0 B11R0.29 CC(=N)NCCC[C@@H](N)C(O)=O Amb19132784 [0,0,0,0,0,0|1,0,2]=3 1 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb22745261 [0,0,0,0,0,0|3,0,1]=4 2 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb22747127 [0,0,0,0,0,0|3,0,1]=4 3 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb23438964 [0,0,0,0,0,0|3,0,1]=4 4 B11R0.29 CC(=O)NCSC[C@H](N)C(O)=O Amb22231424 [0,0,0,0,0,0|3,0,1]=4 5 B11R0.29 CC(=O)NCSC[C@H](N)C(O)=O Amb22349445 [0,0,0,0,0,0|3,0,1]=4 6 B11R0.29 NC(=N)NCCCC(C(=O)O)N Amb1151252 [0,0,0,0,0,0|0,0,2]=2 7 B11R0.29 NC(=N)NCCCC(N)C(O)=O Amb22349947 [0,0,0,0,0,0|0,0,2]=2 8 B11R0.29 NC(=N)NCCCC(O)C(O)=O Amb22730085 [0,0,0,0,0,0|1,0,2]=3 9 B11R0.29 NC(=N)NCCC[C@@H](C(=O)N)N Amb16232536 [0,0,0,0,0,0|1,0,2]=3 10 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745064 [0,0,0,0,0,0|0,0,2]=2 11 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745189 [0,0,0,0,0,0|0,0,2]=2 12 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745210 [0,0,0,0,0,0|0,0,2]=2 13 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745478 [0,0,0,0,0,0|0,0,2]=2 14 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745921 [0,0,0,0,0,0|0,0,2]=2 15 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22748687 [0,0,0,0,0,0|0,0,2]=2 16 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22801409 [0,0,0,0,0,0|0,0,2]=2 17 B11R0.29 NC(=N)NOCCC(N)C(O)=O Amb22261558 [0,0,0,0,0,0|1,0,2]=3 18 B11R0.29 NC(=N)NOCC[C@@H](C(=O)O)N Amb10843206 [0,0,0,0,0,0|1,0,2]=3 19 B11R0.29 NC(=N)NOCC[C@H](N)C(O)=O Amb22338123 [0,0,0,0,0,0|1,0,2]=3 20 B11R0.29 NC(=N)N\C=C\CC(N)C(O)=O Amb25097765 [0,0,0,0,0,0|0,0,4]=4 21 B11R0.29 NC(=O)NCCCC(N)C([O-])=O Amb22330608 [0,0,0,0,0,0|1,0,2]=3 22 B11R0.29 NC(=O)NCCC[C@@H](N)C(O)=O Amb22744872 [0,0,0,0,0,0|1,0,1]=2 23 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)S Amb19930603 [0,0,0,0,0,0|1,1,1]=3 24 B11R0.29 NC(=O)NCCC[C@H](N)C(O)=O Amb22169596 [0,0,0,0,0,0|1,0,1]=2 25 B11R0.29 NC(=O)[C@@H](N)CCCNC(N)=N Amb22899566 [0,0,0,0,0,0|1,0,2]=3 26 B11R0.29 NC(=S)NCCCC(N)C(O)=O Amb22470953 [0,0,0,0,0,0|1,0,1]=2 27 B11R0.29 NC(=S)NCCC[C@@H](N)C(O)=O Amb22799910 [0,0,0,0,0,0|1,0,1]=2 28 B11R0.29 NC(CSCCC(O)=O)C(O)=O Amb22734793 [0,0,0,0,0,0|4,0,0]=4 29 B11R0.29 NC(N)=NCCCC(N)C(O)=O Amb19866551 [0,0,0,0,0,0|0,0,0]=0 30 B11R0.29 N[13C](=N)N[13CH2][13CH2][13CH2][13C@H](N)[13C](O)=O Amb22337496 [0,0,0,0,0,0|0,0,2]=2 31 B11R0.29 N[C@@H](CCCCB(O)O)C(O)=O Amb22747786 [0,0,0,0,0,0|4,0,0]=4 32 B11R0.29 N[C@@H](CCCCC(O)=O)C(O)=O Amb22746360 [0,0,0,0,0,0|3,0,0]=3 33 B11R0.29 N[C@@H](CCCNC(N)=N)C(O)=O Amb17942890 [0,0,0,0,0,0|0,0,2]=2 34 B11R0.29 N[C@@H](CCCNC(N)=N)C(O)=O Amb17942891 [0,0,0,0,0,0|0,0,2]=2 35 B11R0.29 OC(=O)CCCCC(C(=O)O)C Amb10844066 [0,0,0,0,0,0|4,0,0]=4 36 B11R0.29 OC(=O)CCSC[C@@H](C(=O)O)N Amb17610546 [0,0,0,0,0,0|4,0,0]=4 37 B11R0.29 [15NH2]C(=[15NH])[15NH]CCC[C@H]([15NH2])C(O)=O Amb22353583 [0,0,0,0,0,0|0,0,2]=2 38 B10R0.75 C=CCCCC[C@@H](N)C(O)=O Amb22747247 [1,0,0,0,0,0|2,0,0]=3 39 B10R0.75 C=CCCCC[C@H](N)C(O)=O Amb22270014 [1,0,0,0,0,0|2,0,0]=3 40 B10R0.75 CC#CCCC[C@@H](N)C(O)=O Amb25383152 [1,0,0,0,0,0|2,0,1]=4 41 B10R0.75 CC#CCCC[C@H](N)C(O)=O Amb25382982 [1,0,0,0,0,0|2,0,1]=4 42 B10R0.75 CCCCCC[C@H](C(=O)O)N Amb16183913 [1,0,0,0,0,0|2,0,1]=4 43 B10R0.75 NCCCSC[C@@H](N)C(O)=O Amb22454567 [1,0,0,0,0,0|2,0,1]=4 44 B10R0.75 NCCOCCC(N)C(O)=O