0 B8R1.1 C1CC(=O)N[C@@H]1C=O CGN [0,0,0,0,0,0|2,0,1]=3 1 B7R1.1 C1C[C@H](NC1)CN P2Y [1,0,0,0,0,0|2,0,1]=4 2 B7R1.2 C1CC(=O)CC1=O CEJ [1,0,0,0,0,0|2,0,1]=4 3 B9R1.22 C1[C@@H]([C@H](O[C@H]1O)CO)O 2DR [0,1,0,0,0,0|1,0,2]=4 4 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O 5HP [0,1,0,0,0,0|2,0,1]=4 5 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O PCA [0,1,0,0,0,0|2,0,1]=4 6 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O PCC [0,1,0,0,0,0|2,0,1]=4 7 B7R0.3 C(C[C@@H](CO)O)CO XXD [0,0,1,0,0,0|1,0,2]=4 8 B7R0.3 C=CCC[C@@H](CO)O 217 [0,0,1,0,0,0|2,0,0]=3 9 B7R0.3 CCCC[C@@H](CO)O 0RE [0,0,1,0,0,0|2,0,1]=4 10 B7R0.3 CCCC[C@H](CO)O 7FB [0,0,1,0,0,0|2,0,1]=4 11 B7R0.3 COC(=O)CCCN GVE [0,0,1,0,0,0|3,0,0]=4 12 B7R0.4 C(CCO)CC(=O)O SHO [0,0,1,0,0,0|1,0,0]=2 13 B7R0.4 C(CC[NH3+])CC(=O)O DAV [0,0,1,0,0,0|1,0,0]=2 14 B7R0.4 C(COCC(=O)O)O VKC [0,0,1,0,0,0|2,0,0]=3 15 B7R0.4 C(CSCC(=O)O)N ESD [0,0,1,0,0,0|2,0,0]=3 16 B7R0.4 C(\C=C\CN)C(=O)O FBE [0,0,1,0,0,0|1,0,2]=4 17 B7R0.4 CCCCCC(=O)C HTX [0,0,1,0,0,0|1,0,0]=2 18 B7R0.4 CCCCCC(=O)O 6NA [0,0,1,0,0,0|0,0,0]=1 19 B7R0.4 CCCCOC(=O)C 8JZ [0,0,1,0,0,0|2,0,0]=3 20 B7R0.4 CCOCC[P@H](=O)[O-] BR5 [0,0,1,0,0,0|2,0,1]=4 21 B9R2.39 C1C[C@@H]2C[C@H]1CC2=O NCM [0,0,0,1,0,0|1,0,0]=2 22 B9R2.39 C1[C@@H]2C=C[C@H]1NC2=O 66Y [0,0,0,1,0,0|1,0,2]=4 23 B9R2.39 C1[C@H]2C=C[C@@H]1NC2=O 66Z [0,0,0,1,0,0|1,0,2]=4 24 B6R0.1 C(CO)[C@H](C[O])O BGQ [1,0,1,0,0,0|1,0,1]=4 25 B6R0.1 CCC(=O)OCC CA1 [1,0,1,0,0,0|0,0,0]=2 26 B6R0.1 CCC[C@@H](CO)O 1SP [1,0,1,0,0,0|1,0,1]=4 27 B6R0.1 CCNC(=O)OC MEC [1,0,1,0,0,0|2,0,0]=4 28 B6R0.1 CCOC(=O)CN GEE [1,0,1,0,0,0|1,0,0]=3 29 B6R0.1 CCOC(=O)NC EMB [1,0,1,0,0,0|1,0,0]=3 30 B6R0.2 CC(C)CC(=O)O IVA [1,0,1,0,0,0|2,0,0]=4 31 B6R0.4 B(CCCC)(O)O BUB [1,0,1,0,0,0|1,0,1]=4 32 B6R0.4 C#CCCC(=O)O 54L [1,0,1,0,0,0|0,0,2]=4 33 B6R0.4 C(CC(=O)O)C=O SSN [1,0,1,0,0,0|1,0,1]=4 34 B6R0.4 C(CC(=O)O)CBr 0A5 [1,0,1,0,0,0|1,0,0]=3 35 B6R0.4 C(CC(=O)O)CN ABU [1,0,1,0,0,0|1,0,0]=3 36 B6R0.4 C(CSS)C(=O)O 3SS [1,0,1,0,0,0|2,0,0]=4 37 B6R0.4 CC(C)CCC=O MOP [1,0,1,0,0,0|1,0,0]=3 38 B6R0.4 CCCCC(=O)O LEA [1,0,1,0,0,0|0,0,0]=2 39 B6R0.4 CCCCC(=O)O PEI [1,0,1,0,0,0|0,0,0]=2 40 B6R0.4 CCCOC(=O)C 4PA [1,0,1,0,0,0|0,0,0]=2 41 B6R0.4 CCNCC(=O)O 2JC [1,0,1,0,0,0|1,0,0]=3 42 B6R0.6 C(CC=N)CC=O ARN [1,0,1,0,0,0|1,0,1]=4 43 B6R0.6 C(CC=O)CC=O PTD [1,0,1,0,0,0|1,0,1]=4 44 B6R0.6 C(CCO)CC=O GAQ [1,0,1,0,0,0|1,0,0]=3 45 B6R0.6 C(COCC=O)O 1KA [1,0,1,0,0,0|2,0,0]=4 46 B6R0.6 CCCCCCC HP6 [1,0,1,0,0,0|1,0,1]=4 47 B6R0.6 CCCCCCO HE2 [1,0,1,0,0,0|0,0,1]=3 48 B6R0.6 CCCCNC=O YIV [1,0,1,0,0,0|1,0,0]=3 49 B6R0.6 CCCSCCO 266 [1,0,1,0,0,0|1,0,1]=4 50 B6R1.2 C1CC(=O)NC1 BAQ [2,0,0,0,0,0|1,0,0]=3 51 B6R1.2 C1CC(=O)OC1 GBL [2,0,0,0,0,0|0,0,0]=2 52 B6R1.2 C1CCC(=O)C1 MFW [2,0,0,0,0,0|1,0,0]=3 53 B8R0.2 CC[C@@H](C)[C@@H](C(=O)O)N IIL [0,1,1,0,0,0|2,0,0]=4 54 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N DIL [0,1,1,0,0,0|2,0,0]=4 55 B8R0.2 CC[C@H](C)C(=O)C(=O)O 1QQ [0,1,1,0,0,0|2,0,0]=4 56 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N ILE [0,1,1,0,0,0|2,0,0]=4 57 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N ILE_LFOH [0,1,1,0,0,0|2,0,0]=4 58 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)O OIL [0,1,1,0,0,0|2,0,0]=4 59 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)[NH-] ILE_LEO2H [0,1,1,0,0,0|2,0,0]=4 60 B8R0.2 CC[C@H](C)[C@@H](C(=O)[O-])[NH-] ILE_LEO2 [0,1,1,0,0,0|2,0,0]=4 61 B8R0.2 CC[C@H](C)[C@@H](C(=O)[O-])[NH3+] ILE_LFZW [0,1,1,0,0,0|2,0,0]=4 62 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N 28J [0,1,1,0,0,0|2,0,0]=4 63 B8R0.9 C(CC(=O)N)[C@@H](CO)N ECC [0,1,1,0,0,0|2,0,0]=4 64 B8R0.9 C(CC(=O)O)[C@@H](CN)N HOZ [0,1,1,0,0,0|2,0,0]=4 65 B8R0.9 C(CC(=O)O)[C@@H](CO)N GAU [0,1,1,0,0,0|2,0,0]=4 66 B8R0.9 CC(=O)OC[C@@H](CO)O JIM [0,1,1,0,0,0|2,0,0]=4 67 B8R0.9 CC[C@H](CCC(=O)O)N VIG [0,1,1,0,0,0|1,0,0]=3 68 B8R0.9 COC(CCC(=O)O)O HMB [0,1,1,0,0,0|1,0,0]=3 