0 B7R1.2 C1C(=O)NC(=O)N1 HYN [0,0,0,0,0,0|2,0,0]=2 1 B7R1.2 C1CC(=O)CC1=O CEJ [0,0,0,0,0,0|1,0,0]=1 2 B6R1.2 C1CC(=O)NC1 BAQ [1,0,0,0,0,0|1,0,1]=3 3 B6R1.2 C1CC(=O)OC1 GBL [1,0,0,0,0,0|0,0,1]=2 4 B6R1.2 C1CCC(=O)C1 MFW [1,0,0,0,0,0|1,0,1]=3 5 B8R1.1 C1CC(=O)N[C@@H]1C=O CGN [0,1,0,0,0,0|1,0,1]=3 6 B8R1.18 C1[C@@H](C(=O)NC1=O)N SNN [0,1,0,0,0,0|1,0,0]=2 7 B8R1.50 CC1=C(C(=O)CO1)O 4XX [0,1,0,0,0,0|3,0,0]=4 8 B8R1.50 CN1C(=O)CCC1=O LCY [0,1,0,0,0,0|1,0,0]=2 9 B6R0.1 CCC(=O)OCC CA1 [0,0,1,0,0,0|1,0,1]=3 10 B6R0.1 CCOC(=O)CN GEE [0,0,1,0,0,0|2,0,1]=4 11 B6R0.1 CCOC(=O)NC EMB [0,0,1,0,0,0|2,0,1]=4 12 B6R0.2 C(C(=O)N)C(=O)O MLM [0,0,1,0,0,0|3,0,0]=4 13 B6R0.2 C(C(=O)O)C(=O)Cl PR6 [0,0,1,0,0,0|3,0,0]=4 14 B6R0.2 C(C(=O)O)C(=O)O MLA [0,0,1,0,0,0|3,0,0]=4 15 B6R0.2 C(C(=O)[O-])C(=O)[O-] MLI [0,0,1,0,0,0|3,0,0]=4 16 B6R0.2 CC(=O)CC(=O)C P2D [0,0,1,0,0,0|1,0,0]=2 17 B6R0.2 CC(=O)CC(=O)O AAE [0,0,1,0,0,0|2,0,0]=3 18 B6R0.2 CC(=O)CC(=O)O LIN [0,0,1,0,0,0|2,0,0]=3 19 B6R0.4 C#CCCC(=O)O 54L [0,0,1,0,0,0|1,0,1]=3 20 B6R0.4 C(CC(=O)O)C=O SSN [0,0,1,0,0,0|0,0,0]=1 21 B6R0.4 C(CC(=O)O)CBr 0A5 [0,0,1,0,0,0|1,0,1]=3 22 B6R0.4 C(CC(=O)O)CN ABU [0,0,1,0,0,0|1,0,1]=3 23 B6R0.4 C(CSS)C(=O)O 3SS [0,0,1,0,0,0|1,1,0]=3 24 B6R0.4 CC(C)CCC=O MOP [0,0,1,0,0,0|2,0,1]=4 25 B6R0.4 CCCCC(=O)O LEA [0,0,1,0,0,0|1,0,1]=3 26 B6R0.4 CCCCC(=O)O PEI [0,0,1,0,0,0|1,0,1]=3 27 B6R0.4 CCNCC(=O)O 2JC [0,0,1,0,0,0|2,0,1]=4 28 B8R1.3 C1=CC(=O)C=CC1=O PLQ [0,0,0,0,0,1|1,0,2]=4 29 B8R1.4 C1=CNC(=O)NC1=O URA [0,0,0,0,0,1|1,0,2]=4 30 B8R1.4 C1CNC(=O)NC1=O DUC [0,0,0,0,0,1|1,0,0]=2 31 B5R0.1 C(C(=O)O)ON AOA [1,0,1,0,0,0|2,0,0]=4 32 B5R0.1 C(CN)C(=O)O BAL [1,0,1,0,0,0|1,0,0]=3 33 B5R0.1 C(CO)C(=O)O 3OH [1,0,1,0,0,0|0,0,1]=3 34 B5R0.1 C(CS)C(=O)O MPT [1,0,1,0,0,0|0,1,0]=3 35 B5R0.1 C(C[SeH])C(=O)O SLP [1,0,1,0,0,0|0,1,0]=3 36 B5R0.1 CC(=O)CCO BUQ [1,0,1,0,0,0|1,0,1]=4 37 B5R0.1 CC=CC(=O)O BEO [1,0,1,0,0,0|1,0,1]=4 38 B5R0.1 CCCC(=O)C PNH [1,0,1,0,0,0|1,0,1]=4 39 B5R0.1 CCCC(=O)N BMD [1,0,1,0,0,0|1,0,1]=4 40 B5R0.1 CCCC(=O)O BUA [1,0,1,0,0,0|0,0,1]=3 41 B5R0.1 CCOC(=O)C EEE [1,0,1,0,0,0|0,0,1]=3 42 B5R0.1 CCOC(=O)O 01F [1,0,1,0,0,0|1,0,1]=4 43 B5R0.1 CNCC(=O)O MGY [1,0,1,0,0,0|1,0,1]=4 44 B5R0.1 CNCC(=O)O SAR [1,0,1,0,0,0|1,0,1]=4 45 B5R0.1 C[C@H](CC=O)O 5KO [1,0,1,0,0,0|1,0,1]=4 46 B5R0.2 C(=CC=O)C=O 2FU [1,0,1,0,0,0|0,0,2]=4 47 B5R0.2 CCCCC=O PTL [1,0,1,0,0,0|1,0,1]=4 48 B5R0.3 COC(=O)CN MEU [1,0,1,0,0,0|1,0,1]=4 49 B5R1.1 