0 B8R1.22 C1CCC(=O)NCC1 ICC [0,0,0,0,0,0|0,0,0]=0 1 B8R1.22 C1CCC(=O)OCC1 ECE [0,0,0,0,0,0|1,0,0]=1 2 B8R1.22 C1CCCC(CC1)N SZ1 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 C(CCC=O)CCN DNL [0,0,1,0,0,0|0,0,0]=1 4 B7R0.1 C(CCCBr)CCO BHL [0,0,1,0,0,0|1,0,2]=4 5 B7R0.1 C(CCCN)CCN 16D [0,0,1,0,0,0|1,0,1]=3 6 B7R0.1 C(CCCO)CCN 6AH [0,0,1,0,0,0|0,0,2]=3 7 B7R0.1 C(CCCO)CCO HEZ [0,0,1,0,0,0|1,0,2]=4 8 B7R0.1 CCCCCCC#N CNX [0,0,1,0,0,0|2,0,1]=4 9 B7R0.1 CCCCCCCC OCT [0,0,1,0,0,0|2,0,1]=4 10 B7R0.1 CCCCCCCO HE4 [0,0,1,0,0,0|1,0,2]=4 11 B7R0.3 COC(=O)CCCN GVE [0,0,1,0,0,0|2,0,0]=3 12 B7R0.4 C(CCO)CC(=O)O SHO [0,0,1,0,0,0|2,0,0]=3 13 B7R0.4 C(CC[NH3+])CC(=O)O DAV [0,0,1,0,0,0|2,0,0]=3 14 B7R0.4 C(CNC(=[NH2+])N)CO PG3 [0,0,1,0,0,0|3,0,0]=4 15 B7R0.4 C(COCC(=O)O)O VKC [0,0,1,0,0,0|3,0,0]=4 16 B7R0.4 C(CSCC(=O)O)N ESD [0,0,1,0,0,0|3,0,0]=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|1,0,0]=2 19 B7R0.4 CCCCOC(=O)C 8JZ [0,0,1,0,0,0|1,0,0]=2 20 B7R0.4 CCOCC[P@H](=O)[O-] BR5 [0,0,1,0,0,0|3,0,0]=4 21 B7R0.7 CCOP(=O)OCC DEP [0,0,1,0,0,0|3,0,0]=4 22 B7R1.3 C1CC=CC(=O)C1 A2Q [0,0,0,0,1,0|0,0,2]=3 23 B7R1.3 C1CCC(=O)CC1 CYH [0,0,0,0,1,0|0,0,0]=1 24 B7R1.3 C1CCC(CC1)O CXL [0,0,0,0,1,0|0,0,2]=3 25 B7R1.3 C1CCC(CC1)[NH3+] HAI [0,0,0,0,1,0|1,0,1]=3 26 B7R1.3 C1CCNC(=N)C1 2IM [0,0,0,0,1,0|1,0,0]=2 27 B6R0.6 C(CC=N)CC=O ARN [1,0,1,0,0,0|0,0,2]=4 28 B6R0.6 C(CC=O)CC=O PTD [1,0,1,0,0,0|1,0,1]=4 29 B6R0.6 C(CCN)CCN N2P [1,0,1,0,0,0|1,0,0]=3 30 B6R0.6 C(CCNN)CN 01H [1,0,1,0,0,0|2,0,0]=4 31 B6R0.6 C(CCO)CC=O GAQ [1,0,1,0,0,0|1,0,0]=3 32 B6R0.6 C(COCC=O)O 1KA [1,0,1,0,0,0|2,0,0]=4 33 B6R0.6 CCCCCCC HP6 [1,0,1,0,0,0|1,0,1]=4 34 B6R0.6 CCCCCCO HE2 [1,0,1,0,0,0|0,0,2]=4 35 B6R0.6 CCCCNC=O YIV [1,0,1,0,0,0|0,0,0]=2 36 B6R0.1 CCC(=O)OCC CA1 [1,0,1,0,0,0|1,0,0]=3 37 B6R0.1 CCNC(=O)OC MEC [1,0,1,0,0,0|1,0,0]=3 38 B6R0.1 CCOC(=O)CN GEE [1,0,1,0,0,0|2,0,0]=4 39 B6R0.1 CCOC(=O)NC EMB [1,0,1,0,0,0|1,0,0]=3 40 B6R0.4 C(CC(=O)O)CBr 0A5 [1,0,1,0,0,0|2,0,0]=4 41 B6R0.4 C(CC(=O)O)CN ABU [1,0,1,0,0,0|2,0,0]=4 42 B6R0.4 CCCCC(=O)O LEA [1,0,1,0,0,0|1,0,0]=3 43 B6R0.4 CCCCC(=O)O PEI [1,0,1,0,0,0|1,0,0]=3 44 B6R0.4 CCCOC(=O)C 4PA [1,0,1,0,0,0|1,0,0]=3 45 B6R0.4 CCNCC(=O)O 2JC [1,0,1,0,0,0|2,0,0]=4 46 B8R0.4 C(CCNCCN)CN P24 [0,1,1,0,0,0|1,0,1]=4 47 B8R0.4 C(CN)CNCCCN NSD [0,1,1,0,0,0|1,0,1]=4 48 B8R0.4 CCCCCCCC=O OYA [0,1,1,0,0,0|1,0,0]=3 49 B8R0.6 C(CCN)C[C@@H](CO)N LYJ [0,1,1,0,0,0|0,0,2]=4 50 B8R0.6 C(CCN)C[C@@H]([C-]=O)[NH-] LYS_LL_DHZ3 [0,1,1,0,0,0|0,0,1]=3 51 B8R0.6 C(CCN)C[C@@H]([C-]=O)[NH3+] LYS_LSN3_DHZ3 [0,1,1,0,0,0|0,0,1]=3 52 B8R0.6 C(CC[NH3+])C[C@@H]([C-]=O)[NH-] LYS_LL [0,1,1,0,0,0|0,0,2]=4 53 B8R0.6 C(CC[NH3+])C[C@@H]([C-]=O)[NH3+] LYS_LSN3 [0,1,1,0,0,0|0,0,2]=4 54 B8R0.6 CCCCC[C@@H](C=C)O 3OM [0,1,1,0,0,0|2,0,0]=4 55 B8R0.6 CCCCC[C@H](C=C)O 3OL [0,1,1,0,0,0|2,0,0]=4 56 B8R0.7 C(CCC(=O)O)CCN ACA [0,1,1,0,0,0|0,0,0]=2 57 B8R0.7 C(CCC(=O)O)CCN AHA [0,1,1,0,0,0|0,0,0]=2 58 B8R0.7 C(CCNC(=N)N)CN AG2 [0,1,1,0,0,0|2,0,0]=4 59 B8R0.7 CCCCCCC(=O)N HPN [0,1,1,0,0,0|1,0,0]=3 60 B8R0.7 CCCCCCC(=O)O SHV [0,1,1,0,0,0|1,0,0]=3 61 B8R0.7 CCCCCC[N+](=O)[O-] N6C [0,1,1,0,0,0|2,0,0]=4 62 B8R0.21 CCCCO[P@@](=O)(C)O CVX [0,1,1,0,0,0|2,0,0]=4 63 B8R0.28 CC(=O)CCCC(=O)O 4AT [0,1,1,0,0,0|1,0,1]=4 64 B8R0.28 CC(C)CNCC(=O)O I4G [0,1,1,0,0,0|2,0,0]=4 65 B8R0.30 CCN[P@](=O)(O)OCC TN7 [0,1,1,0,0,0|2,0,0]=4 66 B8R1.2 C1CCC(CC1)C[NH3+] AMC [0,1,0,0,1,0|1,0,1]=4 67 B8R1.2 C1CCN(CC1)C=O FPI [0,1,0,0,1,0|1,0,0]=3 68 B8R1.2 C1CN(CCN1)C=O 1FP [0,1,0,0,1,0|2,0,0]=4 69 B8R1.2 CC[C@H]1CCCCN1 2EP [0,1,0,0,1,0|1,0,1]=4 70 B8R1.2 [C-]#[N+]C1CCCCC1 CYI [0,1,0,0,1,0|1,0,1]=4 71 B8R1.3 C1CC(CCC1N)O SZ3 [0,1,0,0,1,0|0,0,2]=4 72 B8R1.3 C1CC(CCC1O)O 71J [0,1,0,0,1,0|0,0,2]=4 73 B8R1.3 CC1CCC(CC1)N 