0 B7R0.1 C(CCC=O)CCN DNL [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C(CCCBr)CCO BHL [0,0,0,0,0,0|2,0,0]=2 2 B7R0.1 C(CCCN)CCN 16D [0,0,0,0,0,0|3,0,0]=3 3 B7R0.1 C(CCCO)CCN 6AH [0,0,0,0,0,0|2,0,0]=2 4 B7R0.1 C(CCCO)CCO HEZ [0,0,0,0,0,0|2,0,0]=2 5 B7R0.1 C(CSSCCO)O HED [0,0,0,0,0,0|2,1,0]=3 6 B7R0.1 CCCCCCC#N CNX [0,0,0,0,0,0|2,0,1]=3 7 B7R0.1 CCCCCCCC OCT [0,0,0,0,0,0|2,0,0]=2 8 B7R0.1 CCCCCCCO HE4 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.1 CCCSSCCC SSP [0,0,0,0,0,0|2,1,0]=3 10 B7R0.1 COCCOCCO PG0 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.6 C(CCN)CCN N2P [1,0,0,0,0,0|2,0,0]=3 12 B6R0.6 C(CCNN)CN 01H [1,0,0,0,0,0|3,0,0]=4 13 B6R0.6 C(CCO)CC=O GAQ [1,0,0,0,0,0|1,0,1]=3 14 B6R0.6 C(COCC=O)O 1KA [1,0,0,0,0,0|1,0,1]=3 15 B6R0.6 C(COCCO)O PEG [1,0,0,0,0,0|1,0,0]=2 16 B6R0.6 CCCCCCC HP6 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.6 CCCCCCO HE2 [1,0,0,0,0,0|0,0,0]=1 18 B6R0.6 CCCCNC=O YIV [1,0,0,0,0,0|1,0,2]=4 19 B6R0.6 CCCSCCO 266 [1,0,0,0,0,0|0,1,0]=2 20 B8R0.4 C(CCNCCN)CN P24 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.4 C(CN)CNCCCN NSD [0,1,0,0,0,0|3,0,0]=4 22 B8R0.4 CCCCCCCC=O OYA [0,1,0,0,0,0|1,0,1]=3 23 B8R0.4 CCCCCCCCC DD9 [0,1,0,0,0,0|2,0,0]=3 24 B8R0.4 CCCCCCCCO OC9 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.4 CCOCCOCCO AE3 [0,1,0,0,0,0|0,0,0]=1 26 B8R0.4 COCCOCCOC M2M [0,1,0,0,0,0|1,0,0]=2 27 B8R0.6 C(CCN)C[C@@H](CO)N LYJ [0,1,0,0,0,0|2,0,0]=3 28 B8R0.6 CCCCC[C@@H](C=C)O 3OM [0,1,0,0,0,0|2,0,1]=4 29 B8R0.6 CCCCC[C@H](C=C)O 3OL [0,1,0,0,0,0|2,0,1]=4 30 B8R0.6 CCCCNC(=N)NO BHH [0,1,0,0,0,0|2,0,1]=4 31 B8R0.7 C(CCC(=O)O)CCN ACA [0,1,0,0,0,0|2,0,1]=4 32 B8R0.7 C(CCC(=O)O)CCN AHA [0,1,0,0,0,0|2,0,1]=4 33 B8R0.7 C(CCNC(O)O)CN N2H [0,1,0,0,0,0|3,0,0]=4 34 B8R0.7 CC(C)CCCCCO MHN [0,1,0,0,0,0|1,0,0]=2 35 B8R0.7 CCCCCCC(=O)N HPN [0,1,0,0,0,0|1,0,2]=4 36 B8R0.7 CCCCCCC(=O)O SHV [0,1,0,0,0,0|1,0,1]=3 37 B8R0.7 CCCCCC[N+](=O)[O-] N6C [0,1,0,0,0,0|2,0,1]=4 38 B8R1.2 C1CCC(CC1)C[NH3+] AMC [0,0,0,1,0,0|2,0,0]=3 39 B8R1.2 CCC1CCNCC1 EPI [0,0,0,1,0,0|3,0,0]=4 40 B8R1.2 CC[C@H]1CCCCN1 2EP [0,0,0,1,0,0|2,0,0]=3 41 B8R1.2 [C-]#[N+]C1CCCCC1 CYI [0,0,0,1,0,0|3,0,0]=4 42 B8R1.5 C1CC[C@@H]([C@H](C1)O)O 3ZQ [0,0,0,1,0,0|2,0,0]=3 43 B8R1.5 C1CC[C@H]([C@@H](C1)N)N DNH [0,0,0,1,0,0|3,0,0]=4 44 B8R1.5 C1CC[C@H]([C@@H](C1)O)O 40O [0,0,0,1,0,0|2,0,0]=3 45 B8R1.5 C1CNC[C@H]([C@@H]1O)O XIF [0,0,0,1,0,0|2,0,0]=3 46 B8R1.5 C1[C@@H]([C@H](CSS1)O)O DTD [0,0,0,1,0,0|2,1,0]=4 47 B8R1.5 C1[C@H]([C@@H](CSS1)O)O D1D [0,0,0,1,0,0|2,1,0]=4 48 B8R1.5 C[C@H]1CCCC[C@@H]1O 4DX [0,0,0,1,0,0|1,0,0]=2 49 B8R1.11 C1=CO[C@H]([C@@H]1O)CO R2G [0,0,0,1,0,0|1,0,2]=4 50 B8R1.22 C1CCC(=O)OCC1 ECE [0,0,0,1,0,0|2,0,1]=4 51 B8R1.22 C1CCCC(CC1)N SZ1 [0,0,0,1,0,0|2,0,0]=3 52 B5R0.2 C(CCN)CN PUT [2,0,0,0,0,0|2,0,0]=4 53 B5R0.2 C(CCO)CO BU1 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.2 C(CCO)C[NH3+] 4HA [2,0,0,0,0,0|1,0,0]=3 55 B5R0.2 C(CN)CON XAP [2,0,0,0,0,0|2,0,0]=4 56 B5R0.2 CCC/C=N\O BXO [2,0,0,0,0,0|1,0,1]=4 57 B5R0.2 CCCCC=O PTL [2,0,0,0,0,0|0,0,2]=4 58 B5R0.2 CCCCCBr 5BR [2,0,0,0,0,0|1,0,0]=3 59 B5R0.2 CCCCCC HEX [2,0,0,0,0,0|0,0,0]=2 60 B5R0.2 CCCCCCl 7CL [2,0,0,0,0,0|1,0,0]=3 61 B5R0.2 CCCCCN AML [2,0,0,0,0,0|1,0,0]=3 62 B5R0.2 CCCCCO PE9 [2,0,0,0,0,0|0,0,0]=2 63 B5R0.2 CCCC[N+]#[C-] NBN [2,0,0,0,0,0|1,0,1]=4 64 B5R0.2 CCOCCO ETX [2,0,0,0,0,0|0,0,0]=2 65 B5R0.2 CNCCCN N3D [2,0,0,0,0,0|2,0,0]=4 66 B5R0.2 COCCOC DXE [2,0,0,0,0,0|1,0,0]=3 67 B7R0.3 C(C[C@@H](CO)O)CO XXD [1,1,0,0,0,0|1,0,0]=3 68 B7R0.3 C=CCC[C@@H](CO)O 217 [1,1,0,0,0,0|0,0,2]=4 69 B7R0.3 CCCC[C@@H](C=O)N LYW [1,1,0,0,0,0|0,0,2]=4 70 B7R0.3 CCCC[C@@H](CO)N 2AO [1,1,0,0,0,0|0,0,0]=2 71 B7R0.3 CCCC[C@@H](CO)O 0RE [1,1,0,0,0,0|0,0,0]=2 72 B7R0.3 CCCC[C@H](CO)O 7FB [1,1,0,0,0,0|0,0,0]=2 73 B7R0.4 C(CCO)CC(=O)O SHO [1,1,0,0,0,0|1,0,1]=4 74 B7R0.4 C(CC[NH3+])CC(=O)O DAV [1,1,0,0,0,0|1,0,1]=4 75 B7R0.4 C(COCC(=O)O)O VKC [1,1,0,0,0,0|1,0,1]=4 76 B7R0.4 CCCCCC(=O)C HTX [1,1,0,0,0,0|0,0,2]=4 77 B7R0.4 CCCCCC(=O)O 6NA [1,1,0,0,0,0|0,0,1]=3 78 B7R0.4 CCCCOC(=O)C 8JZ [1,1,0,0,0,0|0,0,1]=3 79 B7R0.4 CCOCC[P@H](=O)[O-] BR5 [1,1,0,0,0,0|2,0,0]=4 80 B7R0.7 CC(CCO)CCO 40S [1,1,0,0,0,0|1,0,0]=3 81 B7R0.7 CCOP(=O)OCC DEP [1,1,0,0,0,0|2,0,0]=4 82 B9R0.4 CCCCC(=O)CC(=O)O BKA [0,2,0,0,0,0|1,0,1]=4 83 B9R0.5 C[C@H](COCCO)OCO 60A [0,2,0,0,0,0|1,0,0]=3 84 B9R0.8 CCCC[C@@H]([C@@H](CO)O)O HT3 [0,2,0,0,0,0|1,0,0]=3 85 B9R0.8 CCCC[C@H]([C@@H](CO)O)O HTO [0,2,0,0,0,0|1,0,0]=3 86 B9R0.8 CCCC[C@H]([C@H](CO)O)O HTH [0,2,0,0,0,0|1,0,0]=3 87 B9R0.2 C(CCCN)CCC(=O)O 011 [0,2,0,0,0,0|1,0,1]=4 88 B9R0.2 C(CCNCC(=O)O)CN NLY [0,2,0,0,0,0|1,0,1]=4 89 B9R0.2 CCCCCCCC(=O)O OCA [0,2,0,0,0,0|1,0,0]=3 90 B9R0.45 