0 B6R0.2 C(C(=O)N)C(=O)O MLM [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 C(C(=O)O)C(=O)Cl PR6 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 C(C(=O)O)C(=O)O MLA [0,0,0,0,0,0|3,0,1]=4 3 B6R0.2 C(C(=O)[O-])C(=O)[O-] MLI [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 CC(=O)CC(=O)C P2D [0,0,0,0,0,0|1,0,1]=2 5 B6R0.2 CC(=O)CC(=O)O AAE [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 CC(=O)CC(=O)O LIN [0,0,0,0,0,0|2,0,1]=3 7 B6R0.2 CC(C)CC(=O)O IVA [0,0,0,0,0,0|1,0,2]=3 8 B6R0.2 CC(C)C[C@@H](C)N 2LU [0,0,0,0,0,0|1,0,3]=4 9 B6R0.2 CC(C)SC(=N)N IPU [0,0,0,0,0,0|3,0,1]=4 10 B6R0.2 CN(C)CC(=O)O DMG [0,0,0,0,0,0|2,0,1]=3 11 B6R0.2 CS(C)CC(=O)O 313 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.2 C[C@@H](CC(=O)O)N B3A [0,0,0,0,0,0|2,0,2]=4 13 B6R0.2 C[C@@H](CC(=O)O)O 3HL [0,0,0,0,0,0|2,0,2]=4 14 B6R0.2 C[C@H](CC(=O)O)O 3HR [0,0,0,0,0,0|2,0,2]=4 15 B5R0.1 CC(=O)CCO BUQ [1,0,0,0,0,0|1,0,2]=4 16 B5R0.1 CC=CC(=O)O BEO [1,0,0,0,0,0|1,0,0]=2 17 B5R0.1 CCCC(=O)C PNH [1,0,0,0,0,0|0,0,2]=3 18 B5R0.1 CCCC(=O)N BMD [1,0,0,0,0,0|1,0,2]=4 19 B5R0.1 CCCC(=O)O BUA [1,0,0,0,0,0|1,0,2]=4 20 B5R0.1 CCOC(=O)C EEE [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CCOC(=O)O 01F [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CNCC(=O)O MGY [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 CNCC(=O)O SAR [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 CSCC(=O)[O-] MTG [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CSC[S@@](=O)C DSS [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 C[C@H](CC=O)O 5KO [1,0,0,0,0,0|1,0,2]=4 27 B5R0.1 C[Se]CC(=O)[O-] MSF [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 C[Te]CC(=O)[O-] MTD [1,0,0,0,0,0|2,0,1]=4 29 B7R0.9 CC(C)(C)CC(=O)O DTG [0,1,0,0,0,0|1,0,2]=4 30 B7R0.9 CC(C)(C)NC(=O)O TBB [0,1,0,0,0,0|2,0,1]=4 31 B7R0.9 CC(C)(C)OC(=O)O BOC [0,1,0,0,0,0|2,0,1]=4 32 B7R0.9 CC(C)(C)OC(=O)O OTB [0,1,0,0,0,0|2,0,1]=4 33 B7R0.9 C[N+](C)(C)CC(=O)O BET [0,1,0,0,0,0|2,0,1]=4 34 B7R0.16 C(=O)(C(=O)O)C(=O)O MAK [0,1,0,0,0,0|3,0,0]=4 35 B7R0.16 CC(=O)[C@@H](C(=O)O)N AKB [0,1,0,0,0,0|2,0,1]=4 36 B7R0.16 CC(C)C(=O)C(=O)O KIV [0,1,0,0,0,0|1,0,1]=3 37 B7R0.16 CC(C)[C@@H](C(=O)C)N VAF [0,1,0,0,0,0|0,0,2]=3 38 B7R0.16 CC(C)[C@@H](C(=O)N)N VLM [0,1,0,0,0,0|1,0,2]=4 39 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL [0,1,0,0,0,0|1,0,2]=4 40 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL_LFOH [0,1,0,0,0,0|1,0,2]=4 41 B7R0.16 CC(C)[C@@H](C(=O)O)O LHV [0,1,0,0,0,0|1,0,2]=4 42 B7R0.16 CC(C)[C@@H](C(=O)O)[NH-] VAL_LEO2H [0,1,0,0,0,0|1,0,2]=4 43 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH-] VAL_LEO2 [0,1,0,0,0,0|1,0,2]=4 44 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH3+] VAL_LFZW [0,1,0,0,0,0|1,0,2]=4 45 B7R0.16 CC(C)[C@H](C(=O)O)N DVA [0,1,0,0,0,0|1,0,2]=4 46 B7R0.16 CC(C)[C@H](C(=O)O)O VAD [0,1,0,0,0,0|1,0,2]=4 47 B7R0.16 C[C@@H](C(=O)O)N(C)C LAL [0,1,0,0,0,0|2,0,1]=4 48 B7R0.16 C\C(=C(/C(=O)O)\N)\O MOZ [0,1,0,0,0,0|2,0,0]=3 49 B7R0.16 C\C(=C(/C(=O)O)\N)\S BB6 [0,1,0,0,0,0|2,0,0]=3 50 B7R1.2 C1C(=O)NC(=O)N1 HYN [0,0,0,1,0,0|3,0,0]=4 51 B7R1.2 C1CC(=O)CC1=O CEJ [0,0,0,1,0,0|1,0,1]=3 52 B7R1.2 Cc1cc(no1)N M3I [0,0,0,1,0,0|2,0,1]=4 53 B7R1.2 Cc1cc(on1)N MIO [0,0,0,1,0,0|2,0,1]=4 54 B5R0.5 C(=O)(C(=O)O)N OXM [0,0,0,0,1,0|3,0,0]=4 55 B5R0.5 C(=O)(C(=O)O)O OXD [0,0,0,0,1,0|3,0,0]=4 56 B5R0.5 C(=O)(C(=O)[O-])[O-] OXL [0,0,0,0,1,0|3,0,0]=4 57 B5R0.5 C=C(C(=O)N)N PYT [0,0,0,0,1,0|2,0,1]=4 58 B5R0.5 C=C(C(=O)O)N DHA [0,0,0,0,1,0|2,0,1]=4 59 B5R0.5 CC(=O)C(=O)N PYM [0,0,0,0,1,0|2,0,0]=3 60 B5R0.5 CC(=O)C(=O)O PYR [0,0,0,0,1,0|2,0,0]=3 61 B5R0.5 CC(=O)N(C)C 5Y9 [0,0,0,0,1,0|1,0,0]=2 62 B5R0.5 CC(=[NH2+])C(=O)[O-] NAK [0,0,0,0,1,0|2,0,0]=3 63 B5R0.5 CC(C)C(=O)N IBO [0,0,0,0,1,0|1,0,1]=3 64 B5R0.5 CC(C)C(=O)O ALQ [0,0,0,0,1,0|1,0,1]=3 65 B5R0.5 CC(C)C(=O)O ISB [0,0,0,0,1,0|1,0,1]=3 66 B5R0.5 CC(C)[C@@H](C)N CDE [0,0,0,0,1,0|1,0,2]=4 67 B5R0.5 CC(C)[N+](=O)[O-] NIS [0,0,0,0,1,0|2,0,1]=4 68 B5R0.5 C[C@@H](C(=O)C)N ALM [0,0,0,0,1,0|1,0,1]=3 69 B5R0.5 C[C@@H](C(=O)C)O HBS [0,0,0,0,1,0|1,0,1]=3 70 B5R0.5 C[C@@H](C(=O)N)N 66N [0,0,0,0,1,0|2,0,1]=4 71 B5R0.5 C[C@@H](C(=O)O)Cl CNR [0,0,0,0,1,0|2,0,1]=4 72 B5R0.5 C[C@@H](C(=O)O)N ALA [0,0,0,0,1,0|2,0,1]=4 73 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [0,0,0,0,1,0|2,0,1]=4 