0 B8R1.3 N[C@H]1CC[C@H](C)CC1 M10220545P [0,0,0,0,0,0|4,0,0]=4 1 B8R1.3 OC1CCC(C)CC1 M10014985P [0,0,0,0,0,0|3,0,0]=3 2 B8R1.3 OC1CCC(N)CC1 M10096706P [0,0,0,0,0,0|3,0,0]=3 3 B8R1.3 O[C@H]1CC[C@H](C)CC1 M10110148P [0,0,0,0,0,0|3,0,0]=3 4 B8R1.3 O[C@H]1CC[C@H](O)CC1 M10100025P [0,0,0,0,0,0|2,0,0]=2 5 B7R1.3 CC1CNCCO1 M10198590P [1,0,0,0,0,0|2,1,0]=4 6 B7R1.3 C[C@@H]1NCCOC1 M11094562P [1,0,0,0,0,0|2,1,0]=4 7 B7R1.3 C[C@H]1CNCCC1 M10841057P [1,0,0,0,0,0|3,0,0]=4 8 B7R1.3 C[C@H]1CNCCO1 M10456369P [1,0,0,0,0,0|2,1,0]=4 9 B7R1.3 C[C@H]1CNCCO1 M11103989P [1,0,0,0,0,0|2,1,0]=4 10 B7R1.3 C[C@H]1NCCCC1 M10035322P [1,0,0,0,0,0|3,0,0]=4 11 B7R1.3 C[C@H]1NCCOC1 M10088620P [1,0,0,0,0,0|2,1,0]=4 12 B7R1.3 C[C@H]1NCCOC1 M10456366P [1,0,0,0,0,0|2,1,0]=4 13 B7R1.3 ClC1CCCCO1 M10051478P [1,0,0,0,0,0|2,1,0]=4 14 B7R1.3 NC1CCCCC1 M10067868P [1,0,0,0,0,0|3,0,0]=4 15 B7R1.3 NC1CCCCC1 M10164877P [1,0,0,0,0,0|3,0,0]=4 16 B7R1.3 NC1CCCCC1 M10192982P [1,0,0,0,0,0|3,0,0]=4 17 B7R1.3 NC1CCCCC1 M10222576P [1,0,0,0,0,0|3,0,0]=4 18 B7R1.3 NC1CNCCC1 M10274112P [1,0,0,0,0,0|3,0,0]=4 19 B7R1.3 N[C@@H]1CNCCC1 M10481372P [1,0,0,0,0,0|3,0,0]=4 20 B7R1.3 N[C@@H]1COCCC1 M10121266P [1,0,0,0,0,0|2,1,0]=4 21 B7R1.3 N[C@@H]1COCCC1 M11098623P [1,0,0,0,0,0|2,1,0]=4 22 B7R1.3 N[C@H]1CNCCC1 M10725270P [1,0,0,0,0,0|3,0,0]=4 23 B7R1.3 N[C@H]1COCCC1 M11098624P [1,0,0,0,0,0|2,1,0]=4 24 B7R1.3 OC1CNCCO1 M10475029P [1,0,0,0,0,0|1,1,0]=3 25 B7R1.3 OC1COCOC1 M10192268P [1,0,0,0,0,0|2,1,0]=4 26 B7R1.3 OC1COCOC1 M10508011P [1,0,0,0,0,0|2,1,0]=4 27 B7R1.3 ON1CCCCC1 M10066414P [1,0,0,0,0,0|3,0,0]=4 28 B9R1.1 N#CC1CCC(O)CC1 M10182963P [0,1,0,0,0,0|3,0,0]=4 29 B9R1.1 NC1CCC(OC)CC1 M10062169P [0,1,0,0,0,0|3,0,0]=4 30 B9R1.1 NC1CCC(OC)CC1 M10076091P [0,1,0,0,0,0|3,0,0]=4 31 B9R1.1 OC1CCC(OC)CC1 M10153152P [0,1,0,0,0,0|2,0,0]=3 32 B7R0.6 CC(O)C#CC(O)C M10050361P [0,0,1,0,0,0|2,0,1]=4 33 B7R1.2 CN1C[C@H](O)CC1 M10655228P [0,0,0,0,1,0|3,0,0]=4 34 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [0,0,0,0,1,0|0,1,2]=4 35 B7R1.2 OC1CC(N)CC1 M10107887P [0,0,0,0,1,0|2,0,0]=3 36 B7R1.2 OC1CC(N)CC1 M10126049P [0,0,0,0,1,0|2,0,0]=3 37 B7R1.2 O[C@@H]1C[C@H](N)CC1 M10095935P [0,0,0,0,1,0|2,0,0]=3 38 B7R1.2 O[C@H]1C[C@@H](N)CC1 M10127739P [0,0,0,0,1,0|2,0,0]=3 39 B7R1.2 O[C@H]1C[C@@H](N)CC1 M10127951P [0,0,0,0,1,0|2,0,0]=3 40 B6R0.1 CC(OC)CCO M10044895P [1,0,1,0,0,0|1,1,0]=4 41 B6R0.4 CC(C)CCCO M10016881P [1,0,1,0,0,0|2,0,0]=4 42 B6R0.4 CC(O)CCCO M10016886P [1,0,1,0,0,0|1,0,0]=3 43 B6R0.6 NCCSCCN M10022220P [1,0,1,0,0,0|2,0,0]=4 44 B6R0.6 OCCCCNC M10247660P [1,0,1,0,0,0|2,0,0]=4 45 B6R0.6 OCCSCCO M10003812P [1,0,1,0,0,0|0,1,0]=3 46 B6R1.1 C1CCCCS1 M10033603P [2,0,0,0,0,0|1,0,0]=3 47 B6R1.1 N1CCCCC1 M10083674P [2,0,0,0,0,0|2,0,0]=4 48 B6R1.1 N1CCNCC1 M10005439P [2,0,0,0,0,0|2,0,0]=4 49 B6R1.1 N1CCSCC1 M10082418P [2,0,0,0,0,0|1,0,0]=3 50 B6R1.1 O1CCSCC1 M10139809P [2,0,0,0,0,0|0,1,0]=3 51 B6R1.1 [NH2+]1CCCCC1 M10064261P [2,0,0,0,0,0|2,0,0]=4 52 B8R0.6 OCC(O)CCCCO M10003368P [0,1,1,0,0,0|1,1,0]=4 53 B8R1.2 OCC1CCCCO1 M10002840P [1,1,0,0,0,0|1,1,0]=4 54 B8R1.2 OCC1CNCCO1 M10649725P [1,1,0,0,0,0|1,1,0]=4 55 B8R1.2 OC[C@@H]1CNCCO1 M10129691P [1,1,0,0,0,0|1,1,0]=4 56 B8R1.2 OC[C@H]1CNCCO1 M10784747P [1,1,0,0,0,0|1,1,0]=4 57 B8R1.2 ONC1CCCCC1 M10041269P [1,1,0,0,0,0|2,0,0]=4 58 B8R1.2 ONC1CCCCC1 M10187793P [1,1,0,0,0,0|2,0,0]=4 59 B8R1.4 OC1CC(N)CCC1 M10096701P [1,1,0,0,0,0|2,0,0]=4 60 B8R1.4 O[C@H]1C[C@@H](N)CCC1 M10099944P [1,1,0,0,0,0|2,0,0]=4 61 B8R1.5 O[C@@H]1[C@@H](N)CCCC1 M10123131P [1,1,0,0,0,0|2,0,0]=4 62 B8R1.5 O[C@@H]1[C@@H](O)CCCC1 M10297347P [1,1,0,0,0,0|2,0,0]=4 63 B8R1.5 O[C@H]1[C@@H](N)CCCC1 M10821370P [1,1,0,0,0,0|2,0,0]=4 64 B8R1.5 O[C@H]1[C@H](N)CCCC1 M10123132P [1,1,0,0,0,0|2,0,0]=4 65 B8R1.5 O[C@H]1[C@H](O)CCCC1 M10031116P [1,1,0,0,0,0|2,0,0]=4 66 B10R1.3 OC[C@H]1CC[C@H](CO)CC1 M10052537P [0,2,0,0,0,0|2,0,0]=4 67 B10R1.3 SCC1SCC(CS)SC1 M12276746P [0,2,0,0,0,0|0,2,0]=4 68 B10R1.13 O=C(C1CCC(O)CC1)O M10149467P [0,2,0,0,0,0|2,0,0]=4 69 B10R1.297 OC1(C)SCC(O)(C)SC1 M10284140P [0,2,0,0,0,0|0,0,0]=2 70 B10R1.119 O[C@@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O M10096068P [0,2,0,0,0,0|1,1,0]=4 71 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [0,0,1,0,1,0|0,1,1]=4 72 B6R0.2 C[C@H](O)CC(O)=O M10084600P [0,0,1,0,1,0|0,1,1]=4 73 B6R1.2 BrC1COCC1 M10160220P [1,0,0,0,1,0|1,1,0]=4 74 B6R1.2 CC1SCCS1 M10078227P [1,0,0,0,1,0|1,0,0]=3 75 B6R1.2 C[C@H]1NCCC1 M10246674P [1,0,0,0,1,0|2,0,0]=4 76 B6R1.2 FC1CNCC1 M10798431P [1,0,0,0,1,0|2,0,0]=4 77 B6R1.2 F[C@@H]1CNCC1 M10742011P [1,0,0,0,1,0|2,0,0]=4 78 B6R1.2 F[C@H]1CNCC1 M10939528P [1,0,0,0,1,0|2,0,0]=4 79 B6R1.2 NC1CNCC1 M10474878P [1,0,0,0,1,0|2,0,0]=4 80 B6R1.2 NC1COCC1 M10544670P [1,0,0,0,1,0|1,1,0]=4 81 B6R1.2 NC1COCC1 M10831251P [1,0,0,0,1,0|1,1,0]=4 82 B6R1.2 N[C@@H]1COCC1 M10654784P [1,0,0,0,1,0|1,1,0]=4 83 B6R1.2 N[C@@H]1COCC1 M10831252P [1,0,0,0,1,0|1,1,0]=4 84 B6R1.2 OC1CC=CC1 M10130348P [1,0,0,0,1,0|1,0,1]=4 85 B6R1.2 O[C@H]1COCC1 M10505325P [1,0,0,0,1,0|0,1,0]=3 86 B6R1.5 NC1CC(C)C1 M10568222P [0,0,0,0,2,0|2,0,0]=4 87 B6R1.5 OC1CC(N)C1 M10095936P [0,0,0,0,2,0|1,0,0]=3 88 B6R1.5 OC1CN(C)C1 M10676745P [0,0,0,0,2,0|2,0,0]=4 89 B6R1.5 O[C@H]1C[C@H](N)C1 M11112696P [0,0,0,0,2,0|1,0,0]=3