0 B11R0.29 CC(=N)NCCC[C@@H](N)C(O)=O Amb19132784 [1,0,0,0,0,0|1,0,0]=2 1 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb22745261 [1,0,0,0,0,0|3,0,0]=4 2 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb22747127 [1,0,0,0,0,0|3,0,0]=4 3 B11R0.29 CC(=O)NCSC[C@@H](N)C(O)=O Amb23438964 [1,0,0,0,0,0|3,0,0]=4 4 B11R0.29 CC(=O)NCSC[C@H](N)C(O)=O Amb22231424 [1,0,0,0,0,0|3,0,0]=4 5 B11R0.29 CC(=O)NCSC[C@H](N)C(O)=O Amb22349445 [1,0,0,0,0,0|3,0,0]=4 6 B11R0.29 NC(=N)NCCCC(C(=O)O)N Amb1151252 [1,0,0,0,0,0|0,0,0]=1 7 B11R0.29 NC(=N)NCCCC(N)C(O)=O Amb22349947 [1,0,0,0,0,0|0,0,0]=1 8 B11R0.29 NC(=N)NCCCC(O)C(O)=O Amb22730085 [1,0,0,0,0,0|1,0,0]=2 9 B11R0.29 NC(=N)NCCC[C@@H](C(=O)N)N Amb16232536 [1,0,0,0,0,0|1,0,0]=2 10 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745064 [1,0,0,0,0,0|0,0,0]=1 11 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745189 [1,0,0,0,0,0|0,0,0]=1 12 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745210 [1,0,0,0,0,0|0,0,0]=1 13 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745478 [1,0,0,0,0,0|0,0,0]=1 14 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22745921 [1,0,0,0,0,0|0,0,0]=1 15 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22748687 [1,0,0,0,0,0|0,0,0]=1 16 B11R0.29 NC(=N)NCCC[C@@H](N)C(O)=O Amb22801409 [1,0,0,0,0,0|0,0,0]=1 17 B11R0.29 NC(=N)NOCCC(N)C(O)=O Amb22261558 [1,0,0,0,0,0|1,0,0]=2 18 B11R0.29 NC(=N)NOCC[C@@H](C(=O)O)N Amb10843206 [1,0,0,0,0,0|1,0,0]=2 19 B11R0.29 NC(=N)NOCC[C@H](N)C(O)=O Amb22338123 [1,0,0,0,0,0|1,0,0]=2 20 B11R0.29 NC(=N)N\C=C\CC(N)C(O)=O Amb25097765 [1,0,0,0,0,0|0,0,2]=3 21 B11R0.29 NC(=O)NCCCC(N)C([O-])=O Amb22330608 [1,0,0,0,0,0|1,0,1]=3 22 B11R0.29 NC(=O)NCCC[C@@H](N)C(O)=O Amb22744872 [1,0,0,0,0,0|1,0,0]=2 23 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)S Amb19930603 [1,0,0,0,0,0|1,1,0]=3 24 B11R0.29 NC(=O)NCCC[C@H](N)C(O)=O Amb22169596 [1,0,0,0,0,0|1,0,0]=2 25 B11R0.29 NC(=O)[C@@H](N)CCCNC(N)=N Amb22899566 [1,0,0,0,0,0|1,0,0]=2 26 B11R0.29 NC(=S)NCCCC(N)C(O)=O Amb22470953 [1,0,0,0,0,0|1,0,0]=2 27 B11R0.29 NC(=S)NCCC[C@@H](N)C(O)=O Amb22799910 [1,0,0,0,0,0|1,0,0]=2 28 B11R0.29 NC(N)=NCCCC(N)C(O)=O Amb19866551 [1,0,0,0,0,0|0,0,2]=3 29 B11R0.29 N[13C](=N)N[13CH2][13CH2][13CH2][13C@H](N)[13C](O)=O Amb22337496 [1,0,0,0,0,0|0,0,0]=1 30 B11R0.29 N[C@@H](CCCCC(O)=O)C(O)=O Amb22746360 [1,0,0,0,0,0|3,0,0]=4 