0 B6R0.3 C(C(=O)C(=O)O)Br BPV [0,0,0,0,0,0|4,0,0]=4 1 B6R0.3 C(C(=O)C(=O)O)F 65S [0,0,0,0,0,0|4,0,0]=4 2 B6R0.3 C(C(=O)C(=O)O)O 3PY [0,0,0,0,0,0|4,0,0]=4 3 B6R0.3 C/C=C(/C(=O)O)\N DBU [0,0,0,0,0,0|4,0,0]=4 4 B6R0.3 C=CC(=O)C(=C)N 6R3 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.3 CCC(=O)C(=O)O 2KT [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 CNC(=C)C(=O)O DAM [0,0,0,0,0,0|4,0,0]=4 7 B6R0.3 C[C@@H](C(=O)NC)N 0NC [0,0,0,0,0,0|2,0,1]=3 8 B6R0.3 C[C@@H](C(=O)NO)N HMA [0,0,0,0,0,0|3,0,1]=4 9 B6R0.3 C[C@@H](C(=O)OC)N MA [0,0,0,0,0,0|1,0,1]=2 10 B6R0.3 C\C=C(\C)/C(=O)O MB8 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.1 CC=CC(=O)O BEO [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 CCCC(=O)C PNH [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CCOC(=O)C EEE [1,0,0,0,0,0|3,0,0]=4 14 B5R0.3 CNC(=O)NC MMU [1,0,0,0,0,0|2,0,0]=3 15 B5R0.3 COC(=O)CN MEU [1,0,0,0,0,0|1,0,1]=3 16 B5R0.5 C(=O)(C(=O)O)N OXM [1,0,0,0,0,0|2,0,0]=3 17 B5R0.5 C(=O)(C(=O)O)O OXD [1,0,0,0,0,0|2,0,0]=3 18 B5R0.5 C(=O)(C(=O)[O-])[O-] OXL [1,0,0,0,0,0|2,0,1]=4 19 B5R0.5 C(C(=O)O)(Cl)Cl TF4 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.5 C=C(C(=O)N)N PYT [1,0,0,0,0,0|2,0,0]=3 21 B5R0.5 C=C(C(=O)O)N DHA [1,0,0,0,0,0|1,0,0]=2 22 B5R0.5 CC(=O)C(=O)N PYM [1,0,0,0,0,0|2,0,0]=3 23 B5R0.5 CC(=O)C(=O)O PYR [1,0,0,0,0,0|1,0,0]=2 24 B5R0.5 CC(=O)N(C)C 5Y9 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.5 CC(=[NH2+])C(=O)[O-] NAK [1,0,0,0,0,0|1,0,1]=3 26 B5R0.5 CC(C)C(=O)N IBO [1,0,0,0,0,0|1,0,2]=4 27 B5R0.5 CC(C)C(=O)O ALQ [1,0,0,0,0,0|0,0,2]=3 28 B5R0.5 CC(C)C(=O)O ISB [1,0,0,0,0,0|0,0,2]=3 29 B5R0.5 C[C@@H](C(=O)C)N ALM [1,0,0,0,0,0|1,0,1]=3 30 B5R0.5 C[C@@H](C(=O)C)O HBS [1,0,0,0,0,0|1,0,1]=3 31 B5R0.5 C[C@@H](C(=O)N)N 66N [1,0,0,0,0,0|2,0,1]=4 32 B5R0.5 C[C@@H](C(=O)O)Cl CNR [1,0,0,0,0,0|1,0,1]=3 33 B5R0.5 C[C@@H](C(=O)O)N ALA [1,0,0,0,0,0|1,0,1]=3 34 