0 B5R0.5 CC(N)[13C](=O)O HY-N2362S [0,0,0,0,0,0|2,0,0]=2 1 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.5 C[C@H](N)C(N)=O HY-75326 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.5 O=C(O)C(I)I HY-133659 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.5 O=C([O-])C(=O)[O-] HY-W140731 [0,0,0,0,0,0|2,1,1]=4 8 B5R0.5 O=[13C](O)[13C](=O)O HY-Y0262S1 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [0,0,0,0,0,0|1,1,0]=2 13 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [0,0,0,0,0,0|2,0,0]=2 15 B4R0.1 C=CC(=O)O HY-W243303B [1,0,0,0,0,0|1,0,2]=4 16 B4R0.1 C=CC(=O)O HY-W243303M [1,0,0,0,0,0|1,0,2]=4 17 B4R0.1 C=CC(N)=O HY-W115727E [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 CC(=O)CN HY-W004850 [1,0,0,0,0,0|1,0,0]=2 19 B4R0.1 CCB(O)O HY-W000933 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 CSC(=N)N HY-79457 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 C[C@H](N)CO HY-Y0837 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.1 C[C@H](O)CO HY-79334 [1,0,0,0,0,0|0,1,2]=4 23 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [1,0,0,0,0,0|1,0,0]=2 24 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913 [0,1,0,0,0,0|1,1,1]=4 30 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913R [0,1,0,0,0,0|1,1,1]=4 31 B6R0.3 CC(=O)[13C](=O)O[Na] HY-Y0781S3 [0,1,0,0,0,0|1,1,1]=4 32 B6R0.3 CC(C)[C@@H](N)CO HY-30167 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.3 CCC(=O)C(C)=O HY-W012998R [0,1,0,0,0,0|0,1,1]=3 34 B6R0.3 CCC(Br)C(=O)O HY-W015333 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [0,1,0,0,0,0|1,1,0]=3 36 B6R0.3 CN(N=O)C(N)=O HY-34758 [0,1,0,0,0,0|2,1,0]=4 37 B6R0.3 CNC(C)C(=O)O HY-W010591 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.3 C[13C](=O)C(=O)O[Na] HY-Y0781S [0,1,0,0,0,0|1,1,1]=4 39 B6R0.3 C[C@H](O)[13C](=O)O[Na] HY-Y0479AS2 [0,1,0,0,0,0|1,1,0]=3 40 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.3 O=C(O)C(=O)CO HY-113013 [0,1,0,0,0,0|1,1,1]=4 42 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.7 CC(C)(Br)C(=O)Br HY-Y0238 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.7 O=C(O)C(F)(F)F HY-P0312 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.7 [2H]C([2H])(N)C(=O)O HY-Y0966S1 [0,1,0,0,0,0|3,0,0]=4 48 B6R0.7 [2H][C@@](C)(N)C(=O)O HY-W141857 [0,1,0,0,0,0|2,0,0]=3 49 B6R0.2 CC(=O)CC(=O)O HY-112540 [0,0,0,0,0,1|1,1,1]=4 50 B6R0.2 CC(C)=CC(=O)O HY-W010611 [0,0,0,0,0,1|2,0,1]=4 51 B6R0.2 CC(C)CC(=O)O HY-W012980R [0,0,0,0,0,1|2,0,0]=3 52 B6R0.2 CC(C)NC(C)C HY-B2210 [0,0,0,0,0,1|2,0,1]=4 53 B3R0.1 NCCS HY-77591R [2,0,0,0,0,0|1,0,1]=4 54 B3R0.1 