0 B7R0.9 C(C(=O)O)P(=O)(O)O PAE [0,0,0,0,0,0|3,1,0]=4 1 B7R0.9 C(C(=O)O)P(=S)(O)O TSE [0,0,0,0,0,0|3,1,0]=4 2 B7R0.9 C(C(=O)O)S(=O)(=O)O SAT [0,0,0,0,0,0|4,0,0]=4 3 B7R0.9 CC(C)(C)CC(=O)O DTG [0,0,0,0,0,0|1,0,0]=1 4 B7R0.9 CC(C)(C)NC(=O)O TBB [0,0,0,0,0,0|2,0,0]=2 5 B7R0.9 CC(C)(C)OC(=O)O BOC [0,0,0,0,0,0|2,0,0]=2 6 B7R0.9 CC(C)(C)OC(=O)O OTB [0,0,0,0,0,0|2,0,0]=2 7 B7R0.9 C[C@@H](CC(C)(C)O)O MPD [0,0,0,0,0,0|3,0,1]=4 8 B7R0.9 C[C@H](CC(C)(C)O)O MRD [0,0,0,0,0,0|3,0,1]=4 9 B7R0.9 C[N+](C)(C)CC(=O)O BET [0,0,0,0,0,0|0,0,0]=0 10 B6R0.2 C(C(=O)N)C(=O)O MLM [1,0,0,0,0,0|3,0,0]=4 11 B6R0.2 C(C(=O)O)C(=O)Cl PR6 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.2 C(C(=O)O)C(=O)O MLA [1,0,0,0,0,0|3,0,0]=4 13 B6R0.2 CC(=O)CC(=O)C P2D [1,0,0,0,0,0|3,0,0]=4 14 B6R0.2 CC(=O)CC(=O)O AAE [1,0,0,0,0,0|2,0,0]=3 15 B6R0.2 CC(=O)CC(=O)O LIN [1,0,0,0,0,0|2,0,0]=3 16 B6R0.2 CC(C)CC(=O)O IVA [1,0,0,0,0,0|1,0,0]=2 17 B6R0.2 CN(C)CC(=O)O DMG [1,0,0,0,0,0|0,0,1]=2 18 B6R0.2 CS(C)CC(=O)O 313 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.2 C[C@@H](CC(=O)O)N B3A [1,0,0,0,0,0|2,0,0]=3 20 B6R0.2 C[C@@H](CC(=O)O)O 3HL [1,0,0,0,0,0|2,0,0]=3 21 B6R0.2 C[C@H](CC(=O)O)O 3HR [1,0,0,0,0,0|2,0,0]=3 22 B6R0.5 CC(C)(C)CCN 2G3 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.5 CC(C)(C)CCO 33D [1,0,0,0,0,0|1,0,1]=3 24 B6R0.5 CC(C)(C)OC=O TBF [1,0,0,0,0,0|2,0,0]=3 25 B6R0.5 C[As](C)(C)CCO 1Y8 [1,0,0,0,0,0|0,1,1]=3 26 B6R0.5 C[N+](C)(C)CC=O BTL [1,0,0,0,0,0|0,0,0]=1 27 B6R0.5 C[N+](C)(C)CCO CHT [1,0,0,0,0,0|0,0,1]=2 28 B6R0.5 C[N+](C)(C)CCS ETM [1,0,0,0,0,0|0,1,1]=3 29 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N BUG [0,1,0,0,0,0|1,0,0]=2 30 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N HV5 [0,1,0,0,0,0|1,0,0]=2 31 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N TBG [0,1,0,0,0,0|1,0,0]=2 32 B8R0.27 CC(C)(C)[C@H](C(=O)O)N TDD [0,1,0,0,0,0|1,0,0]=2 33 B8R0.27 CC(C)([C@@H](C(=O)O)N)O HVA [0,1,0,0,0,0|2,0,0]=3 34 B8R0.27 CC(C)([C@@H](C(=O)O)N)S LE1 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.27 