0 B7R1.3 C1CC=CC(=O)C1 A2Q [0,0,0,0,0,0|2,0,2]=4 1 B7R1.3 C1CCC(=O)CC1 CYH [0,0,0,0,0,0|2,0,1]=3 2 B7R1.3 C1CCC(CC1)O CXL [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 C1CCC(CC1)[NH3+] HAI [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 C1CCNC(=N)C1 2IM [0,0,0,0,0,0|1,0,1]=2 5 B7R1.3 C1C[C@H](CN=C1)N XBB [0,0,0,0,0,0|3,0,1]=4 6 B6R1.1 C1CCCCC1 CHX [1,0,0,0,0,0|1,0,0]=2 7 B6R1.1 C1CCNCC1 PIP [1,0,0,0,0,0|0,0,0]=1 8 B6R1.1 C1CCOCC1 PYE [1,0,0,0,0,0|1,0,0]=2 9 B6R1.1 C1CNCCN1 PZE [1,0,0,0,0,0|1,0,0]=2 10 B6R1.1 C1COCCN1 6LR [1,0,0,0,0,0|1,0,0]=2 11 B6R1.1 C1COCCO1 DIO [1,0,0,0,0,0|2,0,0]=3 12 B6R1.1 C1COCCO1 DOX [1,0,0,0,0,0|2,0,0]=3 13 B8R1.2 C1CCC(CC1)C[NH3+] AMC [0,1,0,0,0,0|1,0,0]=2 14 B8R1.2 C1CCN(CC1)C=O FPI [0,1,0,0,0,0|2,0,1]=4 15 B8R1.2 CCC1CCNCC1 EPI [0,1,0,0,0,0|2,0,0]=3 16 B8R1.2 CCN1CCOCC1 6LB [0,1,0,0,0,0|3,0,0]=4 17 B8R1.2 CC[C@H]1CCCCN1 2EP [0,1,0,0,0,0|0,0,0]=1 18 B8R1.2 [C-]#[N+]C1CCCCC1 CYI [0,1,0,0,0,0|1,0,1]=3 19 B8R1.3 C1CC(CCC1N)O SZ3 [0,1,0,0,0,0|2,0,0]=3 20 B8R1.3 C1CC(CCC1O)O 71J [0,1,0,0,0,0|2,0,0]=3 21 B8R1.3 CC1CCC(CC1)N 2MH [0,1,0,0,0,0|1,0,0]=2 22 B8R1.3 CC1CCC(CC1)N 4JU [0,1,0,0,0,0|1,0,0]=2 23 B8R1.4 C[C@H]1CCNC(=C1)N 284 [0,1,0,0,0,0|1,0,2]=4 24 B8R1.5 C1CCC(=O)C(=O)C1 CXO [0,1,0,0,0,0|2,0,1]=4 25 B8R1.5 C1CC[C@@H]([C@H](C1)O)O 3ZQ [0,1,0,0,0,0|2,0,0]=3 26 B8R1.5 C1CC[C@H]([C@@H](C1)N)N DNH [0,1,0,0,0,0|2,0,0]=3 27 B8R1.5 C1CC[C@H]([C@@H](C1)O)O 40O [0,1,0,0,0,0|2,0,0]=3 28 B8R1.5 C1CNC[C@H]([C@@H]1O)O XIF [0,1,0,0,0,0|3,0,0]=4 29 B8R1.5 C1C[C@@H](C(=O)NC1)O XDL [0,1,0,0,0,0|1,0,1]=3 30 B8R1.5 C[C@H]1CCCC[C@@H]1O 4DX [0,1,0,0,0,0|1,0,0]=2 31 B6R0.1 CCC(=O)OCC CA1 [0,0,1,0,0,0|2,0,1]=4 32 B6R0.1 CCC[C@@H](CO)O 1SP [0,0,1,0,0,0|3,0,0]=4 33 B6R0.1 CCNC(=O)OC MEC [0,0,1,0,0,0|2,0,1]=4 34 B6R0.1 CCOC(=O)NC EMB [0,0,1,0,0,0|2,0,1]=4 35 B6R0.1 CCS[C@H](C)SC 0AJ [0,0,1,0,0,0|2,0,0]=3 36 B6R0.4 B(CCCC)(O)O BUB [0,0,1,0,0,0|3,0,0]=4 37 B6R0.4 CC(C)CCC=O MOP [0,0,1,0,0,0|2,0,1]=4 38 B6R0.4 CCCCC(=O)O LEA [0,0,1,0,0,0|2,0,1]=4 39 B6R0.4 CCCCC(=O)O PEI [0,0,1,0,0,0|2,0,1]=4 40 B6R0.4 