0,0,0,0|3,0,0]=4 749 B10R0.84 CC(=O)\C(\CCC(O)=O)=N/O Amb24765012 [0,1,0,0,0,0|1,0,2]=4 750 B10R0.84 CCC(C(=O)O)CCC(=O)O Amb10552864 [0,1,0,0,0,0|1,0,0]=2 751 B10R0.84 CCC(C(=O)O)SCC(=O)N Amb17501319 [0,1,0,0,0,0|3,0,0]=4 752 B10R0.84 CCC(C(=O)O)SCC(=O)O Amb17501325 [0,1,0,0,0,0|2,0,0]=3 753 B10R0.84 CC\C(=C/CC(O)=O)\C(O)=O Amb18644984 [0,1,0,0,0,0|1,0,2]=4 754 B10R0.84 CNC(C(=O)O)CCC(=O)O Amb13884886 [0,1,0,0,0,0|0,0,0]=1 755 B10R0.84 CN[C@@H](C(=O)O)CCC(=O)O Amb10604040 [0,1,0,0,0,0|0,0,0]=1 756 B10R0.84 CN[C@@H](CCC(N)=O)C(O)=O Amb22270246 [0,1,0,0,0,0|1,0,0]=2 757 B10R0.84 CN[C@@H](CCC(O)=O)C(O)=O Amb24117978 [0,1,0,0,0,0|0,0,0]=1 758 B10R0.84 CN[C@H](C(=O)O)CCC(=O)O Amb13884885 [0,1,0,0,0,0|0,0,0]=1 759 B10R0.84 C\C=C(\CCC(O)=O)/C(O)=O Amb25386289 [0,1,0,0,0,0|1,0,1]=3 760 B10R0.84 OC(=O)CC\C(=N\O)\C(O)=O Amb22365968 [0,1,0,0,0,0|0,0,2]=3 761 B10R0.84 [C-]#[N+]C(CCC(N)=O)C(N)=O Amb24766525 [0,1,0,0,0,0|2,0,1]=4 762 B10R0.92 CC(C)(C)CCC(N)C(O)=O Amb18307415 [0,1,0,0,0,0|2,0,1]=4 763 B10R0.92 CC(C)(C)CC[C@@H](N)C(O)=O Amb25383852 [0,1,0,0,0,0|2,0,1]=4 764 B10R0.92 CC(C)(N)CCC(N)C(O)=O Amb23555801 [0,1,0,0,0,0|2,0,1]=4 765 B10R0.92 CC(CCS(C)(=O)=O)C(O)=O Amb18305099 [0,1,0,0,0,0|2,0,1]=4 766 B10R0.92 CC(F)(F)CC[C@@H](N)C(O)=O Amb25383712 [0,1,0,0,0,0|2,0,1]=4 767 B10R0.92 CP(O)(=O)CCC(N)C(N)=O Amb24764769 [0,1,0,0,0,0|2,0,0]=3 768 B10R0.92 CP(O)(=O)CC[C@@H](N)C(O)=O Amb25384851 [0,1,0,0,0,0|1,0,0]=2 769 B10R0.92 CS(=N)(=O)CC[C@@H](N)C(O)=O Amb19133023 [0,1,0,0,0,0|2,0,0]=3 770 B10R0.92 CS(=N)(O)CC[C@H](N)C(O)=O Amb25382127 [0,1,0,0,0,0|2,0,0]=3 771 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(O)=O Amb22745329 [0,1,0,0,0,0|1,0,1]=3 772 B10R0.92 CS(=O)(=O)CC[C@H](N)C(N)=O Amb24764706 [0,1,0,0,0,0|2,0,1]=4 773 B10R0.92 CS(=O)(=O)NC[C@H](N)C(O)=O Amb25384881 [0,1,0,0,0,0|2,0,1]=4 774 B10R0.92 CS(=O)(=O)SC[C@@H](N)C(O)=O Amb19130403 [0,1,0,0,0,0|2,0,1]=4 775 B10R0.92 CS(C)(Cl)CCC(N)C(O)=O Amb25384324 [0,1,0,0,0,0|3,0,0]=4 776 B10R0.92 CS(C)(Cl)CC[C@H](N)C(O)=O Amb25386379 [0,1,0,0,0,0|3,0,0]=4 777 B10R0.92 CS(C)(O)CCC(N)C(O)=O Amb25384929 [0,1,0,0,0,0|2,0,0]=3 778 B10R0.92 C[S@@](=N)(=O)CC[C@@H](N)C(O)=O Amb19133024 [0,1,0,0,0,0|2,0,0]=3 779 B10R0.92 C[Si](C)(C)CC[C@@H](N)C(O)=O Amb25384952 [0,1,0,0,0,0|2,1,0]=4 780 B10R0.92 C[Si](C)(C)CC[C@H](N)C(O)=O Amb25384951 [0,1,0,0,0,0|2,1,0]=4 781 B10R0.92 NC(CCP(O)(O)=O)P(O)=O Amb25384568 [0,1,0,0,0,0|2,0,0]=3 782 B10R0.92 NC(CCP([O-])(O)=O)C(O)=O Amb19929419 [0,1,0,0,0,0|1,0,0]=2 783 B10R0.92 NC(COP(O)(O)=S)C(O)=O Amb24765260 [0,1,0,0,0,0|2,0,1]=4 784 B10R0.92 NC(COP(O)(O)O)C(O)=O Amb25385004 [0,1,0,0,0,0|2,0,1]=4 785 B10R0.92 NC(CSP(O)(O)=O)C(O)=O Amb24765261 [0,1,0,0,0,0|2,0,0]=3 786 B10R0.92 NC(CSP(O)(O)=S)C(O)=O Amb24765262 [0,1,0,0,0,0|2,0,1]=4 787 B10R0.92 NC(CSS(O)(=O)=O)C(O)=O Amb25384388 [0,1,0,0,0,0|2,0,0]=3 788 B10R0.92 N[C@@H](CCC(F)(F)F)C(O)=O Amb19889289 [0,1,0,0,0,0|2,0,1]=4 789 B10R0.92 N[C@@H](CCP(O)(O)=S)C(O)=O Amb19929411 [0,1,0,0,0,0|1,0,1]=3 790 B10R0.92 N[C@@H](CCS(O)(=O)=O)C(O)=O Amb22230810 [0,1,0,0,0,0|1,0,0]=2 791 B10R0.92 N[C@@H](COP(O)(O)=S)C(O)=O Amb25385815 [0,1,0,0,0,0|2,0,1]=4 792 B10R0.92 N[C@@H](COS(O)(=O)=O)C(O)=O Amb22800081 [0,1,0,0,0,0|2,0,0]=3 793 B10R0.92 N[C@@H](COS([O-])(=O)=O)C(O)=O Amb22352380 [0,1,0,0,0,0|2,0,1]=4 794 B10R0.92 N[C@@H](CSP(O)(O)=O)C(O)=O Amb25385816 [0,1,0,0,0,0|2,0,0]=3 795 B10R0.92 N[C@@H](CSP(O)(O)=S)C(O)=O Amb25385817 [0,1,0,0,0,0|2,0,1]=4 796 B10R0.92 N[C@@H](CSS(O)(=O)=O)C(O)=O Amb22348198 [0,1,0,0,0,0|2,0,0]=3 797 B10R0.92 N[C@H](CCC(F)(F)F)C(O)=O Amb19889288 [0,1,0,0,0,0|2,0,1]=4 798 B10R0.92 N[C@H](COP(O)(O)=O)C(O)=O Amb22231363 [0,1,0,0,0,0|2,0,0]=3 799 B10R0.92 N[C@H](CSS(O)(=O)=O)C(O)=O Amb25384507 [0,1,0,0,0,0|2,0,0]=3 800 B10R0.92 OC(=O)C(=O)CCP(O)(O)=O Amb25386301 [0,1,0,0,0,0|2,0,1]=4 801 B10R0.92 OC(=O)C(CCP(=O)(O)C)N Amb10072511 [0,1,0,0,0,0|1,0,0]=2 802 B10R0.92 OC(=O)C(CCS(=O)(=O)C)N Amb1905637 [0,1,0,0,0,0|1,0,1]=3 803 B10R0.92 OC(=O)[C@H](CC[S@@](=O)(=N)C)N Amb17616898 [0,1,0,0,0,0|2,0,0]=3 804 B10R0.92 OC(=O)[C@H](CC[S@](=O)(=N)C)N Amb17616899 [0,1,0,0,0,0|2,0,0]=3 805 B10R0.92 OC(=O)[C@H](CSS(=O)(=O)C)N Amb17607936 [0,1,0,0,0,0|2,0,1]=4 806 B10R0.92 OC(CCP(O)(O)=O)C(O)=O Amb25383200 [0,1,0,0,0,0|2,0,0]=3 807 B10R0.92 OC(CCS(O)(=O)=O)C(O)=O Amb25385005 [0,1,0,0,0,0|2,0,0]=3 808 B10R0.92 OC(COP(O)(=O)=O)C(O)=O Amb25383447 [0,1,0,0,0,0|3,0,0]=4 809 B10R0.92 O[C@@H](COP(O)(O)=O)C(O)=O Amb25386288 [0,1,0,0,0,0|3,0,0]=4 810 B10R0.92 [O-]C(=O)C(CCP(=O)(O)C)N Amb16233947 [0,1,0,0,0,0|1,0,1]=3 811 B10R0.93 BrC(C(=O)O)CC(C(=O)O)Br Amb17621581 [0,1,0,0,0,0|1,0,0]=2 812 B10R0.93 C=C(CC(N)C(N)=O)C(O)=O Amb25382149 [0,1,0,0,0,0|1,0,1]=3 813 B10R0.93 C=C(CC(N)C(O)=O)C(O)=O Amb18126175 [0,1,0,0,0,0|0,0,1]=2 814 B10R0.93 C=C(C[C@H](N)C(O)=O)C(N)=O Amb25386182 [0,1,0,0,0,0|1,0,1]=3 815 B10R0.93 CC(=O)C(N)CC(C)C(O)=O Amb24765255 [0,1,0,0,0,0|1,0,0]=2 816 B10R0.93 CC(=O)N(C)CC(C)C(O)=O Amb18984560 [0,1,0,0,0,0|3,0,0]=4 817 B10R0.93 CC(=O)[C@@H](N)C[C@@H](C)C(O)=O Amb25384326 [0,1,0,0,0,0|1,0,0]=2 818 B10R0.93 CC(C(=O)O)CC(=C)C(=O)O Amb10844068 [0,1,0,0,0,0|1,0,1]=3 819 B10R0.93 CC(C(=O)O)SC(C(=O)O)C Amb17501619 [0,1,0,0,0,0|2,0,0]=3 820 B10R0.93 CC(C)C(F)C[C@H](N)C(O)=O Amb25383169 [0,1,0,0,0,0|2,0,1]=4 821 B10R0.93 CC(C)C(N)CC(O)C(O)=O Amb25383445 [0,1,0,0,0,0|2,0,1]=4 822 B10R0.93 CC(C)[C@@H](C)C[C@H](N)C(O)=O Amb25384069 [0,1,0,0,0,0|2,0,1]=4 823 B10R0.93 CC(C)[C@H](C)C[C@H](N)C(O)=O Amb25384068 [0,1,0,0,0,0|2,0,1]=4 824 B10R0.93 CC(C)[C@H](F)C[C@@H](N)C(O)=O Amb25384964 [0,1,0,0,0,0|2,0,1]=4 825 B10R0.93 CC(C)[C@H](F)C[C@H](N)C(O)=O Amb25384963 [0,1,0,0,0,0|2,0,1]=4 826 B10R0.93 CC(CC(C)C(N)=O)C(N)=O Amb24764746 [0,1,0,0,0,0|3,0,0]=4 827 B10R0.93 CC(CC(C)C(O)=O)C(N)=O Amb25383441 [0,1,0,0,0,0|2,0,0]=3 828 B10R0.93 CC(CC(Cl)C(O)=O)C(O)=O Amb25386325 [0,1,0,0,0,0|1,0,0]=2 829 B10R0.93 CC(CC(N)C(O)=O)C(Cl)Cl Amb24765257 [0,1,0,0,0,0|2,0,1]=4 830 B10R0.93 CC(CC(N)C(O)=O)C(O)=O Amb23440871 [0,1,0,0,0,0|0,0,0]=1 831 B10R0.93 CC(CC(N)C(O)=O)C(O)O Amb24764390 [0,1,0,0,0,0|0,0,2]=3 832 B10R0.93 CC(CN(C)C(N)=O)C(O)=O Amb18292772 [0,1,0,0,0,0|3,0,0]=4 833 B10R0.93 CC(C[C@H](N)C(O)=O)=C(Cl)Cl Amb25329776 [0,1,0,0,0,0|2,0,1]=4 834 B10R0.93 CC(C[C@H](N)C(O)=O)C(Cl)Cl Amb25384498 [0,1,0,0,0,0|2,0,1]=4 835 B10R0.93 CC(C[C@H](N)C(O)=O)C(N)=O Amb25386389 [0,1,0,0,0,0|1,0,0]=2 836 B10R0.93 CC(C[C@H](N)C(O)=O)C(O)O Amb25384090 [0,1,0,0,0,0|0,0,2]=3 837 B10R0.93 CC(NC(=O)C(O)=O)C(O)=O Amb25108452 [0,1,0,0,0,0|2,0,1]=4 838 B10R0.93 CC(NC(C)C(O)=O)C(O)=O Amb18126275 [0,1,0,0,0,0|2,0,0]=3 839 B10R0.93 C[C@@H](C[C@@H](N)C(O)=O)C(O)=O Amb19133151 [0,1,0,0,0,0|0,0,0]=1 840 B10R0.93 C[C@@H](C[C@H](N)C(O)=O)C(Cl)Cl Amb25384389 [0,1,0,0,0,0|2,0,1]=4 841 B10R0.93 C[C@@H](NC(=O)C(O)=O)C(O)=O Amb19893389 [0,1,0,0,0,0|2,0,1]=4 842 B10R0.93 C[C@@H](N[C@H](C)C(O)=O)C(O)=O Amb25384906 [0,1,0,0,0,0|2,0,0]=3 843 B10R0.93 C[C@@H](O)[C@H](O)C[C@@H](N)C(O)=O Amb25382130 [0,1,0,0,0,0|1,0,1]=3 844 B10R0.93 C[C@@H](O[C@H](C)C(O)=O)C(O)=O Amb25386293 [0,1,0,0,0,0|2,0,0]=3 845 B10R0.93 C[C@H](C[C@H](N)C(O)=O)C(Cl)Cl Amb25385949 [0,1,0,0,0,0|2,0,1]=4 846 B10R0.93 C[C@H](NC(=O)C(O)=O)C(O)=O Amb19893397 [0,1,0,0,0,0|2,0,1]=4 847 B10R0.93 C[C@H](N[C@H](C)C(O)=O)C(N)=O Amb25384905 [0,1,0,0,0,0|3,0,0]=4 848 B10R0.93 C[C@H](N[C@H](C)C(O)=O)C(O)=O Amb25382979 [0,1,0,0,0,0|2,0,0]=3 849 B10R0.93 C[C@H](O)[C@@H](O)C[C@H](N)C(O)=O Amb25382131 [0,1,0,0,0,0|1,0,1]=3 850 B10R0.93 C[C@H](O)[C@H](O)C[C@@H](N)C(O)=O Amb25382129 [0,1,0,0,0,0|1,0,1]=3 851 B10R0.93 C[C@H](O[C@@H](C)C(O)=O)C(O)=O Amb25386287 [0,1,0,0,0,0|2,0,0]=3 852 B10R0.93 C[C@H](O[C@H](C)C(O)=O)C(O)=O Amb25386292 [0,1,0,0,0,0|2,0,0]=3 853 B10R0.93 C\C(=C/C(C)C(O)=O)\C(O)=O Amb25138641 [0,1,0,0,0,0|1,0,2]=4 854 B10R0.93 C\C(=C\C(C)C(O)=O)\C(O)=O Amb23591115 [0,1,0,0,0,0|1,0,2]=4 855 B10R0.93 F[C@H](C(=O)N)C[C@@H](C(=O)O)N Amb10839753 [0,1,0,0,0,0|1,0,0]=2 856 B10R0.93 F[C@H](C(=O)N)C[C@H](C(=O)O)N Amb10839752 [0,1,0,0,0,0|1,0,0]=2 857 B10R0.93 NC(=O)C(F)CC(N)C(O)=O Amb25386442 [0,1,0,0,0,0|1,0,0]=2 858 B10R0.93 NC(=O)C(F)C[C@H](N)C(O)=O Amb25383170 [0,1,0,0,0,0|1,0,0]=2 859 B10R0.93 NC(=O)C(N)CC(F)C(O)=O Amb25385219 [0,1,0,0,0,0|1,0,0]=2 860 B10R0.93 NC(=O)C(O)CC(F)C(N)=O Amb25380511 [0,1,0,0,0,0|3,0,0]=4 861 B10R0.93 NC(=O)C(O)CC(O)C(O)=O Amb25385182 [0,1,0,0,0,0|2,0,0]=3 862 B10R0.93 NC(=O)N(O)CC(N)C(O)=O Amb25385220 [0,1,0,0,0,0|2,0,0]=3 863 B10R0.93 NC(=O)N(O)C[C@H](N)C(O)=O Amb25383798 [0,1,0,0,0,0|2,0,0]=3 864 B10R0.93 NC(=O)[C@H](F)C[C@@H](N)C(O)=O Amb25384972 [0,1,0,0,0,0|1,0,0]=2 865 B10R0.93 NC(=O)[C@H](N)C[C@@H](F)C(O)=O Amb25384973 [0,1,0,0,0,0|1,0,0]=2 866 B10R0.93 NC(CC(N)C(O)=O)C(O)=O Amb24117887 [0,1,0,0,0,0|0,0,0]=1 867 B10R0.93 NC(O)C(O)CC(N)C(O)=O Amb25386028 [0,1,0,0,0,0|1,0,1]=3 868 B10R0.93 N[C@@H](CC(F)C(O)=O)C(O)=O Amb22800491 [0,1,0,0,0,0|0,0,0]=1 869 B10R0.93 N[C@@H](C[C@@H](F)C(O)=O)C(O)=O Amb24055860 [0,1,0,0,0,0|0,0,0]=1 870 B10R0.93 N[C@@H](C[C@@H](N)C(O)=O)C(O)=O Amb22746048 [0,1,0,0,0,0|0,0,0]=1 871 B10R0.93 N[C@@H](C[C@H](N)C(O)=O)C(O)=O Amb22388564 [0,1,0,0,0,0|0,0,0]=1 872 B10R0.93 N[C@@H](C[C@H](N)C(O)=O)C(O)=O Amb22745417 [0,1,0,0,0,0|0,0,0]=1 873 B10R0.93 N[C@@H](C[C@H](O)C(O)=O)C(O)=O Amb22800665 [0,1,0,0,0,0|0,0,0]=1 874 B10R0.93 N[C@@H](C[C@H](O)C(O)=O)C(O)=O Amb24117514 [0,1,0,0,0,0|0,0,0]=1 875 B10R0.93 N[C@H](C(=O)N)C[C@@H](C(=O)O)F Amb10838207 [0,1,0,0,0,0|1,0,0]=2 876 B10R0.93 N[C@H](C(=O)N)C[C@H](C(=O)O)F Amb10841109 [0,1,0,0,0,0|1,0,0]=2 877 B10R0.93 N[C@H](C[C@@H](N)C(O)=O)C(O)=O Amb22388558 [0,1,0,0,0,0|0,0,0]=1 878 B10R0.93 N[C@H](C[C@@H](O)C(O)=O)C(O)=O Amb25386295 [0,1,0,0,0,0|0,0,0]=1 879 B10R0.93 OC(=O)C(=O)CC(=O)C(O)=O Amb24754815 [0,1,0,0,0,0|1,0,2]=4 880 B10R0.93 OC(=O)C(Cl)CC(Cl)C(O)=O Amb25385940 [0,1,0,0,0,0|1,0,0]=2 881 B10R0.93 OC(=O)C(O)CC(O)C(O)=O Amb18645944 [0,1,0,0,0,0|1,0,0]=2 882 B10R0.93 OC(=O)C(S)CC(S)C(O)=O Amb25384913 [0,1,0,0,0,0|1,0,0]=2 883 B10R0.93 OC(=O)[C@@H](C[C@@H](C(=O)O)F)N Amb10839750 [0,1,0,0,0,0|0,0,0]=1 884 B10R0.93 OC(=O)[C@@H](C[C@@H](C(=O)O)N)C Amb10807462 [0,1,0,0,0,0|0,0,0]=1 885 B10R0.93 OC(=O)[C@H](C[C@@H](C(=O)O)F)N Amb10839751 [0,1,0,0,0,0|0,0,0]=1 886 B10R0.93 OC(=O)[C@H](C[C@@H](C(=O)O)N)C Amb17617454 [0,1,0,0,0,0|0,0,0]=1 887 B10R0.93 OC(=O)[C@H](O)C[C@@H](O)C(O)=O Amb25386296 [0,1,0,0,0,0|1,0,0]=2 888 B10R0.93 OC(=O)[C@H](S)C[C@@H](S)C(O)=O Amb25386192 [0,1,0,0,0,0|1,0,0]=2 889 B10R0.93 OC(C(=O)O)CC(=O)C(=O)O Amb17615458 [0,1,0,0,0,0|1,0,1]=3 890 B10R0.93 OC(SC(O)C(O)=O)C(O)=O Amb17772308 [0,1,0,0,0,0|2,0,0]=3 891 B10R0.93 O[C@H](CC(=O)C(O)=O)C(O)=O Amb25383809 [0,1,0,0,0,0|1,0,1]=3 892 B10R0.93 [NH3+]C(CC(O)C(O)=O)C([O-])=O Amb25385683 [0,1,0,0,0,0|0,0,2]=3 893 B10R1.13 CC(=O)C1CCC(=O)C=C1 Amb25718503 [0,0,0,1,0,0|3,0,0]=4 894 B10R1.13 CC(=O)C1CCC(=O)OC1 Amb25092970 [0,0,0,1,0,0|2,0,0]=3 895 B10R1.13 CC1CCC(NC1)C(O)=O Amb25324436 [0,0,0,1,0,0|2,0,1]=4 896 B10R1.13 CC=1CCC(CC1)C(O)=O Amb18124574 [0,0,0,1,0,0|3,0,0]=4 897 B10R1.13 CC=1CC[C@@H](CC1)C(O)=O Amb24746758 [0,0,0,1,0,0|3,0,0]=4 898 B10R1.13 CC=1CC[C@H](CC1)C(O)=O Amb24505311 [0,0,0,1,0,0|3,0,0]=4 899 B10R1.13 NC(=O)C1CCC(=O)CC1 Amb21964140 [0,0,0,1,0,0|3,0,0]=4 900 B10R1.13 NC(=O)C1CCC(=O)NC1 Amb20668378 [0,0,0,1,0,0|3,0,0]=4 901 B10R1.13 O=C1CCC(CC1)C(=O)Cl Amb10071440 [0,0,0,1,0,0|3,0,0]=4 902 B10R1.13 OC(=O)C1CC=C(F)CN1 Amb25175831 [0,0,0,1,0,0|2,0,1]=4 903 B10R1.13 OC(=O)C1CCC(=C)CC1 Amb15695314 [0,0,0,1,0,0|3,0,0]=4 904 B10R1.13 OC(=O)C1CCC(=O)CN1 Amb21960863 [0,0,0,1,0,0|1,0,0]=2 905 B10R1.13 OC(=O)C1CCC(=O)CO1 Amb23596936 [0,0,0,1,0,0|2,0,0]=3 906 B10R1.13 OC(=O)C1CCC(=O)CS1 Amb23596925 [0,0,0,1,0,0|2,0,0]=3 907 B10R1.13 OC(=O)C1CCC(=O)NN1 Amb23441127 [0,0,0,1,0,0|1,0,0]=2 908 B10R1.13 OC(=O)C1CCC(=O)SC1 Amb24637279 [0,0,0,1,0,0|1,1,0]=3 909 B10R1.13 OC(=O)C1CCC(Cl)=CC1 Amb18645430 [0,0,0,1,0,0|3,0,0]=4 910 B10R1.13 OC(=O)C1CCC(Cl)CN1 Amb25200089 [0,0,0,1,0,0|2,0,1]=4 911 B10R1.13 OC(=O)C1CCS(=O)CC1 Amb25295426 [0,0,0,1,0,0|3,0,0]=4 912 B10R1.13 OC(=O)C1CNC(=O)CN1 Amb22235954 [0,0,0,1,0,0|2,0,0]=3 913 B10R1.13 OC(=O)C1CNC(=O)CN1 Amb22641428 [0,0,0,1,0,0|2,0,0]=3 914 B10R1.13 OC(=O)C=1CCC(=O)CC1 Amb24656398 [0,0,0,1,0,0|2,0,1]=4 915 B10R1.13 OC(=O)C=1CCC(=O)NC1 Amb22011873 [0,0,0,1,0,0|2,0,1]=4 916 B10R1.13 OC(=O)[C@@H]1CCC(=O)CN1 Amb24655763 [0,0,0,1,0,0|1,0,0]=2 917 B10R1.13 OC(=O)[C@@H]1CC[C@@H](F)CN1 Amb24763804 [0,0,0,1,0,0|2,0,1]=4 918 B10R1.13 OC(=O)[C@@H]1CNC(=O)CN1 Amb22746776 [0,0,0,1,0,0|2,0,0]=3 919 B10R1.13 OC(=O)[C@@H]1CNC(=O)CN1 Amb22756547 [0,0,0,1,0,0|2,0,0]=3 920 B10R1.13 OC(=O)[C@H]1CC[C@@H](Cl)CN1 Amb24745771 [0,0,0,1,0,0|2,0,1]=4 921 B10R1.13 OC(=O)[C@H]1CNC(=O)CN1 Amb24423079 [0,0,0,1,0,0|2,0,0]=3 922 B10R1.13 OC1CCC(NC1)C(O)=O Amb22034512 [0,0,0,1,0,0|1,0,1]=3 923 B10R1.13 OC1CCC(OC1)C(O)=O Amb23596937 [0,0,0,1,0,0|2,0,1]=4 924 B10R1.13 OC1CCC(SC1)C(O)=O Amb23596932 [0,0,0,1,0,0|2,0,1]=4 925 B10R1.13 OC1CC[C@H](NC1)C(O)=O Amb24401087 [0,0,0,1,0,0|1,0,1]=3 926 B10R1.13 OC1CNC(CN1)C(O)=O Amb25332404 [0,0,0,1,0,0|2,0,1]=4 927 B10R1.13 O[C@@H]1CC[C@@H](NC1)C(O)=O Amb23440007 [0,0,0,1,0,0|1,0,1]=3 928 B10R1.13 O[C@@H]1CC[C@@H](NC1)C(O)=O Amb23440183 [0,0,0,1,0,0|1,0,1]=3 929 B10R1.13 O[C@@H]1CC[C@H](CC1)C(O)=O Amb22387641 [0,0,0,1,0,0|2,0,1]=4 930 B10R1.13 O[C@@H]1CC[C@H](NC1)C(O)=O Amb24120629 [0,0,0,1,0,0|1,0,1]=3 931 B10R1.13 O[C@H]1CC[C@@H](OC1)C(O)=O Amb24725149 [0,0,0,1,0,0|2,0,1]=4 932 B10R1.13 O[C@H]1CC[C@H](CC1)C(O)=O Amb22387642 [0,0,0,1,0,0|2,0,1]=4 933 B10R1.58 C=C1C[C@@H](CC1=O)C(O)=O Amb25789978 [0,0,0,1,0,0|2,0,1]=4 934 B10R1.58 C=C1C[C@@H](C[C@@H]1N)C(O)=O Amb25229776 [0,0,0,1,0,0|2,0,0]=3 935 B10R1.58 C=C1C[C@@H](NC1=O)C(O)=O Amb25821844 [0,0,0,1,0,0|2,0,1]=4 936 B10R1.58 C=C1C[C@H](C[C@H]1N)C(O)=O Amb25175067 [0,0,0,1,0,0|2,0,0]=3 937 B10R1.58 CC(=O)C1CC(C)C(=O)O1 Amb25146781 [0,0,0,1,0,0|2,0,0]=3 938 B10R1.58 CC(C)C1CC(N)C(=O)O1 Amb25200018 [0,0,0,1,0,0|2,0,1]=4 939 B10R1.58 CC(O)C1CC(Br)C(=O)O1 Amb24370140 [0,0,0,1,0,0|2,0,1]=4 940 B10R1.58 CC(O)C1CC(O)C(=O)O1 Amb25761049 [0,0,0,1,0,0|2,0,1]=4 941 B10R1.58 CC1C=C(OC1=O)C(O)=O Amb24505308 [0,0,0,1,0,0|1,0,2]=4 942 B10R1.58 CC1CC(CC1O)C(O)=O Amb25072588 [0,0,0,1,0,0|2,0,1]=4 943 B10R1.58 CC1CC(NC1=O)C(O)=O Amb24561629 [0,0,0,1,0,0|2,0,0]=3 944 B10R1.58 CC1CC(OC1=O)C(=O)Cl Amb25124855 [0,0,0,1,0,0|2,0,0]=3 945 B10R1.58 CC1C[C@H](NC1=O)C(O)=O Amb24425935 [0,0,0,1,0,0|2,0,0]=3 946 B10R1.58 CC1C[C@H](NC1O)C(O)=O Amb25759035 [0,0,0,1,0,0|2,0,1]=4 947 B10R1.58 CC1NC(CC1=O)C(O)=O Amb24681544 [0,0,0,1,0,0|3,0,0]=4 948 B10R1.58 CC1OC(CC1C)C(O)=O Amb24368255 [0,0,0,1,0,0|2,0,1]=4 949 B10R1.58 CC1OC(CC1O)C(O)=O Amb24366663 [0,0,0,1,0,0|2,0,1]=4 950 B10R1.58 CC1SC(CC1=O)C(O)=O Amb24061426 [0,0,0,1,0,0|3,0,0]=4 951 B10R1.58 CN1C[C@@H](NC1=O)C(O)=O Amb23598492 [0,0,0,1,0,0|3,0,0]=4 952 B10R1.58 CN1C[C@H](OC1=O)C(O)=O Amb25696396 [0,0,0,1,0,0|2,0,0]=3 953 B10R1.58 C[C@@H](O)[C@@H]1C[C@H](O)C(=O)O1 Amb24515478 [0,0,0,1,0,0|2,0,1]=4 954 B10R1.58 C[C@@H]1C[C@H](NC1=O)C(O)=O Amb25294315 [0,0,0,1,0,0|2,0,0]=3 955 B10R1.58 C[C@@H]1N[C@@H](CC1=O)C(O)=O Amb25176921 [0,0,0,1,0,0|3,0,0]=4 956 B10R1.58 C[C@@H]1O[C@H](C[C@H]1O)C(O)=O Amb24599918 [0,0,0,1,0,0|2,0,1]=4 957 B10R1.58 C[C@H](O)[C@H]1CC(O)C(=O)O1 Amb24592500 [0,0,0,1,0,0|2,0,1]=4 958 B10R1.58 C[C@H](O)[C@H]1C[C@@H](O)C(=O)O1 Amb25256354 [0,0,0,1,0,0|2,0,1]=4 959 B10R1.58 C[C@H]1O[C@H](C[C@@H]1O)C(O)=O Amb25323977 [0,0,0,1,0,0|2,0,1]=4 960 B10R1.58 NC(=O)[C@@H]1C[C@@H](F)C(=O)N1 Amb25201106 [0,0,0,1,0,0|3,0,0]=4 961 B10R1.58 NC1CC(C=C1F)C(O)=O Amb25054018 [0,0,0,1,0,0|2,0,0]=3 962 B10R1.58 NC1CC(CC1Br)C(O)=O Amb24760064 [0,0,0,1,0,0|2,0,1]=4 963 B10R1.58 NC1CC(CC1O)C(O)=O Amb25690425 [0,0,0,1,0,0|1,0,1]=3 964 B10R1.58 NC1CC(OC1=O)C(O)=O Amb25147458 [0,0,0,1,0,0|0,0,0]=1 965 B10R1.58 NC1CC(SC1=O)C(O)=O Amb25317929 [0,0,0,1,0,0|0,1,0]=2 966 B10R1.58 N[C@@H]1CC(C[C@H]1O)C(O)=O Amb23456138 [0,0,0,1,0,0|1,0,1]=3 967 B10R1.58 N[C@@H]1C[C@@H](C[C@@H]1N)C(O)=O Amb24120362 [0,0,0,1,0,0|2,0,1]=4 968 B10R1.58 N[C@H]1CC(SC1=O)C(O)=O Amb25297996 [0,0,0,1,0,0|0,1,0]=2 969 B10R1.58 N[C@H]1C[C@H](C=C1F)C(O)=O Amb24587744 [0,0,0,1,0,0|2,0,0]=3 970 B10R1.58 N[C@H]1C[C@H](C[C@@H]1F)C(O)=O Amb24568879 [0,0,0,1,0,0|2,0,1]=4 971 B10R1.58 OC(=O)C1CC(F)C(=O)N1 Amb24696741 [0,0,0,1,0,0|2,0,0]=3 972 B10R1.58 OC(=O)C1CC(O)C(=O)N1 Amb24505111 [0,0,0,1,0,0|2,0,0]=3 973 B10R1.58 OC(=O)C1CC(O)C(=O)O1 Amb18644233 [0,0,0,1,0,0|1,0,0]=2 974 B10R1.58 OC(=O)[C@@H]1CC(F)C(=O)N1 Amb25360897 [0,0,0,1,0,0|2,0,0]=3 975 B10R1.58 OC(=O)[C@@H]1C[C@@H](O)C(=O)O1 Amb24514914 [0,0,0,1,0,0|1,0,0]=2 976 B10R1.58 OC(=O)[C@@H]1C[C@H](O)C(=O)O1 Amb25230626 [0,0,0,1,0,0|1,0,0]=2 977 B10R1.58 OC(=O)[C@H]1C[C@@H](F)C(=O)N1 Amb25259244 [0,0,0,1,0,0|2,0,0]=3 978 B10R1.58 OC(=O)[C@H]1NC(=O)[C@@H](C1)F Amb10839466 [0,0,0,1,0,0|2,0,0]=3 979 B10R1.58 OC(=O)[C@H]1NC(=O)[C@H](C1)F Amb10838332 [0,0,0,1,0,0|2,0,0]=3 980 B10R1.80 CC(=O)O[C@@H]1NC(=O)[C@H]1N Amb24574869 [0,0,0,1,0,0|3,0,0]=4 981 B10R1.80 CC1C(CC(C)O)OC1=O Amb24645891 [0,0,0,1,0,0|2,0,1]=4 982 B10R1.83 CC1(C)C(N)CC1C(O)=O Amb19894984 [0,0,0,1,0,0|2,0,1]=4 983 B10R1.83 CC1(C)[C@@H](N)C[C@@H]1C(O)=O Amb24752337 [0,0,0,1,0,0|2,0,1]=4 984 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(O)=O Amb20622645 [0,0,0,1,0,0|2,0,1]=4 985 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(O)=O Amb22748944 [0,0,0,1,0,0|2,0,1]=4 986 B10R1.83 CC1(C)[C@H](N)C[C@H]1C(O)=O Amb24621219 [0,0,0,1,0,0|2,0,1]=4 987 B10R1.147 NC1CCS(=O)(=O)CC1=O Amb18199801 [0,0,0,1,0,0|2,0,1]=4 988 B10R1.190 C=C1CC1CC(N)C(O)=O Amb22730075 [0,0,0,1,0,0|2,0,0]=3 989 B10R1.190 C=C1CC1CC(N)C(O)=O Amb24117524 [0,0,0,1,0,0|2,0,0]=3 990 B10R1.190 C=C1CC1C[C@@H](N)C(O)=O Amb24640688 [0,0,0,1,0,0|2,0,0]=3 991 B10R1.190 C=C1CC1C[C@H](N)C(O)=O Amb25235396 [0,0,0,1,0,0|2,0,0]=3 992 B10R1.190 C=C1C[C@H]1C[C@H](N)C(O)=O Amb24597968 [0,0,0,1,0,0|2,0,0]=3 993 B10R1.190 CC(NC1CC1=O)C(O)=O Amb25789148 [0,0,0,1,0,0|3,0,0]=4 994 B10R1.190 CC1CC1CC(N)C(O)=O Amb25147396 [0,0,0,1,0,0|2,0,1]=4 995 B10R1.190 CC1CC1C[C@H](N)C(O)=O Amb25305763 [0,0,0,1,0,0|2,0,1]=4 996 B10R1.190 C[C@@H]1S[C@@H]1C[C@H](N)C(O)=O Amb25202932 [0,0,0,1,0,0|1,1,1]=4 997 B10R1.190 NC(CC1CC1=O)C(O)=O Amb24477414 [0,0,0,1,0,0|1,0,0]=2 998 B10R1.190 NC(CC1CC1N)C(O)=O Amb23571908 [0,0,0,1,0,0|2,0,1]=4 999 B10R1.190 N[C@@H](C[C@@H]1C[C@H]1N)C(O)=O Amb25302205 [0,0,0,1,0,0|2,0,1]=4 1000 B10R1.190 N[C@@H](C[C@H]1C[C@@H]1N)C(O)=O Amb25245233 [0,0,0,1,0,0|2,0,1]=4 1001 B10R1.190 N[C@H](C(=O)O)C[C@H]1CC1=C Amb17615983 [0,0,0,1,0,0|2,0,0]=3 1002 B10R1.205 NC(CCC1CC1)C(O)=O Amb18831582 [0,0,0,1,0,0|2,0,1]=4 1003 B10R1.205 N[C@@H](CCC1CC1)C(O)=O Amb25236249 [0,0,0,1,0,0|2,0,1]=4 1004 B10R1.211 NC(CCC(O)=O)C1CC1 Amb25824611 [0,0,0,1,0,0|2,0,1]=4 1005 B10R1.211 N[C@@H](CCC(O)=O)C1CC1 Amb24643301 [0,0,0,1,0,0|2,0,1]=4 1006 B10R1.211 N[C@H](CCC(O)=O)C1CC1 Amb24713358 [0,0,0,1,0,0|2,0,1]=4 1007 B10R1.287 CC1(C)[C@@H](N)[C@H]1CC(O)=O Amb25261513 [0,0,0,1,0,0|2,0,1]=4 1008 B10R1.332 N[C@@H]1CC[C@H](O)CNC1=O Amb25204714 [0,0,0,1,0,0|2,0,1]=4 1009 B10R1.349 CC(=O)C1CC(C1)C(O)=O Amb25113879 [0,0,0,1,0,0|2,0,0]=3 1010 B10R1.349 CC(=O)N1CC(C1)C(O)=O Amb20061395 [0,0,0,1,0,0|3,0,0]=4 1011 B10R1.349 NC(=O)C1CC(C1)C(O)=O Amb24698479 [0,0,0,1,0,0|2,0,0]=3 1012 B10R1.349 NC(=O)[C@@H]1C[C@H](C1)C(O)=O Amb24394961 [0,0,0,1,0,0|2,0,0]=3 1013 B10R1.349 NC(=O)[C@H]1C[C@H](C1)C(O)=O Amb24425563 [0,0,0,1,0,0|2,0,0]=3 1014 B10R1.349 NC(=O)[C@H]1C[C@H](N1)C(N)=O Amb24540472 [0,0,0,1,0,0|2,0,0]=3 1015 B10R1.349 OC(=O)C1CC(C1)C(O)=O Amb19958786 [0,0,0,1,0,0|1,0,0]=2 1016 B10R1.349 OC(=O)[C@@H]1C[C@H](C1)C(O)=O Amb19514892 [0,0,0,1,0,0|1,0,0]=2 1017 B10R1.359 CC1(C)CCC(N1)C(O)=O Amb22755806 [0,0,0,1,0,0|2,0,1]=4 1018 B10R1.359 CC1(O)CC(CC1)C(O)=O Amb23454111 [0,0,0,1,0,0|2,0,1]=4 1019 B10R1.359 CC1(O)CCC(N1)C(O)=O Amb25840357 [0,0,0,1,0,0|1,0,1]=3 1020 B10R1.359 CP1(=O)CC[C@H](N1)C(O)=O Amb24651009 [0,0,0,1,0,0|2,0,0]=3 1021 B10R1.359 OC(=O)C1CCC(N1)(C)C Amb17593611 [0,0,0,1,0,0|2,0,1]=4 1022 B10R1.359 OC(=O)C1CCS(=O)(=O)C1 Amb2568469 [0,0,0,1,0,0|2,0,1]=4 1023 B10R1.359 OC(=O)C1CCS(=O)(=O)N1 Amb19888363 [0,0,0,1,0,0|1,0,1]=3 1024 B10R1.359 OC(=O)C1CC[S+](=O)(C1)[O-] Amb10236346 [0,0,0,1,0,0|2,0,1]=4 1025 B10R1.359 OC(=O)C1COP(O)(=O)O1 Amb25701824 [0,0,0,1,0,0|3,0,0]=4 1026 B10R1.359 OC(=O)[C@H]1COP(O)(=O)O1 Amb24692709 [0,0,0,1,0,0|3,0,0]=4 1027 B10R1.360 CC(=O)C1(C)CC1C(O)=O Amb25771095 [0,0,0,1,0,0|2,0,0]=3 1028 B10R1.360 CC(=O)[C@@]1(C)C[C@@H]1C(C)=O Amb24512779 [0,0,0,1,0,0|3,0,0]=4 1029 B10R1.360 CC(=O)[C@]1(Br)C[C@@H]1C(O)=O Amb24648199 [0,0,0,1,0,0|2,0,0]=3 1030 B10R1.360 CC(C)C1CC1(N)C(O)=O Amb24477051 [0,0,0,1,0,0|2,0,1]=4 1031 B10R1.360 CC(C)[C@@H]1C[C@@]1(N)C(O)=O Amb23452874 [0,0,0,1,0,0|2,0,1]=4 1032 B10R1.360 CC(C)[C@@H]1C[C@]1(N)C(O)=O Amb23452873 [0,0,0,1,0,0|2,0,1]=4 1033 B10R1.360 CC(O)C1CC1(N)C(O)=O Amb24477052 [0,0,0,1,0,0|1,0,1]=3 1034 B10R1.360 CC1(CC1C(O)=O)[N+]([O-])=O Amb25103507 [0,0,0,1,0,0|2,0,1]=4 1035 B10R1.360 C[C@H](O)[C@@H]1C[C@]1(N)C(O)=O Amb24561781 [0,0,0,1,0,0|1,0,1]=3 1036 B10R1.360 C[C@]1(C[C@@H]1C(O)=O)C(O)=O Amb24598825 [0,0,0,1,0,0|1,0,0]=2 1037 B10R1.360 C[C@]1(C[C@H]1C(O)=O)C(O)=O Amb25231202 [0,0,0,1,0,0|1,0,0]=2 1038 B10R1.360 C[C@]1(O[C@@H]1C(O)=O)C(O)=O Amb25340526 [0,0,0,1,0,0|2,0,0]=3 1039 B10R1.360 NC1(CC1C(O)=O)C(O)=O Amb25124900 [0,0,0,1,0,0|0,0,0]=1 1040 B10R1.360 N[C@@]1(C[C@@H]1C(O)=O)C(O)=O Amb23452842 [0,0,0,1,0,0|0,0,0]=1 1041 B10R1.360 N[C@@]1(C[C@H]1C(O)=O)C(O)=O Amb23452828 [0,0,0,1,0,0|0,0,0]=1 1042 B10R1.360 N[C@]1(C[C@H]1C(O)=O)C(O)=O Amb24515142 [0,0,0,1,0,0|0,0,0]=1 1043 B10R1.360 OC(=O)[C@@]1(Br)C[C@@H]1C(O)=O Amb24748251 [0,0,0,1,0,0|1,0,0]=2 1044 B10R1.360 OC(=O)[C@@]1(Cl)C[C@H]1C(O)=O Amb25258365 [0,0,0,1,0,0|1,0,0]=2 1045 B10R1.360 OC(=O)[C@]1(Cl)C[C@H]1C(O)=O Amb25179268 [0,0,0,1,0,0|1,0,0]=2 1046 B10R1.368 CC(=C)C[C@H]1C[C@@H]1C(O)=O Amb25378774 [0,0,0,1,0,0|3,0,0]=4 1047 B10R1.368 CC(=O)NC1CC1C(O)=O Amb18831601 [0,0,0,1,0,0|3,0,0]=4 1048 B10R1.368 CC(=O)OC1CC1C(O)=O Amb24746709 [0,0,0,1,0,0|3,0,0]=4 1049 B10R1.368 OC(=O)CC1CC1C(O)=O Amb25111566 [0,0,0,1,0,0|1,0,0]=2 1050 B10R1.368 OC(=O)CN1CC1C(O)=O Amb24078333 [0,0,0,1,0,0|2,0,0]=3 1051 B10R1.368 OC(=O)CN1C[C@H]1C(O)=O Amb24078334 [0,0,0,1,0,0|2,0,0]=3 1052 B10R1.368 OC(=O)[C@@H]/1C\C1=C\C(O)=O Amb25827923 [0,0,0,1,0,0|1,0,2]=4 1053 B10R1.470 CC(=O)C1(C)CC(=O)CC1 Amb25146569 [0,0,0,1,0,0|3,0,0]=4 1054 B10R1.470 CC1(CC(=O)CC1)C(O)=O Amb23454199 [0,0,0,1,0,0|2,0,0]=3 1055 B10R1.470 CC1(CC(=O)NC1)C(O)=O Amb22546311 [0,0,0,1,0,0|3,0,0]=4 1056 B10R1.470 CC1(CC(O)CC1)C(O)=O Amb23454235 [0,0,0,1,0,0|2,0,1]=4 1057 B10R1.470 CC1(CCC(=C)C1)C(O)=O Amb25789474 [0,0,0,1,0,0|3,0,0]=4 1058 B10R1.470 CC1(CCC(=O)N1)C(O)=O Amb23515108 [0,0,0,1,0,0|2,0,0]=3 1059 B10R1.470 CC1(CCC(=O)O1)C(N)=O Amb25842762 [0,0,0,1,0,0|2,0,0]=3 1060 B10R1.470 CC1(CCC(O)N1)C(O)=O Amb25123888 [0,0,0,1,0,0|2,0,1]=4 1061 B10R1.470 CC1(CCC(O1)C)C(=O)O Amb17593620 [0,0,0,1,0,0|2,0,1]=4 1062 B10R1.470 CC1(CSC(=O)N1)C(O)=O Amb25780546 [0,0,0,1,0,0|3,0,0]=4 1063 B10R1.470 CC1(OC(=O)CS1)C(O)=O Amb25322035 [0,0,0,1,0,0|2,0,0]=3 1064 B10R1.470 CC=1CCC(C)(C1)C(O)=O Amb18643549 [0,0,0,1,0,0|3,0,0]=4 1065 B10R1.470 CC=1CCC(C)(N1)C(O)=O Amb24513863 [0,0,0,1,0,0|3,0,0]=4 1066 B10R1.470 CN1CC(N)(CC1)C(O)=O Amb18280237 [0,0,0,1,0,0|3,0,0]=4 1067 B10R1.470 C[C@@]1(COC(=O)N1)C(O)=O Amb25340464 [0,0,0,1,0,0|3,0,0]=4 1068 B10R1.470 C[C@H]1C[C@@](N)(CC1)C(O)=O Amb24373352 [0,0,0,1,0,0|2,0,1]=4 1069 B10R1.470 C[C@H]1C[C@](N)(CC1)C(O)=O Amb24515052 [0,0,0,1,0,0|2,0,1]=4 1070 B10R1.470 C[C@]1(CC(=O)CC1)C(O)=O Amb25693811 [0,0,0,1,0,0|2,0,0]=3 1071 B10R1.470 C[C@]1(CSC(=O)N1)C(O)=O Amb25701127 [0,0,0,1,0,0|3,0,0]=4 1072 B10R1.470 OC(=O)C1(O)COC(=O)C1 Amb25340431 [0,0,0,1,0,0|3,0,0]=4 1073 B10R1.470 OC(=O)C1(O)COC(=O)N1 Amb25786464 [0,0,0,1,0,0|3,0,0]=4 1074 B10R1.470 OC(=O)[C@@]1(O)COC(=O)C1 Amb25084490 [0,0,0,1,0,0|3,0,0]=4 1075 B10R1.470 OC(=O)[C@]1(O)COC(=O)C1 Amb25368286 [0,0,0,1,0,0|3,0,0]=4 1076 B10R1.470 OC1CC(O)(CC1)C(O)=O Amb25213061 [0,0,0,1,0,0|2,0,1]=4 1077 B10R1.470 OC1CCC(O)(O1)C(O)=O Amb25066503 [0,0,0,1,0,0|1,0,2]=4 1078 B10R1.470 O[C@@H]1CC[C@@](C1)(N)C(=O)O Amb10066916 [0,0,0,1,0,0|1,0,1]=3 1079 B10R1.470 O[C@H]1CC[C@](C1)(N)C(=O)O Amb10066913 [0,0,0,1,0,0|1,0,1]=3 1080 B8R0.23 C=C(Br)C(O)CC(O)=O Amb24648348 [0,0,0,0,1,0|3,0,0]=4 1081 B8R0.23 C=C(Br)CC(N)C(O)=O Amb24557771 [0,0,0,0,1,0|2,0,0]=3 1082 B8R0.23 C=C(Br)C[C@@H](N)C(O)=O Amb22746251 [0,0,0,0,1,0|2,0,0]=3 1083 B8R0.23 C=C(CC(=O)Cl)C(O)=O Amb25227983 [0,0,0,0,1,0|2,0,1]=4 1084 B8R0.23 C=C(CC(N)=O)C(O)=O Amb24333452 [0,0,0,0,1,0|2,0,1]=4 1085 B8R0.23 C=C(CC(O)=O)C(N)=O Amb22011744 [0,0,0,0,1,0|2,0,1]=4 1086 B8R0.23 C=C(Cl)CC(N)C(O)=O Amb24411473 [0,0,0,0,1,0|2,0,0]=3 1087 B8R0.23 C=C(F)CC(N)C(O)=O Amb24580886 [0,0,0,0,1,0|2,0,0]=3 1088 B8R0.23 C=C(I)CC(N)C(O)=O Amb25842052 [0,0,0,0,1,0|2,0,0]=3 1089 B8R0.23 CC(=C)C(C)CC(O)=O Amb18642614 [0,0,0,0,1,0|3,0,0]=4 1090 B8R0.23 CC(=C)C(N)CC(N)=O Amb24401112 [0,0,0,0,1,0|3,0,0]=4 1091 B8R0.23 CC(=C)C(O)CC(O)=O Amb18642756 [0,0,0,0,1,0|3,0,0]=4 1092 B8R0.23 CC(=C)CC(C)C(O)=O Amb24471924 [0,0,0,0,1,0|3,0,0]=4 1093 B8R0.23 CC(=C)CC(O)C(O)=O Amb24534477 [0,0,0,0,1,0|3,0,0]=4 1094 B8R0.23 CC(=C)C[C@@H](C(=O)O)C Amb10843988 [0,0,0,0,1,0|3,0,0]=4 1095 B8R0.23 CC(=C)C[C@@H](C)C(O)=O Amb24340253 [0,0,0,0,1,0|3,0,0]=4 1096 B8R0.23 CC(=C)C[C@@H](N)C(O)=O Amb22801689 [0,0,0,0,1,0|2,0,0]=3 1097 B8R0.23 CC(=C)C[C@H](N)C(O)=O Amb25757900 [0,0,0,0,1,0|2,0,0]=3 1098 B8R0.23 CC(=C)[C@@H](O)CC(O)=O Amb25789715 [0,0,0,0,1,0|3,0,0]=4 1099 B8R0.23 CC(=O)C(C)CC(O)=O Amb18292788 [0,0,0,0,1,0|2,0,0]=3 1100 B8R0.23 CC(=O)C(Cl)CC(O)=O Amb24426109 [0,0,0,0,1,0|2,0,0]=3 1101 B8R0.23 CC(=O)C(N)CC(N)=O Amb24409504 [0,0,0,0,1,0|2,0,0]=3 1102 B8R0.23 CC(=O)C(O)CC(O)=O Amb25341886 [0,0,0,0,1,0|2,0,0]=3 1103 B8R0.23 CC(=O)CC(=O)C(O)=O Amb18642736 [0,0,0,0,1,0|2,0,1]=4 1104 B8R0.23 CC(=O)CC(Br)C(O)=O Amb24710683 [0,0,0,0,1,0|2,0,0]=3 1105 B8R0.23 CC(=O)CC(C)C(O)=S Amb24061827 [0,0,0,0,1,0|2,1,0]=4 1106 B8R0.23 CC(=O)CC(N)C(O)=O Amb18832532 [0,0,0,0,1,0|1,0,0]=2 1107 B8R0.23 CC(=O)CC(N)C(O)=O Amb22546289 [0,0,0,0,1,0|1,0,0]=2 1108 B8R0.23 CC(=O)CC(O)C(O)=O Amb22500917 [0,0,0,0,1,0|2,0,0]=3 1109 B8R0.23 CC(=O)C[C@@H](C)C(O)=O Amb24369598 [0,0,0,0,1,0|2,0,0]=3 1110 B8R0.23 CC(=O)C[C@@H](N)C(O)=O Amb22745939 [0,0,0,0,1,0|1,0,0]=2 1111 B8R0.23 CC(=O)C[C@H](O)C(O)=O Amb24358758 [0,0,0,0,1,0|2,0,0]=3 1112 B8R0.23 CC(=O)NC(C(=O)N)N Amb10558230 [0,0,0,0,1,0|3,0,0]=4 1113 B8R0.23 CC(=O)NC(O)C(O)=O Amb25146184 [0,0,0,0,1,0|3,0,0]=4 1114 B8R0.23 CC(=O)N[C@H](C)C(O)=O Amb19944277 [0,0,0,0,1,0|3,0,0]=4 1115 B8R0.23 CC(=O)OC(C)C(O)=O Amb22360672 [0,0,0,0,1,0|3,0,0]=4 1116 B8R0.23 CC(=O)SC(C)C(O)=O Amb25719066 [0,0,0,0,1,0|3,0,0]=4 1117 B8R0.23 CC(=O)[C@@H](C)CC(O)=O Amb25145964 [0,0,0,0,1,0|2,0,0]=3 1118 B8R0.23 CC(=O)[C@@H](N)CC(O)=O Amb25064775 [0,0,0,0,1,0|1,0,0]=2 1119 B8R0.23 CC(=O)[C@H](C)CC(O)=O Amb25360184 [0,0,0,0,1,0|2,0,0]=3 1120 B8R0.23 CC(=S)CC(C)C(O)=O Amb24588975 [0,0,0,0,1,0|2,1,0]=4 1121 B8R0.23 CC(C)=C[C@H](N)C(O)=O Amb24629144 [0,0,0,0,1,0|2,0,1]=4 1122 B8R0.23 CC(C)CC(N)C(O)=O Amb22001061 [0,0,0,0,1,0|2,0,1]=4 1123 B8R0.23 CC(C)CC(N)[13C](O)=O Amb22363198 [0,0,0,0,1,0|2,0,1]=4 1124 B8R0.23 CC(C)CC([15NH2])C(O)=O Amb22351200 [0,0,0,0,1,0|2,0,1]=4 1125 B8R0.23 CC(C)C[13CH](N)C(O)=O Amb22351309 [0,0,0,0,1,0|2,0,1]=4 1126 B8R0.23 CC(C)C[13CH](N)[13C](O)=O Amb22367336 [0,0,0,0,1,0|2,0,1]=4 1127 B8R0.23 CC(C)C[C@@H]([15NH2])C(O)=O Amb22801141 [0,0,0,0,1,0|2,0,1]=4 1128 B8R0.23 CC(C)C[C@H](N)C(O)=O Amb22351113 [0,0,0,0,1,0|2,0,1]=4 1129 B8R0.23 CC(C)[C@@H](N)CC(O)=O Amb22226647 [0,0,0,0,1,0|2,0,1]=4 1130 B8R0.23 CC(C)[C@H](N)CC(O)=O Amb20240790 [0,0,0,0,1,0|2,0,1]=4 1131 B8R0.23 CC(CC(=O)Cl)C(=O)Cl Amb22167294 [0,0,0,0,1,0|3,0,0]=4 1132 B8R0.23 CC(CC(O)=O)=P(O)=O Amb25264110 [0,0,0,0,1,0|2,0,1]=4 1133 B8R0.23 CC(CC(O)=O)C(N)=O Amb25737942 [0,0,0,0,1,0|2,0,0]=3 1134 B8R0.23 CC(CC(O)=O)S(C)=O Amb18974545 [0,0,0,0,1,0|3,0,0]=4 1135 B8R0.23 CC(CN(C)O)C(O)=O Amb24540617 [0,0,0,0,1,0|3,0,0]=4 1136 B8R0.23 CC(CS(C)=O)C(O)=O Amb18974546 [0,0,0,0,1,0|3,0,0]=4 1137 B8R0.23 CC(F)CC(N)C(O)=O Amb25803619 [0,0,0,0,1,0|2,0,1]=4 1138 B8R0.23 CC(O)C(C)CC(O)=O Amb18293276 [0,0,0,0,1,0|2,0,1]=4 1139 B8R0.23 CC(O)CC(C)C(O)=O Amb18293277 [0,0,0,0,1,0|2,0,1]=4 1140 B8R0.23 CC(O)CC(N)C(O)=O Amb18642918 [0,0,0,0,1,0|1,0,1]=3 1141 B8R0.23 CN(C)CC(N)C(O)=O Amb22352274 [0,0,0,0,1,0|3,0,0]=4 1142 B8R0.23 CN(C)CC(N)C(O)=O Amb23558085 [0,0,0,0,1,0|3,0,0]=4 1143 B8R0.23 CN(C)C[C@@H](N)C(O)=O Amb19889770 [0,0,0,0,1,0|3,0,0]=4 1144 B8R0.23 CN(C)C[C@@H](N)C(O)=O Amb22800468 [0,0,0,0,1,0|3,0,0]=4 1145 B8R0.23 CN(C)C[C@H](N)C(O)=O Amb24078627 [0,0,0,0,1,0|3,0,0]=4 1146 B8R0.23 CS(=N)CC(N)C(O)=O Amb24374643 [0,0,0,0,1,0|3,0,0]=4 1147 B8R0.23 CS(=O)CC(N)C(O)=O Amb18125279 [0,0,0,0,1,0|2,0,0]=3 1148 B8R0.23 CS(=O)CC(O)C(O)=O Amb24692848 [0,0,0,0,1,0|3,0,0]=4 1149 B8R0.23 CS(=O)C[C@@H](C(=O)O)N Amb16232229 [0,0,0,0,1,0|2,0,0]=3 1150 B8R0.23 CS(=O)C[C@@H](N)C(O)=O Amb22745418 [0,0,0,0,1,0|2,0,0]=3 1151 B8R0.23 C[C@@H](CC(O)=O)C(O)=O Amb22226742 [0,0,0,0,1,0|1,0,0]=2 1152 B8R0.23 C[C@@H](O)C[C@H](N)C(O)=O Amb25162814 [0,0,0,0,1,0|1,0,1]=3 1153 B8R0.23 C[C@@H](O)[C@@H](O)CC(O)=O Amb25267600 [0,0,0,0,1,0|2,0,1]=4 1154 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O Amb22168848 [0,0,0,0,1,0|1,0,1]=3 1155 B8R0.23 C[C@@H](O)[C@H](N)CC(O)=O Amb22756696 [0,0,0,0,1,0|1,0,1]=3 1156 B8R0.23 C[C@H](CC(N)=O)C(N)=O Amb25126983 [0,0,0,0,1,0|3,0,0]=4 1157 B8R0.23 C[C@H](CC(N)=O)C(O)=O Amb25077589 [0,0,0,0,1,0|2,0,0]=3 1158 B8R0.23 C[C@H](CC(O)=O)C(O)=O Amb22225399 [0,0,0,0,1,0|1,0,0]=2 1159 B8R0.23 C[C@H](Cl)C[C@H](N)C(O)=O Amb25849347 [0,0,0,0,1,0|2,0,1]=4 1160 B8R0.23 C[C@H](O)C[C@@H](C)C(O)=O Amb25114249 [0,0,0,0,1,0|2,0,1]=4 1161 B8R0.23 C[C@H](O)C[C@H](N)C(O)=O Amb24461394 [0,0,0,0,1,0|1,0,1]=3 1162 B8R0.23 C[C@H](OC(N)=O)C(O)=O Amb24427686 [0,0,0,0,1,0|3,0,0]=4 1163 B8R0.23 NC(=O)C(Br)CC(N)=O Amb24373945 [0,0,0,0,1,0|3,0,0]=4 1164 B8R0.23 NC(=O)C(N)CC(N)=O Amb18289248 [0,0,0,0,1,0|2,0,0]=3 1165 B8R0.23 NC(=O)C(N)CC(O)=O Amb18124347 [0,0,0,0,1,0|1,0,0]=2 1166 B8R0.23 NC(=O)C(O)CC(O)=O Amb25378786 [0,0,0,0,1,0|2,0,0]=3 1167 B8R0.23 NC(=O)CC(=O)C(O)=O Amb25146116 [0,0,0,0,1,0|2,0,1]=4 1168 B8R0.23 NC(=O)C[C@@H](C(=O)N)N Amb16183882 [0,0,0,0,1,0|2,0,0]=3 1169 B8R0.23 NC(=O)C[C@@H](C(=O)O)C Amb10843937 [0,0,0,0,1,0|2,0,0]=3 1170 B8R0.23 NC(=O)C[C@@H](O)C(O)=O Amb24681022 [0,0,0,0,1,0|2,0,0]=3 1171 B8R0.23 NC(=O)C[C@H](Br)C(O)=O Amb25137878 [0,0,0,0,1,0|2,0,0]=3 1172 B8R0.23 NC(=O)C[C@H](C(=O)O)N Amb10071271 [0,0,0,0,1,0|1,0,0]=2 1173 B8R0.23 NC(=O)C[C@H](Cl)C(O)=O Amb24479999 [0,0,0,0,1,0|2,0,0]=3 1174 B8R0.23 NC(=O)C[C@H]([15NH2])C(O)=O Amb22338491 [0,0,0,0,1,0|1,0,0]=2 1175 B8R0.23 NC(=O)NC(N)C(O)=O Amb24418886 [0,0,0,0,1,0|2,0,0]=3 1176 B8R0.23 NC(=O)NC(O)C(O)=O Amb22350130 [0,0,0,0,1,0|3,0,0]=4 1177 B8R0.23 NC(=O)NC(O)C(O)=O Amb24592607 [0,0,0,0,1,0|3,0,0]=4 1178 B8R0.23 NC(=O)[C@@H](N)CC(N)=O Amb22801077 [0,0,0,0,1,0|2,0,0]=3 1179 B8R0.23 NC(=O)[C@@H](N)CC(O)=O Amb19334954 [0,0,0,0,1,0|1,0,0]=2 1180 B8R0.23 NC(=O)[C@@H](O)CC(N)=O Amb24435465 [0,0,0,0,1,0|3,0,0]=4 1181 B8R0.23 NC(=O)[C@H](Br)CC(N)=O Amb24480049 [0,0,0,0,1,0|3,0,0]=4 1182 B8R0.23 NC(=S)CC(N)C(O)=O Amb24728838 [0,0,0,0,1,0|1,1,0]=3 1183 B8R0.23 NC(=S)N(N)CC(O)=O Amb24744103 [0,0,0,0,1,0|2,1,0]=4 1184 B8R0.23 NC(C(=O)O)CC(F)F Amb13952714 [0,0,0,0,1,0|2,0,1]=4 1185 B8R0.23 NC(C(=O)O)CC(F)F Amb13952720 [0,0,0,0,1,0|2,0,1]=4 1186 B8R0.23 NC(C(C)C)CC(=O)O Amb2436060 [0,0,0,0,1,0|2,0,1]=4 1187 B8R0.23 NC(C=C(Cl)Cl)C(O)=O Amb22350718 [0,0,0,0,1,0|2,0,1]=4 1188 B8R0.23 NC(CC(F)Cl)C(O)=O Amb24339513 [0,0,0,0,1,0|2,0,1]=4 1189 B8R0.23 NC(CC(O)=O)C(F)F Amb23570587 [0,0,0,0,1,0|2,0,1]=4 1190 B8R0.23 NC(CC(O)=O)C(O)=O Amb22730002 [0,0,0,0,1,0|0,0,0]=1 1191 B8R0.23 NC(CC(O)=O)C([O-])=O Amb20241398 [0,0,0,0,1,0|0,0,1]=2 1192 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22167994 [0,0,0,0,1,0|0,0,1]=2 1193 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22330537 [0,0,0,0,1,0|0,0,1]=2 1194 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22337568 [0,0,0,0,1,0|0,0,1]=2 1195 B8R0.23 NC(CC(O)=O)C([O-])=O Amb22349433 [0,0,0,0,1,0|0,0,1]=2 1196 B8R0.23 NC(CC(O)=O)[13C](O)=O Amb22351321 [0,0,0,0,1,0|0,0,0]=1 1197 B8R0.23 NC(CC([O-])=O)C(O)=O Amb22731484 [0,0,0,0,1,0|0,0,1]=2 1198 B8R0.23 NC(CC([O-])=O)C([O-])=O Amb22168247 [0,0,0,0,1,0|0,0,2]=3 1199 B8R0.23 NC(CN(S)S)C(O)=O Amb24655070 [0,0,0,0,1,0|1,2,0]=4 1200 B8R0.23 NC(CS(=O)=O)C(O)=O Amb24480078 [0,0,0,0,1,0|1,0,1]=3 1201 B8R0.23 NC(CS(N)=O)C(O)=O Amb25139436 [0,0,0,0,1,0|2,0,0]=3 1202 B8R0.23 NC(CS(O)=O)C(O)=O Amb21913242 [0,0,0,0,1,0|1,0,0]=2 1203 B8R0.23 NC(C[13C](O)=O)C(O)=O Amb22362630 [0,0,0,0,1,0|0,0,0]=1 1204 B8R0.23 NC(C[13C](O)=O)[13C](O)=O Amb22353605 [0,0,0,0,1,0|0,0,0]=1 1205 B8R0.23 NC(C[N+]([O-])=O)C(O)=O Amb24642660 [0,0,0,0,1,0|1,0,1]=3 1206 B8R0.23 NC([13CH2]C(O)=O)C(O)=O Amb22336729 [0,0,0,0,1,0|0,0,0]=1 1207 B8R0.23 N[13C@@H](CC(O)=O)[13C](O)=O Amb22353606 [0,0,0,0,1,0|0,0,0]=1 1208 B8R0.23 N[13C](=O)[13CH2][13C@H](N)[13C](O)=O Amb22367522 [0,0,0,0,1,0|1,0,0]=2 1209 B8R0.23 N[C@@H](C(C)C)CC(=O)O Amb16184024 [0,0,0,0,1,0|2,0,1]=4 1210 B8R0.23 N[C@@H](CB(O)O)C(O)=O Amb25844412 [0,0,0,0,1,0|1,0,1]=3 1211 B8R0.23 N[C@@H](CC(Cl)Cl)C(O)=O Amb24746791 [0,0,0,0,1,0|2,0,1]=4 1212 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb20241378 [0,0,0,0,1,0|0,0,1]=2 1213 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22337725 [0,0,0,0,1,0|0,0,1]=2 1214 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22352336 [0,0,0,0,1,0|0,0,1]=2 1215 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22748705 [0,0,0,0,1,0|0,0,1]=2 1216 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O Amb22801032 [0,0,0,0,1,0|0,0,1]=2 1217 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb20240565 [0,0,0,0,1,0|0,0,1]=2 1218 B8R0.23 N[C@@H](CC([O-])=O)C(O)=O Amb22748769 [0,0,0,0,1,0|0,0,1]=2 1219 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb17772217 [0,0,0,0,1,0|0,0,2]=3 1220 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb17912733 [0,0,0,0,1,0|0,0,2]=3 1221 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb22750690 [0,0,0,0,1,0|0,0,2]=3 1222 B8R0.23 N[C@@H](CC([O-])=O)C([O-])=O Amb22757383 [0,0,0,0,1,0|0,0,2]=3 1223 B8R0.23 N[C@@H](C[13C](N)=O)C(O)=O Amb22353613 [0,0,0,0,1,0|1,0,0]=2 1224 B8R0.23 N[C@@H](C[N+]([O-])=O)C(O)=O Amb25710255 [0,0,0,0,1,0|1,0,1]=3 1225 B8R0.23 N[C@@H]([13CH2][13C](O)=O)C(O)=O Amb22367550 [0,0,0,0,1,0|0,0,0]=1 1226 B8R0.23 N[C@H](C(C)C)CC(=O)O Amb16184030 [0,0,0,0,1,0|2,0,1]=4 1227 B8R0.23 N[C@H](CC(F)F)C(O)=O Amb25117310 [0,0,0,0,1,0|2,0,1]=4 1228 B8R0.23 N[C@H](CC(N)=O)C(O)=O Amb17749060 [0,0,0,0,1,0|1,0,0]=2 1229 B8R0.23 N[C@H](CC(O)=O)P(O)=O Amb25838846 [0,0,0,0,1,0|1,0,0]=2 1230 B8R0.23 N[C@H](CN(S)S)C(O)=O Amb24564540 [0,0,0,0,1,0|1,2,0]=4 1231 B8R0.23 N[C@H](CS(O)=O)C(O)=O Amb24366002 [0,0,0,0,1,0|1,0,0]=2 1232 B8R0.23 O=C(Cl)[C@H](Cl)CC(=O)Cl Amb24710716 [0,0,0,0,1,0|3,0,0]=4 1233 B8R0.23 OC(=O)C(=S)CC(O)=O Amb25304511 [0,0,0,0,1,0|1,0,1]=3 1234 B8R0.23 OC(=O)C(Cl)CS(O)=O Amb25708099 [0,0,0,0,1,0|2,0,0]=3 1235 B8R0.23 OC(=O)C(F)CC(O)=O Amb25077170 [0,0,0,0,1,0|1,0,0]=2 1236 B8R0.23 OC(=O)C(O)CC(=O)S Amb25690206 [0,0,0,0,1,0|1,1,0]=3 1237 B8R0.23 OC(=O)C(O)CC(O)=O Amb21935660 [0,0,0,0,1,0|1,0,0]=2 1238 B8R0.23 OC(=O)C(S)CC(O)=O Amb22729564 [0,0,0,0,1,0|1,0,0]=2 1239 B8R0.23 OC(=O)CC(=O)C(=O)C Amb17593364 [0,0,0,0,1,0|2,0,1]=4 1240 B8R0.23 OC(=O)CC(C(=O)O)C Amb1935053 [0,0,0,0,1,0|1,0,0]=2 1241 B8R0.23 OC(=O)CC(O)C(=O)Cl Amb25700438 [0,0,0,0,1,0|2,0,0]=3 1242 B8R0.23 OC(=O)CC(O)C(O)=O Amb22734584 [0,0,0,0,1,0|1,0,0]=2 1243 B8R0.23 OC(=O)CC([N+](=O)[O-])O Amb2222216 [0,0,0,0,1,0|2,0,1]=4 1244 B8R0.23 OC(=O)CN(C(=O)C)C Amb1111693 [0,0,0,0,1,0|3,0,0]=4 1245 B8R0.23 OC(=O)CN(C(=O)N)C Amb2371395 [0,0,0,0,1,0|3,0,0]=4 1246 B8R0.23 OC(=O)C[C@@H](C(=O)O)N Amb16232085 [0,0,0,0,1,0|0,0,0]=1 1247 B8R0.23 OC(=O)C[C@@H]([C@@H](O)C)N Amb16184021 [0,0,0,0,1,0|1,0,1]=3 1248 B8R0.23 OC(=O)[13CH](O)CC(O)=O Amb22367337 [0,0,0,0,1,0|1,0,0]=2 1249 B8R0.23 OC(=O)[C@@H](Cl)CC(O)=O Amb20242425 [0,0,0,0,1,0|1,0,0]=2 1250 B8R0.23 OC(=O)[C@@H](S)CC(O)=O Amb22504526 [0,0,0,0,1,0|1,0,0]=2 1251 B8R0.23 OC(=O)[C@H](Br)CC(O)=O Amb22504149 [0,0,0,0,1,0|1,0,0]=2 1252 B8R0.23 OC(=O)[C@H](Cl)CC(O)=O Amb20242424 [0,0,0,0,1,0|1,0,0]=2 1253 B8R0.23 OC(=O)[C@H](S)CC(O)=O Amb25124090 [0,0,0,0,1,0|1,0,0]=2 1254 B8R0.23 OC(=O)\C(\Br)=C/C(O)=O Amb25746120 [0,0,0,0,1,0|1,0,2]=4 1255 B8R0.23 OC(=O)\C(\Cl)=C/C(O)=O Amb24481892 [0,0,0,0,1,0|1,0,2]=4 1256 B8R0.23 OC(=O)\C(\F)=C/C(O)=O Amb18124397 [0,0,0,0,1,0|1,0,2]=4 1257 B8R0.23 OC(=O)\C(\I)=C/C(O)=O Amb25736420 [0,0,0,0,1,0|1,0,2]=4 1258 B8R0.23 OC(CC(=O)Cl)C(=O)Cl Amb25680528 [0,0,0,0,1,0|3,0,0]=4 1259 B8R0.23 OC(O)C[C@@H](O)C(O)=O Amb24524214 [0,0,0,0,1,0|1,0,2]=4 1260 B8R0.23 O[13C](=O)[13CH2][13CH]([13C](=O)O)O Amb17616665 [0,0,0,0,1,0|1,0,0]=2 1261 B8R0.23 O[C@@H](CC(=O)Cl)C(=O)Cl Amb25832731 [0,0,0,0,1,0|3,0,0]=4 1262 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337118 [0,0,0,0,1,0|2,0,1]=4 1263 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22337484 [0,0,0,0,1,0|1,0,0]=2 1264 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(O)=O Amb22351412 [0,0,0,0,1,0|1,0,0]=2 1265 B8R0.23 [15NH2]C(CC(O)=O)C(O)=O Amb22731529 [0,0,0,0,1,0|0,0,0]=1 1266 B8R0.23 [15NH2][13C@@H]([13CH2][13C](O)=O)[13C](O)=O Amb22353584 [0,0,0,0,1,0|0,0,0]=1 1267 B8R0.23 [15NH2][13CH](CC(O)=O)C(O)=O Amb22351286 [0,0,0,0,1,0|0,0,0]=1 1268 B8R0.23 [15NH2][13C](=O)[13CH2][13C@H]([15NH2])[13C](O)=O Amb22337495 [0,0,0,0,1,0|1,0,0]=2 1269 B8R0.23 [15NH2][C@@H](CC(O)=O)[13C](O)=O Amb22367524 [0,0,0,0,1,0|0,0,0]=1 1270 B8R0.23 [O-]C(=O)C(O)CC([O-])=O Amb22230371 [0,0,0,0,1,0|1,0,2]=4 1271 B8R0.23 [O-]C(=O)C([S-])CC([O-])=O Amb22337769 [0,0,0,0,1,0|1,0,2]=4 1272 B8R0.23 [O-]C(=O)CC(O)C(O)=O Amb22734911 [0,0,0,0,1,0|1,0,1]=3 1273 B8R0.23 [O-]C(=O)[C@@H](O)CC([O-])=O Amb22351833 [0,0,0,0,1,0|1,0,2]=4 1274 B8R0.23 [O-]C(=O)[C@@H](O)CC([O-])=O Amb22801345 [0,0,0,0,1,0|1,0,2]=4 1275 B10R0.96 CC(=CC(O)=O)SCC(O)=O Amb25384901 [0,0,0,0,0,1|2,0,1]=4 1276 B10R0.96 CC(=O)CCC(C)NC(C)=O Amb25385797 [0,0,0,0,0,1|3,0,0]=4 1277 B10R0.96 CC(=O)NCC(C)CC(O)=O Amb25385229 [0,0,0,0,0,1|3,0,0]=4 1278 B10R0.96 CC(=O)NC[C@H](C)CC(O)=O Amb25384945 [0,0,0,0,0,1|3,0,0]=4 1279 B10R0.96 CC(=O)NN(C)CCC(O)=O Amb24764551 [0,0,0,0,0,1|3,0,0]=4 1280 B10R0.96 CC(C)=CC(O)CCC(O)=O Amb25384601 [0,0,0,0,0,1|3,0,0]=4 1281 B10R0.96 CC(C)=C[C@H](C)CCC(O)=O Amb25386227 [0,0,0,0,0,1|3,0,0]=4 1282 B10R0.96 CC(CC(O)=O)=NCC(O)=O Amb25385177 [0,0,0,0,0,1|2,0,1]=4 1283 B10R0.96 CC(CC(O)=O)CNC(N)=O Amb24755267 [0,0,0,0,0,1|3,0,0]=4 1284 B10R0.96 CC(O)=CC(=O)CCC(O)=O Amb25386411 [0,0,0,0,0,1|2,0,1]=4 1285 B10R0.96 NC(=O)CC[C@@H](N)CC(O)=O Amb22746285 [0,0,0,0,0,1|1,0,0]=2 1286 B10R0.96 NC(=O)CC[C@H](N)CC(O)=O Amb22348459 [0,0,0,0,0,1|1,0,0]=2 1287 B10R0.96 NC(CC(O)=O)CCC(O)=O Amb22552564 [0,0,0,0,0,1|0,0,0]=1 1288 B10R0.96 N[C@@H](CC(O)=O)CCC(O)=O Amb22750585 [0,0,0,0,0,1|0,0,0]=1 1289 B10R0.96 OC(=O)CCC(=O)CC(=O)C Amb10843902 [0,0,0,0,0,1|2,0,1]=4 1290 B10R0.96 OC(=O)CCC(=O)CC(O)=O Amb17689277 [0,0,0,0,0,1|1,0,1]=3 1291 B10R0.96 OC(=O)CC[C@@H](CC(=O)O)N Amb16232070 [0,0,0,0,0,1|0,0,0]=1 1292 B10R0.96 OC(=O)CNC(=O)CC(O)=O Amb18800491 [0,0,0,0,0,1|2,0,1]=4 1293 B10R0.96 OC(=O)C[13CH2][13C](=O)[13CH2][13C](=O)[13CH3] Amb17620214 [0,0,0,0,0,1|2,0,1]=4 1294 B10R0.96 OC(CC(O)=O)CCC(O)=O Amb22727761 [0,0,0,0,0,1|1,0,0]=2 1295 B10R0.96 [13C](=C[C@H](CCC(=O)O)N)([2H])[2H] Amb17621249 [0,0,0,0,0,1|2,0,0]=3 1296 B10R0.98 CC(=NOCC(O)=O)C(O)=O Amb25384896 [0,0,0,0,0,1|2,0,1]=4 1297 B10R0.98 CC(=O)CC\C=C(/C)\C(O)=O Amb18125973 [0,0,0,0,0,1|2,0,1]=4 1298 B10R0.98 CC(=O)NCCC(N)C(O)=O Amb25385160 [0,0,0,0,0,1|1,0,0]=2 1299 B10R0.98 CC(=O)NCC[C@@H](C)C(O)=O Amb25384439 [0,0,0,0,0,1|2,0,0]=3 1300 B10R0.98 CC(=O)NCC[C@H](C)C(O)=O Amb25384440 [0,0,0,0,0,1|2,0,0]=3 1301 B10R0.98 CC(=O)NOCC(N)C(O)=O Amb25385232 [0,0,0,0,0,1|2,0,0]=3 1302 B10R0.98 CC(=O)NSCC(C)C(O)=O Amb21929061 [0,0,0,0,0,1|3,0,0]=4 1303 B10R0.98 CC(=O)OCCC(C(=O)C)Cl Amb16234124 [0,0,0,0,0,1|3,0,0]=4 1304 B10R0.98 CC(=O)OCC[C@@H](N)C(O)=O Amb19130288 [0,0,0,0,0,1|1,0,0]=2 1305 B10R0.98 CC(C)=C=CCC(N)C(O)=O Amb24710300 [0,0,0,0,0,1|2,0,1]=4 1306 B10R0.98 CC(C)=CCCC(C)C(O)=O Amb18644857 [0,0,0,0,0,1|3,0,0]=4 1307 B10R0.98 CC(C)=CCCC(O)C(O)=O Amb24762777 [0,0,0,0,0,1|3,0,0]=4 1308 B10R0.98 CC(C)=CCC[C@@H](C)C(O)=O Amb25385187 [0,0,0,0,0,1|3,0,0]=4 1309 B10R0.98 CC(C)=CCC[C@H](C)C(O)=O Amb25384978 [0,0,0,0,0,1|3,0,0]=4 1310 B10R0.98 CC(C)=CCC[C@H](N)C(O)=O Amb25383796 [0,0,0,0,0,1|2,0,0]=3 1311 B10R0.98 CC(C)=CSCC(N)C(O)=O Amb25386034 [0,0,0,0,0,1|2,0,1]=4 1312 B10R0.98 CC(C)CCC[C@@H](N)C(O)=O Amb22745714 [0,0,0,0,0,1|2,0,1]=4 1313 B10R0.98 CC(CCCC(=O)Cl)C(=O)Cl