0 B7R0.6 C[S+](C)CCC(=O)O HY-W105506 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.6 O=[13C](O)[13CH2][13CH2][13C](=O)O HY-N0420S2 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.4 C#CCCC(=O)O HY-Y1230 [1,0,0,0,0,0|0,0,2]=3 3 B6R0.4 O=C(O)\C=C\CO HY-100982 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.9 C=CC(N)CCC(=O)O HY-15399 [0,1,0,0,0,0|1,0,1]=3 5 B8R0.9 NCC(=O)CCC(=O)O HY-W000450 [0,1,0,0,0,0|1,0,1]=3 6 B8R0.9 NCC(=O)NCC(=O)O HY-D0889 [0,1,0,0,0,0|2,0,1]=4 7 B8R0.23 CC(=O)N[C@H](C)C(=O)O HY-W012713 [0,1,0,0,0,0|2,0,1]=4 8 B8R0.23 CC(C)C(N)CC(=O)O HY-W012708 [0,1,0,0,0,0|0,0,0]=1 9 B8R0.23 CC(C)C[C@@H](N)C(N)=O HY-W111211 [0,1,0,0,0,0|1,0,0]=2 10 B8R0.23 CC(C)C[C@@H](O)C(=O)O HY-30216 [0,1,0,0,0,0|0,0,0]=1 11 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O HY-N0486S3 [0,1,0,0,0,0|0,0,0]=1 12 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378R [0,1,0,0,0,0|2,0,1]=4 13 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W017444 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.23 N[C@@H](CC([15NH2])=O)C(=O)O HY-W017443S1 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.23 N[C@@H](C[13C](=O)O)[13C](=O)O HY-N0666S6 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.23 N[C@H](CC(=O)O)C(=O)O HY-42068 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.23 O=C(O)C[C@H](O)C(=O)O HY-Y1069R [0,1,0,0,0,0|2,0,1]=4 20 B8R0.23 O=[13C](O)[13CH2][13C@H](O)[13C](=O)O HY-Y1069S3 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.23 [13CH2]([13C](=O)O)[13C@H](N)[13C](=O)O HY-N0666S4 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H](N)[13C](=O)O HY-N0486S2 [0,1,0,0,0,0|0,0,0]=1 23 B8R0.23 [15NH2][C@@H](CC(=O)O)C(=O)O HY-N0666S3 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.29 [2H]C([2H])([2H])NCC(=O)O HY-W012791S [0,1,0,0,0,0|3,0,0]=4 25 B6R0.2 CC(=O)CC(=O)O HY-112540 [0,0,0,0,1,0|1,0,1]=3 26 B6R0.2 CC(C)=CC(=O)O HY-W010611 [0,0,0,0,1,0|0,0,2]=3 27 B6R0.2 CC(C)CC(=O)O HY-W012980R [0,0,0,0,1,0|0,0,0]=1 28 B5R0.1 CNCC(=O)O HY-W012791 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.1 NOCC(=O)O HY-107994A [2,0,0,0,0,0|2,0,0]=4 30 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [2,0,0,0,0,0|1,0,0]=3 31 B5R0.2 C=CCCCO HY-W010639 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.2 CC(C)C[C@H](N)CO HY-W015876 [1,1,0,0,0,0|0,0,1]=3 33 B7R0.2 NC[C@@H](F)C[PH](=O)O HY-10061B [1,1,0,0,0,0|2,0,0]=4 34 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [1,1,0,0,0,0|1,0,0]=3 35 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [1,1,0,0,0,0|1,0,0]=3 36 B7R0.2 O=C([O-])C[C@H](O)CO HY-113304A [1,1,0,0,0,0|1,0,1]=4 37 B7R0.3 C#CCCC(=O)O[Na] HY-15286 [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|0,0,0]=2 39 B7R0.4 NCCNCC(=O)O HY-W012883 [1,1,0,0,0,0|1,0,0]=3 40 B7R0.4 O=C(O)COCCO HY-W591338A [1,1,0,0,0,0|1,0,0]=3 41 B7R0.4 O=C(O)COCCO HY-W591338B [1,1,0,0,0,0|1,0,0]=3 42 B7R0.4 O=C(O)COCCS HY-140728 [1,1,0,0,0,0|1,0,0]=3 43 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [1,1,0,0,0,0|0,0,2]=4 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|1,0,0]=3 46 B7R0.9 CC(C)(O)CC(=O)O HY-113409 [0,1,0,0,1,0|0,0,0]=2 47 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-B0710R [0,1,0,0,1,0|1,0,1]=4 48 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [0,1,0,0,1,0|0,0,1]=3 49 B7R0.16 CC(C)[C@H](N)[13C](=O)O HY-N0717S4 [0,1,0,0,1,0|0,0,0]=2 50 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O HY-N0717S [0,1,0,0,1,0|0,0,0]=2 51 B7R0.16 [13CH3][13C@@H](O)[13C@H](N)[13C](=O)O HY-N0658S6 [0,1,0,0,1,0|1,0,0]=3 52 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](=O)O HY-N0658S3 [0,1,0,0,1,0|1,0,0]=3 53 B7R0.16 [13CH3][13CH]([13CH3])[13C@H](N)[13C](=O)O HY-N0717S6 [0,1,0,0,1,0|0,0,0]=2 54 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770A [0,1,0,0,0,1|2,0,0]=4 55 B9R0.7 C[C@H](N)C(=O)NCC(=O)O HY-W010277 [0,1,0,0,0,1|1,0,1]=4 56 B9R0.23 CC(C)CC(=O)[13C](=O)O[Na] HY-W012722BS1 [0,2,0,0,0,0|0,0,1]=3 57 B9R0.23 CC(C)C[13C](=O)[13C](=O)O[Na] HY-W017387S1 [0,2,0,0,0,0|0,0,1]=3 58 B9R0.23 [13CH3][13CH]([13CH3])[13CH2][13C](=O)[13C](=O)O[Na] HY-W017387S2 [0,2,0,0,0,0|0,0,1]=3 59 B9R0.39 CN[C@@H](CC(C)C)C(=O)O HY-W128028 [0,2,0,0,0,0|0,0,0]=2 60 B9R0.39 [C@@H](CC(C)C)(NC)C(=O)O HY-W008140 [0,2,0,0,0,0|0,0,0]=2 61 B9R0.79 CC(C)N(O)C(=O)C(=O)O HY-153351 [0,2,0,0,0,0|1,0,1]=4 62 B7R1.3 CC1=CCCCC1 HY-W004338 [1,0,0,1,0,0|2,0,0]=4 63 B5R0.5 CC(N)[13C](=O)O HY-N2362S [0,0,0,0,2,0|1,0,0]=3 64 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [0,0,0,0,2,0|1,0,0]=3 65 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [0,0,0,0,2,0|1,0,0]=3 66 B5R0.5 C[C@H](N)C(N)=O HY-75326 [0,0,0,0,2,0|2,0,0]=4 67 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [0,0,0,0,2,0|1,0,0]=3 68 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [0,0,0,0,2,0|1,0,0]=3 69 B5R0.5 O=C(O)C(I)I HY-133659 [0,0,0,0,2,0|2,0,0]=4 70 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [0,0,0,0,2,0|1,0,0]=3 71 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [0,0,0,0,2,0|1,0,0]=3 72 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [0,0,0,0,2,0|1,0,0]=3 73 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [0,0,0,0,2,0|1,0,0]=3 74 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [0,0,0,0,2,0|1,0,0]=3 75 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [0,0,0,0,2,0|1,0,0]=3