0 B6R0.2 CC(=O)CC(=O)O HY-112540 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.2 CC(C)=CC(=O)O HY-W010611 [0,0,0,0,0,0|0,0,0]=0 2 B6R0.2 CC(C)CC(=O)O HY-W012980R [0,0,0,0,0,0|0,0,2]=2 3 B5R0.1 CNCC(=O)O HY-W012791 [1,0,0,0,0,0|1,0,1]=3 4 B5R0.1 C\C=C\C(C)=O HY-34748 [1,0,0,0,0,0|1,0,0]=2 5 B5R0.1 NOCC(=O)O HY-107994A [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [0,1,0,0,0,0|1,0,2]=4 8 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [0,1,0,0,0,0|1,0,2]=4 9 B7R0.9 CC(C)(O)CC(=O)O HY-113409 [0,1,0,0,0,0|0,0,2]=3 10 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-B0710R [0,1,0,0,0,0|1,0,2]=4 11 B7R0.16 CC(C(=O)O)C(=O)O HY-103395R [0,1,0,0,0,0|2,0,1]=4 12 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [0,1,0,0,0,0|0,0,1]=2 13 B7R0.16 CC(C)[C@H](N)[13C](=O)O HY-N0717S4 [0,1,0,0,0,0|0,0,2]=3 14 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O HY-N0717S [0,1,0,0,0,0|0,0,2]=3 15 B7R0.16 [13CH3][13C@@H](O)[13C@H](N)[13C](=O)O HY-N0658S6 [0,1,0,0,0,0|1,0,2]=4 16 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](=O)O HY-N0658S3 [0,1,0,0,0,0|1,0,2]=4 17 B7R0.16 [13CH3][13CH]([13CH3])[13C@H](N)[13C](=O)O HY-N0717S6 [0,1,0,0,0,0|0,0,2]=3 18 B7R1.2 O=C1CCC(=O)[15NH]1 HY-41877S [0,0,0,1,0,0|3,0,0]=4 19 B5R0.5 CC(N)[13C](=O)O HY-N2362S [0,0,0,0,1,0|1,0,1]=3 20 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [0,0,0,0,1,0|1,0,1]=3 21 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [0,0,0,0,1,0|1,0,1]=3 22 B5R0.5 C[C@H](N)C(N)=O HY-75326 [0,0,0,0,1,0|2,0,1]=4 23 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [0,0,0,0,1,0|1,0,1]=3 24 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [0,0,0,0,1,0|1,0,1]=3 25 B5R0.5 O=C(O)C(I)I HY-133659 [0,0,0,0,1,0|2,0,1]=4 26 B5R0.5 O=C([O-])C(=O)[O-] HY-W140731 [0,0,0,0,1,0|2,0,1]=4 27 B5R0.5 O=[13C](O)[13C](=O)O HY-Y0262S1 [0,0,0,0,1,0|2,0,0]=3 28 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [0,0,0,0,1,0|1,0,1]=3 29 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [0,0,0,0,1,0|1,0,1]=3 30 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [0,0,0,0,1,0|1,0,1]=3 31 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [0,0,0,0,1,0|1,0,1]=3 32 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [0,0,0,0,1,0|1,0,1]=3 33 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [0,0,0,0,1,0|1,0,1]=3 34 B7R0.6 CN(C)\C=C\[N+](=O)[O-] HY-20395 [0,0,0,0,0,1|2,0,1]=4 35 B7R0.6 C[S+](C)CCC(=O)O HY-W105506 [0,0,0,0,0,1|1,0,1]=3 36 B7R0.6 O=[13C](O)[13CH2][13CH2][13C](=O)O