Amb24081026 [1,0,0,0,0,0|2,0,1]=4 45 B10R0.97 C=C(F)CCCCCC(O)=O Amb22641493 [1,0,0,0,0,0|3,0,0]=4 46 B10R0.97 CC(=O)NCCCCC(O)=O Amb22330473 [1,0,0,0,0,0|2,0,1]=4 47 B10R0.97 NC(=N)NCCCCC(O)=O Amb23523074 [1,0,0,0,0,0|0,0,2]=3 48 B10R0.97 NC(=N)SCCCCC(O)=O Amb19787005 [1,0,0,0,0,0|1,0,1]=3 49 B10R0.97 OC(=O)CCCCNC(=O)N Amb1154252 [1,0,0,0,0,0|1,0,1]=3 50 B10R0.97 OC(=O)CCCCSC(=N)N Amb1289596 [1,0,0,0,0,0|1,0,1]=3 51 B10R0.97 OC(=O)CCCCSC(=[NH2+])N Amb1156024 [1,0,0,0,0,0|1,0,1]=3 52 B12R0.86 COC(=O)[C@H](CCCNC(=N)N)N Amb16232499 [0,1,0,0,0,0|0,0,2]=3 53 B12R0.86 CSC(=O)[C@@H](N)CCCNC(N)=O Amb19930482 [0,1,0,0,0,0|1,1,1]=4 54 B12R0.186 CNC(=N)NCCC[C@@H](N)C(O)=O Amb22747925 [0,1,0,0,0,0|0,0,2]=3 55 B12R0.186 CNC(=N)NCCC[C@@H](N)C(O)=O Amb22799909 [0,1,0,0,0,0|0,0,2]=3 56 B12R0.186 CSC(=N)NCCCC(C(=O)O)N Amb17617832 [0,1,0,0,0,0|1,0,2]=4 57 B12R0.186 CSC(=N)NCCC[C@@H](N)C(O)=O Amb22799911 [0,1,0,0,0,0|1,0,2]=4 58 B12R0.186 CSC(=N)NCCC[C@@H](N)C(O)=O Amb22799912 [0,1,0,0,0,0|1,0,2]=4 59 B12R0.186 CSC(=N)NCCC[C@H](N)C(O)=O Amb22349931 [0,1,0,0,0,0|1,0,2]=4 60 B12R0.186 NC(CCCNC(=O)CI)C(O)=O Amb22731439 [0,1,0,0,0,0|2,0,1]=4 61 B12R0.186 NNC(=N)NCCC[C@H](N)C(O)=O Amb22053012 [0,1,0,0,0,0|0,0,2]=3 62 B12R0.186 N[C@@H](CCCNC(=N)NO)C(O)=O Amb19930455 [0,1,0,0,0,0|0,0,2]=3 63 B12R0.186 N[C@@H](CCCNC(=N)NO)C(O)=O Amb22800944 [0,1,0,0,0,0|0,0,2]=3 64 B12R0.186 N[C@@H](CCCNC(=O)CI)C(O)=O Amb19930302 [0,1,0,0,0,0|2,0,1]=4 65 B12R0.186 N\C(\NCCC[C@@H](N)C(O)=O)=N\O Amb19132635 [0,1,0,0,0,0|0,0,2]=3 66 B12R0.627 N[C@@H](CCC[C@@H](N)C(O)=O)C(O)=O Amb22750715 [0,1,0,0,0,0|3,0,0]=4 67 B12R0.627 N[C@@H](CCC[C@H](N)C(O)=O)C(O)=O Amb22388589 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.104 Cc1[nH]c(CC(N)C(O)=O)c[n]1 Amb18826090 [0,0,0,1,0,0|1,0,2]=4 69 B12R1.104 NC(C(=O)O)Cc1cnc([nH]1)S Amb17594852 [0,0,0,1,0,0|1,0,2]=4 70 B12R1.104 NC=1NCC(CC(N)C(O)=O)N1 Amb25343273 [0,0,0,1,0,0|0,0,2]=3 71 B12R1.104 N[C@@H](CC1CCC(=O)O1)C(O)=O Amb25138674 [0,0,0,1,0,0|3,0,0]=4 72 B12R1.104 N[C@@H](CC=1CN=C(S)N1)C(O)=O Amb25258420 [0,0,0,1,0,0|1,0,2]=4 73 B12R1.104 N[C@@H](C[C@@H]1CNC(=N)N1)C(O)=O Amb24626578 [0,0,0,1,0,0|0,0,2]=3 74 B12R1.104 Nc1[nH]c(C[C@@H](N)C(O)=O)c[n]1 Amb24420030 [0,0,0,1,0,0|0,0,2]=3 75 B12R1.104 Nc1[n]c[n](CC(N)C(O)=O)[n]1 Amb24724699 [0,0,0,1,0,0|1,0,2]=4 76 B12R1.104 Nc1[n]cc(CC(N)C(O)=O)[s]1 Amb24677723 [0,0,0,1,0,0|1,0,2]=4 77 B12R1.104 Nc1[n]cc(C[C@@H](N)C(O)=O)[s]1 Amb25771540 [0,0,0,1,0,0|1,0,2]=4 78 B12R1.104 OC(=O)C(O)CC1CCC(=O)N1 Amb25775042 [0,0,0,1,0,0|3,0,0]=4 79 B12R1.110 CC(=O)OCC1CC(N)C(=O)O1 Amb24634736 [0,0,0,1,0,0|3,0,0]=4 80 B12R1.110 CC(=O)OC[C@@H]1C[C@H](N)C(=O)O1 Amb25264901 [0,0,0,1,0,0|3,0,0]=4 81 B12R1.225 CC(C1CCCC(=O)N1)C(O)=O Amb24406005 [0,0,0,1,0,0|3,0,0]=4 82 B12R1.225 NC(C1CCCC(=O)C1)C(O)=O Amb25310755 [0,0,0,1,0,0|3,0,0]=4 83 B12R1.225 N[C@@H](C1CCNC(=N)N1)C(O)=O Amb25751181 [0,0,0,1,0,0|0,0,2]=3 84 B12R1.225 N[C@H]([C@@H]1CCNC(=N)N1)C(O)=O Amb24565789 [0,0,0,1,0,0|0,0,2]=3 85 B12R1.258 NC(=O)C1CCCC(C1)C(O)=O Amb19148720 [0,0,0,1,0,0|3,0,0]=4 86 B12R1.258 NC(=O)C1CCCC(N1)C(O)=O Amb24588927 [0,0,0,1,0,0|2,0,0]=3 87 B12R1.258 NC(=O)N1CC(CCC1)C(O)=O Amb22586925 [0,0,0,1,0,0|2,0,1]=4 88 B12R1.258 NC(=O)N1C[C@@H](CCC1)C(O)=O Amb24436089 [0,0,0,1,0,0|2,0,1]=4 89 B12R1.258 NC(=O)[C@@H]1CCC[C@@H](N1)C(O)=O Amb24576611 [0,0,0,1,0,0|2,0,0]=3 90 