0 B7R0.6 C(=C\C(=O)O)/C(=O)O FUM [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 C(=C\C(=O)O)\C(=O)O MAE [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 C(=C\C(=O)[O-])/C(=O)[O-] FMR [0,0,0,0,0,0|2,0,2]=4 3 B7R0.6 C(CC(=O)O)C(=O)O SIN [0,0,0,0,0,0|2,0,1]=3 4 B7R0.6 C(C[N+](=O)[O-])C(=O)O 3NP [0,0,0,0,0,0|3,0,1]=4 5 B7R0.6 CC(=O)CCC(=O)O SHF [0,0,0,0,0,0|1,0,1]=2 6 B7R0.6 CC(=O)NCC(=O)O AAC [0,0,0,0,0,0|2,0,0]=2 7 B7R0.6 CC(C)CCC(=O)O 4MV [0,0,0,0,0,0|0,0,2]=2 8 B7R0.6 CC(C)COC(=O)O IBU [0,0,0,0,0,0|1,0,2]=3 9 B7R0.6 CC(C)NCC(=O)O IPG [0,0,0,0,0,0|1,0,1]=2 10 B7R0.6 CS(C)CCC(=O)O DQY [0,0,0,0,0,0|1,0,1]=2 11 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.6 N=C(\N)/NCC(=O)O NMG [0,0,0,0,0,0|3,0,0]=3 13 B6R0.4 C#CCCC(=O)O 54L [1,0,0,0,0,0|0,0,3]=4 14 B6R0.4 C(CC(=O)O)C=O SSN [1,0,0,0,0,0|1,0,1]=3 15 B6R0.4 C(CC(=O)O)CBr 0A5 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.4 C(CC(=O)O)CN ABU [1,0,0,0,0,0|1,0,2]=4 17 B6R0.4 C(CSS)C(=O)O 3SS [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 CC(C)CCC=O MOP [1,0,0,0,0,0|0,0,2]=3 19 B6R0.4 CCCCC(=O)O LEA [1,0,0,0,0,0|0,0,2]=3 20 B6R0.4 CCCCC(=O)O PEI [1,0,0,0,0,0|0,0,2]=3 21 B6R0.4 CCNCC(=O)O 2JC [1,0,0,0,0,0|1,0,1]=3 22 B8R0.9 C(CC(=O)O)C(=O)C=O HKV [0,1,0,0,0,0|1,0,2]=4 23 B8R0.9 C(CC(=O)O)C(=O)CCl TQ9 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.9 C(CC(=O)O)C(=O)CF LAF [0,1,0,0,0,0|1,0,1]=3 25 B8R0.9 C(CC(=O)O)[C@@H](CN)N HOZ [0,1,0,0,0,0|1,0,2]=4 26 B8R0.9 C(CC(=O)O)[C@@H](CO)N GAU [0,1,0,0,0,0|1,0,2]=4 27 B8R0.9 C/C=C(\CCC(=O)O)/N GEG [0,1,0,0,0,0|1,0,1]=3 28 B8R0.9 CC[C@H](CCC(=O)O)N VIG [0,1,0,0,0,0|1,0,2]=4 29 B8R0.9 COC(=O)CCC(=O)O MSU [0,1,0,0,0,0|1,0,1]=3 30 B8R0.9 COC(CCC(=O)O)O HMB [0,1,0,0,0,0|1,0,2]=4 31 B8R0.23 *=C(*)C[C@@H](C(=O)O)N ASX [0,1,0,0,0,0|2,0,1]=4 32 B8R0.23 C(=C(/C(=O)O)\N)/C(=O)O 2KZ [0,1,0,0,0,0|2,0,1]=4 33 B8R0.23 C(=C(/O)\[O-])/[C@H](C(=O)[O-])O TEO [0,1,0,0,0,0|2,0,1]=4 34 B8R0.23 C(=C(\C(=O)O)/N)/C(=O)O