0 B9R0.47 C#CCSC[C@H](N)C(=O)O HY-W001538 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.47 C=CCSC[C@@H](N)C(=O)O HY-W048286 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.47 C=CCSC[C@H](N)C(=O)O HY-W013573 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.47 CNCCC[C@H](N)C(C)=O HY-126436C [0,0,0,0,0,0|3,0,0]=3 4 B9R0.47 NCCCCC(N)C(=O)O HY-B2236 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.47 NCCCCC(N)C(=O)O HY-W027251 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.47 NCCCC[C@@H](N)C(=O)O HY-Y1091 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0469 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0470 [0,0,0,0,0,0|2,0,0]=2 9 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W009762 [0,0,0,0,0,0|2,0,0]=2 10 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W015370 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.47 NCCSC[C@H](N)C(=O)O HY-122526 [0,0,0,0,0,0|3,0,0]=3 12 B9R0.47 N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0469S1 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O HY-140346A [0,0,0,0,0,0|4,0,0]=4 14 B8R0.6 C=CC(O)CCCCC HY-W010410 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.6 CCCCCC(O)CC HY-W099689 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.7 C#CCOCCC(=O)O HY-130504 [1,0,0,0,0,0|1,0,2]=4 17 B8R0.7 CC(=O)NCCCCN HY-113100 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.7 CC(=O)NCCCCN HY-W342604 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.7 CCCCCCC(C)=O HY-W010409 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.7 COCCOCC(=O)O HY-W1048558A [1,0,0,0,0,0|2,0,0]=3 21 B8R0.7 NCCOCCC(=O)O HY-140002 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.7 O=C(O)CCOCCO HY-116655 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.7 [N-]=[N+]=NCCCC(=O)O HY-W588704 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345 [1,0,0,0,0,0|1,0,2]=4 25 B8R0.8 CCCCC(C)C(=O)O HY-128371 [1,0,0,0,0,0|0,0,0]=1 26 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [1,0,0,0,0,0|1,0,0]=2 27 B8R0.8 CCCCC(O)C(=O)O HY-75954 [1,0,0,0,0,0|1,0,0]=2 28 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [1,0,0,0,0,0|1,0,0]=2 29 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [1,0,0,0,0,0|1,0,0]=2 30 B8R0.8 CSCCC(N)C(=O)O HY-N0325 [1,0,0,0,0,0|2,0,0]=3 31 B8R0.8 CSCCC(O)C(=O)O HY-116688 [1,0,0,0,0,0|2,0,0]=3 32 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694 [1,0,0,0,0,0|2,0,0]=3 33 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326 [1,0,0,0,0,0|2,0,0]=3 34 B8R0.8 CSCC[C@H](N)C(=O)O HY-N0326R [1,0,0,0,0,0|2,0,0]=3 35 B8R0.8 CSCC[C@H](N)C(N)=O HY-W016256 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.8 CSCC[C@H](N)[13C](=O)O HY-N0326S4 [1,0,0,0,0,0|2,0,0]=3 37 B8R0.8 CSCC[C@H]([15NH2])C(=O)O HY-N0326S [1,0,0,0,0,0|2,0,0]=3 38 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000 [1,0,0,0,0,0|2,0,0]=3 39 B8R0.8 C[Se]CCC(N)C(=O)O HY-B1000R [1,0,0,0,0,0|2,0,0]=3 40 B8R0.8 C[Se]CC[C@H](N)C(=O)O HY-B1000A [1,0,0,0,0,0|2,0,0]=3 41 B8R0.8 NCCCC(N)C(=O)O HY-B1713A [1,0,0,0,0,0|2,0,0]=3 42 B8R0.8 NCCC[C@@H](N)C(=O)O HY-34516 [1,0,0,0,0,0|2,0,0]=3 43 B8R0.8 NCCC[C@H](N)C(=O)O