0 B9R0.55 C(=C\C(=O)O)\C=C/C(=O)O CCU [0,0,0,0,0,0|0,0,4]=4 1 B9R0.55 C(CCC(=O)O)CC(=O)O 0L1 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.55 CC(C)CCCCC(=O)O 6F5 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.55 N=C(/N)\NCCCC(=O)O ALG [0,0,0,0,0,0|3,0,0]=3 4 B8R0.7 C(CCC(=O)O)CCN ACA [1,0,0,0,0,0|1,0,1]=3 5 B8R0.7 C(CCC(=O)O)CCN AHA [1,0,0,0,0,0|1,0,1]=3 6 B8R0.7 C(CNCC(=O)O)C=O CL5 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.7 CCCCCCC(=O)N HPN [1,0,0,0,0,0|2,0,1]=4 8 B8R0.7 CCCCCCC(=O)O SHV [1,0,0,0,0,0|1,0,1]=3 9 B10R0.15 CC(=O)CSCCS(=O)(=O)O KPC [0,1,0,0,0,0|3,0,0]=4 10 B10R0.55 CC[C@H](C)CCCCC(=O)O 6FH [0,1,0,0,0,0|2,0,1]=4 11 B10R0.96 C(CC(=O)N)[C@@H](CC(=O)O)N B3Q [0,1,0,0,0,0|1,0,0]=2 12 B10R0.96 C(CC(=O)O)[C@@H](CC(=O)O)N B3E [0,1,0,0,0,0|0,0,0]=1 13 B10R0.96 CC(=O)CC(=O)CCC(=O)O SHU [0,1,0,0,0,0|1,0,1]=3 14 B10R0.98 C(C(=O)C(=O)O)SCC(=O)O XYN [0,1,0,0,0,0|1,0,1]=3 15 B10R0.98 C(C(=O)O)S\C=C(\C(=O)O)/O XYM [0,1,0,0,0,0|1,0,2]=4 16 B10R0.98 C(CC(=O)C(=O)O)CC(=O)O OOG [0,1,0,0,0,0|0,0,1]=2 17 B10R0.98 C(C[C@@H](C(=O)O)N)CC(=O)O UN1 [0,1,0,0,0,0|0,0,0]=1 18 B10R0.98 C(C[C@H](C(=O)O)N)CC(=O)O 11C [0,1,0,0,0,0|0,0,0]=1 19 B10R0.98 C([C@@H](C(=O)N)N)SCC(=O)O 48V [0,1,0,0,0,0|2,0,0]=3 20 B10R0.98 C([C@@H](C(=O)O)N)SCC(=O)N YCM [0,1,0,0,0,0|2,0,0]=3 21 B10R0.98 C([C@@H](C(=O)O)N)SCC(=O)O CAY [0,1,0,0,0,0|1,0,0]=2 22 B10R0.98 C([C@@H](C(=O)O)N)SCC(=O)O CCS [0,1,0,0,0,0|1,0,0]=2 23 B10R0.98 C([C@@H](C(=O)O)N)[Se]CC(=O)N SYS [0,1,0,0,0,0|2,0,0]=3 24 B10R0.98 C([C@H](C(=O)N)N)SCC(=O)O AEA [0,1,0,0,0,0|2,0,0]=3 25 B10R0.98 CC(=O)CSC[C@@H](C(=O)O)N CSA [0,1,0,0,0,0|2,0,0]=3 26 B10R1.54 C1=CC(=O)O[C@H]1CC(=O)O MUC [0,0,0,1,0,0|0,0,2]=3 27 B10R1.113 C1CN[C@@H](CC1=O)C(=O)O MHV [0,0,0,1,0,0|2,0,0]=3 28 B10R1.113 C1C[C@H](CC(=O)C1)C(=O)O 3OC [0,0,0,1,0,0|1,0,0]=2 29 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O 4CS [0,0,0,1,0,0|3,0,0]=4 30 B10R1.128 C[N+]1(CCC[C@H]1C(=O)O)C