69 B8R0.11 CCCC[C@H](CC)CO 2EH [0,1,1,0,0,0|1,0,1]=4 70 B8R0.7 C(CCC(=O)O)CCN ACA [0,1,1,0,0,0|0,0,0]=2 71 B8R0.7 C(CCC(=O)O)CCN AHA [0,1,1,0,0,0|0,0,0]=2 72 B8R0.7 C(CNCC(=O)O)C=O CL5 [0,1,1,0,0,0|1,0,1]=4 73 B8R0.7 CCCCCCC(=O)N HPN [0,1,1,0,0,0|1,0,0]=3 74 B8R0.7 CCCCCCC(=O)O SHV [0,1,1,0,0,0|0,0,0]=2 75 B8R0.7 CCCCCC[N+](=O)[O-] N6C [0,1,1,0,0,0|1,0,1]=4 76 B8R0.21 CCCCO[P@@](=O)(C)O CVX [0,1,1,0,0,0|2,0,0]=4 77 B8R0.28 C(CC(=O)O)CC(=O)O GUA [0,1,1,0,0,0|1,0,1]=4 78 B8R0.28 C(CC(=O)O)C[N+](=O)[O-] 4NI [0,1,1,0,0,0|2,0,0]=4 79 B8R0.28 CC(=O)CCCC(=O)O 4AT [0,1,1,0,0,0|0,0,1]=3 80 B8R0.28 CC(C)CNCC(=O)O I4G [0,1,1,0,0,0|1,0,0]=3 81 B8R1.11 C1=CO[C@H]([C@@H]1O)CO R2G [1,1,0,0,0,0|1,0,1]=4 82 B10R1.16 CCCC[C@H]1CC[S@](=O)C1 SSB [0,2,0,0,0,0|2,0,0]=4 83 B8R1.3 C1CC(CCC1N)O SZ3 [0,0,1,1,0,0|1,0,1]=4 84 B8R1.3 C1CC(CCC1O)O 71J [0,0,1,1,0,0|0,0,2]=4 85 B8R1.5 C1C[C@@H](C(=O)NC1)O XDL [0,0,1,1,0,0|2,0,0]=4 86 B8R1.5 C[C@H]1CCCC[C@@H]1O 4DX [0,0,1,1,0,0|1,0,1]=4 87 B8R1.22 C1CCC(=O)NCC1 ICC [0,0,1,1,0,0|1,0,0]=3 88 B8R1.22 C1CCC(=O)OCC1 ECE [0,0,1,1,0,0|0,0,0]=2 89 B6R0.3 CC(=O)[C@H](CO)O DE2 [0,0,1,0,1,0|2,0,0]=4 90 B6R0.3 CCC(C(=O)O)N AA3 [0,0,1,0,1,0|2,0,0]=4 91 B6R0.3 CC[C@@H](C(=O)O)Cl 39J [0,0,1,0,1,0|2,0,0]=4 92 B6R0.3 CC[C@@H](C(=O)O)N AB7 [0,0,1,0,1,0|2,0,0]=4 93 B6R0.3 CC[C@@H](C(=O)O)N ABA [0,0,1,0,1,0|2,0,0]=4 94 B6R0.3 CC[C@@H](C(=O)O)N UNK [0,0,1,0,1,0|2,0,0]=4 95 B6R0.3 CC[C@H](C(=O)O)N DBB [0,0,1,0,1,0|2,0,0]=4 96 B6R0.3 CC[C@H](C)C(=O)O SMB [0,0,1,0,1,0|1,0,0]=3 97 B6R0.3 CC[C@H](C)[N+](=O)[O-] NBT [0,0,1,0,1,0|2,0,0]=4 98 B6R0.3 C[C@@H](C(=O)N)NC ZZJ [0,0,1,0,1,0|2,0,0]=4 99 B6R0.3 C[C@@H](C(=O)O)NC MAA [0,0,1,0,1,0|2,0,0]=4 100 B6R0.3 C[C@@H](CN)C(=O)O 62H [0,0,1,0,1,0|2,0,0]=4 101 B6R0.3 C[C@@H](CN)C(=O)[O-] BIB [0,0,1,0,1,0|2,0,0]=4 102 B6R0.3 C[C@H](C(=O)O)NC 33X [0,0,1,0,1,0|2,0,0]=4 103 B6R0.3 C[C@H](CO)C(=O)O HIU [0,0,1,0,1,0|2,0,0]=4 104 B6R0.3 C[C@H](CS)C(=O)O CC8 [0,0,1,0,1,0|2,0,0]=4