0 B8R0.8 C=C(C)C(=O)OCCO HY-W012723 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.8 CCCCC(C)C(=O)O HY-128371 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.8 CCCCC(O)C(=O)O HY-75954 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [0,0,0,0,0,0|2,0,1]=3 5 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.8 CSCCC(O)C(=O)O HY-116688 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [0,0,0,0,0,0|3,0,1]=4 11 B8R0.8 CSCC[C@H](N)C(N)=O HY-W016256 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [0,0,0,0,0,0|3,0,1]=4 14 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [0,0,0,0,0,0|3,0,1]=4 16 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [0,0,0,0,0,0|3,0,1]=4 17 B8R0.8 NCCCC(N)C(=O)O HY-B1713A [0,0,0,0,0,0|3,0,1]=4 18 B8R0.8 NCCC[C@@H](N)C(=O)O HY-34516 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.8 NCCC[C@H](N)C(=O)O HY-A0282 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.8 NCCC[C@H](N)C(=O)O HY-B1352 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018B [0,0,0,0,0,0|3,0,1]=4 23 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018R [0,0,0,0,0,0|3,0,1]=4 24 B7R0.3 CCCCC(=O)NN HY-W012890 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.3 COC(=O)CCCBr HY-W004701 [1,0,0,0,0,0|2,0,0]=3 26 B7R0.3 COC(=O)CCCN HY-79594 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.4 CCCCCC(C)N HY-B0952 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.4 CCCCCC(C)O HY-W015879 [1,0,0,0,0,0|0,0,3]=4 29 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,0,0,0,0,0|1,0,1]=3 30 B7R0.4 NCCCCC(=O)O HY-W015878 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.4 O=C(Cl)CCCCBr HY-43538 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.5 CCCC(=O)C(=O)O HY-113098 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.5 CCCC(C)C(=O)O HY-W010516 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.5 CCCC(N)C(=O)O HY-W010510 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [1,0,0,0,0,0|1,0,0]=2 39 B7R0.5 CCOC(=O)C(N)=S HY-78216 [1,0,0,0,0,0|2,1,0]=4 40 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [1,0,0,0,0,0|2,0,1]=4 43 B9R0.7 C=C(C)C(=O)NCC(C)O HY-W077028 [0,1,0,0,0,0|2,0,0]=3 44 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636 [0,1,0,0,0,0|2,0,1]=4 45 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636C [0,1,0,0,0,0|2,0,1]=4 46 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-W013636R [0,1,0,0,0,0|2,0,1]=4 47 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] HY-W013636B [0,1,0,0,0,0|2,0,1]=4 48 B9R0.7 O=[13C](O)[13CH2][13CH2][13C](=O)[13C](=O)O HY-W013636S [0,1,0,0,0,0|2,0,1]=4 49 B9R0.8 COC(=O)[C@@H](N)CCSC HY-W014916 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.8 COC(=O)[C@H](N)CCSC HY-W014917 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.47 CNCCC[C@H](N)C(C)=O HY-126436C [0,1,0,0,0,0|1,0,1]=3 52 B9R0.47 NCCCCC(N)C(=O)O HY-B2236 [0,1,0,0,0,0|2,0,1]=4 53 B9R0.47 NCCCCC(N)C(=O)O HY-W027251 [0,1,0,0,0,0|2,0,1]=4 54 B9R0.47 NCCCC[C@@H](N)C(=O)O HY-Y1091 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0469 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0470 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W009762 [0,1,0,0,0,0|2,0,1]=4 58 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W015370 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.47 N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0469S1 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.5 N[C@H]1CCCCNC1=O HY-W015366 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.6 O=C(O)C1=CCCNC1 HY-100809 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.6 O=C(O)C1=CCCNC1 HY-N2482A [0,0,0,1,0,0|3,0,0]=4 63 B9R1.6 O=C(O)C1=CCNCC1 HY-100810 [0,0,0,1,0,0|3,0,0]=4 64 B9R1.6 O=C(O)C1CCCCC1 HY-Y1373 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669R [0,0,0,1,0,0|2,0,1]=4 66 B9R1.6 O=C(O)[C@H]1CCCCN1 HY-Y0181 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 HY-W012734 [0,0,0,1,0,0|2,0,1]=4 68 B9R1.69 CC1CN(C)CCC1=O HY-76718 [0,0,0,1,0,0|2,0,1]=4 69 B9R1.110 NC(C(=O)O)C1CCC1 HY-20834 [0,0,0,1,0,0|2,0,1]=4 70 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [0,0,0,1,0,0|2,0,1]=4 71 B9R1.163 NC1(C(=O)O)CCCC1 HY-30008 [0,0,0,1,0,0|2,0,1]=4 72 B9R0.4 CCCCC(C)OC(C)=O HY-W250126 [0,0,0,0,0,1|1,0,1]=3 73 B6R0.1 CCCC(=O)O[Na] HY-B0350A [2,0,0,0,0,0|2,0,0]=4 74 B6R0.1 COC(=O)CCN HY-W007648 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.1 COC(=O)CCO HY-42569 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.4 CCCCC(N)=O HY-W144037 [2,0,0,0,0,0|1,0,0]=3 77 B6R0.4 CCNCC(=O)O HY-W141879 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.4 CCOCC(=O)O HY-W027555 [2,0,0,0,0,0|1,0,1]=4 79 B6R0.4 CC\C=C\C(=O)O HY-W061674 [2,0,0,0,0,0|1,0,1]=4 80 B6R0.4 CSCCC(=O)O HY-101401 [2,0,0,0,0,0|1,0,1]=4 81 B6R0.4 NCCCC(=O)O HY-N0067 [2,0,0,0,0,0|1,0,1]=4 82 B6R0.4 NCCCC(=O)O HY-N0067R [2,0,0,0,0,0|1,0,1]=4 83 B6R0.6 CCC\C=C\C=O HY-128429 [2,0,0,0,0,0|0,0,1]=3 84 B6R0.3 C=C(C)C(=O)OC HY-W391506 [2,0,0,0,0,0|2,0,0]=4 85 B6R0.3 CCC(=O)C(=O)O HY-W007926 [2,0,0,0,0,0|1,0,0]=3 86 B6R0.3 CCC(=O)C(=O)O HY-W007926R [2,0,0,0,0,0|1,0,0]=3 87 B6R0.3 CCC(=O)C(C)=O HY-W012998 [2,0,0,0,0,0|0,0,0]=2 88 B6R0.3 O=C(O)C(=O)CBr HY-19992 [2,0,0,0,0,0|2,0,0]=4 89 B8R0.1 CCOC(=O)CCCN HY-W010078 [1,1,0,0,0,0|1,0,1]=4 90 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [1,1,0,0,0,0|1,0,1]=4 91 B8R0.6 CCCCCC(=O)O[Na] HY-W099696 [1,1,0,0,0,0|2,0,0]=4 92 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [1,1,0,0,0,0|1,0,1]=4 93 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [1,1,0,0,0,0|1,0,1]=4 94 B8R0.5 CCCC(O)CC(=O)O HY-113836 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.5 COCC(C)OC(C)=O HY-W133953 [1,1,0,0,0,0|2,0,0]=4 96 B8R0.7 CC(=O)NCCCCN HY-113100 [1,1,0,0,0,0|1,0,0]=3 97 B8R0.7 CC(=O)NCCCCN HY-W342604 [1,1,0,0,0,0|1,0,0]=3 98 B8R0.7 CCCCCCC(C)=O HY-W010409 [1,1,0,0,0,0|0,0,1]=3 99 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [1,1,0,0,0,0|1,0,0]=3 101 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [1,1,0,0,0,0|1,0,0]=3 102 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [1,1,0,0,0,0|1,0,0]=3 103 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [1,1,0,0,0,0|1,0,0]=3 104 B10R0.18 CCCCC(=O)CC(=O)OC HY-W099750 [0,1,0,0,0,1|0,0,0]=2 105 B10R0.18 CCOCC(=O)CC(=O)OC HY-Z0785 [0,1,0,0,0,1|1,0,0]=3 106 B10R0.96 CC(=O)CC(=O)CCC(=O)O HY-W010184 [0,1,0,0,0,1|1,0,1]=4 107 B10R0.83 C=C(C#N)C(=O)OCCCC HY-107346 [0,2,0,0,0,0|1,0,1]=4 108 B10R0.83 CCCCC[C@H](N)C(=O)NC HY-W250308 [0,2,0,0,0,0|1,0,1]=4 109 B10R0.83 CCCCC[C@H](N)C(=O)NC HY-W250308A [0,2,0,0,0,0|1,0,1]=4 110 B10R0.83 [C@H](N)(CCCCN)C(=O)OC HY-W009631 [0,2,0,0,0,0|1,0,1]=4 111 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437 [0,2,0,0,0,0|1,0,1]=4 112 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437B [0,2,0,0,0,0|1,0,1]=4 113 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437D [0,2,0,0,0,0|1,0,1]=4 114 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437E [0,2,0,0,0,0|1,0,1]=4 115 B10R0.98 O=C(O)CCCC(=O)C(=O)O HY-113227 [0,2,0,0,0,0|1,0,1]=4 116 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.5 CC1CCCCC1=O HY-W010549 [1,0,0,1,0,0|0,0,1]=3 118 B8R1.5 O=C1CCCCC1=O HY-W007347 [1,0,0,1,0,0|0,0,0]=2 119 B8R1.22 O=C1CCCCCN1 HY-W010542 [1,0,0,1,0,0|1,0,0]=3 120 B8R1.22 O=C1CCCCCO1 HY-W015891 [1,0,0,1,0,0|1,0,0]=3 121 B8R1.22 O=C1CCCCCO1 HY-W392100B [1,0,0,1,0,0|1,0,0]=3 122 B8R1.22 O=C1CCCNCC1 HY-W001845 [1,0,0,1,0,0|1,0,1]=4 123 B8R1.38 COC(=O)C1CNC1 HY-33615 [1,0,0,1,0,0|2,0,0]=4 124 B8R1.4 CC1CCN=C(N)C1 HY-138564 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [1,0,0,1,0,0|1,0,1]=4 126 B10R1.15 CCC(=O)C1CCCCC1 HY-W026029 [0,1,0,1,0,0|1,0,1]=4 127 B10R1.15 COC(=O)C1CCCCC1 HY-W007704 [0,1,0,1,0,0|1,0,1]=4