0 B6R0.2 CC(=O)CC(=O)C P2D [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(=O)CC(=O)O AAE [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 CC(=O)CC(=O)O LIN [0,0,0,0,0,0|3,0,1]=4 3 B6R0.2 CC(C)CC(=O)O IVA [0,0,0,0,0,0|2,0,0]=2 4 B6R0.2 CC(C)C[C@@H](C)N 2LU [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 CC(C)SC(=N)N IPU [0,0,0,0,0,0|2,1,0]=3 6 B6R0.2 CN(C)CC(=O)O DMG [0,0,0,0,0,0|3,0,0]=3 7 B6R0.2 CS(C)CC(=O)O 313 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.2 C[C@@H](CC(=O)O)N B3A [0,0,0,0,0,0|3,0,0]=3 9 B6R0.2 C[C@@H](CC(=O)O)O 3HL [0,0,0,0,0,0|3,0,0]=3 10 B6R0.2 C[C@H](CC(=O)O)O 3HR [0,0,0,0,0,0|3,0,0]=3 11 B5R0.1 C(CN)C(=O)O BAL [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 C(CO)C(=O)O 3OH [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 C(CS)C(=O)O MPT [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 C(C[SeH])C(=O)O SLP [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CC(=O)CCO BUQ [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 CC(C)CCN LEN [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CC(C)CCO IP3 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.1 CC=CC(=O)O BEO [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CCCC(=O)C PNH [1,0,0,0,0,0|1,0,0]=2 20 B5R0.1 CCCC(=O)N BMD [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CCCC(=O)O BUA [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 CCC[N+](=O)[O-] N1P [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 CCOC(=O)C EEE [1,0,0,0,0,0|0,0,0]=1 24 B5R0.1 CCOC(=O)O 01F [1,0,0,0,0,0|1,0,0]=2 25 B5R0.1 CCO[P@H](=O)O ATJ [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 CCSC(=N)N ITU [1,0,0,0,0,0|2,1,0]=4 27 B5R0.1 CCSC(=N)N SEU [1,0,0,0,0,0|2,1,0]=4 28 B5R0.1 CNCC(=O)O MGY [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 CNCC(=O)O SAR [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 CSCC(=O)[O-] MTG [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 CSC[S@@](=O)C DSS [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 C[C@H](CC=O)O 5KO [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 C[Se]CC(=O)[O-] MSF [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 C[Te]CC(=O)[O-] MTD [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 N=C(/N)\NCC EGD [1,0,0,0,0,0|3,0,0]=4 36 B5R0.1 N=C(\N)/[Se]CC ISU [1,0,0,0,0,0|2,1,0]=4 37 B7R0.2 C([C@@H](CO)N)C(=O)O ASJ [0,1,0,0,0,0|3,0,0]=4 38 B7R0.2 C([C@H](CO)N)C(=O)O B3S [0,1,0,0,0,0|3,0,0]=4 39 B7R0.2 C([C@H](CS)N)C(=O)O BCX [0,1,0,0,0,0|3,0,0]=4 40 B7R0.2 CC(C)C[C@@H](C=O)N LCZ [0,1,0,0,0,0|2,0,1]=4 41 B7R0.2 CC(C)C[C@@H](CO)N DCL [0,1,0,0,0,0|2,0,1]=4 42 B7R0.2 CC(C)C[C@@H]([C-]=O)[NH-] LEU_LL [0,1,0,0,0,0|2,0,1]=4 43 B7R0.2 CC(C)C[C@@H]([C-]=O)[NH3+] LEU_LSN3 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.2 CC(C)NC(=N)NO IHG [0,1,0,0,0,0|2,0,1]=4 45 B7R0.9 CC(=O)OP(=O)(O)O UVW [0,1,0,0,0,0|3,0,0]=4 46 B7R0.9 CC(=O)OS(=O)(=O)O AS8 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.9 CC(C)(C)CC(=O)O DTG [0,1,0,0,0,0|2,0,0]=3 48 B7R0.9 CC(C)(C)NC(=O)O TBB [0,1,0,0,0,0|2,0,0]=3 49 B7R0.9 CC(C)(C)OC(=O)O BOC [0,1,0,0,0,0|1,0,0]=2 50 B7R0.9 CC(C)(C)OC(=O)O OTB [0,1,0,0,0,0|1,0,0]=2 51 B7R0.9 CC(C)OP(=O)(O)O ISP [0,1,0,0,0,0|2,0,0]=3 52 B7R0.9 CC(C)OP(=O)(O)O MIP [0,1,0,0,0,0|2,0,0]=3 53 B7R0.9 C[C@@H](CC(C)(C)O)O MPD [0,1,0,0,0,0|1,0,2]=4 54 B7R0.9 C[C@H](CC(C)(C)O)O MRD [0,1,0,0,0,0|1,0,2]=4 55 B7R0.9 C[N+](C)(C)CC(=O)O BET [0,1,0,0,0,0|3,0,0]=4 56 B7R0.16 CC(C)C(=O)C(=O)O KIV [0,1,0,0,0,0|2,0,0]=3 57 B7R0.16 CC(C)[C@@H](C(=O)C)N VAF [0,1,0,0,0,0|1,0,0]=2 58 B7R0.16 CC(C)[C@@H](C(=O)N)N VLM [0,1,0,0,0,0|2,0,0]=3 59 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL [0,1,0,0,0,0|2,0,0]=3 60 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL_LFOH [0,1,0,0,0,0|2,0,0]=3 61 B7R0.16 CC(C)[C@@H](C(=O)O)O LHV [0,1,0,0,0,0|2,0,0]=3 62 B7R0.16 CC(C)[C@@H](C(=O)O)[NH-] VAL_LEO2H [0,1,0,0,0,0|2,0,0]=3 63 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH-] VAL_LEO2 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH3+] VAL_LFZW [0,1,0,0,0,0|2,0,0]=3 65 B7R0.16 CC(C)[C@H](C(=O)O)N DVA [0,1,0,0,0,0|2,0,0]=3 66 B7R0.16 CC(C)[C@H](C(=O)O)O VAD [0,1,0,0,0,0|2,0,0]=3 67 B7R0.16 C[C@@H](C(=O)O)N(C)C LAL [0,1,0,0,0,0|3,0,0]=4 68 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O ALO [0,1,0,0,0,0|3,0,0]=4 69 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O DTH [0,1,0,0,0,0|3,0,0]=4 70 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O 