0 B8R0.8 C#CCCC(N)C(=O)O HY-W259668 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345A [0,0,0,0,0,0|1,0,2]=3 2 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017R [0,0,0,0,0,0|1,0,0]=1 3 B8R0.8 NOCC[C@H](N)C(=O)O HY-129476 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.8 N[13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-W017018S2 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.8 [13CH3]SCC[C@H](N)C(=O)O HY-N0326S3 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.8 [13CH3]S[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0326S5 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.4 NCCNCC(=O)O HY-W012883 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 O=C(O)COCCO HY-W591338A [1,0,0,0,0,0|2,0,0]=3 9 B7R0.4 O=C(O)COCCO HY-W591338B [1,0,0,0,0,0|2,0,0]=3 10 B7R0.4 O=C(O)COCCS HY-140728 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.5 COCC(N)C(=O)O HY-W012871 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [1,0,0,0,0,0|2,0,0]=3 14 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770A [0,1,0,0,0,0|2,0,0]=3 15 B9R0.7 NC(=O)CC[13C@H](N)[13C](=O)O HY-N0390S10 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.7 NC(=O)CC[C@H](N)[13C](=O)O HY-N0390S5 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.7 N[13C](=O)[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0390S1 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.7 N[C@@H](CCC([15NH2])=O)C(=O)O HY-N0390S9 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.7 O=C(O)CCC(O)C(=O)O HY-113038B [0,1,0,0,0,0|2,0,1]=4 20 B9R0.7 O=C(O)CC[C@H](O)C(=O)O HY-113039 [0,1,0,0,0,0|2,0,1]=4 21 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S8 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O HY-14608S3 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.7 [15NH2][13C](=O)[13CH2][13CH2][13C@H]([15NH2])[13C](=O)O HY-N0390S6 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.8 CSCCC(=O)C(=O)O[Na] HY-135046 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.42 C[C@H](NC(=O)CN)C(=O)O HY-W141910 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.47 CCCCCC(C)C(=O)O HY-W015664 [0,1,0,0,0,0|0,0,0]=1 27 B9R0.47 CCSCCC(N)C(=O)O HY-W017202 [0,1,0,0,0,0|1,0,0]=2 28 B9R0.47 CCSCC[C@H](N)C(=O)O HY-W017200 [0,1,0,0,0,0|1,0,0]=2 29 B9R0.47 CC[Se]CCC(N)C(=O)O HY-W585825 [0,1,0,0,0,0|1,0,0]=2 30 B9R0.47 CNCCC[C@H](N)C(C)=O HY-126436A [0,1,0,0,0,0|2,0,0]=3 31 B9R0.47 NCCCC[C@@H](N)C(=O)O HY-Y1804 [0,1,0,0,0,0|1,0,0]=2 32 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0469R [0,1,0,0,0,0|1,0,0]=2 33 B9R0.47 NCCCC[C@H](N)[13C](=O)O HY-N0470S2 [0,1,0,0,0,0|1,0,0]=2 34 B9R0.47 NCCCC[C@H]([15NH2])C(=O)O HY-W009762S7 [0,1,0,0,0,0|1,0,0]=2 35 B9R0.47 [15NH2]CCCC[C@H]([15NH2])C(=O)O HY-N0470S [0,1,0,0,0,0|1,0,0]=2 36 B9R0.47 [C@H](N)(CCCCN)C(=O)O HY-W014606 [0,1,0,0,0,0|1,0,0]=2 37 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O HY-151723 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669 [0,0,0,1,0,0|1,0,0]=2 39 B9R1.163 C[C@@]1(C(=O)O)CCCN1 HY-76962 [0,0,0,1,0,0|1,0,0]=2 40 B6R0.4 C#CCCC(=O)O HY-Y1230 [2,0,0,0,0,0|0,0,2]=4 41 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [2,0,0,0,0,0|0,0,2]=4 