PBE [0,0,0,1,0,0|3,0,0]=4 31 B8R0.28 C(C(=O)O)OCC(=O)O OEG [0,0,0,0,1,0|1,0,0]=2 32 B8R0.28 C(C(=O)O)SCC(=O)O 9X6 [0,0,0,0,1,0|1,0,0]=2 33 B8R0.28 C(CC(=O)O)CC(=O)O GUA [0,0,0,0,1,0|0,0,0]=1 34 B8R0.28 C(CC(=O)O)C[N+](=O)[O-] 4NI [0,0,0,0,1,0|1,0,1]=3 35 B8R0.28 C(CNC(=O)N)C(=O)O URP [0,0,0,0,1,0|2,0,0]=3 36 B8R0.28 C(\C=C\C(=O)O)C(=O)O G9A [0,0,0,0,1,0|0,0,2]=3 37 B8R0.28 CC(=O)CCCC(=O)O 4AT [0,0,0,0,1,0|1,0,0]=2 38 B10R0.97 C(CCC(=O)O)CCC(=O)O PML [0,0,0,0,0,1|0,0,0]=1 39 B10R0.97 N=C(\N)/NCCCCC(=O)O GVA [0,0,0,0,0,1|2,0,0]=3 40 B7R0.1 C(CCC=O)CCN DNL [2,0,0,0,0,0|1,0,1]=4 41 B7R0.1 C(CCCO)CCO HEZ [2,0,0,0,0,0|0,0,2]=4 42 B7R0.4 C(CCO)CC(=O)O SHO [2,0,0,0,0,0|0,0,0]=2 43 B7R0.4 C(CC[NH3+])CC(=O)O DAV [2,0,0,0,0,0|1,0,0]=3 44 B7R0.4 C(COCC(=O)O)O VKC [2,0,0,0,0,0|1,0,0]=3 45 B7R0.4 C(CSCC(=O)O)N ESD [2,0,0,0,0,0|2,0,0]=4 46 B7R0.4 CCCCCC(=O)C HTX [2,0,0,0,0,0|1,0,1]=4 47 B7R0.4 CCCCCC(=O)O 6NA [2,0,0,0,0,0|0,0,1]=3 48 B9R0.2 C(CCCN)CCC(=O)O 011 [1,1,0,0,0,0|1,0,1]=4 49 B9R0.2 C(CCNCC(=O)O)CN NLY [1,1,0,0,0,0|1,0,1]=4 50 B9R0.2 CCCCCCCC(=O)O OCA [1,1,0,0,0,0|1,0,1]=4 51 B9R0.4 C(C[C@@H](CC(=O)O)N)CN KBE [1,1,0,0,0,0|1,0,1]=4 52 B9R0.4 CSCC[C@@H](CC(=O)O)N B3M [1,1,0,0,0,0|2,0,0]=4 53 B9R0.46 C(CCC(=O)NO)CCN 6XA [1,1,0,0,0,0|1,0,1]=4 54 B9R0.47 C(CCN)C[C@@H](C(=O)O)N LYS_LFOH_DHZ3 [1,1,0,0,0,0|1,0,1]=4 55 B9R0.47 C(CCN)C[C@@H](C(=O)O)[NH-] LYS_LEO2H_DHZ3 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.47 C(CCN)C[C@H](C(=O)O)N DLY [1,1,0,0,0,0|1,0,1]=4 57 B9R0.47 C(CCO)C[C@@H](C(=O)O)N LDO [1,1,0,0,0,0|0,0,1]=3 58 B9R0.47 C(CCO)C[C@H](C(=O)O)N DDO [1,1,0,0,0,0|0,0,1]=3 59 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)O)N LYS [1,1,0,0,0,0|1,0,1]=4 60 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)O)N LYS_LFOH [1,1,0,0,0,0|1,0,1]=4 61 B9R0.47 C(CC[NH3+])C[C@@H](C(=O)O)[NH-] LYS_LEO2H [1,1,0,0,0,0|1,0,1]=4 62 B9R0.47 C(CSCO)[C@@H](C(=O)O)N ME0 [1,1,0,0,0,0|1,0,1]=4 63 B9R0.47 