0 B7R0.4 CCCCCC(C)N HY-B0952 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 CCCCCC(C)O HY-W015879 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 CC(C)CCCO HY-W007511 [1,0,0,0,0,0|0,0,2]=3 3 B6R0.4 CN(C)CCCCl HY-W018789 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.6 C=CCCCCO HY-W012995 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.6 CCCCCCO HY-W032022 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.6 CCC\C=C\C=O HY-128429 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [0,1,0,0,0,0|1,0,2]=4 8 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [0,1,0,0,0,0|2,0,1]=4 9 B8R0.28 CC(C)CCCC(C)N HY-B1233 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.28 CC(C)CCCC(C)N HY-B1233A [0,1,0,0,0,0|2,0,1]=4 11 B8R1.4 CC1CCN=C(N)C1 HY-138564 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.19 CC1(C)CCC=[N+]1[O-] HY-107690 [0,0,0,1,0,0|2,0,1]=4 14 B5R0.1 CC(=O)CCO HY-W051287 [2,0,0,0,0,0|1,0,1]=4 15 B5R0.1 CC(C)=CC=O HY-34409 [2,0,0,0,0,0|0,0,2]=4 16 B5R0.1 CC(C)=CCO HY-W013035 [2,0,0,0,0,0|0,0,2]=4 17 B5R0.1 CC(O)CCO HY-77490A [2,0,0,0,0,0|1,0,0]=3 18 B5R0.1 CN(C)CC=O HY-100061A [2,0,0,0,0,0|1,0,0]=3 19 B5R0.1 C[C@@H](O)CCO HY-77490 [2,0,0,0,0,0|1,0,0]=3 20 B5R0.2 CC\C=C\C=O HY-W111375 [2,0,0,0,0,0|0,0,2]=4 21 B7R0.2 [C@H](N)(CO)CC(C)C HY-W012888 [1,1,0,0,0,0|0,0,2]=4 22 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [1,1,0,0,0,0|1,0,1]=4 23 B7R0.6 CC(C)CCC(=O)O HY-W015882 [1,1,0,0,0,0|0,0,0]=2 24 B7R0.6 CC(C)CCC(=O)O HY-W015882R [1,1,0,0,0,0|0,0,0]=2 25 B7R0.8 CCCCC(C)(C)O HY-W111893 [1,1,0,0,0,0|1,0,1]=4 26 B7R0.1 CCCC\C=C\C=O HY-W127398 [1,1,0,0,0,0|1,0,0]=3 27 B9R0.55 CC(C)CCCCC(=O)O HY-W101588 [0,2,0,0,0,0|1,0,0]=3 28 B9R0.7 C[S+](C)CCC(N)C(=O)O HY-N6655 [0,2,0,0,0,0|2,0,0]=4 29 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O HY-N2551 [0,2,0,0,0,0|2,0,0]=4 30 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-101086 [0,2,0,0,0,0|1,0,0]=3 31 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-B0282 [0,2,0,0,0,0|1,0,0]=3 32 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-B0282A [0,2,0,0,0,0|1,0,0]=3 33 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-B0282R [0,2,0,0,0,0|1,0,0]=3 34 B9R0.56 CC(=O)SCC[N+](C)(C)C HY-D0904 [0,2,0,0,0,0|1,1,0]=4 35 B9R0.56 C[N+](C)(C)CCCC(=O)O HY-113270A [0,2,0,0,0,0|2,0,0]=4 36 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,1,0,0|0,0,2]=4 37 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,1,0,0|1,0,0]=3 38 B7R1.2 O=C1CCC(=O)C1 HY-75355 [1,0,0,1,0,0|1,0,1]=4 39 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.3 BrC1CCOCC1 HY-W003396 [1,0,0,1,0,0|1,0,1]=4 41 B7R1.3 CC1CCOCO1 HY-W111914 [1,0,0,1,0,0|1,0,1]=4 42 B7R1.7 C=CCC[C@@H]1CO1 HY-46575 [1,0,0,1,0,0|2,0,0]=4 43 B7R1.4 CN1CCCC1=O HY-Y1275 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.4 CN1CCNC1=O HY-W005507 [1,0,0,1,0,0|2,0,0]=4 45 B7R1.4 NC1CCSC1=O HY-101404 [1,0,0,1,0,0|1,1,0]=4 46 B7R1.4 N[C@H]1CCSC1=O HY-101404A [1,0,0,1,0,0|1,1,0]=4 47 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [1,0,0,1,0,0|1,0,0]=3 48 B9R1.66 CC1(C)CCCC(=O)C1 HY-79034 [0,1,0,1,0,0|1,0,0]=3 49 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,1,0,1,0,0|0,0,0]=2 50 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,1,0,1,0,0|0,0,0]=2 51 B9R1.35 CC(C)[C@@H]1COC(=O)N1 HY-W002320 [0,1,0,1,0,0|0,0,0]=2 52 B9R1.35 CC(C)[C@H]1COC(=O)N1 HY-W002062 [0,1,0,1,0,0|0,0,0]=2 53 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 HY-W061761 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.133 CC1(C)OC[C@H](C=O)O1 HY-I0606B [0,1,0,1,0,0|2,0,0]=4