DYA [0,1,0,0,0,0|2,0,1]=4 35 B8R0.23 C(C(=O)C(=O)O)C(=O)[O-] OAA [0,1,0,0,0,0|2,0,1]=4 36 B8R0.23 C(C(=O)O)N(C(=O)O)O HAD [0,1,0,0,0,0|3,0,0]=4 37 B8R0.23 C([C@@H](C(=O)N)N)C(=O)O XSN [0,1,0,0,0,0|2,0,1]=4 38 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N ASN [0,1,0,0,0,0|2,0,1]=4 39 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N ASN_LFOH [0,1,0,0,0,0|2,0,1]=4 40 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O ASP [0,1,0,0,0,0|2,0,1]=4 41 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O ASP_LFOH [0,1,0,0,0,0|2,0,1]=4 42 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O IAS [0,1,0,0,0,0|2,0,1]=4 43 B8R0.23 C([C@@H](C(=O)O)N)C(=O)[O-] ASP_LFOH_DHD2 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O LMR [0,1,0,0,0,0|2,0,1]=4 45 B8R0.23 C([C@@H](C(=O)O)[NH-])C(=O)N ASN_LEO2H [0,1,0,0,0,0|2,0,1]=4 46 B8R0.23 C([C@@H](C(=O)O)[NH-])C(=O)O ASP_LEO2H [0,1,0,0,0,0|2,0,1]=4 47 B8R0.23 C([C@@H](C(=O)O)[NH-])C(=O)[O-] ASP_LEO2H_DHD2 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)O ASI [0,1,0,0,0,0|2,0,1]=4 49 B8R0.23 C([C@@H](C(=O)[O-])[NH-])C(=O)O ASP_LEO2 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.23 C([C@@H](C(=O)[O-])[NH3+])C(=O)O ASP_LFZW [0,1,0,0,0,0|2,0,1]=4 51 B8R0.23 C([C@H](C(=O)O)N)C(=O)N DSG [0,1,0,0,0,0|2,0,1]=4 52 B8R0.23 C([C@H](C(=O)O)N)C(=O)O DAS [0,1,0,0,0,0|2,0,1]=4 53 B8R0.23 C([C@H](C(=O)O)N)C(=O)O DSP [0,1,0,0,0,0|2,0,1]=4 54 B8R0.23 C([C@H](C(=O)O)O)C(=O)O DMR [0,1,0,0,0,0|2,0,1]=4 55 B8R0.23 C([C@H](C(=O)O)O)C(=O)O MLT [0,1,0,0,0,0|2,0,1]=4 56 B8R0.23 C=C(CC(=O)O)C(=O)O ITN [0,1,0,0,0,0|2,0,0]=3 57 B8R0.23 C=C(C[C@@H](C(=O)O)N)Br A8E [0,1,0,0,0,0|1,0,2]=4 58 B8R0.23 CC(=O)[C@H](CC(=O)O)N ASK [0,1,0,0,0,0|1,0,1]=3 59 B8R0.23 CC(C)CC(=O)C(=O)O COI [0,1,0,0,0,0|0,0,3]=4 60 B8R0.23 CC(C)CC(C(=O)O)Cl HRI [0,1,0,0,0,0|0,0,2]=3 61 B8R0.23 CC(C)C[C@@H](C(=O)C)N LEM [0,1,0,0,0,0|1,0,2]=4 62 B8R0.23 CC(C)C[C@@H](C(=O)N)N CLE [0,1,0,0,0,0|1,0,2]=4 63 B8R0.23 