0 B7R0.3 CCCC[C@@H](C=O)N LYW [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 CCCC[C@@H](CO)N 2AO [0,0,0,0,0,0|3,0,1]=4 2 B7R0.3 CCCC[C@@H](CO)O 0RE [0,0,0,0,0,0|2,0,2]=4 3 B7R0.3 CCCC[C@H](CO)O 7FB [0,0,0,0,0,0|2,0,2]=4 4 B7R0.3 COC(=O)CCCN GVE [0,0,0,0,0,0|1,0,0]=1 5 B6R0.1 CCC(=O)OCC CA1 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.1 CCNC(=O)OC MEC [1,0,0,0,0,0|1,0,0]=2 7 B6R0.1 CCOC(=O)CN GEE [1,0,0,0,0,0|3,0,0]=4 8 B6R0.1 CCOC(=O)NC EMB [1,0,0,0,0,0|2,0,0]=3 9 B6R0.4 B(CCCC)(O)O BUB [1,0,0,0,0,0|1,0,1]=3 10 B6R0.4 C#CCCC(=O)O 54L [1,0,0,0,0,0|0,0,2]=3 11 B6R0.4 C(CC(=O)O)C=O SSN [1,0,0,0,0,0|1,0,1]=3 12 B6R0.4 C(CC(=O)O)CBr 0A5 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.4 C(CC(=O)O)CN ABU [1,0,0,0,0,0|1,0,0]=2 14 B6R0.4 C(CSS)C(=O)O 3SS [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 CCCCC(=O)O LEA [1,0,0,0,0,0|0,0,0]=1 16 B6R0.4 CCCCC(=O)O PEI [1,0,0,0,0,0|0,0,0]=1 17 B6R0.4 CCCOC(=O)C 4PA [1,0,0,0,0,0|1,0,0]=2 18 B6R0.4 CCNCC(=O)O 2JC [1,0,0,0,0,0|1,0,0]=2 19 B6R0.4 CN(C)CCCN DIB [1,0,0,0,0,0|3,0,0]=4 20 B6R0.6 CCCCCCC HP6 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.6 CCCCCCO HE2 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.6 CCCCNC=O YIV [1,0,0,0,0,0|3,0,0]=4 23 B8R0.6 C(CCN)CC(=O)NO 5XA [0,1,0,0,0,0|2,0,0]=3 24 B8R0.6 CCCCNC(=N)NO BHH [0,1,0,0,0,0|3,0,0]=4 25 B8R0.8 CSCCC(=O)C(=O)O KMT [0,1,0,0,0,0|3,0,0]=4 26 B8R0.9 COC(=O)CCC(=O)O MSU [0,1,0,0,0,0|1,0,1]=3 27 B8R0.11 CCCC[C@H](CC)CO 2EH [0,1,0,0,0,0|1,0,2]=4 28 B8R1.2 CC[C@H]1CCCCN1 2EP [0,0,0,1,0,0|2,0,1]=4 29 B8R1.3 CC1CCC(CC1)N 2MH [0,0,0,1,0,0|2,0,1]=4 30 B8R1.3 CC1CCC(CC1)N 4JU [0,0,0,1,0,0|2,0,1]=4 31 B8R1.5 C1CCC(=O)C(=O)C1 CXO [0,0,0,1,0,0|2,0,0]=3 32 B8R1.5 C1C[C@@H](C(=O)NC1)O XDL [0,0,0,1,0,0|3,0,0]=4 33 B8R1.5 C[C@H]1CCCC[C@@H]1O 4DX [0,0,0,1,0,0|1,0,2]=4 34 B8R1.22 C1CCC(=O)NCC1 ICC [0,0,0,1,0,0|1,0,0]=2 35 B8R1.22 C1CCC(=O)OCC1 ECE [0,0,0,1,0,0|0,0,0]=1 36 B8R1.22 C1CCCC(CC1)N SZ1 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.50 CN1C(=O)CCC1=O LCY [0,0,0,1,0,0|2,0,1]=4 38 B5R0.1 C(C(=O)O)ON AOA [2,0,0,0,0,0|2,0,0]=4 39 B5R0.1 C(CN)C(=O)O BAL [2,0,0,0,0,0|1,0,0]=3 40 B5R0.1 C(CO)C(=O)O 3OH [2,0,0,0,0,0|1,0,0]=3 41 B5R0.1 C(CS)C(=O)O MPT [2,0,0,0,0,0|1,0,0]=3 42 B5R0.1 C(C[SeH])C(=O)O SLP [2,0,0,0,0,0|1,0,0]=3 43 B5R0.1 CC(=O)CCO