B12R1.258 NC(=O)[C@H]1CCC[C@H](N1)C(N)=O Amb25055643 [0,0,0,1,0,0|3,0,0]=4 91 B12R1.258 NC(=S)N1CCCC(C1)C(O)=O Amb25242015 [0,0,0,1,0,0|2,0,1]=4 92 B12R1.258 OC(=O)C1CCCC(N1)C(=O)O Amb13886289 [0,0,0,1,0,0|3,0,0]=4 93 B12R1.389 CC(=C)CC1CCC(N1)C(O)=O Amb25697744 [0,0,0,1,0,0|3,0,0]=4 94 B12R1.389 NC(=O)CC1NC(CS1)C(O)=O Amb24487569 [0,0,0,1,0,0|3,0,0]=4 95 B12R1.389 NC(=O)CC1N[C@@H](CS1)C(O)=O Amb25270591 [0,0,0,1,0,0|3,0,0]=4 96 B12R1.389 NC(=O)CC1N[C@H](CS1)C(O)=O Amb25258742 [0,0,0,1,0,0|3,0,0]=4 97 B12R1.389 OC(=O)CC1CC[C@H](N1)C(O)=O Amb25727925 [0,0,0,1,0,0|3,0,0]=4 98 B12R1.389 OC(=O)C[C@H]1CC[C@H](N1)C(O)=O Amb25174934 [0,0,0,1,0,0|3,0,0]=4 99 B12R1.1344 CC(=O)N1CC(C1)CN=C(N)N Amb25818004 [0,0,0,1,0,0|3,0,0]=4 100 B12R1.1382 N[C@@H]([C@@H]1CC[C@H]1C(O)=O)C(O)=O Amb25288168 [0,0,0,1,0,0|3,0,0]=4 101 B12R1.1388 NC(=O)N1CCCC1(O)C(O)=O Amb18647795 [0,0,0,1,0,0|2,0,1]=4 102 B12R1.1388 NC1(CCCC1C(O)=O)C(O)=O Amb24470134 [0,0,0,1,0,0|3,0,0]=4 103 B12R1.1388 N[C@@]1(CCC[C@H]1C(O)=O)C(O)=O Amb25089845 [0,0,0,1,0,0|3,0,0]=4 104 B12R1.1815 CC1(CCC1NC(N)=O)C(O)=O Amb24724615 [0,0,0,1,0,0|2,0,1]=4 105 B12R1.1815 C[C@]1(CC[C@@H]1NC(N)=O)C(O)=O Amb25363342 [0,0,0,1,0,0|2,0,1]=4 106 B12R1.2709 CC1(CCCCC(=O)N1)C(O)=O Amb22641232 [0,0,0,1,0,0|3,0,0]=4 107 B10R0.98 CC(=O)C(C)CC[S+]=C(N)N Amb24765529 [0,0,0,0,1,0|3,0,0]=4 108 B10R0.98 CC(=O)NCCC(N)C(O)=O Amb25385160 [0,0,0,0,1,0|2,0,1]=4 109 B10R0.98 CC(=O)OCC[C@@H](N)C(O)=O Amb19130288 [0,0,0,0,1,0|3,0,0]=4 110 B10R0.98 CC(C)=CCC[C@H](N)C(O)=O Amb25383796 [0,0,0,0,1,0|2,0,1]=4 111 B10R0.98 CC(C)CCC[C@@H](N)C(O)=O Amb22745714 [0,0,0,0,1,0|2,0,1]=4 112 B10R0.98 CC(CCCC(C)N)C(O)=O Amb19337779 [0,0,0,0,1,0|2,0,1]=4 113 B10R0.98 CC(CCCC(C)N)C(O)=O Amb22059651 [0,0,0,0,1,0|2,0,1]=4 114 B10R0.98 CC(CCCC(O)=O)C(O)=O Amb18645273 [0,0,0,0,1,0|3,0,0]=4 115 B10R0.98 NC(=N)NCCC(C(=O)O)N Amb16233058 [0,0,0,0,1,0|0,0,2]=3 116 B10R0.98 NC(=N)NCC[C@@H](N)C(O)=O Amb22745595 [0,0,0,0,1,0|0,0,2]=3 117 B10R0.98 NC(=N)NCC[C@H](N)C(O)=O Amb20240584 [0,0,0,0,1,0|0,0,2]=3 118 B10R0.98 NC(=N)NOC[C@H](N)C(O)=O Amb25383805 [0,0,0,0,1,0|1,0,2]=4 119 B10R0.98 NC(=O)CCCC(C(=O)O)N Amb17614984 [0,0,0,0,1,0|1,0,0]=2 120 B10R0.98 NC(=O)NCCC(N)C(O)=O Amb25386183 [0,0,0,0,1,0|1,0,1]=3 121 B10R0.98 NC(=O)NCCC(S)C(O)=O Amb25385685 [0,0,0,0,1,0|2,0,1]=4 122 B10R0.98 NC(=O)NCC[C@@H](N)C(O)=O Amb25385246 [0,0,0,0,1,0|1,0,1]=3 123 B10R0.98 NC(=O)NCC[C@H](N)C(O)=O Amb25386286 [0,0,0,0,1,0|1,0,1]=3 124 B10R0.98 NC(=O)NCC[C@H](S)C(O)=O Amb25385201 [0,0,0,0,1,0|2,0,1]=4 125 B10R0.98 NC(CCCC(O)=O)C(O)=O Amb22740152 [0,0,0,0,1,0|2,0,0]=3 126 B10R0.98 NC(CCCC([O-])=O)C([O-])=O Amb22053651 [0,0,0,0,1,0|2,0,1]=4 127 B10R0.98 NC(CSCC(O)=O)C(O)=O Amb23566716 [0,0,0,0,1,0|3,0,0]=4 128 B10R0.98 NC(N)=NCCC(N)C(O)=O Amb22492813 [0,0,0,0,1,0|0,0,0]=1 129 B10R0.98 N[C@H](CSCC(O)=O)C(O)=O Amb22745445 [0,0,0,0,1,0|3,0,0]=4 130 B10R0.98 OC(=O)CCCC(O)C(O)=O Amb21963897 [0,0,0,0,1,0|3,0,0]=4 131 B10R0.98 OC(=O)CCC[C@H](O)C(O)=O Amb22270000 [0,0,0,0,1,0|3,0,0]=4 132 B10R0.98 OC(=O)CSC[C@@H](C(=O)O)N Amb16232500 [0,0,0,0,1,0|3,0,0]=4 133 B12R0.42 CC(=N)NCCCCC(N)C(O)=O Amb22231013 [0,0,0,0,0,1|1,0,2]=4 134 B12R0.42 CC(=N)NCCCCC(N)C(O)=O Amb22730116 [0,0,0,0,0,1|1,0,2]=4 135 B12R0.42 CC(=N)NCCCC[C@@H](C(=O)O)N Amb17616045 [0,0,0,0,0,1|1,0,2]=4 136 B12R0.42 CC(=N)NCCCC[C@@H](N)C(O)=O Amb19132782 [0,0,0,0,0,1|1,0,2]=4 137 B12R0.42 CC(=N)NCCCC[C@@H](N)C(O)=O Amb22800621 [0,0,0,0,0,1|1,0,2]=4 138 B12R0.42 CC(=O)NCCCC[C@@H](N)C(O)=O Amb24323525 [0,0,0,0,0,1|2,0,1]=4 139 B12R0.42 CC(=[NH2+])NCCCC[C@@H](N)C(O)=O Amb22799859 [0,0,0,0,0,1|1,0,2]=4 140 B12R0.42 NC(=N)NCCCC[C@@H](C(=O)O)N Amb16183863 [0,0,0,0,0,1|0,0,2]=3 141 B12R0.42 NC(=N)NCCCC[C@@H](N)C(O)=O Amb19132515 [0,0,0,0,0,1|0,0,2]=3 142 B12R0.42 NC(=O)NCCCC[C@H](C(=O)O)N Amb16183831 [0,0,0,0,0,1|1,0,1]=3 143 B12R0.42 N[C@@H](CCCCCC(O)=O)C(O)=O Amb17678794 [0,0,0,0,0,1|3,0,0]=4 144 B12R0.42 OC(=O)CCCCCC(C(=O)O)N Amb10807509 [0,0,0,0,0,1|3,0,0]=4 145 B9R0.2 CC(N)=NCCCCCO Amb25761933 [2,0,0,0,0,0|1,0,1]=4 146 B9R0.2 C\C(\N)=N\CCCCC=C Amb25381286 [2,0,0,0,0,0|2,0,0]=4 147 B9R0.2 C\C=C\CCCCC(O)=O Amb18643887 [2,0,0,0,0,0|2,0,0]=4 148 B9R0.2 NCCCCCCC(=O)O Amb1151254 [2,0,0,0,0,0|1,0,1]=4 149 B9R0.2 NCCCCCCC(=O)O Amb16232099 [2,0,0,0,0,0|1,0,1]=4 150 B9R0.2 NOCCCCCC(=O)O Amb10975958 [2,0,0,0,0,0|2,0,0]=4 151 B9R0.2 OC(=O)CCCCN=C=O Amb24505309 [2,0,0,0,0,0|1,0,1]=4 152 B9R0.2 OC(=O)CCCCN=C=S Amb25685363 [2,0,0,0,0,0|1,0,1]=4 153 B9R0.2 [N-]=[N+]=NCCCCC(O)=O Amb19516609 [2,0,0,0,0,0|1,0,1]=4 154 B9R0.47 C#CCCC[C@@H](N)C(O)=O Amb24077358 [2,0,0,0,0,0|1,0,1]=4 155 B9R0.47 C#CCCC[C@H](N)C(O)=O Amb24088878 [2,0,0,0,0,0|1,0,1]=4 156 B9R0.47 C=CCCCC(Cl)C(O)=O Amb18645742 [2,0,0,0,0,0|2,0,0]=4 157 B9R0.47 C=CCCCC(N)C(O)=O Amb22002149 [2,0,0,0,0,0|1,0,0]=3 158 B9R0.47 C=CCCC[C@@H](N)C(N)=O Amb25824644 [2,0,0,0,0,0|2,0,0]=4 159 B9R0.47 C=CCCC[C@@H](N)C(O)=O Amb22831130 [2,0,0,0,0,0|1,0,0]=3 160 B9R0.47 C=CCCC[C@@H](O)C(O)=O Amb24714998 [2,0,0,0,0,0|2,0,0]=4 161 B9R0.47 C=CCCC[C@H](O)C(O)=O Amb24763769 [2,0,0,0,0,0|2,0,0]=4 162 B9R0.47 C=CCOC[C@H](N)C(O)=O Amb24713287 [2,0,0,0,0,0|2,0,0]=4 163 B9R0.47 C=CCSC[C@@H](N)C(O)=O Amb22745979 [2,0,0,0,0,0|2,0,0]=4 164 B9R0.47 C=CCSC[C@H](N)C(O)=O Amb22231426 [2,0,0,0,0,0|2,0,0]=4 165 B9R0.47 C=CCSC[C@H](N)C(O)=O Amb22231427 [2,0,0,0,0,0|2,0,0]=4 166 B9R0.47 CC(=O)C(N)CCCCN Amb18644167 [2,0,0,0,0,0|1,0,1]=4 167 B9R0.47 CC(=O)[C@@H](N)CCCCN Amb25251380 [2,0,0,0,0,0|1,0,1]=4 168 B9R0.47 CC(CCCC=C)C(O)=O Amb18643893 [2,0,0,0,0,0|2,0,0]=4 169 B9R0.47 CC(CCCCN)C(O)=O Amb18644200 [2,0,0,0,0,0|1,0,1]=4 170 B9R0.47 CCCCC[C@@H](N)C(O)=O Amb22745982 [2,0,0,0,0,0|1,0,1]=4 171 B9R0.47 CCCCC[C@H](N)C(O)=O Amb17943098 [2,0,0,0,0,0|1,0,1]=4 172 B9R0.47 CNCCCC(N)C(O)=O Amb18644279 [2,0,0,0,0,0|0,0,2]=4 173 B9R0.47 CNCCC[C@H](N)C(O)=O Amb24377155 [2,0,0,0,0,0|0,0,2]=4 174 B9R0.47 COCCCC(N)C(O)=O Amb20628315 [2,0,0,0,0,0|1,0,1]=4 175 B9R0.47 COCCCC(N)C(O)=O Amb22058809 [2,0,0,0,0,0|1,0,1]=4 176 B9R0.47 COCCC[C@@H](N)C(O)=O Amb25081508 [2,0,0,0,0,0|1,0,1]=4 177 B9R0.47 COCCC[C@H](N)C(O)=O Amb25378737 [2,0,0,0,0,0|1,0,1]=4 178 B9R0.47 CSCCCC(C(=O)O)N Amb17594057 [2,0,0,0,0,0|1,0,1]=4 179 B9R0.47 NC(CCCC#N)C(O)=O Amb25242567 [2,0,0,0,0,0|0,0,2]=4 180 B9R0.47 NC(CCCCCl)C(O)=O Amb25141944 [2,0,0,0,0,0|1,0,1]=4 181 B9R0.47 NC(CCCCS)C(O)=O Amb25363159 [2,0,0,0,0,0|1,0,1]=4 182 B9R0.47 NC(CCCNO)C(O)=O Amb24722710 [2,0,0,0,0,0|1,0,1]=4 183 B9R0.47 NC(CCC[13CH2][15NH2])C(O)=O Amb22351283 [2,0,0,0,0,0|0,0,1]=3 184 B9R0.47 NC(CCNC=O)C(O)=O Amb24355941 [2,0,0,0,0,0|1,0,1]=4 185 B9R0.47 NCCCCC(C(=O)N)N Amb17593646 [2,0,0,0,0,0|1,0,1]=4 186 B9R0.47 NCCCCC(Cl)C(O)=O Amb24540314 [2,0,0,0,0,0|1,0,1]=4 187 B9R0.47 