C(CSC[C@@H](C(=O)O)N)O CS0 [1,1,0,0,0,0|1,0,1]=4 64 B9R0.47 C(CSC[C@@H](C(=O)O)N)O OCY [1,1,0,0,0,0|1,0,1]=4 65 B9R0.47 C(C[C@@H](C(=O)O)N)CNO ONH [1,1,0,0,0,0|1,0,0]=3 66 B9R0.47 C(C[C@@H](C(=O)O)N)CON 19W [1,1,0,0,0,0|2,0,0]=4 67 B9R0.47 CCCCC[C@@H](C(=O)O)N AHP [1,1,0,0,0,0|1,0,1]=4 68 B9R0.7 *=C(*)CC[C@@H](C(=O)O)N GLX [0,1,0,0,1,0|2,0,0]=4 69 B9R0.7 C(C(=O)O)NC(=O)C(=O)O OGA [0,1,0,0,1,0|1,0,1]=4 70 B9R0.7 C(CC(=O)N)[C@@H](C(=O)N)N 6E4 [0,1,0,0,1,0|2,0,0]=4 71 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N GLN [0,1,0,0,1,0|1,0,0]=3 72 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N GLN_LFOH [0,1,0,0,1,0|1,0,0]=3 73 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)[NH-] GLN_LEO2H [0,1,0,0,1,0|1,0,0]=3 74 B9R0.7 C(CC(=O)N)[C@@H](C(=O)[O-])[NH-] GLN_LEO2 [0,1,0,0,1,0|1,0,1]=4 75 B9R0.7 C(CC(=O)N)[C@@H](C(=O)[O-])[NH3+] GLN_LFZW [0,1,0,0,1,0|1,0,1]=4 76 B9R0.7 C(CC(=O)N)[C@H](C(=O)O)N DGN [0,1,0,0,1,0|1,0,0]=3 77 B9R0.7 C(CC(=O)O)C(=O)C(=O)O 2OG [0,1,0,0,1,0|0,0,1]=3 78 B9R0.7 C(CC(=O)O)C(=O)C(=O)O AKG [0,1,0,0,1,0|0,0,1]=3 79 B9R0.7 C(CC(=O)O)[C@@H](C(=O)N)N GMA [0,1,0,0,1,0|1,0,0]=3 80 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N GGL [0,1,0,0,1,0|0,0,0]=2 81 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N GLU [0,1,0,0,1,0|0,0,0]=2 82 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N GLU_LFOH [0,1,0,0,1,0|0,0,0]=2 83 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)O S2G [0,1,0,0,1,0|0,0,0]=2 84 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)[NH-] GLU_LEO2H [0,1,0,0,1,0|0,0,0]=2 85 B9R0.7 C(CC(=O)O)[C@@H](C(=O)[O-])[NH-] GLU_LEO2 [0,1,0,0,1,0|0,0,1]=3 86 B9R0.7 C(CC(=O)O)[C@@H](C(=O)[O-])[NH3+] GLU_LFZW [0,1,0,0,1,0|0,0,1]=3 87 B9R0.7 C(CC(=O)O)[C@@H](C(O)O)N GLK [0,1,0,0,1,0|0,0,2]=4 88 B9R0.7 C(CC(=O)O)[C@H](C(=O)N)N ZGL [0,1,0,0,1,0|1,0,0]=3 89 B9R0.7 C(CC(=O)O)[C@H](C(=O)O)N DGL [0,1,0,0,1,0|0,0,0]=2 90 B9R0.7 C(CC(=O)O)[C@H](C(=O)O)N FGA [0,1,0,0,1,0|0,0,0]=2 91 B9R0.7 C(CC(=O)O)[C@H](C(=O)O)O 2HG [0,1,0,0,1,0|0,0,0]=2 92 B9R0.7 C(CC(=O)[O-])[C@@H](C(=O)O)N GLU_LFOH_DHE2 [0,1,0,0,1,0|0,0,1]=3 93 B9R0.7 C(CC(=O)[O-])[C@@H](C(=O)O)[NH-] GLU_LEO2H_DHE2 [0,1,0,0,1,0|0,0,1]=3 94 B9R0.7 C(CC(=O)[O-])[C@@H](C(=O)[O-])[NH-] GLU_LEO2_DHE2 [0,1,0,0,1,0|0,0,2]=4 95 B9R0.7 C(CC(=O)[O-])[C@@H](C(=O)[O-])[NH3+] GLU_LFZW_DHE2 [0,1,0,0,1,0|0,0,2]=4 96 B9R0.7 C(CC(O)O)[C@@H](C(=O)O)N GLJ [0,1,0,0,1,0|0,0,2]=4 97 B9R0.7 C([C@@H](C(=O)O)N)SC(=O)N QCS [0,1,0,0,1,0|2,0,0]=4 98 B9R0.7 CC(=O)CC[C@@H](C(=O)O)N ONL [0,1,0,0,1,0|1,0,0]=3 99 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N OAS [0,1,0,0,1,0|2,0,0]=4 100 B9R0.7 CC(=O)SC[C@@H](C(=O)O)N SCY [0,1,0,0,1,0|2,0,0]=4 101 B9R0.7 CC(=O)[C@H](CCC(=O)O)N MKE [0,1,0,0,1,0|1,0,0]=3 102 B9R0.7 C[C@@H](CNC(=O)N)C(=O)O URQ [0,1,0,0,1,0|2,0,0]=4 103 B9R0.7 C[C@H]([C@H](CCC(=O)O)N)O EKE [0,1,0,0,1,0|1,0,1]=4 104 B9R0.7 C[S@@](=O)CC[C@@H](C(=O)O)N SME [0,1,0,0,1,0|2,0,0]=4 105 B9R0.7 C[S@](=O)CC[C@@H](C(=O)O)N MHO [0,1,0,0,1,0|2,0,0]=4 106 B9R0.7 C[Se@@](=O)CC[C@@H](C(=O)O)N MSO [0,1,0,0,1,0|2,0,0]=4 107 B9R0.53 C(C(CC(=O)O)N)C(=O)O B3D [0,1,0,0,1,0|0,0,0]=2 108 B9R0.53 C(C(CC(=O)O)O)C(=O)O 3HG [0,1,0,0,1,0|0,0,0]=2 109 B9R0.53 C([C@@H](CC(=O)O)N)C(=O)N B3X [0,1,0,0,1,0|1,0,0]=3 110 B9R0.56 C(C(=O)O)NCP(=O)(O)O GPF [0,1,0,0,1,0|2,0,0]=4 111 B9R0.56 C(C(=O)O)[NH2+]CP(=O)(O)O GPJ [0,1,0,0,1,0|2,0,0]=4 112 B9R0.56 C(COP(=O)(O)O)C(=O)O 48X [0,1,0,0,1,0|2,0,0]=4 113 B11R0.6 C(C[C@@H](CC(=O)O)O)CC(=O)O HHD [0,1,0,0,0,1|0,0,0]=2 114 B11R0.29 C(CCC(=O)O)CC(=O)C(=O)O 6GT [0,1,0,0,0,1|0,0,0]=2 115 B11R0.29 C(CCC(=O)O)C[C@@H](C(=O)O)N NPI [0,1,0,0,0,1|0,0,0]=2 116 B11R0.29 C(CCC(=O)O)C[C@H](C(=O)O)N P0A [0,1,0,0,0,1|0,0,0]=2 117 B11R0.29 C(CCC(O)O)C[C@@H](C(=O)O)N DHH [0,1,0,0,0,1|0,0,2]=4 118 B11R0.29 C(CC[N+](=O)[O-])C[C@@H](C(=O)O)N 6HN [0,1,0,0,0,1|1,0,1]=4 119 B11R0.29 C(C[C@@H](C(=O)O)N)CNC(=O)N CIR [0,1,0,0,0,1|1,0,0]=3 