0 B8R0.1 CCOC(=O)CCCN HY-W010078 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.1 CCOC(=O)CNC=O HY-W141893 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 CCCCCCCO HY-W099504 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.1 CCCC\C=C\C=O HY-W127398 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.1 CCCSSCCC HY-W196803 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.3 CCCCC(=O)NN HY-W012890 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.3 COC(=O)CCCBr HY-W004701 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.3 COC(=O)CCCN HY-79594 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.3 O=C(CNCO)O[Na] HY-W018420 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.7 CCOC(=O)CCN HY-Y1153 [1,0,0,0,0,0|1,0,0]=2 11 B9R0.4 CCCCC(C)OC(C)=O HY-W250126 [0,1,0,0,0,0|1,0,2]=4 12 B9R0.5 CCC\C=C\C(=O)OCC HY-W017567 [0,1,0,0,0,0|0,0,1]=2 13 B9R0.18 C=CCOC(=O)NCCN HY-145735 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.18 C=CCOC(=O)NCCN HY-W098764 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.34 CCOC(=O)CC(=O)CC HY-78211 [0,1,0,0,0,0|0,0,1]=2 16 B9R0.34 CCOC(=O)CC(=O)O[K] HY-Y1031A [0,1,0,0,0,0|2,0,1]=4 17 B9R0.35 CCCC(C)C(=O)OCC HY-W015667 [0,1,0,0,0,0|0,0,0]=1 18 B9R0.35 CCC[C@H](N)C(=O)OCC HY-75949 [0,1,0,0,0,0|0,0,0]=1 19 B9R0.48 CCOC(=O)CNC(C)=O HY-W015651 [0,1,0,0,0,0|1,0,1]=3 20 B9R1.48 O=C1CCCCC(=O)C1 HY-W002860 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.73 CCOC(=O)C1CNC1 HY-W052600 [0,0,0,1,0,0|1,0,0]=2 22 B6R0.6 C(CO)=CCCC HY-W015936 [2,0,0,0,0,0|1,0,1]=4 23 B6R0.6 CCCCCCO HY-W032022 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.6 CC\C=C/CCO HY-W010607 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.1 C=CCC(=O)OC HY-W105369 [2,0,0,0,0,0|0,0,2]=4 26 B6R0.1 CCCC(=O)O[Na] HY-B0350A [2,0,0,0,0,0|1,0,0]=3 27 B6R0.1 CCOC(=O)CN HY-76204 [2,0,0,0,0,0|1,0,0]=3 28 B6R0.1 COC(=O)CCN HY-W007648 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.1 COC(=O)CCO HY-42569 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.1 COC(=O)OCCl HY-43384 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.1 O=C(CCO)O[Na] HY-W095705A [2,0,0,0,0,0|2,0,0]=4 32 B6R0.4 C=CCCC(=O)O HY-Y0624 [2,0,0,0,0,0|0,0,2]=4 33 B6R0.4 CCCCB(O)O HY-W000932 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.4 CCCCC(N)=O HY-W144037 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.4 CCNCC(=O)O HY-W141879 [2,0,0,0,0,0|1,0,0]=3 36 B6R0.4 CCOCC(=O)O HY-W027555 [2,0,0,0,0,0|1,0,0]=3 37 B6R0.4 CC\C=C\C(=O)O HY-W061674 [2,0,0,0,0,0|0,0,2]=4 38 B6R0.4 CSCCC(=O)O HY-101401 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.4 C\C=C\CC(=O)O HY-W088501 [2,0,0,0,0,0|0,0,2]=4 40 B6R0.4 NCCCC(=O)O HY-N0067 [2,0,0,0,0,0|1,0,0]=3 41 B6R0.4 NCCCC(=O)O HY-N0067R [2,0,0,0,0,0|1,0,0]=3 42 B8R0.4 CCCCCCCCBr HY-W032015 [1,1,0,0,0,0|1,0,1]=4 43 B8R0.4 CCCCCCCCN HY-W032014 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.4 CCCCCCCCO HY-W032013 [1,1,0,0,0,0|1,0,1]=4 