9AT [0,1,0,0,0,0|3,0,0]=4 71 B7R0.16 C[C@H]([C@@H](C(=O)O)N)N VLL [0,1,0,0,0,0|3,0,0]=4 72 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR [0,1,0,0,0,0|3,0,0]=4 73 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR_LFOH [0,1,0,0,0,0|3,0,0]=4 74 B7R0.16 C[C@H]([C@@H](C(=O)O)N)S CG6 [0,1,0,0,0,0|3,0,0]=4 75 B7R0.16 C[C@H]([C@@H](C(=O)O)N)[O-] THR_LFOH_DHG1 [0,1,0,0,0,0|3,0,0]=4 76 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])O THR_LEO2H [0,1,0,0,0,0|3,0,0]=4 77 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])[O-] THR_LEO2H_DHG1 [0,1,0,0,0,0|3,0,0]=4 78 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH-])O THR_LEO2 [0,1,0,0,0,0|3,0,0]=4 79 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH-])[O-] THR_LEO2_DHG1 [0,1,0,0,0,0|3,0,0]=4 80 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])O THR_LFZW [0,1,0,0,0,0|3,0,0]=4 81 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])[O-] THR_LFZW_DHG1 [0,1,0,0,0,0|3,0,0]=4 82 B7R0.16 C[C@H]([C@H](C(=O)O)N)N VDL [0,1,0,0,0,0|3,0,0]=4 83 B7R0.16 C[C@H]([C@H](C(=O)O)N)O 2TL [0,1,0,0,0,0|3,0,0]=4 84 B7R1.2 C1CC(=O)CC1=O CEJ [0,0,0,1,0,0|2,0,1]=4 85 B7R1.12 C[C@H]1[C@H](N1)C(=O)O 3K4 [0,0,0,1,0,0|3,0,0]=4 86 B5R0.5 C(C(=O)O)(Cl)Cl TF4 [0,0,0,0,1,0|3,0,0]=4 87 B5R0.5 CC(=O)C(=O)N PYM [0,0,0,0,1,0|2,0,1]=4 88 B5R0.5 CC(=O)C(=O)O PYR [0,0,0,0,1,0|2,0,1]=4 89 B5R0.5 CC(=O)N(C)C 5Y9 [0,0,0,0,1,0|1,0,0]=2 90 B5R0.5 CC(=[NH2+])C(=O)[O-] NAK [0,0,0,0,1,0|2,0,1]=4 91 B5R0.5 CC(C)C(=O)N IBO [0,0,0,0,1,0|1,0,0]=2 92 B5R0.5 CC(C)C(=O)O ALQ [0,0,0,0,1,0|1,0,0]=2 93 B5R0.5 CC(C)C(=O)O ISB [0,0,0,0,1,0|1,0,0]=2 94 B5R0.5 CC(C)[C@@H](C)N CDE [0,0,0,0,1,0|1,0,1]=3 95 B5R0.5 CC(C)[N+](=O)[O-] NIS [0,0,0,0,1,0|2,0,0]=3 96 B5R0.5 C[C@@H](C(=O)C)N ALM [0,0,0,0,1,0|1,0,0]=2 97 B5R0.5 C[C@@H](C(=O)C)O HBS [0,0,0,0,1,0|1,0,0]=2 98 B5R0.5 C[C@@H](C(=O)N)N 66N [0,0,0,0,1,0|2,0,0]=3 99 B5R0.5 C[C@@H](C(=O)O)Cl CNR [0,0,0,0,1,0|2,0,0]=3 100 B5R0.5 C[C@@H](C(=O)O)N ALA [0,0,0,0,1,0|2,0,0]=3 101 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [0,0,0,0,1,0|2,0,0]=3 102 B5R0.5 C[C@@H](C(=O)O)O 2OP [0,0,0,0,1,0|2,0,0]=3 103 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [0,0,0,0,1,0|2,0,0]=3 