Amb22230918 [0,0,0,0,0,1|3,0,0]=4 1314 B10R0.98 CC(CCCC(O)=O)C(O)=O Amb18645273 [0,0,0,0,0,1|1,0,0]=2 1315 B10R0.98 CC(NCCC(O)=O)C(O)=O Amb18098310 [0,0,0,0,0,1|1,0,0]=2 1316 B10R0.98 CC(S\C=C\C(O)=O)C(O)=O Amb18647961 [0,0,0,0,0,1|1,0,2]=4 1317 B10R0.98 C\C(=C/CCC(O)=O)\C(O)=O Amb25385138 [0,0,0,0,0,1|1,0,1]=3 1318 B10R0.98 NC(=N)NCCC(C(=O)O)N Amb16233058 [0,0,0,0,0,1|2,0,0]=3 1319 B10R0.98 NC(=N)NCC[C@@H](N)C(O)=O Amb22745595 [0,0,0,0,0,1|2,0,0]=3 1320 B10R0.98 NC(=N)NCC[C@H](N)C(O)=O Amb20240584 [0,0,0,0,0,1|2,0,0]=3 1321 B10R0.98 NC(=N)NOC[C@H](N)C(O)=O Amb25383805 [0,0,0,0,0,1|3,0,0]=4 1322 B10R0.98 NC(=O)CCCC(C(=O)O)N Amb17614984 [0,0,0,0,0,1|1,0,0]=2 1323 B10R0.98 NC(=O)NCCC(N)C(O)=O Amb25386183 [0,0,0,0,0,1|1,0,0]=2 1324 B10R0.98 NC(=O)NCCC(S)C(O)=O Amb25385685 [0,0,0,0,0,1|2,0,0]=3 1325 B10R0.98 NC(=O)NCC[C@@H](N)C(O)=O Amb25385246 [0,0,0,0,0,1|1,0,0]=2 1326 B10R0.98 NC(=O)NCC[C@H](N)C(O)=O Amb25386286 [0,0,0,0,0,1|1,0,0]=2 1327 B10R0.98 NC(=O)NCC[C@H](S)C(O)=O Amb25385201 [0,0,0,0,0,1|2,0,0]=3 1328 B10R0.98 NC(CCCC(O)=O)C(O)=O Amb22740152 [0,0,0,0,0,1|0,0,0]=1 1329 B10R0.98 NC(CCCC([O-])=O)C([O-])=O Amb22053651 [0,0,0,0,0,1|0,0,2]=3 1330 B10R0.98 NC(CSCC(O)=O)C(O)=O Amb23566716 [0,0,0,0,0,1|0,0,0]=1 1331 B10R0.98 NC(C\C=C\C(O)=O)C(O)=O Amb18126177 [0,0,0,0,0,1|0,0,1]=2 1332 B10R0.98 NC(N)=NCCC(N)C(O)=O Amb22492813 [0,0,0,0,0,1|2,0,0]=3 1333 B10R0.98 NC(N=NCC(O)=O)C(O)=O Amb25384237 [0,0,0,0,0,1|1,0,0]=2 1334 B10R0.98 NC(\N=N/CC(O)=O)C(O)=O Amb25383166 [0,0,0,0,0,1|1,0,0]=2 1335 B10R0.98 N[C@@H](CSC=C(Cl)Cl)C(O)=O Amb25384396 [0,0,0,0,0,1|2,0,1]=4 1336 B10R0.98 N[C@@H](C\C=C\B(O)O)C(O)=O Amb25384261 [0,0,0,0,0,1|1,0,2]=4 1337 B10R0.98 N[C@@H](C\C=C\C(O)=O)C(O)=O Amb24763009 [0,0,0,0,0,1|0,0,1]=2 1338 B10R0.98 N[C@H](CSCC(O)=O)C(O)=O Amb22745445 [0,0,0,0,0,1|0,0,0]=1 1339 B10R0.98 N[C@H](C\C=C\C(O)=O)C(O)=O Amb25383155 [0,0,0,0,0,1|0,0,1]=2 1340 B10R0.98 OC(=O)C(=O)C\C=C\C(O)=O Amb24766946 [0,0,0,0,0,1|1,0,2]=4 1341 B10R0.98 OC(=O)C(Cl)CCC=C(Cl)Cl Amb25384501 [0,0,0,0,0,1|3,0,0]=4 1342 B10R0.98 OC(=O)C(O)\C=C\CC(O)=O Amb25383439 [0,0,0,0,0,1|1,0,1]=3 1343 B10R0.98 OC(=O)CCCC(O)C(O)=O Amb21963897 [0,0,0,0,0,1|1,0,0]=2 1344 B10R0.98 OC(=O)CCC[C@H](O)C(O)=O Amb22270000 [0,0,0,0,0,1|1,0,0]=2 1345 B10R0.98 OC(=O)CCSC(C(=O)O)C Amb17501234 [0,0,0,0,0,1|1,0,0]=2 1346 B10R0.98 OC(=O)CONC(=O)C(=O)O Amb16185780 [0,0,0,0,0,1|2,0,1]=4 1347 B10R0.98 OC(=O)CSC[C@@H](C(=O)O)N Amb16232500 [0,0,0,0,0,1|0,0,0]=1 1348 B10R0.98 OC(=O)\C(\O)=C/SCC(O)=O Amb25386410 [0,0,0,0,0,1|1,0,2]=4 1349 B10R0.98 [O-]C(=O)CCCC(O)C([O-])=O Amb22284811 [0,0,0,0,0,1|1,0,2]=4 1350 B7R0.3 C#CCCC(N)C=O Amb25233211 [2,0,0,0,0,0|1,0,1]=4 1351 B7R0.3 C=CC(O)CCC=O Amb24573986 [2,0,0,0,0,0|2,0,0]=4 1352 B7R0.3 C=CCCC(N)C=C Amb22284783 [2,0,0,0,0,0|2,0,0]=4 1353 B7R0.3 C=CCCC(N)CO Amb25083009 [2,0,0,0,0,0|1,0,1]=4 1354 B7R0.3 CC(CCC=C)C=O Amb25100921 [2,0,0,0,0,0|2,0,0]=4 1355 B7R0.3 CC(CCC=O)C=C Amb18641704 [2,0,0,0,0,0|2,0,0]=4 1356 B7R0.3 CC(CCCO)C=O Amb24690170 [2,0,0,0,0,0|1,0,1]=4 1357 B7R0.3 CC(CO)CCC=O Amb25693017 [2,0,0,0,0,0|1,0,1]=4 1358 B7R0.3 CSCCC(N)C=O Amb25367403 [2,0,0,0,0,0|2,0,0]=4 1359 B7R0.3 C[C@@H](CCC=O)C=C Amb25025116 [2,0,0,0,0,0|2,0,0]=4 1360 B7R0.3 C[C@@H](CO)CCC=O Amb24602985 [2,0,0,0,0,0|1,0,1]=4 1361 B7R0.3 C[C@H](CCC=C)C=O Amb25790613 [2,0,0,0,0,0|2,0,0]=4 1362 B7R0.3 C[C@H](CCC=O)C=C Amb25810817 [2,0,0,0,0,0|2,0,0]=4 1363 B7R0.3 C[C@H](CCC=O)C=O Amb24707164 [2,0,0,0,0,0|1,0,0]=3 1364 B7R0.3 NC(CCCO)CO Amb18641979 [2,0,0,0,0,0|0,0,2]=4 1365 B7R0.3 NCCCC(N)C=O Amb24653292 [2,0,0,0,0,0|1,0,1]=4 1366 B7R0.3 N[C@@H](CCCO)CO Amb24117047 [2,0,0,0,0,0|0,0,2]=4 1367 B7R0.3 O=CCCC(=O)C=O Amb25024665 [2,0,0,0,0,0|1,0,1]=4 1368 B7R0.3 OCC(O)CCC=O Amb24669095 [2,0,0,0,0,0|1,0,1]=4 1369 B7R0.3 OCCCC(Br)C=O Amb25765431 [2,0,0,0,0,0|1,0,1]=4 1370 B7R0.3 OCCCC(F)C=O Amb24553890 [2,0,0,0,0,0|1,0,1]=4 1371 B7R0.3 OCCCC(O)C=O Amb18641948 [2,0,0,0,0,0|1,0,1]=4 1372 B7R0.3 OCCC[C@H](O)C=O Amb24570447 [2,0,0,0,0,0|1,0,1]=4 1373 B7R0.3 OC[C@@H](O)CCC=O Amb24482301 [2,0,0,0,0,0|1,0,1]=4 1374 B7R0.3 OC[C@H](O)CCC=O Amb25123219 [2,0,0,0,0,0|1,0,1]=4 1375 B7R0.4 C=C(Br)CCCC=O Amb24390485 [2,0,0,0,0,0|2,0,0]=4 1376 B7R0.4 C=CCCCC(=O)C Amb17593171 [2,0,0,0,0,0|2,0,0]=4 1377 B7R0.4 C=CCCCC(N)=O Amb24579642 [2,0,0,0,0,0|2,0,0]=4 1378 B7R0.4 C=CCSCC(=O)O Amb1110888 [2,0,0,0,0,0|2,0,0]=4 1379 B7R0.4 CC(=C)CCCC=O Amb18641705 [2,0,0,0,0,0|2,0,0]=4 1380 B7R0.4 CC(=O)CCCC=O Amb18641775 [2,0,0,0,0,0|1,0,0]=3 1381 B7R0.4 CC(=O)CCNC=O Amb25075578 [2,0,0,0,0,0|2,0,0]=4 1382 B7R0.4 CC(=O)CCOC=O Amb24408302 [2,0,0,0,0,0|2,0,0]=4 1383 B7R0.4 CC(=O)COCC=O Amb18641868 [2,0,0,0,0,0|2,0,0]=4 1384 B7R0.4 CC(=O)OCCC=O Amb18641862 [2,0,0,0,0,0|2,0,0]=4 1385 B7R0.4 CC(=O)SCCC=O Amb25101351 [2,0,0,0,0,0|2,0,0]=4 1386 B7R0.4 CC(O)CCCC=O Amb18641887 [2,0,0,0,0,0|1,0,1]=4 1387 B7R0.4 CCCCC[13C](O)=O Amb22353417 [2,0,0,0,0,0|1,0,1]=4 1388 B7R0.4 CCCC[13CH2][13C](O)=O Amb22367381 [2,0,0,0,0,0|1,0,1]=4 1389 B7R0.4 CNCCCC(=O)O Amb1153115 [2,0,0,0,0,0|2,0,0]=4 1390 B7R0.4 CSCCCC(=O)O Amb17503622 [2,0,0,0,0,0|2,0,0]=4 1391 B7R0.4 C[C@@H](O)CCCC=O Amb22896885 [2,0,0,0,0,0|1,0,1]=4 1392 B7R0.4 C[Se]CCCC(O)=O Amb22347334 [2,0,0,0,0,0|2,0,0]=4 1393 B7R0.4 C\C=C\CCC(=O)O Amb10071500 [2,0,0,0,0,0|1,0,1]=4 1394 B7R0.4 N#CCCCC(O)=O Amb18560874 [2,0,0,0,0,0|1,0,1]=4 1395 B7R0.4 NC(=O)CCNC=O Amb24630476 [2,0,0,0,0,0|2,0,0]=4 1396 B7R0.4 NC(=O)CSCC=O Amb25806671 [2,0,0,0,0,0|2,0,0]=4 1397 B7R0.4 NNCCCC(O)=O Amb24455803 [2,0,0,0,0,0|2,0,0]=4 1398 B7R0.4 NOCCCC(=O)O Amb10975956 [2,0,0,0,0,0|2,0,0]=4 1399 B7R0.4 NOCCCC(O)=O Amb22011795 [2,0,0,0,0,0|2,0,0]=4 1400 B7R0.4 O=CCCCC(=O)O Amb17593198 [2,0,0,0,0,0|0,0,0]=2 1401 B7R0.4 O=CCCNC(=O)C Amb17102165 [2,0,0,0,0,0|2,0,0]=4 1402 B7R0.4 OC(=O)CCNC=O Amb18290434 [2,0,0,0,0,0|1,0,0]=3 1403 B7R0.4 OC(=O)CC\C=C\Br Amb25238247 [2,0,0,0,0,0|1,0,1]=4 1404 B7R0.4 OC(=O)CC\C=C\Cl Amb25803087 [2,0,0,0,0,0|1,0,1]=4 1405 B7R0.4 OC(=O)CSCC=O Amb24628311 [2,0,0,0,0,0|1,0,0]=3 1406 B7R0.4 OC(=O)C\C=C\C=O Amb24437944 [2,0,0,0,0,0|0,0,2]=4 1407 B7R0.4 OCCCCC(=O)C Amb10603864 [2,0,0,0,0,0|1,0,1]=4 1408 B7R0.4 OCCCCC(=O)[O-] Amb13952763 [2,0,0,0,0,0|0,0,2]=4 1409 B7R0.4 OCCCCC(O)=O Amb22351244 [2,0,0,0,0,0|0,0,1]=3 1410 B7R0.4 OCCSCC(=O)O Amb1110090 [2,0,0,0,0,0|1,0,1]=4 1411 B7R0.4 SCCCCC(=O)O Amb17503767 [2,0,0,0,0,0|0,1,1]=4 1412 B7R0.4 [O-]C(=O)CCCCO Amb22749314 [2,0,0,0,0,0|0,0,2]=4 1413 B7R0.5 C#CCC(N)C(O)=O Amb19944472 [2,0,0,0,0,0|0,0,2]=4 1414 B7R0.5 C#CC[C@@H](N)C(O)=O Amb22748688 [2,0,0,0,0,0|0,0,2]=4 1415 B7R0.5 C=CCC(Br)C(O)=O Amb18648213 [2,0,0,0,0,0|1,0,1]=4 1416 B7R0.5 C=CCC(Cl)C(O)=O Amb25056173 [2,0,0,0,0,0|1,0,1]=4 1417 B7R0.5 C=CCC(N)C(O)=O Amb21856826 [2,0,0,0,0,0|0,0,1]=3 1418 B7R0.5 C=CCC(N)P(O)=O Amb24377187 [2,0,0,0,0,0|1,0,1]=4 1419 B7R0.5 C=CC[C@@H](F)C(O)=O Amb24481338 [2,0,0,0,0,0|1,0,1]=4 1420 B7R0.5 C=CC[C@@H](N)C(O)=O Amb22745310 [2,0,0,0,0,0|0,0,1]=3 1421 B7R0.5 C=CC[C@@H](O)C(O)=O Amb24548731 [2,0,0,0,0,0|1,0,1]=4 1422 B7R0.5 CC(=O)C(Cl)CC=O Amb18642970 [2,0,0,0,0,0|2,0,0]=4 1423 B7R0.5 CC(=O)C(N)CCO Amb25087112 [2,0,0,0,0,0|1,0,0]=3 1424 B7R0.5 CC(=O)C(S)CCO Amb25831127 [2,0,0,0,0,0|2,0,0]=4 1425 B7R0.5 CC(=O)N(N)CCO Amb18641953 [2,0,0,0,0,0|2,0,0]=4 1426 B7R0.5 CC(=O)[C@@H](O)CC=O Amb25839860 [2,0,0,0,0,0|2,0,0]=4 1427 B7R0.5 CC(C(=O)C)CCO Amb13881368 [2,0,0,0,0,0|2,0,0]=4 1428 B7R0.5 CC(CC=O)C(C)=O Amb18641772 [2,0,0,0,0,0|2,0,0]=4 1429 B7R0.5 CC(CCF)C(O)=O Amb24678386 [2,0,0,0,0,0|2,0,0]=4 1430 B7R0.5 CC(CCN)C(O)=O Amb20667970 [2,0,0,0,0,0|2,0,0]=4 1431 B7R0.5 CC(CCO)C(O)=O Amb18641949 [2,0,0,0,0,0|1,0,0]=3 1432 B7R0.5 CC(CCS)C(O)=O Amb25133689 [2,0,0,0,0,0|1,1,0]=4 1433 B7R0.5 CCCC(C(=O)O)Cl Amb17593470 [2,0,0,0,0,0|1,0,1]=4 1434 B7R0.5 CCCC(C(=O)O)O Amb2582532 [2,0,0,0,0,0|1,0,1]=4 1435 B7R0.5 CCCC(F)C(O)=O Amb25842008 [2,0,0,0,0,0|1,0,1]=4 1436 B7R0.5 CCCC(N)C(=O)S Amb25378817 [2,0,0,0,0,0|0,1,1]=4 1437 B7R0.5 CCCC(N)C(N)=O Amb22284825 [2,0,0,0,0,0|1,0,1]=4 1438 B7R0.5 CCCC(S)C(O)=O Amb18124440 [2,0,0,0,0,0|1,0,1]=4 1439 B7R0.5 CCC[C@@H](N)C(N)=O Amb22745048 [2,0,0,0,0,0|1,0,1]=4 1440 B7R0.5 CCC[C@@H](N)C(N)=O Amb24505187 [2,0,0,0,0,0|1,0,1]=4 1441 B7R0.5 CCC[C@@H](O)C(O)=O Amb22746731 [2,0,0,0,0,0|1,0,1]=4 1442 B7R0.5 CCC[C@H](F)C(O)=O Amb24657412 [2,0,0,0,0,0|1,0,1]=4 1443 B7R0.5 CCC[C@H](O)C(O)=O Amb22226514 [2,0,0,0,0,0|1,0,1]=4 1444 B7R0.5 CNCC(C(=O)O)N Amb10071505 [2,0,0,0,0,0|1,0,1]=4 1445 B7R0.5 CNCC(C(=O)O)N Amb10845350 [2,0,0,0,0,0|1,0,1]=4 1446 B7R0.5 CNC[C@@H](C(=O)O)N Amb17617148 [2,0,0,0,0,0|1,0,1]=4 1447 B7R0.5 CNC[C@@H](N)C(O)=O Amb19133072 [2,0,0,0,0,0|1,0,1]=4 1448 B7R0.5 CNC[C@@H](N)C(O)=O Amb22746009 [2,0,0,0,0,0|1,0,1]=4 1449 B7R0.5 CNC[C@@H](N)C(O)=O Amb22748835 [2,0,0,0,0,0|1,0,1]=4 1450 B7R0.5 CNC[C@H](N)C(O)=O Amb19892230 [2,0,0,0,0,0|1,0,1]=4 1451 B7R0.5 COC[C@@H](N)C(O)=O Amb22744762 [2,0,0,0,0,0|1,0,1]=4 1452 B7R0.5 COC[C@H](C(=O)O)N Amb10604051 [2,0,0,0,0,0|1,0,1]=4 1453 B7R0.5 C[C@@H](C(=O)O)CC=C Amb10844040 [2,0,0,0,0,0|1,0,1]=4 1454 B7R0.5 C[C@@H](C(=O)O)CCC Amb10844028 [2,0,0,0,0,0|1,0,1]=4 1455 B7R0.5 C[C@@H](CCS)C(O)=O Amb25786376 [2,0,0,0,0,0|1,1,0]=4 1456 B7R0.5 C[C@@H](NC=O)C(O)=O Amb22746684 [2,0,0,0,0,0|2,0,0]=4 1457 B7R0.5 C[C@H](C(=O)O)CC=C Amb10844033 [2,0,0,0,0,0|1,0,1]=4 1458 B7R0.5 C[C@H](C(=O)O)CCC Amb10844037 [2,0,0,0,0,0|1,0,1]=4 1459 B7R0.5 C[C@H](C(=O)O)CCN Amb10844043 [2,0,0,0,0,0|2,0,0]=4 1460 B7R0.5 C[C@H](CCO)C(O)=O Amb24483065 [2,0,0,0,0,0|1,0,0]=3 1461 B7R0.5 C[C@H](NCO)C(O)=O Amb24401217 [2,0,0,0,0,0|2,0,0]=4 1462 B7R0.5 C[Se]C[C@@H](C(=O)O)N Amb10601626 [2,0,0,0,0,0|1,0,1]=4 1463 B7R0.5 C[Se]C[C@@H](N)C(O)=O Amb22350259 [2,0,0,0,0,0|1,0,1]=4 1464 B7R0.5 C[Se]C[C@@H](N)C(O)=O Amb22745692 [2,0,0,0,0,0|1,0,1]=4 1465 B7R0.5 C\C=C\C(N)C(O)=O Amb24481451 [2,0,0,0,0,0|1,0,1]=4 1466 B7R0.5 NC(=O)C(O)CCO Amb25703294 [2,0,0,0,0,0|2,0,0]=4 1467 B7R0.5 NC(=O)C(S)CCO Amb24525295 [2,0,0,0,0,0|2,0,0]=4 1468 B7R0.5 NC(=O)N(N)CCO Amb18641972 [2,0,0,0,0,0|2,0,0]=4 1469 B7R0.5 NC(C(=O)O)CCBr Amb10576584 [2,0,0,0,0,0|1,0,0]=3 1470 B7R0.5 NC(CC#N)C(O)=O Amb18641766 [2,0,0,0,0,0|1,0,1]=4 1471 B7R0.5 NC(CCBr)C(O)=O Amb21858417 [2,0,0,0,0,0|1,0,0]=3 1472 B7R0.5 NC(CCF)C(N)=O Amb24391278 [2,0,0,0,0,0|2,0,0]=4 1473 B7R0.5 NC(CCI)C(O)=O Amb25339674 [2,0,0,0,0,0|1,0,0]=3 1474 B7R0.5 NC(CCO)C(N)=O Amb24481392 [2,0,0,0,0,0|1,0,0]=3 1475 B7R0.5 NC(CCS)C(N)=O Amb24599383 [2,0,0,0,0,0|1,1,0]=4 1476 B7R0.5 NC(CCS)C(O)=O Amb19267093 [2,0,0,0,0,0|0,1,0]=3 1477 B7R0.5 NC(CS=O)C(O)=O Amb24557184 [2,0,0,0,0,0|1,0,0]=3 1478 B7R0.5 NC(CSCl)C(O)=O Amb24482298 [2,0,0,0,0,0|2,0,0]=4 1479 B7R0.5 NC(CSO)C(O)=O Amb24746797 [2,0,0,0,0,0|1,0,0]=3 1480 B7R0.5 NC(CSS)C(O)=O Amb24614616 [2,0,0,0,0,0|1,1,0]=4 1481 B7R0.5 NC(\C=C\Cl)C(O)=O Amb24483058 [2,0,0,0,0,0|1,0,1]=4 1482 B7R0.5 NCCC(C(=O)O)F Amb10838221 [2,0,0,0,0,0|2,0,0]=4 1483 B7R0.5 NCCC(C(=O)O)O Amb16232090 [2,0,0,0,0,0|2,0,0]=4 1484 B7R0.5 NCCC(Cl)C(O)=O Amb18124502 [2,0,0,0,0,0|2,0,0]=4 1485 B7R0.5 NCCC(F)C(O)=O Amb22229524 [2,0,0,0,0,0|2,0,0]=4 1486 B7R0.5 NCCC(N)C(N)=O Amb24634873 [2,0,0,0,0,0|2,0,0]=4 1487 B7R0.5 NCCC(N)C(O)=O Amb17678762 [2,0,0,0,0,0|1,0,0]=3 1488 B7R0.5 NCCC(N)C(O)=O Amb22348212 [2,0,0,0,0,0|1,0,0]=3 1489 B7R0.5 NCCC(S)C(O)=O Amb25083375 [2,0,0,0,0,0|2,0,0]=4 1490 B7R0.5 NCC[C@@H](Cl)C(O)=O Amb24481492 [2,0,0,0,0,0|2,0,0]=4 1491 B7R0.5 NCC[C@@H](F)C(O)=O Amb24055858 [2,0,0,0,0,0|2,0,0]=4 1492 B7R0.5 NCC[C@@H](N)C(O)=O Amb22750574 [2,0,0,0,0,0|1,0,0]=3 1493 B7R0.5 NCC[C@@H](N)C(O)=O Amb23438994 [2,0,0,0,0,0|1,0,0]=3 1494 B7R0.5 NCC[C@@H](O)C(O)=O Amb22225364 [2,0,0,0,0,0|2,0,0]=4 1495 B7R0.5 NCC[C@@H](O)C(O)=O Amb22748225 [2,0,0,0,0,0|2,0,0]=4 1496 B7R0.5 NCC[C@H](F)C(O)=O Amb24055857 [2,0,0,0,0,0|2,0,0]=4 1497 B7R0.5 NCC[C@H](N)C(O)=O Amb22886961 [2,0,0,0,0,0|1,0,0]=3 1498 B7R0.5 NOCC(N)C(O)=O Amb24184086 [2,0,0,0,0,0|2,0,0]=4 1499 B7R0.5 NOC[C@@H](N)C(O)=O Amb25791301 [2,0,0,0,0,0|2,0,0]=4 1500 B7R0.5 NOC[C@H](N)C(O)=O Amb24548229 [2,0,0,0,0,0|2,0,0]=4 1501 B7R0.5 N[C@@H](C(=O)O)CC#C Amb16183954 [2,0,0,0,0,0|0,0,2]=4 1502 B7R0.5 N[C@@H](C(=O)O)CCN Amb16183852 [2,0,0,0,0,0|1,0,0]=3 1503 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22746780 [2,0,0,0,0,0|0,0,0]=2 1504 B7R0.5 N[C@@H](CC=O)C(O)=O Amb22748768 [2,0,0,0,0,0|0,0,0]=2 1505 B7R0.5 N[C@@H](CCBr)C(O)=O Amb22748283 [2,0,0,0,0,0|1,0,0]=3 1506 B7R0.5 N[C@@H](CCO)C(O)=O Amb20242705 [2,0,0,0,0,0|0,0,0]=2 1507 B7R0.5 N[C@@H](CCS)P(O)=O Amb24594746 [2,0,0,0,0,0|1,1,0]=4 1508 B7R0.5 N[C@@H](CCS)S(O)=O Amb25784628 [2,0,0,0,0,0|1,1,0]=4 1509 B7R0.5 N[C@@H](CNO)C(O)=O Amb24481412 [2,0,0,0,0,0|1,0,0]=3 1510 B7R0.5 N[C@@H](CO[SiH3])C(O)=O Amb24526864 [2,0,0,0,0,0|1,1,0]=4 1511 B7R0.5 N[C@@H](CSCl)C(O)=O Amb25055747 [2,0,0,0,0,0|2,0,0]=4 1512 B7R0.5 N[C@@H](CSO)C(O)=O Amb24481432 [2,0,0,0,0,0|1,0,0]=3 1513 B7R0.5 N[C@H](C(=O)O)CC#N Amb16183916 [2,0,0,0,0,0|1,0,1]=4 1514 B7R0.5 N[C@H](C(=O)O)CC=C Amb10982568 [2,0,0,0,0,0|0,0,1]=3 1515 B7R0.5 N[C@H](C(=O)O)CCN Amb16183862 [2,0,0,0,0,0|1,0,0]=3 1516 B7R0.5 N[C@H](CCS)C(O)=O Amb22230515 [2,0,0,0,0,0|0,1,0]=3 1517 B7R0.5 N[C@H](CNO)C(O)=O Amb24745929 [2,0,0,0,0,0|1,0,0]=3 1518 B7R0.5 N[C@H](\C=C\Cl)C(O)=O Amb25230190 [2,0,0,0,0,0|1,0,1]=4 1519 B7R0.5 O=CCC(C(=O)O)N Amb16232081 [2,0,0,0,0,0|0,0,0]=2 1520 B7R0.5 O=CNC(C(=O)O)C Amb1144629 [2,0,0,0,0,0|2,0,0]=4 1521 B7R0.5 OC(=O)C(=O)CCO Amb25677024 [2,0,0,0,0,0|1,0,1]=4 1522 B7R0.5 OC(=O)C(Br)CCBr Amb19889695 [2,0,0,0,0,0|2,0,0]=4 1523 B7R0.5 OC(=O)C(Br)CCF Amb25073798 [2,0,0,0,0,0|2,0,0]=4 1524 B7R0.5 OC(=O)C(Cl)CCCl Amb18126030 [2,0,0,0,0,0|2,0,0]=4 1525 B7R0.5 OC(=O)[C@H](S)CCS Amb24483251 [2,0,0,0,0,0|1,1,0]=4 1526 B7R0.5 OC(CC=O)C(O)=O Amb25225249 [2,0,0,0,0,0|1,0,0]=3 1527 B7R0.5 OC(CCS)C(O)=O Amb24586206 [2,0,0,0,0,0|1,1,0]=4 1528 B7R0.5 OCCC(O)C(O)=O Amb24689942 [2,0,0,0,0,0|1,0,0]=3 1529 B7R0.5 O[15NH]CC(C(=O)O)N Amb17608097 [2,0,0,0,0,0|1,0,0]=3 1530 B7R0.5 O[C@@H](CCF)C(O)=O Amb24481351 [2,0,0,0,0,0|2,0,0]=4 1531 B7R0.6 C=C(Br)CCC(O)=O Amb18648212 [2,0,0,0,0,0|1,0,1]=4 1532 B7R0.6 C=C(Cl)CCC(O)=O Amb18642971 [2,0,0,0,0,0|1,0,1]=4 1533 B7R0.6 C=C(F)CCC(O)=O Amb25141041 [2,0,0,0,0,0|1,0,1]=4 1534 B7R0.6 CC(=C)CCC(O)=O Amb18641793 [2,0,0,0,0,0|1,0,1]=4 1535 B7R0.6 CC(=O)CCC(=O)N Amb17142854 [2,0,0,0,0,0|1,0,1]=4 1536 B7R0.6 CC(Br)CCC(O)=O Amb18124528 [2,0,0,0,0,0|1,0,1]=4 1537 B7R0.6 CC(C)CC[13C](O)=O Amb22337922 [2,0,0,0,0,0|1,0,1]=4 1538 B7R0.6 CC(CCC(=O)O)C Amb1153016 [2,0,0,0,0,0|1,0,1]=4 1539 B7R0.6 CC(CCC(=O)O)N Amb17593212 [2,0,0,0,0,0|0,0,1]=3 1540 B7R0.6 CC(Cl)CCC(O)=O Amb18124448 [2,0,0,0,0,0|1,0,1]=4 1541 B7R0.6 CC(F)CCC(O)=O Amb24682772 [2,0,0,0,0,0|1,0,1]=4 1542 B7R0.6 CC(N)CCC(C)=O Amb24698356 [2,0,0,0,0,0|1,0,1]=4 1543 B7R0.6 CC(N)CCC(N)=O Amb18641901 [2,0,0,0,0,0|1,0,1]=4 1544 B7R0.6 CC(N)CCC(O)=O Amb19515603 [2,0,0,0,0,0|0,0,1]=3 1545 B7R0.6 CC(O)CCC(C)=O Amb25829594 [2,0,0,0,0,0|2,0,0]=4 1546 B7R0.6 CC(O)CCC(O)=O Amb18294804 [2,0,0,0,0,0|1,0,0]=3 1547 B7R0.6 CC(O)NCC(O)=O Amb25141558 [2,0,0,0,0,0|2,0,0]=4 1548 B7R0.6 CS(=O)CCC(O)=O Amb18523762 [2,0,0,0,0,0|2,0,0]=4 1549 B7R0.6 C[C@@H](COC(=O)O)O Amb16232417 [2,0,0,0,0,0|2,0,0]=4 1550 B7R0.6 C[C@@H](O)CCC(C)=O Amb22351150 [2,0,0,0,0,0|2,0,0]=4 1551 B7R0.6 C[C@@H](S)CCC(O)=O Amb24587370 [2,0,0,0,0,0|1,0,1]=4 1552 B7R0.6 C[C@H](N)CCC(O)=O Amb25047328 [2,0,0,0,0,0|0,0,1]=3 1553 B7R0.6 NC(=N)CCC(O)=O Amb25736788 [2,0,0,0,0,0|1,0,1]=4 1554 B7R0.6 NC(=O)CCC(=O)N Amb1353209 [2,0,0,0,0,0|1,0,1]=4 1555 B7R0.6 NC(=O)CCP(O)=O Amb25840251 [2,0,0,0,0,0|1,0,1]=4 1556 B7R0.6 NC(=O)CNC(O)=O Amb24705097 [2,0,0,0,0,0|1,0,1]=4 1557 B7R0.6 NC(=O)NCC(=O)O Amb16205895 [2,0,0,0,0,0|1,0,1]=4 1558 B7R0.6 NC(=O)OCC(O)=O Amb25777061 [2,0,0,0,0,0|1,0,1]=4 1559 B7R0.6 NC(=O)SCC(O)=O Amb24640543 [2,0,0,0,0,0|1,0,1]=4 1560 B7R0.6 NC(=S)CCC(O)=O Amb18102382 [2,0,0,0,0,0|0,1,1]=4 1561 B7R0.6 OB(O)CCC(O)=O Amb24640288 [2,0,0,0,0,0|2,0,0]=4 1562 B7R0.6 OC(=O)CCC(=O)Cl Amb17593468 [2,0,0,0,0,0|1,0,1]=4 1563 B7R0.6 OC(=O)CCC(Cl)Cl Amb25059214 [2,0,0,0,0,0|2,0,0]=4 1564 B7R0.6 OC(=O)CCC(F)F Amb20623135 [2,0,0,0,0,0|2,0,0]=4 1565 B7R0.6 OC(=O)CCC(O)=O Amb22168124 [2,0,0,0,0,0|1,0,1]=4 1566 B7R0.6 OC(=O)CCC(O)=O Amb22349196 [2,0,0,0,0,0|1,0,1]=4 1567 B7R0.6 OC(=O)CCC(O)=O Amb22353352 [2,0,0,0,0,0|1,0,1]=4 1568 B7R0.6 OC(=O)CCC(O)=O Amb22360649 [2,0,0,0,0,0|1,0,1]=4 1569 B7R0.6 OC(=O)C[13CH2][13C](O)=O Amb22353421 [2,0,0,0,0,0|1,0,1]=4 1570 B7R0.6 OC(=O)[13CH2][13CH2]C(O)=O Amb22338081 [2,0,0,0,0,0|1,0,1]=4 1571 B7R0.6 OC(=O)[14CH2][14CH2]C(O)=O Amb22337597 [2,0,0,0,0,0|1,0,1]=4 1572 B7R0.6 OC(=S)CCC(O)=O Amb24586272 [2,0,0,0,0,0|1,0,1]=4 1573 B7R0.6 OC(O)CCC(O)=O Amb25762802 [2,0,0,0,0,0|1,0,0]=3 1574 B7R0.6 O[13C](=O)CC[13C](O)=O Amb22056173 [2,0,0,0,0,0|1,0,1]=4 1575 B7R0.6 O[13C](=O)[13CH2][13CH2][13C](O)=O Amb22056172 [2,0,0,0,0,0|1,0,1]=4 1576 B7R0.6 O[14C](=O)CC[14C](O)=O Amb22352661 [2,0,0,0,0,0|1,0,1]=4 1577 B7R0.6 [13CH3][13C](=O)[13CH2]CC(O)=O Amb22056002 [2,0,0,0,0,0|1,0,1]=4 1578 B7R0.6 [O-]C(=O)CCC(O)=O Amb22730137 [2,0,0,0,0,0|1,0,1]=4 1579 B7R0.6 [O-]C(=O)CCC(O)=O Amb22733837 [2,0,0,0,0,0|1,0,1]=4 1580 B7R0.6 [O-][N+](=O)CCC(=O)O Amb10843224 [2,0,0,0,0,0|2,0,0]=4 1581 B9R0.6 C=CCC(N)C(O)C(O)=O Amb25147612 [1,1,0,0,0,0|2,0,0]=4 1582 B9R0.6 C=CC[C@@H](O)[C@H](N)C(O)=O Amb24459826 [1,1,0,0,0,0|1,0,0]=3 1583 B9R0.6 CC(C(C)CC=C)C(O)=O Amb18643938 [1,1,0,0,0,0|2,0,0]=4 1584 B9R0.6 CC(C(C)CC=O)C(O)=O Amb18644133 [1,1,0,0,0,0|1,0,0]=3 1585 B9R0.6 CC(C(C)NC=O)C(O)=O Amb24543868 [1,1,0,0,0,0|2,0,0]=4 1586 B9R0.6 CC(CCC)C(N)C(O)=O Amb20622789 [1,1,0,0,0,0|1,0,1]=4 1587 B9R0.6 CC(CCCl)C(N)C(O)=O Amb25803640 [1,1,0,0,0,0|1,0,1]=4 1588 B9R0.6 CC(CCN)C(N)C(O)=O Amb25309114 [1,1,0,0,0,0|1,0,1]=4 1589 B9R0.6 CC(CCO)C(N)C(O)=O Amb25054791 [1,1,0,0,0,0|0,0,1]=3 1590 B9R0.6 CC(CCO)C(O)C(O)=O Amb24392760 [1,1,0,0,0,0|1,0,1]=4 1591 B9R0.6 CC(CCO)[C@H](N)C(O)=O Amb24744497 [1,1,0,0,0,0|0,0,1]=3 1592 B9R0.6 CC(COC)C(N)C(O)=O Amb24116980 [1,1,0,0,0,0|2,0,0]=4 1593 B9R0.6 CC(COC)[C@H](N)C(O)=O Amb25729786 [1,1,0,0,0,0|2,0,0]=4 1594 B9R0.6 CC(CSC)[C@@H](N)C(O)=O Amb24482316 [1,1,0,0,0,0|2,0,0]=4 1595 B9R0.6 CC(OCO)C(N)C(O)=O Amb24567906 [1,1,0,0,0,0|1,0,1]=4 1596 B9R0.6 CCCC(C(C(=O)O)N)F Amb10839857 [1,1,0,0,0,0|1,0,1]=4 1597 B9R0.6 CCCC(O)C(N)C(O)=O Amb18124815 [1,1,0,0,0,0|1,0,1]=4 1598 B9R0.6 CCCC(O)[C@@H](N)C(O)=O Amb25268432 [1,1,0,0,0,0|1,0,1]=4 1599 B9R0.6 CCCC(S)[C@H](N)C(O)=O Amb24359854 [1,1,0,0,0,0|1,0,1]=4 1600 B9R0.6 CCC[C@@H](O)[C@@H](N)C(O)=O Amb25367288 [1,1,0,0,0,0|1,0,1]=4 1601 B9R0.6 CCC[C@@H](O)[C@H](N)C(O)=O Amb24715802 [1,1,0,0,0,0|1,0,1]=4 1602 B9R0.6 CCC[C@H](O)[C@H](N)C(O)=O Amb25113866 [1,1,0,0,0,0|1,0,1]=4 1603 B9R0.6 COCC(O)C(N)C(O)=O Amb25147551 [1,1,0,0,0,0|2,0,0]=4 1604 B9R0.6 CSCC(O)C(N)C(O)=O Amb18646340 [1,1,0,0,0,0|2,0,0]=4 1605 B9R0.6 C[C@@H](CCF)[C@H](N)C(O)=O Amb25147533 [1,1,0,0,0,0|1,0,1]=4 1606 B9R0.6 C[C@@H](CCO)[C@H](N)C(O)=O Amb25709206 [1,1,0,0,0,0|0,0,1]=3 1607 B9R0.6 C[C@H](CC=C)[C@H](N)C(O)=O Amb25347201 [1,1,0,0,0,0|1,0,0]=3 1608 B9R0.6 C[C@H](CCC)[C@H](N)C(O)=O Amb25062732 [1,1,0,0,0,0|1,0,1]=4 1609 B9R0.6 C[C@H](CCF)[C@H](N)C(O)=O Amb25132099 [1,1,0,0,0,0|1,0,1]=4 1610 B9R0.6 C[C@H](CCO)[C@H](N)C(O)=O Amb25111969 [1,1,0,0,0,0|0,0,1]=3 1611 B9R0.6 C[C@H](CCO)[C@H](O)C(O)=O Amb25122108 [1,1,0,0,0,0|1,0,1]=4 1612 B9R0.6 C[C@H](CSC)[C@@H](N)C(O)=O Amb24642749 [1,1,0,0,0,0|2,0,0]=4 1613 B9R0.6 C[C@H](CSC)[C@H](N)C(O)=O Amb25851133 [1,1,0,0,0,0|2,0,0]=4 1614 B9R0.6 C[C@H]([C@H](C)OC=O)C(O)=O Amb24479221 [1,1,0,0,0,0|2,0,0]=4 1615 B9R0.6 NC(C(S)CCO)C(O)=O Amb24724703 [1,1,0,0,0,0|0,0,1]=3 1616 B9R0.6 N[C@@H](C(S)CCO)C(O)=O Amb25320812 [1,1,0,0,0,0|0,0,1]=3 1617 B9R0.6 OCCC(O)C(O)C(O)=O Amb24482452 [1,1,0,0,0,0|1,0,1]=4 1618 B9R0.8 C=CCCC(N)C(=O)C=C Amb24398141 [1,1,0,0,0,0|2,0,0]=4 1619 B9R0.8 C=CCCC(N)C(=O)NN Amb24470312 [1,1,0,0,0,0|2,0,0]=4 1620 B9R0.8 CCC(=O)C(C)CCC=O Amb18643954 [1,1,0,0,0,0|2,0,0]=4 1621 B9R0.8 CCC(=O)C(N)CCC=C Amb25287718 [1,1,0,0,0,0|2,0,0]=4 1622 B9R0.8 CCCCC(N)C(=O)NO Amb22059372 [1,1,0,0,0,0|1,0,1]=4 1623 B9R0.8 CCCC[C@@H](N)C(=O)OC Amb22745342 [1,1,0,0,0,0|1,0,1]=4 1624 B9R0.8 CCCC[C@H](C(=O)OC)N Amb16183949 [1,1,0,0,0,0|1,0,1]=4 1625 B9R0.8 CCCC[C@H](N)C(=O)OC Amb22169631 [1,1,0,0,0,0|1,0,1]=4 1626 B9R0.8 CNC(=O)C(N)CCC=C Amb25708722 [1,1,0,0,0,0|2,0,0]=4 1627 B9R0.8 COC(=O)C(=O)CCC=O Amb25699822 [1,1,0,0,0,0|1,0,1]=4 1628 B9R0.8 COC(=O)C(Br)COC=O Amb24502286 [1,1,0,0,0,0|2,0,0]=4 1629 B9R0.8 COC(=O)C(C)CCC=O Amb18644132 [1,1,0,0,0,0|1,0,0]=3 