C(CCCCN)CCCN DIA [0,2,0,0,0,0|2,0,0]=4 91 B9R0.45 C(CCCCO)CCCO ODI [0,2,0,0,0,0|1,0,0]=3 92 B9R0.45 C(CCNCCCN)CN SPD [0,2,0,0,0,0|2,0,0]=4 93 B9R0.45 C(CNCCNCCN)N 104 [0,2,0,0,0,0|2,0,0]=4 94 B9R0.45 C(COCCOCCO)O PGE [0,2,0,0,0,0|0,0,0]=2 95 B9R0.45 C(COCCOCCO)O PIG [0,2,0,0,0,0|0,0,0]=2 96 B9R0.45 CCCCCCCCCC D10 [0,2,0,0,0,0|2,0,0]=4 97 B9R0.45 CCCCCCCCCO F09 [0,2,0,0,0,0|1,0,0]=3 98 B9R0.45 CCCCCCCNC=O HPL [0,2,0,0,0,0|1,0,1]=4 99 B9R0.45 CCCCCONCC=O AOP [0,2,0,0,0,0|0,0,2]=4 100 B9R0.45 CCOCCOCCOC ME2 [0,2,0,0,0,0|0,0,0]=2 101 B9R0.46 C(CN)CSC[C@@H](CO)N BPE [0,2,0,0,0,0|1,1,0]=4 102 B9R0.47 C(CCN)C[C@@H](C(O)O)N LYK [0,2,0,0,0,0|2,0,0]=4 103 B9R0.47 CCCCC[C@@H](C(=O)O)N AHP [0,2,0,0,0,0|1,0,1]=4 104 B9R0.38 [B-](CCCCCC)(O)(O)O 3QJ [0,2,0,0,0,0|2,0,0]=4 105 B9R0.55 CC(C)CCCCC(=O)O 6F5 [0,2,0,0,0,0|1,0,1]=4 106 B7R1.1 C1C[C@H](NC1)CN P2Y [1,0,0,1,0,0|2,0,0]=4 107 B7R1.3 C1CCC(=O)CC1 CYH [1,0,0,1,0,0|0,0,2]=4 108 B7R1.3 C1CCC(CC1)O CXL [1,0,0,1,0,0|0,0,0]=2 109 B7R1.3 C1CCC(CC1)[NH3+] HAI [1,0,0,1,0,0|1,0,0]=3 110 B7R1.4 C1C[C@H]([C@H](C1)O)O 17Y [1,0,0,1,0,0|1,0,0]=3 111 B7R1.7 CCCC[C@@H]1CO1 0PZ [1,0,0,1,0,0|0,0,0]=2 112 B9R1.8 C1COCCN1CCN EMR [0,1,0,1,0,0|2,0,0]=4 113 B9R1.12 COCC[C@@H]1CCCN1 49F [0,1,0,1,0,0|2,0,0]=4 114 B9R1.22 C1[C@@H]([C@H](O[C@H]1O)CO)O 2DR [0,1,0,1,0,0|1,0,0]=3 115 B9R1.69 C[C@@H]1[C@H](CC[C@@H](O1)O)O CDR [0,1,0,1,0,0|2,0,0]=4 116 B9R1.1 C1CC(CCC1CN)N CHN [0,1,0,1,0,0|2,0,0]=4 117 B9R1.1 C1CC(CCC1CO)O HB0 [0,1,0,1,0,0|1,0,0]=3 118 B9R1.3 C1[C@H](C([C@H](CN1)O)O)O XDN [0,1,0,1,0,0|2,0,0]=4 119 B9R1.3 C1[C@H]([C@@H]([C@H](CO1)F)O)O DFX [0,1,0,1,0,0|1,0,0]=3 120 B9R1.3 C[C@H]1CCC[C@H]([C@@H]1O)O Q6Z [0,1,0,1,0,0|1,0,0]=3 121 B9R1.11 C1C[C@H](NC1)[C@H](CO)O TPK [0,1,0,1,0,0|2,0,0]=4 122 B9R1.132 C1[C@@H]([C@@H]([C@H](N1)CO)O)O IMR [0,1,0,1,0,0|2,0,0]=4 123 B9R1.132 C1[C@@H]([C@@H]([C@H](O1)CO)O)O R1X [0,1,0,1,0,0|1,0,0]=3 124 B9R1.132 C1[C@@H]([C@H]([C@@H](N1)CO)O)O EDG [0,1,0,1,0,0|2,0,0]=4 125 B9R1.132 C1[C@H]([C@@H]([C@H](N1)CO)O)O 1AB [0,1,0,1,0,0|2,0,0]=4 126 B9R1.132 C1[C@H]([C@H]([C@H](N1)CO)O)O LDU [0,1,0,1,0,0|2,0,0]=4 127 B9R1.6 C1CCN[C@@H](C1)C(=O)O YCP [0,1,0,1,0,0|1,0,1]=4 128 B9R1.6 C1CCN[C@H](C1)C(=O)O CPI [0,1,0,1,0,0|1,0,1]=4 129 B9R1.13 C1CCC(C1)CC(=O)O 0PA [0,1,0,1,0,0|1,0,1]=4 130 B9R1.85 C1CC1CNCC(=O)O NMC [0,1,0,1,0,0|1,0,1]=4