0 B8R0.9 C(CC(=O)O)C(=O)C=O HKV [0,0,0,0,0,0|3,0,0]=3 1 B8R0.9 C(CC(=O)O)C(=O)CCl TQ9 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.9 C(CC(=O)O)C(=O)CF LAF [0,0,0,0,0,0|3,0,0]=3 3 B8R0.9 C/C=C(\CCC(=O)O)/N GEG [0,0,0,0,0,0|3,0,0]=3 4 B8R0.9 CC[C@H](CCC(=O)O)N VIG [0,0,0,0,0,0|3,0,1]=4 5 B8R0.9 COC(=O)CCC(=O)O MSU [0,0,0,0,0,0|1,0,0]=1 6 B8R0.9 COC(CCC(=O)O)O HMB [0,0,0,0,0,0|1,0,2]=3 7 B7R0.3 COC(=O)CCCN GVE [1,0,0,0,0,0|1,0,1]=3 8 B7R0.4 CCCCCC(=O)C HTX [1,0,0,0,0,0|1,0,1]=3 9 B7R0.4 CCCCCC(=O)O 6NA [1,0,0,0,0,0|2,0,1]=4 10 B7R0.4 CCCCOC(=O)C 8JZ [1,0,0,0,0,0|2,0,1]=4 11 B7R0.6 C(=C\C(=O)O)/C(=O)O FUM [1,0,0,0,0,0|1,0,2]=4 12 B7R0.6 C(=C\C(=O)O)\C(=O)O MAE [1,0,0,0,0,0|1,0,2]=4 13 B7R0.6 C(CC(=O)O)C(=O)O SIN [1,0,0,0,0,0|1,0,0]=2 14 B7R0.6 C(C[N+](=O)[O-])C(=O)O 3NP [1,0,0,0,0,0|2,0,0]=3 15 B7R0.6 CC(=O)CCC(=O)O SHF [1,0,0,0,0,0|0,0,0]=1 16 B7R0.6 CC(=O)NCC(=O)O AAC [1,0,0,0,0,0|1,0,0]=2 17 B7R0.6 CC(C)CCC(=O)O 4MV [1,0,0,0,0,0|1,0,1]=3 18 B7R0.6 CC(C)COC(=O)O IBU [1,0,0,0,0,0|2,0,1]=4 19 B7R0.6 CC(C)NCC(=O)O IPG [1,0,0,0,0,0|2,0,1]=4 20 B7R0.6 CS(C)CCC(=O)O DQY [1,0,0,0,0,0|2,0,0]=3 21 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [1,0,0,0,0,0|1,0,1]=3 22 B7R0.6 N=C(\N)/NCC(=O)O NMG [1,0,0,0,0,0|3,0,0]=4 23 B9R0.7 C(CC(=O)O)C(=O)C(=O)O 2OG [0,1,0,0,0,0|3,0,0]=4 24 B9R0.7 C(CC(=O)O)C(=O)C(=O)O AKG [0,1,0,0,0,0|3,0,0]=4 25 B9R0.7 C[C@@H](C(=O)NCC(=O)O)S WJZ [0,1,0,0,0,0|3,0,0]=4 26 B9R0.21 CCC(=O)CCC(C)(C)O LTL [0,1,0,0,0,0|1,0,2]=4 27 B9R0.23 C([C@@H](C(=O)CCl)N)C(=O)O AKL [0,1,0,0,0,0|3,0,0]=4 28 B9R0.23 CC(C)C[C@@H](C(=O)NC)N LNM [0,1,0,0,0,0|2,0,1]=4 29 B9R0.23 CC(C)C[C@@H](C(=O)OC)N MLL [0,1,0,0,0,0|1,0,1]=3 30 B9R0.42 C([C@@H](C(=O)O)N)C(=O)NO SD4 [0,1,0,0,0,0|3,0,0]=4 31 B9R0.42 C([C@@H](C(=O)O)N)[S@@](=O)OO 0CS [0,1,0,0,0,0|3,0,0]=4 32 B9R0.42 C([C@H](C(=O)O)N)C(=O)NO SD3 [0,1,0,0,0,0|3,0,0]=4 