42 B6R0.3 CCC(Br)C(=O)O HY-W015333 [2,0,0,0,0,0|1,0,0]=3 43 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [2,0,0,0,0,0|1,0,0]=3 44 B6R0.3 CNC(C)C(=O)O HY-W010591 [2,0,0,0,0,0|1,0,0]=3 45 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [2,0,0,0,0,0|2,0,0]=4 49 B8R0.7 C#CCCCCC(=O)O HY-34643 [1,1,0,0,0,0|0,0,1]=3 50 B8R0.7 CC(=O)NCCCCN HY-W342604R [1,1,0,0,0,0|2,0,0]=4 51 B8R0.7 CCCC\C=C\C(=O)O HY-W107869 [1,1,0,0,0,0|0,0,1]=3 52 B8R0.7 NCCCCCC(=O)O HY-B0236 [1,1,0,0,0,0|0,0,0]=2 53 B8R0.7 NCCCNCC(=O)O HY-W077223 [1,1,0,0,0,0|1,0,0]=3 54 B8R0.7 O=C(O)CCCCCO HY-W105750 [1,1,0,0,0,0|0,0,0]=2 55 B8R0.7 O=C(O)CCOCCBr HY-130425 [1,1,0,0,0,0|1,0,0]=3 56 B8R0.21 NCCCCP(=O)(O)O HY-W018502 [1,1,0,0,0,0|2,0,0]=4 57 B8R0.21 [2H]C([2H])(O)CCCCC HY-W032022S2 [1,1,0,0,0,0|1,0,1]=4 58 B8R0.2 CCC(C)C(N)C(=O)O HY-W1005647 [1,1,0,0,0,0|1,0,0]=3 59 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O HY-I1070 [1,1,0,0,0,0|1,0,0]=3 60 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HY-I1060 [1,1,0,0,0,0|1,0,0]=3 61 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771R [1,1,0,0,0,0|1,0,0]=3 62 B8R0.12 [2H]C([2H])(CCN)C(=O)O HY-N0067S1 [1,1,0,0,0,0|2,0,0]=4 63 B8R0.23 CC(=O)N[C@H](C)C(=O)O HY-W012713 [1,1,0,0,0,0|1,0,1]=4 64 B8R0.23 CC(C)C[C@@H](N)C(N)=O HY-W111211 [1,1,0,0,0,0|2,0,0]=4 65 B8R0.23 CC(C)C[C@@H](O)C(=O)O HY-30216 [1,1,0,0,0,0|1,0,0]=3 66 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O HY-N0486S3 [1,1,0,0,0,0|1,0,0]=3 67 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H](N)[13C](=O)O HY-N0486S2 [1,1,0,0,0,0|1,0,0]=3 68 B10R0.92 CC(C)(C)SC[C@H](N)C(=O)O HY-W014238 [0,2,0,0,0,0|2,0,0]=4 69 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O HY-B1692 [0,2,0,0,0,0|2,0,0]=4 70 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O HY-101310 [0,2,0,0,0,0|1,0,1]=4 71 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437C [0,2,0,0,0,0|1,0,0]=3 72 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437H [0,2,0,0,0,0|1,0,0]=3 73 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437I [0,2,0,0,0,0|1,0,0]=3 74 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437J [0,2,0,0,0,0|1,0,0]=3 75 B10R0.98 O=C(O)CCCC(O)C(=O)O HY-113101 [0,2,0,0,0,0|1,0,1]=4 76 B8R1.7 O=C(O)[C@@H]1CCC[15NH]1 HY-Y0252S2 [1,0,0,1,0,0|1,0,0]=3 77 B8R1.7 O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2]N1 HY-Y0252S [1,0,0,1,0,0|1,0,0]=3 78 B8R1.54 N[C@H](C(=O)O)C1CC1 HY-W005759 [1,0,0,1,0,0|1,0,0]=3 79 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 HY-33259 [0,1,0,1,0,0|1,0,0]=3 80 B10R1.23 [C@@H](N)(C(=O)O)C1CCCC1 HY-W008530 [0,1,0,1,0,0|1,0,0]=3 81 B10R1.34 O=C1O[C@H](CO)[C@@H](O)[C@H]1O HY-76691 [0,1,0,1,0,0|2,0,0]=4 82 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 HY-W016429 [0,1,0,1,0,0|2,0,0]=4 83 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 HY-76105 [0,1,0,1,0,0|2,0,0]=4 84 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 HY-W006629 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.477 CC[C@@]1(C(=O)O)CCCN1 HY-75870 [0,1,0,1,0,0|1,0,0]=3 86 B10R1.113 CN1CCC=C(C(=O)O)C1 HY-N2368A [0,1,0,1,0,0|0,0,2]=4 87 B10R1.113 CN1CCC=C(C(=O)O)C1 HY-N2368B [0,1,0,1,0,0|0,0,2]=4