0 B6R0.6 C(CCN)CCN N2P [0,0,0,0,0,0|1,0,0]=1 1 B6R0.6 C(CCNN)CN 01H [0,0,0,0,0,0|2,0,0]=2 2 B6R0.6 C(CCO)CC=O GAQ [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C(COCC=O)O 1KA [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 C(COCCO)O PEG [0,0,0,0,0,0|3,0,0]=3 5 B6R0.6 CCCCCCC HP6 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.6 CCCCCCO HE2 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.6 CCCSCCO 266 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.2 C(CCN)CN PUT [1,0,0,0,0,0|0,0,0]=1 9 B5R0.2 C(CCO)CO BU1 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.2 C(CCO)C[NH3+] 4HA [1,0,0,0,0,0|1,0,1]=3 11 B5R0.2 C(CCl)NC=O CEC [1,0,0,0,0,0|2,0,1]=4 12 B5R0.2 C(CN)CON XAP [1,0,0,0,0,0|1,0,0]=2 13 B5R0.2 CCCCC=O PTL [1,0,0,0,0,0|2,0,1]=4 14 B5R0.2 CCCCCBr 5BR [1,0,0,0,0,0|2,0,0]=3 15 B5R0.2 CCCCCC HEX [1,0,0,0,0,0|2,0,0]=3 16 B5R0.2 CCCCCCl 7CL [1,0,0,0,0,0|2,0,0]=3 17 B5R0.2 CCCCCN AML [1,0,0,0,0,0|1,0,0]=2 18 B5R0.2 CCCCCO PE9 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.2 CCCC[N+]#[C-] NBN [1,0,0,0,0,0|3,0,0]=4 20 B5R0.2 CCOCCO ETX [1,0,0,0,0,0|2,0,0]=3 21 B5R0.2 CNCCCN N3D [1,0,0,0,0,0|2,0,0]=3 22 B7R0.1 C(CCC=O)CCN DNL [0,1,0,0,0,0|2,0,0]=3 23 B7R0.1 C(CCCBr)CCO BHL [0,1,0,0,0,0|3,0,0]=4 24 B7R0.1 C(CCCN)CCN 16D [0,1,0,0,0,0|1,0,0]=2 25 B7R0.1 C(CCCO)CCN 6AH [0,1,0,0,0,0|2,0,0]=3 26 B7R0.1 C(CCCO)CCO HEZ [0,1,0,0,0,0|3,0,0]=4 27 B7R0.1 C(CSSCCO)O HED [0,1,0,0,0,0|3,0,0]=4 28 B7R0.1 CCCCCCC#N CNX [0,1,0,0,0,0|2,0,1]=4 29 B7R0.1 CCCCCCCC OCT [0,1,0,0,0,0|3,0,0]=4 30 B7R0.1 CCCCCCCO HE4 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.1 CCCSSCCC SSP [0,1,0,0,0,0|3,0,0]=4 32 B7R0.1 COCCOCCO PG0 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.3 C(C[C@@H](CO)O)CO XXD [0,1,0,0,0,0|3,0,0]=4 34 B7R0.3 CCCC[C@@H](CO)N 2AO [0,1,0,0,0,0|3,0,0]=4 35 B7R0.3 CCCC[C@@H](CO)O 0RE [0,1,0,0,0,0|3,0,0]=4 36 B7R0.3 CCCC[C@H](CO)O 7FB [0,1,0,0,0,0|3,0,0]=4 37 B7R0.4 C(CSCC(=O)O)N ESD [0,1,0,0,0,0|2,0,1]=4 38 B7R0.7 CC(CCO)CCO 40S [0,1,0,0,0,0|3,0,0]=4 39 B7R1.1 C1C[C@H](NC1)C#N QEJ [0,0,0,1,0,0|1,0,2]=4 40 B7R1.1 C1C[C@H](NC1)C=O PRI [0,0,0,1,0,0|2,0,1]=4 41 B7R1.1 C1C[C@H](NC1)CN P2Y [0,0,0,1,0,0|1,0,0]=2 42 B7R1.3 C1CCC(CC1)O CXL [0,0,0,1,0,0|3,0,0]=4 43 B7R1.3 C1CCC(CC1)[NH3+] HAI [0,0,0,1,0,0|2,0,1]=4 44 B7R1.3 C1CCNC(=N)C1 2IM [0,0,0,1,0,0|1,0,2]=4 45 B7R1.3 C1C[C@H](CN=C1)N XBB [0,0,0,1,0,0|1,0,2]=4 46 B7R1.4 C1C[C@H]([C@H](C1)O)O 17Y [0,0,0,1,0,0|3,0,0]=4 47 B7R1.7 CCCC[C@@H]1CO1 0PZ [0,0,0,1,0,0|3,0,0]=4 48 B4R0.2 C(CCl)CCl 0CL [2,0,0,0,0,0|2,0,0]=4 49 B4R0.2 C(CN)CBr 4LJ [2,0,0,0,0,0|1,0,0]=3 50 B4R0.2 C(CN)CN 13D [2,0,0,0,0,0|0,0,0]=2 51 B4R0.2 C(CN)CO 