33 B9R0.42 CNC(=O)C[C@@H](C(=O)O)N MEN [0,1,0,0,0,0|2,0,0]=3 34 B9R0.42 CNC(=O)C[C@H](C(=O)O)N MND [0,1,0,0,0,0|2,0,0]=3 35 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O 5HP [0,0,0,1,0,0|3,0,0]=4 36 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O PCA [0,0,0,1,0,0|3,0,0]=4 37 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O PCC [0,0,0,1,0,0|3,0,0]=4 38 B9R1.35 C1[C@H](NCC1=O)C(=O)O DPL [0,0,0,1,0,0|3,0,0]=4 39 B9R1.138 CC1(CCC(=O)N1C)C IP4 [0,0,0,1,0,0|2,0,1]=4 40 B9R0.1 C\C=C(/C)\CCC=C(C)C 650 [0,0,0,0,0,1|3,0,0]=4 41 B6R0.1 CCC(=O)OCC CA1 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.1 CCNC(=O)OC MEC [2,0,0,0,0,0|1,0,0]=3 43 B6R0.1 CCOC(=O)NC EMB [2,0,0,0,0,0|2,0,0]=4 44 B6R0.4 C#CCCC(=O)O 54L [2,0,0,0,0,0|0,0,2]=4 45 B6R0.4 C(CC(=O)O)C=O SSN [2,0,0,0,0,0|0,0,0]=2 46 B6R0.4 C(CC(=O)O)CBr 0A5 [2,0,0,0,0,0|1,0,1]=4 47 B6R0.4 C(CC(=O)O)CN ABU [2,0,0,0,0,0|1,0,1]=4 48 B6R0.4 C(CSS)C(=O)O 3SS [2,0,0,0,0,0|1,1,0]=4 49 B6R0.4 CC(C)CCC=O MOP [2,0,0,0,0,0|1,0,1]=4 50 B6R0.4 CCCCC(=O)O LEA [2,0,0,0,0,0|0,0,1]=3 51 B6R0.4 CCCCC(=O)O PEI [2,0,0,0,0,0|0,0,1]=3 52 B6R0.4 CCCOC(=O)C 4PA [2,0,0,0,0,0|1,0,1]=4 53 B6R0.4 CCNCC(=O)O 2JC [2,0,0,0,0,0|1,0,1]=4 54 B8R0.8 C(CC(=O)C(=O)O)C=O DO4 [1,1,0,0,0,0|2,0,0]=4 55 B8R0.28 CC(=CCCC(=O)C)C 0VT [1,1,0,0,0,0|1,0,0]=3 56 B8R0.23 *=C(*)C[C@@H](C(=O)O)N ASX [1,1,0,0,0,0|2,0,0]=4 57 B8R0.23 C(C(=O)C(=O)O)C(=O)[O-] OAA [1,1,0,0,0,0|1,0,1]=4 58 B8R0.23 C(C(=O)N)N(C(=O)O)N ZSN [1,1,0,0,0,0|2,0,0]=4 59 B8R0.23 C(C(=O)O)N(C(=O)O)O HAD [1,1,0,0,0,0|2,0,0]=4 60 B8R0.23 C([C@@H](C(=O)N)N)C(=O)O XSN [1,1,0,0,0,0|1,0,0]=3 61 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N ASN [1,1,0,0,0,0|1,0,0]=3 62 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N ASN_LFOH [1,1,0,0,0,0|1,0,0]=3 63 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O ASP [1,1,0,0,0,0|1,0,0]=3 