HY-N0420S2 [0,0,0,0,0,1|2,0,1]=4 37 B7R0.6 O=[13C](O)\C=C\[13C](=O)O HY-W015883S1 [0,0,0,0,0,1|2,0,0]=3 38 B4R0.1 C=CC(=O)O HY-W243303B [2,0,0,0,0,0|0,0,0]=2 39 B4R0.1 C=CC(=O)O HY-W243303M [2,0,0,0,0,0|0,0,0]=2 40 B4R0.1 C=CC(N)=O HY-W115727E [2,0,0,0,0,0|1,0,0]=3 41 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [2,0,0,0,0,0|0,0,1]=3 42 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [2,0,0,0,0,0|1,0,1]=4 43 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [2,0,0,0,0,0|1,0,1]=4 44 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [2,0,0,0,0,0|1,0,1]=4 45 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [1,1,0,0,0,0|0,0,2]=4 46 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [1,1,0,0,0,0|0,0,0]=2 47 B6R0.3 CCC(=O)C(C)=O HY-W012998R [1,1,0,0,0,0|1,0,1]=4 48 B6R0.3 CCC(Br)C(=O)O HY-W015333 [1,1,0,0,0,0|0,0,2]=4 49 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [1,1,0,0,0,0|0,0,2]=4 50 B6R0.3 CNC(C)C(=O)O HY-W010591 [1,1,0,0,0,0|1,0,1]=4 51 B6R0.3 O=C(O)C(=O)CO HY-113013 [1,1,0,0,0,0|1,0,1]=4 52 B6R0.4 O=C(O)\C=C\CO HY-100982 [1,1,0,0,0,0|0,0,0]=2 53 B6R0.7 CC(C)(Br)C(=O)Br HY-Y0238 [0,1,0,0,1,0|1,0,1]=4 54 B6R0.7 [2H][C@@](C)(N)C(=O)O HY-W141857 [0,1,0,0,1,0|1,0,1]=4 55 B8R0.9 NCC(=O)CCC(=O)O HY-W000450 [0,1,0,0,0,1|1,0,1]=4 56 B8R0.9 NCC(=O)NCC(=O)O HY-D0889 [0,1,0,0,0,1|1,0,1]=4 57 B8R0.23 CC(=O)N[C@H](C)C(=O)O HY-W012713 [0,1,0,0,0,1|1,0,1]=4 58 B8R0.23 CC(C)C(N)CC(=O)O HY-W012708 [0,1,0,0,0,1|0,0,2]=4 59 B8R0.23 CC(C)C[C@@H](O)C(=O)O HY-30216 [0,1,0,0,0,1|0,0,2]=4 60 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O HY-N0486S3 [0,1,0,0,0,1|0,0,2]=4 61 B8R0.23 [13CH2]=[13C]([13CH2][13C](=O)O)[13C](=O)O HY-Y0520S [0,1,0,0,0,1|2,0,0]=4 62 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H](N)[13C](=O)O HY-N0486S2 [0,1,0,0,0,1|0,0,2]=4 63 B8R0.2 CCC(C)C(N)C(=O)O HY-W1005647 [0,2,0,0,0,0|0,0,2]=4 64 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O HY-I1070 [0,2,0,0,0,0|0,0,2]=4 65 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HY-I1060 [0,2,0,0,0,0|0,0,2]=4 66 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771R [0,2,0,0,0,0|0,0,2]=4 67 B8R0.2 [13CH3][13CH]([13CH3])[13C](=O)[13C](=O)O[Na] HY-W006057AS16 [0,2,0,0,0,0|0,0,1]=3 68 B8R0.27 CC(C)(S)C(N)C(=O)O HY-W017457 [0,2,0,0,0,0|0,0,2]=4 69 B8R0.18 CN[C@H](C(=O)O)C(C)C HY-20561 [0,2,0,0,0,0|0,0,2]=4 70 B8R0.37 CC(C)[C@@](C)(N)C(=O)O HY-W010386 [0,2,0,0,0,0|0,0,2]=4 71 B8R1.54 N[C@H](C(=O)O)C1CC1 HY-W005759 [0,1,0,1,0,0|0,0,2]=4