0 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913R [0,0,0,0,0,0|3,0,0]=3 3 B6R0.3 CC(=O)[13C](=O)O[Na] HY-Y0781S3 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.3 CCC(=O)C(C)=O HY-W012998R [0,0,0,0,0,0|2,0,0]=2 5 B6R0.3 CCC(Br)C(=O)O HY-W015333 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [0,0,0,0,0,0|1,0,2]=3 7 B6R0.3 CNC(C)C(=O)O HY-W010591 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.3 C[13C](=O)C(=O)O[Na] HY-Y0781S [0,0,0,0,0,0|3,0,0]=3 9 B6R0.3 C[C@H](O)[13C](=O)O[Na] HY-Y0479AS2 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [0,0,0,0,0,0|1,0,1]=2 11 B6R0.3 O=C(O)C(=O)CO HY-113013 [0,0,0,0,0,0|0,0,0]=0 12 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [0,0,0,0,0,0|1,0,1]=2 13 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [0,0,0,0,0,0|1,1,1]=3 15 B5R0.1 CNCC(=O)O HY-W012791 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 C\C=C\C(C)=O HY-34748 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 NOCC(=O)O HY-107994A [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.3 OCC(Cl)CO HY-W585827 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.3 OC[13CH](O)CO HY-B1659S2 [1,0,0,0,0,0|0,0,3]=4 21 B5R0.3 O[13CH2]C(O)[13CH2]O HY-B1659S4 [1,0,0,0,0,0|0,0,3]=4 22 B5R0.3 O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [1,0,0,0,0,0|0,0,3]=4 23 B5R0.5 CC(N)[13C](=O)O HY-N2362S [1,0,0,0,0,0|1,0,1]=3 24 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.5 C[C@H](N)C(N)=O HY-75326 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.5 O=C(O)C(I)I HY-133659 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.5 O=C([O-])C(=O)[O-] HY-W140731 [1,0,0,0,0,0|0,0,2]=3 31 B5R0.5 O=[13C](O)[13C](=O)O HY-Y0262S1 [1,0,0,0,0,0|0,0,0]=1 32 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [1,0,0,0,0,0|1,0,1]=3 33 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [1,0,0,0,0,0|0,0,2]=3 36 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [1,0,0,0,0,0|1,0,1]=3 37 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [1,0,0,0,0,0|1,0,1]=3 38 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.5 COCC(N)C(=O)O HY-W012871 [0,1,0,0,0,0|1,0,1]=3 40 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [0,1,0,0,0,0|1,1,1]=4 41 B7R0.10 CC(=N/O)\C(C)=N\O HY-W012898 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.10 COC(=O)C(N)CCl HY-W098273 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.10 O=C(O[Na])[C@H](O)CO HY-139070A [0,1,0,0,0,0|0,0,2]=3 44 B7R0.10 O=C[C@H](O)[C@H](O)[13CH2]O HY-116956S3 [0,1,0,0,0,0|0,0,3]=4 45 B7R0.16 CC(C(=O)O)C(=O)O HY-103395R [0,1,0,0,0,0|1,0,2]=4 46 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [0,1,0,0,0,0|1,0,0]=2 47 B7R0.16 CC(C)[C@H](N)[13C](=O)O HY-N0717S4 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O HY-N0717S [0,1,0,0,0,0|2,0,1]=4 49 B7R0.16 [13CH3][13C@@H](O)[13C@H](N)[13C](=O)O HY-N0658S6 [0,1,0,0,0,0|1,0,1]=3 50 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](=O)O HY-N0658S3 [0,1,0,0,0,0|1,0,1]=3 51 B7R0.16 [13CH3][13CH]([13CH3])[13C@H](N)[13C](=O)O HY-N0717S6 [0,1,0,0,0,0|2,0,1]=4 52 B7R1.4 CC1OCCC1=O HY-W010608 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.4 NN1CCOC1=O HY-W012982 [0,0,0,1,0,0|3,0,0]=4 54 B7R1.19 NC1(C(=O)O)CC1 HY-30004 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.19 NC1(C(=O)O)CC1 HY-30004R [0,0,0,1,0,0|2,0,1]=4 56 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [0,0,0,0,0,1|1,0,2]=4 57 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [0,0,0,0,0,1|1,0,1]=3 58 B7R0.2 O=C([O-])C[C@H](O)CO HY-113304A [0,0,0,0,0,1|0,0,3]=4 59 B4R0.1 C=CC(=O)O HY-W243303B [2,0,0,0,0,0|0,0,1]=3 60 B4R0.1 C=CC(=O)O HY-W243303M [2,0,0,0,0,0|0,0,1]=3 61 B4R0.1 C=CC(N)=O HY-W115727E [2,0,0,0,0,0|1,0,1]=4 62 B4R0.1 CC(=O)CN HY-W004850 [2,0,0,0,0,0|1,0,1]=4 63 B4R0.1 C[C@H](O)CO HY-79334 [2,0,0,0,0,0|1,0,1]=4 64 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [2,0,0,0,0,0|0,0,1]=3 65 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [2,0,0,0,0,0|2,0,0]=4 66 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [2,0,0,0,0,0|1,0,0]=3 67 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [2,0,0,0,0,0|1,0,0]=3 68 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [2,0,0,0,0,0|1,0,0]=3 69 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [1,1,0,0,0,0|1,0,1]=4 70 B6R0.2 CC(C)=CC(=O)O HY-W010611 [1,1,0,0,0,0|1,0,1]=4 71 B6R0.2 CC(C)CC(=O)O HY-W012980R [1,1,0,0,0,0|1,0,1]=4 72 B6R0.4 C#CCCC(=O)O HY-Y1230 [1,1,0,0,0,0|1,0,1]=4 73 B6R0.4 O=C(O)\C=C\CO HY-100982 [1,1,0,0,0,0|0,0,0]=2 74 B6R0.7 [2H][C@@](C)(N)C(=O)O HY-W141857 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.23 [13CH2]=[13C]([13CH2][13C](=O)O)[13C](=O)O HY-Y0520S [0,1,0,0,0,1|1,0,1]=4 76 B8R0.3 CCOC(=O)[C@@H](N)CO HY-W016996 [0,2,0,0,0,0|1,0,1]=4 77 B8R0.8 NOCC[C@H](N)C(=O)O HY-129476 [0,2,0,0,0,0|1,0,1]=4 78 B8R1.46 O=C1C=C(O[Na])C1=O HY-101905 [0,1,0,1,0,0|1,0,1]=4 79 B8R0.9 NCC(=O)CCC(=O)O HY-W000450 [0,0,0,0,0,2|1,0,0]=3 80 B8R0.9 NCC(=O)NCC(=O)O HY-D0889 [0,0,0,0,0,2|1,0,0]=3