120 B11R0.29 C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ARG [0,1,0,0,0,1|2,0,0]=4 121 B11R0.29 C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ARG_LFOH [0,1,0,0,0,1|2,0,0]=4 122 B11R0.29 C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ARG_LFOH_RNH1 [0,1,0,0,0,1|2,0,0]=4 123 B11R0.29 C(C[C@@H](C(=O)O)N)C\N=C(\N)/S SCI [0,1,0,0,0,1|1,1,0]=4 124 B11R0.29 C(C[C@@H](C(=O)O)[NH-])CNC(=[NH2+])N ARG_LEO2H [0,1,0,0,0,1|2,0,0]=4 125 B11R0.29 C(C[C@@H](C(=O)O)[NH-])CNC(=[NH2+])N ARG_LEO2H_RNH1 [0,1,0,0,0,1|2,0,0]=4 126 B11R0.29 C(C[C@H](C(=O)O)N)CNC(=[NH2+])N DAR [0,1,0,0,0,1|2,0,0]=4 127 B11R0.29 CC(=N)NCCC[C@@H](C(=O)O)N ILO [0,1,0,0,0,1|2,0,0]=4 128 B11R0.29 CC(=O)NCCC[C@@H](C(=O)O)N ORQ [0,1,0,0,0,1|1,0,0]=3 129 B11R0.29 CC(=O)NCSC[C@@H](C(=O)O)N CY1 [0,1,0,0,0,1|2,0,0]=4 130 B11R0.29 N=C(/N)\NCCC[C@@H](C(=O)O)N ARG_LFOH_DHH12 [0,1,0,0,0,1|2,0,0]=4 131 B11R0.29 N=C(/N)\NCCC[C@@H](C(=O)O)[NH-] ARG_LEO2H_DHH12 [0,1,0,0,0,1|2,0,0]=4 132 B11R0.29 N=C(\N)/NCCC[C@@H](C(=O)O)N ARG_LFOH_DHH22 [0,1,0,0,0,1|2,0,0]=4 133 B11R0.29 N=C(\N)/NCCC[C@@H](C(=O)O)[NH-] ARG_LEO2H_DHH22 [0,1,0,0,0,1|2,0,0]=4 134 B11R0.29 N=C(\N)/NCCC[C@@H](C(=O)O)[NH3+] GND [0,1,0,0,0,1|2,0,0]=4 135 B11R0.111 C(CCNC(=O)O)C[C@@H](CO)N LCX [0,1,0,0,0,1|1,0,1]=4 136 B11R0.318 C(CC(=O)C(=O)O)CP(=O)(O)O KPA [0,2,0,0,0,0|1,0,1]=4 137 B11R0.318 C(C[C@@H](C(=O)O)N)CP(=O)(O)O 5OY [0,2,0,0,0,0|1,0,0]=3 138 B11R0.318 C(C[C@H](C(=O)O)N)CP(=O)(O)O 2JJ [0,2,0,0,0,0|1,0,0]=3 139 B11R0.318 C([C@@H](C(=O)O)N)SCP(=O)(O)O CYQ [0,2,0,0,0,0|2,0,0]=4 140 B11R0.109 C(CNC(=O)C=O)[C@@H](C(=O)O)N UU5 [0,2,0,0,0,0|1,0,1]=4 141 B11R0.109 C(C[C@@H](C(=O)O)N)CN(C=O)O FHO [0,2,0,0,0,0|1,0,0]=3 142 B11R0.109 C(C[C@H](C(=O)O)N)CN(C=O)O FH7 [0,2,0,0,0,0|1,0,0]=3 143 B11R0.109 N=C(\NCC[C@@H](C(=O)O)N)/NO NNH [0,2,0,0,0,0|2,0,0]=4 144 B11R0.33 N=C(/C[C@@H](C(=O)O)N)\OC(=O)O A5N [0,2,0,0,0,0|1,0,1]=4 145 B11R0.150 C([C@@H](C(=O)O)N)S[C@H](C(=O)O)O CGV [0,2,0,0,0,0|1,0,0]=3 146 B9R1.6 C1CCN[C@@H](C1)C(=O)O YCP [1,0,0,1,0,0|1,0,1]=4 147 B9R1.6 C1CCN[C@H](C1)C(=O)O CPI [1,0,0,1,0,0|1,0,1]=4 148 B9R1.13 C1CCC(C1)CC(=O)O 0PA [1,0,0,1,0,0|1,0,1]=4 149 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O HY3 [1,0,0,1,0,0|1,0,1]=4 150 B9R1.41 C1C[C@@H]([C@H](C1)N)C(=O)O XCP [1,0,0,1,0,0|1,0,1]=4 151 B9R1.41 CN1CCC[C@H]1C(=O)O 3BY [1,0,0,1,0,0|2,0,0]=4 152 B9R1.41 C[N@@]1CCC[C@H]1C(=O)O PKR [1,0,0,1,0,0|2,0,0]=4 153 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O 5HP [0,0,0,1,1,0|1,0,0]=3 154 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O PCA [0,0,0,1,1,0|1,0,0]=3 155 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O PCC [0,0,0,1,1,0|1,0,0]=3 156 B9R1.35 C1[C@H](NCC1=O)C(=O)O DPL [0,0,0,1,1,0|2,0,0]=4 157 B9R1.161 [C@@H]1(C(O1)C(=O)O)C(=O)O EPO [0,0,0,1,1,0|1,0,0]=3 158 B11R1.75 C1[C@H](NC(=[NH2+])N1)CCC(=O)O ECD [0,0,0,1,0,1|2,0,0]=4 159 B11R1.157 C1C[C@@H](CC(=O)C1)CC(=O)O KTA [0,0,0,1,0,1|1,0,0]=3 160 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O N8P [0,0,0,1,0,1|1,0,0]=3 161 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O N7P [0,0,0,1,0,1|1,0,0]=3 162 B11R1.645 CC1=CC(=O)O[C@H]1CC(=O)O 3ML [0,1,0,1,0,0|0,0,2]=4 163 B11R1.1039 C[C@@]1(C=CC(=O)O1)CC(=O)O 4ML [0,1,0,1,0,0|0,0,2]=4 164 B11R1.175 C1[C@H](N[C@H](S1)C(=O)O)C(=O)O 5XB [0,1,0,1,0,0|1,0,0]=3 165 B11R1.314 C1=CC(=O)O[C@H]1[C@@H](C(=O)O)Cl K6H [0,1,0,1,0,0|0,0,2]=4 166 B7R0.6 C(=C\C(=O)O)/C(=O)O FUM [0,0,0,0,2,0|0,0,2]=4 167 B7R0.6 C(=C\C(=O)O)\C(=O)O MAE [0,0,0,0,2,0|0,0,2]=4 168 B7R0.6 C(CC(=O)O)C(=O)O SIN [0,0,0,0,2,0|0,0,0]=2 169 B7R0.6 C(C[N+](=O)[O-])C(=O)O 3NP [0,0,0,0,2,0|1,0,1]=4 170 B7R0.6 CC(=O)CCC(=O)O SHF [0,0,0,0,2,0|1,0,0]=3 171 B7R0.6 CC(=O)NCC(=O)O AAC [0,0,0,0,2,0|2,0,0]=4 172 B11R0.30 C(CCCC(=O)O)CCC(=O)O OCE [0,0,0,0,0,2|0,0,0]=2 173 B11R0.30 C(COCC(=O)N)OCC(=O)N OGG [0,0,0,0,0,2|2,0,0]=4 174 B11R0.30 N=C(/N)\NCCCCCC(=O)O GHS [0,0,0,0,0,2|2,0,0]=4