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [1,0,0,0,0,0|1,0,1]=3 35 B5R0.5 C[C@@H](C(=O)O)O 2OP [1,0,0,0,0,0|1,0,1]=3 36 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [1,0,0,0,0,0|1,0,1]=3 37 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [1,0,0,0,0,0|1,0,2]=4 39 B5R0.5 C[C@@H](C(=S)O)N ALT [1,0,0,0,0,0|1,1,1]=4 40 B5R0.5 C[C@H](C(=O)C)O HBR [1,0,0,0,0,0|1,0,1]=3 41 B5R0.5 C[C@H](C(=O)O)F 4LT [1,0,0,0,0,0|1,0,1]=3 42 B5R0.5 C[C@H](C(=O)O)N DAL [1,0,0,0,0,0|1,0,1]=3 43 B5R0.5 C[C@H](C(=O)O)O DLA [1,0,0,0,0,0|1,0,1]=3 44 B5R0.5 C[C@H](C(=O)O)O LAC [1,0,0,0,0,0|1,0,1]=3 45 B5R0.5 [C@H](C(=O)O)(N)O HGY [1,0,0,0,0,0|2,0,1]=4 46 B7R0.5 C(CO)C(=O)C(=O)O VGX [0,1,0,0,0,0|3,0,0]=4 47 B7R0.5 C/C=C\C(=O)C(=O)O OXP [0,1,0,0,0,0|3,0,0]=4 48 B7R0.5 CCCC(=O)C(=O)O 69O [0,1,0,0,0,0|3,0,0]=4 49 B7R0.5 CCO[P@H](=O)N(C)C NTJ [0,1,0,0,0,0|2,0,1]=4 50 B7R0.10 COC(=O)C(=C)CO 23W [0,1,0,0,0,0|0,0,0]=1 51 B7R0.10 COC(=O)[C@H](CO)N 5R5 [0,1,0,0,0,0|1,0,1]=3 52 B7R0.10 COC(=O)[C@H](CS)N CMT [0,1,0,0,0,0|1,0,1]=3 53 B7R0.13 CC(=O)[P@](=O)(O)OC ALU [0,1,0,0,0,0|2,0,0]=3 54 B7R0.14 CC(C)(C)C(=O)NC BAE [0,1,0,0,0,0|1,0,2]=4 55 B7R0.16 CC(C)C(=O)C(=O)O KIV [0,1,0,0,0,0|3,0,0]=4 56 B7R1.4 C1COC(=O)[C@H]1N HSL [0,0,0,1,0,0|1,0,1]=3 57 B7R1.4 CN1CCCC1=O MB3 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.4 CN1CCOC1=O 3MO [0,0,0,1,0,0|1,0,1]=3 59 B4R0.1 C(=O)C(=O)O GLV [2,0,0,0,0,0|1,0,0]=3 60 B4R0.1 C(C(=O)O)Br BRM [2,0,0,0,0,0|1,0,1]=4 61 B4R0.1 C(C(=O)O)Br BXA [2,0,0,0,0,0|1,0,1]=4 62 B4R0.1 C(C(=O)O)Cl R3W [2,0,0,0,0,0|1,0,1]=4 63 B4R0.1 C(C(=O)O)F FAH [2,0,0,0,0,0|1,0,1]=4 64 B4R0.1 C(C(=O)O)I 04E [2,0,0,0,0,0|1,0,1]=4 65 B4R0.1 C(C(=O)O)N GLY [2,0,0,0,0,0|1,0,1]=4 66 B4R0.1 C(C(=O)O)N GLY_LFOH [2,0,0,0,0,0|1,0,1]=4 67 B4R0.1 C(C(=O)O)O GOA [2,0,0,0,0,0|1,0,1]=4 68 B4R0.1 C(C(=O)O)S MCR [2,0,0,0,0,0|1,0,1]=4 69 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [2,0,0,0,0,0|1,0,1]=4 70 B4R0.1 C=C(CO)Br BRP [2,0,0,0,0,0|1,0,1]=4 71 B4R0.1 C=CC(=O)N 1HC [2,0,0,0,0,0|1,0,0]=3 72 B4R0.1 C=CC(=O)O AKR [2,0,0,0,0,0|0,0,0]=2 73 B4R0.1 CC(=C)C=C 61G [2,0,0,0,0,0|0,0,1]=3 74 B4R0.1 CC(=C)CN IRS [2,0,0,0,0,0|1,0,1]=4 75 B4R0.1 CC(=O)C=O PVL [2,0,0,0,0,0|1,0,0]=3 76 B4R0.1 CC(=O)CCl ATO [2,0,0,0,0,0|1,0,1]=4 77 B4R0.1 CC(=O)CN GCM [2,0,0,0,0,0|1,0,1]=4 78 B4R0.1 CC(=O)CN GLM [2,0,0,0,0,0|1,0,1]=4 79 B4R0.1 CC(=O)CO 4Y8 [2,0,0,0,0,0|1,0,1]=4 80 B4R0.1 CC(=O)NC NML [2,0,0,0,0,0|1,0,0]=3 81 B4R0.1 CC(=O)NO HAE [2,0,0,0,0,0|2,0,0]=4 82 B4R0.1 CC(=O)OO F50 [2,0,0,0,0,0|1,0,0]=3 83 B4R0.1 CC(=O)O[Hg+] MAC [2,0,0,0,0,0|1,0,0]=3 84 B4R0.1 CC(C)C=O 5OZ [2,0,0,0,0,0|0,0,2]=4 85 B4R0.1 CC=C(C)C 2MB [2,0,0,0,0,0|0,0,1]=3 86 B4R0.1 CCC(=O)N ROP [2,0,0,0,0,0|1,0,1]=4 87 B4R0.1 CCC(=O)O PPI [2,0,0,0,0,0|0,0,1]=3 88 B4R0.1 CN(C)C=O DMF [2,0,0,0,0,0|1,0,1]=4 89 B4R0.1 CNC(=O)N NMU [2,0,0,0,0,0|2,0,0]=4 90 B4R0.1 CNC(=O)O RGI [2,0,0,0,0,0|1,0,0]=3 91 B4R0.1 COC(=O)O 000 [2,0,0,0,0,0|1,0,0]=3 92 B4R0.1 C[C@@H](C=O)N 5XU [2,0,0,0,0,0|1,0,1]=4 93 B4R0.2 C/C=C/C=O CRD [2,0,0,0,0,0|2,0,0]=4 94 B6R0.7 CC(C)(C(=O)O)Br B2P [1,1,0,0,0,0|0,0,2]=4 95 B6R0.7 CC(C)(C(=O)O)N AIB [1,1,0,0,0,0|0,0,2]=4 96 B6R0.7 CC(C)(C)C(=O)O PIV [1,1,0,0,0,0|0,0,2]=4 97 B8R0.2 CC(C)[C@@H](C(=O)OC)N 0AA [0,1,0,0,0,1|0,0,2]=4 98 B8R0.2 CC(C)[C@@H](C(=O)OC)N VME [0,1,0,0,0,1|0,0,2]=4 99 B8R0.5 CCOC(=O)CC(=O)C EAC [0,1,0,0,0,1|1,0,0]=3 100 B8R0.19 N=C(/NC)\NC(=O)NC XRG [0,1,0,0,0,1|2,0,0]=4 101 B6R1.2 Cc1c[nH]nc1 4PZ [1,0,0,1,0,0|2,0,0]=4 102 B6R1.2 Cc1cc[nH]c1 5MP [1,0,0,1,0,0|1,0,1]=4 103 B8R1.4 C1CNC(=O)NC1=O DUC [0,0,0,1,0,1|2,0,0]=4 104 B8R1.5 C1CCC(=O)C(=O)C1 CXO [0,1,0,1,0,0|2,0,0]=4 105 B8R1.11 C1CC(=O)C(=C1)CO 3RN [0,1,0,1,0,0|1,0,0]=3 106 B8R1.50 CC1=C(C(=O)CO1)O 4XX [0,1,0,1,0,0|2,0,0]=4 107 B8R1.50 CN1C(=O)CCC1=O LCY [0,1,0,1,0,0|2,0,0]=4 108 B8R1.50 Cc1c(sc[n+]1C)C TMZ [0,1,0,1,0,0|2,0,0]=4 109 B8R0.9 COC(=O)CCC(=O)O MSU [0,0,0,0,0,2|2,0,0]=4