0 B8R0.6 CCCCCC(=O)O[Na] HY-W099696 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.6 CCCCCC(O)CC HY-W099689 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.6 C\C=C\C=C\C(=O)OC HY-W068700 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.1 CSCCCN=C=S HY-121204 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.3 CCCCC(=O)NN HY-W012890 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.3 COC(=O)CCCBr HY-W004701 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.3 COC(=O)CCCN HY-79594 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [1,0,0,0,0,0|0,1,2]=4 8 B7R0.3 O=C(CNCO)O[Na] HY-W018420 [1,0,0,0,0,0|2,1,0]=4 9 B7R0.4 C#CCCCC(=O)O HY-Y0925 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.4 C#CCNCC(=O)O HY-142035 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.4 CCCCCC(C)N HY-B0952 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.4 CCCCCC(C)O HY-W015879 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.4 NCCCCC(=O)O HY-W015878 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.4 NCCOCC(=O)O HY-140643 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.4 NCCOCC(=O)O HY-140644 [1,0,0,0,0,0|3,0,0]=4 18 B7R0.4 O=C(Cl)CCCCBr HY-43538 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.4 O=C(O)COCCBr HY-130163 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.4 O=C(O)COCCS HY-140730 [1,0,0,0,0,0|3,0,0]=4 22 B9R0.1 COC(=O)CCCC(=O)O HY-W017523 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.5 CCC\C=C\C(=O)OCC HY-W017567 [0,1,0,0,0,0|1,0,2]=4 24 B9R0.8 COC(=O)[C@@H](N)CCSC HY-W014916 [0,1,0,0,0,0|0,0,0]=1 25 B9R0.8 COC(=O)[C@H](N)CCSC HY-W014917 [0,1,0,0,0,0|0,0,0]=1 26 B9R0.20 CCCCCS(=O)(=O)O[Na] HY-W016791 [0,1,0,0,0,0|3,0,0]=4 27 B9R0.24 COC(=O)CCC(=O)CN HY-A0169A [0,1,0,0,0,0|2,0,1]=4 28 B9R0.24 COC(=O)CCC(=O)OC HY-Y0808 [0,1,0,0,0,0|0,1,1]=3 29 B9R0.34 CCCC(O)CC(=O)OC HY-116632 [0,1,0,0,0,0|1,0,0]=2 30 B9R0.46 CCCCCCC(=O)OC HY-141610 [0,1,0,0,0,0|1,0,0]=2 31 B9R0.46 CCCCCCC(=O)O[Na] HY-42935A [0,1,0,0,0,0|2,0,0]=3 32 B9R1.11 COC(=O)[C@@H]1CCCN1 HY-76134 [0,0,0,1,0,0|2,0,0]=3 33 B6R0.6 CCCCCCO HY-W032022 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.1 C=CCC(=O)OC HY-W105369 [2,0,0,0,0,0|0,0,2]=4 35 B6R0.1 CCCC(=O)O[Na] HY-B0350A [2,0,0,0,0,0|1,0,0]=3 36 B6R0.1 COC(=O)CCN HY-W007648 [2,0,0,0,0,0|1,0,0]=3 37 B6R0.1 COC(=O)CCO HY-42569 [2,0,0,0,0,0|0,1,0]=3 38 B6R0.1 COC(=O)OCCl HY-43384 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.1 O=C(CCO)O[Na] HY-W095705A [2,0,0,0,0,0|1,1,0]=4 40 B6R0.4 C=CCCC(=O)O HY-Y0624 [2,0,0,0,0,0|0,0,2]=4 41 B6R0.4 CCCCB(O)O HY-W000932 [2,0,0,0,0,0|1,0,1]=4 42 B6R0.4 CCCCC(N)=O HY-W144037 [2,0,0,0,0,0|1,0,0]=3 43 B6R0.4 CCNCC(=O)O HY-W141879 [2,0,0,0,0,0|1,0,0]=3 44 B6R0.4 CCOCC(=O)O HY-W027555 [2,0,0,0,0,0|1,0,0]=3 45 B6R0.4 CC\C=C\C(=O)O HY-W061674 [2,0,0,0,0,0|0,0,2]=4 46 B6R0.4 CSCCC(=O)O HY-101401 [2,0,0,0,0,0|0,0,0]=2 47 B6R0.4 C\C=C\CC(=O)O HY-W088501 [2,0,0,0,0,0|0,0,2]=4 48 B6R0.4 NCCCC(=O)O HY-N0067 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.4 NCCCC(=O)O HY-N0067R [2,0,0,0,0,0|1,0,0]=3 50 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [1,1,0,0,0,0|0,0,1]=3 51 