104 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [0,0,0,0,1,0|2,0,0]=3 105 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [0,0,0,0,1,0|2,0,0]=3 106 B5R0.5 C[C@@H](C(=S)O)N ALT [0,0,0,0,1,0|2,0,1]=4 107 B5R0.5 C[C@@H]([C@H](C)O)O BUD [0,0,0,0,1,0|1,0,2]=4 108 B5R0.5 C[C@H](C(=O)C)O HBR [0,0,0,0,1,0|1,0,0]=2 109 B5R0.5 C[C@H](C(=O)O)F 4LT [0,0,0,0,1,0|2,0,0]=3 110 B5R0.5 C[C@H](C(=O)O)N DAL [0,0,0,0,1,0|2,0,0]=3 111 B5R0.5 C[C@H](C(=O)O)O DLA [0,0,0,0,1,0|2,0,0]=3 112 B5R0.5 C[C@H](C(=O)O)O LAC [0,0,0,0,1,0|2,0,0]=3 113 B5R0.5 C[C@H]([C@@H](C)O)O BU3 [0,0,0,0,1,0|1,0,2]=4 114 B5R0.5 C[C@H]([C@H](C)O)O BU9 [0,0,0,0,1,0|1,0,2]=4 115 B5R0.5 [C@H](C(=O)O)(N)O HGY [0,0,0,0,1,0|3,0,0]=4 116 B7R0.6 CC(C)CCC(=O)O 4MV [0,0,0,0,0,1|2,0,0]=3 117 B7R0.6 CC(C)COC(=O)O IBU [0,0,0,0,0,1|1,0,0]=2 118 B7R0.6 CC(C)NCC(=O)O IPG [0,0,0,0,0,1|2,0,0]=3 119 B7R0.6 CS(C)CCC(=O)O DQY [0,0,0,0,0,1|3,0,0]=4 120 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [0,0,0,0,0,1|3,0,0]=4 121 B4R0.1 C(C(=O)N)F FTM [2,0,0,0,0,0|2,0,0]=4 122 B4R0.1 C(C(=O)N)N GM1 [2,0,0,0,0,0|2,0,0]=4 123 B4R0.1 C(C(=O)O)Br BRM [2,0,0,0,0,0|2,0,0]=4 124 B4R0.1 C(C(=O)O)Br BXA [2,0,0,0,0,0|2,0,0]=4 125 B4R0.1 C(C(=O)O)Cl R3W [2,0,0,0,0,0|2,0,0]=4 126 B4R0.1 C(C(=O)O)F FAH [2,0,0,0,0,0|2,0,0]=4 127 B4R0.1 C(C(=O)O)I 04E [2,0,0,0,0,0|2,0,0]=4 128 B4R0.1 C(C(=O)O)N GLY [2,0,0,0,0,0|2,0,0]=4 129 B4R0.1 C(C(=O)O)N GLY_LFOH [2,0,0,0,0,0|2,0,0]=4 130 B4R0.1 C(C(=O)O)O GOA [2,0,0,0,0,0|2,0,0]=4 131 B4R0.1 C(C(=O)O)S MCR [2,0,0,0,0,0|2,0,0]=4 132 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [2,0,0,0,0,0|2,0,0]=4 133 B4R0.1 C(C(=O)S)N GL3 [2,0,0,0,0,0|2,0,0]=4 134 B4R0.1 C(C(=O)[O-])[NH-] GLY_LEO2 [2,0,0,0,0,0|2,0,0]=4 135 B4R0.1 C(C(=O)[O-])[NH3+] GLY_LFZW [2,0,0,0,0,0|2,0,0]=4 136 B4R0.1 CC(=C)CN IRS [2,0,0,0,0,0|2,0,0]=4 137 B4R0.1 CC(=O)C=O PVL [2,0,0,0,0,0|1,0,1]=4 138 B4R0.1 CC(=O)CCl ATO [2,0,0,0,0,0|1,0,0]=3 139 B4R0.1 CC(=O)CN GCM [2,0,0,0,0,0|1,0,0]=3 140 B4R0.1 CC(=O)CN GLM [2,0,0,0,0,0|1,0,0]=3 141 B4R0.1 CC(=O)CO 4Y8 [2,0,0,0,0,0|1,0,0]=3 142 B4R0.1 CC(=O)NC NML [2,0,0,0,0,0|1,0,0]=3 143 B4R0.1 CC(=O)NO HAE [2,0,0,0,0,0|2,0,0]=4 144 B4R0.1 CC(=O)OO F50 [2,0,0,0,0,0|1,0,0]=3 145 B4R0.1 