0 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.5 CN(CCO)C(=N)N HY-160080 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.5 COCC(N)C(=O)O HY-W012871 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.1 C\C=N\N(C)C=O HY-W762013 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [1,0,0,0,0,0|0,0,2]=3 6 B6R0.3 CCC(=O)C(C)=O HY-W012998R [1,0,0,0,0,0|2,0,1]=4 7 B6R0.3 CCC(Br)C(=O)O HY-W015333 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [1,0,0,0,0,0|1,0,0]=2 9 B6R0.3 CNC(C)C(=O)O HY-W010591 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.3 O=C(O)C(=O)CO HY-113013 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 C#CCCC(=O)O HY-Y1230 [1,0,0,0,0,0|0,0,2]=3 16 B6R0.4 O=C(O)\C=C\CO HY-100982 [1,0,0,0,0,0|1,0,2]=4 17 B8R0.2 CCC(C)C(N)C(=O)O HY-W1005647 [0,1,0,0,0,0|1,0,0]=2 18 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O HY-I1070 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HY-I1060 [0,1,0,0,0,0|1,0,0]=2 20 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771R [0,1,0,0,0,0|1,0,0]=2 21 B8R0.8 C#CCCC(N)C(=O)O HY-W259668 [0,1,0,0,0,0|1,0,1]=3 22 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345A [0,1,0,0,0,0|1,0,1]=3 23 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017R [0,1,0,0,0,0|1,0,0]=2 24 B8R0.8 NOCC[C@H](N)C(=O)O HY-129476 [0,1,0,0,0,0|2,0,0]=3 25 B8R0.8 N[13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-W017018S2 [0,1,0,0,0,0|1,0,0]=2 26 B8R0.8 [13CH3]SCC[C@H](N)C(=O)O HY-N0326S3 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.8 [13CH3]S[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0326S5 [0,1,0,0,0,0|1,0,0]=2 28 B8R0.12 [2H]C([2H])(CCN)C(=O)O HY-N0067S1 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.23 CC(=O)N[C@H](C)C(=O)O HY-W012713 [0,1,0,0,0,0|1,0,1]=3 30 B8R0.23 CC(C)C[C@@H](N)C(N)=O HY-W111211 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.23 CC(C)C[C@@H](O)C(=O)O HY-30216 [0,1,0,0,0,0|1,0,0]=2 32 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O HY-N0486S3 [0,1,0,0,0,0|1,0,0]=2 33 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378R [0,1,0,0,0,0|2,0,1]=4 34 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W017444 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.23 N[C@@H](CC([15NH2])=O)C(=O)O HY-W017443S1 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.23 N[C@@H](C[13C](=O)O)[13C](=O)O HY-N0666S6 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.23 N[C@H](CC(=O)O)C(=O)O HY-42068 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.23 O=C(O)C[C@H](O)C(=O)O HY-Y1069R [0,1,0,0,0,0|2,0,1]=4 41 B8R0.23 O=[13C](O)[13CH2][13C@H](O)[13C](=O)O HY-Y1069S3 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.23 [13CH2]([13C](=O)O)[13C@H](N)[13C](=O)O HY-N0666S4 