BUQ [2,0,0,0,0,0|1,0,0]=3 44 B5R0.1 CC=CC(=O)O BEO [2,0,0,0,0,0|0,0,2]=4 45 B5R0.1 CCCC(=O)C PNH [2,0,0,0,0,0|0,0,0]=2 46 B5R0.1 CCCC(=O)N BMD [2,0,0,0,0,0|1,0,0]=3 47 B5R0.1 CCCC(=O)O BUA [2,0,0,0,0,0|0,0,0]=2 48 B5R0.1 CCC[N+](=O)[O-] N1P [2,0,0,0,0,0|1,0,1]=4 49 B5R0.1 CCOC(=O)C EEE [2,0,0,0,0,0|1,0,0]=3 50 B5R0.1 CCOC(=O)O 01F [2,0,0,0,0,0|1,0,0]=3 51 B5R0.1 CCO[P@H](=O)O ATJ [2,0,0,0,0,0|2,0,0]=4 52 B5R0.1 CNCC(=O)O MGY [2,0,0,0,0,0|1,0,0]=3 53 B5R0.1 CNCC(=O)O SAR [2,0,0,0,0,0|1,0,0]=3 54 B5R0.1 CSCC(=O)[O-] MTG [2,0,0,0,0,0|1,0,1]=4 55 B5R0.1 CSC[S@@](=O)C DSS [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 C[Se]CC(=O)[O-] MSF [2,0,0,0,0,0|1,0,1]=4 57 B5R0.1 C[Te]CC(=O)[O-] MTD [2,0,0,0,0,0|1,0,1]=4 58 B5R0.2 C(CCO)CO BU1 [2,0,0,0,0,0|1,0,1]=4 59 B5R0.2 C(CCO)C[NH3+] 4HA [2,0,0,0,0,0|1,0,1]=4 60 B5R0.2 C(CCl)NC=O CEC [2,0,0,0,0,0|2,0,0]=4 61 B5R0.2 C(CN)CON XAP [2,0,0,0,0,0|2,0,0]=4 62 B5R0.2 CCC/C=N\O BXO [2,0,0,0,0,0|1,0,1]=4 63 B5R0.2 CCCCC=O PTL [2,0,0,0,0,0|0,0,0]=2 64 B5R0.2 CCCCCBr 5BR [2,0,0,0,0,0|1,0,1]=4 65 B5R0.2 CCCCCC HEX [2,0,0,0,0,0|0,0,1]=3 66 B5R0.2 CCCCCCl 7CL [2,0,0,0,0,0|1,0,1]=4 67 B5R0.2 CCCCCN AML [2,0,0,0,0,0|1,0,1]=4 68 B5R0.2 CCCCCO PE9 [2,0,0,0,0,0|0,0,1]=3 69 B5R0.2 CCCC[N+]#[C-] NBN [2,0,0,0,0,0|1,0,1]=4 70 B5R0.2 CCOCCO ETX [2,0,0,0,0,0|1,0,1]=4 71 B5R0.2 CNCCCN N3D [2,0,0,0,0,0|2,0,0]=4 72 B5R0.2 COCCOC DXE [2,0,0,0,0,0|1,0,0]=3 73 B5R0.3 CNC(=O)NC MMU [2,0,0,0,0,0|2,0,0]=4 74 B5R0.3 COC(=O)CN MEU [2,0,0,0,0,0|1,0,0]=3 75 B7R0.5 CCCC(=O)C(=O)O 69O [1,1,0,0,0,0|2,0,0]=4 76 B7R0.7 CCOP(=O)OCC DEP [1,1,0,0,0,0|2,0,0]=4 77 B7R0.10 COC(=O)C(=C)CO 23W [1,1,0,0,0,0|1,0,1]=4 78 B7R0.10 COC(=O)[C@H](CO)N 5R5 [1,1,0,0,0,0|1,0,0]=3 79 B7R0.10 COC(=O)[C@H](CS)N CMT [1,1,0,0,0,0|1,0,0]=3 80 B7R0.4 C(CCO)CC(=O)O SHO [1,1,0,0,0,0|0,0,0]=2 81 B7R0.4 C(CC[NH3+])CC(=O)O DAV [1,1,0,0,0,0|0,0,0]=2 82 B7R0.4 C(COCC(=O)O)O VKC [1,1,0,0,0,0|1,0,0]=3 83 B7R0.4 C(CSCC(=O)O)N ESD [1,1,0,0,0,0|1,0,0]=3 84 B7R0.4 C(\C=C\CN)C(=O)O FBE [1,1,0,0,0,0|0,0,2]=4 85 B7R0.4 CCCCCC(=O)C HTX [1,1,0,0,0,0|0,0,0]=2 86 B7R0.4 CCCCCC(=O)O 6NA [1,1,0,0,0,0|0,0,0]=2 87 B7R0.4 CCCCOC(=O)C 8JZ [1,1,0,0,0,0|0,0,0]=2 88 B7R0.4 CCOCC[P@H](=O)[O-] BR5 [1,1,0,0,0,0|1,0,1]=4 89 B7R0.6 C(CC(=O)O)C(=O)O SIN [1,1,0,0,0,0|1,0,1]=4 90 B7R0.6 C(C[N+](=O)[O-])C(=O)O 3NP [1,1,0,0,0,0|2,0,0]=4 91 B7R0.6 CC(=O)CCC(=O)O SHF [1,1,0,0,0,0|0,0,1]=3 92 B7R0.6 CC(=O)NCC(=O)O AAC [1,1,0,0,0,0|1,0,1]=4 93 B7R0.6 CC(C)CCC(=O)O 4MV [1,1,0,0,0,0|0,0,0]=2 94 B7R0.6 CC(C)COC(=O)O IBU [1,1,0,0,0,0|1,0,0]=3 95 B7R0.6 CC(C)NCC(=O)O IPG [1,1,0,0,0,0|1,0,0]=3 96 B7R0.6 CS(C)CCC(=O)O DQY [1,1,0,0,0,0|1,0,0]=3 97 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [1,1,0,0,0,0|0,0,0]=2 98 B7R0.6 C[C@H](CC[C@@H](C)O)O HX2 [1,1,0,0,0,0|0,0,2]=4 99 B7R0.8 C(CN)CS(=O)(=O)O A20 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.8 C(CO)CS(=O)(=O)O 54O [1,1,0,0,0,0|2,0,0]=4 101 B7R0.8 CCCCP(=O)(O)O CCP [1,1,0,0,0,0|1,0,0]=3 102 B7R0.1 CCCCCCCC OCT [1,1,0,0,0,0|1,0,1]=4 103 B7R0.1 CCCCCCCO HE4 [1,1,0,0,0,0|1,0,1]=4 104 B7R0.1 COCCOCCO PG0 [1,1,0,0,0,0|1,0,1]=4 105 B9R0.4 CCCCC(=O)CC(=O)O BKA [0,2,0,0,0,0|1,0,1]=4 106 B9R0.8 CCCC[C@@H](C(=O)OC)N NLO [0,2,0,0,0,0|0,0,0]=2 107 B9R0.66 CCCN[P@](=O)(O)OCC TC5 [0,2,0,0,0,0|2,0,0]=4 108 B9R0.23 CC(C)C[C@@H](C(=O)CO)N LEX [0,2,0,0,0,0|2,0,0]=4 109 B9R0.23 CC(C)C[C@@H](C(=O)NC)N LNM [0,2,0,0,0,0|1,0,0]=3 110 B9R0.23 CC(C)C[C@@H](C(=O)NO)N LNO [0,2,0,0,0,0|2,0,0]=4 111 B9R0.23 CC(C)C[C@@H](C(=O)OC)N MLL [0,2,0,0,0,0|0,0,0]=2 112 B9R0.27 CC[C@H](C)[C@@H](C(=O)OC)N ILM [0,2,0,0,0,0|0,0,0]=2 113 B9R0.46 C(CCC(=O)NO)CCN 6XA [0,2,0,0,0,0|2,0,0]=4 114 B9R0.47 CCCCNC(=O)[C@H](C)N UM2 [0,2,0,0,0,0|1,0,0]=3 115 B9R0.13 CCCC[C@H](C(=O)O)NC DNM [0,2,0,0,0,0|1,0,1]=4 116 B9R0.21 CCC(=O)CCC(C)(C)O LTL [0,2,0,0,0,0|1,0,0]=3 117 B7R1.3 C1CC=CC(=O)C1 A2Q [1,0,0,1,0,0|1,0,1]=4 118 B7R1.3 C1CCC(=O)CC1 CYH [1,0,0,1,0,0|1,0,0]=3 119 B7R1.3 C1CCNC(=N)C1 2IM [1,0,0,1,0,0|2,0,0]=4 120 B7R1.4 CN1CCCC1=O MB3 [1,0,0,1,0,0|1,0,0]=3 121 B7R1.4 CN1CCOC1=O 3MO [1,0,0,1,0,0|2,0,0]=4 122 B7R1.7 CCCC[C@@H]1CO1 0PZ [1,0,0,1,0,0|0,0,2]=4 123 B7R1.12 C[C@H]1[C@H](N1)C(=O)O 3K4 [1,0,0,1,0,0|1,0,0]=3 124 B7R1.18 C1CN[C@@H]1C(=O)O 02A [1,0,0,1,0,0|1,0,0]=3 125 B9R1.75 CCOC(=O)C[C@H]1CO1 IXW [0,1,0,1,0,0|1,0,0]=3 126 B9R1.3 CC1C(=O)CCCC1=O 70V [0,1,0,1,0,0|1,0,1]=4 127 B9R1.11 CNC(=O)[C@@H]1CCCN1 9PR [0,1,0,1,0,0|1,0,0]=3 128 B9R1.11 COC(=O)[C@@H]1CCCN1 PLJ [0,1,0,1,0,0|0,0,0]=2 129 B9R1.11 COC(=O)[C@H]1CCCN1 PDW [0,1,0,1,0,0|0,0,0]=2 130 B9R1.138 CC1(CCC(=O)N1C)C IP4 [0,1,0,1,0,0|1,0,0]=3 131 B9R2.39 C1C[C@@H]2C[C@H]1CC2=O NCM [0,0,0,2,0,0|1,0,0]=3