2MH [0,1,0,0,1,0|1,0,1]=4 74 B8R1.3 CC1CCC(CC1)N 4JU [0,1,0,0,1,0|1,0,1]=4 75 B8R1.4 C1CNC(=O)NC1=O DUC [0,1,0,0,1,0|1,0,1]=4 76 B8R1.4 C[C@H]1CCNC(=C1)N 284 [0,1,0,0,1,0|1,0,1]=4 77 B8R1.5 C1CCC(=O)C(=O)C1 CXO [0,1,0,0,1,0|0,0,1]=3 78 B8R1.5 C1CC[C@@H]([C@H](C1)O)O 3ZQ [0,1,0,0,1,0|0,0,2]=4 79 B8R1.5 C1CC[C@H]([C@@H](C1)N)N DNH [0,1,0,0,1,0|1,0,1]=4 80 B8R1.5 C1CC[C@H]([C@@H](C1)O)O 40O [0,1,0,0,1,0|0,0,2]=4 81 B8R1.5 C1C[C@@H](C(=O)NC1)O XDL [0,1,0,0,1,0|0,0,0]=2 82 B8R1.5 C[C@H]1CCCC[C@@H]1O 4DX [0,1,0,0,1,0|0,0,2]=4 83 B8R1.1 C1CC(=O)N[C@@H]1C=O CGN [0,0,1,1,0,0|1,0,1]=4 84 B8R1.50 CN1C(=O)CCC1=O LCY [0,0,1,1,0,0|1,0,1]=4 85 B8R1.7 C1CCC(C1)C(=O)O IQ0 [0,0,1,1,0,0|1,0,0]=3 86 B8R1.7 C1C[C@@H](NC1)C(=O)N PR9 [0,0,1,1,0,0|1,0,0]=3 87 B8R1.7 C1C[C@@H](NC1)C(=O)O DPR [0,0,1,1,0,0|2,0,0]=4 88 B8R1.7 C1C[C@H](NC1)C(=O)N LPD [0,0,1,1,0,0|1,0,0]=3 89 B8R1.7 C1C[C@H](NC1)C(=O)O PRO [0,0,1,1,0,0|2,0,0]=4 90 B8R1.7 C1C[C@H](NC1)C(=O)O PRO_LFOH [0,0,1,1,0,0|2,0,0]=4 91 B8R1.7 C1C[C@H](OC1)C(=O)O TFB [0,0,1,1,0,0|2,0,0]=4 92 B8R1.7 C1C[C@H]([N-]C1)C(=O)O PRO_LEO2H [0,0,1,1,0,0|2,0,0]=4 93 B8R1.7 C1C[C@H]([N-]C1)C(=O)[O-] PRO_LEO2 [0,0,1,1,0,0|2,0,0]=4 94 B8R1.7 C1C[C@H]([NH2+]C1)C(=O)[O-] PRO_LFZW [0,0,1,1,0,0|2,0,0]=4 95 B8R1.7 N=C(/C1CCCC1)\N 273 [0,0,1,1,0,0|1,0,0]=3 96 B6R1.1 C1CCCCC1 CHX [1,0,0,0,1,0|0,0,1]=3 97 B6R1.1 C1CCNCC1 PIP [1,0,0,0,1,0|0,0,0]=2 98 B6R1.1 C1CCOCC1 PYE [1,0,0,0,1,0|1,0,0]=3 99 B6R1.1 C1CNCCN1 PZE [1,0,0,0,1,0|1,0,0]=3 100 B6R1.1 C1COCCN1 6LR [1,0,0,0,1,0|1,0,0]=3 101 B6R1.1 C1COCCO1 DIO [1,0,0,0,1,0|2,0,0]=4 102 B6R1.1 C1COCCO1 DOX [1,0,0,0,1,0|2,0,0]=4 103 B6R1.2 C1CC(=O)NC1 BAQ [0,0,0,0,2,0|0,0,0]=2 104 B6R1.2 C1CC(=O)OC1 GBL [0,0,0,0,2,0|1,0,0]=3 105 B6R1.2 C1CCC(=O)C1 MFW [0,0,0,0,2,0|0,0,0]=2 106 B6R1.2 C1CCC(C1)N 1CB [0,0,0,0,2,0|1,0,1]=4 107 B6R1.2 C1CCC(C1)O YEG [0,0,0,0,2,0|0,0,2]=4