CC(C)([C@@H](C(=O)O)O)O 89V [0,1,0,0,0,0|2,0,0]=3 36 B8R0.27 CC(C)([C@H](C(=O)O)N)O DHV [0,1,0,0,0,0|2,0,0]=3 37 B8R0.27 CC(C)([C@H](C(=O)O)N)S LEI [0,1,0,0,0,0|2,0,0]=3 38 B6R0.7 CC(C)(C(=O)O)Br B2P [0,0,0,0,1,0|2,0,0]=3 39 B6R0.7 CC(C)(C(=O)O)N AIB [0,0,0,0,1,0|2,0,0]=3 40 B6R0.7 CC(C)(C)C(=O)N TAY [0,0,0,0,1,0|2,0,0]=3 41 B6R0.7 CC(C)(C)C(=O)O PIV [0,0,0,0,1,0|1,0,0]=2 42 B5R0.1 C(C(=O)O)ON AOA [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 C(CN)C(=O)O BAL [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 C(CO)C(=O)O 3OH [2,0,0,0,0,0|2,0,0]=4 45 B5R0.1 C(CS)C(=O)O MPT [2,0,0,0,0,0|2,0,0]=4 46 B5R0.1 C(C[SeH])C(=O)O SLP [2,0,0,0,0,0|2,0,0]=4 47 B5R0.1 CC(C)CCO IP3 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.1 CC=CC(=O)O BEO [2,0,0,0,0,0|1,0,1]=4 49 B5R0.1 CCCC(=O)C PNH [2,0,0,0,0,0|2,0,0]=4 50 B5R0.1 CCCC(=O)N BMD [2,0,0,0,0,0|2,0,0]=4 51 B5R0.1 CCCC(=O)O BUA [2,0,0,0,0,0|1,0,0]=3 52 B5R0.1 CCOC(=O)O 01F [2,0,0,0,0,0|2,0,0]=4 53 B5R0.1 CNCC(=O)O MGY [2,0,0,0,0,0|0,0,1]=3 54 B5R0.1 CNCC(=O)O SAR [2,0,0,0,0,0|0,0,1]=3 55 B5R0.1 CSCC(=O)[O-] MTG [2,0,0,0,0,0|1,0,1]=4 56 B5R0.1 C[C@H](CC=O)O 5KO [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 C[Se]CC(=O)[O-] MSF [2,0,0,0,0,0|1,0,1]=4 58 B5R0.1 C[Te]CC(=O)[O-] MTD [2,0,0,0,0,0|1,0,1]=4 59 B5R0.4 CC(C)(C)CN NPT [2,0,0,0,0,0|2,0,0]=4 60 B5R0.4 CC[Si](C)(C)C CEQ [2,0,0,0,0,0|1,0,1]=4 61 B7R0.2 C([C@@H](CO)N)C(=O)O ASJ [1,1,0,0,0,0|2,0,0]=4 62 B7R0.2 C([C@H](CO)N)C(=O)O B3S [1,1,0,0,0,0|2,0,0]=4 63 B7R0.2 C([C@H](CS)N)C(=O)O BCX [1,1,0,0,0,0|2,0,0]=4 64 B7R0.16 CC(=O)[C@@H](C(=O)O)N AKB [1,1,0,0,0,0|2,0,0]=4 65 B7R0.16 CC(C)C(=O)C(=O)O KIV [1,1,0,0,0,0|1,0,1]=4 66 B7R0.16 CC(C)[C@@H](C(=O)C)N VAF [1,1,0,0,0,0|2,0,0]=4 67 B7R0.16 CC(C)[C@@H](C(=O)N)N VLM [1,1,0,0,0,0|2,0,0]=4 68 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL [1,1,0,0,0,0|1,0,0]=3 69 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL_LFOH [1,1,0,0,0,0|1,0,0]=3 70 B7R0.16 CC(C)[C@@H](C(=O)O)O LHV [1,1,0,0,0,0|1,0,0]=3 