0 B7R0.6 CC(=O)CCC(=O)O SHF [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 CC(=O)NCC(=O)O AAC [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 CC(C)CCC(=O)O 4MV [0,0,0,0,0,0|2,0,0]=2 3 B7R0.6 CC(C)COC(=O)O IBU [0,0,0,0,0,0|1,0,0]=1 4 B7R0.6 CC(C)NCC(=O)O IPG [0,0,0,0,0,0|3,0,0]=3 5 B7R0.6 CS(C)CCC(=O)O DQY [0,0,0,0,0,0|3,0,0]=3 6 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.6 C[C@H](CC[C@@H](C)O)O HX2 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.4 C(CC(=O)O)CBr 0A5 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.4 C(CC(=O)O)CN ABU [1,0,0,0,0,0|3,0,0]=4 10 B6R0.4 CC(C)CCC=O MOP [1,0,0,0,0,0|1,0,0]=2 11 B6R0.4 CCCCC(=O)O LEA [1,0,0,0,0,0|2,0,0]=3 12 B6R0.4 CCCCC(=O)O PEI [1,0,0,0,0,0|2,0,0]=3 13 B6R0.4 CCCOC(=O)C 4PA [1,0,0,0,0,0|0,0,0]=1 14 B6R0.4 CCNCC(=O)O 2JC [1,0,0,0,0,0|3,0,0]=4 15 B8R0.9 C(CC(=O)N)[C@@H](CO)N ECC [0,1,0,0,0,0|3,0,0]=4 16 B8R0.9 C(CC(=O)O)[C@@H](CN)N HOZ [0,1,0,0,0,0|3,0,0]=4 17 B8R0.9 C(CC(=O)O)[C@@H](CO)N GAU [0,1,0,0,0,0|3,0,0]=4 18 B8R0.9 CC(=O)NC[C@@H](CO)N 1HD [0,1,0,0,0,0|2,0,0]=3 19 B8R0.9 CC(=O)OC[C@@H](CO)O JIM [0,1,0,0,0,0|1,0,0]=2 20 B8R0.9 CC[C@H](CCC(=O)O)N VIG [0,1,0,0,0,0|3,0,0]=4 21 B8R0.9 COC(CCC(=O)O)O HMB [0,1,0,0,0,0|3,0,0]=4 22 B8R0.23 CC(C)CC(=O)C(=O)O COI [0,1,0,0,0,0|2,0,0]=3 23 B8R0.23 CC(C)CC(C(=O)O)Cl HRI [0,1,0,0,0,0|2,0,0]=3 24 B8R0.23 CC(C)C[C@@H](C(=O)C)N LEM [0,1,0,0,0,0|1,0,0]=2 25 B8R0.23 CC(C)C[C@@H](C(=O)N)N CLE [0,1,0,0,0,0|2,0,0]=3 26 B8R0.23 CC(C)C[C@@H](C(=O)N)N NLW [0,1,0,0,0,0|2,0,0]=3 27 B8R0.23 CC(C)C[C@@H](C(=O)O)Cl 03H [0,1,0,0,0,0|2,0,0]=3 28 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU [0,1,0,0,0,0|2,0,0]=3 29 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU_LFOH [0,1,0,0,0,0|2,0,0]=3 30 B8R0.23 CC(C)C[C@@H](C(=O)O)O 1LU [0,1,0,0,0,0|2,0,0]=3 31 B8R0.23 CC(C)C[C@@H](C(=O)O)O OLE [0,1,0,0,0,0|2,0,0]=3 32 B8R0.23 CC(C)C[C@@H](C(=O)O)[NH-] LEU_LEO2H [0,1,0,0,0,0|2,0,0]=3 33 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH-] LEU_LEO2 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH3+] LEU_LFZW [0,1,0,0,0,0|2,0,0]=3 35 B8R0.23 CC(C)C[C@H](C(=O)O)N DLE [0,1,0,0,0,0|2,0,0]=3 36 B8R0.23 CC(C)C[C@H](C(=O)O)O 2RH [0,1,0,0,0,0|2,0,0]=3 37 B8R0.23 CC(C)NC(=O)C(=O)O 40E [0,1,0,0,0,0|3,0,0]=4 38 B8R0.23 CC(C)[C@@H](CC(=O)O)N 1VR [0,1,0,0,0,0|2,0,0]=3 39 B8R0.23 C[C@@H](CC(C)C)C(=O)O 7GA [0,1,0,0,0,0|2,0,0]=3 40 B8R0.23 C[C@H]([C@@H](CC(=O)O)N)O B3T [0,1,0,0,0,0|3,0,0]=4 41 B8R0.29 CC(C)CCP(=O)(O)O IPI [0,1,0,0,0,0|3,0,0]=4 42 B8R0.29 CC(C)CO[P@@](=O)(C)O VR [0,1,0,0,0,0|1,0,0]=2 43 B8R1.3 CC1CCC(CC1)N 2MH [0,0,0,1,0,0|2,0,1]=4 44 B8R1.3 CC1CCC(CC1)N 4JU [0,0,0,1,0,0|2,0,1]=4 45 B6R0.2 CC(=O)CC(=O)C P2D [0,0,0,0,1,0|1,0,1]=3 46 B6R0.2 CC(=O)CC(=O)O AAE [0,0,0,0,1,0|2,0,1]=4 47 B6R0.2 CC(=O)CC(=O)O LIN [0,0,0,0,1,0|2,0,1]=4 48 B6R0.2 CC(C)CC(=O)O IVA [0,0,0,0,1,0|1,0,0]=2 49 B6R0.2 CC(C)C[C@@H](C)N 2LU [0,0,0,0,1,0|1,0,1]=3 50 B6R0.2 CC(C)SC(=N)N IPU [0,0,0,0,1,0|2,1,0]=4 51 B6R0.2 CN(C)CC(=O)O DMG [0,0,0,0,1,0|2,0,0]=3 52 B6R0.2 CS(C)CC(=O)O 313 [0,0,0,0,1,0|2,0,0]=3 53 B6R0.2 C[C@@H](CC(=O)O)N B3A [0,0,0,0,1,0|2,0,0]=3 54 B6R0.2 C[C@@H](CC(=O)O)O 3HL [0,0,0,0,1,0|2,0,0]=3 55 B6R0.2 C[C@H](CC(=O)O)O 3HR [0,0,0,0,1,0|2,0,0]=3 56 B8R0.28 CC(=CCCC(=O)C)C 0VT [0,0,0,0,0,1|1,0,1]=3 57 B8R0.28 CC(C)CNCC(=O)O I4G [0,0,0,0,0,1|2,0,0]=3 58 B5R0.1 C(CN)C(=O)O BAL [2,0,0,0,0,0|2,0,0]=4 59 B5R0.1 C(CO)C(=O)O 3OH [2,0,0,0,0,0|2,0,0]=4 60 B5R0.1 C(CS)C(=O)O MPT [2,0,0,0,0,0|2,0,0]=4 61 B5R0.1 C(C[SeH])C(=O)O SLP [2,0,0,0,0,0|2,0,0]=4 62 B5R0.1 CC(=O)CCO BUQ [2,0,0,0,0,0|1,0,0]=3 63 B5R0.1 CC(C)CCN LEN [2,0,0,0,0,0|1,0,1]=4 64 B5R0.1 CC(C)CCO IP3 [2,0,0,0,0,0|0,0,2]=4 65 B5R0.1 CCCC(=O)C PNH [2,0,0,0,0,0|0,0,0]=2 66 B5R0.1 CCCC(=O)N BMD [2,0,0,0,0,0|1,0,0]=3 67 B5R0.1 CCCC(=O)O BUA [2,0,0,0,0,0|1,0,0]=3 68 B5R0.1 CCC[N+](=O)[O-] N1P [2,0,0,0,0,0|2,0,0]=4 69 B5R0.1 CCOC(=O)C EEE [2,0,0,0,0,0|0,0,0]=2 70 B5R0.1 CCOC(=O)O 01F [2,0,0,0,0,0|1,0,0]=3 71 B5R0.1 CCO[P@H](=O)O ATJ [2,0,0,0,0,0|2,0,0]=4 72 B5R0.1 CNCC(=O)O MGY [2,0,0,0,0,0|2,0,0]=4 73 B5R0.1 CNCC(=O)O SAR [2,0,0,0,0,0|2,0,0]=4 74 B5R0.1 CSCC(=O)[O-] MTG [2,0,0,0,0,0|2,0,0]=4 75 B5R0.1 CSC[S@@](=O)C DSS [2,0,0,0,0,0|2,0,0]=4 76 B5R0.1 C[C@H](CC=O)O 5KO [2,0,0,0,0,0|1,0,0]=3 77 B5R0.1 C[Se]CC(=O)[O-] MSF [2,0,0,0,0,0|2,0,0]=4 78 B5R0.1 C[Te]CC(=O)[O-] MTD [2,0,0,0,0,0|2,0,0]=4 79 B5R0.2 C(CCl)NC=O CEC [2,0,0,0,0,0|2,0,0]=4 80 B5R0.2 CCCCC=O PTL [2,0,0,0,0,0|1,0,0]=3 81 B5R0.2 CCCCCC HEX [2,0,0,0,0,0|1,0,1]=4 82 B5R0.2 CCOCCO ETX [2,0,0,0,0,0|1,0,1]=4 83 B7R0.2 CC(C)C[C@@H](C=O)N LCZ [1,1,0,0,0,0|1,0,0]=3 84 B7R0.2 CC(C)C[C@@H]([C-]=O)[NH-] LEU_LL [1,1,0,0,0,0|1,0,1]=4 85 B7R0.2 CC(C)C[C@@H]([C-]=O)[NH3+] LEU_LSN3 [1,1,0,0,0,0|1,0,1]=4 86 B7R0.3 COC(=O)CCCN GVE [1,1,0,0,0,0|2,0,0]=4 87 B7R0.4 C(CCO)CC(=O)O SHO [1,1,0,0,0,0|2,0,0]=4 88 B7R0.4 C(CC[NH3+])CC(=O)O DAV [1,1,0,0,0,0|2,0,0]=4 89 B7R0.4 C(COCC(=O)O)O VKC [1,1,0,0,0,0|2,0,0]=4 90 B7R0.4 C(C[O-])CO[P+](=O)[O-] P1P [1,1,0,0,0,0|2,0,0]=4 91 B7R0.4 CCCCCC(=O)C HTX [1,1,0,0,0,0|1,0,0]=3 92 B7R0.4 CCCCCC(=O)O 6NA [1,1,0,0,0,0|2,0,0]=4 93 B7R0.4 CCCCOC(=O)C 8JZ [1,1,0,0,0,0|0,0,0]=2 94 B7R0.5 CCCC(=O)C(=O)O 69O [1,1,0,0,0,0|2,0,0]=4 95 B7R0.5 CCC[C@@H](C(=O)O)N 2PI [1,1,0,0,0,0|2,0,0]=4 96 B7R0.5 CCC[C@@H](C(=O)O)N BTA [1,1,0,0,0,0|2,0,0]=4 97 B7R0.5 CCC[C@@H](C(=O)O)N NVA [1,1,0,0,0,0|2,0,0]=4 98 B7R0.5 CCC[C@@H](C(=O)O)N RON [1,1,0,0,0,0|2,0,0]=4 99 B7R0.9 CC(C)(C)CC(=O)O DTG [0,1,0,0,1,0|1,0,0]=3 100 B7R0.9 CC(C)(C)NC(=O)O TBB [0,1,0,0,1,0|2,0,0]=4 101 B7R0.9 CC(C)(C)OC(=O)O BOC [0,1,0,0,1,0|1,0,0]=3 102 B7R0.9 CC(C)(C)OC(=O)O OTB [0,1,0,0,1,0|1,0,0]=3 103 B7R0.9 CC(C)OP(=O)(O)O ISP [0,1,0,0,1,0|2,0,0]=4 104 B7R0.9 CC(C)OP(=O)(O)O MIP [0,1,0,0,1,0|2,0,0]=4 105 B7R0.9 C[C@@H](CC(C)(C)O)O MPD [0,1,0,0,1,0|0,0,2]=4 106 B7R0.9 C[C@H](CC(C)(C)O)O MRD [0,1,0,0,1,0|0,0,2]=4 107 B7R0.9 C[N+](C)(C)CC(=O)O BET [0,1,0,0,1,0|2,0,0]=4 108 B7R0.16 CC(C)C(=O)C(=O)O KIV [0,1,0,0,1,0|1,0,1]=4 109 B7R0.16 CC(C)[C@@H](C(=O)C)N VAF [0,1,0,0,1,0|0,0,0]=2 110 B7R0.16 CC(C)[C@@H](C(=O)N)N VLM [0,1,0,0,1,0|1,0,0]=3 111 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL [0,1,0,0,1,0|1,0,0]=3 112 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL_LFOH [0,1,0,0,1,0|1,0,0]=3 113 B7R0.16 CC(C)[C@@H](C(=O)O)O LHV [0,1,0,0,1,0|1,0,0]=3 114 B7R0.16 CC(C)[C@@H](C(=O)O)[NH-] VAL_LEO2H [0,1,0,0,1,0|1,0,0]=3 115 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH-] VAL_LEO2 [0,1,0,0,1,0|1,0,0]=3 116 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH3+] VAL_LFZW [0,1,0,0,1,0|1,0,0]=3 117 B7R0.16 CC(C)[C@H](C(=O)O)N DVA [0,1,0,0,1,0|1,0,0]=3 118 B7R0.16 CC(C)[C@H](C(=O)O)O VAD [0,1,0,0,1,0|1,0,0]=3 119 B7R0.16 C[C@@H](C(=O)O)N(C)C LAL [0,1,0,0,1,0|2,0,0]=4 120 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O ALO [0,1,0,0,1,0|2,0,0]=4 121 