CC(=O)O[Hg+] MAC [2,0,0,0,0,0|1,0,0]=3 146 B4R0.1 CC(C)C=O 5OZ [2,0,0,0,0,0|0,0,0]=2 147 B4R0.1 CC(C)CN IBN [2,0,0,0,0,0|1,0,1]=4 148 B4R0.1 CC=C(C)C 2MB [2,0,0,0,0,0|0,0,1]=3 149 B4R0.1 CCC(=O)N ROP [2,0,0,0,0,0|1,0,0]=3 150 B4R0.1 CCC(=O)O PPI [2,0,0,0,0,0|1,0,0]=3 151 B4R0.1 CC[C@H](C)O SBT [2,0,0,0,0,0|0,0,2]=4 152 B4R0.1 CC[N+](=O)[O-] NIE [2,0,0,0,0,0|2,0,0]=4 153 B4R0.1 CN(C)C=O DMF [2,0,0,0,0,0|1,0,0]=3 154 B4R0.1 CNC(=O)N NMU [2,0,0,0,0,0|2,0,0]=4 155 B4R0.1 CNC(=O)O RGI [2,0,0,0,0,0|2,0,0]=4 156 B4R0.1 COC(=O)O 000 [2,0,0,0,0,0|1,0,0]=3 157 B4R0.1 C[C@@H](C=O)N 5XU [2,0,0,0,0,0|1,0,0]=3 158 B4R0.1 C[C@@H]([C-]=O)[NH-] ALA_LL [2,0,0,0,0,0|1,0,1]=4 159 B4R0.1 C[C@@H]([C-]=O)[NH3+] ALA_LSN3 [2,0,0,0,0,0|1,0,1]=4 160 B4R0.2 C(CS)C=O MPR [2,0,0,0,0,0|2,0,0]=4 161 B4R0.2 C/C=C/C=O CRD [2,0,0,0,0,0|1,0,1]=4 162 B4R0.2 CCCCC LNK [2,0,0,0,0,0|1,0,1]=4 163 B4R0.2 CCOC=O ETO [2,0,0,0,0,0|0,0,0]=2 164 B4R0.2 CCOCC ETZ [2,0,0,0,0,0|0,0,1]=3 165 B4R0.2 CCOC[O-] EOM [2,0,0,0,0,0|0,0,2]=4 166 B6R0.1 CCC(=O)OCC CA1 [1,1,0,0,0,0|0,0,0]=2 167 B6R0.1 CCNC(=O)OC MEC [1,1,0,0,0,0|1,0,0]=3 168 B6R0.1 CCOC(=O)CN GEE [1,1,0,0,0,0|0,0,0]=2 169 B6R0.1 CCOC(=O)NC EMB [1,1,0,0,0,0|0,0,0]=2 170 B6R0.1 CCS[C@H](C)SC 0AJ [1,1,0,0,0,0|0,1,1]=4 171 B6R0.3 CC(=O)[C@H](CO)O DE2 [1,1,0,0,0,0|2,0,0]=4 172 B6R0.3 CC(C)[C@@H]([C-]=O)[NH-] VAL_LL [1,1,0,0,0,0|1,0,1]=4 173 B6R0.3 CC(C)[C@@H]([C-]=O)[NH3+] VAL_LSN3 [1,1,0,0,0,0|1,0,1]=4 174 B6R0.3 CCC(=O)C(=O)O 2KT [1,1,0,0,0,0|2,0,0]=4 175 B6R0.3 CCC(C(=O)O)N AA3 [1,1,0,0,0,0|2,0,0]=4 176 B6R0.3 CC[C@@H](C(=O)O)Cl 39J [1,1,0,0,0,0|2,0,0]=4 177 B6R0.3 CC[C@@H](C(=O)O)N AB7 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.3 CC[C@@H](C(=O)O)N ABA [1,1,0,0,0,0|2,0,0]=4 179 B6R0.3 CC[C@@H](C(=O)O)N UNK [1,1,0,0,0,0|2,0,0]=4 180 B6R0.3 CC[C@H](C(=O)O)N DBB [1,1,0,0,0,0|2,0,0]=4 181 B6R0.3 CC[C@H](C)C(=O)O SMB [1,1,0,0,0,0|2,0,0]=4 182 B6R0.4 C(CC(=O)O)CBr 0A5 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.4 C(CC(=O)O)CN ABU [1,1,0,0,0,0|2,0,0]=4 184 B6R0.4 CC(C)CCC=O MOP [1,1,0,0,0,0|1,0,0]=3 185 B6R0.4 CCCCC(=O)O LEA [1,1,0,0,0,0|2,0,0]=4 186 B6R0.4 CCCCC(=O)O PEI [1,1,0,0,0,0|2,0,0]=4 187 B6R0.4 CCCOC(=O)C 4PA [1,1,0,0,0,0|0,0,0]=2 188 B6R0.4 