71 B7R0.16 CC(C)[C@@H](C(=O)O)[NH-] VAL_LEO2H [1,1,0,0,0,0|1,0,0]=3 72 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH-] VAL_LEO2 [1,1,0,0,0,0|1,0,1]=4 73 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH3+] VAL_LFZW [1,1,0,0,0,0|1,0,1]=4 74 B7R0.16 CC(C)[C@H](C(=O)O)N DVA [1,1,0,0,0,0|1,0,0]=3 75 B7R0.16 CC(C)[C@H](C(=O)O)O VAD [1,1,0,0,0,0|1,0,0]=3 76 B7R0.16 C[C@@H](C(=O)O)N(C)C LAL [1,1,0,0,0,0|0,0,1]=3 77 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O ALO [1,1,0,0,0,0|2,0,0]=4 78 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O DTH [1,1,0,0,0,0|2,0,0]=4 79 B7R0.16 C[C@H]([C@@H](C(=O)O)N)N VLL [1,1,0,0,0,0|2,0,0]=4 80 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR [1,1,0,0,0,0|2,0,0]=4 81 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR_LFOH [1,1,0,0,0,0|2,0,0]=4 82 B7R0.16 C[C@H]([C@@H](C(=O)O)N)S CG6 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.16 C[C@H]([C@@H](C(=O)O)N)[O-] THR_LFOH_DHG1 [1,1,0,0,0,0|2,0,0]=4 84 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])O THR_LEO2H [1,1,0,0,0,0|2,0,0]=4 85 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])[O-] THR_LEO2H_DHG1 [1,1,0,0,0,0|2,0,0]=4 86 B7R0.16 C[C@H]([C@H](C(=O)O)N)N VDL [1,1,0,0,0,0|2,0,0]=4 87 B7R0.16 C[C@H]([C@H](C(=O)O)N)O 2TL [1,1,0,0,0,0|2,0,0]=4 88 B7R0.13 CC(C)(C(=O)O)NC 3WS [0,1,0,0,1,0|1,0,0]=3 89 B7R0.13 CC[C@](C)(C(=O)O)N DIV [0,1,0,0,1,0|2,0,0]=4 90 B7R0.13 C[C@](CO)(C(=O)O)O 8A1 [0,1,0,0,1,0|2,0,0]=4 91 B7R0.13 C[C@](CS)(C(=O)O)N 03Y [0,1,0,0,1,0|2,0,0]=4 92 B7R0.17 CC(C)(C)S(=O)(=O)O TSM [0,1,0,0,1,0|2,0,0]=4 93 B9R0.57 CC(C)(C)C[C@@H](C(=O)O)N 0JY [0,1,0,0,0,1|1,0,0]=3 94 B9R0.25 CC(C)(C)[C@@H](C(=O)NC)N BUM [0,2,0,0,0,0|2,0,0]=4 95 B9R0.32 CC(C)(CO)C(=O)C(=O)O KPL [0,2,0,0,0,0|1,0,1]=4 96 B9R0.32 CC(C)(CO)[C@H](C(=O)[O-])O PAF [0,2,0,0,0,0|1,0,1]=4 97 B9R0.32 CCC(C)(C)[C@@H](C(=O)O)N I2M [0,2,0,0,0,0|1,0,0]=3 98 B9R0.32 CC[C@](C)([C@@H](C(=O)O)N)O 0E5 [0,2,0,0,0,0|2,0,0]=4 99 B9R0.32 CC[C@](C)([C@H](C(=O)O)O)O DMV [0,2,0,0,0,0|2,0,0]=4 100 