CC(C)C[C@@H](C(=O)N)N NLW [0,1,0,0,0,0|1,0,2]=4 64 B8R0.23 CC(C)C[C@@H](C(=O)O)Cl 03H [0,1,0,0,0,0|0,0,2]=3 65 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU [0,1,0,0,0,0|0,0,2]=3 66 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU_LFOH [0,1,0,0,0,0|0,0,2]=3 67 B8R0.23 CC(C)C[C@@H](C(=O)O)O 1LU [0,1,0,0,0,0|0,0,2]=3 68 B8R0.23 CC(C)C[C@@H](C(=O)O)O OLE [0,1,0,0,0,0|0,0,2]=3 69 B8R0.23 CC(C)C[C@@H](C(=O)O)[NH-] LEU_LEO2H [0,1,0,0,0,0|0,0,2]=3 70 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH-] LEU_LEO2 [0,1,0,0,0,0|0,0,3]=4 71 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH3+] LEU_LFZW [0,1,0,0,0,0|0,0,3]=4 72 B8R0.23 CC(C)C[C@H](C(=O)O)N DLE [0,1,0,0,0,0|0,0,2]=3 73 B8R0.23 CC(C)C[C@H](C(=O)O)O 2RH [0,1,0,0,0,0|0,0,2]=3 74 B8R0.23 CC(C)NC(=O)C(=O)O 40E [0,1,0,0,0,0|1,0,2]=4 75 B8R0.23 CC(C)[C@@H](CC(=O)O)N 1VR [0,1,0,0,0,0|0,0,2]=3 76 B8R0.23 CC(CC(=O)O)C(=O)O JO3 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.23 CN(CC(=O)O)C(=N)N CRN [0,1,0,0,0,0|3,0,0]=4 78 B8R0.23 CN(CC(=O)O)C(=O)N CMS [0,1,0,0,0,0|3,0,0]=4 79 B8R0.23 C[C@@H](C(=O)O)NC(=O)C AYA [0,1,0,0,0,0|2,0,0]=3 80 B8R0.23 C[C@@H](C(=O)O)NC(=O)O NXA [0,1,0,0,0,0|3,0,0]=4 81 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SUH [0,1,0,0,0,0|2,0,1]=4 82 B8R0.23 C[C@@H](CC(C)C)C(=O)O 7GA [0,1,0,0,0,0|0,0,2]=3 83 B8R0.23 C[C@H](C(=O)O)NC(=O)N NCB [0,1,0,0,0,0|3,0,0]=4 84 B8R0.23 C[C@H]([C@@H](CC(=O)O)N)O B3T [0,1,0,0,0,0|1,0,2]=4 85 B8R0.23 C\C(=C/C(=O)O)\C(=O)O MEZ [0,1,0,0,0,0|2,0,1]=4 86 B8R0.23 C\C(=C\C(=O)O)\C(=O)O CIZ [0,1,0,0,0,0|2,0,1]=4 87 B8R0.23 N=C(\C[C@@H](C(=O)O)N)/O 41Q [0,1,0,0,0,0|2,0,1]=4 88 B8R0.23 [C@H](C(=O)O)(N)NC(=O)N UGY [0,1,0,0,0,0|3,0,0]=4 89 B8R0.23 [C@H](C(=O)O)(NC(=O)N)O UGC [0,1,0,0,0,0|3,0,0]=4 90 B8R0.29 CC(C)CCP(=O)(O)O IPI [0,1,0,0,0,0|1,0,2]=4 91 B8R0.29 CN(C)CCS(=O)(=O)O ASZ [0,1,0,0,0,0|2,0,1]=4 92 B8R1.3 Cc1ccc(cc1)O PCR [0,0,0,1,0,0|1,0,2]=4 93 B6R0.2 C(C(=O)N)C(=O)O MLM [0,0,0,0,1,0|2,0,0]=3 94 