0 B8R0.7 CC(C)CCCCCBr AC250009 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.7 CC(C)NCCCCO AC021626 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.1 NCCCCCCO AC511691 [1,0,0,0,0,0|1,0,2]=4 3 B7R0.1 OCCCCCC#C AC510906 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.4 CC(O)CNCCO AC021070 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.4 CCCCCC(C)N HY-B0952 [1,0,0,0,0,0|1,0,1]=3 6 B9R0.55 CC(=O)NCCCC(O)=O HY-101411 [0,1,0,0,0,0|2,0,1]=4 7 B9R1.2 CN1CCC[C@@H](CO)C1 AC020589 [0,0,0,1,0,0|1,0,2]=4 8 B9R1.2 CN1CCC[C@H](CO)C1 AC020588 [0,0,0,1,0,0|1,0,2]=4 9 B9R1.7 CN1CCC(CC#N)C1 AC030203 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.13 CN(C)CC1CCCO1 AC050502 [0,0,0,1,0,0|1,0,2]=4 11 B9R1.16 O[C@@H]1C[C@H]1CCCC=C AC021542 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.40 C1CNCC(C1=O)(F)F LN00215144 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.40 CC1(C)CCCCC1=O AC120013 [0,0,0,1,0,0|0,0,0]=1 14 B9R1.48 O=C1CCCCC(=O)C1 AC181368 [0,0,0,1,0,0|1,0,1]=3 15 B6R0.6 ClCCCCC=O AC511901 [2,0,0,0,0,0|1,0,0]=3 16 B6R0.6 OCCCCC=O AC511239 [2,0,0,0,0,0|1,0,0]=3 17 B6R0.6 OCCCCCBr AC500312 [2,0,0,0,0,0|1,0,1]=4 18 B6R0.4 CC(C)CCCO AC510897 [2,0,0,0,0,0|0,0,1]=3 19 B6R0.4 CC(C)OCCBr AC512105 [2,0,0,0,0,0|2,0,0]=4 20 B6R0.4 CN(C)CCCBr AC182623 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.4 CN(C)CCCCl AC500093 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.4 CN(C)CCCCl AC512046 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.4 CNCCC(C)C AC010487 [2,0,0,0,0,0|1,0,0]=3 24 B6R0.4 CNCCC(C)C AC010537 [2,0,0,0,0,0|1,0,0]=3 25 B8R0.4 C=CCCCCCCI LN01331461 [1,1,0,0,0,0|1,0,0]=3 26 B8R0.5 CCCC(C)CC(C)C AC220173 [1,1,0,0,0,0|0,0,1]=3 27 B8R0.28 CC(=O)CCCC(O)=O AC180079 [1,1,0,0,0,0|1,0,1]=4 28 B8R0.28 CC(C)CCCC(C)N HY-B1233 [1,1,0,0,0,0|0,0,1]=3 29 B8R0.28 CN(C)CCCC(O)=O AC130623 [1,1,0,0,0,0|1,0,0]=3 30 B8R1.2 BrCC1CCCCC1 AC500277 [1,0,0,1,0,0|1,0,1]=4 31 B8R1.2 CNC1CCCCC1 AC500155 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.2 NNC1CCCCC1 AC510702 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.2 O=CC1CCOCC1 AC220055 [1,0,0,1,0,0|1,0,0]=3 34 B8R1.2 [C-]#[N+]C1CCCCC1 AC190311 [1,0,0,1,0,0|2,0,0]=4 35 B8R1.5 CC1CNCCC1=O AC050554 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.5 CC1CNCCC1=O AC050590 [1,0,0,1,0,0|1,0,0]=3 37 B8R1.5 CC1CNCCC1=O LN00001086 [1,0,0,1,0,0|1,0,0]=3 38 B8R1.5 CC1COCCC1=O AC182732 [1,0,0,1,0,0|1,0,0]=3 39 B8R1.5 CN1CCNCC1=O AC180697 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.5 N[C@H]1CCCNC1=O AC182393 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.5 O=C1CCCCC1=O AC500073 [1,0,0,1,0,0|1,0,1]=4 42 B8R1.22 CC1CCCCCN1 LN00112400 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.22 CC1CCCCNC1 LN00001181 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.22 O=C1CCCCC=C1 AC510631 [1,0,0,1,0,0|0,0,2]=4 45 B8R1.22 O=C1CCCNCC1 AC170015 [1,0,0,1,0,0|1,0,0]=3 46 B8R1.22 O=C1CCNCCN1 AC182497 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.22 O=C1CNCCCN1 AC182793 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.4 CC1CC(=O)CCO1 AC220032 [1,0,0,1,0,0|1,0,0]=3 49 B8R1.4 CC1CCCC(C)N1 HY-B1191 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.4 CC1CCCC(N)C1 AC050625 [1,0,0,1,0,0|1,0,0]=3 51 B8R1.4 CN1CCCC(=O)C1 AC182125 [1,0,0,1,0,0|1,0,0]=3 52 B8R1.4 CN1CCCC(N)C1 AC190086 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.4 CN1CCNC(=O)C1 AC182677 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.4 CN1CCOC(=O)C1 AC170002 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.4 NC1CCCC(O)C1 AC310112 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.4 O=C1CCCC(=O)C1 AC510798 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.4 OC1CCNC(=O)C1 AC182440 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.72 CC1(C)CCNCC1 AC511246 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.72 CC1(C)CNCCN1 AC182060 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.72 CC1(C)CNCCO1 AC182432 [1,0,0,1,0,0|1,0,1]=4 61 B10R1.61 CC(=O)C1CCCCC1=O AC220177 [0,1,0,1,0,0|1,0,1]=4 62 B10R1.61 CC(C)C1CNCCC1=O AC050379 [0,1,0,1,0,0|0,0,0]=2 63 B10R1.128 C[N+]1(C)CCC[C@H]1C([O-])=O HY-N0298 [0,1,0,1,0,0|1,0,0]=3