1630 B9R0.8 COC(=O)C(C)CCCO Amb24413656 [1,1,0,0,0,0|1,0,1]=4 1631 B9R0.8 COC(=O)C(C)C\C=C\O Amb24412661 [1,1,0,0,0,0|1,0,1]=4 1632 B9R0.8 COC(=O)C(N)CC=C=O Amb25123214 [1,1,0,0,0,0|0,0,2]=4 1633 B9R0.8 COC(=O)C(N)CCCO Amb18644325 [1,1,0,0,0,0|0,0,1]=3 1634 B9R0.8 COC(=O)C(N)CSN=O Amb25780529 [1,1,0,0,0,0|2,0,0]=4 1635 B9R0.8 COC(=O)C(N)C\C=C\Cl Amb25119357 [1,1,0,0,0,0|1,0,1]=4 1636 B9R0.8 COC(=O)C(O)CCC=O Amb25078499 [1,1,0,0,0,0|1,0,0]=3 1637 B9R0.8 COC(=O)C(O)CCCO Amb24404795 [1,1,0,0,0,0|1,0,1]=4 1638 B9R0.8 COC(=O)[C@@H](N)CCC#N Amb24479018 [1,1,0,0,0,0|1,0,1]=4 1639 B9R0.8 COC(=O)[C@@H](N)CNC=O Amb24409940 [1,1,0,0,0,0|1,0,0]=3 1640 B9R0.8 COC(=O)[C@@H](N)CSN=O Amb24482178 [1,1,0,0,0,0|2,0,0]=4 1641 B9R0.8 COC(=O)[C@H](CCCN)N Amb16183971 [1,1,0,0,0,0|1,0,1]=4 1642 B9R0.8 COC(=O)[C@H](N)CCC#C Amb25367248 [1,1,0,0,0,0|1,0,1]=4 1643 B9R0.8 COC(=O)[C@H](N)CCCN Amb25823371 [1,1,0,0,0,0|1,0,1]=4 1644 B9R0.8 COC(=O)[C@H](O)CCC=C Amb25749046 [1,1,0,0,0,0|2,0,0]=4 1645 B9R0.8 COC(=O)[C@H](O)CNC=O Amb25245085 [1,1,0,0,0,0|2,0,0]=4 1646 B9R0.8 COCCC(N)C(=O)NO Amb25146432 [1,1,0,0,0,0|2,0,0]=4 1647 B9R0.8 COCCC(N)C(=O)OC Amb24053179 [1,1,0,0,0,0|2,0,0]=4 1648 B9R0.8 CSCCC(C(=O)OC)N Amb1152979 [1,1,0,0,0,0|2,0,0]=4 1649 B9R0.8 CSCCC(N)C(=O)NO Amb22349956 [1,1,0,0,0,0|2,0,0]=4 1650 B9R0.8 CSCC[C@H](N)C(=O)O[Zn+] Amb20241025 [1,1,0,0,0,0|2,0,0]=4 1651 B9R0.8 NCCC[C@@H](C(=O)OC)N Amb16236222 [1,1,0,0,0,0|1,0,1]=4 1652 B9R0.8 OCCCC(O)C(=O)CO Amb24685446 [1,1,0,0,0,0|1,0,1]=4 1653 B9R0.8 OCCC[C@H](O)C(=O)CO Amb25687237 [1,1,0,0,0,0|1,0,1]=4 1654 B9R0.13 C=CCC[C@@H](C=C)C(O)=O Amb24615240 [1,1,0,0,0,0|2,0,0]=4 1655 B9R0.13 C=CCC[C@H](C=C)C(O)=O Amb24601426 [1,1,0,0,0,0|2,0,0]=4 1656 B9R0.13 C=CCNC(CN)C(O)=O Amb24482116 [1,1,0,0,0,0|2,0,0]=4 1657 B9R0.13 C=CCSC(CN)C(O)=O Amb24753370 [1,1,0,0,0,0|2,0,0]=4 1658 B9R0.13 CCC(CNC=O)C(O)=O Amb24340327 [1,1,0,0,0,0|2,0,0]=4 1659 B9R0.13 CCCCC(NC)C(O)=O Amb24116642 [1,1,0,0,0,0|1,0,1]=4 1660 B9R0.13 CCCCC(NN)C(O)=O Amb18644274 [1,1,0,0,0,0|1,0,1]=4 1661 B9R0.13 CCCCC(ON)C(O)=O Amb25140283 [1,1,0,0,0,0|1,0,1]=4 1662 B9R0.13 CCCC[C@@H](NC)C(O)=O Amb22799980 [1,1,0,0,0,0|1,0,1]=4 1663 B9R0.13 CCCC[C@@H](NN)C(O)=O Amb25076236 [1,1,0,0,0,0|1,0,1]=4 1664 B9R0.13 CCCC[C@H](CN)C(O)=O Amb25307811 [1,1,0,0,0,0|1,0,1]=4 1665 B9R0.13 CCCC[C@H](NCl)C(O)=O Amb24482437 [1,1,0,0,0,0|1,0,1]=4 1666 B9R0.13 CNC(CCCN)C(O)=O Amb18644280 [1,1,0,0,0,0|1,0,1]=4 1667 B9R0.13 CNC(CCOC)C(O)=O Amb24405197 [1,1,0,0,0,0|2,0,0]=4 1668 B9R0.13 CNC(CCSC)C(O)=O Amb18792506 [1,1,0,0,0,0|2,0,0]=4 1669 B9R0.13 CN[C@@H](CCCN)C(O)=O Amb24584680 [1,1,0,0,0,0|1,0,1]=4 1670 B9R0.13 COC(CNC=O)C(O)=O Amb24724258 [1,1,0,0,0,0|2,0,0]=4 1671 B9R0.13 COCCC(CN)C(O)=O Amb24697893 [1,1,0,0,0,0|2,0,0]=4 1672 B9R0.13 CSC(CCNO)C(O)=O Amb24390302 [1,1,0,0,0,0|2,0,0]=4 1673 B9R0.13 CSCCC(CN)C(O)=O Amb24618199 [1,1,0,0,0,0|2,0,0]=4 1674 B9R0.13 CSCC[C@H](NO)C(O)=O Amb25306086 [1,1,0,0,0,0|2,0,0]=4 1675 B9R0.13 NCCCC(CN)C(O)=O Amb25072736 [1,1,0,0,0,0|1,0,1]=4 1676 B9R0.13 NCCCC(NCl)C(O)=O Amb24373822 [1,1,0,0,0,0|1,0,1]=4 1677 B9R0.13 NCCCC(NN)C(O)=O Amb18644331 [1,1,0,0,0,0|1,0,1]=4 1678 B9R0.13 NCCCC(NN)C(O)=O Amb22229924 [1,1,0,0,0,0|1,0,1]=4 1679 B9R0.13 NCCC[C@@H](NN)C(O)=O Amb22801170 [1,1,0,0,0,0|1,0,1]=4 1680 B9R0.42 C=C(CC(N)C(O)=O)C=C Amb25698333 [1,1,0,0,0,0|1,0,1]=4 1681 B9R0.42 CC(CC(C)C=C)C(O)=O Amb18643935 [1,1,0,0,0,0|2,0,0]=4 1682 B9R0.42 CC(CC(C)C=O)C(O)=O Amb18644134 [1,1,0,0,0,0|1,0,0]=3 1683 B9R0.42 CC(CC(N)C(O)=O)C#C Amb25067277 [1,1,0,0,0,0|1,0,1]=4 1684 B9R0.42 CC(CC(N)C(O)=O)C#N Amb25262927 [1,1,0,0,0,0|1,0,1]=4 1685 B9R0.42 CC(CC(N)C(O)=O)C=C Amb25778211 [1,1,0,0,0,0|1,0,0]=3 1686 B9R0.42 CC(CC(N)C(O)=O)CC Amb18313985 [1,1,0,0,0,0|1,0,1]=4 1687 B9R0.42 CC(CC(N)C(O)=O)CC Amb20667726 [1,1,0,0,0,0|1,0,1]=4 1688 B9R0.42 CC(CC(N)C(O)=O)CCl Amb24480574 [1,1,0,0,0,0|1,0,1]=4 1689 B9R0.42 CC(CC(N)C(O)=O)CO Amb25147300 [1,1,0,0,0,0|0,0,1]=3 1690 B9R0.42 CC(CC(N)C(O)=O)NC Amb24711878 [1,1,0,0,0,0|2,0,0]=4 1691 B9R0.42 CC(CC(N)C(O)=O)OC Amb25147752 [1,1,0,0,0,0|2,0,0]=4 1692 B9R0.42 CC(CC(N)C(O)=O)SC Amb24365891 [1,1,0,0,0,0|2,0,0]=4 1693 B9R0.42 CC(CN(C)C=O)C(O)=O Amb18292993 [1,1,0,0,0,0|2,0,0]=4 1694 B9R0.42 CC(C[C@@H](N)C(O)=O)CC Amb25127143 [1,1,0,0,0,0|1,0,1]=4 1695 B9R0.42 CC(C[C@@H](N)C(O)=O)OC Amb24412403 [1,1,0,0,0,0|2,0,0]=4 1696 B9R0.42 CC(C[C@@H](N)C(O)=O)SC Amb24692660 [1,1,0,0,0,0|2,0,0]=4 1697 B9R0.42 CC(C[C@H](N)C(O)=O)C#C Amb25214668 [1,1,0,0,0,0|1,0,1]=4 1698 B9R0.42 CC(C[C@H](N)C(O)=O)CCl Amb24479195 [1,1,0,0,0,0|1,0,1]=4 1699 B9R0.42 CCC(Cl)CC(N)C(O)=O Amb24374416 [1,1,0,0,0,0|1,0,1]=4 1700 B9R0.42 CCC(O)CC(N)C(O)=O Amb24117068 [1,1,0,0,0,0|1,0,1]=4 1701 B9R0.42 CCC(O)C[C@H](N)C(O)=O Amb24759913 [1,1,0,0,0,0|1,0,1]=4 1702 B9R0.42 CC[C@@H](F)C[C@H](N)C(O)=O Amb25147291 [1,1,0,0,0,0|1,0,1]=4 1703 B9R0.42 C[C@@H](C[C@@H](C)C=C)C(O)=O Amb25756960 [1,1,0,0,0,0|2,0,0]=4 1704 B9R0.42 C[C@@H](C[C@@H](N)C(O)=O)CC Amb25844637 [1,1,0,0,0,0|1,0,1]=4 1705 B9R0.42 C[C@@H](C[C@H](C)C=C)C(O)=O Amb25757917 [1,1,0,0,0,0|2,0,0]=4 1706 B9R0.42 C[C@@H](C[C@H](N)C(O)=O)C=C Amb25727679 [1,1,0,0,0,0|1,0,0]=3 1707 B9R0.42 C[C@@H](C[C@H](N)C(O)=O)CC Amb24619367 [1,1,0,0,0,0|1,0,1]=4 1708 B9R0.42 C[C@@H](C[C@H](N)C(O)=O)CF Amb25147611 [1,1,0,0,0,0|1,0,1]=4 1709 B9R0.42 C[C@H](C[C@@H](N)C(O)=O)CC Amb25738618 [1,1,0,0,0,0|1,0,1]=4 1710 B9R0.42 C[C@H](C[C@H](C)C=C)C(O)=O Amb24352097 [1,1,0,0,0,0|2,0,0]=4 1711 B9R0.42 C[C@H](C[C@H](C)C=O)C(C)=O Amb25043958 [1,1,0,0,0,0|2,0,0]=4 1712 B9R0.42 C[C@H](C[C@H](C)CO)C(O)=O Amb24480419 [1,1,0,0,0,0|1,0,1]=4 1713 B9R0.42 C[C@H](C[C@H](N)C(O)=O)C#N Amb24529159 [1,1,0,0,0,0|1,0,1]=4 1714 B9R0.42 C[C@H](C[C@H](N)C(O)=O)C=C Amb24561660 [1,1,0,0,0,0|1,0,0]=3 1715 B9R0.42 C[C@H](C[C@H](N)C(O)=O)CC Amb25662528 [1,1,0,0,0,0|1,0,1]=4 1716 B9R0.42 C[C@H](C[C@H](N)C(O)=O)CF Amb25378691 [1,1,0,0,0,0|1,0,1]=4 1717 B9R0.42 C[C@H](C[C@H](N)C(O)=O)CO Amb25378739 [1,1,0,0,0,0|0,0,1]=3 1718 B9R0.42 C[C@H](C[C@H](N)C(O)=O)SC Amb25848560 [1,1,0,0,0,0|2,0,0]=4 1719 B9R0.42 C\C(\CC(N)C(O)=O)=C/C Amb24587021 [1,1,0,0,0,0|1,0,1]=4 1720 B9R0.42 C\C(\C[C@H](N)C(O)=O)=C\C Amb24746992 [1,1,0,0,0,0|1,0,1]=4 1721 B9R0.42 NC(CC(=O)CO)C(O)=O Amb18644310 [1,1,0,0,0,0|0,0,2]=4 1722 B9R0.42 NC(CC(=O)NO)C(O)=O Amb22349932 [1,1,0,0,0,0|1,0,1]=4 1723 B9R0.42 NC(CC(Br)=CBr)C(O)=O Amb24644290 [1,1,0,0,0,0|1,0,1]=4 1724 B9R0.42 NC(CC(F)CN)C(O)=O Amb24709973 [1,1,0,0,0,0|1,0,1]=4 1725 B9R0.42 NC(CC(O)CCl)C(O)=O Amb20179638 [1,1,0,0,0,0|1,0,1]=4 1726 B9R0.42 NC(CC(O)CO)C(O)=O Amb18644388 [1,1,0,0,0,0|0,0,1]=3 1727 B9R0.42 NC(CC(O)CO)C(O)=O Amb24117285 [1,1,0,0,0,0|0,0,1]=3 1728 B9R0.42 NC(\C=C(\P)/C=O)C(O)=O Amb25361040 [1,1,0,0,0,0|0,0,2]=4 1729 B9R0.42 N[C@@H](CC(F)CO)C(O)=O Amb24079182 [1,1,0,0,0,0|0,0,1]=3 1730 B9R0.42 N[C@@H](CC(O)CN)C(O)=O Amb24455060 [1,1,0,0,0,0|1,0,1]=4 1731 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(O)=O Amb25367252 [1,1,0,0,0,0|0,0,0]=2 1732 B9R0.42 N[C@@H](C[C@@H](O)CN)C(O)=O Amb25320209 [1,1,0,0,0,0|1,0,1]=4 1733 B9R0.42 N[C@@H](C[C@@H](O)CO)C(O)=O Amb24680903 [1,1,0,0,0,0|0,0,1]=3 1734 B9R0.42 N[C@@H](C[C@H](O)CCl)C(O)=O Amb25265266 [1,1,0,0,0,0|1,0,1]=4 1735 B9R0.42 N[C@@H](C[C@H](O)CN)C(O)=O Amb24446199 [1,1,0,0,0,0|1,0,1]=4 1736 B9R0.42 N[C@H](CC(=O)NO)C(O)=O Amb24451287 [1,1,0,0,0,0|1,0,1]=4 1737 B9R0.42 N[C@H](C[C@@H](O)CN)C(O)=O Amb24480730 [1,1,0,0,0,0|1,0,1]=4 1738 B9R0.42 N[C@H](C[C@H](O)CN)C(O)=O Amb25147418 [1,1,0,0,0,0|1,0,1]=4 1739 B9R0.42 O=NN(CC(C(=O)O)N)O Amb17607757 [1,1,0,0,0,0|2,0,0]=4 1740 B9R0.42 O=NN(C[C@@H](C(=O)O)N)O Amb17607759 [1,1,0,0,0,0|2,0,0]=4 1741 B9R0.42 O=[15N][15N](CC(C(=O)O)N)O Amb17607758 [1,1,0,0,0,0|2,0,0]=4 1742 B9R0.42 OCC(O)CC(O)C(O)=O Amb18644410 [1,1,0,0,0,0|1,0,1]=4 1743 B9R0.42 OC[C@@H](O)C[C@@H](O)C(O)=O Amb25227512 [1,1,0,0,0,0|1,0,1]=4 1744 B9R0.42 OC[C@@H](O)C[C@H](O)C(O)=O Amb25336564 [1,1,0,0,0,0|1,0,1]=4 1745 B9R0.42 OC[C@H](O)C[C@@H](O)C(O)=O Amb25774509 [1,1,0,0,0,0|1,0,1]=4 1746 B9R0.47 C#CCCC[C@@H](N)C(O)=O Amb24077358 [1,1,0,0,0,0|1,0,1]=4 1747 B9R0.47 C#CCCC[C@H](N)C(O)=O Amb24088878 [1,1,0,0,0,0|1,0,1]=4 1748 B9R0.47 C#CCNCC(N)C(O)=O Amb24524538 [1,1,0,0,0,0|1,0,1]=4 1749 B9R0.47 C#CCOCC(N)C(O)=O Amb25251552 [1,1,0,0,0,0|1,0,1]=4 1750 B9R0.47 C#CCSC[C@@H](N)C(O)=O Amb18792078 [1,1,0,0,0,0|1,0,1]=4 1751 B9R0.47 C#C\C=C\CC(N)C(O)=O Amb25147384 [1,1,0,0,0,0|1,0,1]=4 1752 B9R0.47 C=CCCCC(Cl)C(O)=O Amb18645742 [1,1,0,0,0,0|2,0,0]=4 1753 B9R0.47 C=CCCCC(N)C(O)=O Amb22002149 [1,1,0,0,0,0|1,0,0]=3 1754 B9R0.47 C=CCCC[C@@H](N)C(N)=O Amb25824644 [1,1,0,0,0,0|2,0,0]=4 1755 B9R0.47 C=CCCC[C@@H](N)C(O)=O Amb22831130 [1,1,0,0,0,0|1,0,0]=3 1756 B9R0.47 C=CCCC[C@@H](O)C(O)=O Amb24714998 [1,1,0,0,0,0|2,0,0]=4 1757 B9R0.47 C=CCCC[C@H](O)C(O)=O Amb24763769 [1,1,0,0,0,0|2,0,0]=4 1758 B9R0.47 C=CCCOC(F)C(O)=O Amb25683023 [1,1,0,0,0,0|2,0,0]=4 1759 B9R0.47 C=CCNCC(N)C(N)=O Amb25711533 [1,1,0,0,0,0|2,0,0]=4 1760 B9R0.47 C=CCNCC(O)C(O)=O Amb25344930 [1,1,0,0,0,0|2,0,0]=4 1761 B9R0.47 C=CCOCC(Cl)C(O)=O Amb24589021 [1,1,0,0,0,0|2,0,0]=4 1762 B9R0.47 C=CCOCC(O)C(O)=O Amb24655623 [1,1,0,0,0,0|2,0,0]=4 1763 B9R0.47 C=CCOC[C@H](N)C(O)=O Amb24713287 [1,1,0,0,0,0|1,0,0]=3 1764 B9R0.47 C=CCSCC(N)C(N)=O Amb25303041 [1,1,0,0,0,0|2,0,0]=4 1765 B9R0.47 C=CCSC[C@@H](N)C(O)=O Amb22745979 [1,1,0,0,0,0|1,0,0]=3 1766 B9R0.47 C=CCSC[C@H](N)C(O)=O Amb22231426 [1,1,0,0,0,0|1,0,0]=3 1767 B9R0.47 C=CCSC[C@H](N)C(O)=O Amb22231427 [1,1,0,0,0,0|1,0,0]=3 1768 B9R0.47 C=C\C=C\CC(N)C(O)=O Amb18643715 [1,1,0,0,0,0|1,0,1]=4 1769 B9R0.47 CC#CCC[C@@H](N)C(O)=O Amb25835847 [1,1,0,0,0,0|1,0,1]=4 1770 B9R0.47 CC(CCCC=C)C(O)=O Amb18643893 [1,1,0,0,0,0|2,0,0]=4 1771 B9R0.47 CC(CCCC=O)C(=O)Cl Amb24448943 [1,1,0,0,0,0|2,0,0]=4 1772 B9R0.47 CC(CCCC=O)C(C)=O Amb24478226 [1,1,0,0,0,0|2,0,0]=4 1773 B9R0.47 CC(CCOC=O)C(O)=O Amb18644245 [1,1,0,0,0,0|1,0,0]=3 1774 B9R0.47 CC(NCCC=C)C(O)=O Amb25309133 [1,1,0,0,0,0|2,0,0]=4 1775 B9R0.47 CC(OCCCO)C(O)=O Amb25132795 [1,1,0,0,0,0|1,0,1]=4 1776 B9R0.47 CC=C=CCC(N)C(O)=O Amb24427636 [1,1,0,0,0,0|1,0,1]=4 1777 B9R0.47 CCCCC[C@@H](N)C(O)=O Amb22745982 [1,1,0,0,0,0|1,0,1]=4 1778 B9R0.47 CCCCC[C@H](N)C(O)=O Amb17943098 [1,1,0,0,0,0|1,0,1]=4 1779 B9R0.47 CCCOCC(N)C(O)=O Amb24621740 [1,1,0,0,0,0|1,0,1]=4 1780 B9R0.47 CCCSC[C@@H](N)C(O)=O Amb18792511 [1,1,0,0,0,0|1,0,1]=4 1781 B9R0.47 CCSCCC(C(=O)O)N Amb2137050 [1,1,0,0,0,0|1,0,1]=4 1782 B9R0.47 CCSCCC(N)C(O)=O Amb22904200 [1,1,0,0,0,0|1,0,1]=4 1783 B9R0.47 CCSCC[C@@H](C(=O)O)N Amb17613844 [1,1,0,0,0,0|1,0,1]=4 1784 B9R0.47 CCSCC[C@H](C(=O)O)N Amb17613843 [1,1,0,0,0,0|1,0,1]=4 1785 B9R0.47 CC[Se]CCC(C(=O)O)N Amb17620056 [1,1,0,0,0,0|1,0,1]=4 1786 B9R0.47 CC\C=C\CC(N)C(O)=O Amb25255710 [1,1,0,0,0,0|1,0,1]=4 1787 B9R0.47 CC\C=C\C[C@H](N)C(O)=O Amb24617272 [1,1,0,0,0,0|1,0,1]=4 1788 B9R0.47 CNCCCC(N)C(O)=O Amb18644279 [1,1,0,0,0,0|1,0,1]=4 1789 B9R0.47 CNCCC[C@H](N)C(O)=O Amb24377155 [1,1,0,0,0,0|1,0,1]=4 1790 B9R0.47 CNOCCC(N)C(O)=O Amb24477008 [1,1,0,0,0,0|2,0,0]=4 1791 B9R0.47 COCCCC(N)C(C)=O Amb24628741 [1,1,0,0,0,0|1,0,1]=4 1792 B9R0.47 COCCCC(N)C(O)=O Amb20628315 [1,1,0,0,0,0|0,0,1]=3 1793 B9R0.47 COCCCC(N)C(O)=O Amb22058809 [1,1,0,0,0,0|0,0,1]=3 1794 B9R0.47 COCCC[C@@H](N)C(O)=O Amb25081508 [1,1,0,0,0,0|0,0,1]=3 1795 B9R0.47 COCCC[C@H](N)C(O)=O Amb25378737 [1,1,0,0,0,0|0,0,1]=3 1796 B9R0.47 COCSCC(N)C(O)=O Amb25287934 [1,1,0,0,0,0|1,0,1]=4 1797 B9R0.47 COCSC[C@@H](N)C(O)=O Amb25225221 [1,1,0,0,0,0|1,0,1]=4 1798 B9R0.47 COCSC[C@H](N)C(O)=O Amb25275942 [1,1,0,0,0,0|1,0,1]=4 1799 B9R0.47 CONCCC(N)C(O)=O Amb25311314 [1,1,0,0,0,0|1,0,0]=3 1800 B9R0.47 CSCCCC(C(=O)O)N Amb17594057 [1,1,0,0,0,0|0,1,1]=4 1801 B9R0.47 CSCSC[C@@H](N)C(O)=O Amb25360905 [1,1,0,0,0,0|2,0,0]=4 1802 B9R0.47 CSSCC[C@H](N)C(O)=O Amb25111241 [1,1,0,0,0,0|1,1,0]=4 1803 B9R0.47 C[C@@H](NCCC=C)C(O)=O Amb25702627 [1,1,0,0,0,0|2,0,0]=4 1804 B9R0.47 C[C@@H](OCCCO)C(O)=O Amb24692362 [1,1,0,0,0,0|1,0,1]=4 1805 B9R0.47 C[C@H](OCCCO)C(O)=O Amb25720488 [1,1,0,0,0,0|1,0,1]=4 1806 B9R0.47 C\C=C/SC[C@H](N)C(O)=O Amb24602399 [1,1,0,0,0,0|1,0,1]=4 1807 B9R0.47 C\C=C\SCC(N)C(O)=O Amb24355928 [1,1,0,0,0,0|1,0,1]=4 1808 B9R0.47 NC(CCCC#N)C(O)=O Amb25242567 [1,1,0,0,0,0|1,0,1]=4 1809 B9R0.47 NC(CCCCCl)C(O)=O Amb25141944 [1,1,0,0,0,0|1,0,1]=4 1810 B9R0.47 NC(CCCCS)C(O)=O Amb25363159 [1,1,0,0,0,0|0,1,1]=4 1811 B9R0.47 NC(CCCNO)C(O)=O Amb24722710 [1,1,0,0,0,0|0,0,1]=3 1812 B9R0.47 NC(CCC[13CH2][15NH2])C(O)=O Amb22351283 [1,1,0,0,0,0|1,0,1]=4 1813 B9R0.47 NC(CCNC=O)C(O)=O Amb24355941 [1,1,0,0,0,0|0,0,0]=2 1814 B9R0.47 NC(CCNCO)C(O)=O Amb25701616 [1,1,0,0,0,0|0,0,1]=3 1815 B9R0.47 NC(CCSCF)C(O)=O Amb24610565 [1,1,0,0,0,0|1,0,1]=4 1816 B9R0.47 NC(CNCCO)C(O)=O Amb25073329 [1,1,0,0,0,0|0,0,1]=3 1817 B9R0.47 NC(COCCCl)C(O)=O Amb18126477 [1,1,0,0,0,0|1,0,1]=4 1818 B9R0.47 NC(CSCCCl)C(O)=O Amb18129288 [1,1,0,0,0,0|1,0,1]=4 1819 B9R0.47 NC(CSCCF)C(O)=O Amb25054114 [1,1,0,0,0,0|1,0,1]=4 1820 B9R0.47 NC(CSCCO)C(N)=O Amb18788315 [1,1,0,0,0,0|1,0,1]=4 1821 B9R0.47 NC(C\C=C\CO)C(O)=O Amb25253501 [1,1,0,0,0,0|0,0,1]=3 1822 B9R0.47 NC(\C=C\CCO)C(O)=O Amb25228356 [1,1,0,0,0,0|0,0,2]=4 1823 B9R0.47 NCCCCC(N)C(O)=O Amb22349470 [1,1,0,0,0,0|1,0,1]=4 1824 B9R0.47 NCCCCC(N)C(O)=O Amb22489521 [1,1,0,0,0,0|1,0,1]=4 1825 B9R0.47 NCCCCC(N)[13C](O)=O Amb22338743 [1,1,0,0,0,0|1,0,1]=4 1826 B9R0.47 NCCCCC([15NH2])C(O)=O Amb22351358 [1,1,0,0,0,0|1,0,1]=4 1827 B9R0.47 NCCCC[13CH](N)C(O)=O Amb22351886 [1,1,0,0,0,0|1,0,1]=4 1828 B9R0.47 NCCCC[13CH](N)[13C](O)=O Amb22336528 [1,1,0,0,0,0|1,0,1]=4 1829 B9R0.47 NCCCC[C@@H](N)C(O)=O Amb22744766 [1,1,0,0,0,0|1,0,1]=4 1830 B9R0.47 NCCCC[C@@H](N)C(O)=O Amb22746247 [1,1,0,0,0,0|1,0,1]=4 1831 B9R0.47 NCCCC[C@@H](N)C(O)=O Amb22750565 [1,1,0,0,0,0|1,0,1]=4 1832 B9R0.47 NCCCC[C@H](C(=O)O)N Amb10072417 [1,1,0,0,0,0|1,0,1]=4 1833 B9R0.47 NCCCC[C@H]([15NH2])C(O)=O Amb22354049 [1,1,0,0,0,0|1,0,1]=4 1834 B9R0.47 NCCCO[C@H](N)C(O)=O Amb25111856 [1,1,0,0,0,0|1,0,1]=4 1835 B9R0.47 NCCCSC(N)C(O)=O Amb24443705 [1,1,0,0,0,0|1,0,1]=4 1836 B9R0.47 NCCNCC(N)C(O)=O Amb25032175 [1,1,0,0,0,0|1,0,1]=4 1837 B9R0.47 NCCNC[C@@H](N)C(O)=O Amb25147420 [1,1,0,0,0,0|1,0,1]=4 1838 B9R0.47 NCCNC[C@H](N)C(O)=O Amb24580529 [1,1,0,0,0,0|1,0,1]=4 1839 B9R0.47 NCCOC[C@@H](N)C(O)=O Amb22799590 [1,1,0,0,0,0|1,0,1]=4 1840 B9R0.47 NCCOC[C@@H](N)C(O)=O Amb25679129 [1,1,0,0,0,0|1,0,1]=4 1841 B9R0.47 NCCOC[C@H](N)C(O)=O Amb22231353 [1,1,0,0,0,0|1,0,1]=4 1842 B9R0.47 NCCSCC(N)C(O)=O Amb18126410 [1,1,0,0,0,0|1,0,1]=4 1843 B9R0.47 NCCSC[C@@H](N)C(O)=O Amb22800706 [1,1,0,0,0,0|1,0,1]=4 1844 B9R0.47 NCCSC[C@H](N)C(O)=O Amb22362775 [1,1,0,0,0,0|1,0,1]=4 1845 B9R0.47 NC\C=C\CC(N)C(O)=O Amb22800680 [1,1,0,0,0,0|1,0,1]=4 1846 B9R0.47 NC\C=C\C[C@H](N)C(O)=O Amb25339391 [1,1,0,0,0,0|1,0,1]=4 1847 B9R0.47 NNCCCC(N)C(O)=O Amb24378076 [1,1,0,0,0,0|1,0,1]=4 1848 B9R0.47 NNCCC[C@H](N)C(O)=O Amb24623157 [1,1,0,0,0,0|1,0,1]=4 1849 B9R0.47 NOCCCC(N)C(O)=O Amb24117962 [1,1,0,0,0,0|0,0,1]=3 1850 B9R0.47 N[13CH2]CCCC(N)C(O)=O Amb22367560 [1,1,0,0,0,0|1,0,1]=4 1851 B9R0.47 N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](O)=O Amb22337497 [1,1,0,0,0,0|1,0,1]=4 1852 B9R0.47 N[14CH2][14CH2][14CH2][14CH2][14CH](N)[14C](O)=O Amb22349598 [1,1,0,0,0,0|1,0,1]=4 1853 B9R0.47 N[C@@H](C(=O)O)CSCC=C Amb10843878 [1,1,0,0,0,0|1,0,0]=3 1854 B9R0.47 N[C@@H](CC#CCO)C(O)=O Amb24479056 [1,1,0,0,0,0|0,0,2]=4 1855 B9R0.47 N[C@@H](CCCCO)C(O)=O Amb22900800 [1,1,0,0,0,0|0,0,1]=3 1856 B9R0.47 N[C@@H](CCCCS)C(O)=O Amb25729289 [1,1,0,0,0,0|0,1,1]=4 1857 B9R0.47 N[C@@H](CCCC[NH3+])C(O)=O Amb22801419 [1,1,0,0,0,0|1,0,1]=4 1858 B9R0.47 N[C@@H](CCCNO)C(O)=O Amb25075377 [1,1,0,0,0,0|0,0,1]=3 1859 B9R0.47 N[C@@H](CCNC#N)C(O)=O Amb24505130 [1,1,0,0,0,0|1,0,1]=4 1860 B9R0.47 N[C@@H](CCNC=O)C(O)=O Amb24692356 [1,1,0,0,0,0|0,0,0]=2 1861 B9R0.47 N[C@@H](CCNCO)C(O)=O Amb24760325 [1,1,0,0,0,0|0,0,1]=3 1862 B9R0.47 N[C@@H](CCSC#N)C(O)=O Amb24482177 [1,1,0,0,0,0|1,0,1]=4 1863 B9R0.47 N[C@@H](CCSN=O)C(O)=O Amb24665147 [1,1,0,0,0,0|1,0,0]=3 1864 B9R0.47 N[C@@H](CNCCO)C(O)=O Amb25146307 [1,1,0,0,0,0|0,0,1]=3 1865 B9R0.47 N[C@@H](COCCO)C(O)=O Amb24479093 [1,1,0,0,0,0|0,0,1]=3 1866 B9R0.47 N[C@@H](CSCC#C)C(O)=O Amb17935864 [1,1,0,0,0,0|1,0,1]=4 1867 B9R0.47 N[C@@H](CSCC#N)C(O)=O Amb18179968 [1,1,0,0,0,0|1,0,1]=4 1868 B9R0.47 N[C@@H](CS\C=C\Cl)C(O)=O Amb24384379 [1,1,0,0,0,0|1,0,1]=4 1869 B9R0.47 N[C@H](CNCCO)C(O)=O Amb24617539 [1,1,0,0,0,0|0,0,1]=3 1870 B9R0.47 N[C@H](COCCCl)C(O)=O Amb24426914 [1,1,0,0,0,0|1,0,1]=4 1871 B9R0.47 N[C@H](CSCC#N)C(O)=O Amb25837533 [1,1,0,0,0,0|1,0,1]=4 1872 B9R0.47 N[C@H](\C=C\CCO)C(O)=O Amb24603441 [1,1,0,0,0,0|0,0,2]=4 1873 B9R0.47 O=CCCCC(C(=O)O)N Amb17619026 [1,1,0,0,0,0|0,0,0]=2 1874 B9R0.47 OC(=O)C(=O)CCCC=O Amb25789953 [1,1,0,0,0,0|1,0,1]=4 1875 B9R0.47 OC(CCNC=O)C(O)=O Amb24480985 [1,1,0,0,0,0|1,0,0]=3 1876 B9R0.47 OCCCCC(O)C(O)=O Amb18644356 [1,1,0,0,0,0|1,0,1]=4 1877 B9R0.47 OCCCC[C@H](O)C(O)=O Amb24480682 [1,1,0,0,0,0|1,0,1]=4 1878 B9R0.47 OCCCSC(F)C(O)=O Amb24659088 [1,1,0,0,0,0|1,0,1]=4 1879 B9R0.47 OCCNC[C@H](O)C(O)=O Amb25316160 [1,1,0,0,0,0|1,0,1]=4 1880 B9R0.47 OCCSCC(O)C(O)=O Amb25211640 [1,1,0,0,0,0|1,0,1]=4 1881 B9R0.47 O[C@@H](CCNC=O)C(O)=O Amb24481075 [1,1,0,0,0,0|1,0,0]=3 1882 B9R0.47 [15NH2]CCCCC([15NH2])C(O)=O Amb22363194 [1,1,0,0,0,0|1,0,1]=4 1883 B9R0.47 [15NH2]CCCC[C@H]([15NH2])C(O)=O Amb22353587 [1,1,0,0,0,0|1,0,1]=4 1884 B9R0.47 [2H][13CH2]SCC[C@H](N)C(O)=O Amb22337395 [1,1,0,0,0,0|1,0,1]=4 1885 B9R0.47 [N-]=[N+]=NCCC(N)C(O)=O Amb25766449 [1,1,0,0,0,0|2,0,0]=4 1886 B9R0.47 [N-]=[N+]=NCC[C@@H](C(=O)O)N Amb16183915 [1,1,0,0,0,0|2,0,0]=4 1887 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(O)=O Amb19130389 [1,1,0,0,0,0|2,0,0]=4 1888 B9R0.51 C=CCCC(Cl)(Cl)C(O)=O Amb24692869 [1,1,0,0,0,0|2,0,0]=4 1889 B9R0.51 CC(=O)C(C)(C)CCC=O Amb25759012 [1,1,0,0,0,0|2,0,0]=4 1890 B9R0.51 CC(C)(CCC=C)C(O)=O Amb22228237 [1,1,0,0,0,0|2,0,0]=4 1891 B9R0.51 CC(N)(CCC=C)C(O)=O Amb24524526 [1,1,0,0,0,0|1,0,0]=3 1892 B9R0.51 CC(N)(CCCN)C(O)=O Amb18644277 [1,1,0,0,0,0|1,0,1]=4 1893 B9R0.51 CC(N)(CCCO)C(N)=O Amb24353259 [1,1,0,0,0,0|1,0,1]=4 1894 B9R0.51 CC(N)(CCCO)C(O)=O Amb24061058 [1,1,0,0,0,0|0,0,1]=3 1895 B9R0.51 CCCC[C@@](C)(N)C(O)=O Amb19929613 [1,1,0,0,0,0|1,0,1]=4 1896 B9R0.51 COCCC(C)(N)C(O)=O Amb23580585 [1,1,0,0,0,0|2,0,0]=4 1897 B9R0.51 COCC[C@@](C)(N)C(O)=O Amb24664972 [1,1,0,0,0,0|2,0,0]=4 1898 B9R0.51 CSCC[C@@](C)(N)C(O)=O Amb24482190 [1,1,0,0,0,0|2,0,0]=4 1899 B9R0.51 C[C@](N)(CCC=C)C(O)=O Amb24478852 [1,1,0,0,0,0|1,0,0]=3 1900 B9R0.51 C[C@](N)(CCCN)C(O)=O Amb24480786 [1,1,0,0,0,0|1,0,1]=4 1901 B9R0.51 C\C=C\C[C@@](C)(N)C(O)=O Amb25147509 [1,1,0,0,0,0|1,0,1]=4 1902 B9R0.51 NC(N)(CCCO)C(O)=O Amb25300624 [1,1,0,0,0,0|0,0,1]=3 1903 B9R0.51 OC(=O)C(F)(F)CNC=O Amb25117561 [1,1,0,0,0,0|2,0,0]=4 1904 B9R0.51 OCCCC(F)(F)C(O)=O Amb24652882 [1,1,0,0,0,0|1,0,1]=4 1905 B9R0.51 [2H]C(N)(CCSC)C(O)=O Amb22367539 [1,1,0,0,0,0|2,0,0]=4 1906 B9R0.21 CS(=O)(=O)CCC(N)C=O Amb24712026 [1,1,0,0,0,0|1,0,1]=4 1907 B9R0.21 CS(=O)(=O)CC[C@H](N)C=O Amb25808565 [1,1,0,0,0,0|1,0,1]=4 1908 B9R0.21 OC(CCP(O)(O)=O)C=O Amb24722059 [1,1,0,0,0,0|2,0,0]=4 1909 B9R0.23 CC(C=C)C(C)CC(O)=O Amb18643924 [1,1,0,0,0,0|2,0,0]=4 1910 B9R0.23 CC(CC(O)=O)C(N)CC Amb25820735 [1,1,0,0,0,0|1,0,1]=4 1911 B9R0.23 CC(CC(O)=O)N(C)C=O Amb24670439 [1,1,0,0,0,0|2,0,0]=4 1912 B9R0.23 C[C@@H](C=C)[C@H](C)CC(O)=O Amb25843885 [1,1,0,0,0,0|2,0,0]=4 1913 B9R0.23 N[C@@H](CC(O)=O)[C@@H](N)CO Amb25788533 [1,1,0,0,0,0|0,0,1]=3 1914 B9R0.23 OC[C@@H](O)[C@@H](O)CC(O)=O Amb24509722 [1,1,0,0,0,0|1,0,1]=4 1915 B9R0.23 OC[C@@H](O)[C@H](O)CC(O)=O Amb25258026 [1,1,0,0,0,0|1,0,1]=4 1916 B9R0.23 OC[C@H](O)[C@H](O)CC(O)=O Amb24726353 [1,1,0,0,0,0|1,0,1]=4 1917 B9R0.24 CCC(=O)CC[C@@H](C)C=O Amb24478247 [1,1,0,0,0,0|2,0,0]=4 1918 B9R0.24 COC(=O)CCC(Br)C=O Amb24680272 [1,1,0,0,0,0|1,0,0]=3 1919 B9R0.24 COC(=O)CCC(C)C=O Amb18644121 [1,1,0,0,0,0|1,0,0]=3 1920 B9R0.24 COC(=O)CCC(N)C#C Amb24433501 [1,1,0,0,0,0|1,0,1]=4 1921 B9R0.24 COC(=O)CCC(N)C=C Amb18124639 [1,1,0,0,0,0|1,0,0]=3 1922 B9R0.24 COC(=O)CCC(N)CF Amb24517084 [1,1,0,0,0,0|1,0,1]=4 1923 B9R0.24 COC(=O)CCC(O)C=C Amb25127861 [1,1,0,0,0,0|2,0,0]=4 1924 B9R0.24 COC(=O)CCC(O)CO Amb25204294 [1,1,0,0,0,0|1,0,1]=4 1925 B9R0.24 COC(=O)CC[C@@H](C)C=O Amb25104821 [1,1,0,0,0,0|1,0,0]=3 1926 B9R0.24 COC(=O)CC[C@H](Cl)C=O Amb25100997 [1,1,0,0,0,0|1,0,0]=3 1927 B9R0.24 COC(=O)CC[C@H](N)C#C Amb25147453 [1,1,0,0,0,0|1,0,1]=4 1928 B9R0.24 COC(=O)CC[C@H](O)C=C Amb24481290 [1,1,0,0,0,0|2,0,0]=4 1929 B9R0.43 CC(=O)CCC(C=C)C=O Amb24619623 [1,1,0,0,0,0|2,0,0]=4 1930 B9R0.43 CCC(CCC(C)=O)C=O Amb18643911 [1,1,0,0,0,0|2,0,0]=4 1931 B9R0.43 CCC(CCC(O)=O)C=O Amb25378745 [1,1,0,0,0,0|1,0,0]=3 1932 B9R0.43 CCC(CCC(O)=O)NN Amb24478238 [1,1,0,0,0,0|1,0,1]=4 1933 B9R0.43 CCN(CCC(O)=O)C=O Amb19010092 [1,1,0,0,0,0|2,0,0]=4 1934 B9R0.43 CC[C@@H](CCC(C)=O)C=O Amb24573990 [1,1,0,0,0,0|2,0,0]=4 1935 B9R0.43 CC[C@@H](CCC(O)=O)NN Amb24640349 [1,1,0,0,0,0|1,0,1]=4 1936 B9R0.43 CN[C@H](CS)CCC(O)=O Amb24482183 [1,1,0,0,0,0|0,1,1]=4 1937 B9R0.43 CO[C@H](CN)CCC(O)=O Amb24544386 [1,1,0,0,0,0|2,0,0]=4 1938 B9R0.43 NCC(CCC(O)=O)=NO Amb24591142 [1,1,0,0,0,0|1,0,1]=4 1939 B9R0.43 NCC(CCC(O)=O)CN Amb25062561 [1,1,0,0,0,0|1,0,1]=4 1940 B9R0.48 C=C=C[C@@H](N)CCC(O)=O Amb24480739 [1,1,0,0,0,0|1,0,0]=3 1941 B9R0.48 C=CCC(N)CCC(O)=O Amb25132628 [1,1,0,0,0,0|1,0,0]=3 1942 B9R0.48 C=CC[C@@H](N)CCC(O)=O Amb25308063 [1,1,0,0,0,0|1,0,0]=3 1943 B9R0.48 CC(CCC(O)=O)NC=O Amb24602293 [1,1,0,0,0,0|1,0,0]=3 1944 B9R0.48 CCCC(CCC(=O)O)N Amb1014101 [1,1,0,0,0,0|1,0,1]=4 1945 B9R0.48 CCC[C@H](N)CCC(O)=O Amb25211817 [1,1,0,0,0,0|1,0,1]=4 1946 B9R0.48 COCC(C)CCC(O)=O Amb25340432 [1,1,0,0,0,0|1,0,1]=4 1947 B9R0.48 C[C@@H](CC=O)CCC(O)=O Amb24505022 [1,1,0,0,0,0|1,0,0]=3 1948 B9R0.48 C\C(\CCC(O)=O)=C/CO Amb25694396 [1,1,0,0,0,0|1,0,1]=4 1949 B9R0.48 C\C=C\C(O)CCC(O)=O Amb25275755 [1,1,0,0,0,0|2,0,0]=4 1950 B9R0.48 C\C=C\[C@H](O)CCC(O)=O Amb24538051 [1,1,0,0,0,0|2,0,0]=4 1951 B9R0.48 NC(CC#N)CCC(O)=O Amb24595715 [1,1,0,0,0,0|1,0,1]=4 1952 B9R0.48 NC(CCC(O)=O)=CC#N Amb24459243 [1,1,0,0,0,0|1,0,1]=4 1953 B9R0.48 NC(CCS)CCC(O)=O Amb24453471 [1,1,0,0,0,0|0,1,1]=4 1954 B9R0.48 NN(CCO)CCC(O)=O Amb25259231 [1,1,0,0,0,0|1,0,1]=4 1955 B9R0.48 N[C@@H](CCO)CCC(O)=O Amb25756968 [1,1,0,0,0,0|0,0,1]=3 1956 B9R0.48 N[C@H](CC#N)CCC(O)=O Amb24541852 [1,1,0,0,0,0|1,0,1]=4 1957 B9R0.48 N\C(\CCC(O)=O)=C/C#N Amb24053667 [1,1,0,0,0,0|1,0,1]=4 1958 B9R0.48 O/N=C/C(=O)CCC(O)=O Amb17689278 [1,1,0,0,0,0|1,0,1]=4 1959 B9R0.48 OC(=O)CCC(=O)CC=O Amb18644074 [1,1,0,0,0,0|1,0,1]=4 1960 B9R0.48 OCC[C@H](O)CCC(O)=O Amb25843738 [1,1,0,0,0,0|1,0,1]=4 1961 B9R0.64 CC(=O)CCC(C)(C)C=O Amb18643910 [1,1,0,0,0,0|2,0,0]=4 1962 B9R0.64 CC(C)(CCC(O)=O)C=O Amb18644118 [1,1,0,0,0,0|1,0,0]=3 1963 B9R0.64 CC(C)(CCC(O)=O)N=O Amb24428514 [1,1,0,0,0,0|2,0,0]=4 1964 B9R0.64 CC(Cl)(CCC(O)=O)N=O Amb24423829 [1,1,0,0,0,0|2,0,0]=4 1965 B9R0.64 CC(O)(CCC(O)=O)CO Amb25108439 [1,1,0,0,0,0|1,0,1]=4 1966 B9R0.1 C#CC(=O)CCCC(=O)Cl Amb24523161 [1,1,0,0,0,0|2,0,0]=4 1967 B9R0.1 C=CC(=O)OCCC(O)=O Amb18644058 [1,1,0,0,0,0|2,0,0]=4 1968 B9R0.1 C=CC(O)CCCC(O)=O Amb25137244 [1,1,0,0,0,0|1,0,1]=4 1969 B9R0.1 C=C[C@@H](O)CCCC(O)=O Amb24352126 [1,1,0,0,0,0|1,0,1]=4 1970 B9R0.1 CC(=O)CCCC(=O)CC Amb24093547 [1,1,0,0,0,0|2,0,0]=4 1971 B9R0.1 CC(=O)CCCC(=O)NC Amb25790088 [1,1,0,0,0,0|2,0,0]=4 1972 B9R0.1 CC(=O)CCOC(=O)CO Amb24482823 [1,1,0,0,0,0|2,0,0]=4 1973 B9R0.1 CC(CCCC(O)=O)CO Amb25068017 [1,1,0,0,0,0|1,0,1]=4 1974 B9R0.1 CCC(=O)NCCC(=O)O Amb1120326 [1,1,0,0,0,0|2,0,0]=4 1975 B9R0.1 CCC(O)CCCC(O)=O Amb18644263 [1,1,0,0,0,0|1,0,1]=4 1976 B9R0.1 CCS(=O)CCCC(O)=O Amb18788302 [1,1,0,0,0,0|2,0,0]=4 1977 B9R0.1 CN(CCCC(O)=O)C=O Amb19010086 [1,1,0,0,0,0|2,0,0]=4 1978 B9R0.1 CNC(=O)CCCC(N)=O Amb24746424 [1,1,0,0,0,0|2,0,0]=4 1979 B9R0.1 CNC(=O)CCCC([O-])=O Amb24271120 [1,1,0,0,0,0|1,0,1]=4 1980 B9R0.1 CNC(=O)COCC(=O)O Amb17232024 [1,1,0,0,0,0|2,0,0]=4 1981 B9R0.1 CNC(=O)NCCC(=O)O Amb1127025 [1,1,0,0,0,0|2,0,0]=4 1982 B9R0.1 CNC(=O)SCCC(O)=O Amb25240640 [1,1,0,0,0,0|2,0,0]=4 1983 B9R0.1 COC(=O)CCCB(O)O Amb25676456 [1,1,0,0,0,0|1,0,1]=4 1984 B9R0.1 COC(=O)CCCC(=C)Br Amb24717516 [1,1,0,0,0,0|2,0,0]=4 1985 B9R0.1 COC(=O)CCCC(C)=O Amb17846860 [1,1,0,0,0,0|1,0,0]=3 1986 B9R0.1 COC(=O)CCCC(C)O Amb24414468 [1,1,0,0,0,0|1,0,1]=4 1987 B9R0.1 COC(=O)CCCC(N)=N Amb24410040 [1,1,0,0,0,0|2,0,0]=4 1988 B9R0.1 COC(=O)CCCC(N)=S Amb25360938 [1,1,0,0,0,0|1,1,0]=4 1989 B9R0.1 COC(=O)CCCS(C)=O Amb18788307 [1,1,0,0,0,0|2,0,0]=4 1990 B9R0.1 COC(=O)CCC[N+](=O)[O-] Amb1073683 [1,1,0,0,0,0|1,0,1]=4 1991 B9R0.1 COC(=O)CCNC(=O)C Amb15691935 [1,1,0,0,0,0|2,0,0]=4 1992 B9R0.1 COC(=O)CCNC(N)=O Amb22740124 [1,1,0,0,0,0|2,0,0]=4 1993 B9R0.1 COC(=O)COCC(N)=O Amb25734268 [1,1,0,0,0,0|2,0,0]=4 1994 B9R0.1 COC(=O)COCC(O)=O Amb25305044 [1,1,0,0,0,0|1,0,0]=3 1995 B9R0.1 COC(=O)CSCC(=O)C Amb2444691 [1,1,0,0,0,0|2,0,0]=4 1996 B9R0.1 COC(=O)CSCC(N)=O Amb18800701 [1,1,0,0,0,0|2,0,0]=4 1997 B9R0.1 COC(=O)C\C=C\C(O)=O Amb25132100 [1,1,0,0,0,0|0,0,2]=4 1998 B9R0.1 COC(=O)NCCC(N)=O Amb24459803 [1,1,0,0,0,0|2,0,0]=4 1999 B9R0.1 COC(=O)NNCC(O)=O Amb25317249 [1,1,0,0,0,0|2,0,0]=4 2000 B9R0.1 COC(C)CCCC(O)=O Amb25728362 [1,1,0,0,0,0|1,0,1]=4 2001 B9R0.1 CO[13C](=O)CCC[13C](=O)O Amb17618084 [1,1,0,0,0,0|0,0,0]=2 2002 B9R0.1 CO[13C](=O)CCC[13C](=O)[13CH3] Amb17617715 [1,1,0,0,0,0|1,0,0]=3 2003 B9R0.1 C\C(\CCCC(O)=O)=C\C Amb25063828 [1,1,0,0,0,0|2,0,0]=4 2004 B9R0.1 NC(=O)CCNC(=O)CO Amb25739339 [1,1,0,0,0,0|2,0,0]=4 2005 B9R0.1 NC(=O)NCCC(=O)NO Amb25796572 [1,1,0,0,0,0|2,0,0]=4 2006 B9R0.1 NC(CCCC(O)=O)=NO Amb24383149 [1,1,0,0,0,0|1,0,0]=3 2007 B9R0.1 NC(CCCC(O)=O)C=O Amb25075707 [1,1,0,0,0,0|1,0,1]=4 2008 B9R0.1 NCC(=O)CCCC(O)=O Amb18202122 [1,1,0,0,0,0|1,0,0]=3 2009 B9R0.1 NCC(=O)CCCC(O)=O Amb22035333 [1,1,0,0,0,0|1,0,0]=3 2010 B9R0.1 NNC(=O)CCCC(O)=O Amb25809648 [1,1,0,0,0,0|1,0,0]=3 2011 B9R0.1 NNC(=O)COCC(O)=O Amb25133545 [1,1,0,0,0,0|2,0,0]=4 2012 B9R0.1 NNC(=O)SCCC(O)=O Amb24482179 [1,1,0,0,0,0|2,0,0]=4 2013 B9R0.1 O=NN(CCCC(=O)O)C Amb17618588 [1,1,0,0,0,0|2,0,0]=4 2014 B9R0.1 OC(=O)CCCN(O)C=O Amb25320259 [1,1,0,0,0,0|1,0,0]=3 2015 B9R0.1 OC(=O)CCNC(=O)CBr Amb17609911 [1,1,0,0,0,0|2,0,0]=4 2016 B9R0.1 OC(=O)CCNC(=O)CO Amb24478846 [1,1,0,0,0,0|1,0,0]=3 2017 B9R0.1 OC(=O)CCNC(=O)CS Amb24754483 [1,1,0,0,0,0|1,1,0]=4 2018 B9R0.1 OC(=O)CN\C=C(/O)\C=O Amb25147598 [1,1,0,0,0,0|1,0,1]=4 2019 B9R0.53 C=C(CC(O)=O)CC(O)=O Amb18644057 [1,1,0,0,0,0|0,0,1]=3 2020 B9R0.53 CC(=C)CC(C)CC(O)=O Amb18643943 [1,1,0,0,0,0|2,0,0]=4 2021 B9R0.53 CC(=O)CC(=O)CC(O)=O Amb18644062 [1,1,0,0,0,0|1,0,1]=4 2022 B9R0.53 CC(=O)CC(C)CC(O)=O Amb18644106 [1,1,0,0,0,0|1,0,0]=3 2023 B9R0.53 CC(=O)C[C@@H](CC(=O)O)C Amb10844399 [1,1,0,0,0,0|1,0,0]=3 2024 B9R0.53 CC(=O)OC(C)CC(O)=O Amb18644244 [1,1,0,0,0,0|2,0,0]=4 2025 B9R0.53 CC(=O)O[C@H](C)CC(O)=O Amb25062672 [1,1,0,0,0,0|2,0,0]=4 2026 B9R0.53 CC(CC(O)=O)=CC(O)=O Amb24556420 [1,1,0,0,0,0|0,0,2]=4 2027 B9R0.53 CC(CC(O)=O)CC(N)=O Amb19034796 [1,1,0,0,0,0|1,0,0]=3 2028 B9R0.53 CC(CC(O)=O)C[N+]([O-])=O Amb25142280 [1,1,0,0,0,0|1,0,1]=4 2029 B9R0.53 CN(CC(=O)O)CC(=O)O Amb1156001 [1,1,0,0,0,0|1,0,0]=3 2030 B9R0.53 CN(O)CC(O)CC(O)=O Amb24611959 [1,1,0,0,0,0|2,0,0]=4 2031 B9R0.53 CS(=O)CC(N)CC(O)=O Amb25766509 [1,1,0,0,0,0|2,0,0]=4 2032 B9R0.53 CS(=O)C[C@@H](N)CC(O)=O Amb25321945 [1,1,0,0,0,0|2,0,0]=4 2033 B9R0.53 N=C(CC(O)=O)CC(O)=O Amb25703517 [1,1,0,0,0,0|0,0,1]=3 2034 B9R0.53 NC(=O)CC(O)CC(O)=O Amb25147276 [1,1,0,0,0,0|1,0,0]=3 2035 B9R0.53 NC(=O)CS(=O)CC(O)=O Amb19007093 [1,1,0,0,0,0|2,0,0]=4 2036 B9R0.53 NC(CC(=O)O)CC(=O)O Amb16184013 [1,1,0,0,0,0|0,0,0]=2 2037 B9R0.53 OC(=O)C=C(Br)CC(O)=O Amb24573499 [1,1,0,0,0,0|0,0,2]=4 2038 B9R0.53 OC(=O)CC(Cl)CC(O)=O Amb18126464 [1,1,0,0,0,0|0,0,0]=2 2039 B9R0.53 OC(=O)CN(Br)CC(O)=O Amb25277216 [1,1,0,0,0,0|1,0,0]=3 2040 B9R0.53 OC(=O)CN(Cl)CC(O)=O Amb24482142 [1,1,0,0,0,0|1,0,0]=3 2041 B9R0.53 OC(=O)C[C@@H](NC(=O)C)C Amb2372568 [1,1,0,0,0,0|2,0,0]=4 2042 B9R0.53 OC(=O)C[C@H](NC(=O)C)C Amb2372567 [1,1,0,0,0,0|2,0,0]=4 2043 B9R0.53 OC(=O)\C=C(/Br)\CC(O)=O Amb25123824 [1,1,0,0,0,0|0,0,2]=4 2044 B9R0.53 OC(CC(=O)O)CC(=O)O Amb17615401 [1,1,0,0,0,0|0,0,0]=2 2045 B9R0.53 ON(CC(O)=O)CC(O)=O Amb25062474 [1,1,0,0,0,0|1,0,0]=3 2046 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb23453377 [1,1,0,0,0,0|1,0,0]=3 2047 B9R0.53 [NH3+]N(CC(O)=O)CC(O)=O Amb24121533 [1,1,0,0,0,0|1,0,0]=3 2048 B9R0.56 CC(C)(O)CCCC(O)=O Amb24340189 [1,1,0,0,0,0|1,0,1]=4 2049 B9R0.56 CP(O)(=O)CCCC(O)=O Amb24524573 [1,1,0,0,0,0|1,0,0]=3 2050 B9R0.56 CP(O)(=O)CNCC(O)=O Amb25772534 [1,1,0,0,0,0|2,0,0]=4 2051 B9R0.56 OC(=O)CCCP(O)(O)=O Amb17671941 [1,1,0,0,0,0|1,0,0]=3 2052 B9R0.56 OC(=O)CCCS(=O)(=O)C Amb17503668 [1,1,0,0,0,0|1,0,1]=4 2053 B9R0.56 OC(=O)CCNS(O)(=O)=O Amb24479473 [1,1,0,0,0,0|2,0,0]=4 2054 B9R0.56 OC(=O)CCOP(O)(O)=O Amb24482464 [1,1,0,0,0,0|2,0,0]=4 2055 B9R0.56 OC(=O)CCOS(O)(=O)=O Amb24482181 [1,1,0,0,0,0|2,0,0]=4 2056 B9R0.56 OC(=O)CCSP(O)(O)=O Amb24482326 [1,1,0,0,0,0|2,0,0]=4 2057 B9R0.56 OC(=O)CNCP(O)(=O)=O Amb25282213 [1,1,0,0,0,0|2,0,0]=4 2058 B9R0.56 OC(=O)CNCP(O)(O)=O Amb21618824 [1,1,0,0,0,0|2,0,0]=4 2059 B9R0.56 OC(=O)CN[13CH2]P(O)(O)=O Amb22367405 [1,1,0,0,0,0|2,0,0]=4 2060 B9R0.56 O[13C](=O)[13CH2][15NH]CP(=O)(O)O Amb17614840 [1,1,0,0,0,0|2,0,0]=4 2061 B9R0.56 [O-]P(O)(=O)CSCC(O)=O Amb22453470 [1,1,0,0,0,0|2,0,0]=4 2062 B9R0.10 CC(CC(O)=O)P(C)(O)=O Amb25059136 [0,1,0,0,1,0|2,0,0]=4 2063 B9R0.10 C[C@H](CC(O)=O)S(O)(=O)=O Amb25210783 [0,1,0,0,1,0|2,0,0]=4 2064 B9R0.10 NC(CC(N)=O)P(O)(O)=O Amb24429099 [0,1,0,0,1,0|2,0,0]=4 2065 B9R0.10 N[C@@H](CC(N)=O)P(O)(O)=O Amb25069249 [0,1,0,0,1,0|2,0,0]=4 2066 B9R0.10 N[C@@H](CC(O)=O)P(O)(O)=O Amb25322981 [0,1,0,0,1,0|1,0,0]=3 2067 B9R0.11 CC(=C)C(C)(N)CC(O)=O Amb22641962 [0,1,0,0,1,0|2,0,0]=4 2068 B9R0.11 CC(=O)C(C)(Br)CC(O)=O Amb24682759 [0,1,0,0,1,0|2,0,0]=4 2069 B9R0.11 CC(=O)C(C)(O)CC(O)=O Amb25733298 [0,1,0,0,1,0|2,0,0]=4 2070 B9R0.11 CC(=O)CC(C)(C)C(O)=O Amb18644092 [0,1,0,0,1,0|2,0,0]=4 2071 B9R0.11 CC(C)(CC(=O)Cl)C(O)=O Amb25211275 [0,1,0,0,1,0|2,0,0]=4 2072 B9R0.11 CC(C)(CC(N)=O)C(O)=O Amb24721912 [0,1,0,0,1,0|2,0,0]=4 2073 B9R0.11 CC(Cl)(CC(O)=O)C(O)=O Amb18126463 [0,1,0,0,1,0|1,0,0]=3 2074 B9R0.11 CC(N)(CC(N)=O)C(N)=O Amb24436628 [0,1,0,0,1,0|2,0,0]=4 2075 B9R0.11 CC(N)(CC(O)=O)C(O)=O Amb22800383 [0,1,0,0,1,0|0,0,0]=2 2076 B9R0.11 CC(N)(CC(O)=O)P(O)=O Amb25701546 [0,1,0,0,1,0|1,0,0]=3 2077 B9R0.11 CC(O)(CC(N)=O)C(O)=O Amb24744548 [0,1,0,0,1,0|2,0,0]=4 2078 B9R0.11 CC(O)(CC(O)=O)C(N)=O Amb24669300 [0,1,0,0,1,0|2,0,0]=4 2079 B9R0.11 CC(O)(CC(O)=O)C(O)=O Amb22352645 [0,1,0,0,1,0|1,0,0]=3 2080 B9R0.11 CC(S)(CC(O)=O)C(O)=O Amb25053889 [0,1,0,0,1,0|1,0,0]=3 2081 B9R0.11 C[C@@](N)(CC(=C)F)C(O)=O Amb24479080 [0,1,0,0,1,0|2,0,0]=4 2082 B9R0.11 C[C@@](N)(CC(N)=O)C(O)=O Amb22225025 [0,1,0,0,1,0|1,0,0]=3 2083 B9R0.11 C[C@@](O)(CC(O)=O)C(O)=O Amb22336254 [0,1,0,0,1,0|1,0,0]=3 2084 B9R0.11 NC(=O)C(F)(F)CC(O)=O Amb25109736 [0,1,0,0,1,0|2,0,0]=4 2085 B9R0.11 NC(N)(CC(O)=O)C(O)=O Amb24460545 [0,1,0,0,1,0|0,0,0]=2 2086 B9R0.11 OC(=O)C(O)(F)CC(O)=O Amb25798979 [0,1,0,0,1,0|1,0,0]=3 2087 B9R0.11 OC(=O)C(S)(S)CC(O)=O Amb22230560 [0,1,0,0,1,0|1,0,0]=3 2088 B9R0.11 OC(=O)CC(C(=O)O)(N)C Amb10807406 [0,1,0,0,1,0|0,0,0]=2 2089 B9R0.11 OC(=O)CC(C(=O)O)(O)O Amb16232015 [0,1,0,0,1,0|1,0,0]=3 2090 B9R0.11 OC(=O)C[C@@](C(=O)O)(N)C Amb10601663 [0,1,0,0,1,0|0,0,0]=2 2091 B9R0.11 OC(=O)C[C@](C(=O)O)(N)C Amb10601664 [0,1,0,0,1,0|0,0,0]=2 2092 B9R0.11 OC(=O)C[C@](C(=O)O)(N)C Amb17608152 [0,1,0,0,1,0|0,0,0]=2 2093 B9R0.39 C=NC(CC(O)=O)C(O)=O Amb24350770 [0,1,0,0,1,0|0,0,1]=3 2094 B9R0.39 CC(=O)C(CC(O)=O)CC Amb24410015 [0,1,0,0,1,0|2,0,0]=4 2095 B9R0.39 CC(=O)C(CC(O)=O)NC Amb18611382 [0,1,0,0,1,0|1,0,0]=3 2096 B9R0.39 CC(=O)CC(CC)C(O)=O Amb18644109 [0,1,0,0,1,0|2,0,0]=4 2097 B9R0.39 CC(=O)CC(NC)C(O)=O Amb25690263 [0,1,0,0,1,0|1,0,0]=3 2098 B9R0.39 CC(=O)N[C@@H](CN)C(O)=O Amb24479068 [0,1,0,0,1,0|2,0,0]=4 2099 B9R0.39 CC(=O)OC(CN)C(O)=O Amb25082692 [0,1,0,0,1,0|2,0,0]=4 2100 B9R0.39 CC(O)C(CC(O)=O)NC Amb24400678 [0,1,0,0,1,0|1,0,1]=4 2101 B9R0.39 CCC(C(=O)O)CC(=O)O Amb10071696 [0,1,0,0,1,0|1,0,0]=3 2102 B9R0.39 CCC(CP(O)=O)C(O)=O Amb24482481 [0,1,0,0,1,0|2,0,0]=4 2103 B9R0.39 CC[C@H](CC(O)=O)C(O)=O Amb24643194 [0,1,0,0,1,0|1,0,0]=3 2104 B9R0.39 CNC(C(=O)O)CC(=O)O Amb1905634 [0,1,0,0,1,0|0,0,0]=2 2105 B9R0.39 CNC(CC(N)=O)C(N)=O Amb25680930 [0,1,0,0,1,0|2,0,0]=4 2106 B9R0.39 CNC(CC(N)=O)C(O)=O Amb18644255 [0,1,0,0,1,0|1,0,0]=3 2107 B9R0.39 CNC(CS(O)=O)C(O)=O Amb25765774 [0,1,0,0,1,0|1,0,0]=3 2108 B9R0.39 CN[C@@H](CC(O)=O)C(O)=O Amb22748003 [0,1,0,0,1,0|0,0,0]=2 2109 B9R0.39 CN[C@@H](CS(O)=O)C(O)=O Amb24482415 [0,1,0,0,1,0|1,0,0]=3 2110 B9R0.39 COC(CC(O)=O)C(N)=O Amb23536075 [0,1,0,0,1,0|2,0,0]=4 2111 B9R0.39 COC(CC(O)=O)C(O)=O Amb18124863 [0,1,0,0,1,0|1,0,0]=3 2112 B9R0.39 CO[C@@H](CC(O)=O)C(O)=O Amb25122107 [0,1,0,0,1,0|1,0,0]=3 2113 B9R0.39 CSC(CC(N)=O)C(O)=O Amb25694730 [0,1,0,0,1,0|2,0,0]=4 2114 B9R0.39 CSC(CC(O)=O)C(O)=O Amb18646024 [0,1,0,0,1,0|1,0,0]=3 2115 B9R0.39 CS[C@@H](CC(O)=O)C(O)=O Amb25191487 [0,1,0,0,1,0|1,0,0]=3 2116 B9R0.39 CS[C@H](CC(N)=O)C(O)=O Amb25101496 [0,1,0,0,1,0|2,0,0]=4 2117 B9R0.39 CS[C@H](CC(O)=O)C(O)=O Amb24423669 [0,1,0,0,1,0|1,0,0]=3 2118 B9R0.39 C[C@H](O)[C@@H](CC(O)=O)NC Amb24460369 [0,1,0,0,1,0|1,0,1]=4 2119 B9R0.39 C\C=C(\CC(O)=O)/C(O)=O Amb25292254 [0,1,0,0,1,0|1,0,1]=4 2120 B9R0.39 N#CC(CC(O)=O)C(O)=O Amb24434922 [0,1,0,0,1,0|0,0,1]=3 2121 B9R0.39 NC(=O)N[C@@H](CN)C(O)=O Amb25083442 [0,1,0,0,1,0|2,0,0]=4 2122 B9R0.39 NC(=O)N[C@H](CN)C(O)=O Amb24478873 [0,1,0,0,1,0|2,0,0]=4 2123 B9R0.39 NCC(CC(O)=O)C(O)=O Amb22546423 [0,1,0,0,1,0|0,0,0]=2 2124 B9R0.39 NCC(CC(O)=O)C(O)=O Amb24538047 [0,1,0,0,1,0|0,0,0]=2 2125 B9R0.39 NC[C@H](CC(O)=O)C(O)=O Amb25147272 [0,1,0,0,1,0|0,0,0]=2 2126 B9R0.39 NN[C@@H](CC(O)=O)C(O)=O Amb24117193 [0,1,0,0,1,0|0,0,0]=2 2127 B9R0.39 OC(=O)C(CBr)CC(O)=O Amb22752144 [0,1,0,0,1,0|1,0,0]=3 2128 B9R0.39 OC(=O)C(CC(O)=O)=CBr Amb25225990 [0,1,0,0,1,0|1,0,1]=4 2129 B9R0.39 OC(=O)C(CC(O)=O)=CCl Amb25321956 [0,1,0,0,1,0|1,0,1]=4 2130 B9R0.39 OC(=O)C(CC(O)=O)C=O Amb24732382 [0,1,0,0,1,0|1,0,0]=3 2131 B9R0.39 OC(=O)C(CC(O)=O)NO Amb24685872 [0,1,0,0,1,0|0,0,0]=2 2132 B9R0.39 OC(=O)C(CC(O)=O)NS Amb25808901 [0,1,0,0,1,0|0,0,0]=2 2133 B9R0.39 OC(=O)C(CCl)CC(O)=O Amb25840030 [0,1,0,0,1,0|1,0,0]=3 2134 B9R0.39 OC(=O)[C@H](CC(O)=O)NO Amb24117497 [0,1,0,0,1,0|0,0,0]=2 2135 B9R0.39 OC(=O)[C@H](CC(O)=O)NO Amb24630025 [0,1,0,0,1,0|0,0,0]=2 2136 B9R0.39 OC(=O)\C(\CC(O)=O)=C\Br Amb25758898 [0,1,0,0,1,0|1,0,1]=4 2137 B9R0.39 OC(=O)\C(\CC(O)=O)=N\O Amb24117074 [0,1,0,0,1,0|0,0,2]=4 2138 B9R0.39 OCC(CC(O)=O)C(O)=O Amb24629722 [0,1,0,0,1,0|1,0,0]=3 2139 B9R0.57 CC(C)(O)CC(N)C(O)=O Amb18644326 [0,1,0,0,1,0|1,0,1]=4 2140 B9R0.57 CC(C)(O)C[C@@H](N)C(O)=O Amb24479570 [0,1,0,0,1,0|1,0,1]=4 2141 B9R0.57 CC(CS(O)(=O)=O)C(O)=O Amb25101588 [0,1,0,0,1,0|2,0,0]=4 2142 B9R0.57 CS(=N)(=O)CC(N)C(O)=O Amb24732321 [0,1,0,0,1,0|2,0,0]=4 2143 B9R0.57 C[S@](=N)(=O)C[C@H](N)C(O)=O Amb25749061 [0,1,0,0,1,0|2,0,0]=4 2144 B9R0.57 C[Si](C)(O)CC(N)C(O)=O Amb25060652 [0,1,0,0,1,0|1,1,0]=4 2145 B9R0.57 NC(CS(O)(=O)=O)C(N)=O Amb25803913 [0,1,0,0,1,0|2,0,0]=4 2146 B9R0.57 NC(CS(O)(=O)=O)C(O)=O Amb21929317 [0,1,0,0,1,0|1,0,0]=3 2147 B9R0.57 N[C@@H](CS(=O)(=O)S)C(O)=O Amb24463064 [0,1,0,0,1,0|1,0,1]=4 2148 B9R0.57 N[C@@H](CS(O)(=O)=O)C(N)=O Amb25697195 [0,1,0,0,1,0|2,0,0]=4 2149 B9R0.57 N[C@@H](CS(O)(=O)=O)C(O)=O Amb17942867 [0,1,0,0,1,0|1,0,0]=3 2150 B9R0.57 OC(=O)[C@H](C[C](=O)(O)C)N Amb10604178 [0,1,0,0,1,0|0,0,1]=3 2151 B9R0.57 OC(CS(O)(=O)=O)C(O)=O Amb20247567 [0,1,0,0,1,0|2,0,0]=4 2152 B9R0.57 O[C@H](CS(O)(=O)=O)C(O)=O Amb24482388 [0,1,0,0,1,0|2,0,0]=4 2153 B9R0.79 C=C(C(N)C(O)=O)C(N)=O Amb25316245 [0,1,0,0,1,0|1,0,1]=4 2154 B9R0.79 C=C(C(N)C(O)=O)C(O)=O Amb18644186 [0,1,0,0,1,0|0,0,1]=3 2155 B9R0.79 C=C(C(O)C(O)=O)C(O)=O Amb20671613 [0,1,0,0,1,0|1,0,1]=4 2156 B9R0.79 CC(=O)C(C)C(C)C(O)=O Amb24401092 [0,1,0,0,1,0|2,0,0]=4 2157 B9R0.79 CC(=O)C(C)C(N)C(O)=O Amb18202116 [0,1,0,0,1,0|1,0,0]=3 2158 B9R0.79 CC(=O)C(C)C(O)C(O)=O Amb25341155 [0,1,0,0,1,0|2,0,0]=4 2159 B9R0.79 CC(=O)C(O)C(C)C(O)=O Amb25255327 [0,1,0,0,1,0|2,0,0]=4 2160 B9R0.79 CC(=O)C(O)C(O)C(O)=O Amb25292189 [0,1,0,0,1,0|2,0,0]=4 2161 B9R0.79 CC(=O)[C@@H](C)[C@H](C)C(O)=O Amb25771163 [0,1,0,0,1,0|2,0,0]=4 2162 B9R0.79 CC(=O)[C@@H](C)[C@H](N)C(O)=O Amb25703453 [0,1,0,0,1,0|1,0,0]=3 2163 B9R0.79 CC(=O)[C@@H](O)[C@H](C)C(O)=O Amb25077192 [0,1,0,0,1,0|2,0,0]=4 2164 B9R0.79 CC(=O)[C@H](C)[C@H](C)C(O)=O Amb25805859 [0,1,0,0,1,0|2,0,0]=4 2165 B9R0.79 CC(=O)[C@H](C)[C@H](O)C(O)=O Amb24376865 [0,1,0,0,1,0|2,0,0]=4 2166 B9R0.79 CC(C(=C)C(O)=O)C(O)=O Amb18644063 [0,1,0,0,1,0|1,0,1]=4 2167 B9R0.79 CC(C(O)C(N)=O)C(O)=O Amb25728281 [0,1,0,0,1,0|2,0,0]=4 2168 B9R0.79 CC(O)C(C)C(N)C(O)=O Amb21953714 [0,1,0,0,1,0|1,0,1]=4 2169 B9R0.79 CC(O)C(C)[C@@H](N)C(O)=O Amb22800202 [0,1,0,0,1,0|1,0,1]=4 2170 B9R0.79 CC(O)[C@@H](C)[C@@H](N)C(O)=O Amb24052812 [0,1,0,0,1,0|1,0,1]=4 2171 B9R0.79 CC([C@@H](N)C(O)=O)C(O)=O Amb22745450 [0,1,0,0,1,0|0,0,0]=2 2172 B9R0.79 CC([C@@H]([C@@H](C(=O)O)N)C)O Amb10603785 [0,1,0,0,1,0|1,0,1]=4 2173 B9R0.79 C[C@@H](O)C(O)[C@H](N)C(O)=O Amb24435507 [0,1,0,0,1,0|1,0,1]=4 2174 B9R0.79 C[C@@H](O)[C@@H](C)[C@@H](N)C(O)=O Amb25693814 [0,1,0,0,1,0|1,0,1]=4 2175 B9R0.79 C[C@@H](O)[C@@H](C)[C@H](N)C(O)=O Amb24340188 [0,1,0,0,1,0|1,0,1]=4 2176 B9R0.79 C[C@@H]([C@@H](C)C(O)=O)C(O)=O Amb22801175 [0,1,0,0,1,0|1,0,0]=3 2177 B9R0.79 C[C@@H]([C@H](N)C(O)=O)C(O)=O Amb22756698 [0,1,0,0,1,0|0,0,0]=2 2178 B9R0.79 C[C@H](C(=C)C(O)=O)C(O)=O Amb24480380 [0,1,0,0,1,0|1,0,1]=4 2179 B9R0.79 C[C@H](O)C(C)[C@H](N)C(O)=O Amb22735316 [0,1,0,0,1,0|1,0,1]=4 2180 B9R0.79 C[C@H]([C@@H](C)C(O)=O)C(N)=O Amb25113911 [0,1,0,0,1,0|2,0,0]=4 2181 B9R0.79 C[C@H]([C@@H]([C@@H](C(=O)O)N)C)O Amb17615448 [0,1,0,0,1,0|1,0,1]=4 2182 B9R0.79 C[C@H]([C@H](Cl)C(O)=O)C(O)=O Amb25684803 [0,1,0,0,1,0|1,0,0]=3 2183 B9R0.79 C[C@H]([C@H](N)C(O)=O)C(O)=O Amb25324829 [0,1,0,0,1,0|0,0,0]=2 2184 B9R0.79 NC(=O)C(F)C(N)C(O)=O Amb25300324 [0,1,0,0,1,0|1,0,0]=3 2185 B9R0.79 NC(=O)C(F)[C@H](N)C(O)=O Amb24691333 [0,1,0,0,1,0|1,0,0]=3 2186 B9R0.79 NC(=O)C(O)C(N)C(O)=O Amb25218088 [0,1,0,0,1,0|1,0,0]=3 2187 B9R0.79 NC(=O)C(O)C(O)C(O)=O Amb24112928 [0,1,0,0,1,0|2,0,0]=4 2188 B9R0.79 NC(=O)[C@@H](N)[C@H](O)C(O)=O Amb24584998 [0,1,0,0,1,0|1,0,0]=3 2189 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(O)=O Amb24763774 [0,1,0,0,1,0|1,0,0]=3 2190 B9R0.79 NC(=O)[C@@H](O)[C@H](O)C(O)=O Amb25147369 [0,1,0,0,1,0|2,0,0]=4 2191 B9R0.79 NC(=O)[C@H](N)[C@H](N)C(O)=O Amb24358166 [0,1,0,0,1,0|1,0,0]=3 2192 B9R0.79 NC(=O)[C@H](N)[C@H](O)C(O)=O Amb25789713 [0,1,0,0,1,0|1,0,0]=3 2193 B9R0.79 NC(=O)[C@H](O)[C@H](O)C(O)=O Amb24630392 [0,1,0,0,1,0|2,0,0]=4 2194 B9R0.79 NC(C(Br)C(O)=O)C(O)=O Amb18657078 [0,1,0,0,1,0|0,0,0]=2 2195 B9R0.79 NC(C(Cl)C(O)=O)C(O)=O Amb18126453 [0,1,0,0,1,0|0,0,0]=2 2196 B9R0.79 NC(C(F)C(O)=O)C(O)=O Amb24061061 [0,1,0,0,1,0|0,0,0]=2 2197 B9R0.79 NC(C(N)C(O)=O)C(O)=O Amb18124865 [0,1,0,0,1,0|0,0,0]=2 2198 B9R0.79 NC(C(N)C(O)=O)C(O)=O Amb24117894 [0,1,0,0,1,0|0,0,0]=2 2199 B9R0.79 NC(C(O)=O)=C(N)C(O)=O Amb25349480 [0,1,0,0,1,0|0,0,2]=4 2200 B9R0.79 NC(C(O)C(N)=O)C(N)=O Amb25733436 [0,1,0,0,1,0|2,0,0]=4 2201 B9R0.79 NC([C@H](O)C(O)=O)C(O)=O Amb24513602 [0,1,0,0,1,0|0,0,0]=2 2202 B9R0.79 N[C@@H](C(O)C(O)=O)C(O)=O Amb22229324 [0,1,0,0,1,0|0,0,0]=2 2203 B9R0.79 N[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb24087715 [0,1,0,0,1,0|0,0,0]=2 2204 B9R0.79 N[C@@H]([C@@H](O)C(O)=O)C(O)=O Amb24117974 [0,1,0,0,1,0|0,0,0]=2 2205 B9R0.79 N[C@H]([C@@H](C(=O)O)N)C(=O)O Amb10072362 [0,1,0,0,1,0|0,0,0]=2 2206 B9R0.79 N[C@H]([C@@H](F)C(O)=O)C(O)=O Amb22229006 [0,1,0,0,1,0|0,0,0]=2 2207 B9R0.79 N[C@H]([C@@H](N)C(O)=O)C(O)=O Amb22802394 [0,1,0,0,1,0|0,0,0]=2 2208 B9R0.79 N[C@H]([C@@H](O)C(O)=O)C(O)=O Amb17942870 [0,1,0,0,1,0|0,0,0]=2 2209 B9R0.79 N[C@H]([C@H](F)C(O)=O)C(O)=O Amb24634454 [0,1,0,0,1,0|0,0,0]=2 2210 B9R0.79 N[C@H]([C@H](O)C(N)=O)C(N)=O Amb24359322 [0,1,0,0,1,0|2,0,0]=4 2211 B9R0.79 N\C(\C(O)=O)=C(/N)\C(O)=O Amb24578776 [0,1,0,0,1,0|0,0,2]=4 2212 B9R0.79 OC(=O)C(C(C(=O)O)C)Cl Amb17594150 [0,1,0,0,1,0|1,0,0]=3 2213 B9R0.79 OC(=O)C(C(C(=O)O)C)N Amb2099482 [0,1,0,0,1,0|0,0,0]=2 2214 B9R0.79 OC(=O)C(C(C(=O)O)C)O Amb17593680 [0,1,0,0,1,0|1,0,0]=3 2215 B9R0.79 OC(=O)C(C(C(=O)O)O)Cl Amb17594225 [0,1,0,0,1,0|1,0,0]=3 2216 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb16224824 [0,1,0,0,1,0|1,0,0]=3 2217 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb2553366 [0,1,0,0,1,0|1,0,0]=3 2218 B9R0.79 OC(=O)C(C(C(=O)O)O)O Amb2553386 [0,1,0,0,1,0|1,0,0]=3 2219 B9R0.79 OC(=O)C(F)C(Br)C(O)=O Amb24759132 [0,1,0,0,1,0|1,0,0]=3 2220 B9R0.79 OC(=O)C(F)C(F)C(O)=O Amb24482465 [0,1,0,0,1,0|1,0,0]=3 2221 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22732623 [0,1,0,0,1,0|1,0,0]=3 2222 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22747860 [0,1,0,0,1,0|1,0,0]=3 2223 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb22904195 [0,1,0,0,1,0|1,0,0]=3 2224 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb24107517 [0,1,0,0,1,0|1,0,0]=3 2225 B9R0.79 OC(=O)C(O)C(O)C(O)=O Amb24668916 [0,1,0,0,1,0|1,0,0]=3 2226 B9R0.79 OC(=O)[C@@H](Cl)[C@@H](Cl)C(O)=O Amb25146239 [0,1,0,0,1,0|1,0,0]=3 2227 B9R0.79 OC(=O)[C@@H](F)[C@H](Cl)C(O)=O Amb25061294 [0,1,0,0,1,0|1,0,0]=3 2228 B9R0.79 OC(=O)[C@@H](O)[C@@H](O)C(O)=O Amb22230832 [0,1,0,0,1,0|1,0,0]=3 2229 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb19884028 [0,1,0,0,1,0|1,0,0]=3 2230 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22224835 [0,1,0,0,1,0|1,0,0]=3 2231 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22750609 [0,1,0,0,1,0|1,0,0]=3 2232 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22756774 [0,1,0,0,1,0|1,0,0]=3 2233 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22800414 [0,1,0,0,1,0|1,0,0]=3 2234 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22801138 [0,1,0,0,1,0|1,0,0]=3 2235 B9R0.79 OC(=O)[C@@H](O)[C@H](O)C(O)=O Amb22801799 [0,1,0,0,1,0|1,0,0]=3 2236 B9R0.79 OC(=O)[C@H](C(C(=O)O)C)N Amb16232531 [0,1,0,0,1,0|0,0,0]=2 2237 B9R0.79 OC(=O)[C@H](Cl)[C@@H](Cl)C(O)=O Amb24390367 [0,1,0,0,1,0|1,0,0]=3 2238 B9R0.79 OC(=O)[C@H](F)[C@H](Cl)C(O)=O Amb25774512 [0,1,0,0,1,0|1,0,0]=3 2239 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb19884026 [0,1,0,0,1,0|1,0,0]=3 2240 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb20240604 [0,1,0,0,1,0|1,0,0]=3 2241 B9R0.79 OC(=O)[C@H](O)[C@@H](O)C(O)=O Amb20670711 [0,1,0,0,1,0|1,0,0]=3 2242 B9R0.79 OC(=O)[C@H](S)[C@@H](S)C(O)=O Amb25374645 [0,1,0,0,1,0|1,0,0]=3 2243 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)N)O Amb17615140 [0,1,0,0,1,0|0,0,0]=2 2244 B9R0.79 OC(=O)[C@H]([C@@H](C(=O)O)O)O Amb10604195 [0,1,0,0,1,0|1,0,0]=3 2245 B9R0.79 OC(C(F)C(O)=O)C(O)=O Amb24479232 [0,1,0,0,1,0|1,0,0]=3 2246 B9R0.79 OC(C(S)C(O)=O)C(O)=O Amb25776261 [0,1,0,0,1,0|1,0,0]=3 2247 B9R0.79 O[C@@H]([C@@H](Cl)C(O)=O)C(O)=O Amb24524583 [0,1,0,0,1,0|1,0,0]=3 2248 B9R0.79 O[C@@H]([C@H](Br)C(O)=O)C(O)=O Amb24680321 [0,1,0,0,1,0|1,0,0]=3 2249 B9R0.79 O[C@@H]([C@H](F)C(O)=O)C(O)=O Amb24470062 [0,1,0,0,1,0|1,0,0]=3 2250 B9R0.79 O[C@H]([C@@H](Cl)C(O)=O)C(O)=O Amb24390265 [0,1,0,0,1,0|1,0,0]=3 2251 B9R0.79 [O-]C(=O)C(O)C(O)C(O)=O Amb20246422 [0,1,0,0,1,0|1,0,1]=4 2252 B9R0.79 [O-]C(=O)C(O)C(O)C(O)=O Amb22052542 [0,1,0,0,1,0|1,0,1]=4 2253 B9R0.79 [O-]C(=O)[C@@H](O)[C@H](O)C(O)=O Amb22348349 [0,1,0,0,1,0|1,0,1]=4 2254 B9R0.79 [O-]C(=O)[C@@H](O)[C@H](O)C(O)=O Amb22800925 [0,1,0,0,1,0|1,0,1]=4 2255 B9R0.79 [O-]C(=O)[C@H](O)[C@@H](O)C(O)=O Amb22353007 [0,1,0,0,1,0|1,0,1]=4 2256 B11R0.149 NC(CC(O)=O)C(N)CC(O)=O Amb24114097 [0,1,0,0,0,1|0,0,0]=2 2257 B11R0.173 OC(=O)CCN(C(C(=O)O)C)C Amb17561090 [0,1,0,0,0,1|2,0,0]=4 2258 B11R0.232 CC(C)(CC(O)=O)CCC(O)=O Amb22357103 [0,1,0,0,0,1|1,0,0]=3 2259 B11R0.232 OC(=O)CCS(=O)(=O)CC(=O)O Amb17501260 [0,1,0,0,0,1|2,0,0]=4 2260 B11R0.109 COC(=O)CCC[C@@H](C(=O)O)N Amb13884888 [0,1,0,0,0,1|0,0,0]=2 2261 B11R0.109 COC(=O)CCC[C@@H](N)C(O)=O Amb23437884 [0,1,0,0,0,1|0,0,0]=2 2262 B11R0.109 ONC(=N)NCC[C@@H](C(=O)O)N Amb17615646 [0,1,0,0,0,1|1,0,0]=3 2263 B11R0.150 CC(CCC(=C)C(O)=O)C(O)=O Amb24065778 [0,1,0,0,0,1|1,0,0]=3 2264 B11R0.150 CC(CCC(C)C(O)=O)C(O)=O Amb18127177 [0,1,0,0,0,1|1,0,0]=3 2265 B11R0.150 CC(SSC(C)C(O)=O)C(O)=O Amb22731793 [0,1,0,0,0,1|2,0,0]=4 2266 B11R0.150 NC(C(=O)O)CCC(C(=O)O)N Amb10602546 [0,1,0,0,0,1|0,0,0]=2 2267 B11R0.150 NC(C(=O)O)CCC(C(=O)O)N Amb17594468 [0,1,0,0,0,1|0,0,0]=2 2268 B11R0.150 NC(CNC(=O)C(O)=O)C(O)=O Amb18647934 [0,1,0,0,0,1|0,0,1]=3 2269 B11R0.150 N[C@H](C(=O)O)CC[C@H](C(=O)O)N Amb10603182 [0,1,0,0,0,1|0,0,0]=2 2270 B11R0.202 OC(=O)CCSC(C(=O)O)(C)C Amb17501236 [0,1,0,0,0,1|1,0,0]=3 2271 B11R0.318 NC(CCCP(O)(O)=O)C(O)=O Amb22352627 [0,1,0,0,0,1|1,0,0]=3 2272 B11R0.318 NC(CCCP(O)(O)=O)C([O-])=O Amb22264894 [0,1,0,0,0,1|1,0,1]=4 2273 B11R0.318 N[C@@H](CC#CP(O)(O)=O)C(O)=O Amb24672536 [0,1,0,0,0,1|1,0,1]=4 2274 B11R0.318 N[C@@H](CSOS(O)(=O)=O)C(O)=O Amb22747828 [0,1,0,0,0,1|2,0,0]=4 2275 B11R0.318 OC(=O)C(CCCP(=O)(O)O)N Amb17619388 [0,1,0,0,0,1|1,0,0]=3 2276 B11R0.63 CC(=O)S[C@H](C)[C@H](N)C(=O)OC Amb24117265 [0,2,0,0,0,0|2,0,0]=4 2277 B11R0.206 CN(C(S)C(O)=O)C(S)C(O)=O Amb24101398 [0,2,0,0,0,0|2,0,0]=4 2278 B11R0.308 C[C@@H](OP(O)(O)=O)C(N)C(O)=O Amb22800372 [0,2,0,0,0,0|2,0,0]=4 2279 B11R0.308 C[C@@H](OP(O)(O)=O)[C@H](N)C(O)=O Amb19133656 [0,2,0,0,0,0|2,0,0]=4 2280 B11R0.335 OC(=O)CS(=O)(=O)C(C(=O)O)C Amb17501652 [0,2,0,0,0,0|2,0,0]=4 2281 B11R0.335 [2H]C([2H])(CC(O)=O)C(N)C(O)=O Amb22367249 [0,2,0,0,0,0|0,0,0]=2 2282 B11R0.169 CC(C(=O)O)SC(C(=O)O)(C)C Amb17501629 [0,2,0,0,0,0|2,0,0]=4 2283 B11R0.169 CC(C)(C[C@@H](N)C(O)=O)C(O)=O Amb19131979 [0,2,0,0,0,0|0,0,0]=2 2284 B11R0.169 NC(C(=O)O)CC(C(=O)O)(F)F Amb16185493 [0,2,0,0,0,0|0,0,0]=2 2285 B11R0.169 N[C@@H](CC(F)(F)C(O)=O)C(O)=O Amb19375300 [0,2,0,0,0,0|0,0,0]=2 2286 B11R0.201 COC(=O)CCC(C)(C)C(O)=O Amb18127171 [0,2,0,0,0,0|1,0,0]=3 2287 B11R0.429 CC(N)(COP(O)(O)=O)C(O)=O Amb22369940 [0,2,0,0,0,0|2,0,0]=4 2288 B11R0.429 C[C@](N)(CCP(O)(O)=O)C(O)=O Amb22352109 [0,2,0,0,0,0|1,0,0]=3 2289 B11R0.59 CCOC(=O)[C@@H](N)CCC(N)=O Amb22898842 [0,2,0,0,0,0|1,0,0]=3 2290 B11R0.117 CC(CC(C)C(=O)OC)C(O)=O Amb18647808 [0,2,0,0,0,0|1,0,0]=3 2291 B11R0.120 COC(=O)C(Br)CCC(=O)OC Amb22500129 [0,2,0,0,0,0|1,0,0]=3 2292 B11R0.120 COC(=O)CC[C@H](C(=O)OC)N Amb16183941 [0,2,0,0,0,0|0,0,0]=2 2293 B11R0.120 COC(=O)[C@@H](C)CCC(=O)OC Amb22799425 [0,2,0,0,0,0|1,0,0]=3 2294 B11R0.120 COC(=O)[C@H](N)CCC(=O)OC Amb22230568 [0,2,0,0,0,0|0,0,0]=2 2295 B11R0.120 OC(CCC(=O)O[Na])C(=O)O[Na] Amb22371817 [0,2,0,0,0,0|1,0,0]=3 2296 B11R0.141 CC#CC(=O)NCC(N)C(O)=O Amb25736458 [0,2,0,0,0,0|2,0,0]=4 2297 B11R0.141 CCNC(=O)CC[C@@H](N)C(O)=O Amb19134042 [0,2,0,0,0,0|1,0,0]=3 2298 B11R0.141 CCOC(=O)CC[C@@H](N)C(O)=O Amb22745269 [0,2,0,0,0,0|0,0,0]=2 2299 B11R0.141 NC(CCC(=O)C=N=N)C(O)=O Amb22352148 [0,2,0,0,0,0|1,0,0]=3 2300 B11R0.141 N[C@@H](CCC(=O)C=N=N)C(O)=O Amb22801420 [0,2,0,0,0,0|1,0,0]=3 2301 B11R0.141 [N-]=[N+]=CC(=O)CC[C@@H](C(=O)O)N Amb16183956 [0,2,0,0,0,0|1,0,0]=3 2302 B11R0.141 [N-]=[N+]=CC(=O)CC[C@H](C(=O)O)N Amb17621829 [0,2,0,0,0,0|1,0,0]=3 2303 B11R0.141 [N-]=[N+]=CC(=O)OC[C@@H](N)C(O)=O Amb22799566 [0,2,0,0,0,0|2,0,0]=4 2304 B11R0.141 [N-]=[N+]=CC(=O)OC[C@H](N)C(O)=O Amb22352282 [0,2,0,0,0,0|2,0,0]=4 2305 B11R0.28 OC(=O)CCC(C(=O)O)C(C)C Amb10553099 [0,2,0,0,0,0|1,0,0]=3 2306 B11R0.146 CCCC(C(=O)O)CCC(=O)O Amb17619597 [0,2,0,0,0,0|1,0,0]=3 2307 B11R0.146 N=CNC(CCC(O)=O)C(O)=O Amb22732898 [0,2,0,0,0,0|0,0,0]=2 2308 B11R0.146 O=CNC(C(=O)O)CCC(=O)N Amb2582546 [0,2,0,0,0,0|1,0,0]=3 2309 B11R0.275 CCC(C(=O)O)SC(C(=O)O)C Amb17501326 [0,2,0,0,0,0|2,0,0]=4 2310 B9R1.6 CC(=O)C1CCC=CN1 Amb25094747 [1,0,0,1,0,0|2,0,0]=4 2311 B9R1.6 OC(=O)C1CCC=CN1 Amb24640071 [1,0,0,1,0,0|1,0,0]=3 2312 B9R1.6 OC(=O)C1CCC=CO1 Amb10071565 [1,0,0,1,0,0|2,0,0]=4 2313 B9R1.6 OC(=O)C1CCCOC1 Amb1102367 [1,0,0,1,0,0|1,0,1]=4 2314 B9R1.6 OC(=O)C1CCSCN1 Amb1102215 [1,0,0,1,0,0|2,0,0]=4 2315 B9R1.6 OC(=O)C1CCSCN1 Amb22284134 [1,0,0,1,0,0|2,0,0]=4 2316 B9R1.6 OC(=O)[C@@H]1CC=CCC1 Amb19131346 [1,0,0,1,0,0|2,0,0]=4 2317 B9R1.6 OC(=O)[C@@H]1CCC=CC1 Amb17611453 [1,0,0,1,0,0|2,0,0]=4 2318 B9R1.6 OC(=O)[C@@H]1CCC=CN1 Amb19888332 [1,0,0,1,0,0|1,0,0]=3 2319 B9R1.6 OC(=O)[C@@H]1CCCNN1 Amb22747164 [1,0,0,1,0,0|1,0,1]=4 2320 B9R1.6 OC(=O)[C@@H]1CCSCN1 Amb24465168 [1,0,0,1,0,0|2,0,0]=4 2321 B9R1.6 OC(=O)[C@@H]1COCCC1 Amb24118033 [1,0,0,1,0,0|1,0,1]=4 2322 B9R1.6 OC(=O)[C@H]1CC=CCN1 Amb25757299 [1,0,0,1,0,0|1,0,1]=4 2323 B9R1.6 OC(=O)[C@H]1CCSCN1 Amb25773953 [1,0,0,1,0,0|2,0,0]=4 2324 B9R1.6 O[13C](=O)C1CCCCN1 Amb22363349 [1,0,0,1,0,0|1,0,1]=4 2325 B9R1.23 C=C[C@@H]1C[C@@H](O)C(=O)O1 Amb24519791 [1,0,0,1,0,0|2,0,0]=4 2326 B9R1.23 CC1CC(CO)OC1=O Amb24371209 [1,0,0,1,0,0|1,0,1]=4 2327 B9R1.23 CC1C[C@@H](C=O)OC1=O Amb24389171 [1,0,0,1,0,0|1,0,0]=3 2328 B9R1.23 CC[C@@H]1C[C@H](N)C(=O)O1 Amb25163624 [1,0,0,1,0,0|1,0,1]=4 2329 B9R1.23 C[C@@H]1C[C@@H](CO)OC1=O Amb24612854 [1,0,0,1,0,0|1,0,1]=4 2330 B9R1.23 C[C@@H]1C[C@H](CO)OC1=O Amb24672472 [1,0,0,1,0,0|1,0,1]=4 2331 B9R1.23 C[C@H]1CC(CO)OC1=O Amb25078626 [1,0,0,1,0,0|1,0,1]=4 2332 B9R1.23 C[C@H]1C[C@@H](C=O)OC1=O Amb24587323 [1,0,0,1,0,0|1,0,0]=3 2333 B9R1.23 NC1CC(CO)NC1=O Amb25124342 [1,0,0,1,0,0|1,0,1]=4 2334 B9R1.23 NC1CC(CO)OC1=O Amb18642829 [1,0,0,1,0,0|0,0,1]=3 2335 B9R1.23 N[C@@H]1C[C@@H](CO)NC1=O Amb24645846 [1,0,0,1,0,0|1,0,1]=4 2336 B9R1.23 N[C@@H]1C[C@@H](CO)OC1=O Amb25327262 [1,0,0,1,0,0|0,0,1]=3 2337 B9R1.23 N[C@H]1CC(CO)OC1=O Amb25771995 [1,0,0,1,0,0|0,0,1]=3 2338 B9R1.23 N[C@H]1C[C@@H](CO)NC1=O Amb24561327 [1,0,0,1,0,0|1,0,1]=4 2339 B9R1.23 N[C@H]1C[C@H](CO)OC1=O Amb24567157 [1,0,0,1,0,0|0,0,1]=3 2340 B9R1.23 O[C@@H]1C[C@H](CO)OC1=O Amb25324131 [1,0,0,1,0,0|1,0,1]=4 2341 B9R1.35 CC(=C)[C@@H]1CCC(=O)N1 Amb25142143 [1,0,0,1,0,0|2,0,0]=4 2342 B9R1.35 CC(=O)C1CC(=O)CC1 Amb24423910 [1,0,0,1,0,0|2,0,0]=4 2343 B9R1.35 CC(=O)C1CCC(=O)N1 Amb24432249 [1,0,0,1,0,0|1,0,0]=3 2344 B9R1.35 CC(=O)C1CSC(=O)N1 Amb25706778 [1,0,0,1,0,0|2,0,0]=4 2345 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 Amb24182046 [1,0,0,1,0,0|2,0,0]=4 2346 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 Amb25809473 [1,0,0,1,0,0|2,0,0]=4 2347 B9R1.35 CC(=O)[C@H]1CC(=O)CC1 Amb24407171 [1,0,0,1,0,0|2,0,0]=4 2348 B9R1.35 CC(=O)[C@H]1CCC(=O)O1 Amb24524212 [1,0,0,1,0,0|2,0,0]=4 2349 B9R1.35 CC(O)C1CCC(=O)N1 Amb24386014 [1,0,0,1,0,0|1,0,1]=4 2350 B9R1.35 CC1CCC(N1)C(O)=O Amb18832572 [1,0,0,1,0,0|1,0,1]=4 2351 B9R1.35 CC1CC[C@@H](N1)C(O)=O Amb22748252 [1,0,0,1,0,0|1,0,1]=4 2352 B9R1.35 CC=1CCC(N1)C(O)=O Amb23438203 [1,0,0,1,0,0|1,0,1]=4 2353 B9R1.35 CC=1CCC([NH+]1)C(O)=O Amb22372048 [1,0,0,1,0,0|1,0,1]=4 2354 B9R1.35 CC=1NC(CN1)C(O)=O Amb24599993 [1,0,0,1,0,0|2,0,0]=4 2355 B9R1.35 CN1CCC(N1)C(O)=O Amb25854311 [1,0,0,1,0,0|2,0,0]=4 2356 B9R1.35 C[C@@H](O)[C@@H]1CCC(=O)N1 Amb25305303 [1,0,0,1,0,0|1,0,1]=4 2357 B9R1.35 C[C@@H]1CC[C@@H](N1)C(O)=O Amb24399449 [1,0,0,1,0,0|1,0,1]=4 2358 B9R1.35 C[C@H]1CC[C@@H](N1)C(O)=O Amb25260830 [1,0,0,1,0,0|1,0,1]=4 2359 B9R1.35 C[C@H]1CC[C@H](N1)C(O)=O Amb24598417 [1,0,0,1,0,0|1,0,1]=4 2360 B9R1.35 N=C1CCC(N1)C(O)=O Amb18642592 [1,0,0,1,0,0|1,0,0]=3 2361 B9R1.35 NC(=O)C1CCC(=O)O1 Amb24466803 [1,0,0,1,0,0|2,0,0]=4 2362 B9R1.35 NC(=O)C1CNC(=O)N1 Amb25380692 [1,0,0,1,0,0|2,0,0]=4 2363 B9R1.35 NC(=O)C1COC(=O)N1 Amb24683685 [1,0,0,1,0,0|2,0,0]=4 2364 B9R1.35 NC(=O)[C@@H]1CCC(=O)O1 Amb25146823 [1,0,0,1,0,0|2,0,0]=4 2365 B9R1.35 NC(=O)[C@@H]1CNC(=O)N1 Amb25740143 [1,0,0,1,0,0|2,0,0]=4 2366 B9R1.35 NC=1CC[C@H](N1)C(O)=O Amb25346757 [1,0,0,1,0,0|1,0,1]=4 2367 B9R1.35 O=C1CCC(=C1)C(=O)O Amb13883804 [1,0,0,1,0,0|1,0,1]=4 2368 B9R1.35 O=C1CCC(C1)C(=O)Cl Amb25282784 [1,0,0,1,0,0|2,0,0]=4 2369 B9R1.35 O=C1CCC(N1)C(=O)Cl Amb17142869 [1,0,0,1,0,0|1,0,0]=3 2370 B9R1.35 O=C1CCC(N1)C(=O)N Amb17142856 [1,0,0,1,0,0|1,0,0]=3 2371 B9R1.35 O=C1CCC(O1)C(=O)Cl Amb24648754 [1,0,0,1,0,0|2,0,0]=4 2372 B9R1.35 O=C1CCN(N1)C(=O)Cl Amb25720112 [1,0,0,1,0,0|2,0,0]=4 2373 B9R1.35 O=C1CC[C@@H](N1)C(=O)Cl Amb24746659 [1,0,0,1,0,0|1,0,0]=3 2374 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl Amb22747149 [1,0,0,1,0,0|2,0,0]=4 2375 B9R1.35 O=C1CC[C@H](N1)C(=O)O Amb1995036 [1,0,0,1,0,0|0,0,0]=2 2376 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl Amb22388653 [1,0,0,1,0,0|2,0,0]=4 2377 B9R1.35 O=C1NCC(C1)C(=O)O Amb1129202 [1,0,0,1,0,0|2,0,0]=4 2378 B9R1.35 O=C1N[C@@H](CS1)C(=O)Cl Amb25112049 [1,0,0,1,0,0|2,0,0]=4 2379 B9R1.35 O=C1OCC(N1)C(=O)O Amb15701690 [1,0,0,1,0,0|1,0,0]=3 2380 B9R1.35 O=C1SCC(C1)C(=O)O Amb10073724 [1,0,0,1,0,0|2,0,0]=4 2381 B9R1.35 O=C1SC[C@H](N1)C(=O)O Amb1157856 [1,0,0,1,0,0|1,0,0]=3 2382 B9R1.35 OC(=O)C1CC(=O)CS1 Amb24061425 [1,0,0,1,0,0|2,0,0]=4 2383 B9R1.35 OC(=O)C1CC(=O)OC1 Amb22642307 [1,0,0,1,0,0|2,0,0]=4 2384 B9R1.35 OC(=O)C1CCC(=O)N1 Amb22282321 [1,0,0,1,0,0|0,0,0]=2 2385 B9R1.35 OC(=O)C1CCC(=O)O1 Amb20623076 [1,0,0,1,0,0|1,0,0]=3 2386 B9R1.35 OC(=O)C1CCC(=O)S1 Amb23439315 [1,0,0,1,0,0|1,0,0]=3 2387 B9R1.35 OC(=O)C1CCC(=S)N1 Amb24477679 [1,0,0,1,0,0|0,1,0]=3 2388 B9R1.35 OC(=O)C1CCC(F)N1 Amb24423850 [1,0,0,1,0,0|1,0,1]=4 2389 B9R1.35 OC(=O)C1CNC(=O)O1 Amb24112958 [1,0,0,1,0,0|2,0,0]=4 2390 B9R1.35 OC(=O)C1CNC(=O)S1 Amb24084914 [1,0,0,1,0,0|2,0,0]=4 2391 B9R1.35 OC(=O)C1COC(=O)N1 Amb24288785 [1,0,0,1,0,0|1,0,0]=3 2392 B9R1.35 OC(=O)C1COC(=O)O1 Amb25767974 [1,0,0,1,0,0|2,0,0]=4 2393 B9R1.35 OC(=O)C1CSC(=O)S1 Amb23504458 [1,0,0,1,0,0|2,0,0]=4 2394 B9R1.35 OC(=O)C1OC(=O)CS1 Amb25063335 [1,0,0,1,0,0|2,0,0]=4 2395 B9R1.35 OC(=O)C=1NC(=O)CN1 Amb24387402 [1,0,0,1,0,0|1,0,1]=4 2396 B9R1.35 OC(=O)[C@@H]1C=CC(=O)N1 Amb25140391 [1,0,0,1,0,0|0,0,2]=4 2397 B9R1.35 OC(=O)[C@@H]1CC(=O)CC1 Amb22746923 [1,0,0,1,0,0|1,0,0]=3 2398 B9R1.35 OC(=O)[C@@H]1CC(=O)CN1 Amb19516117 [1,0,0,1,0,0|2,0,0]=4 2399 B9R1.35 OC(=O)[C@@H]1CC(=O)CN1 Amb22747440 [1,0,0,1,0,0|2,0,0]=4 2400 B9R1.35 OC(=O)[C@@H]1CC(=O)NC1 Amb23439643 [1,0,0,1,0,0|2,0,0]=4 2401 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 Amb24099403 [1,0,0,1,0,0|0,0,0]=2 2402 B9R1.35 OC(=O)[C@@H]1CCC(F)N1 Amb25032254 [1,0,0,1,0,0|1,0,1]=4 2403 B9R1.35 OC(=O)[C@@H]1CNC(=O)O1 Amb25146207 [1,0,0,1,0,0|2,0,0]=4 2404 B9R1.35 OC(=O)[C@@H]1COC(=O)N1 Amb19517080 [1,0,0,1,0,0|1,0,0]=3 2405 B9R1.35 OC(=O)[C@H]1CC(=O)CN1 Amb25360885 [1,0,0,1,0,0|2,0,0]=4 2406 B9R1.35 OC(=O)[C@H]1CNC(=O)N1 Amb24079612 [1,0,0,1,0,0|1,0,0]=3 2407 B9R1.35 OC(=O)[C@H]1COC(=O)N1 Amb24340149 [1,0,0,1,0,0|1,0,0]=3 2408 B9R1.35 OC1CCC(C1)C(O)=O Amb21963572 [1,0,0,1,0,0|1,0,1]=4 2409 B9R1.35 OC1NC(CS1)C(O)=O Amb25759113 [1,0,0,1,0,0|1,0,1]=4 2410 B9R1.35 O[13C](=O)[13CH]1[13CH2]SC(=S)N1 Amb17620633 [1,0,0,1,0,0|1,1,0]=4 2411 B9R1.35 O[C@@H]1CC[C@@H](C1)C(O)=O Amb22746073 [1,0,0,1,0,0|1,0,1]=4 2412 B9R1.35 O[C@@H]1CC[C@H](C1)C(O)=O Amb22746558 [1,0,0,1,0,0|1,0,1]=4 2413 B9R1.35 O[C@@H]1CC[C@H](N1)C(O)=O Amb24515622 [1,0,0,1,0,0|0,0,1]=3 2414 B9R1.40 NC1CCCOP1(O)=O Amb24664426 [1,0,0,1,0,0|1,0,1]=4 2415 B9R1.45 C=C1CC1C(N)C(O)=O Amb24117258 [1,0,0,1,0,0|1,0,0]=3 2416 B9R1.45 NC([C@H]1C[C@@H]1N)C(O)=O Amb25245366 [1,0,0,1,0,0|1,0,1]=4 2417 B9R1.69 C=C1CC[C@@H](N)C(=O)O1 Amb24426847 [1,0,0,1,0,0|1,0,0]=3 2418 B9R1.69 CC1CCC(=O)CC1=O Amb24053090 [1,0,0,1,0,0|2,0,0]=4 2419 B9R1.69 CC1CCC(=O)NC1=O Amb21963732 [1,0,0,1,0,0|2,0,0]=4 2420 B9R1.69 CC1CCC(=O)OC1=O Amb24117247 [1,0,0,1,0,0|1,0,0]=3 2421 B9R1.69 CC1CCC(N)C(=O)O1 Amb24563967 [1,0,0,1,0,0|1,0,1]=4 2422 B9R1.69 CC1CCC(O)=CC1=O Amb24532888 [1,0,0,1,0,0|2,0,0]=4 2423 B9R1.69 CC1CCC(O)OC1=O Amb25306421 [1,0,0,1,0,0|1,0,1]=4 2424 B9R1.69 CC1SCC(=O)OC1=O Amb2431035 [1,0,0,1,0,0|2,0,0]=4 2425 B9R1.69 C[C@H]1CCC(=O)NC1=O Amb24478802 [1,0,0,1,0,0|2,0,0]=4 2426 B9R1.69 NC1CCC(=O)NC1=O Amb16233835 [1,0,0,1,0,0|1,0,0]=3 2427 B9R1.69 NC1CCC(=O)NC1=O Amb20620338 [1,0,0,1,0,0|1,0,0]=3 2428 B9R1.69 NC1CCC(=O)NC1=O Amb22640986 [1,0,0,1,0,0|1,0,0]=3 2429 B9R1.69 NC1CSC(=O)NC1=O Amb24477717 [1,0,0,1,0,0|2,0,0]=4 2430 B9R1.69 N[C@@H]1CCC(=O)NC1=O Amb18536900 [1,0,0,1,0,0|1,0,0]=3 2431 B9R1.69 N[C@H]1CCC(=O)NC1=O Amb17134710 [1,0,0,1,0,0|1,0,0]=3 2432 B9R1.69 N[C@H]1CCC(=O)OC1=O Amb24680533 [1,0,0,1,0,0|0,0,0]=2 2433 B9R1.69 O=C1CC(=O)C(Br)CC1 Amb25234901 [1,0,0,1,0,0|2,0,0]=4 2434 B9R1.69 O=C1CCC(=O)OC1=O Amb24620117 [1,0,0,1,0,0|1,0,1]=4 2435 B9R1.69 O=C1CCC(Br)C(=O)N1 Amb22735973 [1,0,0,1,0,0|2,0,0]=4 2436 B9R1.69 O=C1CCC(Br)C(=O)O1 Amb25680134 [1,0,0,1,0,0|1,0,0]=3 2437 B9R1.69 O=C1CCC(Cl)C(=O)O1 Amb25060552 [1,0,0,1,0,0|1,0,0]=3 2438 B9R1.69 O=C1CCC(F)C(=O)N1 Amb24478812 [1,0,0,1,0,0|2,0,0]=4 2439 B9R1.69 OC1CCC(=O)OC1=O Amb25728114 [1,0,0,1,0,0|1,0,0]=3 2440 B9R1.93 C#CC1CC1(N)C(O)=O Amb23456002 [1,0,0,1,0,0|1,0,1]=4 2441 B9R1.93 C=C[C@@H]1C[C@]1(N)C(O)=O Amb22744970 [1,0,0,1,0,0|1,0,0]=3 2442 B9R1.93 C=C[C@H]1C[C@]1(N)C(O)=O Amb25105090 [1,0,0,1,0,0|1,0,0]=3 2443 B9R1.93 CC1(CC1CO)C(O)=O Amb24559345 [1,0,0,1,0,0|1,0,1]=4 2444 B9R1.93 CCC1CC1(N)C(O)=O Amb24655862 [1,0,0,1,0,0|1,0,1]=4 2445 B9R1.93 CC[C@@H]1CC1(N)C(O)=O Amb25104706 [1,0,0,1,0,0|1,0,1]=4 2446 B9R1.93 CC[C@@H]1C[C@@]1(N)C(O)=O Amb23452849 [1,0,0,1,0,0|1,0,1]=4 2447 B9R1.93 CC[C@@H]1C[C@]1(N)C(O)=O Amb23452884 [1,0,0,1,0,0|1,0,1]=4 2448 B9R1.93 NC1(CC1C=C)C(=O)O Amb10068409 [1,0,0,1,0,0|1,0,0]=3 2449 B9R1.93 NC1(CC1CO)C(O)=O Amb25828351 [1,0,0,1,0,0|0,0,1]=3 2450 B9R1.93 NC[C@@H]1C[C@@]1(N)C(O)=O Amb24763621 [1,0,0,1,0,0|1,0,1]=4 2451 B9R1.93 N[C@@]1(C[C@H]1CO)C(O)=O Amb25101898 [1,0,0,1,0,0|0,0,1]=3 2452 B9R1.93 N[C@]1(C[C@@H]1CO)C(O)=O Amb24581240 [1,0,0,1,0,0|0,0,1]=3 2453 B9R1.95 OCC1CC(C1)C(O)=O Amb22002175 [1,0,0,1,0,0|1,0,1]=4 2454 B9R1.95 OC[C@@H]1C[C@@H](N1)C(O)=O Amb24556421 [1,0,0,1,0,0|0,0,1]=3 2455 B9R1.110 NC(C1CCC1)C(O)=O Amb19149365 [1,0,0,1,0,0|1,0,1]=4 2456 B9R1.110 NC(C1CCC1)C(O)=O Amb21858491 [1,0,0,1,0,0|1,0,1]=4 2457 B9R1.110 NC(C1CCO1)C(N)=O Amb25364480 [1,0,0,1,0,0|1,0,1]=4 2458 B9R1.110 NC(C1COC1)C(O)=O Amb22405987 [1,0,0,1,0,0|2,0,0]=4 2459 B9R1.110 N[C@@H](C1COC1)C(O)=O Amb22737551 [1,0,0,1,0,0|2,0,0]=4 2460 B9R1.110 N[C@H](C1COC1)C(O)=O Amb22737550 [1,0,0,1,0,0|2,0,0]=4 2461 B9R1.112 NC(CC1CC1)C(O)=O Amb23399727 [1,0,0,1,0,0|1,0,1]=4 2462 B9R1.112 NC(CC1CO1)C(O)=O Amb25800055 [1,0,0,1,0,0|0,0,1]=3 2463 B9R1.112 N[C@@H](CC1CC1)C(O)=O Amb24329024 [1,0,0,1,0,0|1,0,1]=4 2464 B9R1.112 N[C@@H](CC1CO1)C(O)=O Amb25709170 [1,0,0,1,0,0|0,0,1]=3 2465 B9R1.159 CC(=O)C1(C)CCC1=O Amb25050231 [1,0,0,1,0,0|2,0,0]=4 2466 B9R1.159 CC1CCC1(N)C(O)=O Amb23456072 [1,0,0,1,0,0|1,0,1]=4 2467 B9R1.159 C[C@@H]1CC[C@]1(N)C(O)=O Amb24586126 [1,0,0,1,0,0|1,0,1]=4 2468 B9R1.159 NC1(CCC1F)C(O)=O Amb25223441 [1,0,0,1,0,0|1,0,1]=4 2469 B9R1.159 N[C@@H]1CC[C@]1(N)C(O)=O Amb25233319 [1,0,0,1,0,0|1,0,1]=4 2470 B9R1.159 N[C@@]1(CC[C@H]1O)C(O)=O Amb25313173 [1,0,0,1,0,0|0,0,1]=3 2471 B9R1.159 OC1CCC1(O)C(O)=O Amb24477886 [1,0,0,1,0,0|1,0,1]=4 2472 B9R1.163 CC1(CCC=C1)C(O)=O Amb18642405 [1,0,0,1,0,0|2,0,0]=4 2473 B9R1.163 C[C@@]1(CCCO1)C(O)=O Amb24117235 [1,0,0,1,0,0|1,0,1]=4 2474 B9R1.163 NC1(CNCC1)C(O)=O Amb22490624 [1,0,0,1,0,0|2,0,0]=4 2475 B9R1.163 NC1(COCC1)C(O)=O Amb22274600 [1,0,0,1,0,0|2,0,0]=4 2476 B9R1.163 NC1(CSCC1)C(O)=O Amb22274058 [1,0,0,1,0,0|2,0,0]=4 2477 B9R1.163 N[C@@]1(COCC1)C(O)=O Amb20241211 [1,0,0,1,0,0|2,0,0]=4 2478 B9R1.163 N[C@]1(COCC1)C(O)=O Amb20241209 [1,0,0,1,0,0|2,0,0]=4 2479 B9R1.163 N[C@]1(CSCC1)C(O)=O Amb24476636 [1,0,0,1,0,0|2,0,0]=4 2480 B9R1.163 OC(=O)C1(C)CCCO1 Amb1088877 [1,0,0,1,0,0|1,0,1]=4 2481 B9R1.163 OC(=O)C1(N)CCCC1 Amb1838882 [1,0,0,1,0,0|1,0,1]=4 2482 B9R1.163 OC(=O)C1(N)COCC1 Amb16232669 [1,0,0,1,0,0|2,0,0]=4 2483 B9R1.1 OCC1CCC(=O)CN1 Amb25207554 [1,0,0,1,0,0|1,0,1]=4 2484 B9R1.49 NC1CCOC(=O)CC1 Amb23598291 [1,0,0,1,0,0|1,0,1]=4 2485 B9R1.55 CN1CC(C1=O)C(=O)O Amb17593354 [1,0,0,1,0,0|2,0,0]=4 2486 B9R1.67 N[C@H]1CC[C@@H]1CC(O)=O Amb24700074 [1,0,0,1,0,0|1,0,1]=4 2487 B9R1.82 CC(C=O)C1CC(=O)N1 Amb24374664 [1,0,0,1,0,0|2,0,0]=4 2488 B9R1.82 CC(C=O)[C@H]1CC(=O)N1 Amb25797916 [1,0,0,1,0,0|2,0,0]=4 2489 B9R1.82 C[C@@H](CO)[C@H]1CC(=O)O1 Amb24675614 [1,0,0,1,0,0|1,0,1]=4 2490 B9R1.82 NC(CO)C1CC(=O)N1 Amb24573644 [1,0,0,1,0,0|1,0,1]=4 2491 B9R1.86 C=CC1OC1CC(O)=O Amb25701827 [1,0,0,1,0,0|2,0,0]=4 2492 B9R1.86 C=C[C@H]1O[C@@H]1CC(O)=O Amb25217275 [1,0,0,1,0,0|2,0,0]=4 2493 B9R1.86 OC(=O)CN1CC1C=O Amb24078335 [1,0,0,1,0,0|2,0,0]=4 2494 B9R1.125 CC1(CO)CCC(=O)O1 Amb24424055 [1,0,0,1,0,0|1,0,1]=4 2495 B9R1.125 C[C@]1(CCC(=O)N1)C=O Amb25207935 [1,0,0,1,0,0|2,0,0]=4 2496 B9R1.127 CC1(CC1C(O)=O)CO Amb24529046 [1,0,0,1,0,0|1,0,1]=4 2497 B9R1.127 OC[C@@]1(Cl)C[C@H]1C(O)=O Amb24511974 [1,0,0,1,0,0|1,0,1]=4 2498 B9R1.127 OC[C@]1(Cl)C[C@H]1C(O)=O Amb25201489 [1,0,0,1,0,0|1,0,1]=4 2499 B9R1.133 O=C[C@@H]1CCS(=O)(=O)N1 Amb25062037 [1,0,0,1,0,0|1,0,1]=4 2500 B9R1.133 O=C[C@H]1CCS(=O)(=O)N1 Amb25224892 [1,0,0,1,0,0|1,0,1]=4 2501 B9R1.147 NC1(CCC(O)=O)CC1 Amb18832570 [1,0,0,1,0,0|1,0,1]=4 2502 B9R1.53 OC(=O)CC1CC(=O)N1 Amb24351879 [1,0,0,1,0,0|1,0,0]=3 2503 B9R1.53 OC1CC(C1)CC(O)=O Amb24481941 [1,0,0,1,0,0|1,0,1]=4 2504 B9R1.53 O[C@@H]1C[C@H](C1)CC(O)=O Amb25204858 [1,0,0,1,0,0|1,0,1]=4 2505 B9R1.85 OC(=O)CCC[C@H]1CO1 Amb24427275 [1,0,0,1,0,0|1,0,1]=4 2506 B9R1.161 CC(=C)[C@@H]1C[C@@H]1C(O)=O Amb24514832 [1,0,0,1,0,0|2,0,0]=4 2507 B9R1.161 CC(=O)C1C[C@H]1C(C)=O Amb25319021 [1,0,0,1,0,0|2,0,0]=4 2508 B9R1.161 CC(=O)C1OC1C(O)=O Amb25233192 [1,0,0,1,0,0|2,0,0]=4 2509 B9R1.161 