NCCCCC(F)C(O)=O Amb25147460 [2,0,0,0,0,0|1,0,1]=4 188 B9R0.47 NCCCCC(N)C(=O)Cl Amb24678769 [2,0,0,0,0,0|1,0,1]=4 189 B9R0.47 NCCCCC(N)C(O)=O Amb22349470 [2,0,0,0,0,0|0,0,1]=3 190 B9R0.47 NCCCCC(N)C(O)=O Amb22489521 [2,0,0,0,0,0|0,0,1]=3 191 B9R0.47 NCCCCC(N)P(O)=O Amb25337348 [2,0,0,0,0,0|1,0,1]=4 192 B9R0.47 NCCCCC(N)[13C](O)=O Amb22338743 [2,0,0,0,0,0|0,0,1]=3 193 B9R0.47 NCCCCC(O)C(O)=O Amb18644320 [2,0,0,0,0,0|1,0,1]=4 194 B9R0.47 NCCCCC(S)C(O)=O Amb24652524 [2,0,0,0,0,0|1,0,1]=4 195 B9R0.47 NCCCCC([15NH2])C(O)=O Amb22351358 [2,0,0,0,0,0|0,0,1]=3 196 B9R0.47 NCCCC[13CH](N)C(O)=O Amb22351886 [2,0,0,0,0,0|0,0,1]=3 197 B9R0.47 NCCCC[13CH](N)[13C](O)=O Amb22336528 [2,0,0,0,0,0|0,0,1]=3 198 B9R0.47 NCCCC[C@@H](C(=O)O)C Amb10844513 [2,0,0,0,0,0|1,0,1]=4 199 B9R0.47 NCCCC[C@@H](N)C(N)=O Amb22800869 [2,0,0,0,0,0|1,0,1]=4 200 B9R0.47 NCCCC[C@@H](N)C(O)=O Amb22744766 [2,0,0,0,0,0|0,0,1]=3 201 B9R0.47 NCCCC[C@@H](N)C(O)=O Amb22746247 [2,0,0,0,0,0|0,0,1]=3 202 B9R0.47 NCCCC[C@@H](N)C(O)=O Amb22750565 [2,0,0,0,0,0|0,0,1]=3 203 B9R0.47 NCCCC[C@H](C(=O)O)N Amb10072417 [2,0,0,0,0,0|0,0,1]=3 204 B9R0.47 NCCCC[C@H](N)C(N)=O Amb25738519 [2,0,0,0,0,0|1,0,1]=4 205 B9R0.47 NCCCC[C@H](O)C(O)=O Amb25303562 [2,0,0,0,0,0|1,0,1]=4 206 B9R0.47 NCCCC[C@H]([15NH2])C(O)=O Amb22354049 [2,0,0,0,0,0|0,0,1]=3 207 B9R0.47 NCCCO[C@H](N)C(O)=O Amb25111856 [2,0,0,0,0,0|1,0,1]=4 208 B9R0.47 NCCCSC(N)C(O)=O Amb24443705 [2,0,0,0,0,0|1,0,1]=4 209 B9R0.47 NCCNCC(N)C(O)=O Amb25032175 [2,0,0,0,0,0|1,0,1]=4 210 B9R0.47 NCCNC[C@@H](N)C(O)=O Amb25147420 [2,0,0,0,0,0|1,0,1]=4 211 B9R0.47 NCCNC[C@H](N)C(O)=O Amb24580529 [2,0,0,0,0,0|1,0,1]=4 212 B9R0.47 NCCOC[C@@H](N)C(O)=O Amb22799590 [2,0,0,0,0,0|1,0,1]=4 213 B9R0.47 NCCOC[C@@H](N)C(O)=O Amb25679129 [2,0,0,0,0,0|1,0,1]=4 214 B9R0.47 NCCOC[C@H](N)C(O)=O Amb22231353 [2,0,0,0,0,0|1,0,1]=4 215 B9R0.47 NCCSCC(N)C(O)=O Amb18126410 [2,0,0,0,0,0|1,0,1]=4 216 B9R0.47 NCCSC[C@@H](N)C(O)=O Amb22800706 [2,0,0,0,0,0|1,0,1]=4 217 B9R0.47 NCCSC[C@H](N)C(O)=O Amb22362775 [2,0,0,0,0,0|1,0,1]=4 218 B9R0.47 NNCCCC(N)C(O)=O Amb24378076 [2,0,0,0,0,0|0,0,1]=3 219 B9R0.47 NNCCC[C@H](N)C(O)=O Amb24623157 [2,0,0,0,0,0|0,0,1]=3 220 B9R0.47 NOCCCC(N)C(O)=O Amb24117962 [2,0,0,0,0,0|1,0,0]=3 221 B9R0.47 N[13CH2]CCCC(N)C(O)=O Amb22367560 [2,0,0,0,0,0|0,0,1]=3 222 B9R0.47 N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](O)=O Amb22337497 [2,0,0,0,0,0|0,0,1]=3 223 B9R0.47 N[14CH2][14CH2][14CH2][14CH2][14CH](N)[14C](O)=O Amb22349598 [2,0,0,0,0,0|0,0,1]=3 224 B9R0.47 N[C@@H](C(=O)O)CSCC=C Amb10843878 [2,0,0,0,0,0|2,0,0]=4 225 B9R0.47 N[C@@H](CCCCO)C(O)=O Amb22900800 [2,0,0,0,0,0|1,0,1]=4 226 B9R0.47 N[C@@H](CCCCS)C(O)=O Amb25729289 [2,0,0,0,0,0|1,0,1]=4 227 B9R0.47 N[C@@H](CCCC[NH3+])C(O)=O Amb22801419 [2,0,0,0,0,0|0,0,2]=4 228 B9R0.47 N[C@@H](CCCNO)C(O)=O Amb25075377 [2,0,0,0,0,0|1,0,1]=4 229 B9R0.47 N[C@@H](CCNC=O)C(O)=O Amb24692356 [2,0,0,0,0,0|1,0,1]=4 230 B9R0.47 N[C@@H](CCSN=O)C(O)=O Amb24665147 [2,0,0,0,0,0|2,0,0]=4 231 B9R0.47 O=CCCCC(C(=O)O)N Amb17619026 [2,0,0,0,0,0|1,0,0]=3 232 B9R0.47 [15NH2]CCCCC([15NH2])C(O)=O Amb22363194 [2,0,0,0,0,0|0,0,1]=3 233 B9R0.47 [15NH2]CCCC[C@H]([15NH2])C(O)=O Amb22353587 [2,0,0,0,0,0|0,0,1]=3 234 B9R0.47 [N-]=[N+]=NCCC(N)C(O)=O Amb25766449 [2,0,0,0,0,0|1,0,1]=4 235 B9R0.47 [N-]=[N+]=NCC[C@@H](C(=O)O)N Amb16183915 [2,0,0,0,0,0|1,0,1]=4 236 