B6R0.2 C(C(=O)O)C(=O)Cl PR6 [0,0,0,0,1,0|2,0,0]=3 95 B6R0.2 C(C(=O)O)C(=O)O MLA [0,0,0,0,1,0|2,0,0]=3 96 B6R0.2 C(C(=O)[O-])C(=O)[O-] MLI [0,0,0,0,1,0|2,0,1]=4 97 B6R0.2 CC(=O)CC(=O)C P2D [0,0,0,0,1,0|2,0,0]=3 98 B6R0.2 CC(=O)CC(=O)O AAE [0,0,0,0,1,0|1,0,0]=2 99 B6R0.2 CC(=O)CC(=O)O LIN [0,0,0,0,1,0|1,0,0]=2 100 B6R0.2 CC(C)CC(=O)O IVA [0,0,0,0,1,0|0,0,1]=2 101 B6R0.2 CN(C)CC(=O)O DMG [0,0,0,0,1,0|1,0,0]=2 102 B6R0.2 CS(C)CC(=O)O 313 [0,0,0,0,1,0|1,0,0]=2 103 B6R0.2 C[C@@H](CC(=O)O)N B3A [0,0,0,0,1,0|1,0,1]=3 104 B6R0.2 C[C@@H](CC(=O)O)O 3HL [0,0,0,0,1,0|1,0,1]=3 105 B6R0.2 C[C@H](CC(=O)O)O 3HR [0,0,0,0,1,0|1,0,1]=3 106 B8R0.28 C(C(=O)O)OCC(=O)O OEG [0,0,0,0,0,1|2,0,1]=4 107 B8R0.28 C(C(=O)O)SCC(=O)O 9X6 [0,0,0,0,0,1|2,0,1]=4 108 B8R0.28 C(CC(=O)O)CC(=O)O GUA [0,0,0,0,0,1|2,0,1]=4 109 B8R0.28 C(CNC(=O)N)C(=O)O URP [0,0,0,0,0,1|2,0,1]=4 110 B8R0.28 C(\C=C\C(=O)O)C(=O)O G9A [0,0,0,0,0,1|2,0,0]=3 111 B8R0.28 CC(=CCCC(=O)C)C 0VT [0,0,0,0,0,1|1,0,0]=2 112 B8R0.28 CC(=O)CCCC(=O)O 4AT [0,0,0,0,0,1|1,0,1]=3 113 B8R0.28 CC(C)CNCC(=O)O I4G [0,0,0,0,0,1|0,0,2]=3 114 B5R0.1 C(C(=O)O)ON AOA [2,0,0,0,0,0|2,0,0]=4 115 B5R0.1 C(CN)C(=O)O BAL [2,0,0,0,0,0|1,0,1]=4 116 B5R0.1 C(CO)C(=O)O 3OH [2,0,0,0,0,0|1,0,1]=4 117 B5R0.1 C(CS)C(=O)O MPT [2,0,0,0,0,0|1,0,1]=4 118 B5R0.1 C(C[SeH])C(=O)O SLP [2,0,0,0,0,0|1,0,1]=4 119 B5R0.1 CC(=O)CCO BUQ [2,0,0,0,0,0|1,0,1]=4 120 B5R0.1 CC(C)CCO IP3 [2,0,0,0,0,0|0,0,2]=4 121 B5R0.1 CC=CC(=O)O BEO [2,0,0,0,0,0|0,0,0]=2 122 B5R0.1 CCCC(=O)C PNH [2,0,0,0,0,0|1,0,1]=4 123 B5R0.1 CCCC(=O)N BMD [2,0,0,0,0,0|1,0,1]=4 124 B5R0.1 CCCC(=O)O BUA [2,0,0,0,0,0|0,0,1]=3 125 B5R0.1 CCOC(=O)O 01F [2,0,0,0,0,0|1,0,1]=4 126 B5R0.1 CNCC(=O)O MGY [2,0,0,0,0,0|1,0,0]=3 127 B5R0.1 CNCC(=O)O SAR [2,0,0,0,0,0|1,0,0]=3 128 B5R0.1 CSCC(=O)[O-] MTG [2,0,0,0,0,0|1,0,1]=4 129 B5R0.1 C[C@H](CC=O)O 5KO [2,0,0,0,0,0|1,0,1]=4 130 B5R0.1 C[Se]CC(=O)[O-] MSF [2,0,0,0,0,0|1,0,1]=4 131 B5R0.1 C[Te]CC(=O)[O-] MTD [2,0,0,0,0,0|1,0,1]=4 132 B5R0.2 