0 B8R0.7 CCCCCCC(C)=O HY-W010409 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C#CCCCCCBr HY-W459522 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.1 CCCCCCCO HY-W099504 [1,0,0,0,0,0|0,0,2]=3 3 B7R0.1 CCCC\C=C\C=O HY-W127398 [1,0,0,0,0,0|0,0,2]=3 4 B7R0.1 ClCCCCCCBr HY-W009787 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.1 NCCCCCCO HY-W007957 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.1 OCCCCCCBr HY-W016455 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.1 OCCCCCCCl HY-41681 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.1 OCCCCCCO HY-W010505 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.4 CCCCCC(C)N HY-B0952 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.4 CCCCCC(C)O HY-W015879 [1,0,0,0,0,0|1,0,1]=3 11 B9R0.38 CCCCCC[N+](C)(C)C HY-W099682 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.55 CC(=O)NCCCC(=O)O HY-101411 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.55 CC(C)CCCCC(=O)O HY-W101588 [0,1,0,0,0,0|0,0,0]=1 14 B9R0.55 CN(C)CCCSC(=N)N HY-B1478 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.55 O=C(O)CCCCC(=O)O HY-B2186 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522R [0,1,0,0,0,0|2,0,1]=4 18 B9R0.55 O=C(O)CCCC[13C](=O)O HY-W017522S3 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.48 O=C1CCCCC(=O)C1 HY-W002860 [0,0,0,1,0,0|1,0,1]=3 20 B6R0.6 C=CCCCCO HY-W012995 [2,0,0,0,0,0|1,0,1]=4 21 B6R0.6 CCCCCCO HY-W032022 [2,0,0,0,0,0|0,0,1]=3 22 B6R0.6 CCC\C=C\C=O HY-128429 [2,0,0,0,0,0|0,0,2]=4 23 B6R0.6 NCCCCCN HY-W016750 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.6 NCCCCCO HY-W012971 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.4 CC(C)CCCO HY-W007511 [2,0,0,0,0,0|0,0,1]=3 26 B6R0.4 CN(C)CCCCl HY-W018789 [2,0,0,0,0,0|2,0,0]=4 27 B8R0.4 C#CCCCCCCO HY-W008554 [1,1,0,0,0,0|1,0,1]=4 28 B8R0.4 C=CCCCCCCO HY-W127366 [1,1,0,0,0,0|1,0,0]=3 29 B8R0.4 CCCCCCCC=O HY-N8015 [1,1,0,0,0,0|0,0,0]=2 30 B8R0.4 CCCCCCCCBr HY-W032015 [1,1,0,0,0,0|1,0,1]=4 31 B8R0.4 CCCCCCCCN HY-W032014 [1,1,0,0,0,0|1,0,1]=4 32 B8R0.4 CCCCCCCCO HY-W032013 [1,1,0,0,0,0|0,0,2]=4 33 B8R0.4 CCCCSCCCC HY-W250123 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.4 COCCOCCC=O HY-W1049075C [1,1,0,0,0,0|1,0,0]=3 35 B8R0.4 NCCCCCCCN HY-W008821 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.4 OCCCCCCCBr HY-W008425 [1,1,0,0,0,0|0,0,2]=4 37 B8R0.6 C=CC(O)CCCCC HY-W010410 [1,1,0,0,0,0|1,0,0]=3 38 B8R0.6 CCCCCC(O)CC HY-W099689 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [1,1,0,0,0,0|0,0,2]=4 40 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.28 CC(C)CCCC(C)N HY-B1233 [1,1,0,0,0,0|0,0,1]=3 42 B8R0.28 CC(C)CCCC(C)N HY-B1233A [1,1,0,0,0,0|0,0,1]=3 43 B10R0.3 CC(C)=CCCC(C)CC=O HY-N7126 [0,2,0,0,0,0|0,0,1]=3 44 B10R0.3 CC(C)=CCC[C@@H](C)CC=O HY-111664 [0,2,0,0,0,0|0,0,1]=3 45 B10R0.3 CC(C)=CCC[C@H](C)CC=O HY-111664A [0,2,0,0,0,0|0,0,1]=3 46 B10R0.3 CC(C)CCCC(C)CCO HY-W010176 [0,2,0,0,0,0|0,0,2]=4 47 B10R0.96 CC(C)CC(=O)NCC(=O)O HY-W015464 [0,2,0,0,0,0|1,0,1]=4 48 B8R1.5 CC1CCCCC1=O HY-W010549 [1,0,0,1,0,0|0,0,0]=2 49 B8R1.5 NC1CCCNC1=O HY-21088 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [1,0,0,1,0,0|2,0,0]=4 51 B8R1.5 O=C1CCCCC1=O HY-W007347 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.11 CCN1CCCC1=O HY-B1620 [1,0,0,1,0,0|1,0,0]=3 53 B8R1.11 CCN1CCCC1=O HY-B1620B [1,0,0,1,0,0|1,0,0]=3 54 B8R1.11 CCN1CCCC1=O HY-B1620H [1,0,0,1,0,0|1,0,0]=3 55 B8R1.11 CCN1CCCC1=O HY-B1620I [1,0,0,1,0,0|1,0,0]=3 56 B8R1.11 CCN1CCCC1=O HY-B1620J [1,0,0,1,0,0|1,0,0]=3 57 B8R1.11 CCN1CCCC1=O HY-B1620L [1,0,0,1,0,0|1,0,0]=3 58 B8R1.11 CCN1CCCC1=O HY-B1620O [1,0,0,1,0,0|1,0,0]=3 59 B8R1.22 O=C1CCCCCN1 HY-W010542 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.22 O=C1CCCCCO1 HY-W015891 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.22 O=C1CCCCCO1 HY-W392100B [1,0,0,1,0,0|1,0,0]=3 62 B8R1.22 O=C1CCCNCC1 HY-W001845 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.4 CC1CCCC(C)N1 HY-B1191 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.4 CC1CCN=C(N)C1 HY-138564 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.72 C[N+]1(C)CCCCC1 HY-W017448 [1,0,0,1,0,0|1,0,1]=4 67 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 HY-W038877 [0,1,0,1,0,0|1,0,0]=3 68 B10R1.149 CCC(C)N1CCCC1=O HY-B2234 [0,1,0,1,0,0|1,0,0]=3 69 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)O HY-N0738 [0,1,0,1,0,0|1,0,0]=3 70 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)[O-] HY-N0298 [0,1,0,1,0,0|1,0,0]=3 71 B10R2.71 O=C1CC2CCC(C1)N2 HY-76030 [0,0,0,2,0,0|1,0,0]=3