0 B5R0.1 C\C=C\C(C)=O HY-34748 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 C=CC(=O)O HY-W243303B [1,0,0,0,0,0|2,0,1]=4 3 B4R0.1 C=CC(=O)O HY-W243303M [1,0,0,0,0,0|2,0,1]=4 4 B4R0.1 C=CC(N)=O HY-W115727E [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 CC(=O)CN HY-W004850 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.1 CSC(=N)N HY-79457 [1,0,0,0,0,0|3,0,0]=4 7 B4R0.1 C[C@H](N)CO HY-Y0837 [1,0,0,0,0,0|1,0,1]=3 8 B4R0.1 C[C@H](O)CO HY-79334 [1,0,0,0,0,0|1,0,1]=3 9 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [1,0,0,0,0,0|3,0,0]=4 12 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.2 CCCNC HY-W250110E [1,0,0,0,0,0|2,0,1]=4 15 B4R0.2 CCCNC HY-W250110I [1,0,0,0,0,0|2,0,1]=4 16 B6R0.2 CC(=O)CC(=O)O HY-112540 [0,1,0,0,0,0|1,0,2]=4 17 B6R0.2 CC(C)=CC(=O)O HY-W010611 [0,1,0,0,0,0|0,0,1]=2 18 B6R0.2 CC(C)CC(=O)O HY-W012980R [0,1,0,0,0,0|0,0,3]=4 19 B6R0.2 CC(C)NC(C)C HY-B2210 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913R [0,1,0,0,0,0|3,0,0]=4 22 B6R0.3 CC(=O)[13C](=O)O[Na] HY-Y0781S3 [0,1,0,0,0,0|3,0,0]=4 23 B6R0.3 CC(C)[C@@H](N)CO HY-30167 [0,1,0,0,0,0|0,0,2]=3 24 B6R0.3 CCC(=O)C(C)=O HY-W012998R [0,1,0,0,0,0|2,0,0]=3 25 B6R0.3 C[13C](=O)C(=O)O[Na] HY-Y0781S [0,1,0,0,0,0|3,0,0]=4 26 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.3 O=C(O)C(=O)CO HY-113013 [0,1,0,0,0,0|2,0,0]=3 28 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.4 O=C(O)\C=C\CO HY-100982 [0,1,0,0,0,0|2,0,0]=3 31 B6R0.5 C[N+](C)(C)[13CH2][13CH2]O HY-B1337S5 [0,1,0,0,0,0|1,0,1]=3 32 B6R1.2 CC1=CNN=C1 HY-B0876 [0,0,0,1,0,0|2,0,1]=4 33 B3R0.1 N[13CH2][13CH2]O HY-W035903S [2,0,0,0,0,0|1,0,1]=4 34 B3R0.1 OCCO HY-Y0873 [2,0,0,0,0,0|1,0,1]=4 35 B3R0.1 OCCO HY-Y0873A3 [2,0,0,0,0,0|1,0,1]=4 36 B3R0.1 [13CH](=O)[13CH2]O HY-W779008 [2,0,0,0,0,0|1,0,0]=3 37 B3R0.2 CC(=O)O HY-P0119A [2,0,0,0,0,0|1,0,0]=3 38 B3R0.2 CC([15NH2])=O HY-Y0946S [2,0,0,0,0,0|1,0,1]=4 39 B3R0.2 CS(C)=O HY-Y0320 [2,0,0,0,0,0|1,0,1]=4 40 B3R0.2 CS(C)=O HY-Y0320C [2,0,0,0,0,0|1,0,1]=4 41 B3R0.2 CS(C)=O HY-Y0320D [2,0,0,0,0,0|1,0,1]=4 42 B3R0.2 [2H][13C](=O)O HY-W088065S1 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.3 CC[C@H](C)CO HY-W093104 [1,1,0,0,0,0|0,0,1]=3 44 B5R0.3 OCC(Cl)CO HY-W585827 [1,1,0,0,0,0|1,0,1]=4 45 B5R0.3 OCC(O)CS HY-W010572 [1,1,0,0,0,0|1,0,1]=4 46 B5R0.3 OC[13CH](O)CO HY-B1659S2 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.3 O[13CH2]C(O)[13CH2]O HY-B1659S4 [1,1,0,0,0,0|1,0,1]=4 48 B5R0.3 O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.4 CO[Si](C)(C)C HY-104035H [1,1,0,0,0,0|1,1,0]=4 50 B5R0.5 CC(N)[13C](=O)O HY-N2362S [1,1,0,0,0,0|1,0,1]=4 51 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [1,1,0,0,0,0|1,0,1]=4 52 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [1,1,0,0,0,0|1,0,1]=4 54 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [1,1,0,0,0,0|1,0,1]=4 55 B5R0.5 O=[13C](O)[13C](=O)O HY-Y0262S1 [1,1,0,0,0,0|2,0,0]=4 56 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [1,1,0,0,0,0|1,0,1]=4 57 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [1,1,0,0,0,0|1,0,1]=4 58 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [1,1,0,0,0,0|1,0,1]=4 59 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [1,1,0,0,0,0|1,0,1]=4 60 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [1,1,0,0,0,0|1,0,1]=4 61 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [1,1,0,0,0,0|1,0,1]=4 62 B5R0.2 C=CCCCO HY-W010639 [1,1,0,0,0,0|0,0,2]=4 63 B7R0.2 CC(C)C[C@H](N)CO HY-W015876 [0,2,0,0,0,0|0,0,2]=4 64 B7R0.3 CCC(=O)OCOC HY-41616 [0,2,0,0,0,0|2,0,0]=4 65 B7R0.10 CC(=N/O)\C(C)=N\O HY-W012898 [0,2,0,0,0,0|2,0,0]=4 66 B7R0.11 C[N+](C)(CI)CCO HY-W130177 [0,2,0,0,0,0|1,0,1]=4 67 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [0,2,0,0,0,0|0,0,2]=4 68 B7R0.6 C[S+](C)CCC(=O)O HY-W105506 [0,2,0,0,0,0|1,0,1]=4 69 B5R1.2 C[C@H]1CCN1 HY-35279 [1,0,0,1,0,0|1,0,1]=4 70 B7R1.3 CC1=CCCCC1 HY-W004338 [0,1,0,1,0,0|1,0,0]=3 71 B7R1.4 CC1OCCC1=O HY-W010608 [0,1,0,1,0,0|1,0,1]=4