C(=CC=O)C=O 2FU [2,0,0,0,0,0|1,0,1]=4 133 B5R0.2 CCCCC=O PTL [2,0,0,0,0,0|0,0,2]=4 134 B7R0.2 C(C(=O)O)N(C=O)O HDA [1,1,0,0,0,0|2,0,0]=4 135 B7R0.2 C([C@@H](C=O)N)C(=O)O ASA [1,1,0,0,0,0|1,0,1]=4 136 B7R0.2 CC(C)C[C@@H](C=O)N LCZ [1,1,0,0,0,0|0,0,2]=4 137 B7R0.4 C(CCO)CC(=O)O SHO [1,1,0,0,0,0|0,0,2]=4 138 B7R0.4 C(CC[NH3+])CC(=O)O DAV [1,1,0,0,0,0|0,0,2]=4 139 B7R0.4 C(COCC(=O)O)O VKC [1,1,0,0,0,0|1,0,1]=4 140 B7R0.4 C(CSCC(=O)O)N ESD [1,1,0,0,0,0|1,0,1]=4 141 B7R0.4 C(\C=C\CN)C(=O)O FBE [1,1,0,0,0,0|0,0,0]=2 142 B7R0.4 CCCCCC(=O)O 6NA [1,1,0,0,0,0|0,0,2]=4 143 B7R0.5 C(C=O)[C@H](C(=O)O)N AS2 [1,1,0,0,0,0|1,0,1]=4 144 B7R0.5 C/C=C\C(=O)C(=O)O OXP [1,1,0,0,0,0|0,0,1]=3 145 B7R0.5 C=CC[C@@H](C(=O)O)N 2AG [1,1,0,0,0,0|0,0,2]=4 146 B7R0.5 C=CC[C@H](C(=O)O)N DYL [1,1,0,0,0,0|0,0,2]=4 147 B7R0.5 CCC[C@@H](C(=O)O)N 2PI [1,1,0,0,0,0|0,0,2]=4 148 B7R0.5 CCC[C@@H](C(=O)O)N BTA [1,1,0,0,0,0|0,0,2]=4 149 B7R0.5 CCC[C@@H](C(=O)O)N NVA [1,1,0,0,0,0|0,0,2]=4 150 B7R0.5 CCC[C@@H](C(=O)O)N RON [1,1,0,0,0,0|0,0,2]=4 151 B7R0.5 CCS[C@@H](C(=O)O)N GSC [1,1,0,0,0,0|1,0,1]=4 152 B7R0.5 COC[C@@H](C(=O)O)N 7C9 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.5 CS/C=C(/C(=O)O)\O DEI [1,1,0,0,0,0|1,0,1]=4 154 B7R0.5 CSC[C@@H](C(=O)O)N CYM [1,1,0,0,0,0|1,0,1]=4 155 B7R0.5 CSC[C@@H](C(=O)O)N SMC [1,1,0,0,0,0|1,0,1]=4 156 B7R0.5 CSC[C@H](C(=O)O)N 060 [1,1,0,0,0,0|1,0,1]=4 157 B7R0.9 CC(=O)CP(=O)(O)O 7VD [0,1,0,0,1,0|2,0,0]=4 158 B7R0.9 CC(C)(C)CC(=O)O DTG [0,1,0,0,1,0|0,0,1]=3 159 B7R0.9 CC(C)(C)NC(=O)O TBB [0,1,0,0,1,0|1,0,1]=4 160 B7R0.9 CC(C)(C)OC(=O)O BOC [0,1,0,0,1,0|1,0,1]=4 161 B7R0.9 CC(C)(C)OC(=O)O OTB [0,1,0,0,1,0|1,0,1]=4 162 B7R0.9 C[N+](C)(C)CC(=O)O BET [0,1,0,0,1,0|1,0,0]=3 163 B7R0.16 C(=O)(C(=O)O)C(=O)O MAK [0,1,0,0,1,0|2,0,0]=4 164 B7R0.16 C(C(=O)O)(C(=O)O)N FGL [0,1,0,0,1,0|2,0,0]=4 165 B7R0.16 CC(=O)[C@@H](C(=O)O)N AKB [0,1,0,0,1,0|1,0,0]=3 166 B7R0.16 CC(C(=O)O)C(=O)O DXX [0,1,0,0,1,0|2,0,0]=4 167 B7R0.16 CC(C)C(=O)C(=O)O