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O DTH [0,1,0,0,1,0|2,0,0]=4 122 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O 9AT [0,1,0,0,1,0|2,0,0]=4 123 B7R0.16 C[C@H]([C@@H](C(=O)O)N)N VLL [0,1,0,0,1,0|2,0,0]=4 124 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR [0,1,0,0,1,0|2,0,0]=4 125 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR_LFOH [0,1,0,0,1,0|2,0,0]=4 126 B7R0.16 C[C@H]([C@@H](C(=O)O)N)S CG6 [0,1,0,0,1,0|2,0,0]=4 127 B7R0.16 C[C@H]([C@@H](C(=O)O)N)[O-] THR_LFOH_DHG1 [0,1,0,0,1,0|2,0,0]=4 128 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])O THR_LEO2H [0,1,0,0,1,0|2,0,0]=4 129 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])[O-] THR_LEO2H_DHG1 [0,1,0,0,1,0|2,0,0]=4 130 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH-])O THR_LEO2 [0,1,0,0,1,0|2,0,0]=4 131 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH-])[O-] THR_LEO2_DHG1 [0,1,0,0,1,0|2,0,0]=4 132 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])O THR_LFZW [0,1,0,0,1,0|2,0,0]=4 133 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])[O-] THR_LFZW_DHG1 [0,1,0,0,1,0|2,0,0]=4 134 B7R0.16 C[C@H]([C@H](C(=O)O)N)N VDL [0,1,0,0,1,0|2,0,0]=4 135 B7R0.16 C[C@H]([C@H](C(=O)O)N)O 2TL [0,1,0,0,1,0|2,0,0]=4 136 B9R0.1 CC[C@H](C)C\C=C\C(=O)O 39Y [0,1,0,0,0,1|2,0,0]=4 137 B9R0.7 CC(C)CC[C@@H](C(=O)O)N HLX [0,1,0,0,0,1|2,0,0]=4 138 B9R0.7 CC(C)[C@@H](CCC(=O)O)N 0JT [0,1,0,0,0,1|2,0,0]=4 139 B9R0.53 CC(C)C[C@@H](CC(=O)O)N B3L [0,1,0,0,0,1|2,0,0]=4 140 B9R0.56 CC(=O)CCC[N+](C)(C)C CHH [0,1,0,0,0,1|2,0,0]=4 141 B9R0.56 CC(=O)CCC[N+](C)(C)C NWB [0,1,0,0,0,1|2,0,0]=4 142 B9R0.56 CC(=O)OCC[N+](C)(C)C ACH [0,1,0,0,0,1|1,0,0]=3 143 B9R0.56 CC(=O)SCC[N+](C)(C)C AT3 [0,1,0,0,0,1|1,1,0]=4 144 B9R0.56 C[N+](C)(C)CCOC(=O)N CCE [0,1,0,0,0,1|2,0,0]=4 145 B9R0.21 CCC(=O)CCC(C)(C)O LTL [0,2,0,0,0,0|1,0,0]=3 146 B9R0.23 CC(C)C[C@@H](C(=O)CO)N LEX [0,2,0,0,0,0|1,0,0]=3 147 B9R0.23 CC(C)C[C@@H](C(=O)NC)N LNM [0,2,0,0,0,0|1,0,0]=3 148 B9R0.23 CC(C)C[C@@H](C(=O)NO)N LNO [0,2,0,0,0,0|2,0,0]=4 149 B9R0.23 CC(C)C[C@@H](C(=O)OC)N MLL [0,2,0,0,0,0|1,0,0]=3 150 B9R0.23 CC[C@H](C)[C@@H](CC(=O)O)N BIL [0,2,0,0,0,0|2,0,0]=4 151 B9R0.42 C[C@@H](C[C@@H](C(=O)O)N)CF LEF [0,2,0,0,0,0|2,0,0]=4 152 B9R0.10 C[C@H](C(C)(C)C)O[P@@H](=O)C GD7 [0,2,0,0,0,0|1,0,0]=3 153 B9R0.10 