O=CO[Na] HY-W088065 [2,0,0,0,0,0|2,0,0]=4 55 B3R0.1 O=[13CH]O[Na] HY-W088065S [2,0,0,0,0,0|2,0,0]=4 56 B3R0.1 [13CH](=O)[13CH2]O HY-W779008 [2,0,0,0,0,0|0,1,0]=3 57 B3R0.2 CC(=O)O HY-P0119A [2,0,0,0,0,0|0,1,0]=3 58 B3R0.2 CC([15NH2])=O HY-Y0946S [2,0,0,0,0,0|1,0,0]=3 59 B3R0.2 CS(C)=O HY-Y0320 [2,0,0,0,0,0|1,0,0]=3 60 B3R0.2 CS(C)=O HY-Y0320C [2,0,0,0,0,0|1,0,0]=3 61 B3R0.2 CS(C)=O HY-Y0320D [2,0,0,0,0,0|1,0,0]=3 62 B3R0.2 [2H][13C](=O)O HY-W088065S1 [2,0,0,0,0,0|1,1,0]=4 63 B5R0.1 CNCC(=O)O HY-W012791 [1,1,0,0,0,0|1,0,0]=3 64 B5R0.1 C\C=C\C(C)=O HY-34748 [1,1,0,0,0,0|0,0,1]=3 65 B5R0.1 NOCC(=O)O HY-107994A [1,1,0,0,0,0|1,1,0]=4 66 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [1,1,0,0,0,0|1,0,0]=3 67 B5R0.3 CCC(O)CC HY-W087988 [1,1,0,0,0,0|0,0,2]=4 68 B5R0.3 CC[C@H](C)CO HY-W093104 [1,1,0,0,0,0|0,0,2]=4 69 B5R0.3 CC[PH](=O)CC HY-W094280 [1,1,0,0,0,0|1,0,0]=3 70 B5R0.3 OCC(O)CS HY-W010572 [1,1,0,0,0,0|0,0,2]=4 71 B5R0.4 CSS(C)(=O)=O HY-W004461 [1,1,0,0,0,0|2,0,0]=4 72 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [0,1,0,0,0,1|1,1,0]=4 73 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [0,1,0,0,0,1|2,0,0]=4 74 B7R0.2 O=C([O-])C[C@H](O)CO HY-113304A [0,1,0,0,0,1|1,1,0]=4 75 B7R0.9 CC(C)(O)CC(=O)O HY-113409 [0,1,0,0,0,1|1,1,0]=4 76 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [0,1,0,0,0,1|2,0,0]=4 77 B7R0.16 CC(C)[C@H](N)[13C](=O)O HY-N0717S4 [0,1,0,0,0,1|2,0,0]=4 78 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O HY-N0717S [0,1,0,0,0,1|2,0,0]=4 79 B7R0.16 [13CH3][13C@@H](O)[13C@H](N)[13C](=O)O HY-N0658S6 [0,1,0,0,0,1|1,1,0]=4 80 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](=O)O HY-N0658S3 [0,1,0,0,0,1|1,1,0]=4 81 B7R0.16 [13CH3][13CH]([13CH3])[13C@H](N)[13C](=O)O HY-N0717S6 [0,1,0,0,0,1|2,0,0]=4 82 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [0,2,0,0,0,0|2,0,0]=4 83 B7R0.5 CCOC(=O)C(C)N HY-W099247 [0,2,0,0,0,0|1,0,0]=3 84 B7R0.5 COCC(N)C(=O)O HY-W012871 [0,2,0,0,0,0|2,0,0]=4 85 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.10 COC(=O)C(N)CCl HY-W098273 [0,2,0,0,0,0|1,0,0]=3 87 B7R0.10 O=C(O[Na])[C@H](O)CO HY-139070A [0,2,0,0,0,0|1,1,0]=4 88 B7R0.14 COC(=O)C(C)(C)N HY-W002520 [0,2,0,0,0,0|1,0,0]=3 89 B5R1.2 C[C@H]1CCN1 HY-35279 [1,0,0,1,0,0|1,0,1]=4 90 B7R1.2 O=C1CCC(=O)[15NH]1 HY-41877S [0,0,0,1,0,1|0,1,1]=4 91 B7R1.4 CC1OCCC1=O HY-W010608 [0,1,0,1,0,0|0,1,0]=3 92 B7R1.4 NN1CCOC1=O HY-W012982 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.19 NC1(C(=O)O)CC1 HY-30004 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.19 NC1(C(=O)O)CC1 HY-30004R [0,1,0,1,0,0|2,0,0]=4