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(O)=O Amb19130389 [2,0,0,0,0,0|1,0,1]=4 237 B11R0.42 C=CCCCCC[C@@H](N)C(O)=O Amb22745701 [1,1,0,0,0,0|2,0,0]=4 238 B11R0.42 NC(CCCCNC=O)C(O)=O Amb22362874 [1,1,0,0,0,0|1,0,1]=4 239 B11R0.42 N[C@@H](CCCCNC=O)C(O)=O Amb22799599 [1,1,0,0,0,0|1,0,1]=4 240 B11R0.150 NC(C(=O)O)CCC(C(=O)O)N Amb10602546 [0,1,0,0,1,0|2,0,0]=4 241 B11R0.150 NC(C(=O)O)CCC(C(=O)O)N Amb17594468 [0,1,0,0,1,0|2,0,0]=4 242 B11R0.150 N[C@H](C(=O)O)CC[C@H](C(=O)O)N Amb10603182 [0,1,0,0,1,0|2,0,0]=4 243 B13R0.261 CCOC(=O)[C@H](N)CCCNC(N)=N Amb22230508 [0,2,0,0,0,0|0,0,2]=4 244 B13R0.1121 CNC(NC)=NCCC[C@@H](N)C(O)=O Amb19131964 [0,2,0,0,0,0|0,0,0]=2 245 B11R1.159 NC(=O)C1CCCC(N)C1=O Amb25132264 [1,0,0,1,0,0|2,0,0]=4 246 B11R1.35 N[C@@H](CC1CCCN1)C(O)=O Amb25124150 [1,0,0,1,0,0|1,0,1]=4 247 B11R1.35 N[C@H](C(=O)O)Cc1cnc[nH]1 Amb16233144 [1,0,0,1,0,0|0,0,2]=4 248 B11R1.35 [15NH2][13CH]([13C](=O)O)[13CH2][13c]1[13cH][15n][13cH][15nH]1 Amb17614974 [1,0,0,1,0,0|0,0,2]=4 249 B11R1.36 NC(C1CCCCN1)C(O)=O Amb23401448 [1,0,0,1,0,0|1,0,1]=4 250 B11R1.36 N[C@@H](C1CCCC=C1)C(O)=O Amb25339911 [1,0,0,1,0,0|2,0,0]=4 251 B11R1.36 N[C@@H]([C@@H]1CCCCN1)C(O)=O Amb24519512 [1,0,0,1,0,0|1,0,1]=4 252 B11R1.36 N[C@@H]([C@H]1CCCC=C1)C(O)=O Amb25227486 [1,0,0,1,0,0|2,0,0]=4 253 B11R1.89 NC(C1CCCC1=O)C(O)=O Amb24595573 [1,0,0,1,0,0|2,0,0]=4 254 B11R1.124 C=CC[C@H]1CC[C@H](N1)C(O)=O Amb24512707 [1,0,0,1,0,0|2,0,0]=4 255 B11R1.497 N=C1NC(CCCN1)C(O)=O Amb25321896 [1,0,0,1,0,0|0,0,2]=4 256 B11R1.497 OC(=O)C1CCCCC(=O)N1 Amb19515429 [1,0,0,1,0,0|2,0,0]=4 257 B11R1.497 OC(=O)[C@@H]1CCCNC(=O)N1 Amb24692630 [1,0,0,1,0,0|1,0,1]=4 258 B11R1.520 NC1CCCCC1(N)C(O)=O Amb25348456 [1,0,0,1,0,0|1,0,1]=4 259 B11R1.520 N[C@@H]1CCCC[C@]1(N)C(O)=O Amb24675453 [1,0,0,1,0,0|1,0,1]=4 260 B11R1.706 OC(=O)C1CCCCCNN1 Amb25827524 [1,0,0,1,0,0|1,0,1]=4 261 B11R1.157 OC(=O)CC1CCCC(=O)N1 Amb18200018 [1,0,0,1,0,0|2,0,0]=4 262 B11R1.178 NC(=N)N1CCCC1C(O)=O Amb22330609 [1,0,0,1,0,0|0,0,2]=4 263 B11R1.178 NC(=N)N1CCC[C@H]1C(O)=O Amb22586483 [1,0,0,1,0,0|0,0,2]=4 264 B11R1.178 NC(=O)C1CCCC1C(O)=O Amb25714211 [1,0,0,1,0,0|2,0,0]=4 265 B11R1.178 NC(=O)N1CCCC1C(=O)O Amb1151099 [1,0,0,1,0,0|1,0,1]=4 266 B11R1.178 NC(=O)N1CCC[C@@H]1C(O)=O Amb18787750 [1,0,0,1,0,0|1,0,1]=4 267 B11R1.708 NC(=O)N1CCC1CC(O)=O Amb24727755 [1,0,0,1,0,0|1,0,1]=4 268 B11R1.708 NC(=O)N[C@@H]1CC[C@@H]1C(O)=O Amb24651044 [1,0,0,1,0,0|1,0,1]=4 269 B11R1.21 NC(=O)C1CCC(N)C(=O)N1 Amb24707747 [0,0,0,1,1,0|2,0,0]=4 270 B11R1.175 NC(=O)C1CCC(C1)C(O)=O Amb18126050 [0,0,0,1,1,0|2,0,0]=4 271 B11R1.175 NC(=O)C1CCC(N1)C(N)=O Amb24093510 [0,0,0,1,1,0|2,0,0]=4 272 B11R1.175 NC(=O)C1CCC(O1)C(O)=O Amb25111716 [0,0,0,1,1,0|2,0,0]=4 273 B11R1.175 NC(=O)C1CCC(S1)C(O)=O Amb25323095 [0,0,0,1,1,0|2,0,0]=4 274 B11R1.175 NC(=O)[C@@H]1CC[C@@H](N1)C(O)=O Amb23560440 [0,0,0,1,1,0|1,0,0]=3 275 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(O)=O Amb24384443 [0,0,0,1,1,0|2,0,0]=4 276 B11R1.175 NC(=O)[C@@H]1CC[C@@H](S1)C(O)=O Amb23560409 [0,0,0,1,1,0|2,0,0]=4 277 B11R1.175 NC(=O)[C@@H]1CC[C@H](N1)C(O)=O Amb23560427 [0,0,0,1,1,0|1,0,0]=3 278 B11R1.175 NC(=O)[C@@H]1CC[C@H](S1)C(O)=O Amb23560425 [0,0,0,1,1,0|2,0,0]=4 279 B11R1.175 NC(=O)[C@H]1CC[C@H](N1)C(N)=O Amb25337594 [0,0,0,1,1,0|2,0,0]=4 280 B11R1.175 NC(=O)[C@H]1CC[C@H](O1)C(O)=O Amb25143267 [0,0,0,1,1,0|2,0,0]=4 281 B11R1.175 