31 B11R0.29 N[C@@H](CCCNC(N)=N)C(O)=O Amb17942890 [1,0,0,0,0,0|0,0,0]=1 32 B11R0.29 N[C@@H](CCCNC(N)=N)C(O)=O Amb17942891 [1,0,0,0,0,0|0,0,0]=1 33 B11R0.29 [15NH2]C(=[15NH])[15NH]CCC[C@H]([15NH2])C(O)=O Amb22353583 [1,0,0,0,0,0|0,0,0]=1 34 B13R1.897 NC(C1NC(=N)NCC1O)C(O)=O Amb24430072 [0,0,0,1,0,0|0,0,0]=1 35 B13R1.897 N[C@@H]([C@@H]1NC(=N)NC[C@H]1O)C(O)=O Amb25245116 [0,0,0,1,0,0|0,0,0]=1 36 B13R1.1985 NC(=N)NCC1CCC(C1)C(O)=O Amb25858145 [0,0,0,1,0,0|2,0,0]=3 37 B13R1.8689 NC(=N)NCC1CC(N)(C1)C(O)=O Amb25034529 [0,0,0,1,0,0|1,0,0]=2 38 B10R0.75 C=CCCCC[C@@H](N)C(O)=O Amb22747247 [2,0,0,0,0,0|2,0,0]=4 39 B10R0.75 C=CCCCC[C@H](N)C(O)=O Amb22270014 [2,0,0,0,0,0|2,0,0]=4 40 B10R0.97 CC(=O)NCCCCC(O)=O Amb22330473 [2,0,0,0,0,0|2,0,0]=4 41 B10R0.97 CC(=O)NCCCNC(N)=N Amb24762922 [2,0,0,0,0,0|2,0,0]=4 42 B10R0.97 NC(=N)NCCCCC(O)=O Amb23523074 [2,0,0,0,0,0|0,0,0]=2 43 B10R0.97 NC(=N)SCCCCC(O)=O Amb19787005 [2,0,0,0,0,0|1,0,0]=3 44 B10R0.97 OC(=O)CCCCNC(=O)N Amb1154252 [2,0,0,0,0,0|1,0,0]=3 45 B10R0.97 OC(=O)CCCCSC(=N)N Amb1289596 [2,0,0,0,0,0|1,0,0]=3 46 B10R0.97 OC(=O)CCCCSC(=[NH2+])N Amb1156024 [2,0,0,0,0,0|1,0,1]=4 47 B10R0.96 NC(=N)NC[C@H](O)CC(O)=O Amb25386387 [2,0,0,0,0,0|1,0,1]=4 48 B12R0.86 COC(=O)[C@H](CCCNC(=N)N)N Amb16232499 [1,1,0,0,0,0|0,0,0]=2 49 B12R0.86 CSC(=O)[C@@H](N)CCCNC(N)=O Amb19930482 [1,1,0,0,0,0|1,1,0]=4 50 B12R0.186 CNC(=N)NCCC[C@@H](N)C(O)=O Amb22747925 [1,1,0,0,0,0|0,0,0]=2 51 B12R0.186 CNC(=N)NCCC[C@@H](N)C(O)=O Amb22799909 [1,1,0,0,0,0|0,0,0]=2 52 B12R0.186 CSC(=N)NCCCC(C(=O)O)N Amb17617832 [1,1,0,0,0,0|1,0,0]=3 53 B12R0.186 CSC(=N)NCCC[C@@H](N)C(O)=O Amb22799911 [1,1,0,0,0,0|1,0,0]=3 54 B12R0.186 CSC(=N)NCCC[C@@H](N)C(O)=O Amb22799912 [1,1,0,0,0,0|1,0,0]=3 55 B12R0.186 CSC(=N)NCCC[C@H](N)C(O)=O Amb22349931 [1,1,0,0,0,0|1,0,0]=3 56 B12R0.186 NC(CCCNC(=O)CI)C(O)=O Amb22731439 [1,1,0,0,0,0|2,0,0]=4 57 B12R0.186 NNC(=N)NCCC[C@H](N)C(O)=O Amb22053012 [1,1,0,0,0,0|0,0,0]=2 58 B12R0.186 N[C@@H](CCCNC(=N)NO)C(O)=O Amb19930455 [1,1,0,0,0,0|0,0,0]=2 59 B12R0.186 N[C@@H](CCCNC(=N)NO)C(O)=O Amb22800944 [1,1,0,0,0,0|0,0,0]=2 60 B12R0.186 N[C@@H](CCCNC(=O)CI)C(O)=O Amb19930302 [1,1,0,0,0,0|2,0,0]=4 61 B12R0.186 N\C(\NCCC[C@@H](N)C(O)=O)=N\O Amb19132635 [1,1,0,0,0,0|0,0,0]=2 62 B12R1.104 NC=1NCC(CC(N)C(O)=O)N1 Amb25343273 [1,0,0,1,0,0|0,0,0]=2 63 B12R1.104 N[C@@H](C[C@@H]1CNC(=N)N1)C(O)=O Amb24626578 [1,0,0,1,0,0|0,0,0]=2 64 B12R1.104 Nc1[nH]cc(C[C@H](N)C(O)=O)[n]1 Amb25367260 [1,0,0,1,0,0|0,0,2]=4 65 B12R1.225 N[C@@H](C1CCNC(=N)N1)C(O)=O Amb25751181 [1,0,0,1,0,0|0,0,0]=2 66 B12R1.225 N[C@H]([C@@H]1CCNC(=N)N1)C(O)=O Amb24565789 [1,0,0,1,0,0|0,0,0]=2 67 B12R1.258 NC(=N)N1CCCC(C1)C(=O)Cl Amb24062221 [1,0,0,1,0,0|2,0,0]=4 68 B12R1.258 NC(=O)C1CCCC(N1)C(O)=O Amb24588927 [1,0,0,1,0,0|2,0,0]=4 69 B12R1.258 NC(=O)N1CC(CCC1)C(O)=O Amb22586925 [1,0,0,1,0,0|2,0,0]=4 70 B12R1.258 NC(=O)N1C[C@@H](CCC1)C(O)=O Amb24436089 [1,0,0,1,0,0|2,0,0]=4 71 B12R1.258 NC(=O)[C@@H]1CCC[C@@H](N1)C(O)=O Amb24576611 [1,0,0,1,0,0|2,0,0]=4 72 B12R1.258 NC(=S)N1CCCC(C1)C(O)=O Amb25242015 [1,0,0,1,0,0|2,0,0]=4 73 B12R1.389 NC(=N)NC=1CC[C@H](N1)C(O)=O Amb25040870 [1,0,0,1,0,0|0,0,2]=4 74 B12R1.1388 NC(=O)N1CCCC1(O)C(O)=O Amb18647795 [1,0,0,1,0,0|2,0,0]=4 75 B12R1.1815 CC1(CCC1NC(N)=O)C(O)=O Amb24724615 [1,0,0,1,0,0|2,0,0]=4 76 B12R1.1815 C[C@]1(CC[C@@H]1NC(N)=O)C(O)=O Amb25363342 [1,0,0,1,0,0|2,0,0]=4 77 B12R1.850 CC(=O)N1CC(O)C[C@@H]1C(O)=O Amb18794751 [1,0,0,1,0,0|2,0,0]=4 78 B12R1.850 CC(=O)N1C[C@@H](O)C[C@@H]1C(O)=O Amb22746162 [1,0,0,1,0,0|2,0,0]=4 79 B12R1.850 NC(=O)N1CC(O)CC1C(N)=O Amb25722802 [1,0,0,1,0,0|2,0,0]=4 80 B12R1.850 NC(=O)N1C[C@@H](O)C[C@H]1C(O)=O Amb24471886 [1,0,0,1,0,0|1,0,0]=3 81 B12R1.850 NC(=O)N1C[C@H](O)C[C@@H]1C(O)=O Amb25108396 [1,0,0,1,0,0|1,0,0]=3 82 B12R1.850 OC1CC(N(C1)C(=O)C)C(=O)O Amb1117705 [1,0,0,1,0,0|2,0,0]=4 83 B12R1.850 OC1CC(N(C1)C(=O)N)C(=O)O Amb1150497 [1,0,0,1,0,0|1,0,0]=3 84 B12R1.111 NC(=O)C1CC(O)C(N1)C(N)=O Amb25152500 [0,0,0,1,1,0|2,0,0]=4 85 B12R1.2765 NC(C1C(C1O)C(O)=O)C(O)=O Amb24718555 [0,0,0,1,1,0|2,0,0]=4 86 B14R1.419 NC(=N)NC[C@@H]1CC[C@H](CC1)C(O)=O Amb25125585 [0,0,0,1,0,1|2,0,0]=4 87 B14R1.124 CC(=O)NC1CNC(CC1O)C(O)=O Amb24420347 [0,1,0,1,0,0|2,0,0]=4 88 B14R1.6049 NC(CC1CNC(=O)NC1=O)C(O)=O Amb24409641 [0,1,0,1,0,0|1,0,1]=4 89 B14R1.29074 NC1(CC(F)(C1)CNC(N)=N)C(O)=O Amb24632707 [0,1,0,1,0,0|1,0,0]=3 90 B10R0.98 CC(=O)NCCC(N)C(O)=O Amb25385160 [1,0,0,0,1,0|2,0,0]=4 91 B10R0.98 NC(=N)NCCC(C(=O)O)N Amb16233058 [1,0,0,0,1,0|0,0,0]=2 92 B10R0.98 NC(=N)NCC[C@@H](N)C(O)=O Amb22745595 [1,0,0,0,1,0|0,0,0]=2 93 B10R0.98 NC(=N)NCC[C@H](N)C(O)=O Amb20240584 [1,0,0,0,1,0|0,0,0]=2 94 B10R0.98 NC(=N)NOC[C@H](N)C(O)=O Amb25383805 [1,0,0,0,1,0|1,0,0]=3 95 B10R0.98 NC(=O)CCCC(C(=O)O)N