64 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O ASP_LFOH [1,1,0,0,0,0|1,0,0]=3 65 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O IAS [1,1,0,0,0,0|1,0,0]=3 66 B8R0.23 C([C@@H](C(=O)O)N)C(=O)[O-] ASP_LFOH_DHD2 [1,1,0,0,0,0|1,0,0]=3 67 B8R0.23 C([C@@H](C(=O)O)N)S(=O)O CSW [1,1,0,0,0,0|2,0,0]=4 68 B8R0.23 C([C@@H](C(=O)O)N)[S@@](=O)O CSD [1,1,0,0,0,0|2,0,0]=4 69 B8R0.23 C([C@@H](C(=O)O)N)[SeH](=O)=O SOC [1,1,0,0,0,0|2,0,0]=4 70 B8R0.23 C([C@@H](C(=O)O)N)[Se](=O)O SE7 [1,1,0,0,0,0|2,0,0]=4 71 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O LMR [1,1,0,0,0,0|1,0,0]=3 72 B8R0.23 C([C@@H](C(=O)O)[NH-])C(=O)N ASN_LEO2H [1,1,0,0,0,0|1,0,0]=3 73 B8R0.23 C([C@@H](C(=O)O)[NH-])C(=O)O ASP_LEO2H [1,1,0,0,0,0|1,0,0]=3 74 B8R0.23 C([C@@H](C(=O)O)[NH-])C(=O)[O-] ASP_LEO2H_DHD2 [1,1,0,0,0,0|1,0,0]=3 75 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)O ASI [1,1,0,0,0,0|1,0,0]=3 76 B8R0.23 C([C@@H](C(=O)[O-])[NH-])C(=O)N ASN_LEO2 [1,1,0,0,0,0|1,0,1]=4 77 B8R0.23 C([C@@H](C(=O)[O-])[NH-])C(=O)O ASP_LEO2 [1,1,0,0,0,0|1,0,0]=3 78 B8R0.23 C([C@@H](C(=O)[O-])[NH-])C(=O)[O-] ASP_LEO2_DHD2 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.23 C([C@@H](C(=O)[O-])[NH3+])C(=O)N ASN_LFZW [1,1,0,0,0,0|1,0,1]=4 80 B8R0.23 C([C@@H](C(=O)[O-])[NH3+])C(=O)O ASP_LFZW [1,1,0,0,0,0|1,0,0]=3 81 B8R0.23 C([C@@H](C(=O)[O-])[NH3+])C(=O)[O-] ASP_LFZW_DHD2 [1,1,0,0,0,0|1,0,1]=4 82 B8R0.23 C([C@H](C(=O)O)N)C(=O)N DSG [1,1,0,0,0,0|1,0,0]=3 83 B8R0.23 C([C@H](C(=O)O)N)C(=O)O DAS [1,1,0,0,0,0|1,0,0]=3 84 B8R0.23 C([C@H](C(=O)O)N)C(=O)O DSP [1,1,0,0,0,0|1,0,0]=3 85 B8R0.23 C([C@H](C(=O)O)O)C(=O)O DMR [1,1,0,0,0,0|1,0,0]=3 86 B8R0.23 C([C@H](C(=O)O)O)C(=O)O MLT [1,1,0,0,0,0|1,0,0]=3 87 B8R0.23 C=C(CC(=O)O)C(=O)O ITN [1,1,0,0,0,0|1,0,1]=4 88 B8R0.23 C=C(C[C@@H](C(=O)O)N)Br A8E [1,1,0,0,0,0|1,0,1]=4 89 B8R0.23 CC(=O)[C@H](CC(=O)O)N