HY-A0282 [1,0,0,0,0,0|2,0,0]=3 44 B8R0.8 NCCC[C@H](N)C(=O)O HY-B1352 [1,0,0,0,0,0|2,0,0]=3 45 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018 [1,0,0,0,0,0|2,0,0]=3 46 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018B [1,0,0,0,0,0|2,0,0]=3 47 B8R0.8 [C@H](N)(CCCN)C(=O)O HY-W017018R [1,0,0,0,0,0|2,0,0]=3 48 B10R0.75 CCCCCCC(N)C(=O)O HY-W015461 [0,1,0,0,0,0|1,0,0]=2 49 B10R0.75 CCCCCCC(O)C(=O)O HY-W015444 [0,1,0,0,0,0|1,0,0]=2 50 B10R0.75 N[C@@H](CSCCCO)C(=O)O HY-B0393 [0,1,0,0,0,0|2,0,0]=3 51 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O HY-W042000 [0,1,0,0,0,0|2,0,1]=4 52 B10R0.82 COC(=O)CC[C@H](N)C(=O)O HY-W013678 [0,1,0,0,0,0|2,0,1]=4 53 B10R0.82 NCC(O)CCC(N)C(=O)O HY-W014930 [0,1,0,0,0,0|2,0,0]=3 54 B10R0.82 NCC(O)CCC(N)C(=O)O HY-W014930R [0,1,0,0,0,0|2,0,0]=3 55 B10R0.83 CCCCC[C@H](N)C(=O)NC HY-W250308 [0,1,0,0,0,0|2,0,0]=3 56 B10R0.83 CCCCC[C@H](N)C(=O)NC HY-W250308A [0,1,0,0,0,0|2,0,0]=3 57 B10R0.83 [C@H](N)(CCCCN)C(=O)OC HY-W009631 [0,1,0,0,0,0|2,0,0]=3 58 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437 [0,1,0,0,0,0|2,0,0]=3 59 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437B [0,1,0,0,0,0|2,0,0]=3 60 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437D [0,1,0,0,0,0|2,0,0]=3 61 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437E [0,1,0,0,0,0|2,0,0]=3 62 B10R0.98 NC(CCCC(=O)O)C(=O)O HY-113328 [0,1,0,0,0,0|2,0,1]=4 63 B10R0.98 [C@H](N)(CCCC(=O)O)C(=O)O HY-W013665 [0,1,0,0,0,0|2,0,1]=4 64 B10R0.98 [C@H](N)(CCCC(=O)O)C(=O)O HY-W013665R [0,1,0,0,0,0|2,0,1]=4 65 B10R1.23 NC(C(=O)O)C1CCCC1 HY-W040803 [0,0,0,1,0,0|1,0,0]=2 66 B10R1.113 CC1=NCC[C@@H](C(=O)O)N1 HY-107784 [0,0,0,1,0,0|2,0,1]=4 67 B10R1.113 CC1=NCC[C@@H](C(=O)O)N1 HY-107784R [0,0,0,1,0,0|2,0,1]=4 68 B10R1.113 CN1CCC=C(C(=O)O)C1 HY-N2368 [0,0,0,1,0,0|1,0,2]=4 69 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 HY-W017542 [0,0,0,1,0,0|2,0,1]=4 70 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 HY-W048995 [0,0,0,1,0,0|2,0,1]=4 71 B10R0.6 CCCCCC(O)CC(=O)O HY-113058 [0,0,0,0,0,1|1,0,0]=2 72 B7R0.1 CCCCCCCO HY-W099504 [2,0,0,0,0,0|0,0,1]=3 73 B7R0.1 CCCC\C=C\C=O HY-W127398 [2,0,0,0,0,0|0,0,2]=4 74 B7R0.1 NCCCCCCO HY-W007957 [2,0,0,0,0,0|1,0,1]=4 75 B7R0.1 OCCCCCCBr HY-W016455 [2,0,0,0,0,0|1,0,1]=4 76 B7R0.1 OCCCCCCCl HY-41681 [2,0,0,0,0,0|1,0,1]=4 77 B7R0.1 OCCCCCCO HY-W010505 [2,0,0,0,0,0|1,0,1]=4 78 B7R0.4 C#CCCCC(=O)O HY-Y0925 [2,0,0,0,0,0|0,0,2]=4 79 B7R0.4 CCCCCC(C)N HY-B0952 [2,0,0,0,0,0|1,0,0]=3 80 B7R0.4 CCCCCC(C)O HY-W015879 [2,0,0,0,0,0|0,0,0]=2 81 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [2,0,0,0,0,0|0,0,2]=4 82 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [2,0,0,0,0,0|0,0,2]=4 83 B7R0.4 NCCCCC(=O)O HY-W015878 [2,0,0,0,0,0|1,0,0]=3 84 B7R0.4 NCCOCC(=O)O HY-140643 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.4 NCCOCC(=O)O HY-140644 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.4 O=C(Cl)CCCCBr HY-43538 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.4 O=C(O)CCCCBr HY-W016456 [2,0,0,0,0,0|1,0,0]=3 88 B7R0.4 O=C(O)COCCBr HY-130163 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.4 O=C(O)COCCS HY-140730 