0 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.28 CC(C)CCCC(C)N HY-B1233 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.28 CC(C)CCCC(C)N HY-B1233A [0,0,0,0,0,0|1,0,2]=3 5 B7R0.4 CCCCCC(C)N HY-B0952 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.4 CCCCCC(C)O HY-W015879 [1,0,0,0,0,0|0,0,2]=3 7 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.1 C=CC(=C)CCC=C(C)C HY-N0803 [0,1,0,0,0,0|1,0,2]=4 9 B9R0.7 C=C(C)C(=O)NCC(C)O HY-W077028 [0,1,0,0,0,0|1,0,1]=3 10 B9R0.56 CC(N)CCCC(C)(C)O HY-B1231 [0,1,0,0,0,0|1,0,2]=4 11 B9R0.56 CC(N)CCCC(C)(C)O HY-W685943 [0,1,0,0,0,0|1,0,2]=4 12 B9R1.66 CC1(C)CCCC(=O)C1 HY-79034 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,0,0,1,0,0|2,0,0]=3 15 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [0,0,0,0,1,0|2,0,1]=4 16 B7R0.6 CC(C)CCC(=O)O HY-W015882 [0,0,0,0,1,0|1,0,2]=4 17 B7R0.6 CC(C)CCC(=O)O HY-W015882R [0,0,0,0,1,0|1,0,2]=4 18 B6R0.4 C=CCCC(=O)O HY-Y0624 [2,0,0,0,0,0|1,0,1]=4 19 B6R0.4 CC(C)CCCO HY-W007511 [2,0,0,0,0,0|0,0,1]=3 20 B6R0.4 CCCCC(N)=O HY-W144037 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.4 CN(C)CCCCl HY-W018789 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.4 C\C=C\CC(=O)O HY-W088501 [2,0,0,0,0,0|1,0,1]=4 23 B6R0.6 C=CCCCCO HY-W012995 [2,0,0,0,0,0|0,0,2]=4 24 B6R0.6 CCCCCCO HY-W032022 [2,0,0,0,0,0|0,0,2]=4 25 B6R0.6 CCC\C=C\C=O HY-128429 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.6 CC\C=C/CCO HY-W010607 [2,0,0,0,0,0|0,0,2]=4 27 B6R0.6 C\C=C\C=C\CO HY-W017690 [2,0,0,0,0,0|0,0,2]=4 28 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [1,1,0,0,0,0|1,0,1]=4 29 B8R0.6 CCCCCC(O)CC HY-W099689 [1,1,0,0,0,0|0,0,2]=4 30 B8R0.7 CC(=O)NCCCCN HY-113100 [1,1,0,0,0,0|2,0,0]=4 31 B8R0.7 CC(=O)NCCCCN HY-W342604 [1,1,0,0,0,0|2,0,0]=4 32 B8R0.7 CCCCCCC(C)=O HY-W010409 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.8 C=C(C)C(=O)OCCO HY-W012723 [1,1,0,0,0,0|1,0,1]=4 34 B10R0.3 CC(C)=CCCC(C)CC=O HY-N7126 [0,2,0,0,0,0|0,0,1]=3 35 B10R0.3 CC(C)=CCCC(C)CCO HY-W010201 [0,2,0,0,0,0|0,0,0]=2 36 B10R0.3 CC(C)=CCCC(C)CCO HY-W010201R [0,2,0,0,0,0|0,0,0]=2 37 B10R0.3 CC(C)=CCC[C@@H](C)CC=O HY-111664 [0,2,0,0,0,0|0,0,1]=3 38 B10R0.3 CC(C)=CCC[C@@H](C)CCO HY-124257 [0,2,0,0,0,0|0,0,0]=2 39 B10R0.3 CC(C)=CCC[C@H](C)CC=O HY-111664A [0,2,0,0,0,0|0,0,1]=3 40 B10R0.3 CC(C)=CCC[C@H](C)CCO HY-W015515 [0,2,0,0,0,0|0,0,0]=2 41 B10R0.3 CC(C)=CCC\C(C)=C/CO HY-N7063 [0,2,0,0,0,0|0,0,1]=3 42 B10R0.3 CC(C)=CCC\C(C)=C\C=O HY-N7083 [0,2,0,0,0,0|0,0,2]=4 43 B10R0.3 CC(C)=CCC\C(C)=C\C=O HY-N7083R [0,2,0,0,0,0|0,0,2]=4 44 B10R0.3 CC(C)=CCC\C(C)=C\CO HY-N6952 [0,2,0,0,0,0|0,0,1]=3 45 B10R0.3 CC(C)=CCC\C(C)=C\CO HY-N6952R [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 B10R0.65 C=CC(C)(O)CCC=C(C)C HY-N0368 [0,2,0,0,0,0|0,0,0]=2 48 B10R0.65 C=CC(C)(O)CCC=C(C)C HY-N0368R [0,2,0,0,0,0|0,0,0]=2 49 B10R0.65 C=C[C@](C)(O)CCC=C(C)C HY-116195 [0,2,0,0,0,0|0,0,0]=2 50 B10R0.65 C=C[C@](C)(O)CCC=C(C)C HY-116195R [0,2,0,0,0,0|0,0,0]=2 51 B10R0.65 CCC(C)(O)CCC=C(C)C HY-W010202 [0,2,0,0,0,0|0,0,0]=2 52 B8R1.4 CC1CCN=C(N)C1 HY-138564 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.22 O=C1CCCCCN1 HY-W010542 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.22 O=C1CCCCCO1 HY-W015891 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.22 O=C1CCCCCO1 HY-W392100B [1,0,0,1,0,0|2,0,0]=4 56 B8R1.72 C[N+]1(C)CCCCC1 HY-W017448 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.3 CN1CCC(O)CC1 HY-W018626 [0,0,0,1,1,0|1,0,0]=3 58 B8R1.3 C[C@H]1CC[C@H](N)CC1 HY-W010538 [0,0,0,1,1,0|1,0,1]=4 59 B8R1.3 N[C@H]1CC[C@H](O)CC1 HY-79722 [0,0,0,1,1,0|1,0,1]=4 60 B10R1.13 C=C(C)[C@@H]1CC=C(C)CC1 HY-Z0478 [0,1,0,1,0,0|1,0,1]=4 61 B10R1.13 CC1=CCC(C(C)C)=CC1 HY-W020183 [0,1,0,1,0,0|1,0,1]=4 62 B10R1.13 CC1=CCC(C(C)C)C=C1 HY-121615 [0,1,0,1,0,0|1,0,1]=4 63 B10R1.329 CC1=CC(=O)CC(C)(C)C1 HY-Y0932 [0,1,0,1,0,0|1,0,1]=4 64 B6R0.2 CC(N)CN(C)C HY-32007 [0,0,0,0,2,0|2,0,0]=4 65 B6R0.2 CC(N)CN(C)C HY-32007A [0,0,0,0,2,0|2,0,0]=4 66 B6R0.2 CC(O)CC(=O)O HY-113378 [0,0,0,0,2,0|2,0,0]=4 67 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [0,0,0,0,2,0|2,0,0]=4 68 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [0,0,0,0,2,0|2,0,0]=4