Amb17614984 [1,0,0,0,1,0|1,0,0]=3 96 B10R0.98 NC(=O)NCCC(N)C(O)=O Amb25386183 [1,0,0,0,1,0|1,0,0]=3 97 B10R0.98 NC(=O)NCCC(S)C(O)=O Amb25385685 [1,0,0,0,1,0|2,0,0]=4 98 B10R0.98 NC(=O)NCC[C@@H](N)C(O)=O Amb25385246 [1,0,0,0,1,0|1,0,0]=3 99 B10R0.98 NC(=O)NCC[C@H](N)C(O)=O Amb25386286 [1,0,0,0,1,0|1,0,0]=3 100 B10R0.98 NC(=O)NCC[C@H](S)C(O)=O Amb25385201 [1,0,0,0,1,0|2,0,0]=4 101 B10R0.98 NC(CCCC(O)=O)C(O)=O Amb22740152 [1,0,0,0,1,0|2,0,0]=4 102 B10R0.98 NC(N)=NCCC(N)C(O)=O Amb22492813 [1,0,0,0,1,0|0,0,2]=4 103 B10R0.13 NC(C(O)CC(O)=O)C(O)=O Amb25383245 [0,0,0,0,2,0|2,0,0]=4 104 B10R0.13 N[C@@H](C(O)CC(O)=O)C(O)=O Amb22746926 [0,0,0,0,2,0|2,0,0]=4 105 B10R0.93 CC(C[C@H](N)C(O)=O)C(N)=O Amb25386389 [0,0,0,0,2,0|2,0,0]=4 106 B10R0.93 F[C@H](C(=O)N)C[C@@H](C(=O)O)N Amb10839753 [0,0,0,0,2,0|2,0,0]=4 107 B10R0.93 F[C@H](C(=O)N)C[C@H](C(=O)O)N Amb10839752 [0,0,0,0,2,0|2,0,0]=4 108 B10R0.93 NC(=O)C(F)CC(N)C(O)=O Amb25386442 [0,0,0,0,2,0|2,0,0]=4 109 B10R0.93 NC(=O)C(F)C[C@H](N)C(O)=O Amb25383170 [0,0,0,0,2,0|2,0,0]=4 110 B10R0.93 NC(=O)C(O)CC(O)C(O)=O Amb25385182 [0,0,0,0,2,0|2,0,0]=4 111 B10R0.93 NC(=O)N(O)CC(N)C(O)=O Amb25385220 [0,0,0,0,2,0|2,0,0]=4 112 B10R0.93 NC(=O)N(O)C[C@H](N)C(O)=O Amb25383798 [0,0,0,0,2,0|2,0,0]=4 113 B10R0.93 NC(=O)[C@H](F)C[C@@H](N)C(O)=O Amb25384972 [0,0,0,0,2,0|2,0,0]=4 114 B10R0.93 NC(O)C(O)CC(N)C(O)=O Amb25386028 [0,0,0,0,2,0|1,0,1]=4 115 B10R0.93 N[C@@H](C[C@H](O)C(O)=O)C(O)=O Amb22800665 [0,0,0,0,2,0|2,0,0]=4 116 B10R0.93 N[C@@H](C[C@H](O)C(O)=O)C(O)=O Amb24117514 [0,0,0,0,2,0|2,0,0]=4 117 B10R0.93 N[C@H](C[C@@H](O)C(O)=O)C(O)=O Amb25386295 [0,0,0,0,2,0|2,0,0]=4 118 B12R0.42 CC(=N)NCCCCC(N)C(O)=O Amb22231013 [1,0,0,0,0,1|1,0,0]=3 119 B12R0.42 CC(=N)NCCCCC(N)C(O)=O Amb22730116 [1,0,0,0,0,1|1,0,0]=3 120 B12R0.42 CC(=N)NCCCC[C@@H](C(=O)O)N Amb17616045 [1,0,0,0,0,1|1,0,0]=3 121 B12R0.42 CC(=N)NCCCC[C@@H](N)C(O)=O Amb19132782 [1,0,0,0,0,1|1,0,0]=3 122 B12R0.42 CC(=N)NCCCC[C@@H](N)C(O)=O Amb22800621 [1,0,0,0,0,1|1,0,0]=3 123 B12R0.42 CC(=O)NCCCC[C@@H](N)C(O)=O Amb24323525 [1,0,0,0,0,1|2,0,0]=4 124 B12R0.42 CC(=[NH2+])NCCCC[C@@H](N)C(O)=O Amb22799859 [1,0,0,0,0,1|1,0,1]=4 125 B12R0.42 NC(=N)NCCCC[C@@H](C(=O)O)N Amb16183863 [1,0,0,0,0,1|0,0,0]=2 126 B12R0.42 NC(=N)NCCCC[C@@H](N)C(O)=O Amb19132515 [1,0,0,0,0,1|0,0,0]=2 127 B12R0.42 NC(=O)NCCCC[C@H](C(=O)O)N Amb16183831 [1,0,0,0,0,1|1,0,0]=3