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H](N)[13C](=O)O HY-N0486S2 [0,1,0,0,0,0|1,0,0]=2 44 B8R0.23 [15NH2][C@@H](CC(=O)O)C(=O)O HY-N0666S3 [0,1,0,0,0,0|2,0,1]=4 45 B8R1.7 O=C(O)[C@@H]1CCC[15NH]1 HY-Y0252S2 [0,0,0,1,0,0|1,0,0]=2 46 B8R1.7 O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2]N1 HY-Y0252S [0,0,0,1,0,0|1,0,0]=2 47 B8R1.54 N[C@H](C(=O)O)C1CC1 HY-W005759 [0,0,0,1,0,0|1,0,0]=2 48 B5R0.1 CNCC(=O)O HY-W012791 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.1 NOCC(=O)O HY-107994A [2,0,0,0,0,0|2,0,0]=4 50 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.2 C=CCCCO HY-W010639 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.3 CC[C@H](C)CO HY-W093104 [2,0,0,0,0,0|0,0,1]=3 53 B5R0.5 CC(N)[13C](=O)O HY-N2362S [2,0,0,0,0,0|1,0,0]=3 54 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.5 C[C@H](N)C(N)=O HY-75326 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [2,0,0,0,0,0|1,0,0]=3 58 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [2,0,0,0,0,0|1,0,0]=3 59 B5R0.5 O=C(O)C(I)I HY-133659 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [2,0,0,0,0,0|1,0,0]=3 62 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [2,0,0,0,0,0|1,0,0]=3 63 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [2,0,0,0,0,0|1,0,0]=3 64 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [2,0,0,0,0,0|1,0,0]=3 66 B7R0.2 CC(C)C[C@H](N)CO HY-W015876 [1,1,0,0,0,0|1,0,1]=4 67 B7R0.10 O=C[C@H](O)[C@H](O)[13CH2]O HY-116956S3 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.16 CC(C(=O)O)C(=O)O HY-103395R [1,1,0,0,0,0|1,0,1]=4 69 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [1,1,0,0,0,0|1,0,1]=4 70 B7R0.16 CC(C)[C@H](N)[13C](=O)O HY-N0717S4 [1,1,0,0,0,0|1,0,0]=3 71 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O HY-N0717S [1,1,0,0,0,0|1,0,0]=3 72 B7R0.16 [13CH3][13C@@H](O)[13C@H](N)[13C](=O)O HY-N0658S6 [1,1,0,0,0,0|1,0,0]=3 73 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](=O)O HY-N0658S3 [1,1,0,0,0,0|1,0,0]=3 74 B7R0.16 [13CH3][13CH]([13CH3])[13C@H](N)[13C](=O)O HY-N0717S6 [1,1,0,0,0,0|1,0,0]=3 75 B7R0.4 NCCNCC(=O)O HY-W012883 [1,1,0,0,0,0|1,0,0]=3 76 B7R0.4 O=C(O)COCCO HY-W591338A [1,1,0,0,0,0|1,0,0]=3 77 B7R0.4 O=C(O)COCCO HY-W591338B [1,1,0,0,0,0|1,0,0]=3 78 B7R0.4 O=C(O)COCCS HY-140728 [1,1,0,0,0,0|1,0,0]=3 79 B7R0.6 C[S+](C)CCC(=O)O HY-W105506 [1,1,0,0,0,0|1,0,0]=3 80 B7R0.6 O=[13C](O)[13CH2][13CH2][13C](=O)O HY-N0420S2 [1,1,0,0,0,0|1,0,1]=4 81 B9R0.14 CCC[C@@H](CBr)CC(=O)O HY-Z6843 [0,1,0,0,0,1|0,0,0]=2 82 B9R0.34 CCCC(=O)CC(=O)OC HY-W005176 [0,1,0,0,0,1|1,0,1]=4 83 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO HY-121305A [0,2,0,0,0,0|2,0,0]=4 84 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO HY-121305B [0,2,0,0,0,0|2,0,0]=4 85 