C1CCOC1 FU1 [2,0,0,0,0,0|0,0,2]=4 50 B7R0.9 CC(=O)OP(=O)(O)O UVW [0,1,1,0,0,0|2,0,0]=4 51 B7R0.9 CC(=O)OS(=O)(=O)O AS8 [0,1,1,0,0,0|2,0,0]=4 52 B7R0.16 CC(=O)[C@@H](C(=O)O)N AKB [0,1,1,0,0,0|2,0,0]=4 53 B7R0.4 C(CCO)CC(=O)O SHO [0,1,1,0,0,0|0,0,2]=4 54 B7R0.4 C(CC[NH3+])CC(=O)O DAV [0,1,1,0,0,0|1,0,1]=4 55 B7R0.4 C(COCC(=O)O)O VKC [0,1,1,0,0,0|0,0,2]=4 56 B7R0.4 C(CSCC(=O)O)N ESD [0,1,1,0,0,0|1,0,1]=4 57 B7R0.4 C(\C=C\CN)C(=O)O FBE [0,1,1,0,0,0|1,0,1]=4 58 B7R0.4 CCCCCC(=O)O 6NA [0,1,1,0,0,0|1,0,1]=4 59 B7R0.6 C(=C\C(=O)O)/C(=O)O FUM [0,1,1,0,0,0|0,0,2]=4 60 B7R0.6 C(=C\C(=O)O)\C(=O)O MAE [0,1,1,0,0,0|0,0,2]=4 61 B7R0.6 C(CC(=O)O)C(=O)O SIN [0,1,1,0,0,0|0,0,0]=2 62 B7R0.6 C(C[N+](=O)[O-])C(=O)O 3NP [0,1,1,0,0,0|1,0,0]=3 63 B7R0.6 CC(=O)CCC(=O)O SHF [0,1,1,0,0,0|0,0,0]=2 64 B7R0.6 CC(=O)NCC(=O)O AAC [0,1,1,0,0,0|1,0,0]=3 65 B7R0.6 CC(C)CCC(=O)O 4MV [0,1,1,0,0,0|1,0,1]=4 66 B7R0.6 CS(C)CCC(=O)O DQY [0,1,1,0,0,0|2,0,0]=4 67 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [0,1,1,0,0,0|1,0,1]=4 68 B7R0.6 N=C(\N)/NCC(=O)O NMG [0,1,1,0,0,0|2,0,0]=4 69 B7R1.1 c1cc(oc1)C=O FU2 [1,1,0,0,0,0|0,0,2]=4 70 B7R1.4 C1COC(=O)[C@H]1N HSL [1,1,0,0,0,0|0,0,1]=3 71 B7R1.4 C1[C@H](C(=O)NO1)N 4AX [1,1,0,0,0,0|2,0,0]=4 72 B7R1.4 CN1CCCC1=O MB3 [1,1,0,0,0,0|1,0,1]=4 73 B7R1.4 CN1CCOC1=O 3MO [1,1,0,0,0,0|1,0,1]=4 74 B9R1.3 CC1C(=O)CCCC1=O 70V [0,1,0,0,0,1|1,0,0]=3 75 B9R1.34 C1C(=NC(=O)NC1=O)N 6UA [0,1,0,0,0,1|1,0,1]=4 76 B9R1.34 C1C(=O)NC(=O)NC1=O BR8 [0,1,0,0,0,1|1,0,1]=4 77 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O 5HP [0,2,0,0,0,0|1,0,1]=4 78 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O PCA [0,2,0,0,0,0|1,0,1]=4 79 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O PCC [0,2,0,0,0,0|1,0,1]=4 80 B9R1.27 CCN1C(=O)CCC1=O NEN [0,2,0,0,0,0|1,0,0]=3 81 B7R1.3 C1CC=CC(=O)C1 A2Q [0,0,1,1,0,0|2,0,0]=4 82 B7R1.18 C1CN[C@@H]1C(=O)O 02A [0,0,1,1,0,0|1,0,1]=4 83 B5R0.5 C(=O)(C(=O)O)N OXM [0,0,1,0,1,0|2,0,0]=4 84 B5R0.5 C(=O)(C(=O)O)O OXD [0,0,1,0,1,0|2,0,0]=4 85 B5R0.5 C(=O)(C(=O)[O-])[O-] OXL [0,0,1,0,1,0|2,0,0]=4 86 B5R0.5 CC(=O)C(=O)N PYM [0,0,1,0,1,0|1,0,0]=3 87 B5R0.5 CC(=O)C(=O)O PYR [0,0,1,0,1,0|1,0,0]=3 88 B5R0.5 CC(=O)N(C)C 5Y9 [0,0,1,0,1,0|2,0,0]=4 89 B5R0.5 CC(=[NH2+])C(=O)[O-] NAK [0,0,1,0,1,0|2,0,0]=4 90 B5R0.5 C[C@@H](C(=O)C)N ALM [0,0,1,0,1,0|1,0,1]=4 91 B5R0.5 C[C@@H](C(=O)C)O HBS [0,0,1,0,1,0|0,0,2]=4 92 B5R0.5 C[C@H](C(=O)C)O HBR [0,0,1,0,1,0|0,0,2]=4