KIV [0,1,0,0,1,0|0,0,1]=3 168 B7R0.16 CC(C)[C@@H](C(=O)C)N VAF [0,1,0,0,1,0|1,0,1]=4 169 B7R0.16 CC(C)[C@@H](C(=O)N)N VLM [0,1,0,0,1,0|1,0,1]=4 170 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL [0,1,0,0,1,0|0,0,1]=3 171 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL_LFOH [0,1,0,0,1,0|0,0,1]=3 172 B7R0.16 CC(C)[C@@H](C(=O)O)O LHV [0,1,0,0,1,0|0,0,1]=3 173 B7R0.16 CC(C)[C@@H](C(=O)O)[NH-] VAL_LEO2H [0,1,0,0,1,0|0,0,1]=3 174 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH-] VAL_LEO2 [0,1,0,0,1,0|0,0,2]=4 175 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH3+] VAL_LFZW [0,1,0,0,1,0|0,0,2]=4 176 B7R0.16 CC(C)[C@H](C(=O)O)N DVA [0,1,0,0,1,0|0,0,1]=3 177 B7R0.16 CC(C)[C@H](C(=O)O)O VAD [0,1,0,0,1,0|0,0,1]=3 178 B7R0.16 C[C@@H](C(=O)O)N(C)C LAL [0,1,0,0,1,0|1,0,0]=3 179 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O ALO [0,1,0,0,1,0|1,0,1]=4 180 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O DTH [0,1,0,0,1,0|1,0,1]=4 181 B7R0.16 C[C@H]([C@@H](C(=O)O)N)N VLL [0,1,0,0,1,0|1,0,1]=4 182 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR [0,1,0,0,1,0|1,0,1]=4 183 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR_LFOH [0,1,0,0,1,0|1,0,1]=4 184 B7R0.16 C[C@H]([C@@H](C(=O)O)N)S CG6 [0,1,0,0,1,0|1,0,1]=4 185 B7R0.16 C[C@H]([C@@H](C(=O)O)N)[O-] THR_LFOH_DHG1 [0,1,0,0,1,0|1,0,1]=4 186 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])O THR_LEO2H [0,1,0,0,1,0|1,0,1]=4 187 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])[O-] THR_LEO2H_DHG1 [0,1,0,0,1,0|1,0,1]=4 188 B7R0.16 C[C@H]([C@H](C(=O)O)N)N VDL [0,1,0,0,1,0|1,0,1]=4 189 B7R0.16 C[C@H]([C@H](C(=O)O)N)O 2TL [0,1,0,0,1,0|1,0,1]=4 190 B7R0.16 C\C(=C(/C(=O)O)\N)\O MOZ [0,1,0,0,1,0|1,0,0]=3 191 B7R0.16 C\C(=C(/C(=O)O)\N)\S BB6 [0,1,0,0,1,0|1,0,0]=3 192 B9R0.1 CC[C@H](C)C\C=C\C(=O)O 39Y [0,1,0,0,0,1|0,0,2]=4 193 B9R0.1 C\C=C(/C)\CCC=C(C)C 650 [0,1,0,0,0,1|2,0,0]=4 194 B9R0.7 C(C(=O)O)NC(=O)C(=O)O OGA [0,1,0,0,0,1|2,0,0]=4 195 