74 B5R0.5 C[C@@H](C(=O)O)O 2OP [0,0,0,0,1,0|2,0,1]=4 75 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [0,0,0,0,1,0|2,0,1]=4 76 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [0,0,0,0,1,0|2,0,1]=4 77 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [0,0,0,0,1,0|2,0,1]=4 78 B5R0.5 C[C@H](C(=O)C)O HBR [0,0,0,0,1,0|1,0,1]=3 79 B5R0.5 C[C@H](C(=O)O)F 4LT [0,0,0,0,1,0|2,0,1]=4 80 B5R0.5 C[C@H](C(=O)O)N DAL [0,0,0,0,1,0|2,0,1]=4 81 B5R0.5 C[C@H](C(=O)O)O DLA [0,0,0,0,1,0|2,0,1]=4 82 B5R0.5 C[C@H](C(=O)O)O LAC [0,0,0,0,1,0|2,0,1]=4 83 B7R0.6 C(=C\C(=O)O)/C(=O)O FUM [0,0,0,0,0,1|3,0,0]=4 84 B7R0.6 C(=C\C(=O)O)\C(=O)O MAE [0,0,0,0,0,1|3,0,0]=4 85 B7R0.6 C(=C\C(=O)[O-])/C(=O)[O-] FMR [0,0,0,0,0,1|3,0,0]=4 86 B7R0.6 CC(=O)CCC(=O)O SHF [0,0,0,0,0,1|2,0,1]=4 87 B7R0.6 CC(=O)NCC(=O)O AAC [0,0,0,0,0,1|2,0,1]=4 88 B7R0.6 CC(C)CCC(=O)O 4MV [0,0,0,0,0,1|1,0,2]=4 89 B7R0.6 CC(C)COC(=O)O IBU [0,0,0,0,0,1|1,0,2]=4 90 B7R0.6 CC(C)NCC(=O)O IPG [0,0,0,0,0,1|1,0,2]=4 91 B7R0.6 CS(C)CCC(=O)O DQY [0,0,0,0,0,1|2,0,1]=4 92 B4R0.1 C(=O)C(=O)O GLV [2,0,0,0,0,0|2,0,0]=4 93 B4R0.1 C=CC(=O)N 1HC [2,0,0,0,0,0|1,0,0]=3 94 B4R0.1 C=CC(=O)O AKR [2,0,0,0,0,0|1,0,0]=3 95 B4R0.1 CC(=C)C=C 61G [2,0,0,0,0,0|0,0,1]=3 96 B4R0.1 CC(=O)C=O PVL [2,0,0,0,0,0|1,0,0]=3 97 B4R0.1 CC(=O)CCl ATO [2,0,0,0,0,0|1,0,1]=4 98 B4R0.1 CC(=O)CN GCM [2,0,0,0,0,0|1,0,1]=4 99 B4R0.1 CC(=O)CN GLM [2,0,0,0,0,0|1,0,1]=4 100 B4R0.1 CC(=O)CO 4Y8 [2,0,0,0,0,0|1,0,1]=4 101 B4R0.1 CC(=O)NC NML [2,0,0,0,0,0|1,0,0]=3 102 B4R0.1 CC(=O)NO HAE [2,0,0,0,0,0|2,0,0]=4 103 B4R0.1 CC(=O)OO F50 [2,0,0,0,0,0|2,0,0]=4 104 B4R0.1 CC(=O)O[Hg+] MAC [2,0,0,0,0,0|2,0,0]=4 105 B4R0.1 CC(C)C=O 5OZ [2,0,0,0,0,0|0,0,1]=3 106 B4R0.1 CC=C(C)C 2MB [2,0,0,0,0,0|0,0,0]=2 107 B4R0.1 CCC(=O)N ROP [2,0,0,0,0,0|1,0,1]=4 108 B4R0.1 CCC(=O)O PPI [2,0,0,0,0,0|1,0,1]=4 109 B4R0.1 CN(C)C=O DMF [2,0,0,0,0,0|1,0,0]=3 110 B4R0.1 CNC(=O)N NMU [2,0,0,0,0,0|2,0,0]=4 111 B4R0.1 CNC(=O)O RGI [2,0,0,0,0,0|2,0,0]=4 112 B4R0.1 COC(=O)O 000 [2,0,0,0,0,0|2,0,0]=4 113 B4R0.1 C[C@@H](C=O)N 5XU [2,0,0,0,0,0|1,0,1]=4 114 B4R0.2 C(C=O)C=O MDD [2,0,0,0,0,0|1,0,1]=4 115 B4R0.2 C/C=C/C=O