OC(=O)[C@@H]1CC[C@H](N1)C(O)=O Amb25174831 [0,0,0,1,1,0|2,0,0]=4 282 B11R1.175 OC(=O)[C@H]1CC[C@H](N1)C(O)=O Amb24538157 [0,0,0,1,1,0|2,0,0]=4 283 B11R1.314 CC(C1CCC(=O)N1)C(O)=O Amb24741902 [0,0,0,1,1,0|2,0,0]=4 284 B11R1.314 N[C@H](C1CCC(=O)C1)C(O)=O Amb25148224 [0,0,0,1,1,0|2,0,0]=4 285 B11R1.314 N[C@H]([C@@H]1CCC(=O)O1)C(O)=O Amb24511954 [0,0,0,1,1,0|2,0,0]=4 286 B11R1.667 CC1(CCCC(=O)N1)C(O)=O Amb23590303 [0,0,0,1,1,0|2,0,0]=4 287 B11R1.667 CC1CCCC(N1)(N)C(=O)O Amb13886110 [0,0,0,1,1,0|1,0,1]=4 288 B11R1.667 NC1(CC(=O)CCC1)C(O)=O Amb23560233 [0,0,0,1,1,0|2,0,0]=4 289 B11R1.704 NC(C1CC1C(O)=O)C(O)=O Amb24447417 [0,0,0,1,1,0|2,0,0]=4 290 B11R1.704 NC(C1C[C@@H]1C(O)=O)C(O)=O Amb25689113 [0,0,0,1,1,0|2,0,0]=4 291 B11R1.704 N[C@@H](C1CC1C(O)=O)C(O)=O Amb25794472 [0,0,0,1,1,0|2,0,0]=4 292 B11R1.704 N[C@@H]([C@@H]1CC1C(O)=O)C(O)=O Amb24512148 [0,0,0,1,1,0|2,0,0]=4 293 B11R1.704 N[C@@H]([C@@H]1C[C@@H]1C(O)=O)C(O)=O Amb22352678 [0,0,0,1,1,0|2,0,0]=4 294 B11R1.704 N[C@@H]([C@@H]1C[C@H]1C(O)=O)C(O)=O Amb25210847 [0,0,0,1,1,0|2,0,0]=4 295 B11R1.704 N[C@@H]([C@H]1CC1C(O)=O)C(O)=O Amb25273752 [0,0,0,1,1,0|2,0,0]=4 296 B11R1.704 N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O Amb19930360 [0,0,0,1,1,0|2,0,0]=4 297 B11R1.704 N[C@@H]([C@H]1C[C@H]1C(O)=O)C(O)=O Amb22388556 [0,0,0,1,1,0|2,0,0]=4 298 B11R1.704 N[C@H]([C@@H]1CC1C(O)=O)C(O)=O Amb25274088 [0,0,0,1,1,0|2,0,0]=4 299 B11R1.704 N[C@H]([C@@H]1C[C@@H]1C(O)=O)C(O)=O Amb25274089 [0,0,0,1,1,0|2,0,0]=4 300 B11R1.704 N[C@H]([C@@H]1C[C@H]1C(O)=O)C(O)=O Amb25242512 [0,0,0,1,1,0|2,0,0]=4 301 B11R1.704 N[C@H]([C@H]1C[C@H]1C(O)=O)C(O)=O Amb24692814 [0,0,0,1,1,0|2,0,0]=4 302 B11R1.723 NC1(CCC1C(O)=O)C(O)=O Amb24381448 [0,0,0,1,1,0|2,0,0]=4 303 B11R1.927 NC(=O)CC1CC1(N)C(O)=O Amb25738018 [0,0,0,1,1,0|1,0,0]=3 304 B11R1.927 N[C@@]1(C[C@@H]1CC(O)=O)C(O)=O Amb19148343 [0,0,0,1,1,0|2,0,0]=4 305 B11R1.927 N[C@@]1(C[C@@H]1CC(O)=O)C(O)=O Amb25321870 [0,0,0,1,1,0|2,0,0]=4 306 B11R1.927 N[C@]1(C[C@H]1CC(O)=O)C(O)=O Amb25179270 [0,0,0,1,1,0|2,0,0]=4 307 B13R1.148 NC=1NC(CC(N)C(O)=O)CCN1 Amb25101585 [0,0,0,1,0,1|0,0,0]=2 308 B13R1.1060 NC(=O)[C@H]1CCCC[C@H](N1)C(O)=O Amb25179908 [0,0,0,1,0,1|2,0,0]=4 309 B13R1.3443 NC(=N)NCCC1CC(N)C(=O)O1 Amb25857216 [0,0,0,1,0,1|0,0,2]=4 310 B13R1.3443 NC(=N)NCC[C@H]1C[C@H](N)C(=O)O1 Amb25364948 [0,0,0,1,0,1|0,0,2]=4 311 B13R1.897 NC(C1NC(=N)NCC1O)C(O)=O Amb24430072 [0,1,0,1,0,0|0,0,2]=4 312 B13R1.897 N[C@@H]([C@@H]1NC(=N)NC[C@H]1O)C(O)=O Amb25245116 [0,1,0,1,0,0|0,0,2]=4 313 B13R1.8689 NC(=N)NCC1CC(N)(C1)C(O)=O Amb25034529 [0,1,0,1,0,0|0,0,2]=4 314 B13R1.585 NC(=N)NC1CNC(CC1)C(O)=O Amb24595813 [0,1,0,1,0,0|0,0,2]=4 315 B13R1.585 NC(=N)N[C@@H]1CN[C@@H](CC1)C(O)=O Amb24644147 [0,1,0,1,0,0|0,0,2]=4 316 B13R1.585 NC(=N)N[C@H]1CN[C@H](CC1)C(O)=O Amb25176156 [0,1,0,1,0,0|0,0,2]=4 317 B13R1.8780 NC(=O)C1CC(N)(CCC1)C(O)=O Amb25758646 [0,1,0,1,0,0|2,0,0]=4 318 B13R1.3423 NC(C1CC(O)NC(=N)N1)C(O)=O Amb25065348 [0,1,0,1,0,0|0,0,2]=4 319 B13R1.3423 N[C@@H](C1C[C@H](O)NC(=N)N1)C(O)=O Amb24642024 [0,1,0,1,0,0|0,0,2]=4 320 B13R2.400 CC=1NC2CC(CC2N1)C(O)=O Amb18826584 [0,0,0,2,0,0|2,0,0]=4 321 B13R2.3291 N=C1NC2CC(N1)C(N2)C(O)=O Amb25088338 [0,0,0,2,0,0|0,0,2]=4 322 B13R2.3291 N=C1N[C@@H]2C[C@@H](N1)[C@@H](N2)C(O)=O Amb25321974 [0,0,0,2,0,0|0,0,2]=4 323 B13R2.3291 N=C1N[C@H]2C[C@@H](N1)C(N2)C(O)=O Amb24550593 [0,0,0,2,0,0|0,0,2]=4 324 B13R2.3291 N=C1N[C@H]2C[C@@H](N1)[C@H](N2)C(O)=O Amb24552939 [0,0,0,2,0,0|0,0,2]=4 325 B9R0.1 NC(CCCC(O)=O)C=O Amb25075707 [1,0,0,0,1,0|2,0,0]=4 326 B9R0.7 CC(=C)CC[C@@H](N)C(O)=O Amb25775219 [0,0,0,0,2,0|2,0,0]=4 327 B9R0.7 CC(=O)C(N)CCC(N)=O Amb25231237 [0,0,0,0,2,0|2,0,0]=4 328 B9R0.7 CC(=O)CCC(N)C(O)=O Amb20669473 [0,0,0,0,2,0|2,0,0]=4 329 B9R0.7 CC(=O)CCC(N)C(O)=O Amb22157242 [0,0,0,0,2,0|2,0,0]=4 330 B9R0.7 CC(=O)CC[C@@H](N)C(O)=O Amb19130479 [0,0,0,0,2,0|2,0,0]=4 331 B9R0.7 CC(=O)CC[C@H](N)C(O)=O Amb25147501 [0,0,0,0,2,0|2,0,0]=4 332 B9R0.7 CC(=O)[C@@H](N)CCC(N)=O Amb25142080 [0,0,0,0,2,0|2,0,0]=4 333 B9R0.7 C[C@H](N)CC[C@@H](N)C(O)=O Amb25199121 [0,0,0,0,2,0|1,0,1]=4 334 B9R0.7 NC(=N)NCC(N)C(O)=O Amb22169574 [0,0,0,0,2,0|0,0,2]=4 335 B9R0.7 NC(=N)NC[C@@H](C(=O)O)N Amb16232025 [0,0,0,0,2,0|0,0,2]=4 336 B9R0.7 NC(=O)CCC(F)C(O)=O Amb24745286 [0,0,0,0,2,0|2,0,0]=4 337 B9R0.7 NC(=O)CCC(O)C(O)=O Amb25275311 [0,0,0,0,2,0|2,0,0]=4 338 B9R0.7 NC(=O)CC[13C@H](N)[13C](O)=O Amb22338972 [0,0,0,0,2,0|1,0,0]=3 339 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O Amb22748708 [0,0,0,0,2,0|2,0,0]=4 340 B9R0.7 NC(=O)CC[C@H](Br)C(O)=O Amb25223377 [0,0,0,0,2,0|2,0,0]=4 341 B9R0.7 NC(=O)CC[C@H](N)C(N)=O Amb24426852 [0,0,0,0,2,0|2,0,0]=4 342 B9R0.7 NC(=O)NC[C@H](C(=O)O)N Amb10068479 [0,0,0,0,2,0|1,0,1]=4 343 B9R0.7 NC(=O)SC[C@H](C(=O)O)N Amb10072293 [0,0,0,0,2,0|2,0,0]=4 344 B9R0.7 NC(=O)SC[C@H](N)C(O)=O Amb22735296 [0,0,0,0,2,0|2,0,0]=4 345 B9R0.7 NC(CCC(=O)Br)C(O)=O Amb25224344 [0,0,0,0,2,0|2,0,0]=4 346 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350008 [0,0,0,0,2,0|2,0,0]=4 347 B9R0.7 NC(CCC(O)=O)C(O)=O Amb22350165 [0,0,0,0,2,0|2,0,0]=4 348 B9R0.7 NC(CCC(O)=O)[13C](O)=O Amb22367384 [0,0,0,0,2,0|2,0,0]=4 349 B9R0.7 NC(CCC(O)=S)C(O)=O Amb25039924 [0,0,0,0,2,0|2,0,0]=4 350 B9R0.7 NC(CC[13C](O)=O)C(O)=O Amb22366853 [0,0,0,0,2,0|2,0,0]=4 351 B9R0.7 N[13C](=O)CC[C@@H](C(=O)O)N Amb17614783 [0,0,0,0,2,0|1,0,0]=3 352 B9R0.7 N[13C](=O)[13CH2][13CH2][13C@H](N)[13C](O)=O Amb22367371 [0,0,0,0,2,0|1,0,0]=3 353 B9R0.7 N[C@@H](CCC(=O)Br)C(O)=O Amb25123825 [0,0,0,0,2,0|2,0,0]=4 354 B9R0.7 N[C@@H](CCC(=O)Cl)C(O)=O Amb25065344 [0,0,0,0,2,0|2,0,0]=4 355 B9R0.7 N[C@@H](CCC(O)=O)[13C](O)=O Amb22353662 [0,0,0,0,2,0|2,0,0]=4 356 B9R0.7 N[C@@H](CCC(O)=S)C(O)=O Amb24480492 [0,0,0,0,2,0|2,0,0]=4 357 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22338524 [0,0,0,0,2,0|2,0,0]=4 358 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22350063 [0,0,0,0,2,0|2,0,0]=4 359 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22800016 [0,0,0,0,2,0|2,0,0]=4 360 B9R0.7 N[C@@H](CCC([O-])=O)C(O)=O Amb22801488 [0,0,0,0,2,0|2,0,0]=4 361 B9R0.7 N[C@@H]([13CH2]CC(O)=O)C(O)=O Amb22338711 [0,0,0,0,2,0|2,0,0]=4 362 B9R0.7 OC(=O)CCC(C(=O)O)N Amb1778181 [0,0,0,0,2,0|2,0,0]=4 363 B9R0.7 [15NH2]C(=O)CC[C@@H](C(=O)O)N Amb17614782 [0,0,0,0,2,0|1,0,0]=3 364 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(O)=O Amb22338766 [0,0,0,0,2,0|1,0,0]=3 365 B9R0.7 [15NH2]C(CCC(O)=O)C(O)=O Amb22336520 [0,0,0,0,2,0|2,0,0]=4 366 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](O)=O)[13C](O)=O Amb22353585 [0,0,0,0,2,0|2,0,0]=4 367 B9R0.7 [15NH2][13C](=O)[13CH2][13CH2][13C@H]([15NH2])[13C](O)=O Amb22353586 [0,0,0,0,2,0|1,0,0]=3 368 B11R0.30 NC(=N)NCCCCCC(O)=O Amb20621391 [1,0,0,0,0,1|0,0,2]=4