0 B6R0.4 C#CCCC(=O)O HY-Y1230 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 CNCC(=O)O HY-W012791 [1,0,0,0,0,0|2,0,0]=3 2 B5R0.1 C\C=C\C(C)=O HY-34748 [1,0,0,0,0,0|0,0,2]=3 3 B5R0.1 NOCC(=O)O HY-107994A [1,0,0,0,0,0|2,1,0]=4 4 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.2 C=CCCCO HY-W010639 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [0,1,0,0,0,0|3,0,0]=4 7 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [0,1,0,0,0,0|3,0,0]=4 8 B7R0.2 O=C([O-])C[C@H](O)CO HY-113304A [0,1,0,0,0,0|3,0,0]=4 9 B7R0.3 C#CCCC(=O)O[Na] HY-15286 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.3 CCC(=O)OCOC HY-41616 [0,1,0,0,0,0|1,1,0]=3 11 B7R0.3 CCCCC(=O)O[Na] HY-W007087 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.4 NCCNCC(=O)O HY-W012883 [0,1,0,0,0,0|3,0,0]=4 13 B7R0.4 O=C(O)COCCO HY-W591338A [0,1,0,0,0,0|3,0,0]=4 14 B7R0.4 O=C(O)COCCO HY-W591338B [0,1,0,0,0,0|3,0,0]=4 15 B7R0.4 O=C(O)COCCS HY-140728 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.5 COCC(N)C(=O)O HY-W012871 [0,1,0,0,0,0|1,1,0]=3 18 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [0,1,0,0,0,0|3,0,0]=4 19 B7R0.6 C[S+](C)CCC(=O)O HY-W105506 [0,1,0,0,0,0|1,0,1]=3 20 B7R0.6 O=[13C](O)[13CH2][13CH2][13C](=O)O HY-N0420S2 [0,1,0,0,0,0|3,0,0]=4 21 B7R0.8 CS(=O)(=O)CCC#N HY-17629 [0,1,0,0,0,0|3,0,0]=4 22 B7R1.2 O=C1CCC(=O)[15NH]1 HY-41877S [0,0,0,1,0,0|3,0,0]=4 23 B7R1.3 CC1=CCCCC1 HY-W004338 [0,0,0,1,0,0|2,0,0]=3 24 B4R0.1 CC(=O)CN HY-W004850 [2,0,0,0,0,0|1,0,0]=3 25 B4R0.1 CSC(=N)N HY-79457 [2,0,0,0,0,0|2,0,0]=4 26 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [2,0,0,0,0,0|1,0,0]=3 27 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [2,0,0,0,0,0|1,1,0]=4 28 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [2,0,0,0,0,0|2,0,0]=4 29 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [2,0,0,0,0,0|2,0,0]=4 30 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [2,0,0,0,0,0|2,0,0]=4 31 B4R0.2 CCCNC HY-W250110E [2,0,0,0,0,0|1,0,0]=3 32 B4R0.2 CCCNC HY-W250110I [2,0,0,0,0,0|1,0,0]=3 33 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [1,1,0,0,0,0|1,0,0]=3 34 B6R0.2 CC(=O)CC(=O)O HY-112540 [1,1,0,0,0,0|0,1,1]=4 35 B6R0.2 CC(C)CC(=O)O HY-W012980R [1,1,0,0,0,0|1,0,0]=3 36 B6R0.3 CCC(=O)C(C)=O HY-W012998R [1,1,0,0,0,0|0,0,1]=3 37 B6R0.3 CCC(Br)C(=O)O HY-W015333 [1,1,0,0,0,0|1,0,0]=3 38 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [1,1,0,0,0,0|1,0,0]=3 39 B6R0.3 CNC(C)C(=O)O HY-W010591 [1,1,0,0,0,0|2,0,0]=4 40 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [1,1,0,0,0,0|1,1,0]=4 41 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [1,1,0,0,0,0|1,1,0]=4 42 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [1,1,0,0,0,0|1,1,0]=4 43 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [1,1,0,0,0,0|1,0,0]=3 44 B8R0.2 CCC(C)C(N)C(=O)O HY-W1005647 [0,2,0,0,0,0|2,0,0]=4 45 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O HY-I1070 [0,2,0,0,0,0|2,0,0]=4 46 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HY-I1060 [0,2,0,0,0,0|2,0,0]=4 47 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771R [0,2,0,0,0,0|2,0,0]=4 48 B8R0.23 CC(C)C(N)CC(=O)O HY-W012708 [0,2,0,0,0,0|2,0,0]=4 49 B8R0.23 CC(C)C[C@@H](N)C(N)=O HY-W111211 [0,2,0,0,0,0|2,0,0]=4 50 B8R0.23 CC(C)C[C@@H](O)C(=O)O HY-30216 [0,2,0,0,0,0|2,0,0]=4 51 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O HY-N0486S3 [0,2,0,0,0,0|2,0,0]=4 52 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H](N)[13C](=O)O HY-N0486S2 [0,2,0,0,0,0|2,0,0]=4 53 B8R0.1 CCCOC(=O)OCCl HY-Z2475 [0,2,0,0,0,0|2,0,0]=4 54 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017R [0,2,0,0,0,0|2,0,0]=4 55 B8R0.8 N[13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-W017018S2 [0,2,0,0,0,0|2,0,0]=4 56 B8R0.8 [13CH3]SCC[C@H](N)C(=O)O HY-N0326S3 [0,2,0,0,0,0|1,0,0]=3 57 B8R0.8 [13CH3]S[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0326S5 [0,2,0,0,0,0|1,0,0]=3 58 B8R0.9 NCC(=O)CCC(=O)O HY-W000450 [0,2,0,0,0,0|2,0,0]=4 59 B8R0.7 C#CCCCCC(=O)O HY-34643 [0,2,0,0,0,0|2,0,0]=4 60 B8R0.7 CC(=O)NCCCCN HY-W342604R [0,2,0,0,0,0|1,0,0]=3 61 B8R0.7 CCCC\C=C\C(=O)O HY-W107869 [0,2,0,0,0,0|2,0,0]=4 62 B8R0.7 NCCCCCC(=O)O HY-B0236 [0,2,0,0,0,0|2,0,0]=4 63 B8R0.7 NCCCNCC(=O)O HY-W077223 [0,2,0,0,0,0|2,0,0]=4 64 B8R0.7 O=C(O)CCCCCO HY-W105750 [0,2,0,0,0,0|2,0,0]=4 65 B8R0.7 O=C(O)CCOCCBr HY-130425 [0,2,0,0,0,0|1,1,0]=4 66 B8R1.2 O=NN1CCOCC1 HY-131123 [0,1,0,1,0,0|1,1,0]=4 67 B8R1.50 CC1C(=O)CCC1=O HY-W012944 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.7 O=C(O)[C@@H]1CCC[15NH]1 HY-Y0252S2 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.7 O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2]N1 HY-Y0252S [0,1,0,1,0,0|2,0,0]=4 70 B8R1.54 N[C@H](C(=O)O)C1CC1 HY-W005759 [0,1,0,1,0,0|2,0,0]=4