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.5 C=CCC(C)C(=O)O HY-W012922 [2,0,0,0,0,0|0,0,2]=4 91 B7R0.5 CCCC(=O)C(=O)O HY-113098 [2,0,0,0,0,0|1,0,1]=4 92 B7R0.5 CCCC(C)C(=O)O HY-W010516 [2,0,0,0,0,0|0,0,0]=2 93 B7R0.5 CCCC(N)C(=O)O HY-W010510 [2,0,0,0,0,0|1,0,0]=3 94 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [2,0,0,0,0,0|1,0,0]=3 95 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [2,0,0,0,0,0|1,0,0]=3 96 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [2,0,0,0,0,0|0,0,2]=4 97 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [2,0,0,0,0,0|2,0,0]=4 98 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [2,0,0,0,0,0|2,0,0]=4 99 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [2,0,0,0,0,0|2,0,0]=4 100 B7R0.5 NC(CCO)C(=O)O HY-W012870 [2,0,0,0,0,0|2,0,0]=4 101 B7R0.5 NC(CCS)C(=O)O HY-W040821 [2,0,0,0,0,0|2,0,0]=4 102 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [2,0,0,0,0,0|2,0,0]=4 103 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [2,0,0,0,0,0|2,0,0]=4 104 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [2,0,0,0,0,0|2,0,0]=4 105 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [2,0,0,0,0,0|2,0,0]=4 106 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [2,0,0,0,0,0|2,0,0]=4 107 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [2,0,0,0,0,0|2,0,0]=4 108 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [2,0,0,0,0,0|2,0,0]=4 109 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [2,0,0,0,0,0|2,0,0]=4 110 B9R0.2 C#CCCCCCC(=O)O HY-69220 [1,1,0,0,0,0|0,0,1]=3 111 B9R0.2 CC(=O)NCCCCCN HY-101403 [1,1,0,0,0,0|2,0,0]=4 112 B9R0.2 CCCCCCCC(=O)O HY-41417 [1,1,0,0,0,0|0,0,0]=2 113 B9R0.2 CCCCCCCC(=O)O HY-41417R [1,1,0,0,0,0|0,0,0]=2 114 B9R0.2 CCCCC\C=C\C(=O)O HY-W046906 [1,1,0,0,0,0|0,0,1]=3 115 B9R0.2 COCCOCCC(=O)O HY-130231 [1,1,0,0,0,0|1,0,0]=3 116 B9R0.2 COCCOCCC(=O)O HY-133324 [1,1,0,0,0,0|1,0,0]=3 117 B9R0.2 NCCSSCCC(=O)O HY-140096 [1,1,0,0,0,0|2,0,0]=4 118 B9R0.2 O=C(O)CCCCCCBr HY-W007714 [1,1,0,0,0,0|0,0,0]=2 119 B9R0.2 [N-]=[N+]=NCCCCC(=O)O HY-130544 [1,1,0,0,0,0|2,0,0]=4 120 B9R0.4 CCCCC(C)OC(C)=O HY-W250126 [1,1,0,0,0,0|2,0,0]=4 121 B9R0.48 CCCC(=O)NCC(=O)O HY-113119 [1,1,0,0,0,0|1,0,1]=4 122 B9R0.55 CC(=O)NCCCC(=O)O HY-101411 [1,1,0,0,0,0|1,0,1]=4 123 B9R0.55 CC(C)CCCCC(=O)O HY-W101588 [1,1,0,0,0,0|0,0,0]=2 124 B9R0.55 O=C(O)CCCCC(=O)O HY-B2186 [1,1,0,0,0,0|1,0,1]=4 125 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522 [1,1,0,0,0,0|1,0,1]=4 126 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522R [1,1,0,0,0,0|1,0,1]=4 127 B9R0.55 O=C(O)CCCC[13C](=O)O HY-W017522S3 [1,1,0,0,0,0|1,0,1]=4 128 B9R0.7 CC(CCC(=O)O)C(=O)O HY-W017524 [1,1,0,0,0,0|1,0,1]=4 129 B9R0.7 CS(=O)CCC(N)C(=O)O HY-W010104A [1,1,0,0,0,0|2,0,0]=4 130 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770 [1,1,0,0,0,0|2,0,0]=4 131 B9R0.7 C[S+](C)CCC(N)C(=O)O HY-N6655 [1,1,0,0,0,0|2,0,0]=4 132 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O HY-N2551 [1,1,0,0,0,0|2,0,0]=4 133 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O HY-100986 [0,2,0,0,0,0|1,0,1]=4 134 B11R0.29 NC(CCCCC(=O)O)C(=O)O HY-W141876 [0,2,0,0,0,0|1,0,1]=4 135 