45 B8R0.4 CCCCSCCCC HY-W250123 [1,1,0,0,0,0|1,0,1]=4 46 B8R0.4 CC\C=C/CCCCO HY-W101301 [1,1,0,0,0,0|1,0,0]=3 47 B8R0.6 CCCCCC(O)CC HY-W099689 [1,1,0,0,0,0|1,0,1]=4 48 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [1,1,0,0,0,0|0,0,1]=3 49 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [1,1,0,0,0,0|0,0,1]=3 50 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [1,1,0,0,0,0|0,0,1]=3 51 B8R0.19 COC(=O)CC(=O)OC HY-Y1787 [1,1,0,0,0,0|1,0,1]=4 52 B8R0.25 CCCCS(=O)(=O)O[Na] HY-W017224 [1,1,0,0,0,0|2,0,0]=4 53 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [1,1,0,0,0,0|0,0,2]=4 54 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [1,1,0,0,0,0|1,0,1]=4 55 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [1,1,0,0,0,0|0,0,1]=3 56 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [1,1,0,0,0,0|0,0,0]=2 57 B8R0.5 CCOC(=O)CN(C)C HY-W012705 [1,1,0,0,0,0|1,0,0]=3 58 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [1,1,0,0,0,0|0,0,0]=2 59 B8R0.5 CCOC(=O)C[N+](=O)[O-] HY-76486 [1,1,0,0,0,0|2,0,0]=4 60 B10R0.18 CCCCC(=O)CC(=O)OC HY-W099750 [0,2,0,0,0,0|1,0,1]=4 61 B10R0.18 CCOCC(=O)CC(=O)OC HY-Z0785 [0,2,0,0,0,0|1,0,1]=4 62 B10R0.28 CC(C)(C)OC(=O)CCCO HY-W019095 [0,2,0,0,0,0|1,0,0]=3 63 B10R0.28 CC(C)(C)OC(=O)NCCN HY-40171 [0,2,0,0,0,0|2,0,0]=4 64 B10R0.28 CC(C)(C)OC(=O)NCCO HY-W007322 [0,2,0,0,0,0|2,0,0]=4 65 B10R0.28 CC(C)(C)OC(=O)NCCS HY-134853 [0,2,0,0,0,0|2,0,0]=4 66 B10R0.32 CCOC(=O)C(O)CC(C)C HY-W114581 [0,2,0,0,0,0|0,0,0]=2 67 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC HY-W009892 [0,2,0,0,0,0|0,0,0]=2 68 B10R0.1 CCCCCCC(=O)OCC HY-W010177 [0,2,0,0,0,0|0,0,0]=2 69 B10R0.1 CCOC(=O)CCCCCBr HY-W041970 [0,2,0,0,0,0|0,0,0]=2 70 B10R0.2 CCCC(=O)CC(=O)OCC HY-W015487 [0,2,0,0,0,0|0,0,0]=2 71 B10R0.2 CCOC(=O)OC(=O)OCC HY-D0846 [0,2,0,0,0,0|1,0,1]=4 72 B10R0.19 CCOC(=O)[C@@H](N)CCSC HY-W052212 [0,2,0,0,0,0|0,0,0]=2 73 B10R0.91 CCCCCC(=O)OCCC HY-W013616 [0,2,0,0,0,0|0,0,0]=2 74 B10R0.108 CCOC(=O)CNC(=O)CN HY-W153793 [0,2,0,0,0,0|1,0,1]=4 75 B10R0.16 CCCCN(CCCC)N=O HY-131113 [0,2,0,0,0,0|2,0,0]=4 76 B8R1.2 OCC1CCOCC1 HY-79631 [1,0,0,1,0,0|1,0,1]=4 77 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [1,0,0,1,0,0|1,0,0]=3 78 B8R1.3 C[C@H]1CC[C@H](N)CC1 HY-W010538 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.3 O=C1CCC(=O)CC1 HY-W010554 [1,0,0,1,0,0|1,0,1]=4 80 B8R1.38 COC(=O)C1CNC1 HY-33615 [1,0,0,1,0,0|1,0,0]=3 81 B8R1.52 CC[N+]1(C)CCCC1 HY-W127700 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.4 CC1CCN=C(N)C1 HY-138564 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.18 CC1CC(=O)OC1=O HY-Z0059 [1,0,0,1,0,0|1,0,1]=4 84 B10R1.17 BrCCOC1CCCCC1 HY-W092895 [0,1,0,1,0,0|1,0,1]=4 85 B10R1.17 OCCOC1CCCCO1 HY-W038771 [0,1,0,1,0,0|0,0,2]=4 86 B10R1.149 CCC(C)N1CCCC1=O HY-B2234 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.64 CC(=O)N[C@H]1CCOC1=O HY-W243002 [0,1,0,1,0,0|1,0,1]=4 88 B10R2.71 O=C1CC2CCC(C1)N2 HY-76030 [0,0,0,2,0,0|2,0,0]=4