NC(=O)C1CC1C(=O)O Amb17606123 [1,0,0,1,0,0|1,0,0]=3 2510 B9R1.161 NC(=O)C1OC1C(O)=O Amb25695985 [1,0,0,1,0,0|2,0,0]=4 2511 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(O)=O Amb24623178 [1,0,0,1,0,0|1,0,0]=3 2512 B9R1.161 NC(=O)[C@@H]1C[C@H]1C(N)=O Amb25273795 [1,0,0,1,0,0|2,0,0]=4 2513 B9R1.161 NC(=O)[C@H]1C[C@@H]1C(N)=O Amb24760759 [1,0,0,1,0,0|2,0,0]=4 2514 B9R1.161 NC(=O)[C@H]1C[C@H]1C(N)=O Amb24671257 [1,0,0,1,0,0|2,0,0]=4 2515 B9R1.161 NC(=O)[C@H]1O[C@H]1C(O)=O Amb25174864 [1,0,0,1,0,0|2,0,0]=4 2516 B9R1.161 OC(=O)C1CC1C(=O)O Amb1350467 [1,0,0,1,0,0|0,0,0]=2 2517 B9R1.161 OC(=O)[C@@H]1C[C@@H]1C(=O)Cl Amb25175103 [1,0,0,1,0,0|1,0,0]=3 2518 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(=O)Cl Amb24402096 [1,0,0,1,0,0|1,0,0]=3 2519 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(O)=O Amb22901897 [1,0,0,1,0,0|0,0,0]=2 2520 B9R1.161 OC(=O)[C@@H]1O[C@H]1C(O)=O Amb22799776 [1,0,0,1,0,0|1,0,0]=3 2521 B9R1.161 OC(=O)[C@H]1O[C@@H]1C(O)=O Amb22262951 [1,0,0,1,0,0|1,0,0]=3 2522 B9R1.161 [O-][N+](=O)[C@@H]1C[C@H]1C(O)=O Amb25109456 [1,0,0,1,0,0|1,0,1]=4 2523 B9R1.161 [O-][N+](=O)[C@H]1C[C@H]1C(O)=O Amb25755764 [1,0,0,1,0,0|1,0,1]=4 2524 B9R1.152 CC(=O)[C@]1(C)CC(=O)O1 Amb24340260 [0,0,0,1,1,0|2,0,0]=4 2525 B9R1.152 CC1(CC(=O)C1)C(O)=O Amb22406208 [0,0,0,1,1,0|2,0,0]=4 2526 B9R1.152 N[C@]1(C[C@@H](O)C1)C(O)=O Amb25297893 [0,0,0,1,1,0|1,0,1]=4 2527 B11R1.20 OC(=O)CC1CCC(=O)C=C1 Amb25046213 [0,0,0,1,0,1|2,0,0]=4 2528 B11R1.20 OC(=O)CC1CCC(=O)CC1 Amb10607825 [0,0,0,1,0,1|2,0,0]=4 2529 B11R1.20 OC(=O)CC1CCC(=O)NC1 Amb18200019 [0,0,0,1,0,1|2,0,0]=4 2530 B11R1.20 OC(=O)CC1CNC(=O)CN1 Amb24655930 [0,0,0,1,0,1|2,0,0]=4 2531 B11R1.20 OC(=O)C[C@@H]1CNC(=O)CN1 Amb25367224 [0,0,0,1,0,1|2,0,0]=4 2532 B11R1.20 OC(=O)C[C@H]1CCC(=O)C=C1 Amb24391524 [0,0,0,1,0,1|2,0,0]=4 2533 B11R1.74 CC1CC(CC(=O)C1)C(O)=O Amb25227466 [0,0,0,1,0,1|2,0,0]=4 2534 B11R1.74 NC1CC(NC(=O)C1)C(O)=O Amb18199921 [0,0,0,1,0,1|1,0,0]=3 2535 B11R1.74 OC(=O)[C@@H]1C[C@H](O)CC(=O)N1 Amb24693924 [0,0,0,1,0,1|2,0,0]=4 2536 B11R1.75 OC(=O)CCC1=CC(=O)NN1 Amb18200286 [0,0,0,1,0,1|1,0,1]=4 2537 B11R1.75 OC(=O)CCC1CC(=O)CC1 Amb18125974 [0,0,0,1,0,1|2,0,0]=4 2538 B11R1.75 OC(=O)CCC1CC(=O)OC1 Amb18644988 [0,0,0,1,0,1|1,0,0]=3 2539 B11R1.75 OC(=O)CCC1CCC(=O)O1 Amb18126095 [0,0,0,1,0,1|2,0,0]=4 2540 B11R1.75 OC(=O)CCC1CCC(=O)S1 Amb24487846 [0,0,0,1,0,1|2,0,0]=4 2541 B11R1.75 OC(=O)CCC1COC(=O)N1 Amb24358987 [0,0,0,1,0,1|1,0,0]=3 2542 B11R1.75 OC(=O)CCC=1NNC(=O)N1 Amb20669262 [0,0,0,1,0,1|1,0,1]=4 2543 B11R1.75 OC(=O)CC[C@H]1CCC(=O)O1 Amb24487947 [0,0,0,1,0,1|2,0,0]=4 2544 B11R1.75 OC(=O)CSC1CC(=O)OC1 Amb25111201 [0,0,0,1,0,1|2,0,0]=4 2545 B11R1.108 C=C1CC(C1C(O)=O)C(O)=O Amb25109156 [0,0,0,1,0,1|1,0,1]=4 2546 B11R1.167 C=C1CCC(N)C(C1)C(O)=O Amb24578461 [0,0,0,1,0,1|2,0,0]=4 2547 B11R1.167 C=C1CC[C@H](N)[C@@H](C1)C(O)=O Amb25252134 [0,0,0,1,0,1|2,0,0]=4 2548 B11R1.167 CC1CCC(=O)NC1C(O)=O Amb25053909 [0,0,0,1,0,1|2,0,0]=4 2549 B11R1.167 NC1CCC(O)CC1C(O)=O Amb25139597 [0,0,0,1,0,1|1,0,1]=4 2550 B11R1.167 OC(=O)[C@@H]1NC(=O)CC[C@@H]1O Amb25174915 [0,0,0,1,0,1|2,0,0]=4 2551 B11R1.167 OC(=O)[C@@H]1NC(=O)CC[C@H]1O Amb22754033 [0,0,0,1,0,1|2,0,0]=4 2552 B11R1.167 OC(=O)[C@H]1NC(=O)CC[C@@H]1O Amb25241968 [0,0,0,1,0,1|2,0,0]=4 2553 B11R1.167 OC(=O)[C@H]1NC(=O)CC[C@H]1O Amb25327757 [0,0,0,1,0,1|2,0,0]=4 2554 B11R1.645 CC(=O)C[C@@H]1OC(=O)C[C@H]1C Amb24608407 [0,0,0,1,0,1|2,0,0]=4 2555 B11R1.645 CC1=CC(=O)OC1CC(O)=O Amb18125925 [0,0,0,1,0,1|1,0,1]=4 2556 B11R1.645 CC1CC(=O)CC1CC(O)=O Amb24753844 [0,0,0,1,0,1|2,0,0]=4 2557 B11R1.645 CC1NC(=O)NC1CC(O)=O Amb25830349 [0,0,0,1,0,1|2,0,0]=4 2558 B11R1.645 C[C@@H]1CC(=O)CC1CC(O)=O Amb24693856 [0,0,0,1,0,1|2,0,0]=4 2559 B11R1.645 C[C@@H]1NC(=O)C[C@H]1CC(O)=O Amb18830651 [0,0,0,1,0,1|2,0,0]=4 2560 B11R1.645 C[C@H]1CC(=O)O[C@H]1CC(O)=O Amb25361027 [0,0,0,1,0,1|1,0,0]=3 2561 B11R1.645 OC(=O)CC1OC(=O)C=C1Br Amb17596018 [0,0,0,1,0,1|1,0,1]=4 2562 B11R1.645 OC(=O)CC1OC(=O)C=C1Cl Amb24426193 [0,0,0,1,0,1|1,0,1]=4 2563 B11R1.645 OC(=O)CC1OC(=O)CC1=O Amb24664110 [0,0,0,1,0,1|1,0,1]=4 2564 B11R1.645 OC(=O)CC1OC(=O)CC1O Amb25122786 [0,0,0,1,0,1|1,0,0]=3 2565 B11R1.645 OC(=O)C[C@@H]1OC(=O)C=C1O Amb24656939 [0,0,0,1,0,1|1,0,1]=4 2566 B11R1.645 OC(=O)C[C@@H]1OC(=O)C[C@H]1O Amb24557821 [0,0,0,1,0,1|1,0,0]=3 2567 B11R1.710 OC(=O)CC1CCS(=O)(=O)N1 Amb24595350 [0,0,0,1,0,1|1,0,1]=4 2568 B11R1.711 CC(=O)CCC1CC1C(O)=O Amb25384585 [0,0,0,1,0,1|2,0,0]=4 2569 B11R1.711 CC(=O)CC[C@@H]1C[C@@H]1C(O)=O Amb25384133 [0,0,0,1,0,1|2,0,0]=4 2570 B11R1.711 CC(=O)CC[C@H]1C[C@H]1C(O)=O Amb25383057 [0,0,0,1,0,1|2,0,0]=4 2571 B11R1.743 CC(=O)C1CC(CC(O)=O)C1 Amb25202475 [0,0,0,1,0,1|2,0,0]=4 2572 B11R1.743 CC(=O)NC1CC(C1)C(O)=O Amb23441142 [0,0,0,1,0,1|2,0,0]=4 2573 B11R1.743 CC(=O)OC1CC(C1)C(O)=O Amb25148296 [0,0,0,1,0,1|2,0,0]=4 2574 B11R1.1039 CC(=O)OC1(C)CCC(=O)O1 Amb24438445 [0,0,0,1,0,1|2,0,0]=4 2575 B11R1.1039 CC1(CCC(=O)O1)CC(O)=O Amb24635619 [0,0,0,1,0,1|1,0,0]=3 2576 B11R1.1039 C[C@@]1(CCC(=O)O1)CC(O)=O Amb25216920 [0,0,0,1,0,1|1,0,0]=3 2577 B11R1.1040 NC1CCS(=O)(=O)C1C(O)=O Amb25760102 [0,0,0,1,0,1|1,0,1]=4 2578 B11R1.21 CC1SCC(NC1=O)C(O)=O Amb23590306 [0,0,0,1,0,1|2,0,0]=4 2579 B11R1.21 NC(=O)C1CCC(N)C(=O)N1 Amb24707747 [0,0,0,1,0,1|2,0,0]=4 2580 B11R1.21 N[C@H]1CC[C@H](NC1=O)C(O)=O Amb25274959 [0,0,0,1,0,1|1,0,0]=3 2581 B11R1.21 OC(=O)C1CC(=O)C(O)CN1 Amb25279578 [0,0,0,1,0,1|2,0,0]=4 2582 B11R1.21 OC(=O)C1CC(=O)C(O)CO1 Amb24390226 [0,0,0,1,0,1|2,0,0]=4 2583 B11R1.21 OC(=O)C=1CCC(O)C(=O)C1 Amb18125930 [0,0,0,1,0,1|2,0,0]=4 2584 B11R1.21 OC(=O)[C@@H]1CC(=O)[C@@H](O)CC1 Amb25337755 [0,0,0,1,0,1|2,0,0]=4 2585 B11R1.80 CC(=O)CC1CC(C)C(=O)O1 Amb22364468 [0,0,0,1,0,1|2,0,0]=4 2586 B11R1.80 CC(=O)CC1C[C@@H](C)C(=O)O1 Amb24486324 [0,0,0,1,0,1|2,0,0]=4 2587 B11R1.80 CC(=O)CC1C[C@H](C)C(=O)O1 Amb25713684 [0,0,0,1,0,1|2,0,0]=4 2588 B11R1.80 CC1=CC(CC(O)=O)OC1=O Amb18125922 [0,0,0,1,0,1|1,0,1]=4 2589 B11R1.80 CC1CC(CC1=O)CC(O)=O Amb25733744 [0,0,0,1,0,1|2,0,0]=4 2590 B11R1.80 CN1CC(CC(O)=O)OC1=O Amb18830410 [0,0,0,1,0,1|2,0,0]=4 2591 B11R1.80 NC1CC(CC(O)=O)NC1=O Amb24559191 [0,0,0,1,0,1|1,0,0]=3 2592 B11R1.80 N[C@H]1C[C@@H](CC(O)=O)NC1=O Amb24563703 [0,0,0,1,0,1|1,0,0]=3 2593 B11R1.80 N[C@H]1C[C@H](CC(O)=O)NC1=O Amb25274953 [0,0,0,1,0,1|1,0,0]=3 2594 B11R1.80 OC(=O)C[C@@H]1C=C(F)C(=O)O1 Amb25724279 [0,0,0,1,0,1|1,0,1]=4 2595 B11R1.147 CC1C(CCC(O)=O)CC1=O Amb25074595 [0,0,0,1,0,1|2,0,0]=4 2596 B11R1.147 NC(=O)OC[C@@H]1NC(=O)[C@H]1N Amb24608863 [0,0,0,1,0,1|2,0,0]=4 2597 B11R1.175 CC(=O)C1CC(CO1)C(O)=O Amb24374536 [0,0,0,1,0,1|2,0,0]=4 2598 B11R1.175 CC(=O)C1CCC(C1)C(O)=O Amb24373216 [0,0,0,1,0,1|2,0,0]=4 2599 B11R1.175 CC(=O)N1CC(CC1)C(O)=O Amb18949041 [0,0,0,1,0,1|2,0,0]=4 2600 B11R1.175 CC(=O)[C@@H]1NC(CS1)C(O)=O Amb24487680 [0,0,0,1,0,1|1,0,0]=3 2601 B11R1.175 CC(=O)[C@H]1NC(CS1)C(O)=O Amb25226564 [0,0,0,1,0,1|1,0,0]=3 2602 B11R1.175 NC(=O)C1CCC(C1)C(O)=O Amb18126050 [0,0,0,1,0,1|2,0,0]=4 2603 B11R1.175 NC(=O)C1CCC(N1)C(N)=O Amb24093510 [0,0,0,1,0,1|2,0,0]=4 2604 B11R1.175 NC(=O)C1CCC(O1)C(O)=O Amb25111716 [0,0,0,1,0,1|2,0,0]=4 2605 B11R1.175 NC(=O)C1CCC(S1)C(O)=O Amb25323095 [0,0,0,1,0,1|2,0,0]=4 2606 B11R1.175 NC(=O)N1CC(CC1)C(O)=O Amb18280901 [0,0,0,1,0,1|2,0,0]=4 2607 B11R1.175 NC(=O)[C@@H]1C=C[C@@H](N1)C(O)=O Amb25346303 [0,0,0,1,0,1|1,0,1]=4 2608 B11R1.175 NC(=O)[C@@H]1CC[C@@H](N1)C(O)=O Amb23560440 [0,0,0,1,0,1|1,0,0]=3 2609 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(O)=O Amb24384443 [0,0,0,1,0,1|2,0,0]=4 2610 B11R1.175 NC(=O)[C@@H]1CC[C@@H](S1)C(O)=O Amb23560409 [0,0,0,1,0,1|2,0,0]=4 2611 B11R1.175 NC(=O)[C@@H]1CC[C@H](N1)C(O)=O Amb23560427 [0,0,0,1,0,1|1,0,0]=3 2612 B11R1.175 NC(=O)[C@@H]1CC[C@H](S1)C(O)=O Amb23560425 [0,0,0,1,0,1|2,0,0]=4 2613 B11R1.175 NC(=O)[C@H]1CC[C@H](N1)C(N)=O Amb25337594 [0,0,0,1,0,1|2,0,0]=4 2614 B11R1.175 NC(=O)[C@H]1CC[C@H](O1)C(O)=O Amb25143267 [0,0,0,1,0,1|2,0,0]=4 2615 B11R1.175 OC(=O)C1=CCC(O1)C(O)=O Amb24565706 [0,0,0,1,0,1|1,0,1]=4 2616 B11R1.175 OC(=O)C1C=CC(O1)C(O)=O Amb24433954 [0,0,0,1,0,1|1,0,1]=4 2617 B11R1.175 OC(=O)C1CC(CO1)C(O)=O Amb23454154 [0,0,0,1,0,1|1,0,0]=3 2618 B11R1.175 OC(=O)C1CC(CS1)C(O)=O Amb18647960 [0,0,0,1,0,1|1,0,0]=3 2619 B11R1.175 OC(=O)C1CC(SS1)C(O)=O Amb24433441 [0,0,0,1,0,1|2,0,0]=4 2620 B11R1.175 OC(=O)C1CCC(C1)C(=O)O Amb2505466 [0,0,0,1,0,1|1,0,0]=3 2621 B11R1.175 OC(=O)C1CCC(O1)C(O)=O Amb18126226 [0,0,0,1,0,1|1,0,0]=3 2622 B11R1.175 OC(=O)C1SCC(N1)C(=O)O Amb2421539 [0,0,0,1,0,1|0,0,0]=2 2623 B11R1.175 OC(=O)C=1CC(CC1)C(O)=O Amb24365900 [0,0,0,1,0,1|1,0,1]=4 2624 B11R1.175 OC(=O)[C@@H]1CC[C@@H](O1)C(=O)O Amb17620468 [0,0,0,1,0,1|1,0,0]=3 2625 B11R1.175 OC(=O)[C@@H]1CC[C@@H](S1)C(O)=O Amb23560340 [0,0,0,1,0,1|1,0,0]=3 2626 B11R1.175 OC(=O)[C@@H]1CC[C@H](N1)C(O)=O Amb25174831 [0,0,0,1,0,1|0,0,0]=2 2627 B11R1.175 OC(=O)[C@@H]1CC[C@H](S1)C(O)=O Amb23560341 [0,0,0,1,0,1|1,0,0]=3 2628 B11R1.175 OC(=O)[C@@H]1COC(N1)C(O)=O Amb24375687 [0,0,0,1,0,1|0,0,0]=2 2629 B11R1.175 OC(=O)[C@@H]1C[C@@H](CN1)C(O)=O Amb22262950 [0,0,0,1,0,1|1,0,0]=3 2630 B11R1.175 OC(=O)[C@@H]1C[C@@H](CS1)C(O)=O Amb24692652 [0,0,0,1,0,1|1,0,0]=3 2631 B11R1.175 OC(=O)[C@@H]1C[C@H](CC1)C(O)=O Amb22744933 [0,0,0,1,0,1|1,0,0]=3 2632 B11R1.175 OC(=O)[C@@H]1C[C@H](CN1)C(O)=O Amb19930523 [0,0,0,1,0,1|1,0,0]=3 2633 B11R1.175 OC(=O)[C@@H]1C[C@H](CS1)C(O)=O Amb25295506 [0,0,0,1,0,1|1,0,0]=3 2634 B11R1.175 OC(=O)[C@@H]1C[C@H](NN1)C(O)=O Amb24626610 [0,0,0,1,0,1|2,0,0]=4 2635 B11R1.175 OC(=O)[C@@H]1SC[C@H](N1)C(=O)O Amb16203732 [0,0,0,1,0,1|0,0,0]=2 2636 B11R1.175 OC(=O)[C@H]1CC(CN1)C(O)=O Amb25701728 [0,0,0,1,0,1|1,0,0]=3 2637 B11R1.175 OC(=O)[C@H]1CC[C@@H](O1)C(O)=O Amb25241964 [0,0,0,1,0,1|1,0,0]=3 2638 B11R1.175 OC(=O)[C@H]1CC[C@@H](S1)C(O)=O Amb24611890 [0,0,0,1,0,1|1,0,0]=3 2639 B11R1.175 OC(=O)[C@H]1CC[C@H](N1)C(O)=O Amb24538157 [0,0,0,1,0,1|0,0,0]=2 2640 B11R1.175 OC(=O)[C@H]1CO[C@H](O1)C(O)=O Amb24584796 [0,0,0,1,0,1|1,0,0]=3 2641 B11R1.175 OC(=O)[C@H]1CSC(N1)C(O)=O Amb24759082 [0,0,0,1,0,1|0,0,0]=2 2642 B11R1.175 OC(=O)[C@H]1CS[C@@H](N1)C(O)=O Amb24635691 [0,0,0,1,0,1|0,0,0]=2 2643 B11R1.175 OC(=O)[C@H]1CS[C@H](N1)C(O)=O Amb25179305 [0,0,0,1,0,1|0,0,0]=2 2644 B11R1.175 OC(=O)[C@H]1C[C@@H](CN1)C(O)=O Amb24559908 [0,0,0,1,0,1|1,0,0]=3 2645 B11R1.175 OC(=O)[C@H]1C[C@@H](NN1)C(O)=O Amb24061688 [0,0,0,1,0,1|2,0,0]=4 2646 B11R1.175 OC(=O)[C@H]1C[C@H](NN1)C(O)=O Amb24061689 [0,0,0,1,0,1|2,0,0]=4 2647 B11R1.175 OC(=O)[C@H]1C[C@H](SS1)C(O)=O Amb25101012 [0,0,0,1,0,1|2,0,0]=4 2648 B11R1.175 [C@H]1(CSC(N1)C(O)=O)C(O)=O Amb17872022 [0,0,0,1,0,1|0,0,0]=2 2649 B11R1.314 CC(C(O)=O)N1CC(=O)CC1 Amb25294232 [0,0,0,1,0,1|2,0,0]=4 2650 B11R1.314 CC(C1CCC(=O)N1)C(O)=O Amb24741902 [0,0,0,1,0,1|2,0,0]=4 2651 B11R1.314 CC(C1CCC(=O)O1)C(O)=O Amb25249128 [0,0,0,1,0,1|1,0,0]=3 2652 B11R1.314 CC(C1CNC(=O)C1)C(O)=O Amb24697093 [0,0,0,1,0,1|2,0,0]=4 2653 B11R1.314 CC1CCC(O1)C(N)C(O)=O Amb24390378 [0,0,0,1,0,1|1,0,1]=4 2654 B11R1.314 CC=1COC(C1)[C@H](N)C(O)=O Amb24357015 [0,0,0,1,0,1|2,0,0]=4 2655 B11R1.314 CC=1CO[C@H](C1)[C@H](N)C(O)=O Amb24610184 [0,0,0,1,0,1|2,0,0]=4 2656 B11R1.314 C[C@H]([C@@H]1CCC(=O)C1)C(O)=O Amb24580212 [0,0,0,1,0,1|2,0,0]=4 2657 B11R1.314 C[C@H]([C@H]1CCC(=O)C1)C(O)=O Amb24635654 [0,0,0,1,0,1|2,0,0]=4 2658 B11R1.314 NC(C1CC(O)=NO1)C(O)=O Amb24484694 [0,0,0,1,0,1|2,0,0]=4 2659 B11R1.314 NC(C1CC(O)CO1)C(O)=O Amb24436005 [0,0,0,1,0,1|1,0,1]=4 2660 B11R1.314 N[C@@H]([C@@H]1CC(O)=NO1)C(O)=O Amb25210833 [0,0,0,1,0,1|2,0,0]=4 2661 B11R1.314 N[C@@H]([C@H]1CC(O)=NO1)C(O)=O Amb25242466 [0,0,0,1,0,1|2,0,0]=4 2662 B11R1.314 N[C@H](C1CCC(=O)C1)C(O)=O Amb25148224 [0,0,0,1,0,1|1,0,0]=3 2663 B11R1.314 N[C@H]([C@@H]1CCC(=O)O1)C(O)=O Amb24511954 [0,0,0,1,0,1|0,0,0]=2 2664 B11R1.314 N[C@H]([C@H]1CC(=O)NO1)C(O)=O Amb24391177 [0,0,0,1,0,1|2,0,0]=4 2665 B11R1.314 OC(=O)C(F)C1C=CC(=O)O1 Amb25245697 [0,0,0,1,0,1|1,0,1]=4 2666 B11R1.314 OC(=O)C(O)C1C=CC(=O)O1 Amb24355325 [0,0,0,1,0,1|1,0,1]=4 2667 B11R1.314 OC(=O)C(O)C1CCC(=O)O1 Amb24691407 [0,0,0,1,0,1|1,0,0]=3 2668 B11R1.314 OC(=O)[C@@H](Cl)[C@H]1C=CC(=O)O1 Amb24551907 [0,0,0,1,0,1|1,0,1]=4 2669 B11R1.565 OC(=O)C1CCC(=O)NCC1 Amb24488196 [0,0,0,1,0,1|2,0,0]=4 2670 B11R1.565 OC(=O)C1CCC(=O)OCC1 Amb22001721 [0,0,0,1,0,1|2,0,0]=4 2671 B11R1.565 OC(=O)C1CCCC(=O)CC1 Amb23399610 [0,0,0,1,0,1|2,0,0]=4 2672 B11R1.565 OC(=O)C1CNC(=O)CCN1 Amb24697001 [0,0,0,1,0,1|2,0,0]=4 2673 B11R1.565 OC(=O)C1CNC(=O)CCO1 Amb24694511 [0,0,0,1,0,1|2,0,0]=4 2674 B11R1.667 CC(=O)C1(O)CCCC(=O)O1 Amb24633475 [0,0,0,1,0,1|2,0,0]=4 2675 B11R1.667 CC1(CC(=O)CCN1)C(O)=O Amb24615760 [0,0,0,1,0,1|2,0,0]=4 2676 B11R1.667 CC1(CCCC(=O)N1)C(O)=O Amb23590303 [0,0,0,1,0,1|2,0,0]=4 2677 B11R1.667 C[C@@]1(CC(=O)CCC1)C(O)=O Amb25138624 [0,0,0,1,0,1|2,0,0]=4 2678 B11R1.667 C[C@]1(CC(=O)CCC1)C(O)=O Amb25299471 [0,0,0,1,0,1|2,0,0]=4 2679 B11R1.667 NC(=O)C1(N)CC(=O)NCC1 Amb25178895 [0,0,0,1,0,1|2,0,0]=4 2680 B11R1.667 NC1(CC(=O)CCC1)C(O)=O Amb23560233 [0,0,0,1,0,1|1,0,0]=3 2681 B11R1.667 N[C@@]1(C[C@@H](O)CCC1)C(O)=O Amb25264396 [0,0,0,1,0,1|1,0,1]=4 2682 B11R1.667 N[C@@]1(C[C@H](O)CCC1)C(O)=O Amb25377812 [0,0,0,1,0,1|1,0,1]=4 2683 B11R1.667 N[C@]1(C[C@H](O)CCC1)C(O)=O Amb25288503 [0,0,0,1,0,1|1,0,1]=4 2684 B11R1.667 OC(=O)C1(O)CC(=O)CCC1 Amb25054532 [0,0,0,1,0,1|2,0,0]=4 2685 B11R1.704 NC(C1CC1C(O)=O)C(O)=O Amb24447417 [0,0,0,1,0,1|0,0,0]=2 2686 B11R1.704 NC(C1C[C@@H]1C(O)=O)C(O)=O Amb25689113 [0,0,0,1,0,1|0,0,0]=2 2687 B11R1.704 N[C@@H](C1CC1C(O)=O)C(O)=O Amb25794472 [0,0,0,1,0,1|0,0,0]=2 2688 B11R1.704 N[C@@H]([C@@H]1CC1C(O)=O)C(O)=O Amb24512148 [0,0,0,1,0,1|0,0,0]=2 2689 B11R1.704 N[C@@H]([C@@H]1C[C@@H]1C(O)=O)C(O)=O Amb22352678 [0,0,0,1,0,1|0,0,0]=2 2690 B11R1.704 N[C@@H]([C@@H]1C[C@H]1C(O)=O)C(O)=O Amb25210847 [0,0,0,1,0,1|0,0,0]=2 2691 B11R1.704 N[C@@H]([C@H]1CC1C(O)=O)C(O)=O Amb25273752 [0,0,0,1,0,1|0,0,0]=2 2692 B11R1.704 N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O Amb19930360 [0,0,0,1,0,1|0,0,0]=2 2693 B11R1.704 N[C@@H]([C@H]1C[C@H]1C(O)=O)C(O)=O Amb22388556 [0,0,0,1,0,1|0,0,0]=2 2694 B11R1.704 N[C@H]([C@@H]1CC1C(O)=O)C(O)=O Amb25274088 [0,0,0,1,0,1|0,0,0]=2 2695 B11R1.704 N[C@H]([C@@H]1C[C@@H]1C(O)=O)C(O)=O Amb25274089 [0,0,0,1,0,1|0,0,0]=2 2696 B11R1.704 N[C@H]([C@@H]1C[C@H]1C(O)=O)C(O)=O Amb25242512 [0,0,0,1,0,1|0,0,0]=2 2697 B11R1.704 N[C@H]([C@H]1C[C@H]1C(O)=O)C(O)=O Amb24692814 [0,0,0,1,0,1|0,0,0]=2 2698 B11R1.723 CC(=O)C1CCC1(C)C(O)=O Amb25858072 [0,0,0,1,0,1|2,0,0]=4 2699 B11R1.723 CC1(C=CC1C(O)=O)C(O)=O Amb24650921 [0,0,0,1,0,1|1,0,1]=4 2700 B11R1.723 NC1(CCC1C(O)=O)C(O)=O Amb24381448 [0,0,0,1,0,1|0,0,0]=2 2701 B11R1.730 OC(=O)[C@@H]1CCCS(=O)(=O)N1 Amb25080020 [0,0,0,1,0,1|1,0,1]=4 2702 B11R1.927 NC(=O)CC1CC1(N)C(O)=O Amb25738018 [0,0,0,1,0,1|1,0,0]=3 2703 B11R1.927 N[C@@]1(C[C@@H]1CC(O)=O)C(O)=O Amb19148343 [0,0,0,1,0,1|0,0,0]=2 2704 B11R1.927 N[C@@]1(C[C@@H]1CC(O)=O)C(O)=O Amb25321870 [0,0,0,1,0,1|0,0,0]=2 2705 B11R1.927 N[C@]1(C[C@H]1CC(O)=O)C(O)=O Amb25179270 [0,0,0,1,0,1|0,0,0]=2 2706 B11R1.644 CC1(C)CC(CC1=O)C(O)=O Amb24652603 [0,1,0,1,0,0|2,0,0]=4 2707 B11R1.644 CC1(C)C[C@@H](NC1=O)C(O)=O Amb19131986 [0,1,0,1,0,0|2,0,0]=4 2708 B11R1.644 OC(=O)C1CC(F)(F)C(=O)N1 Amb25828417 [0,1,0,1,0,0|2,0,0]=4 2709 B11R1.644 OC(=O)[C@@H]1CC(F)(F)C(=O)N1 Amb24509315 [0,1,0,1,0,0|2,0,0]=4 2710 B11R1.644 OC(=O)[C@H]1NC(=O)C(C1)(C)C Amb17613371 [0,1,0,1,0,0|2,0,0]=4 2711 B11R1.149 CC([C@H](N)C(O)=O)C1CC1=C Amb24626612 [0,1,0,1,0,0|2,0,0]=4 2712 B11R1.166 C=C1CC(N)C(CC1)C(O)=O Amb25264986 [0,1,0,1,0,0|2,0,0]=4 2713 B11R1.166 CC1=CC(=O)CCC1C(O)=O Amb25189150 [0,1,0,1,0,0|2,0,0]=4 2714 B11R1.166 CC1CC(=O)CCC1C(O)=O Amb18125961 [0,1,0,1,0,0|2,0,0]=4 2715 B11R1.166 CC1CC(=O)NCC1C(O)=O Amb25149101 [0,1,0,1,0,0|2,0,0]=4 2716 B11R1.166 CC1NC(=O)CCC1C(O)=O Amb25196740 [0,1,0,1,0,0|2,0,0]=4 2717 B11R1.166 CC1OC(=O)CCC1C(O)=O Amb24390903 [0,1,0,1,0,0|1,0,0]=3 2718 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(O)=O Amb24511958 [0,1,0,1,0,0|2,0,0]=4 2719 B11R1.166 C[C@@H]1OC(=O)CC[C@H]1C(O)=O Amb24563812 [0,1,0,1,0,0|1,0,0]=3 2720 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(O)=O Amb24571688 [0,1,0,1,0,0|2,0,0]=4 2721 B11R1.166 NC1CC(O)CCC1C(O)=O Amb25269549 [0,1,0,1,0,0|1,0,1]=4 2722 B11R1.166 N[C@@H]1C[C@@H](O)CC[C@@H]1C(O)=O Amb24546400 [0,1,0,1,0,0|1,0,1]=4 2723 B11R1.313 CC1C(CCC1=O)CC(O)=O Amb18125960 [0,1,0,1,0,0|2,0,0]=4 2724 B11R1.313 NC1[C@H](CC(O)=O)ONC1=O Amb25255749 [0,1,0,1,0,0|0,0,0]=2 2725 B11R1.313 OC(=O)CC1COC(=O)C1=O Amb24627056 [0,1,0,1,0,0|1,0,1]=4 2726 B11R1.490 CC1CC(=O)OC1(C)C(O)=O Amb18644983 [0,1,0,1,0,0|1,0,0]=3 2727 B11R1.490 C[C@@H]1CC(=O)O[C@]1(C)C(O)=O Amb25238261 [0,1,0,1,0,0|1,0,0]=3 2728 B11R1.519 CN1[C@H](C[C@@H]1C(O)=O)C(O)=O Amb25295430 [0,1,0,1,0,0|0,0,0]=2 2729 B11R1.672 CC1C(CC(=O)C1C)C(O)=O Amb25310961 [0,1,0,1,0,0|2,0,0]=4 2730 B11R1.672 CC1C(NC(=O)C1C)C(O)=O Amb24424008 [0,1,0,1,0,0|2,0,0]=4 2731 B11R1.672 CC1C(OC(=O)C1=O)C(O)=O Amb24634109 [0,1,0,1,0,0|1,0,1]=4 2732 B11R1.672 CC1C(OC(=O)C1C)C(O)=O Amb25111156 [0,1,0,1,0,0|1,0,0]=3 2733 B11R1.672 CC1C(OC(=O)C1O)C(O)=O Amb25191183 [0,1,0,1,0,0|1,0,0]=3 2734 B11R1.672 CC1C(OC(=O)N1C)C(O)=O Amb25217880 [0,1,0,1,0,0|2,0,0]=4 2735 B11R1.672 CC1CC(C(=C)C1=O)C(O)=O Amb25772805 [0,1,0,1,0,0|2,0,0]=4 2736 B11R1.672 CC1N[C@@H](C(O)C1=O)C(O)=O Amb25319073 [0,1,0,1,0,0|2,0,0]=4 2737 B11R1.672 CC1[C@H](NC(=O)C1C)C(O)=O Amb25109295 [0,1,0,1,0,0|2,0,0]=4 2738 B11R1.672 C[C@@H]1[C@H](NC(=O)[C@@H]1C)C(O)=O Amb24558161 [0,1,0,1,0,0|2,0,0]=4 2739 B11R1.672 NC1C(Br)C(CC1O)C(O)=O Amb25144702 [0,1,0,1,0,0|1,0,1]=4 2740 B11R1.672 NC1C(O)[C@H](NC1=O)C(O)=O Amb24582227 [0,1,0,1,0,0|1,0,0]=3 2741 B11R1.672 NC1CC(C(O)C1O)C(O)=O Amb25095206 [0,1,0,1,0,0|0,0,2]=4 2742 B11R1.672 OC(=O)[C@@H]1OC(=O)[C@@H](O)[C@H]1O Amb24711456 [0,1,0,1,0,0|1,0,0]=3 2743 B11R1.672 OC(=O)[C@H]1NC(=O)[C@@H](O)[C@H]1O Amb25241663 [0,1,0,1,0,0|2,0,0]=4 2744 B11R1.708 OC(=O)CC1CCC1C(O)=O Amb25758770 [0,1,0,1,0,0|1,0,0]=3 2745 B11R1.708 OC(=O)C[C@@H]1CC[C@H]1C(O)=O Amb24612096 [0,1,0,1,0,0|1,0,0]=3 2746 B11R1.708 OC(=O)C[C@@H]1CN[C@H]1C(O)=O Amb19131121 [0,1,0,1,0,0|0,0,0]=2 2747 B11R1.1106 NC(C1CS(=O)(=O)C1)C(O)=O Amb24610746 [0,1,0,1,0,0|1,0,1]=4 2748 B11R1.1293 CC1C(C(O)=O)C1(C)C(O)=O Amb25201988 [0,1,0,1,0,0|1,0,0]=3 2749 B11R1.1293 C[C@@H]1[C@@H](C(O)=O)[C@@]1(C)C(O)=O Amb24512172 [0,1,0,1,0,0|1,0,0]=3 2750 B11R1.1293 C[C@@H]1[C@@H](C(O)=O)[C@@]1(Cl)C(O)=O Amb24512150 [0,1,0,1,0,0|1,0,0]=3 2751 B11R1.1293 C[C@@H]1[C@@H](C(O)=O)[C@]1(Cl)C(O)=O Amb24626629 [0,1,0,1,0,0|1,0,0]=3 2752 B11R1.1293 C[C@H]1[C@@H](C(O)=O)[C@@]1(Cl)C(O)=O Amb25361066 [0,1,0,1,0,0|1,0,0]=3 2753 B11R1.220 CC1(CCC(=O)C=C1)C(O)=O Amb24728086 [0,1,0,1,0,0|2,0,0]=4 2754 B11R1.220 CC1(CCC(=O)CC1)C(O)=O Amb22227990 [0,1,0,1,0,0|2,0,0]=4 2755 B11R1.220 CC1(CNC(=O)CN1)C(O)=O Amb24742044 [0,1,0,1,0,0|2,0,0]=4 2756 B11R1.220 CC=1CCC(C)(NN1)C(O)=O Amb25102524 [0,1,0,1,0,0|2,0,0]=4 2757 B11R1.220 CC=1CCC(C)(OC1)C(O)=O Amb25274074 [0,1,0,1,0,0|2,0,0]=4 2758 B11R1.220 N[C@]1(CC[C@@H](O)CC1)C(O)=O Amb25088436 [0,1,0,1,0,0|1,0,1]=4 2759 B11R1.220 O=C1CCC(CC1)(N)C(=O)O Amb16183881 [0,1,0,1,0,0|1,0,0]=3 2760 B11R1.220 OC(=O)C1(F)CCC(=O)CC1 Amb24533003 [0,1,0,1,0,0|2,0,0]=4 2761 B11R1.738 NC1(CS(=O)(=O)CC1)C(O)=O Amb24452282 [0,1,0,1,0,0|1,0,1]=4 2762 B11R1.1389 NC1(CC(C1)C(O)=O)C(O)=O Amb23592289 [0,1,0,1,0,0|0,0,0]=2 2763 B11R1.1389 N[C@@]1(C[C@@H](C1)C(O)=O)C(O)=O Amb19297840 [0,1,0,1,0,0|0,0,0]=2 2764 B11R1.1389 N[C@@]1(C[C@H](C1)C(O)=O)C(O)=O Amb24468408 [0,1,0,1,0,0|0,0,0]=2 2765 B11R1.1391 OC(=O)CCC1(CC1)C(O)=O Amb25385134 [0,1,0,1,0,0|1,0,0]=3 2766 B11R1.1391 OC(=O)CNC1(CC1)C(O)=O Amb25382128 [0,1,0,1,0,0|2,0,0]=4 2767 B11R1.22 CC=1CCC(NN1)C(=O)OC Amb24062283 [0,1,0,1,0,0|2,0,0]=4 2768 B11R1.22 COC(=O)C1CCC(=O)CO1 Amb24569287 [0,1,0,1,0,0|2,0,0]=4 2769 B11R1.22 COC(=O)C1CCC(=O)NN1 Amb25832248 [0,1,0,1,0,0|1,0,0]=3 2770 B11R1.22 COC(=O)C1CCC(O)CN1 Amb25246969 [0,1,0,1,0,0|1,0,1]=4 2771 B11R1.22 COC(=O)C1CNC(=O)CC1 Amb19957331 [0,1,0,1,0,0|2,0,0]=4 2772 B11R1.22 COC(=O)C1CNC(=O)CN1 Amb24419888 [0,1,0,1,0,0|2,0,0]=4 2773 B11R1.22 COC(=O)[C@@H]1CC[C@H](O)CN1 Amb24571184 [0,1,0,1,0,0|1,0,1]=4 2774 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 Amb10608895 [0,1,0,1,0,0|2,0,0]=4 2775 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 Amb22748852 [0,1,0,1,0,0|2,0,0]=4 2776 B11R1.22 COC(=O)[C@H]1CNC(=O)CN1 Amb10608896 [0,1,0,1,0,0|2,0,0]=4 2777 B11R1.48 CCC1CC(NC1=O)C(O)=O Amb24340377 [0,1,0,1,0,0|2,0,0]=4 2778 B11R1.48 CCC1CC(OC1=O)C(N)=O Amb25060699 [0,1,0,1,0,0|2,0,0]=4 2779 B11R1.48 CCC1CC(OC1=O)C(O)=O Amb17806220 [0,1,0,1,0,0|1,0,0]=3 2780 B11R1.48 CCC1C[C@H](NC1=O)C(O)=O Amb25088385 [0,1,0,1,0,0|2,0,0]=4 2781 B11R1.48 NCC1CC(NC1=O)C(O)=O Amb25288332 [0,1,0,1,0,0|1,0,0]=3 2782 B11R1.48 NC[C@H]1C[C@H](NC1=O)C(O)=O Amb25348489 [0,1,0,1,0,0|1,0,0]=3 2783 B11R1.90 CC(=O)CCC1CCOC1=O Amb24340379 [0,1,0,1,0,0|2,0,0]=4 2784 B11R1.90 OC(=O)CCC1CCCC1=O Amb17400002 [0,1,0,1,0,0|2,0,0]=4 2785 B11R1.90 OC(=O)CCC1CCOC1=O Amb10669454 [0,1,0,1,0,0|1,0,0]=3 2786 B11R1.90 OC(=O)CCC1N=CNC1=O Amb25028108 [0,1,0,1,0,0|1,0,1]=4 2787 B11R1.90 OC(=O)CCC1NCCC1=O Amb22536281 [0,1,0,1,0,0|1,0,0]=3 2788 B11R1.90 OC(=O)CCC1SCCC1=O Amb24365973 [0,1,0,1,0,0|2,0,0]=4 2789 B11R1.90 OC(=O)CCN1N=COC1=O Amb24743681 [0,1,0,1,0,0|1,0,1]=4 2790 B11R1.90 OC(=O)CN[C@@H]1CCOC1=O Amb25112698 [0,1,0,1,0,0|2,0,0]=4 2791 B11R1.90 O[C@@H]1CCN[C@@H]1CCC(O)=O Amb24744778 [0,1,0,1,0,0|1,0,1]=4 2792 B11R1.90 O[C@H]1CCN[C@@H]1CCC(O)=O Amb24617811 [0,1,0,1,0,0|1,0,1]=4 2793 B11R1.853 CC(=O)C1CC(C1)C(=O)OC Amb25069415 [0,1,0,1,0,0|2,0,0]=4 2794 B11R1.853 COC(=O)C1CC(C1)C(O)=O Amb22504357 [0,1,0,1,0,0|1,0,0]=3 2795 B11R1.853 COC(=O)C1CC(O1)C(O)=O Amb25853830 [0,1,0,1,0,0|1,0,0]=3 2796 B11R1.853 COC(=O)N1CC(C1)C(O)=O Amb24486045 [0,1,0,1,0,0|2,0,0]=4 2797 B11R1.853 COC(=O)[C@@H]1C[C@@H](N1)C(O)=O Amb25264053 [0,1,0,1,0,0|0,0,0]=2 2798 B11R1.885 COC(=O)C1(C)CC(=O)CC1 Amb23454224 [0,1,0,1,0,0|2,0,0]=4 2799 B11R1.885 COC(=O)C1(C)CCC(=O)N1 Amb23596470 [0,1,0,1,0,0|2,0,0]=4 2800 B11R1.885 COC(=O)[C@]1(C)COC(=O)O1 Amb25675732 [0,1,0,1,0,0|2,0,0]=4 2801 B11R1.888 COC(=O)C1(C)CC1C(O)=O Amb25104877 [0,1,0,1,0,0|1,0,0]=3 2802 B11R1.3 OC(=O)C1CCC(CC1)=NO Amb24487946 [0,1,0,1,0,0|2,0,0]=4 2803 B11R1.226 CC1CC(CC1=O)C(=O)OC Amb24706990 [0,1,0,1,0,0|2,0,0]=4 2804 B11R1.226 CC1CC(NC1=O)C(=O)OC Amb24682118 [0,1,0,1,0,0|2,0,0]=4 2805 B11R1.226 CC1C[C@@H](CC1=O)C(=O)OC Amb24528915 [0,1,0,1,0,0|2,0,0]=4 2806 B11R1.226 COC(=O)C1CC(N)C(=O)N1 Amb18126108 [0,1,0,1,0,0|1,0,0]=3 2807 B11R1.226 COC(=O)C1CC(N)C(O)C1 Amb25228978 [0,1,0,1,0,0|1,0,1]=4 2808 B11R1.226 COC(=O)C1C[C@@H](N)[C@H](O)C1 Amb23456143 [0,1,0,1,0,0|1,0,1]=4 2809 B11R1.226 COC(=O)[C@@H]1CC(O)C(=O)N1 Amb24392740 [0,1,0,1,0,0|2,0,0]=4 2810 B11R1.226 COC(=O)[C@@H]1C[C@@H](O)C(=O)O1 Amb24719560 [0,1,0,1,0,0|1,0,0]=3 2811 B11R1.226 COC(=O)[C@@H]1C[C@H](F)C(=O)N1 Amb24512998 [0,1,0,1,0,0|2,0,0]=4 2812 B11R1.226 COC(=O)[C@@H]1C[C@H](N)C(=O)N1 Amb25217050 [0,1,0,1,0,0|1,0,0]=3 2813 B11R1.226 COC(=O)[C@@H]1C[C@H](O)C(=O)N1 Amb24555635 [0,1,0,1,0,0|2,0,0]=4 2814 B11R1.226 COC(=O)[C@H]1C[C@@H](N)[C@H](O)C1 Amb25263789 [0,1,0,1,0,0|1,0,1]=4 2815 B11R1.226 C[C@H]1C[C@H](NC1=O)C(=O)OC Amb25256067 [0,1,0,1,0,0|2,0,0]=4 2816 B11R1.226 N[C@@H]1C[C@@H](OC1=O)[C@H](O)CO Amb25258424 [0,1,0,1,0,0|0,0,2]=4 2817 B11R1.226 N[C@H]1C[C@H](OC1=O)[C@H](O)CO Amb25227831 [0,1,0,1,0,0|0,0,2]=4 2818 B11R1.321 COC1CC(C1)C(N)C(O)=O Amb24742556 [0,1,0,1,0,0|1,0,1]=4 2819 B11R1.868 CC(=O)[C@@]1(C)C[C@H]1C(=O)OC Amb25370613 [0,1,0,1,0,0|2,0,0]=4 2820 B11R1.868 CCC(=O)C1CC1(C)C(O)=O Amb25780602 [0,1,0,1,0,0|2,0,0]=4 2821 B11R1.868 COC(=O)[C@H]1C[C@@]1(C)C(O)=O Amb25363170 [0,1,0,1,0,0|1,0,0]=3 2822 B11R1.892 CC(=O)[C@H]1C[C@@H]1CC(=O)OC Amb25384084 [0,1,0,1,0,0|2,0,0]=4 2823 B11R1.1229 CC1(C\C(\CC1)=N/O)C(O)=O Amb25331146 [0,1,0,1,0,0|2,0,0]=4 2824 B11R1.1229 COC1CC(N)(CC1)C(O)=O Amb25678284 [0,1,0,1,0,0|1,0,1]=4 2825 B11R1.1270 CN1C(=O)CCC1(C)C(O)=O Amb23515115 [0,1,0,1,0,0|2,0,0]=4 2826 B11R1.1270 CN1C(=O)CCC1(O)C(O)=O Amb24487847 [0,1,0,1,0,0|2,0,0]=4 2827 B11R1.62 CCC1C(CC(O)=O)NC1=O Amb25690284 [0,1,0,1,0,0|2,0,0]=4 2828 B11R1.416 C#C[C@]1(CCC(=O)N1)C(O)=O Amb24677070 [0,1,0,1,0,0|2,0,0]=4 2829 B11R1.416 CCC1(CC(=O)CC1)C(O)=O Amb23454236 [0,1,0,1,0,0|2,0,0]=4 2830 B11R1.416 CCC1(CCC(=O)O1)C(O)=O Amb17705275 [0,1,0,1,0,0|1,0,0]=3 2831 B11R1.416 CC[C@@]1(CCC(=O)O1)C(O)=O Amb24532969 [0,1,0,1,0,0|1,0,0]=3 2832 B11R1.416 CC[C@]1(CCC(=O)O1)C(O)=O Amb24647527 [0,1,0,1,0,0|1,0,0]=3 2833 B11R1.416 NCC1(CCC(=O)O1)C(O)=O Amb25060776 [0,1,0,1,0,0|0,0,0]=2 2834 B11R1.416 OC(=O)C1(CCC(=O)N1)CO Amb24538232 [0,1,0,1,0,0|2,0,0]=4 2835 B11R1.416 OC(=O)C1(CCl)CCC(=O)O1 Amb18648181 [0,1,0,1,0,0|1,0,0]=3 2836 B11R1.416 OC(=O)[C@@]1(CCC(=O)O1)CO Amb24729549 [0,1,0,1,0,0|1,0,0]=3 2837 B11R1.416 OC(=O)[C@]1(CCC(=O)N1)CO Amb25288092 [0,1,0,1,0,0|2,0,0]=4 2838 B11R1.418 CCC1(CC1C(O)=O)C(O)=O Amb25772933 [0,1,0,1,0,0|1,0,0]=3 2839 B11R1.418 CC[C@@]1(O[C@H]1C(O)=O)C(O)=O Amb24692745 [0,1,0,1,0,0|2,0,0]=4 2840 B11R1.418 CC[C@]1(C[C@@H]1C(O)=O)C(O)=O Amb24511921 [0,1,0,1,0,0|1,0,0]=3 2841 B11R1.418 COC1(CC1C(O)=O)C(O)=O Amb24385414 [0,1,0,1,0,0|1,0,0]=3 2842 B11R1.418 CS[C@@]1(C[C@@H]1C(O)=O)C(O)=O Amb24580417 [0,1,0,1,0,0|1,0,0]=3 2843 B11R1.418 CS[C@]1(C[C@H]1C(O)=O)C(O)=O Amb25176096 [0,1,0,1,0,0|1,0,0]=3 2844 B11R1.515 CN1[C@@H](CCS1(=O)=O)C(O)=O Amb25790970 [0,1,0,1,0,0|1,0,1]=4 2845 B11R1.79 NC1CC(OC1=O)P(O)(O)=O Amb24610124 [0,1,0,1,0,0|1,0,0]=3 2846 B11R1.733 CS(=O)(=O)C1CC1(N)C(O)=O Amb23454401 [0,1,0,1,0,0|1,0,1]=4 2847 B11R1.487 CC1(CC(=C)C(=O)O1)C(O)=O Amb25108189 [0,1,0,1,0,0|1,0,1]=4 2848 B11R1.487 CC1(CC(N)C(=O)O1)C(O)=O Amb24561712 [0,1,0,1,0,0|0,0,0]=2 2849 B11R1.487 CC1CC(C)(CC1=O)C(O)=O Amb18125975 [0,1,0,1,0,0|2,0,0]=4 2850 B11R1.487 CC1CC(O)(NC1=O)C(O)=O Amb24694924 [0,1,0,1,0,0|2,0,0]=4 2851 B11R1.487 CC1SC(C)(OC1=O)C(O)=O Amb24488008 [0,1,0,1,0,0|2,0,0]=4 2852 B11R1.487 C[C@@H]1C[C@@](C)(CC1=O)C(O)=O Amb23454062 [0,1,0,1,0,0|2,0,0]=4 2853 B11R1.487 C[C@@H]1C[C@](C)(CC1=O)C(O)=O Amb23454061 [0,1,0,1,0,0|2,0,0]=4 2854 B11R1.487 C[C@]1(CC(=C)C(=O)O1)C(O)=O Amb25783891 [0,1,0,1,0,0|1,0,1]=4 2855 B11R1.487 OC(=O)C1(O)CC(O)C(=O)O1 Amb25320929 [0,1,0,1,0,0|1,0,0]=3 2856 B11R1.1387 CC1(CC1(C)C(=O)Cl)C(O)=O Amb25207779 [0,1,0,1,0,0|2,0,0]=4 2857 B11R1.1387 CC1(CC1(C)C(O)=O)C(O)=O Amb25373993 [0,1,0,1,0,0|1,0,0]=3 2858 B11R1.1387 CC1(CC1(Cl)C(O)=O)C(O)=O Amb25363285 [0,1,0,1,0,0|1,0,0]=3 2859 B11R1.1387 CC1(OC1(C)C(O)=O)C(O)=O Amb25315650 [0,1,0,1,0,0|2,0,0]=4 2860 B11R1.1387 C[C@@]1(C[C@]1(C)C(=O)Cl)C(O)=O Amb25075763 [0,1,0,1,0,0|2,0,0]=4 2861 B11R1.1387 C[C@]1(C[C@@]1(C)C(=O)Cl)C(O)=O Amb25227393 [0,1,0,1,0,0|2,0,0]=4 2862 B11R2.746 OC(=O)C12CC1C(=O)C=C2 Amb24358372 [0,0,0,2,0,0|2,0,0]=4 2863 B11R2.746 OC(=O)C12CNC(=O)C1C2 Amb25225360 [0,0,0,2,0,0|2,0,0]=4 2864 B11R2.839 OC(=O)C1CC2OC2CN1 Amb25849260 [0,0,0,2,0,0|1,0,1]=4 2865 B11R2.706 CC(=O)C1CC12CC(=O)O2 Amb24524369 [0,0,0,2,0,0|2,0,0]=4 2866 B11R2.1850 NC1(CC2OC2C1)C(O)=O Amb25672225 [0,0,0,2,0,0|1,0,1]=4 2867 B11R2.411 OC(=O)C12CC1CC(=O)N2 Amb24480704 [0,0,0,2,0,0|2,0,0]=4 2868 B7R0.2 C#CC(N)CC(O)=O Amb24529562 [1,0,0,0,1,0|1,0,1]=4 2869 B7R0.2 C=CC(Br)CC(O)=O Amb18125534 [1,0,0,0,1,0|2,0,0]=4 2870 B7R0.2 C=CC(Cl)CC(O)=O Amb18124408 [1,0,0,0,1,0|2,0,0]=4 2871 B7R0.2 C=CC(F)CC(O)=O Amb25359137 [1,0,0,0,1,0|2,0,0]=4 2872 B7R0.2 C=CC(N)CC(O)=O Amb22641963 [1,0,0,0,1,0|1,0,0]=3 2873 B7R0.2 C=CC(O)CC(O)=O Amb18641866 [1,0,0,0,1,0|2,0,0]=4 2874 B7R0.2 C=C[C@@H](O)CC(O)=O Amb25314661 [1,0,0,0,1,0|2,0,0]=4 2875 B7R0.2 C=C[C@H](O)CC(O)=O Amb25844309 [1,0,0,0,1,0|2,0,0]=4 2876 B7R0.2 CC(=O)CC(O)C=O Amb24481554 [1,0,0,0,1,0|2,0,0]=4 2877 B7R0.2 CC(=O)CC(S)C=O Amb25838806 [1,0,0,0,1,0|2,0,0]=4 2878 B7R0.2 CC(CC(C)=O)C=O Amb18641789 [1,0,0,0,1,0|2,0,0]=4 2879 B7R0.2 CC(CC(O)=O)C=C Amb18641774 [1,0,0,0,1,0|2,0,0]=4 2880 B7R0.2 CC(CC(O)=O)C=O Amb25836603 [1,0,0,0,1,0|1,0,0]=3 2881 B7R0.2 CC(CC(O)=O)CO Amb18198168 [1,0,0,0,1,0|1,0,1]=4 2882 B7R0.2 CCC(CC(=O)O)N Amb1993862 [1,0,0,0,1,0|1,0,1]=4 2883 B7R0.2 CC[C@@H](N)CC(O)=O Amb22225305 [1,0,0,0,1,0|1,0,1]=4 2884 B7R0.2 CC[C@H](N)CC(O)=O Amb22226650 [1,0,0,0,1,0|1,0,1]=4 2885 B7R0.2 CN(CC(O)=O)C=O Amb18951578 [1,0,0,0,1,0|2,0,0]=4 2886 B7R0.2 C[C@@H](CC(C)=O)C=O Amb24379584 [1,0,0,0,1,0|2,0,0]=4 2887 B7R0.2 C[C@H](CC(O)=O)C=C Amb25791667 [1,0,0,0,1,0|2,0,0]=4 2888 B7R0.2 NC(CC(N)=O)C=O Amb24482471 [1,0,0,0,1,0|1,0,0]=3 2889 B7R0.2 NC(CF)CC(O)=O Amb24428065 [1,0,0,0,1,0|1,0,1]=4 2890 B7R0.2 NC(CO)CC(N)=O Amb24384089 [1,0,0,0,1,0|1,0,1]=4 2891 B7R0.2 NC(CS)CC(O)=O Amb25090412 [1,0,0,0,1,0|0,1,1]=4 2892 B7R0.2 NCC(N)CC(O)=O Amb19515145 [1,0,0,0,1,0|1,0,1]=4 2893 B7R0.2 NCC(N)CC(O)=O Amb21858324 [1,0,0,0,1,0|1,0,1]=4 2894 B7R0.2 NCC(N)CC(O)=O Amb22751661 [1,0,0,0,1,0|1,0,1]=4 2895 B7R0.2 NC[C@@H](N)CC(O)=O Amb22751651 [1,0,0,0,1,0|1,0,1]=4 2896 B7R0.2 NC[C@@H](N)CC(O)=O Amb25829509 [1,0,0,0,1,0|1,0,1]=4 2897 B7R0.2 NC[C@H](CC(=O)O)N Amb10603267 [1,0,0,0,1,0|1,0,1]=4 2898 B7R0.2 NC[C@H](N)CC(O)=O Amb25378712 [1,0,0,0,1,0|1,0,1]=4 2899 B7R0.2 N[C@@H](CC(N)=O)C=O Amb24446454 [1,0,0,0,1,0|1,0,0]=3 2900 B7R0.2 N[C@@H](CC(O)=O)C#N Amb25757887 [1,0,0,0,1,0|1,0,1]=4 2901 B7R0.2 N[C@@H](CC([O-])=O)C=O Amb22800169 [1,0,0,0,1,0|0,0,1]=3 2902 B7R0.2 N[C@@H](CO)CC(N)=O Amb24704927 [1,0,0,0,1,0|1,0,1]=4 2903 B7R0.2 N[C@H](CC(O)=O)C=O Amb24643781 [1,0,0,0,1,0|0,0,0]=2 2904 B7R0.2 N[C@H](CC(O)=O)CO Amb22388520 [1,0,0,0,1,0|0,0,1]=3 2905 B7R0.2 N[C@H](CO)CC(N)=O Amb24599306 [1,0,0,0,1,0|1,0,1]=4 2906 B7R0.2 OC(=O)CC(F)C=O Amb25114270 [1,0,0,0,1,0|1,0,0]=3 2907 B7R0.2 OC(=O)CN(O)C=O Amb25367291 [1,0,0,0,1,0|2,0,0]=4 2908 B7R0.2 OC[C@@H](CC(=O)O)N Amb16184020 [1,0,0,0,1,0|0,0,1]=3 2909 B7R0.2 OC[C@H](O)CC(O)=O Amb25326979 [1,0,0,0,1,0|1,0,1]=4 2910 B7R0.2 [O-]C(=O)CC(O)C=O Amb22733997 [1,0,0,0,1,0|1,0,1]=4 2911 B7R0.16 BrC(C(=O)O)C(=O)O Amb17594708 [0,0,0,0,2,0|1,0,0]=3 2912 B7R0.16 C=C(Br)[C@H](N)C(O)=O Amb24383876 [0,0,0,0,2,0|2,0,0]=4 2913 B7R0.16 C=C(C(O)=O)C(O)=O Amb24481368 [0,0,0,0,2,0|1,0,1]=4 2914 B7R0.16 C=C(Cl)C(N)C(O)=O Amb18643039 [0,0,0,0,2,0|2,0,0]=4 2915 B7R0.16 C=C(F)C(N)C(O)=O Amb18641967 [0,0,0,0,2,0|2,0,0]=4 2916 B7R0.16 CC(=C)C(N)C(O)=O Amb18641831 [0,0,0,0,2,0|2,0,0]=4 2917 B7R0.16 CC(=O)C(N)C(O)=O Amb21962887 [0,0,0,0,2,0|1,0,0]=3 2918 B7R0.16 CC(C(=O)O)C(=O)C Amb10601660 [0,0,0,0,2,0|2,0,0]=4 2919 B7R0.16 CC(C(O)=O)S(O)=O Amb25680146 [0,0,0,0,2,0|2,0,0]=4 2920 B7R0.16 C[C@@H](O)[13C@H](N)[13C](O)=O Amb22336905 [0,0,0,0,2,0|1,0,1]=4 2921 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O Amb22351168 [0,0,0,0,2,0|1,0,1]=4 2922 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(O)=O Amb22353591 [0,0,0,0,2,0|1,0,1]=4 2923 B7R0.16 C[C@H](O)C(N)C(O)=O Amb24377632 [0,0,0,0,2,0|1,0,1]=4 2924 B7R0.16 C[C@H]([C@@H]([13C](=O)O)N)O Amb17620634 [0,0,0,0,2,0|1,0,1]=4 2925 B7R0.16 C\C(\O)=C(\N)/C(O)=O Amb25320750 [0,0,0,0,2,0|1,0,1]=4 2926 B7R0.16 N=C(C(O)=O)C(O)=O Amb24334530 [0,0,0,0,2,0|0,0,2]=4 2927 B7R0.16 NC(=O)C(Cl)C(O)=O Amb25756168 [0,0,0,0,2,0|2,0,0]=4 2928 B7R0.16 NC(=O)C(F)C(O)=O Amb25376646 [0,0,0,0,2,0|2,0,0]=4 2929 B7R0.16 NC(=O)C(N)C(O)=O Amb24552728 [0,0,0,0,2,0|1,0,0]=3 2930 B7R0.16 NC(=O)C(O)C(O)=O Amb24548669 [0,0,0,0,2,0|2,0,0]=4 2931 B7R0.16 NC(C(=O)O)C(=O)O Amb10603956 [0,0,0,0,2,0|0,0,0]=2 2932 B7R0.16 NC(C(O)=O)S(O)=O Amb24464759 [0,0,0,0,2,0|1,0,0]=3 2933 B7R0.16 NC(C(O)O)C(O)=O Amb25682498 [0,0,0,0,2,0|0,0,2]=4 2934 B7R0.16 OC(=O)C(=O)C(O)=O Amb18641943 [0,0,0,0,2,0|1,0,1]=4 2935 B7R0.16 OC(=O)C(=O)C(O)=O Amb22230802 [0,0,0,0,2,0|1,0,1]=4 2936 B7R0.16 OC(=O)C(=S)C(O)=O Amb24544781 [0,0,0,0,2,0|1,0,1]=4 2937 B7R0.16 OC(=O)C(Cl)C(O)=O Amb18643353 [0,0,0,0,2,0|1,0,0]=3 2938 B7R0.16 OC(=O)C(F)C(O)=O Amb24055884 [0,0,0,0,2,0|1,0,0]=3 2939 B7R0.16 OC(C(=O)O)C(=O)O Amb1215315 [0,0,0,0,2,0|1,0,0]=3 2940 B7R0.16 OC(C(O)=O)S(O)=O Amb24551214 [0,0,0,0,2,0|2,0,0]=4 2941 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](O)=O Amb22353590 [0,0,0,0,2,0|1,0,1]=4 2942 B7R0.16 [14CH3][14CH](O)[14CH](N)[14C](O)=O Amb22352529 [0,0,0,0,2,0|1,0,1]=4 2943 B9R0.4 C=CCCC(N)CC(N)=O Amb25367476 [1,0,0,0,0,1|2,0,0]=4 2944 B9R0.4 C=CCCC(N)CC(O)=O Amb22641959 [1,0,0,0,0,1|1,0,0]=3 2945 B9R0.4 C=CCCC(O)CC(O)=O Amb24763775 [1,0,0,0,0,1|2,0,0]=4 2946 B9R0.4 C=CCC[C@@H](CC(=O)O)N Amb10066917 [1,0,0,0,0,1|1,0,0]=3 2947 B9R0.4 C=CCC[C@H](CC(=O)O)N Amb10066925 [1,0,0,0,0,1|1,0,0]=3 2948 B9R0.4 CC(CC(O)=O)CCC=C Amb18643923 [1,0,0,0,0,1|2,0,0]=4 2949 B9R0.4 CCCCC(CC(=O)O)N Amb1993866 [1,0,0,0,0,1|1,0,1]=4 2950 B9R0.4 CNCC[C@@H](N)CC(O)=O Amb24117036 [1,0,0,0,0,1|2,0,0]=4 2951 B9R0.4 CNCC[C@H](N)CC(O)=O Amb25789535 [1,0,0,0,0,1|2,0,0]=4 2952 B9R0.4 CSCCC(N)CC(O)=O Amb22353181 [1,0,0,0,0,1|2,0,0]=4 2953 B9R0.4 CSCC[C@@H](CC(=O)O)N Amb16184019 [1,0,0,0,0,1|2,0,0]=4 2954 B9R0.4 CSCC[C@H](N)CC(O)=O Amb22352993 [1,0,0,0,0,1|2,0,0]=4 2955 B9R0.4 C[C@H](CC(C)=O)CCC=O Amb25131149 [1,0,0,0,0,1|2,0,0]=4 2956 B9R0.4 C[C@H](CC(O)=O)CCC=C Amb24674116 [1,0,0,0,0,1|2,0,0]=4 2957 B9R0.4 NC(CCCS)CC(O)=O Amb24524306 [1,0,0,0,0,1|0,1,1]=4 2958 B9R0.4 NCCCC(N)CC(O)=O Amb18644278 [1,0,0,0,0,1|1,0,1]=4 2959 B9R0.4 NCCC[C@@H](N)CC(O)=O Amb24117039 [1,0,0,0,0,1|1,0,1]=4 2960 B9R0.4 NCCC[C@@H](N)CC(O)=O Amb24117927 [1,0,0,0,0,1|1,0,1]=4 2961 B9R0.4 NCCC[C@H](N)CC(O)=O Amb25757485 [1,0,0,0,0,1|1,0,1]=4 2962 B9R0.55 CC(=C)CCOCC(O)=O Amb18644114 [1,0,0,0,0,1|2,0,0]=4 2963 B9R0.55 CC(=O)CCCC=C(C)O Amb24627452 [1,0,0,0,0,1|2,0,0]=4 2964 B9R0.55 CC(=O)CCCCC(=O)C Amb17593600 [1,0,0,0,0,1|2,0,0]=4 2965 B9R0.55 CC(=O)CCCCC(N)=O Amb24505160 [1,0,0,0,0,1|2,0,0]=4 2966 B9R0.55 CC(=O)CCCNC(N)=O Amb24333544 [1,0,0,0,0,1|2,0,0]=4 2967 B9R0.55 CC(=O)CCCOC(=O)C Amb1033031 [1,0,0,0,0,1|2,0,0]=4 2968 B9R0.55 CC(=O)CCCOC(=O)Cl Amb25146796 [1,0,0,0,0,1|2,0,0]=4 2969 B9R0.55 CC(=O)CCCSC(C)=O Amb24662493 [1,0,0,0,0,1|2,0,0]=4 2970 B9R0.55 CC(=O)CCC\C=C(\C)/O Amb24546380 [1,0,0,0,0,1|2,0,0]=4 2971 B9R0.55 CC(=O)CCSCC(N)=O Amb24733496 [1,0,0,0,0,1|2,0,0]=4 2972 B9R0.55 CC(=O)CCSCC(O)=O Amb24443138 [1,0,0,0,0,1|1,0,0]=3 2973 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [1,0,0,0,0,1|1,0,1]=4 2974 B9R0.55 CC(=O)CSCCC(C)=O Amb24361719 [1,0,0,0,0,1|2,0,0]=4 2975 B9R0.55 CC(=O)OCCCC(=O)Cl Amb25174238 [1,0,0,0,0,1|2,0,0]=4 2976 B9R0.55 CC(=O)OCCCC(N)=O Amb25333292 [1,0,0,0,0,1|2,0,0]=4 2977 B9R0.55 CC(=O)OCCCC(O)=O Amb24480808 [1,0,0,0,0,1|1,0,0]=3 2978 B9R0.55 CC(Br)=CCCCC(O)=O Amb25289201 [1,0,0,0,0,1|2,0,0]=4 2979 B9R0.55 CC(C)=CCCCC(O)=O Amb18643939 [1,0,0,0,0,1|2,0,0]=4 2980 B9R0.55 CC(O)CCCCC(O)=O Amb18644264 [1,0,0,0,0,1|1,0,1]=4 2981 B9R0.55 CC(O)CCNCC(O)=O Amb25369892 [1,0,0,0,0,1|1,0,1]=4 2982 B9R0.55 CC(O)COCCC(O)=O Amb24746704 [1,0,0,0,0,1|1,0,1]=4 2983 B9R0.55 CC(O)CSCCC(O)=O Amb18792572 [1,0,0,0,0,1|1,0,1]=4 2984 B9R0.55 CP(=O)CCCCC(O)=O Amb25765822 [1,0,0,0,0,1|2,0,0]=4 2985 B9R0.55 CS(=O)CCCCC(O)=O Amb18788305 [1,0,0,0,0,1|2,0,0]=4 2986 B9R0.55 CS(=O)CCNCC(O)=O Amb24396496 [1,0,0,0,0,1|2,0,0]=4 2987 B9R0.55 CS(=O)CCOCC(O)=O Amb24600087 [1,0,0,0,0,1|2,0,0]=4 2988 B9R0.55 CS(=O)NCCCC(O)=O Amb24753135 [1,0,0,0,0,1|2,0,0]=4 2989 B9R0.55 C[C@@H](O)CCCCC(O)=O Amb24427549 [1,0,0,0,0,1|1,0,1]=4 2990 B9R0.55 C[C@H](O)CCCCC(O)=O Amb24671333 [1,0,0,0,0,1|1,0,1]=4 2991 B9R0.55 NC(=N)CCCCC(O)=O Amb25147486 [1,0,0,0,0,1|2,0,0]=4 2992 B9R0.55 NC(=N)CNCCC(O)=O Amb24394430 [1,0,0,0,0,1|2,0,0]=4 2993 B9R0.55 NC(=O)CCCNC(N)=O Amb24705966 [1,0,0,0,0,1|2,0,0]=4 2994 B9R0.55 NC(=O)CCCOP(O)=O Amb25078195 [1,0,0,0,0,1|2,0,0]=4 2995 B9R0.55 NC(=O)CCOCC(O)=O Amb25146949 [1,0,0,0,0,1|1,0,0]=3 2996 B9R0.55 NC(=O)COCCC(N)=O Amb25063003 [1,0,0,0,0,1|2,0,0]=4 2997 B9R0.55 NC(=O)\C=C\CCC(O)=O Amb25146295 [1,0,0,0,0,1|1,0,1]=4 2998 B9R0.55 OB(O)CCSCC(O)=O Amb24652590 [1,0,0,0,0,1|1,0,1]=4 2999 B9R0.55 OC(=O)C=NOCC(O)=O Amb25175100 [1,0,0,0,0,1|1,0,1]=4 3000 B9R0.55 OC(=O)CCC=CC(O)=O Amb20622952 [1,0,0,0,0,1|0,0,1]=3 3001 B9R0.55 OC(=O)CCCC=C(Cl)Cl Amb24441631 [1,0,0,0,0,1|2,0,0]=4 3002 B9R0.55 OC(=O)CCCCC(O)=O Amb22043229 [1,0,0,0,0,1|0,0,0]=2 3003 B9R0.55 OC(=O)CCCCC(O)=O Amb22167453 [1,0,0,0,0,1|0,0,0]=2 3004 B9R0.55 OC(=O)CCCCC(O)=O Amb22336279 [1,0,0,0,0,1|0,0,0]=2 3005 B9R0.55 OC(=O)CCCCC(O)=O Amb22338188 [1,0,0,0,0,1|0,0,0]=2 3006 B9R0.55 OC(=O)CCCCC(O)=O Amb22351345 [1,0,0,0,0,1|0,0,0]=2 3007 B9R0.55 OC(=O)CCCCC(O)=O Amb22351401 [1,0,0,0,0,1|0,0,0]=2 3008 B9R0.55 OC(=O)CCCCC(O)=O Amb22351452 [1,0,0,0,0,1|0,0,0]=2 3009 B9R0.55 OC(=O)CCCCC(O)=O Amb22351586 [1,0,0,0,0,1|0,0,0]=2 3010 B9R0.55 OC(=O)CCCCC(O)=O Amb22353360 [1,0,0,0,0,1|0,0,0]=2 3011 B9R0.55 OC(=O)CCCCC(O)=O Amb22363211 [1,0,0,0,0,1|0,0,0]=2 3012 B9R0.55 OC(=O)CCCNC(=O)N Amb1104859 [1,0,0,0,0,1|1,0,0]=3 3013 B9R0.55 OC(=O)CCCNC(S)=S Amb24482221 [1,0,0,0,0,1|0,2,0]=4 3014 B9R0.55 OC(=O)CC\C=C\C(O)=O Amb24117843 [1,0,0,0,0,1|0,0,1]=3 3015 B9R0.55 OC(=O)CNCCC(O)=O Amb18098292 [1,0,0,0,0,1|0,0,0]=2 3016 B9R0.55 OC(=O)CNCCS(=O)=O Amb25249489 [1,0,0,0,0,1|1,0,1]=4 3017 B9R0.55 OC(=O)CNNCC(O)=O Amb23438062 [1,0,0,0,0,1|1,0,0]=3 3018 B9R0.55 OC(=O)COCCC(O)=O Amb25046530 [1,0,0,0,0,1|0,0,0]=2 3019 B9R0.55 OC(=O)CSCCC(=O)O Amb17594067 [1,0,0,0,0,1|0,0,0]=2 3020 B9R0.55 OC(=O)CSCCC(=S)N Amb17503232 [1,0,0,0,0,1|1,1,0]=4 3021 B9R0.55 OC(=O)C\C=C/CC(O)=O Amb25132103 [1,0,0,0,0,1|0,0,1]=3 3022 B9R0.55 OC(=O)\C=C\SCC(O)=O Amb18645625 [1,0,0,0,0,1|0,0,2]=4 3023 B9R0.55 O[13C](=O)CCCC[13C](O)=O Amb22338172 [1,0,0,0,0,1|0,0,0]=2 3024 B9R0.55 [O-]C(=O)CCCCC(O)=O Amb21934396 [1,0,0,0,0,1|0,0,1]=3 3025 B9R0.55 [O-]C(=O)CCCCC([O-])=O Amb22168121 [1,0,0,0,0,1|0,0,2]=4 3026 B9R0.55 [O-]C(=O)CCCCC([O-])=O Amb22230380 [1,0,0,0,0,1|0,0,2]=4 3027 B9R0.55 [O-]C(=O)CCCCC([O-])=O Amb22732848 [1,0,0,0,0,1|0,0,2]=4 3028 B9R0.55 [O-][N+](=O)CCCCC(O)=O Amb24596293 [1,0,0,0,0,1|1,0,1]=4 3029 B11R0.85 CN(CCC(=O)O)CCC(=O)O Amb16187108 [0,0,0,0,0,2|2,0,0]=4 3030 B11R0.85 CN(CCC(O)=O)CCC(O)=O Amb24117217 [0,0,0,0,0,2|2,0,0]=4 3031 B11R0.85 OC(=O)CCC(=O)NCC(O)=O Amb17940408 [0,0,0,0,0,2|1,0,1]=4 3032 B11R0.29 CC(=N)NCCC[C@@H](N)C(O)=O Amb19132784 [0,0,0,0,0,2|2,0,0]=4 3033 B11R0.29 CC(=O)C(C)CCCCC(O)=O Amb20668227 [0,0,0,0,0,2|2,0,0]=4 3034 B11R0.29 CC(=O)NCSC[C@@H](N)C(N)=O Amb23439024 [0,0,0,0,0,2|2,0,0]=4 3035 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb22745261 [0,0,0,0,0,2|1,0,0]=3 3036 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb22747127 [0,0,0,0,0,2|1,0,0]=3 3037 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb23438964 [0,0,0,0,0,2|1,0,0]=3 3038 B11R0.29 CC(=O)NCSC[C@H](N)C(N)=O Amb19930742 [0,0,0,0,0,2|2,0,0]=4 3039 B11R0.29 CC(=O)NCSC[C@H](N)C(O)=O Amb22231424 [0,0,0,0,0,2|1,0,0]=3 3040 B11R0.29 CC(=O)NCSC[C@H](N)C(O)=O Amb22349445 [0,0,0,0,0,2|1,0,0]=3 3041 B11R0.29 NC(=N)NCCCC(C(=O)O)N Amb1151252 [0,0,0,0,0,2|2,0,0]=4 3042 B11R0.29 NC(=N)NCCCC(N)C(O)=O Amb22349947 [0,0,0,0,0,2|2,0,0]=4 3043 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745064 [0,0,0,0,0,2|2,0,0]=4 3044 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745189 [0,0,0,0,0,2|2,0,0]=4 3045 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745210 [0,0,0,0,0,2|2,0,0]=4 3046 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745478 [0,0,0,0,0,2|2,0,0]=4 3047 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745921 [0,0,0,0,0,2|2,0,0]=4 3048 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22748687 [0,0,0,0,0,2|2,0,0]=4 3049 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22801409 [0,0,0,0,0,2|2,0,0]=4 3050 B11R0.29 NC(=N)NOCCC(N)C(O)=O Amb22261558 [0,0,0,0,0,2|2,0,0]=4 3051 B11R0.29 NC(=N)NOCC[C@@H](C(=O)O)N Amb10843206 [0,0,0,0,0,2|2,0,0]=4 3052 B11R0.29 NC(=N)NOCC[C@H](N)C(O)=O Amb22338123 [0,0,0,0,0,2|2,0,0]=4 3053 B11R0.29 NC(=O)NCCCC(N)C([O-])=O Amb22330608 [0,0,0,0,0,2|1,0,1]=4 3054 B11R0.29 NC(=O)NCCC[C@@H](N)C(O)=O Amb22744872 [0,0,0,0,0,2|1,0,0]=3 3055 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)S Amb19930603 [0,0,0,0,0,2|1,1,0]=4 3056 B11R0.29 NC(=O)NCCC[C@H](N)C(O)=O Amb22169596 [0,0,0,0,0,2|1,0,0]=3 3057 B11R0.29 NC(=S)NCCCC(N)C(O)=O Amb22470953 [0,0,0,0,0,2|1,1,0]=4 3058 B11R0.29 NC(=S)NCCC[C@@H](N)C(O)=O Amb22799910 [0,0,0,0,0,2|1,1,0]=4 3059 B11R0.29 NC(CSCCC(O)=O)C(O)=O Amb22734793 [0,0,0,0,0,2|0,0,0]=2 3060 B11R0.29 NC(N)=NCCCC(N)C(O)=O Amb19866551 [0,0,0,0,0,2|2,0,0]=4 3061 B11R0.29 N[13C](=N)N[13CH2][13CH2][13CH2][13C@H](N)[13C](O)=O Amb22337496 [0,0,0,0,0,2|2,0,0]=4 3062 B11R0.29 N[C@@H](CCCCB(O)O)C(O)=O Amb22747786 [0,0,0,0,0,2|1,0,1]=4 3063 B11R0.29 N[C@@H](CCCCC(O)=O)C(O)=O Amb22746360 [0,0,0,0,0,2|0,0,0]=2 3064 B11R0.29 N[C@@H](CCCNC(N)=N)C(O)=O Amb17942890 [0,0,0,0,0,2|2,0,0]=4 3065 B11R0.29 N[C@@H](CCCNC(N)=N)C(O)=O Amb17942891 [0,0,0,0,0,2|2,0,0]=4 3066 B11R0.29 OC(=O)CCCCC(C(=O)O)C Amb10844066 [0,0,0,0,0,2|1,0,0]=3 3067 B11R0.29 OC(=O)CCCSC(C(=O)O)C Amb17503620 [0,0,0,0,0,2|1,0,0]=3 3068 B11R0.29 OC(=O)CCSC[C@@H](C(=O)O)N Amb17610546 [0,0,0,0,0,2|0,0,0]=2 3069 B11R0.29 [15NH2]C(=[15NH])[15NH]CCC[C@H]([15NH2])C(O)=O Amb22353583 [0,0,0,0,0,2|2,0,0]=4