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO HY-113317 [0,2,0,0,0,0|2,0,0]=4 86 B9R0.27 [C@@H](O)(C(=O)CO)[C@H](O)CO HY-W010256 [0,2,0,0,0,0|2,0,0]=4 87 B9R0.8 CSCCC(=O)C(=O)O[Na] HY-135046 [0,2,0,0,0,0|1,0,1]=4 88 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770A [0,2,0,0,0,0|1,0,0]=3 89 B9R0.7 NC(=O)CC[13C@H](N)[13C](=O)O HY-N0390S10 [0,2,0,0,0,0|1,0,1]=4 90 B9R0.7 NC(=O)CC[C@H](N)[13C](=O)O HY-N0390S5 [0,2,0,0,0,0|1,0,1]=4 91 B9R0.7 N[13C](=O)[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0390S1 [0,2,0,0,0,0|1,0,1]=4 92 B9R0.7 N[C@@H](CCC([15NH2])=O)C(=O)O HY-N0390S9 [0,2,0,0,0,0|1,0,1]=4 93 B9R0.7 O=C(O)CCC(O)C(=O)O HY-113038B [0,2,0,0,0,0|1,0,1]=4 94 B9R0.7 O=C(O)CC[C@H](O)C(=O)O HY-113039 [0,2,0,0,0,0|1,0,1]=4 95 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S8 [0,2,0,0,0,0|1,0,1]=4 96 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O HY-14608S3 [0,2,0,0,0,0|1,0,1]=4 97 B9R0.7 [15NH2][13C](=O)[13CH2][13CH2][13C@H]([15NH2])[13C](=O)O HY-N0390S6 [0,2,0,0,0,0|1,0,1]=4 98 B9R0.42 C[C@H](NC(=O)CN)C(=O)O HY-W141910 [0,2,0,0,0,0|1,0,1]=4 99 B9R0.47 CCCCCC(C)C(=O)O HY-W015664 [0,2,0,0,0,0|0,0,0]=2 100 B9R0.47 CCSCCC(N)C(=O)O HY-W017202 [0,2,0,0,0,0|1,0,0]=3 101 B9R0.47 CCSCC[C@H](N)C(=O)O HY-W017200 [0,2,0,0,0,0|1,0,0]=3 102 B9R0.47 CC[Se]CCC(N)C(=O)O HY-W585825 [0,2,0,0,0,0|1,0,0]=3 103 B9R0.47 CNCCC[C@H](N)C(C)=O HY-126436A [0,2,0,0,0,0|2,0,0]=4 104 B9R0.47 NCCCC[C@@H](N)C(=O)O HY-Y1804 [0,2,0,0,0,0|1,0,0]=3 105 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0469R [0,2,0,0,0,0|1,0,0]=3 106 B9R0.47 NCCCC[C@H](N)[13C](=O)O HY-N0470S2 [0,2,0,0,0,0|1,0,0]=3 107 B9R0.47 NCCCC[C@H]([15NH2])C(=O)O HY-W009762S7 [0,2,0,0,0,0|1,0,0]=3 108 B9R0.47 [15NH2]CCCC[C@H]([15NH2])C(=O)O HY-N0470S [0,2,0,0,0,0|1,0,0]=3 109 B9R0.47 [C@H](N)(CCCCN)C(=O)O HY-W014606 [0,2,0,0,0,0|1,0,0]=3 110 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O HY-151723 [0,2,0,0,0,0|2,0,0]=4 111 B9R0.39 CC(=O)N[C@H](CS)C(=O)O HY-136386 [0,2,0,0,0,0|1,0,1]=4 112 B9R0.39 CN[C@@H](CC(C)C)C(=O)O HY-W128028 [0,2,0,0,0,0|0,0,0]=2 113 B9R0.39 [C@@H](CC(C)C)(NC)C(=O)O HY-W008140 [0,2,0,0,0,0|0,0,0]=2 114 B7R1.1 O=CN1CCCC1 HY-W102648 [1,0,0,1,0,0|1,0,0]=3 115 B7R1.1 O=NN1CCCC1 HY-W141077 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.3 CC1=CCCCC1 HY-W004338 [1,0,0,1,0,0|1,0,1]=4 117 B7R1.4 CC1OCCC1=O HY-W010608 [1,0,0,1,0,0|1,0,0]=3 118 B7R1.19 NC1(C(=O)O)CC1 HY-30004 [1,0,0,1,0,0|1,0,0]=3 119 B7R1.19 NC1(C(=O)O)CC1 HY-30004R [1,0,0,1,0,0|1,0,0]=3 120 B9R1.3 CC1C(=O)CCCC1=O HY-W018778 [0,1,0,1,0,0|1,0,1]=4 121 B9R1.11 O=C(O[Na])C1=NCCC1 HY-138354A [0,1,0,1,0,0|1,0,1]=4 122 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669 [0,1,0,1,0,0|0,0,0]=2 123 B9R1.163 C[C@@]1(C(=O)O)CCCN1 HY-76962 [0,1,0,1,0,0|0,0,0]=2