0 B7R0.16 CC(C)[C@H](O)C(=O)O HY-30217 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O HY-N0717S1 [0,0,0,0,0,0|0,0,0]=0 2 B6R0.3 NC(CS)C(=O)O HY-W012850 [1,0,0,0,0,0|1,0,0]=2 3 B6R0.3 NCC(O)C(=O)O HY-W012966 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.3 N[13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S4 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.3 N[C@@H](CO)C(=O)O HY-W142089 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.3 N[C@@H](CS)[13C](=O)O HY-Y0337S3 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.3 N[C@@H]([13CH2]S)C(=O)O HY-Y0337S2 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.3 [15NH2][13C@@H]([13CH2]O)[13C](=O)O HY-N0650S5 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.3 [15NH2][13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S [1,0,0,0,0,0|1,0,0]=2 10 B8R0.2 C#C[C@@H](O)[C@H](N)C(=O)O HY-164745 [0,1,0,0,0,0|1,0,1]=3 11 B8R0.2 CC[C@H](C)[C@H](N)[13C](=O)O HY-N0771S4 [0,1,0,0,0,0|0,0,0]=1 12 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O HY-W008086 [0,1,0,0,0,0|1,0,0]=2 13 B8R0.2 [13CH3][13CH2][13C@H]([13CH3])[13C@H](N)[13C](=O)O HY-N0771S [0,1,0,0,0,0|0,0,0]=1 14 B8R0.2 [13CH3][13CH2][13C@H]([13CH3])[13C@H]([15NH2])[13C](=O)O HY-N0771S9 [0,1,0,0,0,0|0,0,0]=1 15 B8R0.27 [2H]C([2H])(O)[C@H](N)C(=O)O HY-N0650S7 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.37 CC(C)[C@](C)(N)C(=O)O HY-W012707 [0,1,0,0,0,0|0,0,0]=1 17 B8R0.23 C=C(CC(C)C)C(C)=O HY-44868 [0,0,0,0,0,1|2,0,1]=4 18 B8R0.23 N[C@@H](CC(=O)O)[13C](=O)O HY-N0666S [0,0,0,0,0,1|2,0,1]=4 19 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H]([15NH2])[13C](=O)O HY-N0486S8 [0,0,0,0,0,1|0,0,0]=1 20 B8R0.23 [15NH2]C(CC(=O)O)[13C](=O)O HY-W015824S5 [0,0,0,0,0,1|2,0,1]=4 21 B8R0.23 [15NH2][13C](=O)[13CH2][13C@H]([15NH2])[13C](=O)O HY-W017443S [0,0,0,0,0,1|2,0,1]=4 22 B5R0.1 C[15NH]CC(=O)O HY-101037S [2,0,0,0,0,0|1,0,0]=3 23 B5R0.1 [15NH2][13CH2][13CH2][13C](=O)O HY-N0230S [2,0,0,0,0,0|1,0,0]=3 24 B5R0.5 C[C@@H](O)[13C](=O)O HY-111095S1 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.5 C[C@H]([15NH2])[13C](=O)O HY-N0229S11 [2,0,0,0,0,0|0,0,0]=2 26 B7R0.2 CC(C)OC(=O)CS HY-W200537 [1,1,0,0,0,0|1,1,0]=4 27 B7R0.2 NC[C@@H](O)CC(=O)O HY-W050122 [1,1,0,0,0,0|1,0,0]=3 28 B7R0.2 [13CH3][13CH](O)[13CH2][13C](=O)O[Na] HY-W010452S1 [1,1,0,0,0,0|1,0,0]=3 29 B7R0.2 [13CH3][C@@H](O)[13CH2]C(=O)O[Na] HY-B0228S10 [1,1,0,0,0,0|1,0,0]=3 30 B7R0.9 [13CH3][N+]([13CH3])([13CH3])CC(=O)[O-] HY-B0710S [1,1,0,0,0,0|1,0,1]=4 31 B7R0.5 C#CC[C@H](N)C(=O)O HY-W006064 [1,1,0,0,0,0|0,0,1]=3 32 B7R0.5 C=CCC(N)C(=O)O HY-W023493 [1,1,0,0,0,0|0,0,1]=3 33 B7R0.10 O=C(O[Na])[C@@H](O)CO HY-113377A [1,1,0,0,0,0|2,0,0]=4 34 B7R0.10 O=C[C@@H](O)[C@H](O)[13CH2]O HY-W012864S2 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.13 CC[C@@](C)(N)C(=O)O HY-W008544 [1,1,0,0,0,0|0,0,0]=2 36 B7R0.13 [2H]C(N)(CS)C(=O)O HY-W012850S1 [1,1,0,0,0,0|1,0,0]=3 37 B9R0.23 COC(=O)[C@@H](N)CC(=O)O HY-W017499 [0,1,0,0,0,1|1,0,1]=4 38 B9R0.57 NC(CC(F)(F)F)C(=O)O HY-W019263 [0,1,0,0,0,1|2,0,0]=4 39 B9R0.25 [2H]C([13CH3])([13CH3])C(=O)C(=O)O[Na] HY-W006057AS [0,2,0,0,0,0|1,0,1]=4 40 B9R0.27 O=C(O[K])[C@H](O)[C@H](O)CO HY-113048A [0,2,0,0,0,0|2,0,0]=4 41 B9R0.27 O=C([13CH2]O)[C@@H](O)[C@H](O)CO HY-W010256S [0,2,0,0,0,0|2,0,0]=4 42 B9R0.27 O=[13C](CO)[C@@H](O)[C@H](O)CO HY-W010256S1 [0,2,0,0,0,0|2,0,0]=4 43 B9R0.27 [13C@@H](O)([13C](=O)[13CH2]O)[13C@H](O)[13CH2]O HY-W010256S3 [0,2,0,0,0,0|2,0,0]=4 44 B9R0.72 [2H]C([2H])([2H])C(CN)C(=O)O HY-W154267S [0,2,0,0,0,0|2,0,0]=4 45 B7R1.18 O=C(O)C1CCN1 HY-75308 [1,0,0,1,0,0|0,0,0]=2 46 B9R0.7 [C@H](N)(CCS(C)=O)C(=O)O HY-W010104 [0,0,0,0,0,2|2,0,0]=4