ASK [1,1,0,0,0,0|0,0,0]=2 90 B8R0.23 CC(C)CC(C(=O)O)Cl HRI [1,1,0,0,0,0|1,0,1]=4 91 B8R0.23 CC(C)C[C@@H](C(=O)C)N LEM [1,1,0,0,0,0|1,0,1]=4 92 B8R0.23 CC(C)C[C@@H](C(=O)O)Cl 03H [1,1,0,0,0,0|1,0,1]=4 93 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU [1,1,0,0,0,0|1,0,1]=4 94 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU_LFOH [1,1,0,0,0,0|1,0,1]=4 95 B8R0.23 CC(C)C[C@@H](C(=O)O)O 1LU [1,1,0,0,0,0|1,0,1]=4 96 B8R0.23 CC(C)C[C@@H](C(=O)O)O OLE [1,1,0,0,0,0|1,0,1]=4 97 B8R0.23 CC(C)C[C@@H](C(=O)O)[NH-] LEU_LEO2H [1,1,0,0,0,0|1,0,1]=4 98 B8R0.23 CC(C)C[C@H](C(=O)O)N DLE [1,1,0,0,0,0|1,0,1]=4 99 B8R0.23 CC(C)C[C@H](C(=O)O)O 2RH [1,1,0,0,0,0|1,0,1]=4 100 B8R0.23 CC(C)[C@@H](CC(=O)O)N 1VR [1,1,0,0,0,0|1,0,1]=4 101 B8R0.23 CC(CC(=O)O)C(=O)O JO3 [1,1,0,0,0,0|1,0,0]=3 102 B8R0.23 CN(CC(=O)O)C(=O)N CMS [1,1,0,0,0,0|2,0,0]=4 103 B8R0.23 C[C@@H](C(=O)O)NC(=O)C AYA [1,1,0,0,0,0|1,0,0]=3 104 B8R0.23 C[C@@H](C(=O)O)NC(=O)O NXA [1,1,0,0,0,0|2,0,0]=4 105 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SUH [1,1,0,0,0,0|1,0,0]=3 106 B8R0.23 C[C@@H](CC(C)C)C(=O)O 7GA [1,1,0,0,0,0|1,0,1]=4 107 B8R0.23 C[C@H](C(=O)O)NC(=O)N NCB [1,1,0,0,0,0|2,0,0]=4 108 B8R0.23 C[C@H]([C@@H](CC(=O)O)N)O B3T [1,1,0,0,0,0|0,0,2]=4 109 B8R0.23 N=C(\C[C@@H](C(=O)O)N)/O 41Q [1,1,0,0,0,0|1,0,1]=4 110 B8R0.23 [C@H](C(=O)O)(N)NC(=O)N UGY [1,1,0,0,0,0|2,0,0]=4 111 B8R0.23 [C@H](C(=O)O)(NC(=O)N)O UGC [1,1,0,0,0,0|2,0,0]=4 112 B8R0.29 C(CP(=O)(O)O)C(=O)O 3PP [1,1,0,0,0,0|2,0,0]=4 113 B8R0.29 C(CS(=O)(=O)O)C(=O)O X1S [1,1,0,0,0,0|2,0,0]=4 114 B8R0.2 CC(C)[C@@H](C(=O)OC)N 0AA [0,1,0,0,1,0|1,0,1]=4 115 B8R0.2 CC(C)[C@@H](C(=O)OC)N VME [0,1,0,0,1,0|1,0,1]=4 116 B10R0.82 CCC(=O)NC[C@@H](C(=O)O)N 23P [0,1,0,0,0,1|2,0,0]=4 117 B10R0.82 CCC(=O)OC[C@@H](C(=O)O)N 42Y [0,1,0,0,0,1|2,0,0]=4 118 B10R0.82 CCC(=O)SC[C@@H](C(=O)O)N 6KM [0,1,0,0,0,1|2,0,0]=4 