CCNCC(=O)O 2JC [1,1,0,0,0,0|2,0,0]=4 189 B6R0.5 CC(C)(C)OC=O TBF [1,1,0,0,0,0|0,0,0]=2 190 B6R0.5 CCOP(=O)(O)O EFS [1,1,0,0,0,0|2,0,0]=4 191 B6R0.5 CCO[P@](=O)(C)O VX [1,1,0,0,0,0|1,0,0]=3 192 B6R0.5 C[N+](C)(C)CC=O BTL [1,1,0,0,0,0|2,0,0]=4 193 B6R0.7 CC(C)(C(=O)O)Br B2P [0,1,0,0,1,0|1,0,0]=3 194 B6R0.7 CC(C)(C(=O)O)N AIB [0,1,0,0,1,0|1,0,0]=3 195 B6R0.7 CC(C)(C)C(=O)N TAY [0,1,0,0,1,0|1,0,0]=3 196 B6R0.7 CC(C)(C)C(=O)O PIV [0,1,0,0,1,0|1,0,0]=3 197 B6R0.7 C[C@H](C(C)(C)C)N 00D [0,1,0,0,1,0|1,0,1]=4 198 B8R0.9 CC(=O)NC[C@@H](CO)N 1HD [0,1,0,0,0,1|2,0,0]=4 199 B8R0.9 CC(=O)OC[C@@H](CO)O JIM [0,1,0,0,0,1|1,0,0]=3 200 B8R0.23 CC(C)CC(=O)C(=O)O COI [0,1,0,0,0,1|2,0,0]=4 201 B8R0.23 CC(C)CC(C(=O)O)Cl HRI [0,1,0,0,0,1|2,0,0]=4 202 B8R0.23 CC(C)C[C@@H](C(=O)C)N LEM [0,1,0,0,0,1|1,0,0]=3 203 B8R0.23 CC(C)C[C@@H](C(=O)N)N CLE [0,1,0,0,0,1|2,0,0]=4 204 B8R0.23 CC(C)C[C@@H](C(=O)N)N NLW [0,1,0,0,0,1|2,0,0]=4 205 B8R0.23 CC(C)C[C@@H](C(=O)O)Cl 03H [0,1,0,0,0,1|2,0,0]=4 206 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU [0,1,0,0,0,1|2,0,0]=4 207 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU_LFOH [0,1,0,0,0,1|2,0,0]=4 208 B8R0.23 CC(C)C[C@@H](C(=O)O)O 1LU [0,1,0,0,0,1|2,0,0]=4 209 B8R0.23 CC(C)C[C@@H](C(=O)O)O OLE [0,1,0,0,0,1|2,0,0]=4 210 B8R0.23 CC(C)C[C@@H](C(=O)O)[NH-] LEU_LEO2H [0,1,0,0,0,1|2,0,0]=4 211 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH-] LEU_LEO2 [0,1,0,0,0,1|2,0,0]=4 212 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH3+] LEU_LFZW [0,1,0,0,0,1|2,0,0]=4 213 B8R0.23 CC(C)C[C@H](C(=O)O)N DLE [0,1,0,0,0,1|2,0,0]=4 214 B8R0.23 CC(C)C[C@H](C(=O)O)O 2RH [0,1,0,0,0,1|2,0,0]=4 215 B8R0.23 CC(C)NC(=O)C(=O)O 40E [0,1,0,0,0,1|2,0,0]=4 216 B8R0.23 CC(C)[C@@H](CC(=O)O)N 1VR [0,1,0,0,0,1|2,0,0]=4 217 B8R0.23 C[C@@H](CC(C)C)C(=O)O 7GA [0,1,0,0,0,1|2,0,0]=4 218 B8R0.29 CC(C)CO[P@@](=O)(C)O VR [0,1,0,0,0,1|1,0,0]=3 219 B8R0.2 CC(C)[C@@H](C(=O)OC)N 0AA [0,2,0,0,0,0|1,0,0]=3 220 B8R0.2 CC(C)[C@@H](C(=O)OC)N VME [0,2,0,0,0,0|1,0,0]=3 221 B8R0.2 CC(C)[C@H](C(=O)NO)N HAV [0,2,0,0,0,0|2,0,0]=4 222 B8R0.2 CC([C@H](C(=O)O)N)OC XDT [0,2,0,0,0,0|2,0,0]=4 223 B8R0.2 CC([C@H](C(=O)O)N)SC 1ME [0,2,0,0,0,0|2,0,0]=4 224 B8R0.2 CC[C@@H](C)[C@@H](C(=O)O)N IIL [0,2,0,0,0,0|2,0,0]=4 225 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N DIL [0,2,0,0,0,0|2,0,0]=4 226 B8R0.2 CC[C@H](C)C(=O)C(=O)O 1QQ [0,2,0,0,0,0|2,0,0]=4 227 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N ILE [0,2,0,0,0,0|2,0,0]=4 228 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N ILE_LFOH [0,2,0,0,0,0|2,0,0]=4 229 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)O OIL [0,2,0,0,0,0|2,0,0]=4 230 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)[NH-] ILE_LEO2H [0,2,0,0,0,0|2,0,0]=4 231 B8R0.2 CC[C@H](C)[C@@H](C(=O)[O-])[NH-] ILE_LEO2 [0,2,0,0,0,0|2,0,0]=4 232 B8R0.2 CC[C@H](C)[C@@H](C(=O)[O-])[NH3+] ILE_LFZW [0,2,0,0,0,0|2,0,0]=4 233 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N 28J [0,2,0,0,0,0|2,0,0]=4 234 B8R0.2 C[C@H]([C@@H](C(=O)O)N)OC OLT [0,2,0,0,0,0|2,0,0]=4 235 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N BUG [0,2,0,0,0,0|2,0,0]=4 236 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N HV5 [0,2,0,0,0,0|2,0,0]=4 237 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N TBG [0,2,0,0,0,0|2,0,0]=4 238 B8R0.27 CC(C)(C)[C@H](C(=O)O)N TDD [0,2,0,0,0,0|2,0,0]=4 239 B8R0.27 CC(C)([C@@H](C(=O)O)N)O HVA [0,2,0,0,0,0|2,0,0]=4 240 B8R0.27 CC(C)([C@@H](C(=O)O)N)S LE1 [0,2,0,0,0,0|2,0,0]=4 241 B8R0.27 CC(C)([C@@H](C(=O)O)O)O 89V [0,2,0,0,0,0|2,0,0]=4 242 B8R0.27 CC(C)([C@H](C(=O)O)N)O DHV [0,2,0,0,0,0|2,0,0]=4 243 B8R0.27 CC(C)([C@H](C(=O)O)N)S LEI [0,2,0,0,0,0|2,0,0]=4 244 B8R0.18 CC(C)[C@@H](C(=O)N)NC MNV [0,2,0,0,0,0|2,0,0]=4 245 B8R0.18 CC(C)[C@@H](C(=O)O)NC MVA [0,2,0,0,0,0|2,0,0]=4 246 B8R0.18 CC(C)[C@H](C(=O)O)NC MV9 [0,2,0,0,0,0|2,0,0]=4 247 B6R1.2 C1CC(=O)NC1 BAQ [1,0,0,1,0,0|1,0,0]=3 248 B6R1.2 C1CC(=O)OC1 GBL [1,0,0,1,0,0|0,0,0]=2 249 B6R1.2 C1CCC(=O)C1 MFW [1,0,0,1,0,0|1,0,0]=3 250 B6R1.3 COCC1CC1 09U [1,0,0,1,0,0|2,0,0]=4 251 B8R1.1 C1CC(=O)N[C@@H]1C=O CGN [0,1,0,1,0,0|1,0,1]=4 252 B8R1.4 C[C@H]1CCNC(=C1)N 284 [0,1,0,1,0,0|2,0,0]=4 253 B8R1.18 CC1=C[C@@H](OC1=O)O H3M [0,1,0,1,0,0|1,0,1]=4 254 B8R1.18 CC1[C@H](O[C@@H](N1)C)C 285 [0,1,0,1,0,0|1,0,1]=4 255 B8R1.40 C[C@@H](CC1CC1)C=O CPP [0,1,0,1,0,0|1,0,1]=4 256 B8R0.28 CC(=CCCC(=O)C)C 0VT [0,0,0,0,0,2|1,0,1]=4 257 B8R0.28 CC(C)CNCC(=O)O I4G [0,0,0,0,0,2|2,0,0]=4