CRD [2,0,0,0,0,0|0,0,0]=2 116 B4R0.2 CCOC=O ETO [2,0,0,0,0,0|1,0,1]=4 117 B6R0.1 CCC(=O)OCC CA1 [1,1,0,0,0,0|1,0,1]=4 118 B6R0.1 CCNC(=O)OC MEC [1,1,0,0,0,0|1,0,1]=4 119 B6R0.1 CCOC(=O)CN GEE [1,1,0,0,0,0|1,0,1]=4 120 B6R0.1 CCOC(=O)NC EMB [1,1,0,0,0,0|1,0,1]=4 121 B6R0.1 C\C(=C\CO)\CO 6OM [1,1,0,0,0,0|0,0,2]=4 122 B6R0.3 C(=C(/C(=O)O)\N)\S BB9 [1,1,0,0,0,0|2,0,0]=4 123 B6R0.3 C(=C(\C(=O)O)/N)/[SeH] 30F [1,1,0,0,0,0|2,0,0]=4 124 B6R0.3 C/C=C(/C(=O)O)\N DBU [1,1,0,0,0,0|1,0,0]=3 125 B6R0.3 CCC(=O)C(=O)O 2KT [1,1,0,0,0,0|1,0,1]=4 126 B6R0.3 CNC(=C)C(=O)O DAM [1,1,0,0,0,0|2,0,0]=4 127 B6R0.3 C\C=C(\C)/C(=O)O MB8 [1,1,0,0,0,0|1,0,0]=3 128 B6R0.4 CC(C)CCC=O MOP [1,1,0,0,0,0|0,0,2]=4 129 B6R0.4 CCCOC(=O)C 4PA [1,1,0,0,0,0|0,0,2]=4 130 B6R0.5 CC(C)(C)OC=O TBF [1,1,0,0,0,0|1,0,1]=4 131 B6R0.5 C[N+](C)(C)CC=O BTL [1,1,0,0,0,0|1,0,1]=4 132 B6R0.7 CC(C)(C(=O)O)Br B2P [0,1,0,0,1,0|1,0,1]=4 133 B6R0.7 CC(C)(C(=O)O)N AIB [0,1,0,0,1,0|1,0,1]=4 134 B6R0.7 CC(C)(C)C(=O)N TAY [0,1,0,0,1,0|1,0,1]=4 135 B6R0.7 CC(C)(C)C(=O)O PIV [0,1,0,0,1,0|1,0,1]=4 136 B8R0.23 CC(C)CC(=O)C(=O)O COI [0,1,0,0,0,1|1,0,1]=4 137 B8R0.23 CC(C)C[C@@H](C(=O)C)N LEM [0,1,0,0,0,1|0,0,2]=4 138 B8R0.23 CC(C)NC(=O)C(=O)O 40E [0,1,0,0,0,1|1,0,1]=4 139 B8R0.2 CC(C)[C@@H](C(=O)OC)N 0AA [0,2,0,0,0,0|0,0,2]=4 140 B8R0.2 CC(C)[C@@H](C(=O)OC)N VME [0,2,0,0,0,0|0,0,2]=4 141 B8R0.2 CC[C@H](C)C(=O)C(=O)O 1QQ [0,2,0,0,0,0|1,0,1]=4 142 B8R0.5 CCOC(=O)CC(=O)C EAC [0,2,0,0,0,0|1,0,1]=4 143 B8R0.19 N=C(/NC)\NC(=O)NC XRG [0,2,0,0,0,0|2,0,0]=4 144 B6R1.2 C1CC(=O)NC1 BAQ [1,0,0,1,0,0|1,0,1]=4 145 B6R1.2 C1CC(=O)OC1 GBL [1,0,0,1,0,0|1,0,1]=4 146 B6R1.2 C1CCC(=O)C1 MFW [1,0,0,1,0,0|0,0,2]=4 147 B6R1.2 Cc1cc[nH]c1 5MP [1,0,0,1,0,0|1,0,1]=4 148 B8R1.3 Cc1ccc(cc1)C PXY [0,0,0,1,0,1|1,0,1]=4 149 B8R1.3 Cc1cnc(cn1)C 25R [0,0,0,1,0,1|1,0,1]=4 150 B8R1.4 C1CNC(=O)NC1=O DUC [0,1,0,1,0,0|2,0,0]=4 151 B8R1.4 C[C@H]1CCNC(=C1)N 284 [0,1,0,1,0,0|1,0,1]=4 152 B8R1.18 C1[C@@H](C(=O)NC1=O)N SNN [0,1,0,1,0,0|2,0,0]=4 153 B8R1.50 CC1=C(C(=O)CO1)O 4XX [0,1,0,1,0,0|1,0,0]=3 154 B8R1.50 CN1C(=O)CCC1=O LCY [0,1,0,1,0,0|2,0,0]=4 155 B8R0.28 CC(=CCCC(=O)C)C 0VT [0,0,0,0,0,2|0,0,0]=2