119 B10R0.82 CNC(=O)CC[C@@H](C(=O)O)N MEQ [0,1,0,0,0,1|2,0,0]=4 120 B10R0.82 COC(=O)CC[C@@H](C(=O)O)N GME [0,1,0,0,0,1|1,0,0]=3 121 B10R0.93 CN(C)C(=O)C[C@@H](C(=O)O)N DMH [0,2,0,0,0,0|2,0,0]=4 122 B10R0.32 CCOC(=O)[C@@H](CC(=O)O)O 0A6 [0,2,0,0,0,0|1,0,0]=3 123 B10R0.56 CNC(=O)[C@@H]([C@H](C(=O)O)N)O HTN [0,2,0,0,0,0|2,0,0]=4 124 B10R0.26 C([C@@H](C(=O)O)N)C(=O)OC=O A0A [0,2,0,0,0,0|1,0,1]=4 125 B10R0.96 CC(=O)CC(=O)CCC(=O)O SHU [0,2,0,0,0,0|2,0,0]=4 126 B10R0.96 CN(C)NC(=O)CCC(=O)O DZA [0,2,0,0,0,0|2,0,0]=4 127 B8R1.1 C1CC(=O)N[C@@H]1C=O CGN [1,0,0,1,0,0|2,0,0]=4 128 B8R1.22 C1CCC(=O)NCC1 ICC [1,0,0,1,0,0|1,0,1]=4 129 B8R1.22 C1CCC(=O)OCC1 ECE [1,0,0,1,0,0|0,0,1]=3 130 B8R1.50 CN1C(=O)CCC1=O LCY [1,0,0,1,0,0|1,0,0]=3 131 B10R1.58 C[C@H]1C(=O)C[C@H](N1)C(=O)O POM [0,1,0,1,0,0|2,0,0]=4 132 B10R1.113 C1CN[C@@H](CC1=O)C(=O)O MHV [0,1,0,1,0,0|2,0,0]=4 133 B10R1.113 C1C[C@H](CC(=O)C1)C(=O)O 3OC [0,1,0,1,0,0|2,0,0]=4 134 B10R1.113 CC(=O)N1CCNC(=O)C1 PW3 [0,1,0,1,0,0|2,0,0]=4 135 B10R1.59 C[C@@H]1[C@H](NC(=O)O1)C(=O)O OZT [0,1,0,1,0,0|2,0,0]=4 136 B6R0.2 C(C(=O)N)C(=O)O MLM [1,0,0,0,1,0|1,0,0]=3 137 B6R0.2 C(C(=O)O)C(=O)Cl PR6 [1,0,0,0,1,0|1,0,0]=3 138 B6R0.2 C(C(=O)O)C(=O)O MLA [1,0,0,0,1,0|1,0,0]=3 139 B6R0.2 C(C(=O)[O-])C(=O)[O-] MLI [1,0,0,0,1,0|1,0,1]=4 140 B6R0.2 CC(=O)CC(=O)C P2D [1,0,0,0,1,0|0,0,0]=2 141 B6R0.2 CC(=O)CC(=O)O AAE [1,0,0,0,1,0|0,0,0]=2 142 B6R0.2 CC(=O)CC(=O)O LIN [1,0,0,0,1,0|0,0,0]=2 143 B6R0.2 CC(C)CC(=O)O IVA [1,0,0,0,1,0|1,0,1]=4 144 B6R0.2 CN(C)CC(=O)O DMG [1,0,0,0,1,0|2,0,0]=4 145 B6R0.2 CS(C)CC(=O)O 313 [1,0,0,0,1,0|2,0,0]=4 146 B6R0.2 C[C@@H](CC(=O)O)N B3A [1,0,0,0,1,0|1,0,1]=4 147 B6R0.2 C[C@@H](CC(=O)O)O 3HL [1,0,0,0,1,0|0,0,2]=4 148 B6R0.2 C[C@H](CC(=O)O)O 3HR [1,0,0,0,1,0|0,0,2]=4 149 B6R0.3 CCC(=O)C(=O)O 2KT [0,0,0,0,2,0|2,0,0]=4 150 B6R0.3 C[C@@H](C(=O)OC)N MA [0,0,0,0,2,0|1,0,1]=4