B9R0.7 C(CC(=O)O)C(=O)C(=O)O 2OG [0,1,0,0,0,1|2,0,0]=4 196 B9R0.7 C(CC(=O)O)C(=O)C(=O)O AKG [0,1,0,0,0,1|2,0,0]=4 197 B9R0.7 CC(=O)CC[C@@H](C(=O)O)N ONL [0,1,0,0,0,1|1,0,1]=4 198 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N OAS [0,1,0,0,0,1|1,0,1]=4 199 B9R0.7 CC(=O)SC[C@@H](C(=O)O)N SCY [0,1,0,0,0,1|1,0,1]=4 200 B9R0.7 CC(=O)[C@H](CCC(=O)O)N MKE [0,1,0,0,0,1|1,0,1]=4 201 B9R0.7 CC(C)CC[C@@H](C(=O)O)N HLX [0,1,0,0,0,1|0,0,2]=4 202 B9R0.7 CC(C)[C@@H](CCC(=O)O)N 0JT [0,1,0,0,0,1|0,0,2]=4 203 B9R0.7 C[As](C)SC[C@@H](C(=O)O)N CAS [0,1,0,0,0,1|1,0,1]=4 204 B9R0.7 C[C@@H](C(=O)NCC(=O)O)S WJZ [0,1,0,0,0,1|1,0,1]=4 205 B9R0.53 CC(C)C[C@@H](CC(=O)O)N B3L [0,1,0,0,0,1|0,0,2]=4 206 B9R0.53 C[C@@H](CC(=O)CC(=O)O)N KMH [0,1,0,0,0,1|1,0,1]=4 207 B9R0.56 CC(=CCOP(=O)(O)O)C 4LR [0,1,0,0,0,1|1,0,0]=3 208 B9R0.56 C[N+](C)(C)CCCC(=O)O NM2 [0,1,0,0,0,1|1,0,1]=4 209 B9R0.56 C[N+](C)(C)NCCC(=O)O REE [0,1,0,0,0,1|1,0,1]=4 210 B9R0.23 C([C@@H](C(=O)CCl)N)C(=O)O AKL [0,2,0,0,0,0|1,0,1]=4 211 B9R0.23 CC(C)C[C@@H](C(=O)CO)N LEX [0,2,0,0,0,0|0,0,2]=4 212 B9R0.23 CC(C)C[C@@H](C(=O)NO)N LNO [0,2,0,0,0,0|0,0,2]=4 213 B9R0.23 CC(C)C[C@@H](C(=O)OC)N MLL [0,2,0,0,0,0|0,0,2]=4 214 B9R0.23 CC[C@H](C)[C@@H](CC(=O)O)N BIL [0,2,0,0,0,0|0,0,2]=4 215 B9R0.42 CNC(=O)C[C@@H](C(=O)O)N MEN [0,2,0,0,0,0|1,0,1]=4 216 B9R0.42 CNC(=O)C[C@H](C(=O)O)N MND [0,2,0,0,0,0|1,0,1]=4 217 B9R0.42 C[C@@H](C[C@@H](C(=O)O)N)CF LEF [0,2,0,0,0,0|0,0,2]=4 218 B9R0.11 CC(C)C[C@@](C)(C(=O)O)N 2ML [0,2,0,0,0,0|0,0,2]=4 219 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O SAC [0,2,0,0,0,0|2,0,0]=4 220 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O 1ZT [0,2,0,0,0,0|2,0,0]=4 221 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O SC2 [0,2,0,0,0,0|2,0,0]=4 222 B9R0.39 CC(C)C[C@@H](C(=O)O)NC MLE [0,2,0,0,0,0|0,0,2]=4 223 B9R0.39 CC(C)C[C@H](C(=O)O)NC MLU [0,2,0,0,0,0|0,0,2]=4 224 B9R0.39 CC(C)C[C@H](CN)C(=O)O 4L8 [0,2,0,0,0,0|0,0,2]=4 225 B9R0.39 CC(C)C[C@H](CS)C(=O)O