CCCOC(=O)C 4PA [0,0,1,0,0,0|2,0,1]=4 41 B6R0.4 CN(C)CCCN DIB [0,0,1,0,0,0|3,0,0]=4 42 B6R0.6 C(CCN)CCN N2P [0,0,1,0,0,0|1,0,0]=2 43 B6R0.6 C(CCNN)CN 01H [0,0,1,0,0,0|2,0,0]=3 44 B6R0.6 C(CCO)CC=O GAQ [0,0,1,0,0,0|2,0,1]=4 45 B6R0.6 C(COCCO)O PEG [0,0,1,0,0,0|3,0,0]=4 46 B6R0.6 CCCCCCC HP6 [0,0,1,0,0,0|1,0,0]=2 47 B6R0.6 CCCCCCO HE2 [0,0,1,0,0,0|1,0,0]=2 48 B6R0.6 CCCCNC=O YIV [0,0,1,0,0,0|1,0,1]=3 49 B6R0.6 CCCSCCO 266 [0,0,1,0,0,0|2,0,0]=3 50 B6R1.2 C1CC(=O)NC1 BAQ [0,0,0,0,1,0|1,0,1]=3 51 B6R1.2 C1CC(=O)OC1 GBL [0,0,0,0,1,0|2,0,1]=4 52 B6R1.2 C1CCC(=O)C1 MFW [0,0,0,0,1,0|1,0,1]=3 53 B6R1.2 C1CCC(C1)N 1CB [0,0,0,0,1,0|1,0,0]=2 54 B6R1.2 C1CCC(C1)O YEG [0,0,0,0,1,0|1,0,0]=2 55 B6R1.2 C1CNC[C@@H]1N 04S [0,0,0,0,1,0|2,0,0]=3 56 B6R1.2 C1CNC[C@H]1O 6SP [0,0,0,0,1,0|2,0,0]=3 57 B8R1.22 C1CCC(=O)NCC1 ICC [0,0,0,0,0,1|1,0,1]=3 58 B8R1.22 C1CCC(=O)OCC1 ECE [0,0,0,0,0,1|2,0,1]=4 59 B8R1.22 C1CCCC(CC1)N SZ1 [0,0,0,0,0,1|2,0,0]=3 60 B5R0.1 CC(C)CCN LEN [1,0,1,0,0,0|1,0,0]=3 61 B5R0.1 CC(C)CCO IP3 [1,0,1,0,0,0|1,0,0]=3 62 B5R0.1 CCCC(=O)C PNH [1,0,1,0,0,0|1,0,1]=4 63 B5R0.1 CCCC(=O)N BMD [1,0,1,0,0,0|1,0,1]=4 64 B5R0.1 C[C@@H](CCO)O BU2 [1,0,1,0,0,0|2,0,0]=4 65 B5R0.1 C[C@H](CCO)O BU4 [1,0,1,0,0,0|2,0,0]=4 66 B5R0.2 C(CCN)CN PUT [1,0,1,0,0,0|1,0,0]=3 67 B5R0.2 C(CCO)CO BU1 [1,0,1,0,0,0|2,0,0]=4 68 B5R0.2 C(CCO)C[NH3+] 4HA [1,0,1,0,0,0|1,0,1]=4 69 B5R0.2 C(CN)CON XAP [1,0,1,0,0,0|2,0,0]=4 70 B5R0.2 CCCCC=O PTL [1,0,1,0,0,0|1,0,1]=4 71 B5R0.2 CCCCCBr 5BR [1,0,1,0,0,0|1,0,0]=3 72 B5R0.2 CCCCCC HEX [1,0,1,0,0,0|0,0,0]=2 73 B5R0.2 CCCCCCl 7CL [1,0,1,0,0,0|1,0,0]=3 74 B5R0.2 CCCCCN AML [1,0,1,0,0,0|0,0,0]=2 75 B5R0.2 CCCCCO PE9 [1,0,1,0,0,0|1,0,0]=3 76 B5R0.2 CCCC[N+]#[C-] NBN [1,0,1,0,0,0|0,0,2]=4 77 B5R0.2 CCOCCO ETX [1,0,1,0,0,0|2,0,0]=4 78 B5R0.2 CNCCCN N3D [1,0,1,0,0,0|1,0,0]=3 79 B5R0.2 COCCOC DXE [1,0,1,0,0,0|2,0,0]=4 80 B5R0.3 CCC(CC)N D0M [1,0,1,0,0,0|1,0,0]=3 81 B5R0.3 CC[C@H](C)CN DCI [1,0,1,0,0,0|1,0,0]=3 82 B5R0.3 CC[C@H](C)CN MBA [1,0,1,0,0,0|1,0,0]=3 83 B7R0.7 CC(CCO)CCO 40S [0,1,1,0,0,0|2,0,0]=4 84 B7R0.4 CCCCCC(=O)C HTX [0,1,1,0,0,0|1,0,1]=4 85 B7R0.4 CCCCOC(=O)C 8JZ [0,1,1,0,0,0|1,0,1]=4 86 B7R0.6 CC(C)NCC(=O)O IPG [0,1,1,0,0,0|1,0,1]=4 87 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [0,1,1,0,0,0|1,0,1]=4 88 B7R0.6 C[C@H](CC[C@@H](C)O)O HX2 [0,1,1,0,0,0|1,0,0]=3 89 B7R0.1 C(CCC=O)CCN DNL [0,1,1,0,0,0|0,0,1]=3 90 B7R0.1 C(CCCBr)CCO BHL [0,1,1,0,0,0|1,0,0]=3 91 B7R0.1 C(CCCN)CCN 16D [0,1,1,0,0,0|0,0,0]=2 92 B7R0.1 C(CCCO)CCN 6AH [0,1,1,0,0,0|0,0,0]=2 93 B7R0.1 C(CCCO)CCO HEZ [0,1,1,0,0,0|1,0,0]=3 94 B7R0.1 CCCCCCC#N CNX [0,1,1,0,0,0|0,0,1]=3 95 B7R0.1 CCCCCCCC OCT [0,1,1,0,0,0|1,0,0]=3 96 B7R0.1 CCCCCCCO HE4 [0,1,1,0,0,0|1,0,0]=3 97 B7R0.1 CCCSSCCC SSP [0,1,1,0,0,0|2,0,0]=4 98 B7R0.1 COCCOCCO PG0 [0,1,1,0,0,0|2,0,0]=4 99 B7R1.1 C1CCN(C1)C=O FP6 [0,1,0,0,1,0|1,0,1]=4 100 B7R1.1 C1C[C@H](NC1)C#N QEJ [0,1,0,0,1,0|0,0,1]=3 101 B7R1.1 C1C[C@H](NC1)C=O PRI [0,1,0,0,1,0|0,0,1]=3 102 B7R1.1 C1C[C@H](NC1)CN P2Y [0,1,0,0,1,0|0,0,0]=2 103 B7R1.1 C1C[C@H]([N-]C1)[C-]=O PRO_LL [0,1,0,0,1,0|0,0,2]=4 104 B7R1.1 C1C[C@H]([NH2+]C1)[C-]=O PRO_LSN3 [0,1,0,0,1,0|0,0,2]=4 105 B7R1.4 C1C[C@H]([C@H](C1)O)O 17Y [0,1,0,0,1,0|1,0,0]=3 106 B7R1.4 CN1CCCC1=O MB3 [0,1,0,0,1,0|1,0,1]=4 107 B9R1.1 C1CC(CCC1CN)N CHN [0,2,0,0,0,0|1,0,0]=3 108 B9R1.1 C1CC(CCC1CO)O HB0 [0,2,0,0,0,0|1,0,0]=3 109 B9R1.6 C1CCC(CC1)C(=O)N WM2 [0,2,0,0,0,0|1,0,1]=4 110 B9R1.6 C1CCN[C@@H](C1)C(=O)O YCP [0,2,0,0,0,0|0,0,1]=3 111 B9R1.6 C1CCN[C@H](C1)C(=O)O CPI [0,2,0,0,0,0|0,0,1]=3 112 B9R1.8 C1CCC(CC1)NC=O CXF [0,2,0,0,0,0|1,0,1]=4 113 B9R1.8 C1CCC(CC1)[NH2][Pt+2][NH3] LPT [0,2,0,0,0,0|2,0,0]=4 114 B9R1.69 C[C@@H]1[C@H](CC[C@@H](O1)O)O CDR [0,2,0,0,0,0|1,0,0]=3 115 B9R1.3 CC1C(=O)CCCC1=O 70V [0,2,0,0,0,0|1,0,1]=4 116 B9R1.3 C[C@H]1CCC[C@H]([C@@H]1O)O Q6Z [0,2,0,0,0,0|1,0,0]=3 117 B9R1.34 C1[C@H](CC(C[C@H]1N)O)N GE2 [0,2,0,0,0,0|2,0,0]=4 118 B7R1.7 CCCC[C@@H]1CO1 0PZ [0,0,1,1,0,0|1,0,0]=3 119 B7R2.13 C1C[C@@H]2[C@H](C1)O2 3ZS [1,0,0,1,0,0|1,0,0]=3 120 B9R2.39 C1C[C@@H]2C[C@H]1CC2=O NCM [0,1,0,1,0,0|1,0,0]=3 121 B5R1.1 C1CCNC1 VES [1,0,0,0,1,0|0,0,0]=2 122 B5R1.1 C1CCOC1 FU1 [1,0,0,0,1,0|1,0,0]=3