B9R0.72 CC[C@@H](C(=O)N)[N+](C)(C)C 6EM [0,2,0,0,0,0|1,0,0]=3 101 B9R0.11 CC(C)(CC(=O)O)C(=O)O WOC [0,2,0,0,0,0|1,0,1]=4 102 B9R0.58 C[C@@](CCS)(CC(=O)O)O 1CO [0,2,0,0,0,0|2,0,0]=4 103 B7R1.12 C[C@H]1[C@H](N1)C(=O)O 3K4 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.19 C1CC1(C(=O)O)N 1AC [0,0,0,1,1,0|2,0,0]=4 105 B5R0.5 CC(=O)C(=O)O PYR [1,0,0,0,1,0|2,0,0]=4 106 B5R0.5 CC(=O)N(C)C 5Y9 [1,0,0,0,1,0|1,0,1]=4 107 B5R0.5 CC(C)C(=O)N IBO [1,0,0,0,1,0|2,0,0]=4 108 B5R0.5 CC(C)C(=O)O ALQ [1,0,0,0,1,0|1,0,0]=3 109 B5R0.5 CC(C)C(=O)O ISB [1,0,0,0,1,0|1,0,0]=3 110 B5R0.5 C[C@@H](C(=O)O)Cl CNR [1,0,0,0,1,0|2,0,0]=4 111 B5R0.5 C[C@@H](C(=O)O)N ALA [1,0,0,0,1,0|2,0,0]=4 112 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [1,0,0,0,1,0|2,0,0]=4 113 B5R0.5 C[C@@H](C(=O)O)O 2OP [1,0,0,0,1,0|2,0,0]=4 114 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [1,0,0,0,1,0|2,0,0]=4 115 B5R0.5 C[C@H](C(=O)O)F 4LT [1,0,0,0,1,0|2,0,0]=4 116 B5R0.5 C[C@H](C(=O)O)N DAL [1,0,0,0,1,0|2,0,0]=4 117 B5R0.5 C[C@H](C(=O)O)O DLA [1,0,0,0,1,0|2,0,0]=4 118 B5R0.5 C[C@H](C(=O)O)O LAC [1,0,0,0,1,0|2,0,0]=4 119 B7R0.6 CC(=O)CCC(=O)O SHF [1,0,0,0,0,1|2,0,0]=4 120 B7R0.6 CC(=O)NCC(=O)O AAC [1,0,0,0,0,1|2,0,0]=4 121 B7R0.6 CC(C)CCC(=O)O 4MV [1,0,0,0,0,1|1,0,0]=3 122 B7R0.6 CC(C)COC(=O)O IBU [1,0,0,0,0,1|1,0,0]=3 123 B7R0.6 CC(C)NCC(=O)O IPG [1,0,0,0,0,1|1,0,0]=3 124 B7R0.6 CS(C)CCC(=O)O DQY [1,0,0,0,0,1|1,0,0]=3 125 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [1,0,0,0,0,1|2,0,0]=4 126 B9R0.56 CC(=O)CCC[N+](C)(C)C CHH [0,0,0,0,0,2|1,0,0]=3 127 B9R0.56 CC(=O)CCC[N+](C)(C)C NWB [0,0,0,0,0,2|1,0,0]=3 128 B9R0.56 CC(=O)OCC[N+](C)(C)C ACH [0,0,0,0,0,2|1,0,0]=3 129 B9R0.56 CC(=O)SCC[N+](C)(C)C AT3 [0,0,0,0,0,2|1,0,0]=3 130 B9R0.56 C[C@H](CCC[N+](C)(C)C)O CCD [0,0,0,0,0,2|1,0,1]=4 131 B9R0.56 C[N+](C)(C)CCCC(=O)O NM2 [0,0,0,0,0,2|0,0,0]=2 132 B9R0.56 C[N+](C)(C)CCCP(=O)O RTK [0,0,0,0,0,2|1,0,0]=3 133 B9R0.56 C[N+](C)(C)CCOC(=O)N CCE [0,0,0,0,0,2|1,0,0]=3 134 B9R0.56 C[N+](C)(C)NCCC(=O)O REE [0,0,0,0,0,2|0,0,0]=2