SLE [0,2,0,0,0,0|0,0,2]=4 226 B9R0.57 CC(C)(C)C[C@@H](C(=O)O)N 0JY [0,2,0,0,0,0|0,0,2]=4 227 B9R0.79 CC(C)[C@@H]([C@@H](C(=O)O)N)O HLU [0,2,0,0,0,0|0,0,2]=4 228 B9R0.79 CC(C)[C@H]([C@@H](C(=O)O)N)O HL2 [0,2,0,0,0,0|0,0,2]=4 229 B9R0.79 C[C@H]([C@@H](C(C)C)O)C(=O)O 28H [0,2,0,0,0,0|0,0,2]=4 230 B7R1.2 C1CC(=O)CC1=O CEJ [1,0,0,1,0,0|1,0,1]=4 231 B7R1.12 C[C@H]1[C@H](N1)C(=O)O 3K4 [1,0,0,1,0,0|1,0,1]=4 232 B7R1.18 C1CN[C@@H]1C(=O)O 02A [1,0,0,1,0,0|1,0,1]=4 233 B9R1.35 C1[C@H](NCC1=O)C(=O)O DPL [0,0,0,1,0,1|1,0,1]=4 234 B9R1.35 C[C@@H]1C[C@H](NC1)C(=O)O MP8 [0,0,0,1,0,1|0,0,2]=4 235 B9R1.35 Cc1ccc([nH]1)C(=O)O 5M1 [0,0,0,1,0,1|1,0,1]=4 236 B9R1.35 Cc1ccc(o1)C(=O)O 2K1 [0,0,0,1,0,1|1,0,1]=4 237 B9R1.35 Cc1ncc(s1)C(=O)O 6V9 [0,0,0,1,0,1|1,0,1]=4 238 B9R1.85 C1CC1CNCC(=O)O NMC [0,0,0,1,0,1|0,0,2]=4 239 B9R1.69 Cc1ccc(cc1C)O 2MP [0,1,0,1,0,0|1,0,1]=4 240 B5R0.5 C(=O)(C(=O)O)N OXM [0,0,0,0,2,0|2,0,0]=4 241 B5R0.5 C(=O)(C(=O)O)O OXD [0,0,0,0,2,0|2,0,0]=4 242 B5R0.5 C=C(C(=O)O)N DHA [0,0,0,0,2,0|1,0,1]=4 243 B5R0.5 CC(=O)C(=O)N PYM [0,0,0,0,2,0|2,0,0]=4 244 B5R0.5 CC(=O)C(=O)O PYR [0,0,0,0,2,0|1,0,0]=3 245 B5R0.5 CC(=O)N(C)C 5Y9 [0,0,0,0,2,0|2,0,0]=4 246 B5R0.5 CC(=[NH2+])C(=O)[O-] NAK [0,0,0,0,2,0|1,0,1]=4 247 B5R0.5 CC(C)C(=O)N IBO [0,0,0,0,2,0|1,0,1]=4 248 B5R0.5 CC(C)C(=O)O ALQ [0,0,0,0,2,0|0,0,1]=3 249 B5R0.5 CC(C)C(=O)O ISB [0,0,0,0,2,0|0,0,1]=3 250 B5R0.5 C[C@@H](C(=O)O)Cl CNR [0,0,0,0,2,0|1,0,1]=4 251 B5R0.5 C[C@@H](C(=O)O)N ALA [0,0,0,0,2,0|1,0,1]=4 252 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [0,0,0,0,2,0|1,0,1]=4 253 B5R0.5 C[C@@H](C(=O)O)O 2OP [0,0,0,0,2,0|1,0,1]=4 254 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [0,0,0,0,2,0|1,0,1]=4 255 B5R0.5 C[C@H](C(=O)O)F 4LT [0,0,0,0,2,0|1,0,1]=4 256 B5R0.5 C[C@H](C(=O)O)N DAL [0,0,0,0,2,0|1,0,1]=4 257 B5R0.5 C[C@H](C(=O)O)O DLA [0,0,0,0,2,0|1,0,1]=4 258 B5R0.5 C[C@H](C(=O)O)O LAC [0,0,0,0,2,0|1,0,1]=4 259 B9R0.55 CC(C)CCCCC(=O)O 6F5 [0,0,0,0,0,2|0,0,2]=4