0 B5R0.2 C(CCN)CN PUT [0,0,0,0,0,0|4,0,0]=4 1 B5R0.2 C(CCO)CO BU1 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.2 C(CCO)C[NH3+] 4HA [0,0,0,0,0,0|4,0,0]=4 3 B5R0.2 CCC/C=N\O BXO [0,0,0,0,0,0|4,0,0]=4 4 B5R0.2 CCCCC=O PTL [0,0,0,0,0,0|3,0,1]=4 5 B5R0.2 CCCCCBr 5BR [0,0,0,0,0,0|3,0,0]=3 6 B5R0.2 CCCCCC HEX [0,0,0,0,0,0|2,0,0]=2 7 B5R0.2 CCCCCCl 7CL [0,0,0,0,0,0|3,0,0]=3 8 B5R0.2 CCCCCN AML [0,0,0,0,0,0|3,0,0]=3 9 B5R0.2 CCCCCO PE9 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.2 CCCC[N+]#[C-] NBN [0,0,0,0,0,0|3,0,1]=4 11 B5R0.2 CCOCCO ETX [0,0,0,0,0,0|2,1,0]=3 12 B5R0.2 CNCCCN N3D [0,0,0,0,0,0|4,0,0]=4 13 B5R0.2 COCCOC DXE [0,0,0,0,0,0|4,0,0]=4 14 B4R0.2 C(CCl)CCl 0CL [1,0,0,0,0,0|3,0,0]=4 15 B4R0.2 C(CN)CBr 4LJ [1,0,0,0,0,0|3,0,0]=4 16 B4R0.2 C(CN)CN 13D [1,0,0,0,0,0|3,0,0]=4 17 B4R0.2 C(CN)CO 0D8 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.2 C(CO)CCl 3CL [1,0,0,0,0,0|3,0,0]=4 19 B4R0.2 C(CO)CO HPG [1,0,0,0,0,0|3,0,0]=4 20 B4R0.2 C(CO)CO PDO [1,0,0,0,0,0|3,0,0]=4 21 B4R0.2 C(CS)CS PDT [1,0,0,0,0,0|3,0,0]=4 22 B4R0.2 C(O)OCO 21H [1,0,0,0,0,0|2,1,0]=4 23 B4R0.2 CC/C=N\O PXO [1,0,0,0,0,0|3,0,0]=4 24 B4R0.2 CCCCBr BBU [1,0,0,0,0,0|2,0,0]=3 25 B4R0.2 CCCCC LNK [1,0,0,0,0,0|1,0,0]=2 26 B4R0.2 CCCCN LYT [1,0,0,0,0,0|2,0,0]=3 27 B4R0.2 CCCCO 1BO [1,0,0,0,0,0|2,0,0]=3 28 B4R0.2 CCC[N+]#[C-] NPN [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 CCOC=O ETO [1,0,0,0,0,0|1,1,1]=4 30 B4R0.2 CCOCC ETZ [1,0,0,0,0,0|0,1,0]=2 31 B4R0.2 CCOC[O-] EOM [1,0,0,0,0,0|1,1,0]=3 32 B4R0.2 COCCO MXE [1,0,0,0,0,0|2,1,0]=4 33 B4R0.2 COCC[O-] MOE [1,0,0,0,0,0|2,1,0]=4 34 B4R0.2 [S-]SSS[S-] PS5 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.1 CCC(=O)OCC CA1 [0,1,0,0,0,0|1,1,0]=3 36 B6R0.1 CCC[C@@H](CO)O 1SP [0,1,0,0,0,0|3,0,0]=4 37 B6R0.1 CCNC(=O)OC MEC [0,1,0,0,0,0|3,0,0]=4 38 B6R0.1 CCOC(=O)CN GEE [0,1,0,0,0,0|2,1,0]=4 39 B6R0.1 CCOC(=O)NC EMB [0,1,0,0,0,0|2,1,0]=4 40 B6R0.1 CCS[C@H](C)SC 0AJ [0,1,0,0,0,0|2,0,0]=3 41 B6R0.4 CCCOC(=O)C 4PA [0,1,0,0,0,0|1,1,1]=4 42 B6R0.6 C(CCN)CCN N2P [0,1,0,0,0,0|3,0,0]=4 43 B6R0.6 C(COCCO)O PEG [0,1,0,0,0,0|2,1,0]=4 44 B6R0.6 CCCCCCC HP6 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.6 CCCCCCO HE2 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.6 CCCSCCO 266 [0,1,0,0,0,0|1,0,0]=2 47 B6R1.1 C1CCCCC1 CHX [0,0,0,1,0,0|2,0,0]=3 48 B6R1.1 C1CCNCC1 PIP [0,0,0,1,0,0|2,0,0]=3 49 B6R1.1 C1CCOCC1 PYE [0,0,0,1,0,0|1,1,0]=3 50 B6R1.1 C1CNCCN1 PZE [0,0,0,1,0,0|3,0,0]=4 51 B6R1.1 C1COCCN1 6LR [0,0,0,1,0,0|2,1,0]=4 52 B6R1.1 C1COCCO1 DIO [0,0,0,1,0,0|2,1,0]=4 53 B6R1.1 C1COCCO1 DOX [0,0,0,1,0,0|2,1,0]=4 54 B6R1.2 C1CCC(C1)N 1CB [0,0,0,1,0,0|3,0,0]=4 55 B6R1.2 C1CCC(C1)O YEG [0,0,0,1,0,0|3,0,0]=4 56 B6R1.2 C1CNC[C@@H]1N 04S [0,0,0,1,0,0|3,0,0]=4 57 B6R1.2 C1CNC[C@H]1O 6SP [0,0,0,1,0,0|3,0,0]=4 58 B6R1.3 COCC1CC1 09U [0,0,0,1,0,0|3,0,0]=4 59 B3R0.1 C(CBr)O BRJ [2,0,0,0,0,0|2,0,0]=4 60 B3R0.1 C(CCl)Cl DCE [2,0,0,0,0,0|2,0,0]=4 61 B3R0.1 C(CN)N EDN [2,0,0,0,0,0|2,0,0]=4 62 B3R0.1 C(CO)N ETA [2,0,0,0,0,0|2,0,0]=4 63 B3R0.1 C(CO)O EDO [2,0,0,0,0,0|2,0,0]=4 64 B3R0.1 C(CO)O EGL [2,0,0,0,0,0|2,0,0]=4 65 B3R0.1 C(CS)N DHL [2,0,0,0,0,0|2,0,0]=4 66 B3R0.1 C(CS)N SEA [2,0,0,0,0,0|2,0,0]=4 67 B3R0.1 C(CS)O BME [2,0,0,0,0,0|2,0,0]=4 68 B3R0.1 C(CS)O SEO [2,0,0,0,0,0|2,0,0]=4 69 B3R0.1 C(CS)S 6LN [2,0,0,0,0,0|2,0,0]=4 70 B3R0.1 CCC#N CNV [2,0,0,0,0,0|1,0,1]=4 71 B3R0.1 CCC=O CBG [2,0,0,0,0,0|1,0,1]=4 72 B3R0.1 CCC=O PNL [2,0,0,0,0,0|1,0,1]=4 73 B3R0.1 CCCBr 3BR [2,0,0,0,0,0|1,0,0]=3 74 B3R0.1 CCCC BUT [2,0,0,0,0,0|0,0,0]=2 75 B3R0.1 CCCC NBU [2,0,0,0,0,0|0,0,0]=2 76 B3R0.1 CCCC SBU [2,0,0,0,0,0|0,0,0]=2 77 B3R0.1 CCCN 3CN [2,0,0,0,0,0|1,0,0]=3 78 B3R0.1 CCCO POL [2,0,0,0,0,0|1,0,0]=3 79 B3R0.1 CCCS XL3 [2,0,0,0,0,0|1,0,0]=3 80 B3R0.1 CCN=O NOE [2,0,0,0,0,0|1,1,0]=4 81 B3R0.1 CCNC ETN [2,0,0,0,0,0|1,0,0]=3 82 B3R0.1 CCOC 2ME [2,0,0,0,0,0|0,1,0]=3 83 B3R0.1 CC[N+]#C ENC [2,0,0,0,0,0|1,0,1]=4 