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O HY-W141975 [0,2,0,0,0,0|1,0,1]=4 136 B11R0.42 [N-]=[N+]=NCCCC[C@@H](N)C(=O)O HY-151666A [0,2,0,0,0,0|2,0,0]=4 137 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O HY-131033 [0,2,0,0,0,0|2,0,0]=4 138 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O HY-15121 [0,2,0,0,0,0|1,0,1]=4 139 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O HY-15121R [0,2,0,0,0,0|1,0,1]=4 140 B11R0.141 CCOC(=O)CC[C@H](N)C(=O)O HY-124228 [0,2,0,0,0,0|1,0,1]=4 141 B11R0.155 CCOC(=O)[C@@H](N)CCCCN HY-W014373 [0,2,0,0,0,0|2,0,0]=4 142 B9R1.3 CN1CCCN(C)C1=O HY-Y0100 [1,0,0,1,0,0|2,0,0]=4 143 B9R1.5 N[C@H]1CCCCNC1=O HY-W015366 [1,0,0,1,0,0|2,0,0]=4 144 B9R1.6 O=C(O)C1CCCCC1 HY-Y1373 [1,0,0,1,0,0|0,0,0]=2 145 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669R [1,0,0,1,0,0|1,0,0]=3 146 B9R1.6 O=C(O)C1CCCNC1 HY-69359 [1,0,0,1,0,0|1,0,0]=3 147 B9R1.6 O=C(O)C1CCNCC1 HY-Y1176 [1,0,0,1,0,0|1,0,0]=3 148 B9R1.6 O=C(O)C1CCOCC1 HY-W002155 [1,0,0,1,0,0|1,0,0]=3 149 B9R1.6 O=C(O)[C@H]1CCCCN1 HY-Y0181 [1,0,0,1,0,0|1,0,0]=3 150 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 HY-W012734 [1,0,0,1,0,0|1,0,0]=3 151 B9R1.6 [C@H]1(C(=O)O)CCCNC1 HY-W012735 [1,0,0,1,0,0|1,0,0]=3 152 B9R1.41 CN1CCC[C@H]1C(=O)O HY-21754 [1,0,0,1,0,0|1,0,0]=3 153 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 HY-W061761 [1,0,0,1,0,0|1,0,0]=3 154 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 HY-W044620 [1,0,0,1,0,0|2,0,0]=4 155 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135 [1,0,0,1,0,0|2,0,0]=4 156 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135R [1,0,0,1,0,0|2,0,0]=4 157 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-40136 [1,0,0,1,0,0|2,0,0]=4 158 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-W019213 [1,0,0,1,0,0|2,0,0]=4 159 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 HY-76104 [1,0,0,1,0,0|2,0,0]=4 160 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-34666 [1,0,0,1,0,0|2,0,0]=4 161 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-W003511 [1,0,0,1,0,0|2,0,0]=4 162 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 HY-W008129 [1,0,0,1,0,0|2,0,0]=4 163 B9R1.110 NC(C(=O)O)C1CCC1 HY-20834 [1,0,0,1,0,0|1,0,0]=3 164 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [1,0,0,1,0,0|1,0,0]=3 165 B9R1.163 NC1(C(=O)O)CCCC1 HY-30008 [1,0,0,1,0,0|1,0,0]=3 166 B9R1.163 [2H]C1(C(=O)O)CCCN1 HY-W012908S1 [1,0,0,1,0,0|2,0,0]=4 167 B11R1.36 NC(C(=O)O)C1CCCCC1 HY-41267 [0,1,0,1,0,0|1,0,0]=3 168 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 HY-42354 [0,1,0,1,0,0|1,0,0]=3 169 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 HY-W050785 [0,1,0,1,0,0|1,0,0]=3 170 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 HY-20838B [0,1,0,1,0,0|1,0,0]=3 171 B11R1.3 NCC1CCC(C(=O)O)CC1 HY-A0102 [0,1,0,1,0,0|1,0,0]=3 172 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 HY-B0149 [0,1,0,1,0,0|1,0,0]=3 173 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 HY-B0149R [0,1,0,1,0,0|1,0,0]=3 174 B11R1.21 C=C(C)[C@@H]1CC[C@@H](C)C(=O)C1 HY-N8491A [0,1,0,1,0,0|1,0,1]=4 175 B11R0.46 CCCCCC(=O)NCC(=O)O HY-113150 [0,0,0,0,0,2|1,0,1]=4