0D8 [2,0,0,0,0,0|1,0,0]=3 52 B4R0.2 C(CO)CCl 3CL [2,0,0,0,0,0|2,0,0]=4 53 B4R0.2 C(CO)CO HPG [2,0,0,0,0,0|2,0,0]=4 54 B4R0.2 C(CO)CO PDO [2,0,0,0,0,0|2,0,0]=4 55 B4R0.2 C(CS)CS PDT [2,0,0,0,0,0|2,0,0]=4 56 B4R0.2 CCCCBr BBU [2,0,0,0,0,0|1,0,0]=3 57 B4R0.2 CCCCC LNK [2,0,0,0,0,0|1,0,0]=3 58 B4R0.2 CCCCN LYT [2,0,0,0,0,0|0,0,0]=2 59 B4R0.2 CCCCO 1BO [2,0,0,0,0,0|1,0,0]=3 60 B4R0.2 CCC[N+]#[C-] NPN [2,0,0,0,0,0|2,0,0]=4 61 B4R0.2 CCOCC ETZ [2,0,0,0,0,0|1,0,0]=3 62 B4R0.2 CCOC[O-] EOM [2,0,0,0,0,0|2,0,0]=4 63 B4R0.2 COCCO MXE [2,0,0,0,0,0|2,0,0]=4 64 B4R0.2 COCC[O-] MOE [2,0,0,0,0,0|2,0,0]=4 65 B6R0.1 C(CO)[C@H](C[O])O BGQ [1,1,0,0,0,0|2,0,0]=4 66 B6R0.1 CCC[C@@H](CO)O 1SP [1,1,0,0,0,0|2,0,0]=4 67 B6R0.1 CCOC(=O)CN GEE [1,1,0,0,0,0|1,0,1]=4 68 B6R0.4 C(CC(=O)O)CN ABU [1,1,0,0,0,0|1,0,1]=4 69 B6R0.4 CCNCC(=O)O 2JC [1,1,0,0,0,0|1,0,1]=4 70 B6R0.4 CN(C)CCCN DIB [1,1,0,0,0,0|2,0,0]=4 71 B8R0.4 C(CCNCCN)CN P24 [0,2,0,0,0,0|0,0,0]=2 72 B8R0.4 C(CN)CNCCCN NSD [0,2,0,0,0,0|0,0,0]=2 73 B8R0.6 C(CCN)CC(=O)NO 5XA [0,2,0,0,0,0|1,0,1]=4 74 B8R0.6 C(CCN)C[C@@H](CO)N LYJ [0,2,0,0,0,0|1,0,0]=3 75 B8R0.6 C(CCN)C[C@@H]([C-]=O)[NH-] LYS_LL_DHZ3 [0,2,0,0,0,0|1,0,1]=4 76 B8R0.6 C(CCN)C[C@@H]([C-]=O)[NH3+] LYS_LSN3_DHZ3 [0,2,0,0,0,0|1,0,1]=4 77 B8R0.7 C(CCC(=O)O)CCN ACA [0,2,0,0,0,0|2,0,0]=4 78 B8R0.7 C(CCC(=O)O)CCN AHA [0,2,0,0,0,0|2,0,0]=4 79 B8R0.7 C(CCNC(=N)N)CN AG2 [0,2,0,0,0,0|1,0,1]=4 80 B8R0.7 C(CCNC(O)O)CN N2H [0,2,0,0,0,0|2,0,0]=4 81 B8R0.7 CCCCCCC(=O)N HPN [0,2,0,0,0,0|2,0,0]=4 82 B6R1.1 C1CCCCC1 CHX [1,0,0,1,0,0|2,0,0]=4 83 B6R1.1 C1CCNCC1 PIP [1,0,0,1,0,0|1,0,0]=3 84 B6R1.1 C1CCOCC1 PYE [1,0,0,1,0,0|2,0,0]=4 85 B6R1.1 C1CNCCN1 PZE [1,0,0,1,0,0|0,0,0]=2 86 B6R1.1 C1COCCN1 6LR [1,0,0,1,0,0|1,0,0]=3 87 B6R1.1 C1COCCO1 DIO [1,0,0,1,0,0|2,0,0]=4 88 B6R1.1 C1COCCO1 DOX [1,0,0,1,0,0|2,0,0]=4 89 B6R1.2 C1CC(=O)NC1 BAQ [1,0,0,1,0,0|1,0,1]=4 90 B6R1.2 C1CCC(C1)N 1CB [1,0,0,1,0,0|1,0,0]=3 91 B6R1.2 C1CCC(C1)O YEG [1,0,0,1,0,0|2,0,0]=4 92 B6R1.2 C1CNC[C@@H]1N 04S [1,0,0,1,0,0|0,0,0]=2 93 B6R1.2 C1CNC[C@H]1O 6SP [1,0,0,1,0,0|1,0,0]=3 94 B8R1.2 CC[C@H]1CCCCN1 2EP [0,1,0,1,0,0|2,0,0]=4 95 B8R1.5 C1CC[C@H]([C@@H](C1)N)N DNH [0,1,0,1,0,0|1,0,0]=3 96 B8R1.5 C1CNC[C@H]([C@@H]1O)O XIF [0,1,0,1,0,0|2,0,0]=4 97 B8R1.22 C1CCC(=O)NCC1 ICC [0,1,0,1,0,0|2,0,0]=4 98 B8R1.22 C1CCCC(CC1)N SZ1 [0,1,0,1,0,0|2,0,0]=4 99 B8R1.3 C1CC(CCC1N)O SZ3 [0,1,0,1,0,0|2,0,0]=4 100 B8R1.3 CC1CCC(CC1)N 2MH [0,1,0,1,0,0|2,0,0]=4 101 B8R1.3 CC1CCC(CC1)N 4JU [0,1,0,1,0,0|2,0,0]=4 102 B8R1.7 C1C[C@@H](NC1)C(=O)N PR9 [0,1,0,1,0,0|1,0,1]=4 103 B8R1.7 C1C[C@H](NC1)C(=O)N LPD [0,1,0,1,0,0|1,0,1]=4 104 B8R1.7 C1C[C@H](NC1)[C@H](N)O V8W [0,1,0,1,0,0|1,0,0]=3