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [1,1,0,0,0,0|0,0,1]=3 52 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [1,1,0,0,0,0|0,0,1]=3 53 B8R0.19 COC(=O)CC(=O)OC HY-Y1787 [1,1,0,0,0,0|0,1,1]=4 54 B8R0.25 CCCCS(=O)(=O)O[Na] HY-W017224 [1,1,0,0,0,0|2,0,0]=4 55 B8R0.5 CCCC(O)CC(=O)O HY-113836 [1,1,0,0,0,0|1,0,0]=3 56 B8R0.5 COCC(C)OC(C)=O HY-W133953 [1,1,0,0,0,0|1,1,0]=4 57 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [1,1,0,0,0,0|1,0,1]=4 58 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [1,1,0,0,0,0|1,0,0]=3 59 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [1,1,0,0,0,0|2,0,0]=4 60 B8R0.28 O=C(O)CCCC(=O)O HY-W008820 [1,1,0,0,0,0|2,0,0]=4 61 B8R0.28 O=C(O)CCCC(=O)O HY-W008820R [1,1,0,0,0,0|2,0,0]=4 62 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O HY-W015425 [0,2,0,0,0,0|2,0,0]=4 63 B10R0.59 COC(=O)CCCC(=O)OC HY-W089014 [0,2,0,0,0,0|0,1,0]=3 64 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O HY-W042000 [0,2,0,0,0,0|2,0,0]=4 65 B10R0.82 COC(=O)CC[C@H](N)C(=O)O HY-W013678 [0,2,0,0,0,0|2,0,0]=4 66 B10R0.1 CCCCCCC(=O)OCC HY-W010177 [0,2,0,0,0,0|1,0,0]=3 67 B10R0.1 CCOC(=O)CCCCCBr HY-W041970 [0,2,0,0,0,0|1,0,0]=3 68 B10R0.2 CCCC(=O)CC(=O)OCC HY-W015487 [0,2,0,0,0,0|1,0,1]=4 69 B10R0.19 CCOC(=O)[C@@H](N)CCSC HY-W052212 [0,2,0,0,0,0|0,0,0]=2 70 B10R0.83 CCCCC[C@H](N)C(=O)NC HY-W250308 [0,2,0,0,0,0|2,0,0]=4 71 B10R0.83 CCCCC[C@H](N)C(=O)NC HY-W250308A [0,2,0,0,0,0|2,0,0]=4 72 B10R0.83 [C@H](N)(CCCCN)C(=O)OC HY-W009631 [0,2,0,0,0,0|1,0,0]=3 73 B10R0.91 CCCCCC(=O)OCCC HY-W013616 [0,2,0,0,0,0|1,0,0]=3 74 B10R0.46 COC(=O)CC(N)C(=O)OC HY-W067478 [0,2,0,0,0,0|0,1,1]=4 75 B10R0.46 [C@H](N)(CC(=O)OC)C(=O)OC HY-W009840 [0,2,0,0,0,0|0,1,1]=4 76 B10R0.18 CCCCC(=O)CC(=O)OC HY-W099750 [0,2,0,0,0,0|1,0,0]=3 77 B10R0.18 CCOCC(=O)CC(=O)OC HY-Z0785 [0,2,0,0,0,0|0,1,1]=4 78 B10R0.74 CCCCCC#CC(=O)OC HY-W013576 [0,2,0,0,0,0|1,0,0]=3 79 B10R0.74 CCCCCCCC(=O)OC HY-W087943 [0,2,0,0,0,0|1,0,0]=3 80 B10R0.74 CCCCCCCC(=O)O[Na] HY-W015339 [0,2,0,0,0,0|2,0,0]=4 81 B10R0.74 CCCCC\C=C\C(=O)OC HY-W039379 [0,2,0,0,0,0|1,0,0]=3 82 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.38 COC(=O)C1CNC1 HY-33615 [1,0,0,1,0,0|1,0,0]=3 84 B8R1.4 O=C1CCCC(=O)C1 HY-W007466 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.7 O=C(O)C1CSCN1 HY-B1169 [1,0,0,1,0,0|1,0,0]=3 87 B8R1.7 O=C(O)C1CSSC1 HY-50730 [1,0,0,1,0,0|1,0,0]=3 88 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [1,0,0,1,0,0|2,0,0]=4 91 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [1,0,0,1,0,0|1,0,0]=3 92 B8R1.7 O=C(O)[C@@H]1CSCN1 HY-W012676 [1,0,0,1,0,0|1,0,0]=3 93 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [1,0,0,1,0,0|2,0,0]=4 95 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 HY-W057459 [0,1,0,1,0,0|1,0,0]=3 96 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 HY-76043 [0,1,0,1,0,0|2,0,0]=4 97 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 HY-W038877 [0,1,0,1,0,0|2,0,0]=4 98 B10R1.15 CCC(=O)C1CCCCC1 HY-W026029 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.15 COC(=O)C1CCCCC1 HY-W007704 [0,1,0,1,0,0|1,0,0]=3 100 B10R1.15 COC(=O)C1CNCCN1 HY-W037893 [0,1,0,1,0,0|1,0,0]=3