C[C@H](C(C)(C)C)O[P@H](=O)C GD8 [0,2,0,0,0,0|1,0,0]=3 154 B9R0.11 CC(C)C[C@@](C)(C(=O)O)N 2ML [0,2,0,0,0,0|2,0,0]=4 155 B9R0.39 CC(C)C[C@@H](C(=O)O)NC MLE [0,2,0,0,0,0|2,0,0]=4 156 B9R0.39 CC(C)C[C@H](C(=O)O)NC MLU [0,2,0,0,0,0|2,0,0]=4 157 B9R0.39 CC(C)C[C@H](CN)C(=O)O 4L8 [0,2,0,0,0,0|2,0,0]=4 158 B9R0.39 CC(C)C[C@H](CS)C(=O)O SLE [0,2,0,0,0,0|2,0,0]=4 159 B9R0.57 CC(C)(C)C[C@@H](C(=O)O)N 0JY [0,2,0,0,0,0|2,0,0]=4 160 B9R0.79 CC(C)[C@@H]([C@@H](C(=O)O)N)O HLU [0,2,0,0,0,0|2,0,0]=4 161 B9R0.79 CC(C)[C@H]([C@@H](C(=O)O)N)O HL2 [0,2,0,0,0,0|2,0,0]=4 162 B9R0.79 C[C@H]([C@@H](C(C)C)O)C(=O)O 28H [0,2,0,0,0,0|2,0,0]=4 163 B7R1.3 C1CC=CC(=O)C1 A2Q [1,0,0,1,0,0|1,0,1]=4 164 B7R1.3 C1CCC(=O)CC1 CYH [1,0,0,1,0,0|1,0,0]=3 165 B7R1.3 C1CCNC(=N)C1 2IM [1,0,0,1,0,0|2,0,0]=4 166 B7R1.3 C1C[C@H](CN=C1)N XBB [1,0,0,1,0,0|2,0,0]=4 167 B9R1.35 C[C@@H]1C[C@H](NC1)C(=O)O MP8 [0,0,0,1,0,1|2,0,0]=4 168 B9R1.85 C1CC1CNCC(=O)O NMC [0,0,0,1,0,1|2,0,0]=4 169 B9R1.138 CC1(CCC(=O)N1C)C IP4 [0,1,0,1,0,0|1,0,0]=3 170 B5R0.5 CC(=O)N(C)C 5Y9 [0,0,0,0,2,0|1,0,0]=3 171 B5R0.5 CC(C)C(=O)N IBO [0,0,0,0,2,0|1,0,0]=3 172 B5R0.5 CC(C)C(=O)O ALQ [0,0,0,0,2,0|1,0,0]=3 173 B5R0.5 CC(C)C(=O)O ISB [0,0,0,0,2,0|1,0,0]=3 174 B5R0.5 CC(C)[C@@H](C)N CDE [0,0,0,0,2,0|1,0,1]=4 175 B5R0.5 CC(C)[N+](=O)[O-] NIS [0,0,0,0,2,0|2,0,0]=4 176 B5R0.5 C[C@@H](C(=O)C)N ALM [0,0,0,0,2,0|1,0,0]=3 177 B5R0.5 C[C@@H](C(=O)C)O HBS [0,0,0,0,2,0|1,0,0]=3 178 B5R0.5 C[C@@H](C(=O)N)N 66N [0,0,0,0,2,0|2,0,0]=4 179 B5R0.5 C[C@@H](C(=O)O)Cl CNR [0,0,0,0,2,0|2,0,0]=4 180 B5R0.5 C[C@@H](C(=O)O)N ALA [0,0,0,0,2,0|2,0,0]=4 181 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [0,0,0,0,2,0|2,0,0]=4 182 B5R0.5 C[C@@H](C(=O)O)O 2OP [0,0,0,0,2,0|2,0,0]=4 183 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [0,0,0,0,2,0|2,0,0]=4 184 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [0,0,0,0,2,0|2,0,0]=4 185 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [0,0,0,0,2,0|2,0,0]=4 186 B5R0.5 C[C@H](C(=O)C)O HBR [0,0,0,0,2,0|1,0,0]=3 187 B5R0.5 C[C@H](C(=O)O)F 4LT [0,0,0,0,2,0|2,0,0]=4 188 B5R0.5 C[C@H](C(=O)O)N DAL [0,0,0,0,2,0|2,0,0]=4 189 B5R0.5 C[C@H](C(=O)O)O DLA [0,0,0,0,2,0|2,0,0]=4 190 B5R0.5 C[C@H](C(=O)O)O LAC [0,0,0,0,2,0|2,0,0]=4 191 B9R0.55 CC(C)CCCCC(=O)O 6F5 [0,0,0,0,0,2|2,0,0]=4