84 B5R0.1 CC(C)CCN LEN [1,1,0,0,0,0|2,0,0]=4 85 B5R0.1 CC(C)CCO IP3 [1,1,0,0,0,0|2,0,0]=4 86 B5R0.1 CCCC(=O)C PNH [1,1,0,0,0,0|1,0,1]=4 87 B5R0.1 CCOC(=O)C EEE [1,1,0,0,0,0|0,1,1]=4 88 B5R0.1 CCSC(=N)N ITU [1,1,0,0,0,0|1,0,1]=4 89 B5R0.1 CCSC(=N)N SEU [1,1,0,0,0,0|1,0,1]=4 90 B5R0.1 CSC[S@@](=O)C DSS [1,1,0,0,0,0|2,0,0]=4 91 B5R0.1 C[C@@H](CCO)O BU2 [1,1,0,0,0,0|2,0,0]=4 92 B5R0.1 C[C@H](CCO)O BU4 [1,1,0,0,0,0|2,0,0]=4 93 B5R0.3 CCC(CC)N D0M [1,1,0,0,0,0|1,0,0]=3 94 B5R0.3 CC[C@H](C)CN DCI [1,1,0,0,0,0|2,0,0]=4 95 B5R0.3 CC[C@H](C)CN MBA [1,1,0,0,0,0|2,0,0]=4 96 B7R0.3 CCCC[C@@H](CO)N 2AO [0,2,0,0,0,0|2,0,0]=4 97 B7R0.3 CCCC[C@@H](CO)O 0RE [0,2,0,0,0,0|2,0,0]=4 98 B7R0.3 CCCC[C@H](CO)O 7FB [0,2,0,0,0,0|2,0,0]=4 99 B7R0.7 CCOP(=O)OCC DEP [0,2,0,0,0,0|0,2,0]=4 100 B7R0.4 CCCCCC(=O)C HTX [0,2,0,0,0,0|2,0,0]=4 101 B7R0.6 C[C@H](CC[C@@H](C)O)O HX2 [0,2,0,0,0,0|2,0,0]=4 102 B7R0.1 C(CCCBr)CCO BHL [0,2,0,0,0,0|2,0,0]=4 103 B7R0.1 C(CCCN)CCN 16D [0,2,0,0,0,0|2,0,0]=4 104 B7R0.1 C(CCCO)CCN 6AH [0,2,0,0,0,0|2,0,0]=4 105 B7R0.1 C(CCCO)CCO HEZ [0,2,0,0,0,0|2,0,0]=4 106 B7R0.1 C(CSSCCO)O HED [0,2,0,0,0,0|0,0,0]=2 107 B7R0.1 CCCCCCC#N CNX [0,2,0,0,0,0|2,0,0]=4 108 B7R0.1 CCCCCCCC OCT [0,2,0,0,0,0|2,0,0]=4 109 B7R0.1 CCCCCCCO HE4 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.1 CCCSSCCC SSP [0,2,0,0,0,0|0,0,0]=2 111 B7R0.1 COCCOCCO PG0 [0,2,0,0,0,0|1,1,0]=4 112 B5R1.1 C1CCNC1 VES [1,0,0,1,0,0|1,0,0]=3 113 B5R1.1 C1CCOC1 FU1 [1,0,0,1,0,0|0,1,0]=3 114 B5R1.3 C1CC1CO 09V [1,0,0,1,0,0|2,0,0]=4 115 B7R1.1 C1C[C@H](NC1)CN P2Y [0,1,0,1,0,0|2,0,0]=4 116 B7R1.3 C1CCC(=O)CC1 CYH [0,1,0,1,0,0|2,0,0]=4 117 B7R1.3 C1CCC(CC1)O CXL [0,1,0,1,0,0|2,0,0]=4 118 B7R1.3 C1CCC(CC1)[NH3+] HAI [0,1,0,1,0,0|2,0,0]=4 119 B7R1.3 C1CCNC(=N)C1 2IM [0,1,0,1,0,0|2,0,0]=4 120 B7R1.3 C1C[C@H](CN=C1)N XBB [0,1,0,1,0,0|2,0,0]=4 121 B7R1.7 CCCC[C@@H]1CO1 0PZ [0,1,0,1,0,0|2,0,0]=4 122 B7R2.13 C1C[C@@H]2[C@H](C1)O2 3ZS [0,0,0,2,0,0|1,1,0]=4