0 B3R0.1 NCCS HY-77591R [0,0,0,0,0,0|1,0,0]=1 1 B3R0.1 N[13CH2][13CH2]O HY-W035903S [0,0,0,0,0,0|1,1,0]=2 2 B3R0.1 O=CO[Na] HY-W088065 [0,0,0,0,0,0|2,1,1]=4 3 B3R0.1 O=[13CH]O[Na] HY-W088065S [0,0,0,0,0,0|2,1,1]=4 4 B3R0.1 OCCO HY-Y0873 [0,0,0,0,0,0|1,1,0]=2 5 B3R0.1 OCCO HY-Y0873A3 [0,0,0,0,0,0|1,1,0]=2 6 B3R0.1 [13CH](=O)[13CH2]O HY-W779008 [0,0,0,0,0,0|1,1,1]=3 7 B2R0.1 C=CO HY-Y0850L [1,0,0,0,0,0|0,1,2]=4 8 B2R0.1 C=CO HY-Y0850M [1,0,0,0,0,0|0,1,2]=4 9 B2R0.1 C=CO HY-Y0850O [1,0,0,0,0,0|0,1,2]=4 10 B2R0.1 C=CO HY-Y0850U4 [1,0,0,0,0,0|0,1,2]=4 11 B2R0.1 Cl[Sr]Cl HY-22009A [1,0,0,0,0,0|3,0,0]=4 12 B2R0.1 [*]S[44*] HY-P991183 [1,0,0,0,0,0|3,0,0]=4 13 B2R0.1 [15NH2]C=O HY-Y0842S3 [1,0,0,0,0,0|1,1,1]=4 14 B2R0.1 [2H]OC HY-W025916 [1,0,0,0,0,0|2,0,0]=3 15 B2R0.1 [2H]O[K] HY-Y0605S1 [1,0,0,0,0,0|3,0,0]=4 16 B2R0.1 [3H]CC HY-P99179 [1,0,0,0,0,0|1,0,0]=2 17 B4R0.1 CC(=O)CN HY-W004850 [0,1,0,0,0,0|1,0,1]=3 18 B4R0.1 CCB(O)O HY-W000933 [0,1,0,0,0,0|1,1,0]=3 19 B4R0.1 CSC(=N)N HY-79457 [0,1,0,0,0,0|2,0,1]=4 20 B4R0.1 C[C@H](N)CO HY-Y0837 [0,1,0,0,0,0|0,1,0]=2 21 B4R0.1 C[C@H](O)CO HY-79334 [0,1,0,0,0,0|0,1,0]=2 22 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [0,1,0,0,0,0|0,1,1]=3 23 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [0,1,0,0,0,0|2,0,1]=4 24 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [0,1,0,0,0,0|1,1,1]=4 25 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [0,1,0,0,0,0|1,1,1]=4 26 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [0,1,0,0,0,0|1,1,1]=4 27 B4R0.2 CCCNC HY-W250110E [0,1,0,0,0,0|1,0,0]=2 28 B4R0.2 CCCNC HY-W250110I [0,1,0,0,0,0|1,0,0]=2 29 B1R0.1 Cl[K] HY-Y0537B [2,0,0,0,0,0|2,0,0]=4 30 B1R0.1 [Ag]I HY-W019930 [2,0,0,0,0,0|2,0,0]=4 31 B1R0.1 [Na]Cl HY-Y0344J [2,0,0,0,0,0|2,0,0]=4 32 B3R0.2 BrC(Br)I HY-133641 [1,1,0,0,0,0|2,0,0]=4 33 B3R0.2 CC(=O)O HY-P0119A [1,1,0,0,0,0|0,1,1]=4 34 B3R0.2 CC([15NH2])=O HY-Y0946S [1,1,0,0,0,0|0,1,1]=4 35 B3R0.2 CS(C)=O HY-Y0320 [1,1,0,0,0,0|1,0,0]=3 36 B3R0.2 CS(C)=O HY-Y0320C [1,1,0,0,0,0|1,0,0]=3 37 B3R0.2 CS(C)=O HY-Y0320D [1,1,0,0,0,0|1,0,0]=3 38 B3R0.2 ClC(Cl)I HY-133642 [1,1,0,0,0,0|2,0,0]=4 39 B5R0.1 CNCC(=O)O HY-W012791 [0,2,0,0,0,0|0,1,1]=4 40 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [0,2,0,0,0,0|0,1,1]=4 41 B5R0.3 CCC(O)CC HY-W087988 [0,2,0,0,0,0|0,1,0]=3 42 B5R0.3 CC[C@H](C)CO HY-W093104 [0,2,0,0,0,0|0,1,0]=3 43 B5R0.3 CC[PH](=O)CC HY-W094280 [0,2,0,0,0,0|1,0,0]=3 44 B5R0.3 OCC(Cl)CO HY-W585827 [0,2,0,0,0,0|0,1,0]=3 45 B5R0.3 OCC(O)CS HY-W010572 [0,2,0,0,0,0|0,0,0]=2 46 B5R0.3 OC[13CH](O)CO HY-B1659S2 [0,2,0,0,0,0|0,1,0]=3 47 B5R0.3 O[13CH2]C(O)[13CH2]O HY-B1659S4 [0,2,0,0,0,0|0,1,0]=3 48 B5R0.3 O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [0,2,0,0,0,0|0,1,0]=3 49 B5R0.5 CC(N)[13C](=O)O HY-N2362S [0,2,0,0,0,0|0,1,1]=4 50 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [0,2,0,0,0,0|0,1,1]=4 51 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [0,2,0,0,0,0|0,1,1]=4 52 B5R0.5 C[C@H](N)C(N)=O HY-75326 [0,2,0,0,0,0|0,1,1]=4 53 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [0,2,0,0,0,0|0,1,1]=4 54 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [0,2,0,0,0,0|0,1,1]=4 55 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [0,2,0,0,0,0|0,1,1]=4 56 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [0,2,0,0,0,0|0,1,1]=4 57 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [0,2,0,0,0,0|0,1,1]=4 58 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [0,2,0,0,0,0|0,1,1]=4 59 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [0,2,0,0,0,0|0,1,1]=4 60 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [0,2,0,0,0,0|0,1,1]=4 61 B5R0.2 C=CCCCO HY-W010639 [0,2,0,0,0,0|0,1,0]=3 62 B5R1.2 C[C@H]1CCN1 HY-35279 [0,1,0,1,0,0|1,0,0]=3 63 B5R1.1 C1CSCN1 HY-I0144 [0,1,0,1,0,0|0,0,0]=2