0 B7R0.6 C[S+](C)CCC(=O)O HY-W105506 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 O=[13C](O)[13CH2][13CH2][13C](=O)O HY-N0420S2 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.6 O=[13C](O)\C=C\[13C](=O)O HY-W015883S1 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.4 C#CCCC(=O)O HY-Y1230 [1,0,0,0,0,0|0,0,2]=3 4 B8R0.9 C=CC(N)CCC(=O)O HY-15399 [0,1,0,0,0,0|1,0,2]=4 5 B8R0.9 NCC(=O)CCC(=O)O HY-W000450 [0,1,0,0,0,0|0,0,0]=1 6 B8R0.9 NCC(=O)NCC(=O)O HY-D0889 [0,1,0,0,0,0|1,0,0]=2 7 B8R0.23 CC(=O)N[C@H](C)C(=O)O HY-W012713 [0,1,0,0,0,0|1,0,0]=2 8 B8R0.23 CC(C)C(N)CC(=O)O HY-W012708 [0,1,0,0,0,0|1,0,1]=3 9 B8R0.23 CC(C)C[C@@H](N)C(N)=O HY-W111211 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.23 CC(C)C[C@@H](O)C(=O)O HY-30216 [0,1,0,0,0,0|1,0,1]=3 11 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O HY-N0486S3 [0,1,0,0,0,0|1,0,1]=3 12 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378R [0,1,0,0,0,0|1,0,0]=2 13 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W017444 [0,1,0,0,0,0|1,0,0]=2 14 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667 [0,1,0,0,0,0|1,0,0]=2 15 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666 [0,1,0,0,0,0|1,0,0]=2 16 B8R0.23 N[C@@H](CC([15NH2])=O)C(=O)O HY-W017443S1 [0,1,0,0,0,0|1,0,0]=2 17 B8R0.23 N[C@@H](C[13C](=O)O)[13C](=O)O HY-N0666S6 [0,1,0,0,0,0|1,0,0]=2 18 B8R0.23 N[C@H](CC(=O)O)C(=O)O HY-42068 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.23 O=C(O)C[C@H](O)C(=O)O HY-Y1069R [0,1,0,0,0,0|1,0,0]=2 20 B8R0.23 O=[13C](O)[13CH2][13C@H](O)[13C](=O)O HY-Y1069S3 [0,1,0,0,0,0|1,0,0]=2 21 B8R0.23 [13CH2]([13C](=O)O)[13C@H](N)[13C](=O)O HY-N0666S4 [0,1,0,0,0,0|1,0,0]=2 22 B8R0.23 [13CH2]=[13C]([13CH2][13C](=O)O)[13C](=O)O HY-Y0520S [0,1,0,0,0,0|1,0,1]=3 23 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H](N)[13C](=O)O HY-N0486S2 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.23 [15NH2][C@@H](CC(=O)O)C(=O)O HY-N0666S3 [0,1,0,0,0,0|1,0,0]=2 25 B6R0.2 CC(=O)CC(=O)O HY-112540 [0,0,0,0,1,0|0,0,0]=1 26 B6R0.2 CC(C)=CC(=O)O HY-W010611 [0,0,0,0,1,0|1,0,1]=3 27 B6R0.2 CC(C)CC(=O)O HY-W012980R [0,0,0,0,1,0|1,0,1]=3 28 B5R0.1 CNCC(=O)O HY-W012791 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.1 C\C=C\C(C)=O HY-34748 [2,0,0,0,0,0|1,0,1]=4 30 B5R0.1 NOCC(=O)O HY-107994A [2,0,0,0,0,0|2,0,0]=4 31 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [2,0,0,0,0,0|1,0,0]=3 32 B5R0.2 C=CCCCO HY-W010639 [2,0,0,0,0,0|0,0,2]=4 33 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [1,1,0,0,0,0|1,0,1]=4 34 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [1,1,0,0,0,0|0,0,2]=4 35 B7R0.2 O=C([O-])C[C@H](O)CO HY-113304A [1,1,0,0,0,0|1,0,1]=4 36 B7R0.3 C#CCCC(=O)O[Na] HY-15286 [1,1,0,0,0,0|0,0,2]=4 37 B7R0.3 CCC(=O)\C=C\C=O HY-N12851 [1,1,0,0,0,0|0,0,2]=4 38 B7R0.3 CCCCC(=O)O[Na] HY-W007087 [1,1,0,0,0,0|0,0,1]=3 39 B7R0.4 NCCNCC(=O)O HY-W012883 [1,1,0,0,0,0|1,0,1]=4 40 B7R0.4 O=C(O)COCCO HY-W591338A [1,1,0,0,0,0|0,0,2]=4 41 B7R0.4 O=C(O)COCCO HY-W591338B [1,1,0,0,0,0|0,0,2]=4 42 B7R0.4 O=C(O)COCCS HY-140728 [1,1,0,0,0,0|0,1,1]=4 43 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [1,1,0,0,0,0|0,0,1]=3 44 B7R0.5 COCC(N)C(=O)O HY-W012871 [1,1,0,0,0,0|1,0,0]=3 45 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [1,1,0,0,0,0|0,1,1]=4 46 B7R0.9 CC(C)(O)CC(=O)O HY-113409 [0,1,0,0,1,0|0,0,2]=4 47 B7R0.16 CC(C(=O)O)C(=O)O HY-103395R [0,1,0,0,1,0|1,0,0]=3 48 B7R0.16 CC(C)[C@H](N)[13C](=O)O HY-N0717S4 [0,1,0,0,1,0|1,0,1]=4 49 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O HY-N0717S [0,1,0,0,1,0|1,0,1]=4 50 B7R0.16 [13CH3][13C@@H](O)[13C@H](N)[13C](=O)O HY-N0658S6 [0,1,0,0,1,0|0,0,2]=4 51 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](=O)O HY-N0658S3 [0,1,0,0,1,0|0,0,2]=4 52 B7R0.16 [13CH3][13CH]([13CH3])[13C@H](N)[13C](=O)O HY-N0717S6 [0,1,0,0,1,0|1,0,1]=4 53 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770A [0,1,0,0,0,1|1,0,0]=3 54 B9R0.7 NC(=O)CC[13C@H](N)[13C](=O)O HY-N0390S10 [0,1,0,0,0,1|1,0,0]=3 55 B9R0.7 NC(=O)CC[C@H](N)[13C](=O)O HY-N0390S5 [0,1,0,0,0,1|1,0,0]=3 56 B9R0.7 NC(=O)NCC(N)C(=O)O HY-N12109 [0,1,0,0,0,1|1,0,0]=3 57 B9R0.7 N[13C](=O)[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0390S1 [0,1,0,0,0,1|1,0,0]=3 58 B9R0.7 N[C@@H](CCC([15NH2])=O)C(=O)O HY-N0390S9 [0,1,0,0,0,1|1,0,0]=3 59 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-131514 [0,1,0,0,0,1|1,0,0]=3 60 B9R0.7 O=C(O)CCC(O)C(=O)O HY-113038B [0,1,0,0,0,1|1,0,0]=3 61 B9R0.7 O=C(O)CC[C@H](O)C(=O)O HY-113039 [0,1,0,0,0,1|1,0,0]=3 62 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S8 [0,1,0,0,0,1|1,0,0]=3 63 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O HY-14608S3 [0,1,0,0,0,1|1,0,0]=3 64 B9R0.7 [15NH2][13C](=O)[13CH2][13CH2][13C@H]([15NH2])[13C](=O)O HY-N0390S6 [0,1,0,0,0,1|1,0,0]=3 65 B9R0.53 NC(CC(=O)O)CC(=O)O HY-W107585 [0,1,0,0,0,1|1,0,0]=3 66 B9R0.53 O=C(O)CC(O)CC(=O)O HY-113411 [0,1,0,0,0,1|1,0,0]=3 67 B9R0.56 CC(=O)NCCS(=O)(=O)O HY-W587486R [0,1,0,0,0,1|1,0,0]=3 68 B9R0.21 O=C(CO)COP(=O)([O-])O HY-113131A [0,2,0,0,0,0|2,0,0]=4 69 B9R0.24 O=C([13CH2][13CH2]C(=O)O[Na])O[Na] HY-W015410S [0,2,0,0,0,0|1,0,0]=3 70 B9R0.42 C[C@H](NC(=O)CN)C(=O)O HY-W141910 [0,2,0,0,0,0|1,0,0]=3 71 B9R0.39 CC(=O)N[C@H](CS)C(=O)O HY-136386 [0,2,0,0,0,0|1,0,0]=3 72 B9R0.39 CN[C@@H](CC(C)C)C(=O)O HY-W128028 [0,2,0,0,0,0|1,0,1]=4 73 B9R0.39 [C@@H](CC(C)C)(NC)C(=O)O HY-W008140 [0,2,0,0,0,0|1,0,1]=4 74 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O HY-124009 [0,2,0,0,0,0|2,0,0]=4 75 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O HY-100801A [0,2,0,0,0,0|1,0,0]=3 76 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O HY-14829E [0,2,0,0,0,0|1,0,0]=3 77 B7R1.2 O=C1CCC(=O)[15NH]1 HY-41877S [1,0,0,1,0,0|1,0,0]=3 78 B5R0.5 CC(N)[13C](=O)O HY-N2362S [0,0,0,0,2,0|1,0,1]=4 79 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [0,0,0,0,2,0|1,0,1]=4 80 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [0,0,0,0,2,0|1,0,1]=4 81 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [0,0,0,0,2,0|1,0,1]=4 82 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [0,0,0,0,2,0|1,0,1]=4 83 B5R0.5 O=C([O-])C(=O)[O-] HY-W140731 [0,0,0,0,2,0|1,0,1]=4 84 B5R0.5 O=[13C](O)[13C](=O)O HY-Y0262S1 [0,0,0,0,2,0|1,0,0]=3 85 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [0,0,0,0,2,0|1,0,1]=4 86 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [0,0,0,0,2,0|1,0,1]=4 87 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [0,0,0,0,2,0|1,0,1]=4 88 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [0,0,0,0,2,0|0,0,2]=4 89 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [0,0,0,0,2,0|1,0,1]=4 90 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [0,0,0,0,2,0|1,0,1]=4 91 B9R0.55 O=[13C](O)[13CH2][13CH2][13CH2][13CH2][13C](=O)O HY-W017522S1 [0,0,0,0,0,2|1,0,0]=3